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 3hjh_1_A DATA FIRST_RESID 5 DATA SEQUENCE YRYTLPVKAG EQRLLGELTG AACATLVAEI AERHAGPVVL IAPDMQNALR DATA SEQUENCE LHDEISQFTD QMVMNLADWE TLPYDSFSPH QDIISSRLST LYQLPTMQRG DATA SEQUENCE VLIVPVNTLM QRVCPHSFLH GHALVMKKGQ RLSRDALRTQ LDSAGYRHVD DATA SEQUENCE QVMEHGEYAT RGALLDLFPM GSELPYRLDF FDDEIDSLRV FDVDSQRTLE DATA SEQUENCE EVEAINLLPA HEFPTDKAAI ELFRSQWRDT FEVKRDPEHI YQQVSKGTLP DATA SEQUENCE AGIEYWQPLF FSEPLPPLFS YFPANTLLVN TGDLETSAER FQADTLARFE DATA SEQUENCE NRGVDPMRPL LPPQSLWLRV DELFSELKNW PRVQLKTEHL PTKAANANLG DATA SEQUENCE FQKLPDLAVQ AQQKAPLDAL RKFLETFDGP VVFSVESEGR REALGELLAR DATA SEQUENCE IKIAPQRIMR LDEASDRGRY LMIGAAEHGF VDTVRNLALI CESDLL 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 5 Y HA 0.000 nan 4.550 nan 0.000 0.201 5 Y C 0.000 175.846 175.900 -0.089 0.000 1.272 5 Y CA 0.000 58.022 58.100 -0.131 0.000 1.940 5 Y CB 0.000 38.266 38.460 -0.324 0.000 1.050 6 R N 0.745 121.359 120.500 0.189 0.000 2.313 6 R HA 0.098 4.438 4.340 -0.001 0.000 0.199 6 R C -1.098 175.355 176.300 0.256 0.000 0.958 6 R CA 0.388 56.597 56.100 0.181 0.000 1.047 6 R CB 0.053 30.457 30.300 0.173 0.000 0.955 6 R HN 0.528 nan 8.270 nan 0.000 0.481 7 Y N -3.103 117.244 120.300 0.078 0.000 2.552 7 Y HA 0.417 4.967 4.550 -0.001 0.000 0.337 7 Y C -0.470 175.451 175.900 0.035 0.000 1.094 7 Y CA -1.586 56.537 58.100 0.038 0.000 1.028 7 Y CB 0.893 39.361 38.460 0.014 0.000 1.321 7 Y HN -0.120 nan 8.280 nan 0.000 0.456 8 T N 0.927 115.494 114.554 0.021 0.000 2.918 8 T HA 0.644 4.993 4.350 -0.001 0.000 0.283 8 T C -0.393 174.343 174.700 0.060 0.000 1.001 8 T CA -0.902 61.173 62.100 -0.041 0.000 1.041 8 T CB 1.144 70.016 68.868 0.007 0.000 1.028 8 T HN 0.749 nan 8.240 nan 0.000 0.511 9 L N 2.761 123.992 121.223 0.013 0.000 2.326 9 L HA 0.418 4.757 4.340 -0.001 0.000 0.278 9 L C -1.780 175.124 176.870 0.056 0.000 1.092 9 L CA -2.255 52.623 54.840 0.064 0.000 0.810 9 L CB 0.782 42.861 42.059 0.032 0.000 1.153 9 L HN 0.557 nan 8.230 nan 0.000 0.439 10 P HA 0.059 nan 4.420 nan 0.000 0.274 10 P C 0.179 177.509 177.300 0.049 0.000 1.231 10 P CA -0.218 62.911 63.100 0.048 0.000 0.790 10 P CB 1.691 33.418 31.700 0.046 0.000 0.951 11 V N -0.911 119.036 119.914 0.055 0.000 3.229 11 V HA 0.273 4.393 4.120 -0.001 0.000 0.239 11 V C 0.617 176.746 176.094 0.058 0.000 1.390 11 V CA 0.272 62.613 62.300 0.069 0.000 1.231 11 V CB -0.641 31.221 31.823 0.065 0.000 1.025 11 V HN 0.203 nan 8.190 nan 0.000 0.461 12 K N 2.137 122.560 120.400 0.038 0.000 2.295 12 K HA 0.629 4.948 4.320 -0.001 0.000 0.270 12 K C 0.441 177.049 176.600 0.013 0.000 1.011 12 K CA 0.363 56.660 56.287 0.017 0.000 0.953 12 K CB 1.104 33.609 32.500 0.009 0.000 0.956 12 K HN 0.601 nan 8.250 nan 0.000 0.477 13 A N 1.587 124.389 122.820 -0.030 0.000 2.561 13 A HA 0.249 4.568 4.320 -0.001 0.000 0.251 13 A C 1.264 178.838 177.584 -0.016 0.000 1.062 13 A CA 0.966 52.964 52.037 -0.064 0.000 0.761 13 A CB -1.027 17.888 19.000 -0.142 0.000 0.986 13 A HN 0.956 nan 8.150 nan 0.000 0.510 14 G N 1.394 110.211 108.800 0.028 0.000 2.205 14 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.261 14 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.261 14 G C 0.225 175.158 174.900 0.055 0.000 0.980 14 G CA 0.525 45.655 45.100 0.050 0.000 0.632 14 G HN 1.082 nan 8.290 nan 0.000 0.533 15 E N 1.078 121.308 120.200 0.050 0.000 2.290 15 E HA 0.347 4.697 4.350 -0.001 0.000 0.277 15 E C 0.038 176.670 176.600 0.054 0.000 1.035 15 E CA -0.266 56.161 56.400 0.045 0.000 0.873 15 E CB 0.277 30.000 29.700 0.038 0.000 1.029 15 E HN 0.282 nan 8.360 nan 0.000 0.419 16 Q N 2.962 122.790 119.800 0.047 0.000 2.235 16 Q HA 0.411 4.751 4.340 -0.001 0.000 0.256 16 Q C -0.677 175.343 176.000 0.034 0.000 0.951 16 Q CA -0.618 55.211 55.803 0.044 0.000 0.890 16 Q CB 1.846 30.609 28.738 0.042 0.000 1.279 16 Q HN 0.352 nan 8.270 nan 0.000 0.444 17 R N 1.405 121.920 120.500 0.025 0.000 2.513 17 R HA 0.498 4.838 4.340 -0.001 0.000 0.301 17 R C -1.575 174.714 176.300 -0.019 0.000 0.968 17 R CA -0.513 55.596 56.100 0.015 0.000 0.872 17 R CB 0.746 31.069 30.300 0.039 0.000 1.177 17 R HN 0.396 nan 8.270 nan 0.000 0.444 18 L N 5.363 126.569 121.223 -0.028 0.000 2.280 18 L HA 0.497 4.837 4.340 -0.001 0.000 0.287 18 L C -0.813 176.002 176.870 -0.090 0.000 1.023 18 L CA -0.091 54.719 54.840 -0.050 0.000 0.819 18 L CB 1.387 43.428 42.059 -0.030 0.000 1.212 18 L HN 0.478 nan 8.230 nan 0.000 0.420 19 L N 3.162 124.305 121.223 -0.134 0.000 2.296 19 L HA 0.803 5.142 4.340 -0.001 0.000 0.286 19 L C 0.598 177.393 176.870 -0.126 0.000 1.023 19 L CA -0.382 54.350 54.840 -0.180 0.000 0.812 19 L CB 1.510 43.386 42.059 -0.305 0.000 1.223 19 L HN 0.698 nan 8.230 nan 0.000 0.421 20 G N 0.550 109.284 108.800 -0.109 0.000 3.013 20 G HA2 0.471 4.431 3.960 -0.001 0.000 0.278 20 G HA3 0.471 4.431 3.960 -0.001 0.000 0.278 20 G C -0.365 174.503 174.900 -0.053 0.000 1.353 20 G CA -0.415 44.635 45.100 -0.084 0.000 1.043 20 G HN 0.694 nan 8.290 nan 0.000 0.523 21 E N -1.429 118.758 120.200 -0.022 0.000 2.271 21 E HA -0.162 4.187 4.350 -0.001 0.000 0.223 21 E C -0.629 176.036 176.600 0.109 0.000 1.223 21 E CA 0.055 56.483 56.400 0.046 0.000 0.704 21 E CB -1.124 28.590 29.700 0.023 0.000 1.194 21 E HN 0.324 nan 8.360 nan 0.000 0.375 22 L N 0.039 121.273 121.223 0.020 0.000 2.334 22 L HA 0.685 5.024 4.340 -0.001 0.000 0.276 22 L C 0.297 177.113 176.870 -0.090 0.000 1.014 22 L CA -0.515 54.266 54.840 -0.098 0.000 0.815 22 L CB 2.158 44.104 42.059 -0.188 0.000 1.268 22 L HN 0.024 nan 8.230 nan 0.000 0.428 23 T N 0.694 115.152 114.554 -0.160 0.000 2.923 23 T HA 0.603 4.953 4.350 -0.001 0.000 0.311 23 T C 0.210 174.889 174.700 -0.034 0.000 1.183 23 T CA 0.503 62.571 62.100 -0.053 0.000 1.020 23 T CB 1.473 70.364 68.868 0.039 0.000 1.165 23 T HN 1.023 nan 8.240 nan 0.000 0.482 24 G N 2.819 111.635 108.800 0.027 0.000 2.622 24 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.307 24 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.307 24 G C 1.251 176.199 174.900 0.079 0.000 1.226 24 G CA 0.664 45.829 45.100 0.110 0.000 0.997 24 G HN 1.752 nan 8.290 nan 0.000 0.551 25 A N 0.357 123.291 122.820 0.190 0.000 2.235 25 A HA 0.551 4.871 4.320 -0.001 0.000 0.208 25 A C 2.735 180.308 177.584 -0.019 0.000 1.172 25 A CA 1.912 54.051 52.037 0.170 0.000 0.786 25 A CB -0.741 18.437 19.000 0.297 0.000 0.804 25 A HN 2.155 nan 8.150 nan 0.000 0.479 26 A N -0.624 122.010 122.820 -0.309 0.000 1.948 26 A HA -0.233 4.087 4.320 -0.001 0.000 0.220 26 A C 2.231 179.413 177.584 -0.670 0.000 1.177 26 A CA 1.824 53.224 52.037 -1.060 0.000 0.636 26 A CB -1.274 16.552 19.000 -1.957 0.000 0.815 26 A HN 0.597 nan 8.150 nan 0.000 0.449 27 C N -1.191 117.876 119.300 -0.388 0.000 2.413 27 C HA 0.019 4.478 4.460 -0.001 0.000 0.276 27 C C 3.327 178.218 174.990 -0.165 0.000 1.248 27 C CA 0.829 59.701 59.018 -0.243 0.000 1.742 27 C CB -1.411 26.241 27.740 -0.147 0.000 2.017 27 C HN 0.723 nan 8.230 nan 0.000 0.481 28 A N 1.115 123.876 122.820 -0.098 0.000 1.902 28 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 28 A C 2.300 179.859 177.584 -0.041 0.000 1.181 28 A CA 2.733 54.782 52.037 0.020 0.000 0.623 28 A CB -1.281 17.843 19.000 0.207 0.000 0.818 28 A HN 0.698 nan 8.150 nan 0.000 0.443 29 T N -2.086 112.270 114.554 -0.329 0.000 2.788 29 T HA -0.112 4.238 4.350 -0.001 0.000 0.268 29 T C 1.773 176.371 174.700 -0.169 0.000 1.044 29 T CA 1.436 63.272 62.100 -0.439 0.000 1.139 29 T CB -0.370 68.135 68.868 -0.604 0.000 0.867 29 T HN 0.117 nan 8.240 nan 0.000 0.454 30 L N 0.917 122.035 121.223 -0.176 0.000 2.056 30 L HA 0.049 4.388 4.340 -0.001 0.000 0.207 30 L C 2.966 179.807 176.870 -0.049 0.000 1.078 30 L CA 1.219 56.003 54.840 -0.093 0.000 0.749 30 L CB -1.176 40.793 42.059 -0.150 0.000 0.901 30 L HN 0.260 nan 8.230 nan 0.000 0.433 31 V N 0.129 120.010 119.914 -0.055 0.000 2.407 31 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 31 V C 2.818 178.915 176.094 0.005 0.000 1.055 31 V CA 1.442 63.725 62.300 -0.028 0.000 1.049 31 V CB -0.978 30.829 31.823 -0.027 0.000 0.662 31 V HN 0.463 nan 8.190 nan 0.000 0.455 32 A N -0.251 122.588 122.820 0.031 0.000 1.902 32 A HA -0.275 4.045 4.320 -0.001 0.000 0.217 32 A C 2.303 179.917 177.584 0.050 0.000 1.181 32 A CA 1.988 54.065 52.037 0.065 0.000 0.623 32 A CB -0.505 18.579 19.000 0.139 0.000 0.818 32 A HN 0.618 nan 8.150 nan 0.000 0.443 33 E N -0.288 119.935 120.200 0.040 0.000 2.077 33 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 33 E C 1.846 178.439 176.600 -0.012 0.000 0.989 33 E CA 1.337 57.754 56.400 0.030 0.000 0.800 33 E CB -0.229 29.505 29.700 0.056 0.000 0.746 33 E HN 0.648 nan 8.360 nan 0.000 0.452 34 I N 0.887 121.462 120.570 0.008 0.000 2.226 34 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 34 I C 2.502 178.637 176.117 0.030 0.000 1.100 34 I CA 1.086 62.392 61.300 0.010 0.000 1.374 34 I CB -0.233 37.773 38.000 0.010 0.000 1.057 34 I HN 0.189 nan 8.210 nan 0.000 0.413 35 A N 0.139 122.977 122.820 0.031 0.000 1.930 35 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 35 A C 2.197 179.810 177.584 0.050 0.000 1.175 35 A CA 1.612 53.680 52.037 0.052 0.000 0.627 35 A CB -0.495 18.524 19.000 0.032 0.000 0.815 35 A HN 0.436 nan 8.150 nan 0.000 0.443 36 E N -0.663 119.556 120.200 0.032 0.000 2.107 36 E HA -0.115 4.235 4.350 -0.001 0.000 0.191 36 E C 2.322 178.928 176.600 0.009 0.000 0.982 36 E CA 0.853 57.269 56.400 0.025 0.000 0.809 36 E CB -0.081 29.642 29.700 0.038 0.000 0.756 36 E HN 0.529 nan 8.360 nan 0.000 0.459 37 R N -0.110 120.379 120.500 -0.018 0.000 2.093 37 R HA -0.023 4.316 4.340 -0.001 0.000 0.224 37 R C 0.870 177.180 176.300 0.017 0.000 1.101 37 R CA 0.495 56.565 56.100 -0.051 0.000 0.979 37 R CB -0.209 29.977 30.300 -0.190 0.000 0.877 37 R HN 0.135 nan 8.270 nan 0.000 0.441 38 H N 0.491 119.531 119.070 -0.050 0.000 2.742 38 H HA 0.283 4.839 4.556 -0.001 0.000 0.302 38 H C -0.944 174.374 175.328 -0.017 0.000 1.069 38 H CA -0.810 55.221 56.048 -0.029 0.000 1.446 38 H CB 0.855 30.604 29.762 -0.022 0.000 1.462 38 H HN 0.146 nan 8.280 nan 0.000 0.499 39 A N 4.727 127.289 122.820 -0.430 0.000 2.539 39 A HA 0.584 4.904 4.320 -0.001 0.000 0.306 39 A C 0.565 177.770 177.584 -0.631 0.000 1.392 39 A CA 0.565 52.380 52.037 -0.369 0.000 1.060 39 A CB -0.900 17.980 19.000 -0.200 0.000 1.134 39 A HN 1.144 nan 8.150 nan 0.000 0.542 40 G N 2.566 111.091 108.800 -0.458 0.000 2.359 40 G HA2 0.332 4.291 3.960 -0.001 0.000 0.314 40 G HA3 0.332 4.291 3.960 -0.001 0.000 0.314 40 G C -3.604 171.294 174.900 -0.003 0.000 1.364 40 G CA -0.544 44.385 45.100 -0.284 0.000 0.978 40 G HN 0.475 nan 8.290 nan 0.000 0.615 41 P HA 0.586 nan 4.420 nan 0.000 0.279 41 P C -0.544 176.801 177.300 0.076 0.000 1.252 41 P CA -0.434 62.695 63.100 0.048 0.000 0.811 41 P CB 1.887 33.567 31.700 -0.033 0.000 1.035 42 V N 2.048 121.947 119.914 -0.026 0.000 2.495 42 V HA 0.273 4.392 4.120 -0.001 0.000 0.298 42 V C 0.083 176.047 176.094 -0.218 0.000 1.031 42 V CA -0.756 61.473 62.300 -0.117 0.000 0.871 42 V CB 2.197 33.977 31.823 -0.073 0.000 0.988 42 V HN 0.243 nan 8.190 nan 0.000 0.432 43 V N 5.900 125.616 119.914 -0.330 0.000 2.357 43 V HA 0.405 4.525 4.120 -0.001 0.000 0.284 43 V C -0.369 175.563 176.094 -0.269 0.000 1.018 43 V CA -0.524 61.533 62.300 -0.404 0.000 0.841 43 V CB 1.530 32.887 31.823 -0.776 0.000 0.991 43 V HN 0.665 nan 8.190 nan 0.000 0.437 44 L N 7.735 128.842 121.223 -0.193 0.000 2.257 44 L HA 0.593 4.932 4.340 -0.001 0.000 0.290 44 L C -0.349 176.444 176.870 -0.129 0.000 1.044 44 L CA 0.338 55.098 54.840 -0.133 0.000 0.810 44 L CB 0.777 42.782 42.059 -0.090 0.000 1.193 44 L HN 0.536 nan 8.230 nan 0.000 0.425 45 I N 6.026 126.529 120.570 -0.111 0.000 2.297 45 I HA 0.513 4.682 4.170 -0.001 0.000 0.291 45 I C 0.424 176.497 176.117 -0.072 0.000 1.033 45 I CA -0.282 60.959 61.300 -0.099 0.000 1.253 45 I CB 1.109 39.058 38.000 -0.084 0.000 1.396 45 I HN 0.785 nan 8.210 nan 0.000 0.476 46 A N 9.010 131.786 122.820 -0.074 0.000 2.295 46 A HA 0.646 4.965 4.320 -0.001 0.000 0.318 46 A C -1.652 175.899 177.584 -0.056 0.000 1.134 46 A CA -1.568 50.436 52.037 -0.055 0.000 0.827 46 A CB 0.465 19.436 19.000 -0.049 0.000 1.136 46 A HN 0.532 nan 8.150 nan 0.000 0.493 47 P HA -0.043 nan 4.420 nan 0.000 0.220 47 P C -0.220 177.052 177.300 -0.046 0.000 1.148 47 P CA 1.680 64.763 63.100 -0.029 0.000 0.803 47 P CB -0.137 31.557 31.700 -0.009 0.000 0.782 48 D N -4.116 116.255 120.400 -0.048 0.000 2.692 48 D HA 0.135 4.774 4.640 -0.001 0.000 0.303 48 D C 0.892 177.161 176.300 -0.052 0.000 1.278 48 D CA -0.842 53.126 54.000 -0.054 0.000 0.852 48 D CB -0.203 40.582 40.800 -0.025 0.000 1.375 48 D HN -0.322 nan 8.370 nan 0.000 0.453 49 M N -0.495 119.076 119.600 -0.048 0.000 2.175 49 M HA -0.146 4.333 4.480 -0.001 0.000 0.264 49 M C 1.533 177.820 176.300 -0.022 0.000 1.063 49 M CA 1.834 57.110 55.300 -0.040 0.000 1.119 49 M CB -0.361 32.222 32.600 -0.029 0.000 1.377 49 M HN 0.456 nan 8.290 nan 0.000 0.415 50 Q N 0.044 119.838 119.800 -0.010 0.000 2.084 50 Q HA -0.099 4.241 4.340 -0.001 0.000 0.202 50 Q C 1.674 177.675 176.000 0.001 0.000 0.978 50 Q CA 1.364 57.167 55.803 -0.000 0.000 0.844 50 Q CB -0.359 28.383 28.738 0.007 0.000 0.898 50 Q HN 0.506 nan 8.270 nan 0.000 0.426 51 N N 0.139 118.837 118.700 -0.004 0.000 2.188 51 N HA -0.080 4.659 4.740 -0.001 0.000 0.184 51 N C 1.632 177.140 175.510 -0.003 0.000 1.018 51 N CA 1.227 54.276 53.050 -0.002 0.000 0.858 51 N CB -0.104 38.378 38.487 -0.007 0.000 0.989 51 N HN 0.286 nan 8.380 nan 0.000 0.426 52 A N 1.343 124.153 122.820 -0.017 0.000 1.930 52 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 52 A C 2.133 179.723 177.584 0.009 0.000 1.175 52 A CA 0.861 52.886 52.037 -0.019 0.000 0.627 52 A CB -0.284 18.686 19.000 -0.051 0.000 0.815 52 A HN 0.099 nan 8.150 nan 0.000 0.443 53 L N -0.788 120.440 121.223 0.009 0.000 2.131 53 L HA 0.001 4.340 4.340 -0.001 0.000 0.206 53 L C 2.541 179.452 176.870 0.069 0.000 1.087 53 L CA 1.349 56.210 54.840 0.035 0.000 0.767 53 L CB -1.171 40.893 42.059 0.009 0.000 0.917 53 L HN 0.474 nan 8.230 nan 0.000 0.441 54 R N 0.302 120.826 120.500 0.039 0.000 2.081 54 R HA -0.137 4.202 4.340 -0.001 0.000 0.235 54 R C 2.280 178.604 176.300 0.041 0.000 1.131 54 R CA 1.204 57.324 56.100 0.033 0.000 0.960 54 R CB -0.193 30.120 30.300 0.023 0.000 0.856 54 R HN 0.302 nan 8.270 nan 0.000 0.436 55 L N -0.562 120.687 121.223 0.044 0.000 2.141 55 L HA -0.162 4.177 4.340 -0.001 0.000 0.209 55 L C 2.546 179.452 176.870 0.059 0.000 1.094 55 L CA 1.312 56.178 54.840 0.043 0.000 0.763 55 L CB -0.564 41.509 42.059 0.023 0.000 0.908 55 L HN 0.320 nan 8.230 nan 0.000 0.437 56 H N 0.478 119.538 119.070 -0.016 0.000 2.290 56 H HA -0.208 4.348 4.556 -0.001 0.000 0.298 56 H C 1.790 177.108 175.328 -0.018 0.000 1.087 56 H CA 2.219 58.255 56.048 -0.020 0.000 1.291 56 H CB 0.007 29.752 29.762 -0.028 0.000 1.369 56 H HN 0.231 nan 8.280 nan 0.000 0.492 57 D N 0.050 120.370 120.400 -0.134 0.000 2.149 57 D HA -0.094 4.545 4.640 -0.001 0.000 0.201 57 D C 2.084 178.289 176.300 -0.157 0.000 0.972 57 D CA 1.081 54.963 54.000 -0.197 0.000 0.835 57 D CB -0.150 40.609 40.800 -0.068 0.000 0.966 57 D HN 0.616 nan 8.370 nan 0.000 0.476 58 E N 0.212 120.374 120.200 -0.064 0.000 2.046 58 E HA -0.043 4.307 4.350 -0.001 0.000 0.190 58 E C 2.327 178.953 176.600 0.044 0.000 0.982 58 E CA 0.340 56.740 56.400 0.001 0.000 0.800 58 E CB 0.022 29.784 29.700 0.103 0.000 0.756 58 E HN 0.258 nan 8.360 nan 0.000 0.449 59 I N 1.048 121.654 120.570 0.060 0.000 2.361 59 I HA -0.250 3.919 4.170 -0.001 0.000 0.251 59 I C 2.378 178.499 176.117 0.007 0.000 1.133 59 I CA 0.671 62.035 61.300 0.108 0.000 1.413 59 I CB -0.138 37.894 38.000 0.053 0.000 1.073 59 I HN -0.018 nan 8.210 nan 0.000 0.424 60 S N -0.007 115.615 115.700 -0.130 0.000 2.383 60 S HA -0.284 4.185 4.470 -0.001 0.000 0.229 60 S C 1.967 176.451 174.600 -0.194 0.000 1.030 60 S CA 1.337 59.433 58.200 -0.173 0.000 1.002 60 S CB -0.299 62.736 63.200 -0.275 0.000 0.829 60 S HN 0.487 nan 8.310 nan 0.000 0.467 61 Q N -0.249 119.351 119.800 -0.333 0.000 2.135 61 Q HA -0.107 4.232 4.340 -0.001 0.000 0.204 61 Q C 0.805 176.497 176.000 -0.513 0.000 0.981 61 Q CA 1.513 56.988 55.803 -0.546 0.000 0.856 61 Q CB -0.090 28.070 28.738 -0.964 0.000 0.902 61 Q HN 0.639 nan 8.270 nan 0.000 0.425 62 F N -0.765 119.182 119.950 -0.005 0.000 2.664 62 F HA 0.268 4.795 4.527 -0.001 0.000 0.303 62 F C 0.424 176.232 175.800 0.013 0.000 1.092 62 F CA -0.189 57.821 58.000 0.015 0.000 1.305 62 F CB 1.218 40.237 39.000 0.031 0.000 1.054 62 F HN -0.129 nan 8.300 nan 0.000 0.565 63 T N -1.224 113.392 114.554 0.104 0.000 2.853 63 T HA 0.177 4.527 4.350 -0.001 0.000 0.311 63 T C -0.355 174.358 174.700 0.022 0.000 1.307 63 T CA -0.587 61.555 62.100 0.071 0.000 1.019 63 T CB 1.540 70.452 68.868 0.073 0.000 1.264 63 T HN -0.042 nan 8.240 nan 0.000 0.497 64 D N 1.500 121.914 120.400 0.023 0.000 2.369 64 D HA 0.121 4.760 4.640 -0.001 0.000 0.211 64 D C 0.454 176.761 176.300 0.011 0.000 1.077 64 D CA 0.106 54.112 54.000 0.010 0.000 0.842 64 D CB 0.743 41.551 40.800 0.013 0.000 0.947 64 D HN 0.466 nan 8.370 nan 0.000 0.509 65 Q N 0.466 120.276 119.800 0.017 0.000 2.421 65 Q HA 0.073 4.412 4.340 -0.001 0.000 0.255 65 Q C 0.225 176.232 176.000 0.012 0.000 1.013 65 Q CA -0.050 55.762 55.803 0.015 0.000 0.895 65 Q CB 0.709 29.459 28.738 0.019 0.000 1.271 65 Q HN -0.086 nan 8.270 nan 0.000 0.460 66 M N 1.792 121.401 119.600 0.014 0.000 2.239 66 M HA 0.133 4.613 4.480 -0.001 0.000 0.348 66 M C -0.874 175.442 176.300 0.026 0.000 1.239 66 M CA 0.208 55.521 55.300 0.021 0.000 1.114 66 M CB 0.167 32.781 32.600 0.024 0.000 1.641 66 M HN 0.277 nan 8.290 nan 0.000 0.453 67 V N 5.675 125.617 119.914 0.047 0.000 2.443 67 V HA 0.561 4.681 4.120 -0.001 0.000 0.293 67 V C -0.141 176.072 176.094 0.198 0.000 1.021 67 V CA -0.496 61.855 62.300 0.084 0.000 0.848 67 V CB 1.578 33.416 31.823 0.025 0.000 0.998 67 V HN 0.873 nan 8.190 nan 0.000 0.424 68 M N 3.858 123.529 119.600 0.119 0.000 2.572 68 M HA 0.533 5.013 4.480 -0.001 0.000 0.299 68 M C -0.698 175.567 176.300 -0.058 0.000 1.205 68 M CA -0.467 54.849 55.300 0.028 0.000 0.876 68 M CB 2.569 35.166 32.600 -0.005 0.000 1.728 68 M HN 0.509 nan 8.290 nan 0.000 0.458 69 N N 1.502 120.091 118.700 -0.184 0.000 2.372 69 N HA 0.420 5.159 4.740 -0.001 0.000 0.291 69 N C -1.591 173.833 175.510 -0.143 0.000 1.024 69 N CA -0.704 52.237 53.050 -0.181 0.000 0.873 69 N CB 2.399 40.727 38.487 -0.265 0.000 1.206 69 N HN 0.433 nan 8.380 nan 0.000 0.486 70 L N 3.045 124.191 121.223 -0.129 0.000 2.407 70 L HA 0.260 4.600 4.340 -0.001 0.000 0.282 70 L C 0.112 176.908 176.870 -0.124 0.000 1.110 70 L CA -0.115 54.650 54.840 -0.125 0.000 0.863 70 L CB -0.246 41.725 42.059 -0.145 0.000 1.207 70 L HN 0.535 nan 8.230 nan 0.000 0.454 71 A N 4.125 126.885 122.820 -0.101 0.000 2.488 71 A HA 0.194 4.514 4.320 -0.001 0.000 0.249 71 A C 0.060 177.609 177.584 -0.059 0.000 1.083 71 A CA -0.371 51.621 52.037 -0.076 0.000 0.768 71 A CB -0.172 18.795 19.000 -0.054 0.000 1.017 71 A HN 0.821 nan 8.150 nan 0.000 0.496 72 D N 1.654 122.025 120.400 -0.047 0.000 2.362 72 D HA 0.140 4.780 4.640 -0.001 0.000 0.242 72 D C 0.637 177.016 176.300 0.130 0.000 1.132 72 D CA -0.126 53.858 54.000 -0.028 0.000 0.907 72 D CB 0.294 41.081 40.800 -0.021 0.000 1.195 72 D HN 0.558 nan 8.370 nan 0.000 0.429 73 W N 1.452 122.772 121.300 0.033 0.000 2.331 73 W HA -0.107 4.553 4.660 -0.001 0.000 0.291 73 W C 1.036 177.613 176.519 0.095 0.000 1.214 73 W CA 1.116 58.498 57.345 0.061 0.000 1.228 73 W CB -0.743 28.764 29.460 0.078 0.000 1.135 73 W HN 0.698 nan 8.180 nan 0.000 0.537 74 E N -1.710 118.684 120.200 0.322 0.000 3.496 74 E HA -0.205 4.144 4.350 -0.001 0.000 0.300 74 E C 0.355 177.115 176.600 0.267 0.000 0.877 74 E CA 0.922 57.459 56.400 0.228 0.000 1.050 74 E CB -1.722 28.067 29.700 0.148 0.000 1.532 74 E HN 0.268 nan 8.360 nan 0.000 0.447 75 T N -1.552 113.223 114.554 0.369 0.000 2.927 75 T HA 0.602 4.951 4.350 -0.001 0.000 0.281 75 T C 0.227 175.141 174.700 0.357 0.000 0.998 75 T CA -1.041 61.281 62.100 0.369 0.000 1.019 75 T CB 1.692 70.835 68.868 0.457 0.000 1.061 75 T HN -0.018 nan 8.240 nan 0.000 0.518 76 L N 1.869 123.229 121.223 0.229 0.000 2.418 76 L HA 0.428 4.767 4.340 -0.001 0.000 0.265 76 L C -2.187 174.686 176.870 0.004 0.000 1.143 76 L CA -2.325 52.597 54.840 0.137 0.000 0.809 76 L CB -0.295 41.799 42.059 0.059 0.000 1.124 76 L HN 0.518 nan 8.230 nan 0.000 0.456 77 P HA -0.036 nan 4.420 nan 0.000 0.262 77 P C -0.957 176.021 177.300 -0.536 0.000 1.182 77 P CA 0.397 63.253 63.100 -0.407 0.000 0.761 77 P CB -0.116 31.349 31.700 -0.392 0.000 0.795 78 Y N -0.631 119.030 120.300 -1.066 0.000 3.689 78 Y HA -0.271 4.279 4.550 -0.001 0.000 0.221 78 Y C 0.909 176.548 175.900 -0.435 0.000 1.247 78 Y CA 0.177 57.879 58.100 -0.663 0.000 1.671 78 Y CB -2.090 36.202 38.460 -0.281 0.000 1.521 78 Y HN 0.409 nan 8.280 nan 0.000 0.632 79 D N 0.357 120.524 120.400 -0.387 0.000 2.423 79 D HA 0.116 4.755 4.640 -0.001 0.000 0.238 79 D C 0.923 177.155 176.300 -0.114 0.000 1.142 79 D CA 0.789 54.695 54.000 -0.155 0.000 0.884 79 D CB 1.193 42.023 40.800 0.051 0.000 1.199 79 D HN 0.330 nan 8.370 nan 0.000 0.438 80 S N 1.837 117.314 115.700 -0.372 0.000 2.603 80 S HA 0.002 4.472 4.470 -0.001 0.000 0.229 80 S C 0.120 174.639 174.600 -0.136 0.000 0.972 80 S CA 0.170 58.185 58.200 -0.310 0.000 0.935 80 S CB -0.045 62.885 63.200 -0.449 0.000 0.769 80 S HN 0.298 nan 8.310 nan 0.000 0.536 81 F N 0.898 120.934 119.950 0.144 0.000 2.556 81 F HA 0.608 5.134 4.527 -0.001 0.000 0.327 81 F C 0.540 176.411 175.800 0.119 0.000 1.059 81 F CA -2.060 56.009 58.000 0.115 0.000 0.953 81 F CB 0.820 39.876 39.000 0.094 0.000 1.227 81 F HN -0.284 nan 8.300 nan 0.000 0.478 82 S N 1.240 117.100 115.700 0.267 0.000 2.617 82 S HA 0.617 5.087 4.470 -0.001 0.000 0.283 82 S C -2.510 172.131 174.600 0.068 0.000 1.189 82 S CA -1.117 57.143 58.200 0.100 0.000 1.036 82 S CB 1.289 64.525 63.200 0.059 0.000 1.014 82 S HN 0.251 nan 8.310 nan 0.000 0.522 83 P HA 0.106 nan 4.420 nan 0.000 0.269 83 P C -0.548 176.780 177.300 0.048 0.000 1.215 83 P CA -0.126 62.983 63.100 0.015 0.000 0.780 83 P CB 0.169 31.801 31.700 -0.113 0.000 0.898 84 H N 1.488 120.557 119.070 -0.001 0.000 3.034 84 H HA -0.078 4.477 4.556 -0.001 0.000 0.324 84 H C 1.407 176.704 175.328 -0.053 0.000 1.015 84 H CA -0.051 55.986 56.048 -0.018 0.000 1.429 84 H CB 0.871 30.633 29.762 0.000 0.000 1.429 84 H HN 0.360 nan 8.280 nan 0.000 0.585 85 Q N 2.564 122.352 119.800 -0.020 0.000 2.234 85 Q HA -0.187 4.153 4.340 -0.001 0.000 0.206 85 Q C 1.015 177.019 176.000 0.006 0.000 0.980 85 Q CA 1.981 57.758 55.803 -0.044 0.000 0.869 85 Q CB 0.036 28.703 28.738 -0.119 0.000 0.912 85 Q HN 0.696 nan 8.270 nan 0.000 0.436 86 D N 0.394 120.944 120.400 0.250 0.000 2.178 86 D HA -0.037 4.603 4.640 -0.001 0.000 0.202 86 D C 1.845 178.092 176.300 -0.088 0.000 0.974 86 D CA 0.923 54.953 54.000 0.049 0.000 0.841 86 D CB -0.064 40.803 40.800 0.111 0.000 0.953 86 D HN 0.350 nan 8.370 nan 0.000 0.478 87 I N 0.696 121.262 120.570 -0.007 0.000 2.252 87 I HA -0.210 3.960 4.170 -0.001 0.000 0.245 87 I C 2.076 178.187 176.117 -0.009 0.000 1.102 87 I CA 0.455 61.747 61.300 -0.013 0.000 1.385 87 I CB 0.044 38.079 38.000 0.058 0.000 1.064 87 I HN -0.029 nan 8.210 nan 0.000 0.414 88 I N 0.015 120.568 120.570 -0.029 0.000 2.252 88 I HA -0.255 3.915 4.170 -0.001 0.000 0.245 88 I C 2.764 178.805 176.117 -0.128 0.000 1.102 88 I CA 1.357 62.630 61.300 -0.046 0.000 1.385 88 I CB -1.397 36.532 38.000 -0.118 0.000 1.064 88 I HN 0.189 nan 8.210 nan 0.000 0.414 89 S N 0.131 115.670 115.700 -0.269 0.000 2.359 89 S HA -0.215 4.255 4.470 -0.001 0.000 0.224 89 S C 2.395 176.866 174.600 -0.216 0.000 1.035 89 S CA 2.200 60.175 58.200 -0.375 0.000 1.018 89 S CB -0.265 62.362 63.200 -0.956 0.000 0.876 89 S HN 0.489 nan 8.310 nan 0.000 0.448 90 S N 0.588 116.180 115.700 -0.180 0.000 2.356 90 S HA -0.063 4.407 4.470 -0.001 0.000 0.223 90 S C 2.064 176.634 174.600 -0.050 0.000 1.032 90 S CA 1.195 59.337 58.200 -0.097 0.000 1.005 90 S CB -0.373 62.772 63.200 -0.091 0.000 0.867 90 S HN 0.584 nan 8.310 nan 0.000 0.449 91 R N 0.160 120.639 120.500 -0.035 0.000 2.073 91 R HA 0.011 4.351 4.340 -0.001 0.000 0.234 91 R C 2.405 178.714 176.300 0.015 0.000 1.134 91 R CA 1.700 57.794 56.100 -0.009 0.000 0.952 91 R CB -0.537 29.786 30.300 0.038 0.000 0.850 91 R HN 0.416 nan 8.270 nan 0.000 0.433 92 L N -0.127 121.106 121.223 0.017 0.000 2.046 92 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 92 L C 2.678 179.601 176.870 0.088 0.000 1.077 92 L CA 1.268 56.136 54.840 0.045 0.000 0.747 92 L CB -0.485 41.565 42.059 -0.015 0.000 0.896 92 L HN 0.225 nan 8.230 nan 0.000 0.432 93 S N -0.804 114.930 115.700 0.057 0.000 2.356 93 S HA -0.207 4.263 4.470 -0.001 0.000 0.223 93 S C 2.022 176.709 174.600 0.146 0.000 1.032 93 S CA 2.148 60.413 58.200 0.109 0.000 1.005 93 S CB -0.245 62.991 63.200 0.061 0.000 0.867 93 S HN 0.431 nan 8.310 nan 0.000 0.449 94 T N 2.660 117.262 114.554 0.080 0.000 2.737 94 T HA 0.061 4.411 4.350 -0.001 0.000 0.265 94 T C 1.786 176.545 174.700 0.099 0.000 1.038 94 T CA 1.424 63.560 62.100 0.060 0.000 1.144 94 T CB -0.412 68.452 68.868 -0.007 0.000 0.866 94 T HN 0.300 nan 8.240 nan 0.000 0.434 95 L N -0.406 120.877 121.223 0.099 0.000 2.046 95 L HA -0.100 4.240 4.340 -0.001 0.000 0.208 95 L C 2.409 179.572 176.870 0.490 0.000 1.077 95 L CA 1.460 56.385 54.840 0.141 0.000 0.747 95 L CB -0.532 41.556 42.059 0.048 0.000 0.896 95 L HN 0.248 nan 8.230 nan 0.000 0.432 96 Y N 1.665 122.127 120.300 0.271 0.000 2.224 96 Y HA -0.317 4.233 4.550 -0.001 0.000 0.289 96 Y C 2.612 178.729 175.900 0.360 0.000 1.146 96 Y CA 2.013 60.292 58.100 0.298 0.000 1.182 96 Y CB -0.198 38.344 38.460 0.137 0.000 0.983 96 Y HN 0.401 nan 8.280 nan 0.000 0.524 97 Q N -0.697 119.220 119.800 0.194 0.000 2.424 97 Q HA 0.030 4.369 4.340 -0.001 0.000 0.204 97 Q C 1.852 177.882 176.000 0.050 0.000 0.933 97 Q CA 1.035 56.869 55.803 0.052 0.000 0.929 97 Q CB -0.779 28.008 28.738 0.082 0.000 1.037 97 Q HN 0.554 nan 8.270 nan 0.000 0.511 98 L N 0.512 121.817 121.223 0.137 0.000 2.012 98 L HA -0.070 4.269 4.340 -0.001 0.000 0.210 98 L C -0.623 176.294 176.870 0.078 0.000 1.073 98 L CA 1.348 56.266 54.840 0.130 0.000 0.748 98 L CB -0.889 41.309 42.059 0.232 0.000 0.891 98 L HN 0.234 nan 8.230 nan 0.000 0.431 99 P HA -0.132 nan 4.420 nan 0.000 0.221 99 P C 1.038 178.287 177.300 -0.086 0.000 1.145 99 P CA 1.617 64.658 63.100 -0.099 0.000 0.795 99 P CB -0.153 31.314 31.700 -0.388 0.000 0.775 100 T N -6.453 108.050 114.554 -0.085 0.000 3.054 100 T HA 0.254 4.604 4.350 -0.001 0.000 0.255 100 T C 0.588 175.268 174.700 -0.032 0.000 1.035 100 T CA -0.331 61.729 62.100 -0.066 0.000 0.941 100 T CB -0.638 68.178 68.868 -0.087 0.000 1.026 100 T HN -0.050 nan 8.240 nan 0.000 0.533 101 M N 2.429 122.019 119.600 -0.017 0.000 2.284 101 M HA 0.086 4.566 4.480 -0.001 0.000 0.351 101 M C 0.950 177.243 176.300 -0.012 0.000 1.443 101 M CA 0.451 55.745 55.300 -0.011 0.000 1.031 101 M CB 0.640 33.233 32.600 -0.012 0.000 1.893 101 M HN 0.248 nan 8.290 nan 0.000 0.456 102 Q N 3.505 123.297 119.800 -0.014 0.000 2.387 102 Q HA 0.213 4.553 4.340 -0.001 0.000 0.212 102 Q C 0.085 176.070 176.000 -0.025 0.000 0.925 102 Q CA 0.356 56.148 55.803 -0.020 0.000 0.901 102 Q CB 0.672 29.398 28.738 -0.021 0.000 1.020 102 Q HN 0.626 nan 8.270 nan 0.000 0.545 103 R N -0.469 120.021 120.500 -0.016 0.000 2.885 103 R HA 0.670 5.009 4.340 -0.001 0.000 0.260 103 R C 0.033 176.331 176.300 -0.003 0.000 1.107 103 R CA 0.094 56.188 56.100 -0.011 0.000 0.978 103 R CB 1.008 31.301 30.300 -0.012 0.000 1.227 103 R HN 0.301 nan 8.270 nan 0.000 0.473 104 G N -0.525 108.278 108.800 0.005 0.000 2.610 104 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.304 104 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.304 104 G C -1.530 173.364 174.900 -0.011 0.000 1.309 104 G CA -0.541 44.560 45.100 0.002 0.000 0.906 104 G HN 0.406 nan 8.290 nan 0.000 0.521 105 V N 0.299 120.203 119.914 -0.016 0.000 2.483 105 V HA 0.657 4.776 4.120 -0.001 0.000 0.297 105 V C -0.205 175.860 176.094 -0.049 0.000 1.027 105 V CA -0.596 61.681 62.300 -0.038 0.000 0.855 105 V CB 1.450 33.263 31.823 -0.016 0.000 0.995 105 V HN 1.116 nan 8.190 nan 0.000 0.424 106 L N 6.832 127.992 121.223 -0.105 0.000 2.287 106 L HA 0.660 4.999 4.340 -0.001 0.000 0.287 106 L C -0.530 176.258 176.870 -0.137 0.000 1.022 106 L CA 0.133 54.901 54.840 -0.120 0.000 0.814 106 L CB 1.116 43.072 42.059 -0.171 0.000 1.217 106 L HN 0.549 nan 8.230 nan 0.000 0.420 107 I N 5.928 126.440 120.570 -0.097 0.000 2.336 107 I HA 0.453 4.623 4.170 -0.001 0.000 0.292 107 I C -0.792 175.253 176.117 -0.121 0.000 0.991 107 I CA -0.741 60.502 61.300 -0.095 0.000 1.227 107 I CB 1.525 39.500 38.000 -0.042 0.000 1.366 107 I HN 0.262 nan 8.210 nan 0.000 0.466 108 V N 7.664 127.495 119.914 -0.138 0.000 2.482 108 V HA 0.350 4.470 4.120 -0.001 0.000 0.295 108 V C -2.334 173.675 176.094 -0.143 0.000 1.026 108 V CA -1.843 60.367 62.300 -0.151 0.000 0.856 108 V CB 1.610 33.328 31.823 -0.174 0.000 1.001 108 V HN 0.538 nan 8.190 nan 0.000 0.424 109 P HA 0.188 nan 4.420 nan 0.000 0.272 109 P C 1.173 178.363 177.300 -0.184 0.000 1.223 109 P CA 0.018 63.031 63.100 -0.144 0.000 0.784 109 P CB 1.055 32.669 31.700 -0.143 0.000 0.923 110 V N 1.756 121.565 119.914 -0.174 0.000 2.252 110 V HA -0.322 3.798 4.120 -0.001 0.000 0.249 110 V C 2.382 178.273 176.094 -0.339 0.000 1.056 110 V CA 2.605 64.791 62.300 -0.191 0.000 1.022 110 V CB -1.358 30.389 31.823 -0.127 0.000 0.641 110 V HN 0.695 nan 8.190 nan 0.000 0.445 111 N N 0.329 118.689 118.700 -0.566 0.000 2.094 111 N HA -0.219 4.521 4.740 -0.001 0.000 0.191 111 N C 1.621 176.726 175.510 -0.676 0.000 1.023 111 N CA 2.437 54.745 53.050 -1.237 0.000 0.857 111 N CB -1.209 36.477 38.487 -1.335 0.000 1.013 111 N HN 0.503 nan 8.380 nan 0.000 0.426 112 T N 1.444 115.771 114.554 -0.380 0.000 2.777 112 T HA -0.025 4.325 4.350 -0.001 0.000 0.266 112 T C 1.952 176.522 174.700 -0.217 0.000 1.040 112 T CA 0.768 62.716 62.100 -0.254 0.000 1.141 112 T CB -0.360 68.375 68.868 -0.222 0.000 0.868 112 T HN 0.139 nan 8.240 nan 0.000 0.444 113 L N 0.643 121.738 121.223 -0.212 0.000 2.191 113 L HA 0.129 4.469 4.340 -0.001 0.000 0.212 113 L C 2.097 178.905 176.870 -0.103 0.000 1.103 113 L CA 1.603 56.321 54.840 -0.203 0.000 0.769 113 L CB -0.579 41.361 42.059 -0.199 0.000 0.908 113 L HN 0.252 nan 8.230 nan 0.000 0.438 114 M N -1.322 118.263 119.600 -0.024 0.000 2.506 114 M HA -0.027 4.452 4.480 -0.001 0.000 0.260 114 M C 0.764 177.225 176.300 0.268 0.000 1.104 114 M CA 0.393 55.789 55.300 0.159 0.000 1.112 114 M CB -0.050 32.709 32.600 0.264 0.000 1.401 114 M HN 0.264 nan 8.290 nan 0.000 0.473 115 Q N 2.012 121.914 119.800 0.171 0.000 2.296 115 Q HA 0.164 4.504 4.340 -0.001 0.000 0.262 115 Q C -0.529 175.356 176.000 -0.192 0.000 0.981 115 Q CA -0.175 55.620 55.803 -0.013 0.000 0.905 115 Q CB 0.801 29.446 28.738 -0.154 0.000 1.186 115 Q HN 0.299 nan 8.270 nan 0.000 0.399 116 R N 1.242 121.598 120.500 -0.240 0.000 2.784 116 R HA 0.210 4.549 4.340 -0.001 0.000 0.266 116 R C -0.063 176.095 176.300 -0.237 0.000 1.044 116 R CA -0.104 55.882 56.100 -0.191 0.000 1.151 116 R CB 0.487 30.687 30.300 -0.166 0.000 1.037 116 R HN 0.537 nan 8.270 nan 0.000 0.478 117 V N -1.572 118.245 119.914 -0.160 0.000 3.074 117 V HA 0.437 4.557 4.120 -0.001 0.000 0.314 117 V C 0.322 176.363 176.094 -0.089 0.000 1.117 117 V CA -1.560 60.660 62.300 -0.134 0.000 1.014 117 V CB 1.315 33.041 31.823 -0.161 0.000 1.057 117 V HN 1.088 nan 8.190 nan 0.000 0.438 118 C N 1.032 120.304 119.300 -0.046 0.000 2.702 118 C HA 0.467 4.927 4.460 -0.001 0.000 0.411 118 C C -1.601 173.437 174.990 0.081 0.000 1.286 118 C CA -0.738 58.182 59.018 -0.162 0.000 1.979 118 C CB -0.589 27.211 27.740 0.100 0.000 2.728 118 C HN 0.928 nan 8.230 nan 0.000 0.652 119 P HA 0.129 nan 4.420 nan 0.000 0.279 119 P C 0.244 177.678 177.300 0.222 0.000 1.239 119 P CA 0.326 63.494 63.100 0.114 0.000 0.789 119 P CB 0.381 32.106 31.700 0.042 0.000 0.933 120 H N 2.449 121.445 119.070 -0.122 0.000 2.457 120 H HA -0.155 4.400 4.556 -0.001 0.000 0.297 120 H C 1.751 177.156 175.328 0.128 0.000 1.092 120 H CA 2.499 58.472 56.048 -0.124 0.000 1.309 120 H CB -0.062 29.323 29.762 -0.629 0.000 1.382 120 H HN 0.377 nan 8.280 nan 0.000 0.535 121 S N -0.611 115.215 115.700 0.209 0.000 2.423 121 S HA -0.203 4.266 4.470 -0.001 0.000 0.231 121 S C 2.037 176.818 174.600 0.302 0.000 1.014 121 S CA 0.910 59.257 58.200 0.245 0.000 0.965 121 S CB -0.807 62.521 63.200 0.214 0.000 0.785 121 S HN 0.515 nan 8.310 nan 0.000 0.495 122 F N 2.635 122.722 119.950 0.228 0.000 2.186 122 F HA 0.144 4.670 4.527 -0.001 0.000 0.299 122 F C 1.794 177.764 175.800 0.282 0.000 1.090 122 F CA 0.812 59.016 58.000 0.340 0.000 1.307 122 F CB -0.431 38.838 39.000 0.448 0.000 1.019 122 F HN 0.128 nan 8.300 nan 0.000 0.489 123 L N -0.482 120.684 121.223 -0.094 0.000 2.027 123 L HA -0.227 4.112 4.340 -0.001 0.000 0.206 123 L C 2.572 179.335 176.870 -0.179 0.000 1.074 123 L CA 1.889 56.562 54.840 -0.277 0.000 0.745 123 L CB -1.113 40.918 42.059 -0.047 0.000 0.898 123 L HN 0.214 nan 8.230 nan 0.000 0.433 124 H N 0.061 119.093 119.070 -0.062 0.000 2.389 124 H HA -0.070 4.486 4.556 -0.001 0.000 0.299 124 H C 2.070 177.388 175.328 -0.016 0.000 1.081 124 H CA 1.377 57.480 56.048 0.092 0.000 1.345 124 H CB -0.216 29.656 29.762 0.184 0.000 1.393 124 H HN 0.215 nan 8.280 nan 0.000 0.520 125 G N -1.126 107.634 108.800 -0.067 0.000 2.448 125 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.219 125 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.219 125 G C 1.117 175.787 174.900 -0.382 0.000 1.127 125 G CA 0.746 45.741 45.100 -0.174 0.000 0.766 125 G HN 0.524 nan 8.290 nan 0.000 0.552 126 H N -0.087 118.813 119.070 -0.284 0.000 2.594 126 H HA 0.463 5.019 4.556 -0.001 0.000 0.279 126 H C 1.335 176.506 175.328 -0.262 0.000 1.042 126 H CA 0.086 55.972 56.048 -0.271 0.000 1.177 126 H CB 0.551 30.083 29.762 -0.384 0.000 1.524 126 H HN 0.354 nan 8.280 nan 0.000 0.537 127 A N 1.374 124.059 122.820 -0.226 0.000 2.386 127 A HA 0.454 4.774 4.320 -0.001 0.000 0.248 127 A C -0.283 177.198 177.584 -0.171 0.000 1.082 127 A CA -0.054 51.849 52.037 -0.224 0.000 0.789 127 A CB 0.295 19.135 19.000 -0.265 0.000 1.025 127 A HN 0.232 nan 8.150 nan 0.000 0.490 128 L N 1.268 122.409 121.223 -0.137 0.000 2.408 128 L HA 0.564 4.904 4.340 -0.001 0.000 0.268 128 L C -0.573 176.244 176.870 -0.087 0.000 0.986 128 L CA -0.370 54.401 54.840 -0.114 0.000 0.820 128 L CB 2.100 44.083 42.059 -0.127 0.000 1.303 128 L HN 0.435 nan 8.230 nan 0.000 0.411 129 V N 3.168 123.042 119.914 -0.067 0.000 2.715 129 V HA 0.743 4.863 4.120 -0.001 0.000 0.310 129 V C -0.062 175.996 176.094 -0.059 0.000 1.054 129 V CA -0.622 61.646 62.300 -0.053 0.000 0.928 129 V CB 1.866 33.676 31.823 -0.021 0.000 1.007 129 V HN 0.840 nan 8.190 nan 0.000 0.437 130 M N 1.710 121.268 119.600 -0.070 0.000 2.531 130 M HA 0.724 5.204 4.480 -0.001 0.000 0.286 130 M C -1.564 174.690 176.300 -0.077 0.000 1.232 130 M CA -0.838 54.423 55.300 -0.065 0.000 0.877 130 M CB 2.814 35.377 32.600 -0.062 0.000 1.726 130 M HN 0.467 nan 8.290 nan 0.000 0.463 131 K N 1.338 121.701 120.400 -0.062 0.000 2.395 131 K HA 0.479 4.799 4.320 -0.001 0.000 0.247 131 K C -1.134 175.427 176.600 -0.065 0.000 0.973 131 K CA -0.861 55.389 56.287 -0.061 0.000 0.828 131 K CB 3.221 35.698 32.500 -0.039 0.000 1.272 131 K HN 0.795 nan 8.250 nan 0.000 0.439 132 K N 0.189 120.549 120.400 -0.066 0.000 2.436 132 K HA 0.031 4.351 4.320 -0.001 0.000 0.275 132 K C 0.652 177.229 176.600 -0.039 0.000 0.999 132 K CA 1.372 57.622 56.287 -0.062 0.000 0.980 132 K CB 0.231 32.700 32.500 -0.052 0.000 0.919 132 K HN 0.723 nan 8.250 nan 0.000 0.484 133 G N 1.753 110.535 108.800 -0.031 0.000 2.189 133 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.267 133 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.267 133 G C 0.031 174.931 174.900 -0.000 0.000 0.975 133 G CA 0.735 45.829 45.100 -0.010 0.000 0.644 133 G HN 0.718 nan 8.290 nan 0.000 0.537 134 Q N -0.340 119.456 119.800 -0.007 0.000 2.299 134 Q HA 0.528 4.867 4.340 -0.001 0.000 0.246 134 Q C 0.564 176.580 176.000 0.027 0.000 0.935 134 Q CA -0.882 54.923 55.803 0.003 0.000 0.887 134 Q CB 0.478 29.211 28.738 -0.009 0.000 1.223 134 Q HN 0.189 nan 8.270 nan 0.000 0.439 135 R N 3.569 124.087 120.500 0.030 0.000 3.268 135 R HA 0.194 4.534 4.340 -0.001 0.000 0.217 135 R C -1.490 174.843 176.300 0.056 0.000 1.568 135 R CA -0.043 56.084 56.100 0.045 0.000 1.322 135 R CB -0.830 29.487 30.300 0.028 0.000 1.280 135 R HN 0.386 nan 8.270 nan 0.000 0.667 136 L N 2.168 123.457 121.223 0.110 0.000 2.362 136 L HA 0.562 4.901 4.340 -0.001 0.000 0.275 136 L C -0.617 176.362 176.870 0.181 0.000 0.998 136 L CA -0.335 54.587 54.840 0.135 0.000 0.820 136 L CB 1.930 44.099 42.059 0.183 0.000 1.270 136 L HN 0.534 nan 8.230 nan 0.000 0.415 137 S N 4.473 120.152 115.700 -0.035 0.000 2.616 137 S HA 0.449 4.918 4.470 -0.001 0.000 0.277 137 S C 1.036 175.233 174.600 -0.672 0.000 1.234 137 S CA -0.520 57.522 58.200 -0.262 0.000 1.028 137 S CB 1.371 64.465 63.200 -0.178 0.000 0.988 137 S HN 0.810 nan 8.310 nan 0.000 0.522 138 R N 0.548 120.332 120.500 -1.193 0.000 2.096 138 R HA -0.120 4.219 4.340 -0.001 0.000 0.235 138 R C 0.680 176.675 176.300 -0.509 0.000 1.127 138 R CA 1.828 57.201 56.100 -1.212 0.000 0.968 138 R CB -0.531 29.174 30.300 -0.991 0.000 0.861 138 R HN 0.761 nan 8.270 nan 0.000 0.440 139 D N 0.067 120.258 120.400 -0.349 0.000 2.144 139 D HA -0.091 4.548 4.640 -0.001 0.000 0.200 139 D C 1.643 177.839 176.300 -0.173 0.000 0.978 139 D CA 1.320 55.201 54.000 -0.198 0.000 0.833 139 D CB -0.089 40.629 40.800 -0.137 0.000 0.961 139 D HN 0.333 nan 8.370 nan 0.000 0.470 140 A N 0.700 123.410 122.820 -0.184 0.000 1.929 140 A HA -0.096 4.224 4.320 -0.001 0.000 0.216 140 A C 2.081 179.578 177.584 -0.145 0.000 1.176 140 A CA 0.697 52.654 52.037 -0.133 0.000 0.628 140 A CB -0.481 18.457 19.000 -0.103 0.000 0.816 140 A HN 0.206 nan 8.150 nan 0.000 0.444 141 L N 0.066 121.180 121.223 -0.182 0.000 2.056 141 L HA -0.073 4.267 4.340 -0.001 0.000 0.207 141 L C 2.404 179.108 176.870 -0.276 0.000 1.078 141 L CA 2.076 56.808 54.840 -0.180 0.000 0.749 141 L CB -0.750 41.243 42.059 -0.110 0.000 0.901 141 L HN 0.450 nan 8.230 nan 0.000 0.433 142 R N -0.749 119.570 120.500 -0.301 0.000 2.091 142 R HA -0.155 4.185 4.340 -0.001 0.000 0.238 142 R C 1.813 177.942 176.300 -0.284 0.000 1.136 142 R CA 2.127 57.986 56.100 -0.401 0.000 0.959 142 R CB -0.773 29.404 30.300 -0.205 0.000 0.856 142 R HN 0.425 nan 8.270 nan 0.000 0.437 143 T N 1.508 115.967 114.554 -0.159 0.000 2.867 143 T HA -0.071 4.278 4.350 -0.001 0.000 0.268 143 T C 1.805 176.452 174.700 -0.088 0.000 1.057 143 T CA 0.900 62.949 62.100 -0.084 0.000 1.136 143 T CB -0.033 68.802 68.868 -0.056 0.000 0.874 143 T HN 0.262 nan 8.240 nan 0.000 0.466 144 Q N 0.662 120.385 119.800 -0.129 0.000 2.079 144 Q HA 0.089 4.428 4.340 -0.001 0.000 0.200 144 Q C 2.502 178.421 176.000 -0.136 0.000 0.974 144 Q CA 0.988 56.724 55.803 -0.112 0.000 0.840 144 Q CB -0.506 28.154 28.738 -0.131 0.000 0.898 144 Q HN 0.501 nan 8.270 nan 0.000 0.430 145 L N 0.875 121.935 121.223 -0.271 0.000 2.083 145 L HA -0.220 4.119 4.340 -0.001 0.000 0.209 145 L C 1.963 178.806 176.870 -0.046 0.000 1.083 145 L CA 1.069 55.703 54.840 -0.343 0.000 0.752 145 L CB -0.444 41.159 42.059 -0.760 0.000 0.899 145 L HN 0.106 nan 8.230 nan 0.000 0.433 146 D N -0.303 120.081 120.400 -0.028 0.000 2.097 146 D HA -0.154 4.486 4.640 -0.001 0.000 0.195 146 D C 2.429 178.801 176.300 0.121 0.000 0.989 146 D CA 1.798 55.876 54.000 0.130 0.000 0.827 146 D CB -0.154 40.720 40.800 0.124 0.000 0.966 146 D HN 0.334 nan 8.370 nan 0.000 0.456 147 S N 0.448 116.195 115.700 0.079 0.000 2.419 147 S HA -0.036 4.433 4.470 -0.001 0.000 0.233 147 S C 1.968 176.651 174.600 0.137 0.000 1.016 147 S CA 1.042 59.301 58.200 0.099 0.000 0.974 147 S CB -0.177 63.072 63.200 0.083 0.000 0.786 147 S HN 0.212 nan 8.310 nan 0.000 0.492 148 A N 0.605 123.515 122.820 0.149 0.000 2.238 148 A HA 0.558 4.878 4.320 -0.001 0.000 0.208 148 A C 1.765 179.493 177.584 0.240 0.000 1.177 148 A CA 0.617 52.775 52.037 0.200 0.000 0.804 148 A CB -1.046 18.067 19.000 0.189 0.000 0.823 148 A HN 1.534 nan 8.150 nan 0.000 0.482 149 G N -2.610 106.325 108.800 0.224 0.000 2.176 149 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.232 149 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.232 149 G C -0.005 175.002 174.900 0.178 0.000 0.986 149 G CA 0.061 45.269 45.100 0.179 0.000 0.643 149 G HN 0.348 nan 8.290 nan 0.000 0.522 150 Y N 0.689 121.054 120.300 0.108 0.000 2.480 150 Y HA 0.487 5.037 4.550 -0.001 0.000 0.338 150 Y C 1.210 177.264 175.900 0.256 0.000 1.220 150 Y CA -0.022 58.180 58.100 0.171 0.000 1.430 150 Y CB 0.536 39.127 38.460 0.219 0.000 1.311 150 Y HN 0.266 nan 8.280 nan 0.000 0.575 151 R N 2.456 123.119 120.500 0.272 0.000 2.229 151 R HA 0.194 4.533 4.340 -0.001 0.000 0.328 151 R C -1.058 175.209 176.300 -0.054 0.000 1.009 151 R CA -0.588 55.588 56.100 0.128 0.000 0.864 151 R CB 0.232 30.561 30.300 0.047 0.000 1.085 151 R HN 0.830 nan 8.270 nan 0.000 0.453 152 H N 4.472 123.346 119.070 -0.326 0.000 3.015 152 H HA 0.202 4.757 4.556 -0.001 0.000 0.268 152 H C -0.015 175.106 175.328 -0.346 0.000 1.113 152 H CA -0.585 55.027 56.048 -0.727 0.000 1.479 152 H CB 0.395 29.859 29.762 -0.498 0.000 1.493 152 H HN 0.399 nan 8.280 nan 0.000 0.486 153 V N 1.391 121.272 119.914 -0.054 0.000 3.103 153 V HA 0.212 4.332 4.120 -0.001 0.000 0.318 153 V C 0.554 176.674 176.094 0.043 0.000 1.114 153 V CA -0.857 61.442 62.300 -0.002 0.000 1.020 153 V CB 2.065 33.887 31.823 -0.003 0.000 1.085 153 V HN 0.636 nan 8.190 nan 0.000 0.446 154 D N -0.119 120.288 120.400 0.011 0.000 2.194 154 D HA 0.045 4.684 4.640 -0.001 0.000 0.204 154 D C 0.672 176.983 176.300 0.018 0.000 0.964 154 D CA 1.431 55.439 54.000 0.013 0.000 0.846 154 D CB 0.407 41.202 40.800 -0.008 0.000 0.962 154 D HN 0.763 nan 8.370 nan 0.000 0.490 155 Q N 0.448 120.263 119.800 0.025 0.000 2.263 155 Q HA 0.322 4.661 4.340 -0.001 0.000 0.266 155 Q C -1.574 174.475 176.000 0.082 0.000 1.002 155 Q CA -0.438 55.388 55.803 0.039 0.000 0.790 155 Q CB 2.165 30.920 28.738 0.028 0.000 1.272 155 Q HN -0.245 nan 8.270 nan 0.000 0.435 156 V N 6.113 126.112 119.914 0.140 0.000 2.446 156 V HA 0.046 4.165 4.120 -0.001 0.000 0.276 156 V C 0.473 176.708 176.094 0.234 0.000 1.030 156 V CA 0.538 62.972 62.300 0.224 0.000 1.033 156 V CB 0.883 32.923 31.823 0.361 0.000 0.993 156 V HN 0.940 nan 8.190 nan 0.000 0.477 157 M N 2.851 122.559 119.600 0.181 0.000 2.329 157 M HA 0.381 4.860 4.480 -0.001 0.000 0.281 157 M C 0.533 176.922 176.300 0.148 0.000 1.088 157 M CA 0.500 55.890 55.300 0.150 0.000 1.108 157 M CB 0.396 33.041 32.600 0.076 0.000 1.657 157 M HN 0.570 nan 8.290 nan 0.000 0.579 158 E N -0.486 119.758 120.200 0.072 0.000 2.392 158 E HA 0.365 4.714 4.350 -0.001 0.000 0.269 158 E C -1.096 175.225 176.600 -0.464 0.000 0.924 158 E CA -0.754 55.517 56.400 -0.216 0.000 0.784 158 E CB 1.605 31.213 29.700 -0.153 0.000 1.292 158 E HN 0.195 nan 8.360 nan 0.000 0.447 159 H N -0.274 118.302 119.070 -0.824 0.000 2.972 159 H HA 0.188 4.743 4.556 -0.001 0.000 0.343 159 H C 1.147 176.263 175.328 -0.354 0.000 1.054 159 H CA 1.926 57.553 56.048 -0.703 0.000 1.412 159 H CB 0.395 29.798 29.762 -0.598 0.000 1.385 159 H HN 0.830 nan 8.280 nan 0.000 0.600 160 G N 1.731 110.434 108.800 -0.161 0.000 2.136 160 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.242 160 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.242 160 G C -0.019 174.810 174.900 -0.119 0.000 0.989 160 G CA 0.048 44.873 45.100 -0.458 0.000 0.682 160 G HN 0.625 nan 8.290 nan 0.000 0.522 161 E N -0.940 119.365 120.200 0.175 0.000 2.221 161 E HA 0.703 5.053 4.350 -0.001 0.000 0.268 161 E C -0.482 176.378 176.600 0.433 0.000 0.933 161 E CA -1.088 55.459 56.400 0.245 0.000 0.809 161 E CB 1.572 31.358 29.700 0.144 0.000 1.190 161 E HN 0.598 nan 8.360 nan 0.000 0.406 162 Y N -1.219 119.197 120.300 0.192 0.000 2.562 162 Y HA 0.789 5.339 4.550 -0.001 0.000 0.345 162 Y C -1.666 174.244 175.900 0.017 0.000 1.045 162 Y CA -1.204 56.956 58.100 0.101 0.000 1.028 162 Y CB 1.319 39.789 38.460 0.016 0.000 1.297 162 Y HN 0.484 nan 8.280 nan 0.000 0.463 163 A N 1.834 124.692 122.820 0.064 0.000 2.374 163 A HA 0.689 5.008 4.320 -0.001 0.000 0.305 163 A C -0.828 176.799 177.584 0.071 0.000 1.053 163 A CA -0.486 51.546 52.037 -0.008 0.000 0.726 163 A CB 0.974 19.996 19.000 0.036 0.000 1.229 163 A HN 1.098 nan 8.150 nan 0.000 0.431 164 T N 0.378 114.983 114.554 0.085 0.000 2.821 164 T HA 0.624 4.973 4.350 -0.001 0.000 0.307 164 T C -0.417 174.340 174.700 0.095 0.000 1.034 164 T CA -0.634 61.532 62.100 0.109 0.000 0.953 164 T CB 0.234 69.183 68.868 0.137 0.000 0.968 164 T HN 0.590 nan 8.240 nan 0.000 0.462 165 R N 2.936 123.464 120.500 0.047 0.000 2.407 165 R HA 0.582 4.921 4.340 -0.001 0.000 0.298 165 R C 1.150 177.452 176.300 0.003 0.000 1.166 165 R CA -0.554 55.558 56.100 0.019 0.000 1.006 165 R CB 1.103 31.400 30.300 -0.005 0.000 1.145 165 R HN 1.002 nan 8.270 nan 0.000 0.538 166 G N 2.263 111.063 108.800 0.000 0.000 2.595 166 G HA2 -0.451 3.508 3.960 -0.001 0.000 0.297 166 G HA3 -0.451 3.508 3.960 -0.001 0.000 0.297 166 G C 0.623 175.505 174.900 -0.031 0.000 1.181 166 G CA 0.295 45.385 45.100 -0.017 0.000 0.963 166 G HN 0.613 nan 8.290 nan 0.000 0.541 167 A N -0.040 122.754 122.820 -0.043 0.000 2.308 167 A HA 0.731 5.051 4.320 -0.001 0.000 0.217 167 A C 0.881 178.484 177.584 0.030 0.000 1.216 167 A CA 0.594 52.590 52.037 -0.068 0.000 0.864 167 A CB -0.034 18.860 19.000 -0.178 0.000 0.902 167 A HN 0.644 nan 8.150 nan 0.000 0.499 168 L N -0.590 120.662 121.223 0.048 0.000 2.322 168 L HA 0.642 4.981 4.340 -0.001 0.000 0.269 168 L C -0.726 176.229 176.870 0.141 0.000 1.012 168 L CA -0.818 54.082 54.840 0.101 0.000 0.815 168 L CB 2.069 44.132 42.059 0.007 0.000 1.295 168 L HN 0.234 nan 8.230 nan 0.000 0.438 169 L N 1.431 122.783 121.223 0.215 0.000 2.372 169 L HA 0.483 4.823 4.340 -0.001 0.000 0.274 169 L C -1.374 175.581 176.870 0.142 0.000 0.988 169 L CA -0.482 54.470 54.840 0.187 0.000 0.833 169 L CB 1.642 43.854 42.059 0.256 0.000 1.236 169 L HN 0.470 nan 8.230 nan 0.000 0.410 170 D N 4.894 125.362 120.400 0.113 0.000 2.225 170 D HA 0.694 5.334 4.640 -0.001 0.000 0.249 170 D C -0.917 175.548 176.300 0.276 0.000 1.052 170 D CA 0.195 54.292 54.000 0.161 0.000 0.909 170 D CB 1.836 42.650 40.800 0.022 0.000 1.186 170 D HN 0.350 nan 8.370 nan 0.000 0.431 171 L N -1.207 120.224 121.223 0.348 0.000 2.556 171 L HA 0.518 4.858 4.340 -0.001 0.000 0.257 171 L C -1.197 175.887 176.870 0.357 0.000 0.955 171 L CA -0.965 54.086 54.840 0.352 0.000 0.850 171 L CB 1.104 43.305 42.059 0.236 0.000 1.398 171 L HN 0.293 nan 8.230 nan 0.000 0.412 172 F N 2.705 122.796 119.950 0.236 0.000 2.307 172 F HA 0.607 5.133 4.527 -0.001 0.000 0.369 172 F C -2.157 173.804 175.800 0.268 0.000 1.076 172 F CA -2.176 55.893 58.000 0.115 0.000 1.149 172 F CB 1.658 40.635 39.000 -0.039 0.000 1.410 172 F HN 0.369 nan 8.300 nan 0.000 0.481 173 P HA -0.034 nan 4.420 nan 0.000 0.267 173 P C -0.192 177.368 177.300 0.434 0.000 1.205 173 P CA -0.024 63.392 63.100 0.527 0.000 0.765 173 P CB 0.493 32.424 31.700 0.385 0.000 0.828 174 M N 2.712 122.470 119.600 0.262 0.000 2.252 174 M HA 0.123 4.603 4.480 -0.001 0.000 0.348 174 M C 1.586 177.918 176.300 0.053 0.000 1.334 174 M CA 1.237 56.555 55.300 0.031 0.000 1.071 174 M CB -0.955 31.565 32.600 -0.133 0.000 1.763 174 M HN 0.855 nan 8.290 nan 0.000 0.452 175 G N 2.530 111.324 108.800 -0.010 0.000 2.176 175 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.232 175 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.232 175 G C 0.201 175.172 174.900 0.118 0.000 0.986 175 G CA 0.364 45.480 45.100 0.028 0.000 0.643 175 G HN 0.834 nan 8.290 nan 0.000 0.522 176 S N -0.414 115.423 115.700 0.229 0.000 2.503 176 S HA 0.619 5.089 4.470 -0.001 0.000 0.301 176 S C 1.212 176.056 174.600 0.406 0.000 1.087 176 S CA 0.042 58.425 58.200 0.304 0.000 1.042 176 S CB 1.456 64.888 63.200 0.387 0.000 1.043 176 S HN 0.162 nan 8.310 nan 0.000 0.489 177 E N 2.036 122.401 120.200 0.275 0.000 2.150 177 E HA 0.010 4.360 4.350 -0.001 0.000 0.193 177 E C 0.118 176.840 176.600 0.203 0.000 0.985 177 E CA 0.881 57.438 56.400 0.261 0.000 0.814 177 E CB -0.033 29.742 29.700 0.126 0.000 0.752 177 E HN 0.410 nan 8.360 nan 0.000 0.466 178 L N 1.073 122.265 121.223 -0.052 0.000 2.322 178 L HA 0.435 4.774 4.340 -0.001 0.000 0.269 178 L C -2.331 173.896 176.870 -1.072 0.000 1.012 178 L CA -2.569 51.925 54.840 -0.575 0.000 0.815 178 L CB 0.858 42.559 42.059 -0.597 0.000 1.295 178 L HN -0.192 nan 8.230 nan 0.000 0.438 179 P HA 0.465 nan 4.420 nan 0.000 0.283 179 P C -1.659 174.930 177.300 -1.185 0.000 1.278 179 P CA -0.458 61.771 63.100 -1.451 0.000 0.834 179 P CB 1.101 31.674 31.700 -1.878 0.000 1.150 180 Y N -1.210 119.023 120.300 -0.113 0.000 2.524 180 Y HA 0.550 5.100 4.550 -0.001 0.000 0.347 180 Y C 0.680 176.779 175.900 0.332 0.000 1.005 180 Y CA -0.867 57.307 58.100 0.123 0.000 1.025 180 Y CB 2.690 41.171 38.460 0.035 0.000 1.275 180 Y HN 0.209 nan 8.280 nan 0.000 0.460 181 R N 3.443 124.187 120.500 0.406 0.000 2.360 181 R HA 0.623 4.962 4.340 -0.001 0.000 0.318 181 R C -2.015 174.324 176.300 0.065 0.000 0.950 181 R CA -0.371 55.818 56.100 0.149 0.000 0.837 181 R CB 0.614 30.913 30.300 -0.000 0.000 1.165 181 R HN 0.709 nan 8.270 nan 0.000 0.458 182 L N 4.597 125.820 121.223 0.001 0.000 2.322 182 L HA 0.441 4.781 4.340 -0.001 0.000 0.281 182 L C -0.641 176.074 176.870 -0.258 0.000 1.014 182 L CA -1.118 53.615 54.840 -0.179 0.000 0.815 182 L CB 1.688 43.579 42.059 -0.280 0.000 1.247 182 L HN 0.747 nan 8.230 nan 0.000 0.421 183 D N 1.595 121.802 120.400 -0.320 0.000 2.269 183 D HA 0.561 5.200 4.640 -0.001 0.000 0.244 183 D C -1.024 174.999 176.300 -0.461 0.000 0.992 183 D CA -0.398 53.454 54.000 -0.247 0.000 0.894 183 D CB 1.732 42.504 40.800 -0.046 0.000 1.248 183 D HN 0.104 nan 8.370 nan 0.000 0.468 184 F N 0.295 120.128 119.950 -0.196 0.000 2.477 184 F HA 0.490 5.017 4.527 -0.001 0.000 0.335 184 F C -0.777 174.788 175.800 -0.391 0.000 1.130 184 F CA -0.895 56.999 58.000 -0.178 0.000 0.948 184 F CB 1.552 40.455 39.000 -0.162 0.000 1.154 184 F HN 0.129 nan 8.300 nan 0.000 0.439 185 F N 1.654 121.680 119.950 0.128 0.000 2.539 185 F HA 0.299 4.825 4.527 -0.001 0.000 0.328 185 F C 0.005 175.851 175.800 0.077 0.000 1.148 185 F CA -1.213 56.837 58.000 0.083 0.000 0.940 185 F CB 1.713 40.734 39.000 0.036 0.000 1.194 185 F HN 0.572 nan 8.300 nan 0.000 0.438 186 D N 2.545 123.067 120.400 0.204 0.000 2.775 186 D HA -0.215 4.424 4.640 -0.001 0.000 0.235 186 D C -0.375 175.988 176.300 0.105 0.000 1.120 186 D CA 0.966 55.045 54.000 0.131 0.000 0.708 186 D CB -0.857 40.016 40.800 0.123 0.000 1.084 186 D HN 0.770 nan 8.370 nan 0.000 0.434 187 D N -0.895 119.567 120.400 0.103 0.000 2.882 187 D HA -0.236 4.404 4.640 -0.001 0.000 0.229 187 D C 0.010 176.394 176.300 0.139 0.000 1.167 187 D CA 1.715 55.770 54.000 0.092 0.000 0.759 187 D CB -0.721 40.096 40.800 0.028 0.000 1.088 187 D HN 0.892 nan 8.370 nan 0.000 0.425 188 E N -0.776 119.533 120.200 0.181 0.000 2.312 188 E HA 0.536 4.885 4.350 -0.001 0.000 0.267 188 E C -0.413 176.266 176.600 0.131 0.000 0.894 188 E CA -1.079 55.412 56.400 0.152 0.000 0.773 188 E CB 1.420 31.170 29.700 0.084 0.000 1.241 188 E HN 0.090 nan 8.360 nan 0.000 0.432 189 I N 3.045 123.616 120.570 0.001 0.000 2.574 189 I HA -0.066 4.103 4.170 -0.001 0.000 0.291 189 I C 0.798 176.833 176.117 -0.137 0.000 1.131 189 I CA 0.314 61.462 61.300 -0.254 0.000 1.352 189 I CB 0.029 37.877 38.000 -0.254 0.000 1.431 189 I HN 0.776 nan 8.210 nan 0.000 0.543 190 D N 4.227 124.569 120.400 -0.097 0.000 2.117 190 D HA -0.125 4.514 4.640 -0.001 0.000 0.197 190 D C 0.483 176.766 176.300 -0.028 0.000 0.987 190 D CA 1.332 55.350 54.000 0.030 0.000 0.829 190 D CB 0.404 41.361 40.800 0.261 0.000 0.961 190 D HN 0.609 nan 8.370 nan 0.000 0.460 191 S N -1.837 113.806 115.700 -0.093 0.000 2.567 191 S HA 0.559 5.028 4.470 -0.001 0.000 0.270 191 S C -1.537 172.999 174.600 -0.108 0.000 1.152 191 S CA -1.141 57.015 58.200 -0.074 0.000 0.835 191 S CB 1.171 64.358 63.200 -0.022 0.000 1.115 191 S HN 0.023 nan 8.310 nan 0.000 0.459 192 L N 1.136 122.319 121.223 -0.067 0.000 2.385 192 L HA 0.739 5.079 4.340 -0.001 0.000 0.273 192 L C -0.029 176.871 176.870 0.050 0.000 0.990 192 L CA -0.418 54.400 54.840 -0.038 0.000 0.821 192 L CB 1.918 43.910 42.059 -0.110 0.000 1.279 192 L HN 0.748 nan 8.230 nan 0.000 0.412 193 R N 1.639 122.227 120.500 0.146 0.000 2.621 193 R HA 0.641 4.980 4.340 -0.001 0.000 0.284 193 R C -1.141 175.328 176.300 0.280 0.000 0.998 193 R CA -0.998 55.208 56.100 0.177 0.000 0.895 193 R CB 2.516 32.880 30.300 0.108 0.000 1.195 193 R HN 0.279 nan 8.270 nan 0.000 0.450 194 V N 3.981 124.019 119.914 0.208 0.000 2.901 194 V HA 0.066 4.186 4.120 -0.001 0.000 0.307 194 V C 0.025 176.136 176.094 0.028 0.000 1.084 194 V CA 0.685 62.955 62.300 -0.049 0.000 1.184 194 V CB -0.240 31.520 31.823 -0.105 0.000 0.941 194 V HN 0.646 nan 8.190 nan 0.000 0.493 195 F N 1.269 121.083 119.950 -0.225 0.000 2.629 195 F HA 0.736 5.262 4.527 -0.001 0.000 0.316 195 F C -0.804 174.871 175.800 -0.209 0.000 1.081 195 F CA -1.698 56.202 58.000 -0.166 0.000 0.954 195 F CB 1.734 40.661 39.000 -0.121 0.000 1.337 195 F HN 0.434 nan 8.300 nan 0.000 0.474 196 D N 1.469 121.887 120.400 0.030 0.000 2.329 196 D HA 0.349 4.988 4.640 -0.001 0.000 0.232 196 D C 1.032 177.350 176.300 0.031 0.000 1.088 196 D CA -0.630 53.319 54.000 -0.086 0.000 0.835 196 D CB 1.886 42.677 40.800 -0.015 0.000 1.078 196 D HN 0.672 nan 8.370 nan 0.000 0.495 197 V N 1.530 121.366 119.914 -0.131 0.000 2.469 197 V HA -0.163 3.957 4.120 -0.001 0.000 0.251 197 V C 1.224 177.366 176.094 0.080 0.000 1.064 197 V CA 1.537 63.853 62.300 0.028 0.000 1.066 197 V CB -0.380 31.429 31.823 -0.023 0.000 0.667 197 V HN 0.504 nan 8.190 nan 0.000 0.461 198 D N 1.316 121.738 120.400 0.038 0.000 2.137 198 D HA -0.057 4.583 4.640 -0.001 0.000 0.202 198 D C 2.438 178.763 176.300 0.041 0.000 0.970 198 D CA 1.983 56.004 54.000 0.035 0.000 0.837 198 D CB 0.007 40.817 40.800 0.018 0.000 0.981 198 D HN 0.745 nan 8.370 nan 0.000 0.475 199 S N -0.529 115.199 115.700 0.046 0.000 2.517 199 S HA -0.010 4.460 4.470 -0.001 0.000 0.214 199 S C 0.829 175.461 174.600 0.053 0.000 0.991 199 S CA -0.112 58.113 58.200 0.040 0.000 0.906 199 S CB 0.508 63.726 63.200 0.030 0.000 0.789 199 S HN -0.009 nan 8.310 nan 0.000 0.513 200 Q N 0.327 120.190 119.800 0.105 0.000 2.480 200 Q HA -0.161 4.179 4.340 -0.001 0.000 0.265 200 Q C -0.621 175.403 176.000 0.040 0.000 1.072 200 Q CA 0.874 56.740 55.803 0.104 0.000 1.018 200 Q CB -1.524 27.218 28.738 0.007 0.000 1.433 200 Q HN 0.697 nan 8.270 nan 0.000 0.513 201 R N 0.005 120.559 120.500 0.090 0.000 2.460 201 R HA 0.402 4.742 4.340 -0.001 0.000 0.303 201 R C 0.125 176.479 176.300 0.089 0.000 0.968 201 R CA -0.464 55.665 56.100 0.048 0.000 0.889 201 R CB 1.224 31.543 30.300 0.033 0.000 1.123 201 R HN -0.090 nan 8.270 nan 0.000 0.455 202 T N 3.316 117.901 114.554 0.051 0.000 2.916 202 T HA 0.176 4.525 4.350 -0.001 0.000 0.303 202 T C 0.608 175.343 174.700 0.059 0.000 1.025 202 T CA 0.284 62.428 62.100 0.072 0.000 1.142 202 T CB 0.307 69.195 68.868 0.033 0.000 0.947 202 T HN 0.293 nan 8.240 nan 0.000 0.544 203 L N 1.963 123.225 121.223 0.064 0.000 2.818 203 L HA 0.499 4.839 4.340 -0.001 0.000 0.230 203 L C 0.713 177.606 176.870 0.039 0.000 2.013 203 L CA -1.228 53.633 54.840 0.035 0.000 2.420 203 L CB 0.125 42.190 42.059 0.010 0.000 2.612 203 L HN 0.613 nan 8.230 nan 0.000 0.595 204 E N 0.542 120.761 120.200 0.032 0.000 2.437 204 E HA 0.011 4.361 4.350 -0.001 0.000 0.263 204 E C -0.699 175.935 176.600 0.057 0.000 1.030 204 E CA -0.144 56.279 56.400 0.038 0.000 0.934 204 E CB 0.441 30.161 29.700 0.033 0.000 0.943 204 E HN 0.290 nan 8.360 nan 0.000 0.444 205 E N 1.748 121.974 120.200 0.044 0.000 2.313 205 E HA 0.241 4.590 4.350 -0.001 0.000 0.276 205 E C -1.299 175.325 176.600 0.039 0.000 1.031 205 E CA -0.578 55.846 56.400 0.042 0.000 0.857 205 E CB 1.491 31.203 29.700 0.020 0.000 1.040 205 E HN 0.332 nan 8.360 nan 0.000 0.408 206 V N 3.556 123.491 119.914 0.035 0.000 2.919 206 V HA 0.133 4.252 4.120 -0.001 0.000 0.316 206 V C 0.640 176.712 176.094 -0.038 0.000 1.077 206 V CA -0.304 62.000 62.300 0.006 0.000 0.977 206 V CB 1.920 33.749 31.823 0.010 0.000 1.039 206 V HN 0.938 nan 8.190 nan 0.000 0.441 207 E N 3.527 123.702 120.200 -0.042 0.000 2.076 207 E HA 0.373 4.723 4.350 -0.001 0.000 0.190 207 E C 0.256 176.811 176.600 -0.074 0.000 0.979 207 E CA 1.397 57.769 56.400 -0.046 0.000 0.807 207 E CB 0.302 29.985 29.700 -0.029 0.000 0.761 207 E HN 1.005 nan 8.360 nan 0.000 0.454 208 A N -0.179 122.579 122.820 -0.103 0.000 2.608 208 A HA 0.602 4.921 4.320 -0.001 0.000 0.292 208 A C -1.172 176.294 177.584 -0.198 0.000 1.066 208 A CA -0.548 51.412 52.037 -0.128 0.000 0.676 208 A CB 0.682 19.637 19.000 -0.075 0.000 1.277 208 A HN 0.357 nan 8.150 nan 0.000 0.413 209 I N -1.088 119.346 120.570 -0.227 0.000 2.934 209 I HA 0.822 4.991 4.170 -0.001 0.000 0.306 209 I C -0.850 175.190 176.117 -0.128 0.000 1.110 209 I CA -0.921 60.220 61.300 -0.265 0.000 1.019 209 I CB 2.421 40.109 38.000 -0.520 0.000 1.227 209 I HN 0.662 nan 8.210 nan 0.000 0.434 210 N N 4.389 123.049 118.700 -0.066 0.000 2.321 210 N HA 0.673 5.413 4.740 -0.001 0.000 0.299 210 N C -1.705 173.796 175.510 -0.015 0.000 1.048 210 N CA -0.645 52.388 53.050 -0.029 0.000 0.836 210 N CB 1.726 40.226 38.487 0.021 0.000 1.269 210 N HN 0.744 nan 8.380 nan 0.000 0.486 211 L N 2.317 123.514 121.223 -0.043 0.000 2.342 211 L HA 0.585 4.925 4.340 -0.001 0.000 0.271 211 L C -0.387 176.443 176.870 -0.065 0.000 1.008 211 L CA -1.069 53.769 54.840 -0.002 0.000 0.818 211 L CB 1.555 43.590 42.059 -0.039 0.000 1.296 211 L HN 0.389 nan 8.230 nan 0.000 0.427 212 L N 2.110 123.317 121.223 -0.027 0.000 2.332 212 L HA 0.581 4.921 4.340 -0.001 0.000 0.269 212 L C -2.116 174.762 176.870 0.013 0.000 1.016 212 L CA -1.946 52.814 54.840 -0.133 0.000 0.809 212 L CB 1.918 43.854 42.059 -0.205 0.000 1.280 212 L HN 0.345 nan 8.230 nan 0.000 0.447 213 P HA -0.015 nan 4.420 nan 0.000 0.270 213 P C -0.188 177.032 177.300 -0.132 0.000 1.223 213 P CA -0.141 62.947 63.100 -0.021 0.000 0.785 213 P CB 0.727 32.314 31.700 -0.189 0.000 0.923 214 A N 1.389 124.047 122.820 -0.271 0.000 2.119 214 A HA -0.030 4.289 4.320 -0.001 0.000 0.217 214 A C 0.899 177.973 177.584 -0.850 0.000 1.153 214 A CA 1.082 52.703 52.037 -0.693 0.000 0.692 214 A CB -0.662 17.854 19.000 -0.807 0.000 0.799 214 A HN 0.623 nan 8.150 nan 0.000 0.458 215 H N -2.208 116.627 119.070 -0.391 0.000 2.941 215 H HA 0.299 4.854 4.556 -0.001 0.000 0.344 215 H C -0.710 174.429 175.328 -0.315 0.000 1.235 215 H CA -0.692 55.006 56.048 -0.583 0.000 1.149 215 H CB 0.820 29.748 29.762 -1.390 0.000 1.885 215 H HN 0.244 nan 8.280 nan 0.000 0.558 216 E N 0.797 120.919 120.200 -0.130 0.000 2.320 216 E HA 0.143 4.493 4.350 -0.001 0.000 0.189 216 E C -0.921 175.795 176.600 0.193 0.000 1.100 216 E CA 0.054 56.601 56.400 0.246 0.000 1.009 216 E CB -0.202 29.715 29.700 0.361 0.000 1.145 216 E HN 0.216 nan 8.360 nan 0.000 0.454 217 F N -2.331 117.565 119.950 -0.090 0.000 2.678 217 F HA 0.517 5.044 4.527 -0.001 0.000 0.308 217 F C -3.078 172.383 175.800 -0.565 0.000 1.118 217 F CA -3.488 54.137 58.000 -0.626 0.000 0.959 217 F CB 0.633 39.287 39.000 -0.578 0.000 1.305 217 F HN -0.275 nan 8.300 nan 0.000 0.443 218 P HA 0.245 nan 4.420 nan 0.000 0.275 218 P C -0.005 177.246 177.300 -0.080 0.000 1.228 218 P CA -0.167 62.816 63.100 -0.194 0.000 0.786 218 P CB 1.538 33.151 31.700 -0.145 0.000 0.927 219 T N -3.007 111.529 114.554 -0.030 0.000 3.209 219 T HA 0.098 4.447 4.350 -0.001 0.000 0.295 219 T C 0.387 175.129 174.700 0.070 0.000 0.977 219 T CA -0.503 61.612 62.100 0.025 0.000 0.922 219 T CB -0.389 68.435 68.868 -0.074 0.000 1.152 219 T HN 0.425 nan 8.240 nan 0.000 0.527 220 D N 1.440 121.895 120.400 0.091 0.000 2.372 220 D HA 0.073 4.713 4.640 -0.001 0.000 0.243 220 D C 1.174 177.527 176.300 0.087 0.000 1.297 220 D CA -0.620 53.440 54.000 0.099 0.000 0.958 220 D CB 1.522 42.404 40.800 0.136 0.000 1.114 220 D HN 0.100 nan 8.370 nan 0.000 0.496 221 K N -0.069 120.373 120.400 0.070 0.000 2.032 221 K HA -0.211 4.108 4.320 -0.001 0.000 0.209 221 K C 2.067 178.702 176.600 0.058 0.000 1.048 221 K CA 1.530 57.847 56.287 0.050 0.000 0.927 221 K CB -0.460 32.065 32.500 0.040 0.000 0.712 221 K HN 0.514 nan 8.250 nan 0.000 0.441 222 A N 0.889 123.754 122.820 0.076 0.000 1.933 222 A HA -0.096 4.224 4.320 -0.001 0.000 0.218 222 A C 2.291 179.931 177.584 0.094 0.000 1.175 222 A CA 1.886 53.972 52.037 0.081 0.000 0.628 222 A CB -0.711 18.345 19.000 0.093 0.000 0.814 222 A HN 0.507 nan 8.150 nan 0.000 0.444 223 A N -0.435 122.456 122.820 0.118 0.000 1.968 223 A HA 0.049 4.368 4.320 -0.001 0.000 0.217 223 A C 1.898 179.576 177.584 0.157 0.000 1.169 223 A CA 1.390 53.517 52.037 0.149 0.000 0.638 223 A CB -0.380 18.730 19.000 0.183 0.000 0.812 223 A HN 0.385 nan 8.150 nan 0.000 0.446 224 I N 0.390 121.025 120.570 0.109 0.000 2.252 224 I HA -0.170 4.000 4.170 -0.001 0.000 0.245 224 I C 2.228 178.360 176.117 0.024 0.000 1.102 224 I CA 1.226 62.545 61.300 0.032 0.000 1.385 224 I CB -1.630 36.357 38.000 -0.020 0.000 1.064 224 I HN 0.442 nan 8.210 nan 0.000 0.414 225 E N 0.333 120.554 120.200 0.034 0.000 2.110 225 E HA -0.240 4.110 4.350 -0.001 0.000 0.193 225 E C 2.168 178.803 176.600 0.057 0.000 0.988 225 E CA 0.942 57.364 56.400 0.036 0.000 0.804 225 E CB -0.188 29.535 29.700 0.040 0.000 0.745 225 E HN 0.248 nan 8.360 nan 0.000 0.458 226 L N 0.301 121.565 121.223 0.067 0.000 2.056 226 L HA -0.108 4.231 4.340 -0.001 0.000 0.207 226 L C 2.068 178.962 176.870 0.041 0.000 1.078 226 L CA 1.468 56.343 54.840 0.059 0.000 0.749 226 L CB -0.498 41.600 42.059 0.066 0.000 0.901 226 L HN 0.070 nan 8.230 nan 0.000 0.433 227 F N 0.337 120.198 119.950 -0.148 0.000 2.095 227 F HA -0.259 4.267 4.527 -0.001 0.000 0.298 227 F C 2.542 178.299 175.800 -0.071 0.000 1.104 227 F CA 1.750 59.592 58.000 -0.264 0.000 1.232 227 F CB -0.138 38.482 39.000 -0.633 0.000 0.987 227 F HN 0.003 nan 8.300 nan 0.000 0.475 228 R N -0.465 120.135 120.500 0.168 0.000 2.073 228 R HA -0.176 4.164 4.340 -0.001 0.000 0.234 228 R C 2.631 179.093 176.300 0.269 0.000 1.134 228 R CA 1.562 57.773 56.100 0.185 0.000 0.952 228 R CB -0.896 29.409 30.300 0.009 0.000 0.850 228 R HN 0.311 nan 8.270 nan 0.000 0.433 229 S N 0.559 116.342 115.700 0.138 0.000 2.356 229 S HA -0.183 4.287 4.470 -0.001 0.000 0.223 229 S C 1.903 176.541 174.600 0.062 0.000 1.032 229 S CA 1.281 59.543 58.200 0.104 0.000 1.005 229 S CB 0.005 63.243 63.200 0.063 0.000 0.867 229 S HN 0.330 nan 8.310 nan 0.000 0.449 230 Q N -0.738 119.063 119.800 0.002 0.000 2.172 230 Q HA -0.080 4.259 4.340 -0.001 0.000 0.200 230 Q C 1.925 177.868 176.000 -0.096 0.000 0.964 230 Q CA 0.965 56.727 55.803 -0.069 0.000 0.855 230 Q CB -0.291 28.385 28.738 -0.104 0.000 0.918 230 Q HN 0.769 nan 8.270 nan 0.000 0.444 231 W N 2.188 123.346 121.300 -0.236 0.000 2.358 231 W HA -0.145 4.515 4.660 -0.000 0.000 0.303 231 W C 1.462 177.980 176.519 -0.003 0.000 1.208 231 W CA 1.301 58.580 57.345 -0.111 0.000 1.274 231 W CB -0.026 29.426 29.460 -0.013 0.000 1.138 231 W HN 0.082 nan 8.180 nan 0.000 0.515 232 R N -0.063 120.591 120.500 0.257 0.000 2.115 232 R HA -0.117 4.222 4.340 -0.001 0.000 0.226 232 R C 1.584 177.870 176.300 -0.023 0.000 1.100 232 R CA 1.461 57.638 56.100 0.128 0.000 0.980 232 R CB -0.523 29.846 30.300 0.115 0.000 0.875 232 R HN 0.003 nan 8.270 nan 0.000 0.445 233 D N -0.469 119.894 120.400 -0.061 0.000 2.309 233 D HA -0.079 4.561 4.640 -0.001 0.000 0.212 233 D C 1.137 177.308 176.300 -0.215 0.000 0.968 233 D CA 1.221 55.155 54.000 -0.111 0.000 0.882 233 D CB 0.217 40.960 40.800 -0.096 0.000 0.918 233 D HN 0.205 nan 8.370 nan 0.000 0.503 234 T N -1.078 113.252 114.554 -0.373 0.000 3.085 234 T HA 0.189 4.539 4.350 -0.001 0.000 0.241 234 T C 0.512 174.747 174.700 -0.776 0.000 0.988 234 T CA 0.137 61.821 62.100 -0.694 0.000 1.117 234 T CB 0.747 68.942 68.868 -1.122 0.000 0.978 234 T HN -0.047 nan 8.240 nan 0.000 0.454 235 F N 0.730 120.442 119.950 -0.396 0.000 2.640 235 F HA 0.506 5.033 4.527 -0.001 0.000 0.324 235 F C 0.180 175.902 175.800 -0.131 0.000 1.077 235 F CA -1.473 56.310 58.000 -0.360 0.000 0.965 235 F CB 1.572 40.095 39.000 -0.795 0.000 1.351 235 F HN -0.194 nan 8.300 nan 0.000 0.487 236 E N 0.300 120.651 120.200 0.251 0.000 2.371 236 E HA 0.424 4.774 4.350 -0.001 0.000 0.257 236 E C -1.255 175.531 176.600 0.310 0.000 1.134 236 E CA -0.501 56.021 56.400 0.203 0.000 0.919 236 E CB 1.567 31.360 29.700 0.155 0.000 1.025 236 E HN 0.159 nan 8.360 nan 0.000 0.438 237 V N 3.018 122.932 119.914 -0.001 0.000 2.444 237 V HA 0.210 4.330 4.120 -0.001 0.000 0.294 237 V C -0.167 175.721 176.094 -0.343 0.000 1.022 237 V CA -0.852 61.209 62.300 -0.399 0.000 0.850 237 V CB 1.326 32.727 31.823 -0.704 0.000 0.992 237 V HN 0.501 nan 8.190 nan 0.000 0.426 238 K N 3.620 123.748 120.400 -0.453 0.000 2.095 238 K HA 0.430 4.750 4.320 -0.001 0.000 0.252 238 K C 1.080 177.598 176.600 -0.136 0.000 0.977 238 K CA -0.755 55.472 56.287 -0.100 0.000 0.900 238 K CB 1.891 34.503 32.500 0.188 0.000 1.060 238 K HN 0.726 nan 8.250 nan 0.000 0.449 239 R N -0.269 120.202 120.500 -0.048 0.000 2.189 239 R HA -0.020 4.320 4.340 -0.001 0.000 0.218 239 R C -0.572 175.729 176.300 0.001 0.000 1.074 239 R CA 0.562 56.642 56.100 -0.033 0.000 0.991 239 R CB -0.306 29.983 30.300 -0.019 0.000 0.883 239 R HN 0.450 nan 8.270 nan 0.000 0.457 240 D N 3.630 124.051 120.400 0.035 0.000 2.493 240 D HA -0.010 4.630 4.640 -0.001 0.000 0.240 240 D C -1.574 174.755 176.300 0.047 0.000 1.142 240 D CA -1.120 52.906 54.000 0.044 0.000 0.872 240 D CB 0.861 41.697 40.800 0.060 0.000 1.173 240 D HN 0.087 nan 8.370 nan 0.000 0.467 241 P HA -0.173 nan 4.420 nan 0.000 0.225 241 P C 0.782 178.085 177.300 0.005 0.000 1.148 241 P CA 0.987 64.091 63.100 0.008 0.000 0.779 241 P CB 0.106 31.804 31.700 -0.003 0.000 0.780 242 E N -1.420 118.789 120.200 0.014 0.000 2.489 242 E HA -0.088 4.262 4.350 -0.001 0.000 0.193 242 E C 0.718 177.305 176.600 -0.022 0.000 1.057 242 E CA -0.383 56.013 56.400 -0.007 0.000 0.866 242 E CB -0.498 29.199 29.700 -0.005 0.000 0.916 242 E HN 0.220 nan 8.360 nan 0.000 0.500 243 H N 1.552 120.577 119.070 -0.076 0.000 2.848 243 H HA 0.007 4.562 4.556 -0.001 0.000 0.341 243 H C 1.423 176.615 175.328 -0.226 0.000 1.060 243 H CA -0.057 55.923 56.048 -0.113 0.000 1.444 243 H CB 0.964 30.678 29.762 -0.080 0.000 1.446 243 H HN 0.134 nan 8.280 nan 0.000 0.583 244 I N 4.925 125.350 120.570 -0.242 0.000 2.163 244 I HA -0.347 3.823 4.170 -0.001 0.000 0.243 244 I C 2.172 178.006 176.117 -0.472 0.000 1.085 244 I CA 1.291 62.318 61.300 -0.456 0.000 1.347 244 I CB -1.306 36.190 38.000 -0.840 0.000 1.044 244 I HN 0.697 nan 8.210 nan 0.000 0.408 245 Y N 2.139 122.017 120.300 -0.702 0.000 2.128 245 Y HA -0.302 4.247 4.550 -0.001 0.000 0.284 245 Y C 2.778 178.444 175.900 -0.390 0.000 1.154 245 Y CA 1.846 59.507 58.100 -0.732 0.000 1.149 245 Y CB -0.077 37.788 38.460 -0.992 0.000 0.976 245 Y HN 0.214 nan 8.280 nan 0.000 0.505 246 Q N 0.319 120.070 119.800 -0.082 0.000 2.084 246 Q HA -0.226 4.113 4.340 -0.001 0.000 0.202 246 Q C 2.178 178.078 176.000 -0.166 0.000 0.978 246 Q CA 1.964 57.719 55.803 -0.080 0.000 0.844 246 Q CB -0.516 28.216 28.738 -0.009 0.000 0.898 246 Q HN 0.692 nan 8.270 nan 0.000 0.426 247 Q N -0.045 119.648 119.800 -0.178 0.000 2.020 247 Q HA -0.092 4.247 4.340 -0.001 0.000 0.202 247 Q C 2.306 178.167 176.000 -0.232 0.000 0.982 247 Q CA 1.486 57.184 55.803 -0.176 0.000 0.838 247 Q CB -0.097 28.544 28.738 -0.162 0.000 0.899 247 Q HN 0.176 nan 8.270 nan 0.000 0.423 248 V N 0.798 120.499 119.914 -0.354 0.000 2.407 248 V HA -0.225 3.895 4.120 -0.001 0.000 0.248 248 V C 2.187 178.068 176.094 -0.356 0.000 1.055 248 V CA 1.779 63.826 62.300 -0.423 0.000 1.049 248 V CB -0.459 30.881 31.823 -0.805 0.000 0.662 248 V HN 0.283 nan 8.190 nan 0.000 0.455 249 S N -0.387 115.076 115.700 -0.395 0.000 2.399 249 S HA -0.167 4.303 4.470 -0.001 0.000 0.231 249 S C 1.753 176.239 174.600 -0.191 0.000 1.022 249 S CA 1.205 59.205 58.200 -0.332 0.000 0.983 249 S CB -0.233 62.713 63.200 -0.423 0.000 0.803 249 S HN 0.621 nan 8.310 nan 0.000 0.480 250 K N 0.441 120.744 120.400 -0.161 0.000 2.487 250 K HA 0.196 4.516 4.320 -0.001 0.000 0.192 250 K C 1.101 177.651 176.600 -0.083 0.000 1.027 250 K CA 0.422 56.648 56.287 -0.101 0.000 1.054 250 K CB 0.105 32.555 32.500 -0.084 0.000 0.824 250 K HN 0.400 nan 8.250 nan 0.000 0.510 251 G N 1.375 110.116 108.800 -0.099 0.000 2.136 251 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.242 251 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.242 251 G C 0.010 174.872 174.900 -0.063 0.000 0.989 251 G CA 0.120 45.180 45.100 -0.067 0.000 0.682 251 G HN 0.264 nan 8.290 nan 0.000 0.522 252 T N 0.923 115.423 114.554 -0.090 0.000 2.794 252 T HA 0.594 4.944 4.350 -0.001 0.000 0.280 252 T C 0.430 175.071 174.700 -0.099 0.000 0.987 252 T CA -0.372 61.682 62.100 -0.077 0.000 0.993 252 T CB 1.311 70.136 68.868 -0.072 0.000 0.939 252 T HN 0.286 nan 8.240 nan 0.000 0.449 253 L N 6.561 127.742 121.223 -0.069 0.000 2.259 253 L HA 0.343 4.682 4.340 -0.001 0.000 0.288 253 L C -1.736 175.116 176.870 -0.031 0.000 1.051 253 L CA -1.980 52.818 54.840 -0.070 0.000 0.824 253 L CB 0.608 42.624 42.059 -0.071 0.000 1.206 253 L HN 0.374 nan 8.230 nan 0.000 0.429 254 P HA 0.075 nan 4.420 nan 0.000 0.269 254 P C -0.252 177.096 177.300 0.080 0.000 1.215 254 P CA -0.419 62.685 63.100 0.006 0.000 0.780 254 P CB 0.713 32.395 31.700 -0.031 0.000 0.898 255 A N 1.525 124.412 122.820 0.111 0.000 2.531 255 A HA 0.388 4.708 4.320 -0.001 0.000 0.236 255 A C 1.512 179.230 177.584 0.223 0.000 1.062 255 A CA 0.685 52.823 52.037 0.168 0.000 0.760 255 A CB -1.378 17.752 19.000 0.217 0.000 0.995 255 A HN 0.965 nan 8.150 nan 0.000 0.501 256 G N 1.157 110.097 108.800 0.234 0.000 2.155 256 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.257 256 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.257 256 G C 0.729 175.876 174.900 0.411 0.000 0.983 256 G CA 0.684 45.968 45.100 0.308 0.000 0.676 256 G HN 1.393 nan 8.290 nan 0.000 0.528 257 I N 0.813 121.569 120.570 0.310 0.000 2.567 257 I HA 0.041 4.211 4.170 -0.001 0.000 0.257 257 I C 2.191 178.443 176.117 0.225 0.000 1.184 257 I CA 2.063 63.585 61.300 0.369 0.000 1.451 257 I CB -0.163 37.903 38.000 0.110 0.000 1.089 257 I HN 0.322 nan 8.210 nan 0.000 0.441 258 E N -0.388 119.777 120.200 -0.059 0.000 2.171 258 E HA -0.253 4.097 4.350 -0.001 0.000 0.197 258 E C 1.566 177.975 176.600 -0.317 0.000 0.997 258 E CA 1.576 57.742 56.400 -0.389 0.000 0.810 258 E CB -0.469 28.583 29.700 -1.081 0.000 0.738 258 E HN 0.665 nan 8.360 nan 0.000 0.467 259 Y N -1.855 118.442 120.300 -0.005 0.000 2.529 259 Y HA -0.017 4.533 4.550 -0.001 0.000 0.290 259 Y C 0.741 176.500 175.900 -0.236 0.000 1.177 259 Y CA -0.004 58.018 58.100 -0.130 0.000 1.305 259 Y CB 0.242 38.541 38.460 -0.267 0.000 1.047 259 Y HN 0.131 nan 8.280 nan 0.000 0.522 260 W N 0.382 121.874 121.300 0.320 0.000 2.926 260 W HA 0.163 4.822 4.660 -0.001 0.000 0.419 260 W C 1.586 178.307 176.519 0.336 0.000 0.993 260 W CA -0.262 57.306 57.345 0.373 0.000 2.025 260 W CB -0.249 29.542 29.460 0.551 0.000 1.152 260 W HN 0.262 nan 8.180 nan 0.000 0.659 261 Q N 1.889 121.898 119.800 0.349 0.000 2.112 261 Q HA -0.198 4.141 4.340 -0.001 0.000 0.206 261 Q C -0.712 175.591 176.000 0.504 0.000 0.987 261 Q CA 1.999 57.999 55.803 0.329 0.000 0.858 261 Q CB -0.784 28.135 28.738 0.302 0.000 0.905 261 Q HN 0.035 nan 8.270 nan 0.000 0.420 262 P HA -0.154 nan 4.420 nan 0.000 0.219 262 P C 0.907 178.387 177.300 0.301 0.000 1.146 262 P CA 1.136 64.427 63.100 0.318 0.000 0.808 262 P CB -0.139 31.652 31.700 0.151 0.000 0.779 263 L N -2.964 118.389 121.223 0.218 0.000 2.362 263 L HA -0.061 4.279 4.340 -0.001 0.000 0.219 263 L C 1.650 178.479 176.870 -0.068 0.000 1.134 263 L CA 0.903 55.709 54.840 -0.057 0.000 0.807 263 L CB -0.763 41.005 42.059 -0.484 0.000 0.927 263 L HN -0.060 nan 8.230 nan 0.000 0.447 264 F N -1.180 118.865 119.950 0.159 0.000 2.811 264 F HA 0.104 4.630 4.527 -0.001 0.000 0.301 264 F C 0.541 176.107 175.800 -0.390 0.000 1.151 264 F CA 0.068 58.017 58.000 -0.084 0.000 1.412 264 F CB -0.038 38.814 39.000 -0.246 0.000 1.113 264 F HN -0.158 nan 8.300 nan 0.000 0.579 265 F N -0.959 119.109 119.950 0.198 0.000 2.532 265 F HA 0.239 4.765 4.527 -0.001 0.000 0.321 265 F C 1.278 177.131 175.800 0.088 0.000 1.089 265 F CA -0.909 57.166 58.000 0.126 0.000 0.926 265 F CB 1.562 40.618 39.000 0.093 0.000 1.168 265 F HN -0.263 nan 8.300 nan 0.000 0.459 266 S N -0.346 115.517 115.700 0.272 0.000 2.527 266 S HA 0.153 4.623 4.470 -0.001 0.000 0.222 266 S C 0.127 174.813 174.600 0.142 0.000 0.985 266 S CA 0.211 58.510 58.200 0.165 0.000 0.921 266 S CB -0.384 62.899 63.200 0.138 0.000 0.772 266 S HN 0.701 nan 8.310 nan 0.000 0.529 267 E N 1.229 121.532 120.200 0.171 0.000 2.359 267 E HA 0.517 4.867 4.350 -0.001 0.000 0.266 267 E C -2.971 173.677 176.600 0.079 0.000 0.920 267 E CA -2.868 53.594 56.400 0.104 0.000 0.788 267 E CB 0.985 30.738 29.700 0.089 0.000 1.279 267 E HN 0.113 nan 8.360 nan 0.000 0.438 268 P HA 0.048 nan 4.420 nan 0.000 0.269 268 P C -0.659 176.620 177.300 -0.035 0.000 1.209 268 P CA -0.027 63.079 63.100 0.009 0.000 0.776 268 P CB 0.420 32.122 31.700 0.004 0.000 0.876 269 L N 4.382 125.564 121.223 -0.068 0.000 2.410 269 L HA 0.213 4.553 4.340 -0.001 0.000 0.273 269 L C -1.622 175.205 176.870 -0.072 0.000 1.152 269 L CA -1.710 53.051 54.840 -0.132 0.000 0.855 269 L CB 0.073 42.044 42.059 -0.146 0.000 1.129 269 L HN 0.269 nan 8.230 nan 0.000 0.463 270 P HA 0.213 nan 4.420 nan 0.000 0.274 270 P C -2.628 174.680 177.300 0.013 0.000 1.246 270 P CA -1.613 61.490 63.100 0.006 0.000 0.795 270 P CB -0.146 31.579 31.700 0.042 0.000 1.006 271 P HA 0.007 nan 4.420 nan 0.000 0.269 271 P C 1.081 178.388 177.300 0.012 0.000 1.215 271 P CA -0.197 62.947 63.100 0.074 0.000 0.780 271 P CB 0.235 32.061 31.700 0.210 0.000 0.898 272 L N 2.387 123.516 121.223 -0.156 0.000 2.127 272 L HA -0.136 4.204 4.340 -0.001 0.000 0.211 272 L C 1.922 178.368 176.870 -0.707 0.000 1.089 272 L CA 1.675 56.283 54.840 -0.386 0.000 0.757 272 L CB -1.303 40.464 42.059 -0.486 0.000 0.899 272 L HN 0.220 nan 8.230 nan 0.000 0.434 273 F N -0.093 119.399 119.950 -0.763 0.000 2.236 273 F HA -0.268 4.258 4.527 -0.001 0.000 0.302 273 F C 2.752 178.266 175.800 -0.476 0.000 1.073 273 F CA 1.435 58.797 58.000 -1.063 0.000 1.336 273 F CB -1.098 37.697 39.000 -0.341 0.000 1.040 273 F HN 0.363 nan 8.300 nan 0.000 0.507 274 S N -1.221 114.486 115.700 0.012 0.000 2.474 274 S HA -0.215 4.255 4.470 -0.001 0.000 0.235 274 S C 1.636 176.283 174.600 0.078 0.000 0.997 274 S CA 0.875 59.132 58.200 0.095 0.000 0.949 274 S CB -0.907 62.345 63.200 0.086 0.000 0.766 274 S HN 0.417 nan 8.310 nan 0.000 0.517 275 Y N 0.768 121.002 120.300 -0.110 0.000 2.475 275 Y HA 0.369 4.919 4.550 -0.001 0.000 0.289 275 Y C 0.502 176.478 175.900 0.127 0.000 1.121 275 Y CA -0.958 57.137 58.100 -0.009 0.000 1.257 275 Y CB -0.247 38.228 38.460 0.025 0.000 1.026 275 Y HN 0.177 nan 8.280 nan 0.000 0.555 276 F N 2.459 122.476 119.950 0.111 0.000 2.538 276 F HA 0.227 4.753 4.527 -0.001 0.000 0.371 276 F C -1.740 174.127 175.800 0.112 0.000 1.087 276 F CA -4.046 53.936 58.000 -0.030 0.000 1.250 276 F CB -0.635 38.129 39.000 -0.393 0.000 1.110 276 F HN -0.111 nan 8.300 nan 0.000 0.570 277 P HA 0.059 nan 4.420 nan 0.000 0.268 277 P C 0.299 177.827 177.300 0.380 0.000 1.208 277 P CA 0.122 63.356 63.100 0.223 0.000 0.777 277 P CB 0.626 32.396 31.700 0.118 0.000 0.875 278 A N 2.918 125.920 122.820 0.303 0.000 2.019 278 A HA -0.194 4.126 4.320 -0.001 0.000 0.219 278 A C 1.363 179.150 177.584 0.338 0.000 1.164 278 A CA 1.790 54.014 52.037 0.310 0.000 0.644 278 A CB -1.390 17.689 19.000 0.132 0.000 0.805 278 A HN 0.819 nan 8.150 nan 0.000 0.449 279 N N -1.201 117.658 118.700 0.266 0.000 2.346 279 N HA 0.068 4.808 4.740 -0.001 0.000 0.225 279 N C -0.474 175.246 175.510 0.351 0.000 1.144 279 N CA 0.022 53.221 53.050 0.248 0.000 0.837 279 N CB 0.051 38.606 38.487 0.113 0.000 1.069 279 N HN 0.045 nan 8.380 nan 0.000 0.487 280 T N 1.552 116.329 114.554 0.372 0.000 2.851 280 T HA 0.172 4.522 4.350 -0.001 0.000 0.298 280 T C -0.395 174.398 174.700 0.154 0.000 0.977 280 T CA -0.337 61.869 62.100 0.176 0.000 1.126 280 T CB 1.109 69.886 68.868 -0.152 0.000 0.916 280 T HN 0.200 nan 8.240 nan 0.000 0.529 281 L N 5.500 126.665 121.223 -0.096 0.000 2.295 281 L HA 0.566 4.905 4.340 -0.001 0.000 0.285 281 L C -0.866 175.877 176.870 -0.211 0.000 1.035 281 L CA -0.405 54.280 54.840 -0.258 0.000 0.806 281 L CB 0.595 42.181 42.059 -0.788 0.000 1.214 281 L HN 0.553 nan 8.230 nan 0.000 0.426 282 L N 5.485 126.642 121.223 -0.110 0.000 2.357 282 L HA 0.670 5.010 4.340 -0.001 0.000 0.273 282 L C -0.622 176.192 176.870 -0.094 0.000 1.080 282 L CA -0.804 53.964 54.840 -0.121 0.000 0.803 282 L CB 1.635 43.680 42.059 -0.023 0.000 1.174 282 L HN 0.390 nan 8.230 nan 0.000 0.443 283 V N 1.460 121.312 119.914 -0.104 0.000 2.876 283 V HA 0.510 4.629 4.120 -0.001 0.000 0.312 283 V C -0.865 175.189 176.094 -0.067 0.000 1.085 283 V CA -0.754 61.499 62.300 -0.078 0.000 0.945 283 V CB 2.204 33.974 31.823 -0.088 0.000 1.017 283 V HN 1.005 nan 8.190 nan 0.000 0.428 284 N N 0.539 119.211 118.700 -0.047 0.000 2.494 284 N HA 0.788 5.527 4.740 -0.001 0.000 0.270 284 N C -0.776 174.713 175.510 -0.036 0.000 1.285 284 N CA -0.492 52.535 53.050 -0.038 0.000 0.812 284 N CB 2.459 40.938 38.487 -0.013 0.000 1.557 284 N HN 0.685 nan 8.380 nan 0.000 0.487 285 T N -2.022 112.512 114.554 -0.033 0.000 2.938 285 T HA 0.847 5.196 4.350 -0.001 0.000 0.285 285 T C 0.888 175.580 174.700 -0.013 0.000 1.028 285 T CA -0.131 61.951 62.100 -0.031 0.000 1.005 285 T CB 0.785 69.631 68.868 -0.036 0.000 1.157 285 T HN 1.338 nan 8.240 nan 0.000 0.550 286 G N 0.741 109.535 108.800 -0.009 0.000 2.575 286 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.267 286 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.267 286 G C -0.695 174.218 174.900 0.021 0.000 1.264 286 G CA 0.311 45.414 45.100 0.004 0.000 0.935 286 G HN 1.097 nan 8.290 nan 0.000 0.568 287 D N 0.625 121.046 120.400 0.034 0.000 2.464 287 D HA 0.468 5.107 4.640 -0.001 0.000 0.243 287 D C 1.772 178.124 176.300 0.086 0.000 1.104 287 D CA -0.503 53.530 54.000 0.055 0.000 0.883 287 D CB 0.361 41.187 40.800 0.043 0.000 1.050 287 D HN 0.343 nan 8.370 nan 0.000 0.524 288 L N 2.241 123.539 121.223 0.125 0.000 2.141 288 L HA -0.082 4.257 4.340 -0.001 0.000 0.209 288 L C 2.087 179.130 176.870 0.288 0.000 1.094 288 L CA 0.924 55.864 54.840 0.165 0.000 0.763 288 L CB -0.006 42.160 42.059 0.178 0.000 0.908 288 L HN 0.483 nan 8.230 nan 0.000 0.437 289 E N -0.174 120.226 120.200 0.335 0.000 2.046 289 E HA -0.166 4.183 4.350 -0.001 0.000 0.190 289 E C 1.929 178.638 176.600 0.182 0.000 0.982 289 E CA 1.672 58.261 56.400 0.315 0.000 0.800 289 E CB 0.188 29.921 29.700 0.056 0.000 0.756 289 E HN 0.308 nan 8.360 nan 0.000 0.449 290 T N -0.125 114.497 114.554 0.114 0.000 2.857 290 T HA -0.059 4.290 4.350 -0.001 0.000 0.266 290 T C 2.037 176.790 174.700 0.088 0.000 1.048 290 T CA 1.059 63.207 62.100 0.080 0.000 1.139 290 T CB -0.130 68.770 68.868 0.052 0.000 0.874 290 T HN 0.045 nan 8.240 nan 0.000 0.455 291 S N 1.485 117.240 115.700 0.091 0.000 2.356 291 S HA -0.022 4.448 4.470 -0.001 0.000 0.223 291 S C 2.611 177.279 174.600 0.112 0.000 1.032 291 S CA 1.002 59.249 58.200 0.079 0.000 1.005 291 S CB -0.562 62.666 63.200 0.047 0.000 0.867 291 S HN 0.592 nan 8.310 nan 0.000 0.449 292 A N 1.350 124.252 122.820 0.137 0.000 1.933 292 A HA -0.151 4.168 4.320 -0.001 0.000 0.218 292 A C 1.983 179.674 177.584 0.178 0.000 1.175 292 A CA 1.546 53.685 52.037 0.169 0.000 0.628 292 A CB -0.520 18.589 19.000 0.181 0.000 0.814 292 A HN 0.554 nan 8.150 nan 0.000 0.444 293 E N -0.951 119.338 120.200 0.148 0.000 2.072 293 E HA -0.174 4.175 4.350 -0.001 0.000 0.191 293 E C 2.277 178.917 176.600 0.066 0.000 0.985 293 E CA 1.129 57.588 56.400 0.099 0.000 0.801 293 E CB -0.134 29.613 29.700 0.078 0.000 0.750 293 E HN 0.620 nan 8.360 nan 0.000 0.452 294 R N 0.204 120.751 120.500 0.079 0.000 2.081 294 R HA -0.185 4.154 4.340 -0.001 0.000 0.235 294 R C 2.137 178.481 176.300 0.074 0.000 1.131 294 R CA 1.361 57.498 56.100 0.063 0.000 0.960 294 R CB -0.338 30.004 30.300 0.070 0.000 0.856 294 R HN 0.141 nan 8.270 nan 0.000 0.436 295 F N 1.636 121.558 119.950 -0.047 0.000 2.102 295 F HA -0.194 4.333 4.527 -0.001 0.000 0.298 295 F C 2.456 178.170 175.800 -0.143 0.000 1.105 295 F CA 2.144 60.084 58.000 -0.100 0.000 1.239 295 F CB -0.665 38.276 39.000 -0.100 0.000 0.991 295 F HN 0.161 nan 8.300 nan 0.000 0.474 296 Q N 0.187 119.898 119.800 -0.148 0.000 2.061 296 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 296 Q C 2.251 178.099 176.000 -0.252 0.000 0.984 296 Q CA 2.022 57.682 55.803 -0.239 0.000 0.846 296 Q CB -0.458 28.252 28.738 -0.047 0.000 0.902 296 Q HN 0.472 nan 8.270 nan 0.000 0.421 297 A N 0.546 123.279 122.820 -0.145 0.000 1.933 297 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 297 A C 1.683 179.166 177.584 -0.168 0.000 1.175 297 A CA 1.768 53.736 52.037 -0.114 0.000 0.628 297 A CB -0.540 18.427 19.000 -0.054 0.000 0.814 297 A HN 0.473 nan 8.150 nan 0.000 0.444 298 D N -0.836 119.421 120.400 -0.238 0.000 2.149 298 D HA -0.057 4.583 4.640 -0.001 0.000 0.201 298 D C 1.977 178.061 176.300 -0.360 0.000 0.972 298 D CA 1.710 55.566 54.000 -0.240 0.000 0.835 298 D CB -0.395 40.299 40.800 -0.177 0.000 0.966 298 D HN 0.384 nan 8.370 nan 0.000 0.476 299 T N 0.985 115.154 114.554 -0.642 0.000 2.857 299 T HA -0.091 4.258 4.350 -0.001 0.000 0.266 299 T C 1.803 176.322 174.700 -0.301 0.000 1.048 299 T CA 0.267 61.920 62.100 -0.745 0.000 1.139 299 T CB -0.126 67.927 68.868 -1.358 0.000 0.874 299 T HN 0.019 nan 8.240 nan 0.000 0.455 300 L N 1.733 122.832 121.223 -0.207 0.000 2.046 300 L HA 0.134 4.474 4.340 -0.001 0.000 0.208 300 L C 2.612 179.500 176.870 0.030 0.000 1.077 300 L CA 1.718 56.545 54.840 -0.022 0.000 0.747 300 L CB -1.225 40.817 42.059 -0.029 0.000 0.896 300 L HN 0.221 nan 8.230 nan 0.000 0.432 301 A N -0.559 122.235 122.820 -0.044 0.000 1.908 301 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 301 A C 2.307 179.875 177.584 -0.026 0.000 1.181 301 A CA 1.486 53.501 52.037 -0.036 0.000 0.627 301 A CB -0.494 18.474 19.000 -0.053 0.000 0.818 301 A HN 0.421 nan 8.150 nan 0.000 0.445 302 R N -1.549 118.940 120.500 -0.018 0.000 2.081 302 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 302 R C 1.913 178.233 176.300 0.033 0.000 1.131 302 R CA 1.454 57.575 56.100 0.036 0.000 0.960 302 R CB -1.152 29.195 30.300 0.078 0.000 0.856 302 R HN 0.635 nan 8.270 nan 0.000 0.436 303 F N 2.298 122.178 119.950 -0.117 0.000 2.102 303 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 303 F C 1.945 177.599 175.800 -0.243 0.000 1.105 303 F CA 1.495 59.295 58.000 -0.333 0.000 1.239 303 F CB -0.183 38.725 39.000 -0.154 0.000 0.991 303 F HN 0.017 nan 8.300 nan 0.000 0.474 304 E N -0.416 119.669 120.200 -0.191 0.000 2.150 304 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 304 E C 1.543 177.999 176.600 -0.241 0.000 0.985 304 E CA 1.369 57.611 56.400 -0.264 0.000 0.814 304 E CB -0.246 29.399 29.700 -0.092 0.000 0.752 304 E HN 0.494 nan 8.360 nan 0.000 0.466 305 N N -0.308 118.287 118.700 -0.175 0.000 2.392 305 N HA 0.071 4.811 4.740 -0.001 0.000 0.177 305 N C 0.964 176.386 175.510 -0.147 0.000 1.066 305 N CA 0.240 53.210 53.050 -0.133 0.000 0.895 305 N CB 0.490 38.926 38.487 -0.084 0.000 0.988 305 N HN -0.079 nan 8.380 nan 0.000 0.457 306 R N -0.742 119.637 120.500 -0.201 0.000 2.508 306 R HA 0.244 4.584 4.340 -0.001 0.000 0.300 306 R C 0.771 176.927 176.300 -0.241 0.000 0.970 306 R CA -0.033 55.957 56.100 -0.183 0.000 1.102 306 R CB 0.958 31.168 30.300 -0.149 0.000 1.246 306 R HN 0.031 nan 8.270 nan 0.000 0.539 307 G N 0.182 108.780 108.800 -0.337 0.000 3.371 307 G HA2 0.071 4.031 3.960 -0.001 0.000 0.248 307 G HA3 0.071 4.031 3.960 -0.001 0.000 0.248 307 G C 0.714 175.469 174.900 -0.241 0.000 1.161 307 G CA -0.043 44.827 45.100 -0.384 0.000 0.796 307 G HN 0.056 nan 8.290 nan 0.000 0.539 308 V N 0.031 119.844 119.914 -0.169 0.000 3.528 308 V HA 0.142 4.261 4.120 -0.001 0.000 0.294 308 V C -0.068 175.980 176.094 -0.077 0.000 1.404 308 V CA -0.041 62.189 62.300 -0.116 0.000 1.065 308 V CB 0.724 32.483 31.823 -0.105 0.000 0.904 308 V HN 0.260 nan 8.190 nan 0.000 0.435 309 D N 1.050 121.407 120.400 -0.072 0.000 2.313 309 D HA 0.229 4.869 4.640 -0.001 0.000 0.239 309 D C -1.317 174.952 176.300 -0.053 0.000 1.142 309 D CA -2.146 51.825 54.000 -0.048 0.000 0.847 309 D CB 2.045 42.827 40.800 -0.030 0.000 1.082 309 D HN 0.111 nan 8.370 nan 0.000 0.480 310 P HA -0.101 nan 4.420 nan 0.000 0.226 310 P C 1.310 178.549 177.300 -0.102 0.000 1.153 310 P CA 0.674 63.758 63.100 -0.027 0.000 0.777 310 P CB 0.243 31.950 31.700 0.011 0.000 0.794 311 M N -0.855 118.645 119.600 -0.167 0.000 2.388 311 M HA 0.020 4.500 4.480 -0.001 0.000 0.265 311 M C 1.070 177.102 176.300 -0.447 0.000 1.088 311 M CA 1.076 56.144 55.300 -0.387 0.000 1.134 311 M CB -0.501 31.991 32.600 -0.181 0.000 1.384 311 M HN -0.062 nan 8.290 nan 0.000 0.447 312 R N 0.982 121.393 120.500 -0.148 0.000 2.738 312 R HA 0.287 4.626 4.340 -0.001 0.000 0.280 312 R C -2.490 173.907 176.300 0.161 0.000 1.456 312 R CA -1.260 54.898 56.100 0.096 0.000 1.612 312 R CB 0.473 30.923 30.300 0.250 0.000 1.286 312 R HN 0.072 nan 8.270 nan 0.000 0.660 313 P HA 0.051 nan 4.420 nan 0.000 0.271 313 P C -0.372 176.813 177.300 -0.192 0.000 1.216 313 P CA 0.157 63.096 63.100 -0.268 0.000 0.776 313 P CB 1.050 32.371 31.700 -0.632 0.000 0.881 314 L N 2.810 124.026 121.223 -0.013 0.000 2.322 314 L HA 0.431 4.770 4.340 -0.001 0.000 0.279 314 L C 0.844 178.011 176.870 0.494 0.000 1.036 314 L CA -1.296 53.620 54.840 0.127 0.000 0.807 314 L CB 0.722 42.647 42.059 -0.223 0.000 1.226 314 L HN 0.213 nan 8.230 nan 0.000 0.433 315 L N 3.474 124.986 121.223 0.482 0.000 2.461 315 L HA 0.201 4.540 4.340 -0.001 0.000 0.272 315 L C -1.856 175.169 176.870 0.257 0.000 1.197 315 L CA -1.641 53.441 54.840 0.405 0.000 0.836 315 L CB 0.159 42.374 42.059 0.261 0.000 1.105 315 L HN 0.347 nan 8.230 nan 0.000 0.477 316 P HA 0.064 nan 4.420 nan 0.000 0.268 316 P C -2.285 174.918 177.300 -0.162 0.000 1.205 316 P CA -1.338 61.528 63.100 -0.390 0.000 0.771 316 P CB 0.181 31.742 31.700 -0.232 0.000 0.858 317 P HA -0.225 nan 4.420 nan 0.000 0.216 317 P C 1.830 179.265 177.300 0.225 0.000 1.150 317 P CA 1.780 65.032 63.100 0.253 0.000 0.843 317 P CB -0.303 31.447 31.700 0.084 0.000 0.787 318 Q N 0.173 120.003 119.800 0.050 0.000 2.248 318 Q HA -0.173 4.166 4.340 -0.001 0.000 0.208 318 Q C 1.885 177.893 176.000 0.013 0.000 0.984 318 Q CA 2.325 58.154 55.803 0.044 0.000 0.875 318 Q CB -1.470 27.269 28.738 0.000 0.000 0.910 318 Q HN 0.351 nan 8.270 nan 0.000 0.433 319 S N 0.171 115.864 115.700 -0.012 0.000 2.447 319 S HA -0.042 4.428 4.470 -0.001 0.000 0.233 319 S C 1.729 176.256 174.600 -0.121 0.000 1.006 319 S CA 0.862 59.038 58.200 -0.040 0.000 0.957 319 S CB -0.089 63.104 63.200 -0.013 0.000 0.773 319 S HN 0.401 nan 8.310 nan 0.000 0.507 320 L N -1.541 119.533 121.223 -0.249 0.000 2.717 320 L HA 0.486 4.826 4.340 -0.001 0.000 0.239 320 L C 0.221 176.638 176.870 -0.756 0.000 1.086 320 L CA -0.237 54.221 54.840 -0.637 0.000 0.897 320 L CB 0.317 41.641 42.059 -1.225 0.000 1.214 320 L HN 0.326 nan 8.230 nan 0.000 0.508 321 W N 0.730 122.033 121.300 0.005 0.000 2.915 321 W HA 0.491 5.150 4.660 -0.001 0.000 0.337 321 W C -0.682 175.855 176.519 0.029 0.000 1.102 321 W CA -1.305 56.060 57.345 0.034 0.000 1.224 321 W CB 1.459 30.957 29.460 0.062 0.000 1.416 321 W HN -0.266 nan 8.180 nan 0.000 0.503 322 L N 3.732 125.110 121.223 0.257 0.000 2.485 322 L HA 0.136 4.475 4.340 -0.001 0.000 0.275 322 L C 1.167 178.148 176.870 0.184 0.000 1.207 322 L CA -0.183 54.764 54.840 0.178 0.000 0.855 322 L CB -0.066 42.089 42.059 0.159 0.000 1.114 322 L HN 0.170 nan 8.230 nan 0.000 0.485 323 R N 1.718 122.293 120.500 0.126 0.000 2.707 323 R HA 0.087 4.426 4.340 -0.001 0.000 0.270 323 R C 1.132 177.509 176.300 0.128 0.000 1.083 323 R CA -0.408 55.757 56.100 0.108 0.000 1.182 323 R CB 0.454 30.800 30.300 0.078 0.000 1.084 323 R HN 0.423 nan 8.270 nan 0.000 0.528 324 V N 1.587 121.586 119.914 0.142 0.000 2.407 324 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 324 V C 2.003 178.269 176.094 0.286 0.000 1.055 324 V CA 2.347 64.775 62.300 0.213 0.000 1.049 324 V CB -0.605 31.356 31.823 0.229 0.000 0.662 324 V HN 0.783 nan 8.190 nan 0.000 0.455 325 D N 0.133 120.650 120.400 0.195 0.000 2.178 325 D HA -0.225 4.414 4.640 -0.001 0.000 0.202 325 D C 1.767 178.155 176.300 0.147 0.000 0.974 325 D CA 1.359 55.467 54.000 0.181 0.000 0.841 325 D CB -0.273 40.585 40.800 0.097 0.000 0.953 325 D HN 0.561 nan 8.370 nan 0.000 0.478 326 E N -0.121 120.140 120.200 0.101 0.000 2.106 326 E HA -0.109 4.241 4.350 -0.001 0.000 0.192 326 E C 2.193 178.805 176.600 0.019 0.000 0.984 326 E CA 0.485 56.919 56.400 0.055 0.000 0.806 326 E CB -0.115 29.617 29.700 0.054 0.000 0.750 326 E HN 0.207 nan 8.360 nan 0.000 0.458 327 L N 0.153 121.395 121.223 0.031 0.000 2.017 327 L HA -0.137 4.203 4.340 -0.001 0.000 0.208 327 L C 1.893 178.642 176.870 -0.203 0.000 1.073 327 L CA 1.697 56.491 54.840 -0.076 0.000 0.745 327 L CB -0.415 41.572 42.059 -0.121 0.000 0.894 327 L HN 0.006 nan 8.230 nan 0.000 0.432 328 F N -0.997 118.967 119.950 0.022 0.000 2.365 328 F HA -0.101 4.426 4.527 -0.001 0.000 0.300 328 F C 2.722 178.505 175.800 -0.029 0.000 1.090 328 F CA 1.283 59.289 58.000 0.011 0.000 1.408 328 F CB -0.595 38.419 39.000 0.023 0.000 1.060 328 F HN 0.086 nan 8.300 nan 0.000 0.534 329 S N -0.470 115.282 115.700 0.087 0.000 2.383 329 S HA -0.135 4.335 4.470 -0.001 0.000 0.227 329 S C 2.104 176.646 174.600 -0.097 0.000 1.026 329 S CA 1.019 59.222 58.200 0.006 0.000 0.981 329 S CB -0.118 63.081 63.200 -0.002 0.000 0.818 329 S HN 0.287 nan 8.310 nan 0.000 0.472 330 E N 0.997 121.054 120.200 -0.240 0.000 2.107 330 E HA 0.003 4.352 4.350 -0.001 0.000 0.191 330 E C 2.070 178.441 176.600 -0.382 0.000 0.982 330 E CA 0.585 56.677 56.400 -0.514 0.000 0.809 330 E CB -0.344 28.643 29.700 -1.188 0.000 0.756 330 E HN 0.481 nan 8.360 nan 0.000 0.459 331 L N 0.788 121.870 121.223 -0.235 0.000 2.191 331 L HA -0.151 4.189 4.340 -0.001 0.000 0.212 331 L C 2.294 179.263 176.870 0.166 0.000 1.103 331 L CA 1.010 55.897 54.840 0.078 0.000 0.769 331 L CB -0.269 41.835 42.059 0.075 0.000 0.908 331 L HN 0.003 nan 8.230 nan 0.000 0.438 332 K N 0.003 120.442 120.400 0.064 0.000 2.360 332 K HA -0.099 4.221 4.320 -0.001 0.000 0.201 332 K C 1.320 177.895 176.600 -0.043 0.000 1.046 332 K CA 0.730 57.037 56.287 0.035 0.000 0.945 332 K CB -0.098 32.409 32.500 0.010 0.000 0.750 332 K HN 0.348 nan 8.250 nan 0.000 0.464 333 N N -0.562 118.052 118.700 -0.143 0.000 2.398 333 N HA -0.029 4.710 4.740 -0.001 0.000 0.188 333 N C -0.633 174.483 175.510 -0.658 0.000 1.122 333 N CA 0.599 53.375 53.050 -0.458 0.000 0.866 333 N CB 0.279 38.354 38.487 -0.687 0.000 0.970 333 N HN 0.135 nan 8.380 nan 0.000 0.462 334 W N 1.238 122.568 121.300 0.050 0.000 2.915 334 W HA 0.418 5.078 4.660 -0.001 0.000 0.337 334 W C -2.288 174.263 176.519 0.053 0.000 1.102 334 W CA -1.979 55.414 57.345 0.081 0.000 1.224 334 W CB 1.197 30.749 29.460 0.154 0.000 1.416 334 W HN -0.244 nan 8.180 nan 0.000 0.503 335 P HA 0.187 nan 4.420 nan 0.000 0.271 335 P C -0.803 176.577 177.300 0.134 0.000 1.216 335 P CA -0.183 63.006 63.100 0.148 0.000 0.776 335 P CB 1.424 33.184 31.700 0.101 0.000 0.881 336 R N 1.796 122.349 120.500 0.088 0.000 2.604 336 R HA 0.478 4.817 4.340 -0.001 0.000 0.281 336 R C -1.485 174.830 176.300 0.024 0.000 1.020 336 R CA -0.796 55.339 56.100 0.058 0.000 0.899 336 R CB 1.720 32.075 30.300 0.092 0.000 1.205 336 R HN 0.192 nan 8.270 nan 0.000 0.450 337 V N 4.557 124.465 119.914 -0.011 0.000 2.383 337 V HA 0.290 4.409 4.120 -0.001 0.000 0.275 337 V C -0.257 175.816 176.094 -0.035 0.000 1.036 337 V CA -0.534 61.748 62.300 -0.030 0.000 0.889 337 V CB 1.432 33.221 31.823 -0.055 0.000 0.985 337 V HN 0.748 nan 8.190 nan 0.000 0.459 338 Q N 4.833 124.613 119.800 -0.032 0.000 2.278 338 Q HA 0.591 4.930 4.340 -0.001 0.000 0.257 338 Q C -1.059 174.904 176.000 -0.063 0.000 0.928 338 Q CA -0.364 55.421 55.803 -0.030 0.000 0.932 338 Q CB 2.060 30.796 28.738 -0.003 0.000 1.221 338 Q HN 0.623 nan 8.270 nan 0.000 0.434 339 L N 3.258 124.441 121.223 -0.068 0.000 2.272 339 L HA 0.495 4.835 4.340 -0.001 0.000 0.289 339 L C -0.128 176.701 176.870 -0.068 0.000 1.032 339 L CA -0.491 54.294 54.840 -0.092 0.000 0.810 339 L CB 0.747 42.742 42.059 -0.106 0.000 1.205 339 L HN 0.394 nan 8.230 nan 0.000 0.422 340 K N 0.927 121.286 120.400 -0.069 0.000 2.371 340 K HA 0.335 4.655 4.320 -0.001 0.000 0.251 340 K C 0.678 177.252 176.600 -0.044 0.000 0.934 340 K CA -0.475 55.785 56.287 -0.045 0.000 0.798 340 K CB 2.564 35.044 32.500 -0.034 0.000 1.204 340 K HN 0.642 nan 8.250 nan 0.000 0.427 341 T N -2.064 112.474 114.554 -0.027 0.000 2.942 341 T HA -0.101 4.248 4.350 -0.001 0.000 0.265 341 T C 0.758 175.463 174.700 0.009 0.000 1.062 341 T CA 0.584 62.674 62.100 -0.017 0.000 1.139 341 T CB -0.105 68.756 68.868 -0.011 0.000 0.883 341 T HN 0.627 nan 8.240 nan 0.000 0.468 342 E N 1.762 121.971 120.200 0.015 0.000 2.374 342 E HA 0.064 4.414 4.350 -0.001 0.000 0.260 342 E C -0.793 175.846 176.600 0.065 0.000 1.101 342 E CA -0.653 55.774 56.400 0.046 0.000 0.907 342 E CB 0.419 30.143 29.700 0.040 0.000 1.014 342 E HN 0.563 nan 8.360 nan 0.000 0.427 343 H N 1.537 120.610 119.070 0.006 0.000 2.899 343 H HA 0.218 4.774 4.556 -0.001 0.000 0.303 343 H C -0.387 174.942 175.328 0.003 0.000 1.042 343 H CA -0.119 55.934 56.048 0.007 0.000 1.479 343 H CB 0.221 29.989 29.762 0.009 0.000 1.493 343 H HN 0.304 nan 8.280 nan 0.000 0.534 344 L N 7.812 128.955 121.223 -0.133 0.000 2.379 344 L HA 0.389 4.728 4.340 -0.001 0.000 0.269 344 L C -1.762 175.115 176.870 0.011 0.000 1.084 344 L CA -2.185 52.632 54.840 -0.039 0.000 0.802 344 L CB 1.109 43.124 42.059 -0.074 0.000 1.175 344 L HN 0.655 nan 8.230 nan 0.000 0.448 345 P HA 0.096 nan 4.420 nan 0.000 0.274 345 P C -0.681 176.631 177.300 0.020 0.000 1.246 345 P CA -0.461 62.672 63.100 0.055 0.000 0.795 345 P CB 0.394 32.121 31.700 0.045 0.000 1.006 346 T N 2.188 116.758 114.554 0.027 0.000 2.867 346 T HA 0.168 4.517 4.350 -0.001 0.000 0.297 346 T C 0.273 174.980 174.700 0.011 0.000 0.989 346 T CA 0.438 62.547 62.100 0.015 0.000 1.159 346 T CB -0.092 68.789 68.868 0.021 0.000 0.928 346 T HN 0.325 nan 8.240 nan 0.000 0.538 347 K N 0.583 120.987 120.400 0.007 0.000 2.551 347 K HA 0.548 4.867 4.320 -0.001 0.000 0.269 347 K C 0.982 177.588 176.600 0.010 0.000 0.949 347 K CA -0.710 55.581 56.287 0.008 0.000 0.849 347 K CB 1.693 34.197 32.500 0.006 0.000 1.411 347 K HN 0.434 nan 8.250 nan 0.000 0.432 348 A N 1.286 124.113 122.820 0.012 0.000 1.903 348 A HA -0.202 4.118 4.320 -0.001 0.000 0.219 348 A C 1.647 179.243 177.584 0.020 0.000 1.191 348 A CA 2.615 54.661 52.037 0.016 0.000 0.638 348 A CB -0.565 18.444 19.000 0.015 0.000 0.823 348 A HN 0.675 nan 8.150 nan 0.000 0.451 349 A N -1.180 121.650 122.820 0.017 0.000 2.251 349 A HA 0.221 4.540 4.320 -0.001 0.000 0.209 349 A C 0.342 177.933 177.584 0.012 0.000 1.187 349 A CA -0.079 51.970 52.037 0.019 0.000 0.823 349 A CB -0.230 18.780 19.000 0.017 0.000 0.846 349 A HN 0.486 nan 8.150 nan 0.000 0.486 350 N N 0.302 119.004 118.700 0.004 0.000 2.443 350 N HA 0.650 5.390 4.740 -0.001 0.000 0.295 350 N C -0.714 174.788 175.510 -0.014 0.000 1.076 350 N CA 0.229 53.270 53.050 -0.015 0.000 0.919 350 N CB 1.621 40.095 38.487 -0.023 0.000 1.176 350 N HN 0.246 nan 8.380 nan 0.000 0.487 351 A N 1.789 124.586 122.820 -0.037 0.000 2.398 351 A HA 0.517 4.837 4.320 -0.001 0.000 0.301 351 A C -0.876 176.655 177.584 -0.088 0.000 1.041 351 A CA -0.866 51.150 52.037 -0.034 0.000 0.711 351 A CB 0.835 19.852 19.000 0.030 0.000 1.240 351 A HN 0.552 nan 8.150 nan 0.000 0.420 352 N N 1.544 120.176 118.700 -0.113 0.000 2.518 352 N HA 0.428 5.167 4.740 -0.001 0.000 0.283 352 N C 0.457 175.914 175.510 -0.089 0.000 1.119 352 N CA -0.260 52.696 53.050 -0.157 0.000 0.983 352 N CB 1.630 39.935 38.487 -0.303 0.000 1.139 352 N HN 0.625 nan 8.380 nan 0.000 0.465 353 L N 0.407 121.593 121.223 -0.062 0.000 2.664 353 L HA 0.246 4.586 4.340 -0.001 0.000 0.233 353 L C 1.229 177.967 176.870 -0.221 0.000 1.113 353 L CA 0.042 54.843 54.840 -0.064 0.000 0.896 353 L CB 0.184 42.283 42.059 0.066 0.000 1.163 353 L HN 0.802 nan 8.230 nan 0.000 0.497 354 G N 0.187 108.907 108.800 -0.133 0.000 2.141 354 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.242 354 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.242 354 G C 0.054 174.844 174.900 -0.183 0.000 0.982 354 G CA -0.458 44.550 45.100 -0.154 0.000 0.662 354 G HN 0.148 nan 8.290 nan 0.000 0.527 355 F N 1.792 121.708 119.950 -0.056 0.000 2.456 355 F HA 0.540 5.067 4.527 -0.001 0.000 0.358 355 F C 1.032 176.842 175.800 0.016 0.000 1.095 355 F CA 0.058 58.021 58.000 -0.062 0.000 1.216 355 F CB 0.871 39.741 39.000 -0.216 0.000 1.125 355 F HN 0.086 nan 8.300 nan 0.000 0.549 356 Q N 2.607 122.548 119.800 0.235 0.000 2.399 356 Q HA 0.380 4.720 4.340 -0.001 0.000 0.276 356 Q C -0.720 175.382 176.000 0.171 0.000 1.098 356 Q CA -1.311 54.595 55.803 0.171 0.000 0.827 356 Q CB 2.444 31.263 28.738 0.136 0.000 1.386 356 Q HN 0.530 nan 8.270 nan 0.000 0.443 357 K N 1.198 121.660 120.400 0.104 0.000 2.414 357 K HA 0.168 4.487 4.320 -0.001 0.000 0.272 357 K C 0.225 176.844 176.600 0.032 0.000 0.993 357 K CA -0.063 56.259 56.287 0.058 0.000 0.964 357 K CB 0.370 32.876 32.500 0.011 0.000 0.925 357 K HN 0.397 nan 8.250 nan 0.000 0.487 358 L N 4.125 125.331 121.223 -0.029 0.000 2.482 358 L HA 0.042 4.382 4.340 -0.001 0.000 0.273 358 L C -1.392 175.411 176.870 -0.111 0.000 1.228 358 L CA -1.247 53.510 54.840 -0.138 0.000 0.827 358 L CB -0.247 41.661 42.059 -0.251 0.000 1.099 358 L HN 0.553 nan 8.230 nan 0.000 0.494 359 P HA 0.002 nan 4.420 nan 0.000 0.275 359 P C -0.910 176.336 177.300 -0.090 0.000 1.266 359 P CA -0.530 62.532 63.100 -0.063 0.000 0.793 359 P CB 0.387 32.089 31.700 0.004 0.000 1.074 360 D N 0.611 120.987 120.400 -0.040 0.000 2.356 360 D HA 0.014 4.654 4.640 -0.001 0.000 0.272 360 D C 0.506 176.782 176.300 -0.040 0.000 1.337 360 D CA 0.360 54.339 54.000 -0.035 0.000 0.970 360 D CB -0.306 40.488 40.800 -0.009 0.000 1.092 360 D HN 0.229 nan 8.370 nan 0.000 0.516 361 L N 2.587 123.770 121.223 -0.068 0.000 2.769 361 L HA 0.291 4.630 4.340 -0.001 0.000 0.240 361 L C 1.042 177.902 176.870 -0.016 0.000 1.163 361 L CA -0.474 54.331 54.840 -0.059 0.000 0.962 361 L CB 0.171 42.150 42.059 -0.134 0.000 1.258 361 L HN 0.285 nan 8.230 nan 0.000 0.513 362 A N 0.708 123.522 122.820 -0.009 0.000 2.511 362 A HA 0.363 4.682 4.320 -0.001 0.000 0.242 362 A C 0.205 177.796 177.584 0.011 0.000 1.069 362 A CA -0.056 51.983 52.037 0.003 0.000 0.763 362 A CB 0.250 19.252 19.000 0.004 0.000 1.001 362 A HN 0.016 nan 8.150 nan 0.000 0.498 363 V N 2.827 122.748 119.914 0.013 0.000 2.607 363 V HA 0.200 4.320 4.120 -0.001 0.000 0.289 363 V C 0.710 176.811 176.094 0.011 0.000 1.053 363 V CA -0.234 62.074 62.300 0.014 0.000 0.996 363 V CB 1.346 33.176 31.823 0.012 0.000 0.995 363 V HN 0.937 nan 8.190 nan 0.000 0.476 364 Q N 3.163 122.970 119.800 0.012 0.000 2.569 364 Q HA 0.417 4.756 4.340 -0.001 0.000 0.226 364 Q C 0.918 176.923 176.000 0.008 0.000 1.136 364 Q CA -0.167 55.642 55.803 0.010 0.000 0.947 364 Q CB 0.946 29.690 28.738 0.010 0.000 1.218 364 Q HN 0.949 nan 8.270 nan 0.000 0.547 365 A N 3.265 126.088 122.820 0.006 0.000 2.070 365 A HA -0.128 4.192 4.320 -0.001 0.000 0.220 365 A C 0.702 178.288 177.584 0.003 0.000 1.159 365 A CA 0.663 52.702 52.037 0.004 0.000 0.656 365 A CB 0.042 19.043 19.000 0.002 0.000 0.800 365 A HN 0.717 nan 8.150 nan 0.000 0.453 366 Q N 1.556 121.358 119.800 0.004 0.000 2.301 366 Q HA 0.158 4.497 4.340 -0.001 0.000 0.262 366 Q C -0.399 175.604 176.000 0.005 0.000 1.168 366 Q CA 0.298 56.104 55.803 0.004 0.000 0.908 366 Q CB 0.137 28.877 28.738 0.004 0.000 1.348 366 Q HN 0.497 nan 8.270 nan 0.000 0.441 367 Q N 2.809 122.611 119.800 0.004 0.000 2.263 367 Q HA -0.041 4.299 4.340 -0.001 0.000 0.270 367 Q C 0.237 176.240 176.000 0.006 0.000 1.104 367 Q CA 0.523 56.329 55.803 0.005 0.000 0.909 367 Q CB 0.771 29.511 28.738 0.003 0.000 1.214 367 Q HN 0.545 nan 8.270 nan 0.000 0.400 368 K N 1.776 122.181 120.400 0.008 0.000 2.639 368 K HA 0.277 4.597 4.320 -0.001 0.000 0.242 368 K C -0.419 176.187 176.600 0.010 0.000 1.386 368 K CA 0.398 56.690 56.287 0.008 0.000 0.780 368 K CB 0.617 33.123 32.500 0.009 0.000 1.790 368 K HN 0.390 nan 8.250 nan 0.000 0.369 369 A N 3.499 126.326 122.820 0.013 0.000 3.047 369 A HA 0.335 4.654 4.320 -0.001 0.000 0.337 369 A C -2.113 175.481 177.584 0.017 0.000 1.143 369 A CA -1.416 50.630 52.037 0.016 0.000 0.905 369 A CB 0.659 19.670 19.000 0.018 0.000 1.088 369 A HN 0.320 nan 8.150 nan 0.000 0.488 370 P HA -0.115 nan 4.420 nan 0.000 0.212 370 P C 0.680 177.992 177.300 0.020 0.000 1.180 370 P CA 0.977 64.086 63.100 0.014 0.000 0.906 370 P CB 0.157 31.862 31.700 0.010 0.000 0.782 371 L N -0.070 121.166 121.223 0.023 0.000 2.688 371 L HA 0.122 4.462 4.340 -0.001 0.000 0.234 371 L C 1.699 178.597 176.870 0.046 0.000 1.192 371 L CA 0.723 55.583 54.840 0.033 0.000 0.984 371 L CB -1.721 40.356 42.059 0.029 0.000 1.232 371 L HN -0.086 nan 8.230 nan 0.000 0.465 372 D N 0.371 120.796 120.400 0.041 0.000 2.149 372 D HA -0.205 4.435 4.640 -0.001 0.000 0.198 372 D C 2.231 178.569 176.300 0.064 0.000 0.990 372 D CA 1.412 55.440 54.000 0.047 0.000 0.839 372 D CB 0.461 41.283 40.800 0.037 0.000 0.948 372 D HN 0.338 nan 8.370 nan 0.000 0.460 373 A N 0.043 122.899 122.820 0.061 0.000 1.897 373 A HA -0.028 4.292 4.320 -0.001 0.000 0.215 373 A C 2.264 179.913 177.584 0.108 0.000 1.181 373 A CA 0.584 52.664 52.037 0.072 0.000 0.620 373 A CB -0.770 18.255 19.000 0.043 0.000 0.821 373 A HN 0.378 nan 8.150 nan 0.000 0.443 374 L N -0.669 120.615 121.223 0.101 0.000 2.083 374 L HA -0.174 4.165 4.340 -0.001 0.000 0.209 374 L C 2.762 179.755 176.870 0.206 0.000 1.083 374 L CA 1.843 56.776 54.840 0.155 0.000 0.752 374 L CB -0.374 41.768 42.059 0.137 0.000 0.899 374 L HN 0.553 nan 8.230 nan 0.000 0.433 375 R N 0.259 120.844 120.500 0.142 0.000 2.070 375 R HA -0.194 4.145 4.340 -0.001 0.000 0.232 375 R C 2.284 178.662 176.300 0.129 0.000 1.138 375 R CA 1.574 57.746 56.100 0.121 0.000 0.936 375 R CB -0.108 30.239 30.300 0.079 0.000 0.839 375 R HN 0.239 nan 8.270 nan 0.000 0.429 376 K N -0.369 120.106 120.400 0.125 0.000 2.152 376 K HA -0.186 4.133 4.320 -0.001 0.000 0.206 376 K C 1.951 178.640 176.600 0.149 0.000 1.048 376 K CA 1.473 57.828 56.287 0.114 0.000 0.933 376 K CB -0.261 32.302 32.500 0.104 0.000 0.721 376 K HN 0.199 nan 8.250 nan 0.000 0.447 377 F N 1.713 121.703 119.950 0.066 0.000 2.113 377 F HA -0.115 4.412 4.527 -0.001 0.000 0.297 377 F C 1.792 177.659 175.800 0.111 0.000 1.103 377 F CA 1.168 59.214 58.000 0.076 0.000 1.248 377 F CB -0.208 38.812 39.000 0.032 0.000 0.999 377 F HN -0.144 nan 8.300 nan 0.000 0.475 378 L N 0.064 121.363 121.223 0.127 0.000 2.131 378 L HA -0.182 4.157 4.340 -0.001 0.000 0.210 378 L C 2.206 179.075 176.870 -0.001 0.000 1.092 378 L CA 1.508 56.381 54.840 0.056 0.000 0.759 378 L CB -0.659 41.514 42.059 0.189 0.000 0.903 378 L HN 0.223 nan 8.230 nan 0.000 0.435 379 E N -0.938 119.269 120.200 0.012 0.000 2.158 379 E HA -0.104 4.246 4.350 -0.001 0.000 0.191 379 E C 1.950 178.532 176.600 -0.031 0.000 0.982 379 E CA 1.291 57.693 56.400 0.003 0.000 0.823 379 E CB 0.127 29.839 29.700 0.021 0.000 0.766 379 E HN 0.383 nan 8.360 nan 0.000 0.468 380 T N 0.322 114.841 114.554 -0.057 0.000 3.031 380 T HA 0.017 4.366 4.350 -0.001 0.000 0.254 380 T C 0.119 174.747 174.700 -0.120 0.000 1.060 380 T CA 0.080 62.140 62.100 -0.067 0.000 1.135 380 T CB -0.005 68.848 68.868 -0.026 0.000 0.896 380 T HN -0.006 nan 8.240 nan 0.000 0.472 381 F N 3.227 122.945 119.950 -0.386 0.000 2.421 381 F HA 0.243 4.769 4.527 -0.001 0.000 0.358 381 F C 0.032 175.698 175.800 -0.225 0.000 1.115 381 F CA -1.042 56.710 58.000 -0.414 0.000 1.160 381 F CB 0.614 39.100 39.000 -0.857 0.000 1.123 381 F HN -0.061 nan 8.300 nan 0.000 0.508 382 D N 4.775 124.836 120.400 -0.565 0.000 2.738 382 D HA 0.216 4.856 4.640 -0.001 0.000 0.246 382 D C 0.532 176.627 176.300 -0.342 0.000 1.270 382 D CA 0.160 53.966 54.000 -0.324 0.000 0.833 382 D CB 0.532 41.189 40.800 -0.239 0.000 1.040 382 D HN 0.635 nan 8.370 nan 0.000 0.487 383 G N 0.482 109.033 108.800 -0.415 0.000 2.816 383 G HA2 0.552 4.511 3.960 -0.001 0.000 0.288 383 G HA3 0.552 4.511 3.960 -0.001 0.000 0.288 383 G C -2.944 172.116 174.900 0.267 0.000 1.334 383 G CA -1.555 43.506 45.100 -0.065 0.000 0.978 383 G HN -0.200 nan 8.290 nan 0.000 0.493 384 P HA 0.314 nan 4.420 nan 0.000 0.268 384 P C -0.587 176.914 177.300 0.335 0.000 1.205 384 P CA -0.227 63.080 63.100 0.345 0.000 0.771 384 P CB 1.277 33.148 31.700 0.284 0.000 0.858 385 V N 4.373 124.446 119.914 0.265 0.000 2.487 385 V HA 0.295 4.415 4.120 -0.001 0.000 0.298 385 V C -0.077 176.044 176.094 0.046 0.000 1.028 385 V CA -0.614 61.715 62.300 0.048 0.000 0.860 385 V CB 2.169 33.960 31.823 -0.052 0.000 0.991 385 V HN 0.197 nan 8.190 nan 0.000 0.427 386 V N 5.458 125.327 119.914 -0.075 0.000 2.350 386 V HA 0.459 4.579 4.120 -0.001 0.000 0.285 386 V C -0.378 175.632 176.094 -0.140 0.000 1.014 386 V CA -0.534 61.782 62.300 0.026 0.000 0.831 386 V CB 1.077 32.937 31.823 0.062 0.000 1.000 386 V HN 0.648 nan 8.190 nan 0.000 0.433 387 F N 2.486 122.477 119.950 0.068 0.000 2.443 387 F HA 0.420 4.946 4.527 -0.001 0.000 0.353 387 F C 0.994 176.803 175.800 0.015 0.000 1.101 387 F CA 0.562 58.574 58.000 0.020 0.000 1.226 387 F CB 1.250 40.263 39.000 0.022 0.000 1.140 387 F HN 0.450 nan 8.300 nan 0.000 0.557 388 S N 2.593 118.380 115.700 0.144 0.000 2.482 388 S HA 0.770 5.240 4.470 -0.001 0.000 0.303 388 S C -1.277 173.357 174.600 0.058 0.000 1.091 388 S CA -0.613 57.631 58.200 0.073 0.000 1.057 388 S CB 1.348 64.564 63.200 0.027 0.000 1.031 388 S HN 0.499 nan 8.310 nan 0.000 0.485 389 V N 4.937 124.867 119.914 0.027 0.000 2.851 389 V HA 0.412 4.532 4.120 -0.001 0.000 0.307 389 V C 0.635 176.719 176.094 -0.017 0.000 1.129 389 V CA -0.702 61.603 62.300 0.009 0.000 0.932 389 V CB 2.124 33.958 31.823 0.018 0.000 1.024 389 V HN 1.073 nan 8.190 nan 0.000 0.426 390 E N 3.306 123.491 120.200 -0.025 0.000 2.274 390 E HA 0.030 4.379 4.350 -0.001 0.000 0.194 390 E C 0.446 177.026 176.600 -0.033 0.000 0.996 390 E CA 0.855 57.234 56.400 -0.035 0.000 0.840 390 E CB 0.117 29.796 29.700 -0.035 0.000 0.772 390 E HN 0.645 nan 8.360 nan 0.000 0.491 391 S N -0.416 115.269 115.700 -0.024 0.000 2.634 391 S HA 0.233 4.702 4.470 -0.001 0.000 0.296 391 S C 0.412 175.001 174.600 -0.017 0.000 1.104 391 S CA -0.789 57.398 58.200 -0.022 0.000 0.920 391 S CB 1.874 65.064 63.200 -0.018 0.000 1.111 391 S HN 0.172 nan 8.310 nan 0.000 0.493 392 E N 0.883 121.074 120.200 -0.016 0.000 2.208 392 E HA 0.018 4.368 4.350 -0.001 0.000 0.193 392 E C 1.675 178.269 176.600 -0.010 0.000 0.988 392 E CA 1.116 57.510 56.400 -0.011 0.000 0.828 392 E CB -0.721 28.973 29.700 -0.010 0.000 0.763 392 E HN 0.832 nan 8.360 nan 0.000 0.478 393 G N 1.357 110.150 108.800 -0.011 0.000 2.456 393 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.213 393 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.213 393 G C 1.542 176.433 174.900 -0.014 0.000 1.215 393 G CA 0.559 45.652 45.100 -0.012 0.000 0.805 393 G HN 0.263 nan 8.290 nan 0.000 0.537 394 R N 1.177 121.668 120.500 -0.016 0.000 2.346 394 R HA 0.128 4.468 4.340 -0.001 0.000 0.199 394 R C 1.981 178.268 176.300 -0.021 0.000 1.015 394 R CA 0.431 56.519 56.100 -0.019 0.000 1.058 394 R CB -0.342 29.947 30.300 -0.018 0.000 0.921 394 R HN 0.382 nan 8.270 nan 0.000 0.475 395 R N 0.644 121.134 120.500 -0.016 0.000 2.377 395 R HA -0.116 4.223 4.340 -0.001 0.000 0.207 395 R C 0.174 176.458 176.300 -0.028 0.000 1.075 395 R CA 1.498 57.590 56.100 -0.015 0.000 1.035 395 R CB 0.214 30.512 30.300 -0.004 0.000 0.857 395 R HN 0.359 nan 8.270 nan 0.000 0.475 396 E N -1.312 118.870 120.200 -0.030 0.000 2.500 396 E HA 0.214 4.564 4.350 -0.001 0.000 0.217 396 E C 1.364 177.940 176.600 -0.041 0.000 0.848 396 E CA 0.487 56.866 56.400 -0.036 0.000 1.217 396 E CB 0.585 30.270 29.700 -0.026 0.000 1.217 396 E HN 0.339 nan 8.360 nan 0.000 0.573 397 A N 1.242 124.040 122.820 -0.036 0.000 1.978 397 A HA -0.152 4.167 4.320 -0.001 0.000 0.220 397 A C 1.967 179.518 177.584 -0.054 0.000 1.170 397 A CA 1.086 53.100 52.037 -0.038 0.000 0.636 397 A CB -0.321 18.661 19.000 -0.029 0.000 0.810 397 A HN 0.285 nan 8.150 nan 0.000 0.448 398 L N -1.366 119.816 121.223 -0.068 0.000 2.189 398 L HA 0.073 4.413 4.340 -0.001 0.000 0.199 398 L C 2.507 179.290 176.870 -0.145 0.000 1.074 398 L CA 1.571 56.343 54.840 -0.115 0.000 0.783 398 L CB -1.074 40.914 42.059 -0.118 0.000 0.955 398 L HN 0.421 nan 8.230 nan 0.000 0.460 399 G N 0.241 108.974 108.800 -0.112 0.000 2.422 399 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.218 399 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.218 399 G C 1.350 176.199 174.900 -0.085 0.000 1.146 399 G CA 0.842 45.879 45.100 -0.105 0.000 0.769 399 G HN 0.662 nan 8.290 nan 0.000 0.547 400 E N 0.007 120.167 120.200 -0.066 0.000 2.150 400 E HA -0.078 4.272 4.350 -0.001 0.000 0.193 400 E C 2.308 178.871 176.600 -0.061 0.000 0.985 400 E CA 0.776 57.145 56.400 -0.053 0.000 0.814 400 E CB -0.342 29.335 29.700 -0.039 0.000 0.752 400 E HN 0.341 nan 8.360 nan 0.000 0.466 401 L N 0.470 121.647 121.223 -0.075 0.000 2.217 401 L HA -0.017 4.322 4.340 -0.001 0.000 0.211 401 L C 1.953 178.763 176.870 -0.099 0.000 1.107 401 L CA 1.017 55.810 54.840 -0.078 0.000 0.783 401 L CB -0.109 41.902 42.059 -0.080 0.000 0.919 401 L HN 0.177 nan 8.230 nan 0.000 0.442 402 L N -0.618 120.521 121.223 -0.139 0.000 2.375 402 L HA 0.202 4.541 4.340 -0.001 0.000 0.215 402 L C 2.480 179.293 176.870 -0.095 0.000 1.108 402 L CA 1.298 56.041 54.840 -0.162 0.000 0.830 402 L CB -1.241 40.647 42.059 -0.285 0.000 0.959 402 L HN 0.287 nan 8.230 nan 0.000 0.457 403 A N -0.014 122.762 122.820 -0.074 0.000 2.121 403 A HA -0.206 4.114 4.320 -0.001 0.000 0.218 403 A C 2.351 179.914 177.584 -0.035 0.000 1.154 403 A CA 1.393 53.402 52.037 -0.047 0.000 0.679 403 A CB -0.522 18.454 19.000 -0.040 0.000 0.795 403 A HN 0.478 nan 8.150 nan 0.000 0.458 404 R N 0.856 121.333 120.500 -0.038 0.000 2.148 404 R HA 0.013 4.353 4.340 -0.001 0.000 0.223 404 R C 1.025 177.314 176.300 -0.017 0.000 1.088 404 R CA 1.832 57.916 56.100 -0.026 0.000 0.985 404 R CB -0.630 29.654 30.300 -0.027 0.000 0.880 404 R HN 0.592 nan 8.270 nan 0.000 0.451 405 I N -2.269 118.290 120.570 -0.019 0.000 3.399 405 I HA 0.406 4.575 4.170 -0.001 0.000 0.345 405 I C -0.591 175.526 176.117 -0.000 0.000 1.512 405 I CA -0.779 60.519 61.300 -0.003 0.000 1.047 405 I CB 0.406 38.411 38.000 0.009 0.000 1.552 405 I HN 0.075 nan 8.210 nan 0.000 0.494 406 K N 0.931 121.327 120.400 -0.008 0.000 3.349 406 K HA -0.134 4.186 4.320 -0.001 0.000 0.310 406 K C -0.021 176.575 176.600 -0.008 0.000 1.267 406 K CA 0.721 57.004 56.287 -0.007 0.000 0.920 406 K CB -0.802 31.698 32.500 -0.000 0.000 1.240 406 K HN 0.478 nan 8.250 nan 0.000 0.453 407 I N 0.961 121.522 120.570 -0.013 0.000 2.304 407 I HA 0.232 4.402 4.170 -0.001 0.000 0.291 407 I C 0.636 176.729 176.117 -0.039 0.000 1.018 407 I CA -0.103 61.188 61.300 -0.014 0.000 1.260 407 I CB 1.073 39.072 38.000 -0.002 0.000 1.390 407 I HN 0.058 nan 8.210 nan 0.000 0.475 408 A N 8.991 131.789 122.820 -0.036 0.000 2.786 408 A HA 0.638 4.958 4.320 -0.001 0.000 0.346 408 A C -2.348 175.209 177.584 -0.045 0.000 1.265 408 A CA -1.328 50.684 52.037 -0.041 0.000 0.858 408 A CB -0.193 18.787 19.000 -0.033 0.000 1.118 408 A HN 0.440 nan 8.150 nan 0.000 0.482 409 P HA 0.021 nan 4.420 nan 0.000 0.258 409 P C -0.067 177.225 177.300 -0.013 0.000 1.187 409 P CA 0.451 63.544 63.100 -0.012 0.000 0.767 409 P CB 0.444 32.173 31.700 0.048 0.000 0.770 410 Q N 3.318 123.078 119.800 -0.067 0.000 2.454 410 Q HA 0.151 4.491 4.340 -0.001 0.000 0.247 410 Q C 0.707 176.794 176.000 0.146 0.000 1.028 410 Q CA 0.250 56.064 55.803 0.018 0.000 0.910 410 Q CB 0.729 29.466 28.738 -0.002 0.000 1.276 410 Q HN 0.504 nan 8.270 nan 0.000 0.489 411 R N 1.344 121.935 120.500 0.152 0.000 2.599 411 R HA 0.612 4.952 4.340 -0.001 0.000 0.295 411 R C -0.647 175.743 176.300 0.149 0.000 0.963 411 R CA -0.585 55.608 56.100 0.156 0.000 0.883 411 R CB 1.177 31.531 30.300 0.091 0.000 1.171 411 R HN 0.621 nan 8.270 nan 0.000 0.450 412 I N 0.970 121.622 120.570 0.138 0.000 3.174 412 I HA 0.475 4.644 4.170 -0.001 0.000 0.313 412 I C -0.580 175.567 176.117 0.050 0.000 1.155 412 I CA -1.781 59.568 61.300 0.081 0.000 0.977 412 I CB 1.914 39.941 38.000 0.044 0.000 1.248 412 I HN 0.739 nan 8.210 nan 0.000 0.453 413 M N 2.326 121.944 119.600 0.031 0.000 2.596 413 M HA 0.516 4.995 4.480 -0.001 0.000 0.364 413 M C -0.071 176.244 176.300 0.026 0.000 1.158 413 M CA 0.201 55.509 55.300 0.014 0.000 0.940 413 M CB 0.171 32.773 32.600 0.002 0.000 1.388 413 M HN 0.382 nan 8.290 nan 0.000 0.522 414 R N 0.333 120.856 120.500 0.038 0.000 2.535 414 R HA 0.360 4.700 4.340 -0.001 0.000 0.274 414 R C -0.105 176.224 176.300 0.048 0.000 1.090 414 R CA -0.503 55.633 56.100 0.060 0.000 0.930 414 R CB 1.987 32.312 30.300 0.042 0.000 1.223 414 R HN 0.138 nan 8.270 nan 0.000 0.441 415 L N 2.258 123.546 121.223 0.108 0.000 2.131 415 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 415 L C 1.658 178.533 176.870 0.008 0.000 1.092 415 L CA 2.085 56.973 54.840 0.080 0.000 0.759 415 L CB -0.403 41.745 42.059 0.150 0.000 0.903 415 L HN 0.668 nan 8.230 nan 0.000 0.435 416 D N -1.710 118.705 120.400 0.026 0.000 2.371 416 D HA -0.163 4.477 4.640 -0.001 0.000 0.221 416 D C 1.464 177.747 176.300 -0.027 0.000 0.986 416 D CA 0.612 54.617 54.000 0.008 0.000 0.899 416 D CB -0.360 40.459 40.800 0.032 0.000 0.902 416 D HN 0.418 nan 8.370 nan 0.000 0.530 417 E N -0.043 120.122 120.200 -0.059 0.000 2.435 417 E HA 0.140 4.490 4.350 -0.001 0.000 0.195 417 E C 0.420 176.899 176.600 -0.201 0.000 1.029 417 E CA 0.266 56.617 56.400 -0.082 0.000 0.865 417 E CB 0.202 29.868 29.700 -0.056 0.000 0.833 417 E HN 0.333 nan 8.360 nan 0.000 0.510 418 A N 1.984 124.600 122.820 -0.341 0.000 2.805 418 A HA 0.211 4.530 4.320 -0.001 0.000 0.301 418 A C -0.035 177.460 177.584 -0.149 0.000 1.557 418 A CA -0.313 51.346 52.037 -0.630 0.000 1.254 418 A CB -0.124 18.482 19.000 -0.657 0.000 1.114 418 A HN -0.025 nan 8.150 nan 0.000 0.553 419 S N 2.384 118.099 115.700 0.025 0.000 2.616 419 S HA 0.541 5.011 4.470 -0.001 0.000 0.277 419 S C 0.256 174.954 174.600 0.163 0.000 1.234 419 S CA -0.576 57.679 58.200 0.092 0.000 1.028 419 S CB 0.828 64.079 63.200 0.085 0.000 0.988 419 S HN 0.760 nan 8.310 nan 0.000 0.522 420 D N 1.080 121.540 120.400 0.101 0.000 4.089 420 D HA -0.217 4.422 4.640 -0.001 0.000 0.141 420 D C 0.442 176.803 176.300 0.102 0.000 0.858 420 D CA 0.837 54.887 54.000 0.083 0.000 1.094 420 D CB -0.397 40.448 40.800 0.075 0.000 0.550 420 D HN 0.639 nan 8.370 nan 0.000 0.562 421 R N 1.537 122.094 120.500 0.096 0.000 2.652 421 R HA 0.371 4.711 4.340 -0.001 0.000 0.372 421 R C 0.537 176.896 176.300 0.097 0.000 1.104 421 R CA 0.387 56.541 56.100 0.089 0.000 1.072 421 R CB 0.203 30.520 30.300 0.030 0.000 1.367 421 R HN 0.316 nan 8.270 nan 0.000 0.577 422 G N 0.860 109.746 108.800 0.143 0.000 2.614 422 G HA2 0.102 4.061 3.960 -0.001 0.000 0.239 422 G HA3 0.102 4.061 3.960 -0.001 0.000 0.239 422 G C -0.454 174.336 174.900 -0.184 0.000 1.240 422 G CA -0.336 44.689 45.100 -0.125 0.000 0.842 422 G HN 0.151 nan 8.290 nan 0.000 0.584 423 R N -0.390 119.884 120.500 -0.376 0.000 2.532 423 R HA 0.623 4.963 4.340 -0.001 0.000 0.295 423 R C -1.126 174.945 176.300 -0.382 0.000 0.968 423 R CA -0.337 55.681 56.100 -0.136 0.000 0.916 423 R CB 1.256 31.599 30.300 0.071 0.000 1.124 423 R HN 0.606 nan 8.270 nan 0.000 0.463 424 Y N 0.805 121.222 120.300 0.195 0.000 2.677 424 Y HA 0.562 5.111 4.550 -0.001 0.000 0.334 424 Y C -0.932 175.092 175.900 0.207 0.000 1.154 424 Y CA -1.170 57.025 58.100 0.158 0.000 1.070 424 Y CB 1.680 40.206 38.460 0.110 0.000 1.294 424 Y HN 0.119 nan 8.280 nan 0.000 0.475 425 L N 2.634 124.052 121.223 0.325 0.000 2.438 425 L HA 0.584 4.924 4.340 -0.001 0.000 0.270 425 L C -1.604 175.361 176.870 0.158 0.000 0.972 425 L CA -0.522 54.451 54.840 0.221 0.000 0.831 425 L CB 1.800 43.942 42.059 0.139 0.000 1.273 425 L HN 0.788 nan 8.230 nan 0.000 0.405 426 M N 4.769 124.442 119.600 0.122 0.000 2.464 426 M HA 0.530 5.009 4.480 -0.001 0.000 0.308 426 M C -1.151 175.159 176.300 0.017 0.000 1.127 426 M CA -0.625 54.711 55.300 0.058 0.000 0.913 426 M CB 2.842 35.474 32.600 0.053 0.000 1.689 426 M HN 0.398 nan 8.290 nan 0.000 0.445 427 I N 2.266 122.824 120.570 -0.020 0.000 2.354 427 I HA 0.840 5.010 4.170 -0.001 0.000 0.292 427 I C 0.389 176.449 176.117 -0.096 0.000 0.989 427 I CA -0.127 61.148 61.300 -0.042 0.000 1.188 427 I CB 1.648 39.630 38.000 -0.031 0.000 1.342 427 I HN 0.812 nan 8.210 nan 0.000 0.457 428 G N 3.429 112.166 108.800 -0.105 0.000 2.320 428 G HA2 0.448 4.408 3.960 -0.001 0.000 0.296 428 G HA3 0.448 4.408 3.960 -0.001 0.000 0.296 428 G C -0.482 174.346 174.900 -0.119 0.000 1.306 428 G CA -0.069 44.939 45.100 -0.152 0.000 0.836 428 G HN 0.577 nan 8.290 nan 0.000 0.517 429 A N -0.642 122.101 122.820 -0.128 0.000 2.275 429 A HA 0.692 5.011 4.320 -0.001 0.000 0.212 429 A C 1.530 179.082 177.584 -0.052 0.000 1.201 429 A CA 1.426 53.415 52.037 -0.080 0.000 0.843 429 A CB -0.685 18.271 19.000 -0.072 0.000 0.873 429 A HN 2.301 nan 8.150 nan 0.000 0.492 430 A N 0.364 123.159 122.820 -0.041 0.000 2.573 430 A HA 0.145 4.465 4.320 -0.001 0.000 0.250 430 A C 0.886 178.463 177.584 -0.012 0.000 1.049 430 A CA 0.668 52.730 52.037 0.042 0.000 0.767 430 A CB -0.057 19.025 19.000 0.136 0.000 0.965 430 A HN 0.613 nan 8.150 nan 0.000 0.514 431 E N 0.800 120.984 120.200 -0.026 0.000 2.057 431 E HA 0.019 4.369 4.350 -0.001 0.000 0.190 431 E C 0.107 176.532 176.600 -0.292 0.000 0.969 431 E CA 0.748 57.053 56.400 -0.158 0.000 0.812 431 E CB 0.124 29.740 29.700 -0.140 0.000 0.777 431 E HN 0.835 nan 8.360 nan 0.000 0.455 432 H N -1.353 117.728 119.070 0.018 0.000 2.768 432 H HA 0.422 4.977 4.556 -0.001 0.000 0.371 432 H C -0.016 175.304 175.328 -0.013 0.000 1.151 432 H CA -0.357 55.690 56.048 -0.002 0.000 1.165 432 H CB 1.662 31.428 29.762 0.008 0.000 1.722 432 H HN 0.216 nan 8.280 nan 0.000 0.543 433 G N 0.633 109.477 108.800 0.073 0.000 2.531 433 G HA2 0.540 4.500 3.960 -0.001 0.000 0.281 433 G HA3 0.540 4.500 3.960 -0.001 0.000 0.281 433 G C -1.056 173.814 174.900 -0.050 0.000 1.382 433 G CA -0.338 44.662 45.100 -0.167 0.000 1.045 433 G HN 0.464 nan 8.290 nan 0.000 0.533 434 F N -3.776 116.168 119.950 -0.010 0.000 2.858 434 F HA 0.622 5.149 4.527 -0.001 0.000 0.319 434 F C -1.328 174.494 175.800 0.037 0.000 1.166 434 F CA -1.648 56.374 58.000 0.037 0.000 0.899 434 F CB 1.232 40.301 39.000 0.116 0.000 1.332 434 F HN 0.401 nan 8.300 nan 0.000 0.461 435 V N 1.542 121.737 119.914 0.468 0.000 2.376 435 V HA 0.290 4.409 4.120 -0.001 0.000 0.287 435 V C -1.016 175.322 176.094 0.406 0.000 1.015 435 V CA -0.495 62.028 62.300 0.373 0.000 0.834 435 V CB 1.118 33.094 31.823 0.254 0.000 1.001 435 V HN 0.773 nan 8.190 nan 0.000 0.428 436 D N 3.902 124.544 120.400 0.403 0.000 2.383 436 D HA 0.035 4.675 4.640 -0.001 0.000 0.245 436 D C 1.529 177.828 176.300 -0.001 0.000 1.263 436 D CA 0.318 54.276 54.000 -0.072 0.000 0.936 436 D CB 1.498 42.270 40.800 -0.047 0.000 1.053 436 D HN 0.734 nan 8.370 nan 0.000 0.507 437 T N -0.066 114.461 114.554 -0.045 0.000 3.035 437 T HA -0.066 4.283 4.350 -0.001 0.000 0.268 437 T C 1.851 176.525 174.700 -0.043 0.000 1.109 437 T CA 0.417 62.526 62.100 0.015 0.000 1.119 437 T CB 0.091 68.975 68.868 0.027 0.000 0.900 437 T HN 0.164 nan 8.240 nan 0.000 0.503 438 V N 1.611 121.452 119.914 -0.122 0.000 2.302 438 V HA 0.045 4.165 4.120 -0.001 0.000 0.243 438 V C 2.834 178.884 176.094 -0.074 0.000 1.036 438 V CA 1.389 63.626 62.300 -0.104 0.000 1.020 438 V CB -0.406 31.330 31.823 -0.145 0.000 0.657 438 V HN 0.419 nan 8.190 nan 0.000 0.453 439 R N 0.072 120.526 120.500 -0.076 0.000 2.276 439 R HA 0.087 4.427 4.340 -0.001 0.000 0.196 439 R C 0.798 177.112 176.300 0.024 0.000 0.961 439 R CA 0.528 56.613 56.100 -0.025 0.000 1.024 439 R CB -0.222 30.073 30.300 -0.009 0.000 0.940 439 R HN 0.544 nan 8.270 nan 0.000 0.480 440 N N 0.755 119.486 118.700 0.051 0.000 2.756 440 N HA -0.179 4.560 4.740 -0.001 0.000 0.248 440 N C -1.305 174.370 175.510 0.275 0.000 1.062 440 N CA 0.452 53.556 53.050 0.091 0.000 0.696 440 N CB -0.987 37.463 38.487 -0.063 0.000 0.946 440 N HN 0.313 nan 8.380 nan 0.000 0.548 441 L N -0.410 121.041 121.223 0.380 0.000 2.381 441 L HA 0.889 5.229 4.340 -0.001 0.000 0.268 441 L C -0.621 176.446 176.870 0.328 0.000 0.997 441 L CA -0.513 54.561 54.840 0.391 0.000 0.818 441 L CB 1.793 44.003 42.059 0.252 0.000 1.310 441 L HN 0.193 nan 8.230 nan 0.000 0.416 442 A N 4.296 127.156 122.820 0.066 0.000 2.342 442 A HA 0.710 5.029 4.320 -0.001 0.000 0.323 442 A C -1.572 175.849 177.584 -0.272 0.000 1.125 442 A CA -0.513 51.405 52.037 -0.198 0.000 0.785 442 A CB 1.522 20.212 19.000 -0.517 0.000 1.221 442 A HN 0.630 nan 8.150 nan 0.000 0.463 443 L N 2.859 123.753 121.223 -0.549 0.000 2.307 443 L HA 0.712 5.051 4.340 -0.001 0.000 0.284 443 L C -0.978 175.581 176.870 -0.519 0.000 1.023 443 L CA -0.201 54.280 54.840 -0.599 0.000 0.810 443 L CB 1.033 42.502 42.059 -0.982 0.000 1.231 443 L HN 0.591 nan 8.230 nan 0.000 0.423 444 I N 4.773 125.099 120.570 -0.408 0.000 2.410 444 I HA 0.332 4.501 4.170 -0.001 0.000 0.286 444 I C -0.613 175.439 176.117 -0.107 0.000 1.009 444 I CA -0.450 60.665 61.300 -0.308 0.000 1.111 444 I CB 1.385 39.123 38.000 -0.436 0.000 1.262 444 I HN 0.571 nan 8.210 nan 0.000 0.443 445 C N 3.957 123.219 119.300 -0.065 0.000 2.362 445 C HA 0.190 4.650 4.460 -0.001 0.000 0.363 445 C C 1.975 176.976 174.990 0.018 0.000 1.220 445 C CA -0.485 58.526 59.018 -0.013 0.000 2.379 445 C CB 0.918 28.629 27.740 -0.049 0.000 2.351 445 C HN 0.812 nan 8.230 nan 0.000 0.582 446 E N 0.750 120.958 120.200 0.012 0.000 2.160 446 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 446 E C 1.910 178.508 176.600 -0.003 0.000 0.991 446 E CA 1.664 58.072 56.400 0.014 0.000 0.810 446 E CB -0.108 29.589 29.700 -0.006 0.000 0.742 446 E HN 0.712 nan 8.360 nan 0.000 0.466 447 S N 1.364 117.036 115.700 -0.046 0.000 2.447 447 S HA -0.117 4.352 4.470 -0.001 0.000 0.233 447 S C 1.267 175.910 174.600 0.072 0.000 1.006 447 S CA 0.870 59.039 58.200 -0.050 0.000 0.957 447 S CB -0.057 62.977 63.200 -0.277 0.000 0.773 447 S HN 0.253 nan 8.310 nan 0.000 0.507 448 D N 1.623 122.072 120.400 0.083 0.000 2.234 448 D HA 0.080 4.720 4.640 -0.001 0.000 0.205 448 D C 1.757 178.073 176.300 0.026 0.000 0.962 448 D CA 0.621 54.669 54.000 0.079 0.000 0.855 448 D CB -0.067 40.747 40.800 0.023 0.000 0.951 448 D HN 0.380 nan 8.370 nan 0.000 0.500 449 L N 0.409 121.650 121.223 0.030 0.000 2.179 449 L HA 0.048 4.387 4.340 -0.001 0.000 0.208 449 L C 1.489 178.372 176.870 0.022 0.000 1.096 449 L CA 0.484 55.341 54.840 0.028 0.000 0.779 449 L CB -0.168 41.917 42.059 0.044 0.000 0.922 449 L HN -0.081 nan 8.230 nan 0.000 0.443 450 L N 0.000 121.237 121.223 0.023 0.000 2.949 450 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 450 L CA 0.000 54.852 54.840 0.019 0.000 0.813 450 L CB 0.000 42.067 42.059 0.013 0.000 0.961 450 L HN 0.000 nan 8.230 nan 0.000 0.502