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 1y9d_1_C DATA FIRST_RESID 9 DATA SEQUENCE TNILAGAAVI KVLEAWGVDH LYGIPGGSIN SIMDALSAER DRIHYIQVRH DATA SEQUENCE EEVGAMAAAA DAKLTGKIGV CFGSAGPGGT HLMNGLYDAR EDHVPVLALI DATA SEQUENCE GQFGTTGXXX XXXXEMNENP IYADVADYNV TAVNAATLPH VIDEAIRRAY DATA SEQUENCE AHQGVAVVQI PVDLPWQQIP AEXXXXXXXX XXXXXLPEPD VQAVTRLTQT DATA SEQUENCE LLAAERPLIY YGIGARKAGK ELEQLSKTLK IPLMSTYPAK GIVADRYPAY DATA SEQUENCE LGSANRAAQK PANEALAQAD VVLFVGNNYX XXXXXXXXKN TRYFLQIDID DATA SEQUENCE PAKLGKRHKT DIAVLADAQK TLAAILAQVS ERESTPWWQA NLANVKNWRA DATA SEQUENCE YLASLEDKQE GPLQAYQVLR AVNKIAEPDA IYSIDVGDIN LNANRHLKLT DATA SEQUENCE PSNRHITSNL FATMGVGIPG AIAAKLNYPE RQVFNLAGDG GASMTMQDLA DATA SEQUENCE TQVQYHLPVI NVVFTNCQYG FIKDEQEDTN QNDFIGVEFN DIDFSKIADG DATA SEQUENCE VHMQAFRVNK IEQLPDVFEQ AKAIAQHEPV LIDAVITGDR PLPAEKLRLD DATA SEQUENCE SAMSSAADIE AFKQRYEAQD LQPLSTYLKQ FGLDD 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.705 174.700 0.008 0.000 1.109 9 T CA 0.000 62.104 62.100 0.006 0.000 1.349 9 T CB 0.000 68.871 68.868 0.005 0.000 0.612 10 N N 0.856 119.562 118.700 0.010 0.000 2.482 10 N HA 0.845 5.586 4.740 0.003 0.000 0.279 10 N C -1.087 174.433 175.510 0.015 0.000 1.182 10 N CA -0.672 52.386 53.050 0.013 0.000 0.969 10 N CB 1.661 40.157 38.487 0.015 0.000 1.201 10 N HN 0.697 nan 8.380 nan 0.000 0.523 11 I N 0.426 121.007 120.570 0.019 0.000 2.775 11 I HA 0.253 4.425 4.170 0.003 0.000 0.295 11 I C -1.134 174.998 176.117 0.026 0.000 1.287 11 I CA -0.689 60.623 61.300 0.020 0.000 1.029 11 I CB 1.445 39.454 38.000 0.014 0.000 1.282 11 I HN 0.270 nan 8.210 nan 0.000 0.426 12 L N 6.192 127.435 121.223 0.033 0.000 2.490 12 L HA 0.140 4.482 4.340 0.003 0.000 0.274 12 L C 1.575 178.455 176.870 0.016 0.000 1.201 12 L CA 0.364 55.231 54.840 0.044 0.000 0.869 12 L CB 1.144 43.245 42.059 0.069 0.000 1.123 12 L HN 0.866 nan 8.230 nan 0.000 0.484 13 A N 3.582 126.409 122.820 0.012 0.000 1.917 13 A HA -0.165 4.157 4.320 0.003 0.000 0.219 13 A C 2.165 179.724 177.584 -0.042 0.000 1.182 13 A CA 1.966 53.997 52.037 -0.009 0.000 0.633 13 A CB -1.136 17.860 19.000 -0.006 0.000 0.819 13 A HN 0.993 nan 8.150 nan 0.000 0.448 14 G N -0.615 108.137 108.800 -0.081 0.000 2.469 14 G HA2 -0.054 3.907 3.960 0.003 0.000 0.219 14 G HA3 -0.054 3.907 3.960 0.003 0.000 0.219 14 G C 1.730 176.575 174.900 -0.092 0.000 1.150 14 G CA 1.613 46.634 45.100 -0.132 0.000 0.763 14 G HN 0.870 nan 8.290 nan 0.000 0.561 15 A N 1.074 123.864 122.820 -0.051 0.000 1.898 15 A HA 0.322 4.643 4.320 0.003 0.000 0.216 15 A C 2.826 180.396 177.584 -0.023 0.000 1.181 15 A CA 2.124 54.142 52.037 -0.031 0.000 0.620 15 A CB -0.757 18.239 19.000 -0.007 0.000 0.819 15 A HN 0.803 nan 8.150 nan 0.000 0.442 16 A N -0.471 122.341 122.820 -0.014 0.000 1.908 16 A HA -0.032 4.289 4.320 0.003 0.000 0.218 16 A C 2.214 179.796 177.584 -0.002 0.000 1.181 16 A CA 1.799 53.835 52.037 -0.002 0.000 0.627 16 A CB -0.968 18.036 19.000 0.007 0.000 0.818 16 A HN 0.388 nan 8.150 nan 0.000 0.445 17 V N 0.654 120.554 119.914 -0.023 0.000 2.332 17 V HA -0.262 3.860 4.120 0.003 0.000 0.248 17 V C 2.396 178.473 176.094 -0.028 0.000 1.055 17 V CA 1.886 64.168 62.300 -0.031 0.000 1.038 17 V CB -0.630 31.150 31.823 -0.071 0.000 0.651 17 V HN 0.544 nan 8.190 nan 0.000 0.450 18 I N -0.525 120.020 120.570 -0.043 0.000 2.353 18 I HA -0.102 4.070 4.170 0.003 0.000 0.248 18 I C 2.416 178.526 176.117 -0.011 0.000 1.119 18 I CA 1.258 62.534 61.300 -0.039 0.000 1.417 18 I CB -1.281 36.684 38.000 -0.058 0.000 1.078 18 I HN 0.301 nan 8.210 nan 0.000 0.421 19 K N 1.014 121.412 120.400 -0.003 0.000 2.057 19 K HA -0.072 4.249 4.320 0.003 0.000 0.207 19 K C 2.305 178.928 176.600 0.038 0.000 1.049 19 K CA 0.867 57.160 56.287 0.009 0.000 0.931 19 K CB -0.902 31.601 32.500 0.006 0.000 0.714 19 K HN 0.199 nan 8.250 nan 0.000 0.440 20 V N 2.197 122.149 119.914 0.064 0.000 2.255 20 V HA -0.253 3.869 4.120 0.003 0.000 0.247 20 V C 2.525 178.759 176.094 0.234 0.000 1.051 20 V CA 1.617 64.009 62.300 0.154 0.000 1.018 20 V CB -0.560 31.352 31.823 0.149 0.000 0.641 20 V HN 0.201 nan 8.190 nan 0.000 0.445 21 L N -0.386 120.914 121.223 0.127 0.000 2.012 21 L HA -0.250 4.092 4.340 0.003 0.000 0.210 21 L C 2.631 179.574 176.870 0.121 0.000 1.073 21 L CA 1.992 56.898 54.840 0.110 0.000 0.748 21 L CB -0.730 41.342 42.059 0.021 0.000 0.891 21 L HN 0.418 nan 8.230 nan 0.000 0.431 22 E N 0.037 120.274 120.200 0.061 0.000 2.077 22 E HA -0.212 4.139 4.350 0.003 0.000 0.193 22 E C 2.264 178.885 176.600 0.035 0.000 0.989 22 E CA 1.155 57.573 56.400 0.030 0.000 0.800 22 E CB -0.179 29.520 29.700 -0.003 0.000 0.746 22 E HN 0.499 nan 8.360 nan 0.000 0.452 23 A N 0.237 123.075 122.820 0.029 0.000 2.019 23 A HA -0.155 4.167 4.320 0.003 0.000 0.219 23 A C 1.348 178.859 177.584 -0.122 0.000 1.164 23 A CA 0.873 52.870 52.037 -0.066 0.000 0.644 23 A CB -0.729 18.201 19.000 -0.115 0.000 0.805 23 A HN 0.374 nan 8.150 nan 0.000 0.449 24 W N -0.903 120.398 121.300 0.002 0.000 3.345 24 W HA 0.377 5.037 4.660 0.000 0.000 0.282 24 W C 1.518 178.054 176.519 0.028 0.000 1.302 24 W CA 0.725 58.087 57.345 0.028 0.000 1.724 24 W CB 0.131 29.623 29.460 0.052 0.000 1.104 24 W HN 0.541 nan 8.180 nan 0.000 0.694 25 G N 0.333 109.230 108.800 0.160 0.000 2.143 25 G HA2 -0.292 3.670 3.960 0.003 0.000 0.248 25 G HA3 -0.292 3.670 3.960 0.003 0.000 0.248 25 G C -0.054 174.892 174.900 0.077 0.000 0.991 25 G CA -0.018 45.141 45.100 0.098 0.000 0.689 25 G HN 0.016 nan 8.290 nan 0.000 0.522 26 V N 0.752 120.710 119.914 0.072 0.000 2.446 26 V HA 0.282 4.403 4.120 0.003 0.000 0.276 26 V C 1.428 177.490 176.094 -0.053 0.000 1.030 26 V CA 1.085 63.378 62.300 -0.011 0.000 1.033 26 V CB 1.379 33.191 31.823 -0.018 0.000 0.993 26 V HN 0.514 nan 8.190 nan 0.000 0.477 27 D N 3.146 123.492 120.400 -0.090 0.000 2.201 27 D HA -0.012 4.630 4.640 0.003 0.000 0.209 27 D C 0.698 177.026 176.300 0.047 0.000 0.961 27 D CA 0.734 54.743 54.000 0.015 0.000 0.861 27 D CB 0.348 41.236 40.800 0.146 0.000 0.997 27 D HN 0.794 nan 8.370 nan 0.000 0.486 28 H N -1.105 117.933 119.070 -0.054 0.000 2.980 28 H HA 0.513 5.071 4.556 0.003 0.000 0.367 28 H C -0.865 174.302 175.328 -0.268 0.000 1.206 28 H CA -1.188 54.767 56.048 -0.155 0.000 1.126 28 H CB 0.920 30.560 29.762 -0.203 0.000 1.838 28 H HN 0.129 nan 8.280 nan 0.000 0.552 29 L N -0.404 120.648 121.223 -0.286 0.000 2.469 29 L HA 0.690 5.032 4.340 0.003 0.000 0.256 29 L C -2.050 174.598 176.870 -0.370 0.000 1.006 29 L CA -1.150 53.526 54.840 -0.273 0.000 0.832 29 L CB 2.591 44.685 42.059 0.058 0.000 1.421 29 L HN 0.497 nan 8.230 nan 0.000 0.410 30 Y N 0.179 120.526 120.300 0.079 0.000 2.485 30 Y HA 0.965 5.516 4.550 0.002 0.000 0.345 30 Y C 0.627 176.310 175.900 -0.363 0.000 0.998 30 Y CA -0.236 57.808 58.100 -0.092 0.000 1.059 30 Y CB 2.473 40.870 38.460 -0.105 0.000 1.234 30 Y HN 1.008 nan 8.280 nan 0.000 0.461 31 G N 1.233 109.846 108.800 -0.312 0.000 2.338 31 G HA2 0.510 4.472 3.960 0.003 0.000 0.295 31 G HA3 0.510 4.472 3.960 0.003 0.000 0.295 31 G C -2.245 172.477 174.900 -0.297 0.000 1.461 31 G CA -0.906 43.557 45.100 -1.062 0.000 0.817 31 G HN 0.516 nan 8.290 nan 0.000 0.556 32 I N 2.124 122.565 120.570 -0.215 0.000 2.465 32 I HA 0.387 4.559 4.170 0.003 0.000 0.291 32 I C -1.979 174.321 176.117 0.306 0.000 1.014 32 I CA -2.190 59.190 61.300 0.133 0.000 1.093 32 I CB 2.846 40.895 38.000 0.082 0.000 1.267 32 I HN 0.266 nan 8.210 nan 0.000 0.431 33 P HA 0.260 nan 4.420 nan 0.000 0.272 33 P C -0.400 176.994 177.300 0.157 0.000 1.230 33 P CA 0.009 63.263 63.100 0.256 0.000 0.788 33 P CB 1.184 32.982 31.700 0.164 0.000 0.949 34 G N -0.553 108.307 108.800 0.100 0.000 2.690 34 G HA2 0.465 4.427 3.960 0.003 0.000 0.291 34 G HA3 0.465 4.427 3.960 0.003 0.000 0.291 34 G C 0.851 175.755 174.900 0.008 0.000 1.403 34 G CA -0.223 44.906 45.100 0.048 0.000 0.864 34 G HN 0.458 nan 8.290 nan 0.000 0.480 35 G N 0.169 108.958 108.800 -0.018 0.000 2.469 35 G HA2 -0.193 3.769 3.960 0.003 0.000 0.220 35 G HA3 -0.193 3.769 3.960 0.003 0.000 0.220 35 G C 2.044 176.913 174.900 -0.051 0.000 1.136 35 G CA 2.203 47.286 45.100 -0.029 0.000 0.759 35 G HN 1.452 nan 8.290 nan 0.000 0.562 36 S N -0.644 115.004 115.700 -0.086 0.000 2.547 36 S HA 0.150 4.621 4.470 0.003 0.000 0.235 36 S C 1.578 176.142 174.600 -0.060 0.000 0.980 36 S CA 0.893 59.055 58.200 -0.064 0.000 0.941 36 S CB 0.003 63.196 63.200 -0.011 0.000 0.763 36 S HN 0.386 nan 8.310 nan 0.000 0.532 37 I N -0.074 120.442 120.570 -0.090 0.000 4.026 37 I HA 0.320 4.491 4.170 0.003 0.000 0.324 37 I C 0.596 176.552 176.117 -0.268 0.000 1.474 37 I CA -0.125 61.066 61.300 -0.180 0.000 1.107 37 I CB 0.363 38.282 38.000 -0.135 0.000 1.345 37 I HN 0.005 nan 8.210 nan 0.000 0.531 38 N N 0.651 119.224 118.700 -0.212 0.000 2.457 38 N HA -0.084 4.657 4.740 0.003 0.000 0.180 38 N C 1.976 177.268 175.510 -0.364 0.000 1.050 38 N CA 1.453 54.408 53.050 -0.159 0.000 0.906 38 N CB 0.150 38.671 38.487 0.057 0.000 0.968 38 N HN 0.513 nan 8.380 nan 0.000 0.445 39 S N -0.034 115.114 115.700 -0.920 0.000 2.406 39 S HA 0.015 4.487 4.470 0.003 0.000 0.228 39 S C 1.867 176.011 174.600 -0.759 0.000 1.020 39 S CA 0.374 57.689 58.200 -1.475 0.000 0.965 39 S CB -0.110 61.599 63.200 -2.486 0.000 0.798 39 S HN 0.075 nan 8.310 nan 0.000 0.488 40 I N 1.633 121.861 120.570 -0.571 0.000 2.353 40 I HA -0.024 4.148 4.170 0.003 0.000 0.248 40 I C 2.371 178.226 176.117 -0.436 0.000 1.119 40 I CA 1.021 62.044 61.300 -0.462 0.000 1.417 40 I CB -1.111 36.597 38.000 -0.487 0.000 1.078 40 I HN 0.297 nan 8.210 nan 0.000 0.421 41 M N 0.240 119.581 119.600 -0.431 0.000 2.080 41 M HA -0.245 4.237 4.480 0.003 0.000 0.260 41 M C 1.998 178.178 176.300 -0.201 0.000 1.068 41 M CA 1.695 56.788 55.300 -0.344 0.000 1.109 41 M CB -1.501 30.959 32.600 -0.233 0.000 1.342 41 M HN 0.151 nan 8.290 nan 0.000 0.405 42 D N 0.056 120.378 120.400 -0.129 0.000 2.123 42 D HA -0.068 4.574 4.640 0.003 0.000 0.196 42 D C 1.928 178.211 176.300 -0.029 0.000 0.992 42 D CA 1.725 55.729 54.000 0.006 0.000 0.833 42 D CB 0.026 40.951 40.800 0.209 0.000 0.954 42 D HN 0.312 nan 8.370 nan 0.000 0.455 43 A N 0.089 122.842 122.820 -0.111 0.000 1.902 43 A HA -0.125 4.197 4.320 0.003 0.000 0.217 43 A C 2.457 179.986 177.584 -0.092 0.000 1.181 43 A CA 1.051 53.029 52.037 -0.097 0.000 0.623 43 A CB -0.809 18.104 19.000 -0.145 0.000 0.818 43 A HN 0.344 nan 8.150 nan 0.000 0.443 44 L N -0.936 120.202 121.223 -0.141 0.000 2.141 44 L HA -0.142 4.200 4.340 0.003 0.000 0.209 44 L C 2.889 179.733 176.870 -0.045 0.000 1.094 44 L CA 1.287 56.059 54.840 -0.114 0.000 0.763 44 L CB -0.387 41.550 42.059 -0.204 0.000 0.908 44 L HN 0.468 nan 8.230 nan 0.000 0.437 45 S N -0.208 115.470 115.700 -0.038 0.000 2.359 45 S HA -0.224 4.248 4.470 0.003 0.000 0.224 45 S C 2.140 176.754 174.600 0.024 0.000 1.035 45 S CA 1.383 59.592 58.200 0.014 0.000 1.018 45 S CB -0.145 63.068 63.200 0.022 0.000 0.876 45 S HN 0.478 nan 8.310 nan 0.000 0.448 46 A N 0.555 123.383 122.820 0.014 0.000 2.076 46 A HA -0.052 4.270 4.320 0.003 0.000 0.220 46 A C 1.654 179.246 177.584 0.012 0.000 1.160 46 A CA 1.376 53.423 52.037 0.017 0.000 0.653 46 A CB -0.210 18.799 19.000 0.016 0.000 0.801 46 A HN 0.515 nan 8.150 nan 0.000 0.455 47 E N -0.939 119.263 120.200 0.002 0.000 2.651 47 E HA 0.033 4.385 4.350 0.003 0.000 0.208 47 E C 1.272 177.870 176.600 -0.004 0.000 0.997 47 E CA 0.002 56.398 56.400 -0.008 0.000 1.020 47 E CB 0.153 29.836 29.700 -0.028 0.000 1.052 47 E HN 0.864 nan 8.360 nan 0.000 0.465 48 R N 0.091 120.610 120.500 0.032 0.000 2.293 48 R HA -0.029 4.313 4.340 0.003 0.000 0.219 48 R C 0.861 177.209 176.300 0.080 0.000 1.091 48 R CA 0.942 57.084 56.100 0.071 0.000 1.004 48 R CB 0.041 30.410 30.300 0.115 0.000 0.865 48 R HN -0.118 nan 8.270 nan 0.000 0.469 49 D N 0.882 121.313 120.400 0.052 0.000 2.289 49 D HA -0.015 4.626 4.640 0.003 0.000 0.207 49 D C 1.374 177.688 176.300 0.024 0.000 0.966 49 D CA 0.819 54.861 54.000 0.069 0.000 0.868 49 D CB 0.231 41.062 40.800 0.052 0.000 0.943 49 D HN 0.300 nan 8.370 nan 0.000 0.514 50 R N -0.618 119.844 120.500 -0.064 0.000 2.344 50 R HA 0.374 4.716 4.340 0.003 0.000 0.209 50 R C 0.406 176.541 176.300 -0.275 0.000 0.886 50 R CA 0.023 56.053 56.100 -0.115 0.000 1.040 50 R CB 1.742 32.008 30.300 -0.056 0.000 1.114 50 R HN 0.019 nan 8.270 nan 0.000 0.547 51 I N 0.949 121.303 120.570 -0.359 0.000 2.656 51 I HA 0.261 4.433 4.170 0.003 0.000 0.292 51 I C -1.289 174.566 176.117 -0.437 0.000 1.144 51 I CA -0.993 60.060 61.300 -0.412 0.000 1.038 51 I CB 1.544 39.450 38.000 -0.156 0.000 1.244 51 I HN 0.125 nan 8.210 nan 0.000 0.420 52 H N 6.989 126.093 119.070 0.057 0.000 2.640 52 H HA 0.141 4.699 4.556 0.003 0.000 0.297 52 H C -1.182 174.171 175.328 0.042 0.000 1.073 52 H CA -0.313 55.765 56.048 0.051 0.000 1.305 52 H CB 0.534 30.305 29.762 0.015 0.000 1.404 52 H HN 0.486 nan 8.280 nan 0.000 0.459 53 Y N 4.779 125.107 120.300 0.047 0.000 2.359 53 Y HA 0.178 4.729 4.550 0.002 0.000 0.334 53 Y C -0.600 175.264 175.900 -0.060 0.000 1.058 53 Y CA -0.908 57.203 58.100 0.019 0.000 1.244 53 Y CB 0.477 38.996 38.460 0.099 0.000 1.187 53 Y HN 0.414 nan 8.280 nan 0.000 0.510 54 I N 7.540 127.611 120.570 -0.831 0.000 2.330 54 I HA 0.173 4.345 4.170 0.003 0.000 0.286 54 I C -0.206 175.357 176.117 -0.923 0.000 1.025 54 I CA -0.622 60.081 61.300 -0.996 0.000 1.197 54 I CB 1.026 38.570 38.000 -0.761 0.000 1.358 54 I HN 0.638 nan 8.210 nan 0.000 0.467 55 Q N 6.996 126.368 119.800 -0.714 0.000 2.307 55 Q HA 0.367 4.709 4.340 0.003 0.000 0.259 55 Q C -0.695 175.321 176.000 0.028 0.000 0.998 55 Q CA -0.215 55.434 55.803 -0.256 0.000 0.923 55 Q CB 1.697 30.466 28.738 0.051 0.000 1.196 55 Q HN 0.609 nan 8.270 nan 0.000 0.416 56 V N 2.878 122.809 119.914 0.029 0.000 3.234 56 V HA 0.526 4.648 4.120 0.003 0.000 0.317 56 V C 0.676 176.815 176.094 0.076 0.000 1.081 56 V CA -0.668 61.672 62.300 0.067 0.000 1.037 56 V CB 1.470 33.321 31.823 0.046 0.000 1.148 56 V HN 0.762 nan 8.190 nan 0.000 0.453 57 R N -0.617 119.931 120.500 0.080 0.000 2.335 57 R HA 0.313 4.655 4.340 0.003 0.000 0.210 57 R C 0.109 176.476 176.300 0.112 0.000 0.892 57 R CA 0.249 56.400 56.100 0.084 0.000 1.048 57 R CB -0.270 30.073 30.300 0.072 0.000 1.067 57 R HN 0.925 nan 8.270 nan 0.000 0.524 58 H N 0.355 119.420 119.070 -0.008 0.000 2.877 58 H HA 0.204 4.762 4.556 0.003 0.000 0.347 58 H C -0.159 175.137 175.328 -0.053 0.000 1.042 58 H CA -0.234 55.785 56.048 -0.048 0.000 1.276 58 H CB 1.746 31.434 29.762 -0.124 0.000 1.681 58 H HN -0.202 nan 8.280 nan 0.000 0.521 59 E N 2.318 122.567 120.200 0.082 0.000 2.265 59 E HA -0.198 4.154 4.350 0.003 0.000 0.196 59 E C 1.784 178.474 176.600 0.151 0.000 0.996 59 E CA 1.351 57.813 56.400 0.104 0.000 0.832 59 E CB 0.192 29.960 29.700 0.113 0.000 0.756 59 E HN 0.794 nan 8.360 nan 0.000 0.491 60 E N 0.505 120.895 120.200 0.317 0.000 2.153 60 E HA -0.172 4.180 4.350 0.003 0.000 0.194 60 E C 1.766 178.359 176.600 -0.012 0.000 0.988 60 E CA 1.270 57.735 56.400 0.108 0.000 0.811 60 E CB -0.150 29.526 29.700 -0.039 0.000 0.746 60 E HN 0.123 nan 8.360 nan 0.000 0.466 61 V N 1.392 121.291 119.914 -0.026 0.000 2.427 61 V HA -0.140 3.982 4.120 0.003 0.000 0.248 61 V C 2.486 178.470 176.094 -0.184 0.000 1.051 61 V CA 1.829 64.072 62.300 -0.095 0.000 1.048 61 V CB -0.740 31.047 31.823 -0.060 0.000 0.666 61 V HN 0.570 nan 8.190 nan 0.000 0.456 62 G N -0.380 108.340 108.800 -0.134 0.000 2.418 62 G HA2 -0.181 3.780 3.960 0.003 0.000 0.217 62 G HA3 -0.181 3.780 3.960 0.003 0.000 0.217 62 G C 1.721 176.484 174.900 -0.229 0.000 1.158 62 G CA 1.014 45.990 45.100 -0.206 0.000 0.771 62 G HN 0.597 nan 8.290 nan 0.000 0.545 63 A N 0.330 123.090 122.820 -0.100 0.000 1.930 63 A HA 0.215 4.537 4.320 0.003 0.000 0.215 63 A C 2.428 179.956 177.584 -0.093 0.000 1.176 63 A CA 1.391 53.393 52.037 -0.059 0.000 0.632 63 A CB -0.265 18.739 19.000 0.008 0.000 0.819 63 A HN 0.357 nan 8.150 nan 0.000 0.445 64 M N -0.480 119.057 119.600 -0.105 0.000 2.175 64 M HA -0.119 4.363 4.480 0.003 0.000 0.264 64 M C 2.445 178.652 176.300 -0.156 0.000 1.063 64 M CA 1.422 56.665 55.300 -0.094 0.000 1.119 64 M CB -0.298 32.258 32.600 -0.074 0.000 1.377 64 M HN 0.473 nan 8.290 nan 0.000 0.415 65 A N 0.097 122.721 122.820 -0.327 0.000 1.968 65 A HA 0.085 4.407 4.320 0.003 0.000 0.217 65 A C 2.327 179.717 177.584 -0.324 0.000 1.169 65 A CA 1.498 53.265 52.037 -0.450 0.000 0.638 65 A CB -0.713 17.720 19.000 -0.946 0.000 0.812 65 A HN 0.467 nan 8.150 nan 0.000 0.446 66 A N 0.152 122.806 122.820 -0.278 0.000 1.902 66 A HA 0.169 4.491 4.320 0.003 0.000 0.217 66 A C 2.501 180.086 177.584 0.001 0.000 1.181 66 A CA 1.972 54.020 52.037 0.018 0.000 0.623 66 A CB -1.033 18.000 19.000 0.056 0.000 0.818 66 A HN 1.005 nan 8.150 nan 0.000 0.443 67 A N -0.014 122.783 122.820 -0.038 0.000 1.883 67 A HA 0.083 4.405 4.320 0.003 0.000 0.217 67 A C 2.523 180.114 177.584 0.012 0.000 1.186 67 A CA 2.377 54.402 52.037 -0.019 0.000 0.624 67 A CB -1.093 17.893 19.000 -0.023 0.000 0.822 67 A HN 1.109 nan 8.150 nan 0.000 0.444 68 A N -0.319 122.508 122.820 0.012 0.000 1.902 68 A HA -0.182 4.139 4.320 0.003 0.000 0.217 68 A C 1.797 179.437 177.584 0.093 0.000 1.181 68 A CA 1.821 53.889 52.037 0.051 0.000 0.623 68 A CB -0.629 18.396 19.000 0.042 0.000 0.818 68 A HN 0.473 nan 8.150 nan 0.000 0.443 69 D N 0.153 120.620 120.400 0.111 0.000 2.133 69 D HA -0.160 4.482 4.640 0.003 0.000 0.192 69 D C 2.197 178.558 176.300 0.103 0.000 1.001 69 D CA 1.796 55.883 54.000 0.145 0.000 0.844 69 D CB -0.329 40.564 40.800 0.156 0.000 0.944 69 D HN 0.445 nan 8.370 nan 0.000 0.447 70 A N 0.583 123.444 122.820 0.068 0.000 1.897 70 A HA -0.131 4.191 4.320 0.003 0.000 0.215 70 A C 2.105 179.740 177.584 0.085 0.000 1.181 70 A CA 1.253 53.326 52.037 0.060 0.000 0.620 70 A CB -0.274 18.733 19.000 0.013 0.000 0.821 70 A HN 0.105 nan 8.150 nan 0.000 0.443 71 K N -0.376 120.072 120.400 0.080 0.000 2.074 71 K HA -0.091 4.230 4.320 0.003 0.000 0.209 71 K C 1.754 178.421 176.600 0.112 0.000 1.048 71 K CA 1.586 57.926 56.287 0.087 0.000 0.926 71 K CB -0.318 32.228 32.500 0.076 0.000 0.713 71 K HN 0.471 nan 8.250 nan 0.000 0.444 72 L N -0.386 120.923 121.223 0.143 0.000 2.127 72 L HA -0.092 4.250 4.340 0.003 0.000 0.203 72 L C 2.355 179.358 176.870 0.222 0.000 1.080 72 L CA 1.423 56.384 54.840 0.202 0.000 0.768 72 L CB -0.221 42.008 42.059 0.283 0.000 0.924 72 L HN 0.364 nan 8.230 nan 0.000 0.444 73 T N -5.540 109.122 114.554 0.179 0.000 2.969 73 T HA 0.247 4.599 4.350 0.003 0.000 0.250 73 T C 1.490 176.277 174.700 0.145 0.000 1.021 73 T CA 0.501 62.701 62.100 0.167 0.000 1.003 73 T CB 0.852 69.788 68.868 0.114 0.000 1.040 73 T HN 0.343 nan 8.240 nan 0.000 0.492 74 G N 1.764 110.648 108.800 0.140 0.000 2.189 74 G HA2 -0.315 3.646 3.960 0.003 0.000 0.267 74 G HA3 -0.315 3.646 3.960 0.003 0.000 0.267 74 G C -0.033 175.004 174.900 0.228 0.000 0.975 74 G CA 0.621 45.817 45.100 0.160 0.000 0.644 74 G HN 0.921 nan 8.290 nan 0.000 0.537 75 K N 0.376 120.891 120.400 0.191 0.000 2.130 75 K HA 0.651 4.973 4.320 0.003 0.000 0.268 75 K C 0.825 177.481 176.600 0.093 0.000 0.983 75 K CA -1.124 55.308 56.287 0.241 0.000 0.893 75 K CB 0.796 33.397 32.500 0.168 0.000 1.066 75 K HN 0.228 nan 8.250 nan 0.000 0.450 76 I N 3.658 124.199 120.570 -0.047 0.000 2.821 76 I HA -0.010 4.162 4.170 0.003 0.000 0.294 76 I C 0.403 176.436 176.117 -0.140 0.000 1.210 76 I CA 0.621 61.742 61.300 -0.298 0.000 1.430 76 I CB 0.252 37.888 38.000 -0.607 0.000 1.356 76 I HN 0.822 nan 8.210 nan 0.000 0.563 77 G N 6.389 115.127 108.800 -0.104 0.000 2.444 77 G HA2 0.511 4.473 3.960 0.003 0.000 0.268 77 G HA3 0.511 4.473 3.960 0.003 0.000 0.268 77 G C -0.980 173.900 174.900 -0.035 0.000 1.203 77 G CA -0.452 44.630 45.100 -0.031 0.000 0.835 77 G HN 0.523 nan 8.290 nan 0.000 0.543 78 V N 0.793 120.725 119.914 0.030 0.000 2.588 78 V HA 0.607 4.729 4.120 0.003 0.000 0.304 78 V C 0.229 176.429 176.094 0.176 0.000 1.042 78 V CA -0.724 61.605 62.300 0.048 0.000 0.877 78 V CB 0.964 32.791 31.823 0.005 0.000 0.996 78 V HN 1.232 nan 8.190 nan 0.000 0.425 79 C N 3.345 122.739 119.300 0.156 0.000 3.171 79 C HA 1.003 5.465 4.460 0.003 0.000 0.308 79 C C -0.962 174.156 174.990 0.214 0.000 1.334 79 C CA -1.064 58.059 59.018 0.175 0.000 1.473 79 C CB 1.227 29.027 27.740 0.101 0.000 1.866 79 C HN 1.037 nan 8.230 nan 0.000 0.465 80 F N -0.333 119.674 119.950 0.095 0.000 2.645 80 F HA 0.937 5.466 4.527 0.002 0.000 0.310 80 F C -0.302 175.541 175.800 0.071 0.000 1.102 80 F CA -0.235 57.792 58.000 0.044 0.000 0.952 80 F CB 1.427 40.434 39.000 0.011 0.000 1.326 80 F HN 1.154 nan 8.300 nan 0.000 0.456 81 G N 0.452 109.430 108.800 0.296 0.000 2.696 81 G HA2 0.535 4.496 3.960 0.003 0.000 0.295 81 G HA3 0.535 4.496 3.960 0.003 0.000 0.295 81 G C -1.379 173.664 174.900 0.238 0.000 1.398 81 G CA -0.620 44.608 45.100 0.214 0.000 0.920 81 G HN 1.083 nan 8.290 nan 0.000 0.492 82 S N 0.152 115.968 115.700 0.194 0.000 2.600 82 S HA 0.620 5.092 4.470 0.003 0.000 0.265 82 S C 0.966 175.645 174.600 0.132 0.000 1.325 82 S CA 0.215 58.499 58.200 0.140 0.000 1.002 82 S CB 1.067 64.329 63.200 0.104 0.000 0.921 82 S HN 1.945 nan 8.310 nan 0.000 0.554 83 A N 1.428 124.337 122.820 0.147 0.000 2.555 83 A HA 0.505 4.827 4.320 0.003 0.000 0.233 83 A C 1.534 179.236 177.584 0.197 0.000 1.060 83 A CA 0.375 52.545 52.037 0.220 0.000 0.759 83 A CB -1.511 17.746 19.000 0.430 0.000 0.995 83 A HN 2.508 nan 8.150 nan 0.000 0.506 84 G N 2.080 110.986 108.800 0.178 0.000 2.557 84 G HA2 -0.275 3.687 3.960 0.003 0.000 0.292 84 G HA3 -0.275 3.687 3.960 0.003 0.000 0.292 84 G C -0.723 174.220 174.900 0.073 0.000 1.162 84 G CA 0.419 45.591 45.100 0.119 0.000 0.964 84 G HN 0.876 nan 8.290 nan 0.000 0.541 85 P HA 0.041 nan 4.420 nan 0.000 0.223 85 P C 1.866 179.080 177.300 -0.143 0.000 1.151 85 P CA 2.291 65.327 63.100 -0.107 0.000 0.787 85 P CB -0.588 31.020 31.700 -0.154 0.000 0.788 86 G N 0.668 109.460 108.800 -0.014 0.000 2.404 86 G HA2 -0.164 3.798 3.960 0.003 0.000 0.215 86 G HA3 -0.164 3.798 3.960 0.003 0.000 0.215 86 G C 1.847 176.820 174.900 0.122 0.000 1.174 86 G CA 0.851 45.979 45.100 0.047 0.000 0.780 86 G HN 0.353 nan 8.290 nan 0.000 0.537 87 G N 0.581 109.476 108.800 0.159 0.000 2.408 87 G HA2 -0.140 3.822 3.960 0.003 0.000 0.217 87 G HA3 -0.140 3.822 3.960 0.003 0.000 0.217 87 G C 1.988 177.067 174.900 0.299 0.000 1.150 87 G CA 2.097 47.352 45.100 0.259 0.000 0.776 87 G HN 0.556 nan 8.290 nan 0.000 0.542 88 T N -2.221 112.441 114.554 0.179 0.000 2.915 88 T HA -0.074 4.277 4.350 0.003 0.000 0.269 88 T C 1.896 176.725 174.700 0.215 0.000 1.071 88 T CA 1.330 63.503 62.100 0.122 0.000 1.132 88 T CB -0.634 68.250 68.868 0.027 0.000 0.878 88 T HN 0.538 nan 8.240 nan 0.000 0.479 89 H N 0.714 119.853 119.070 0.114 0.000 2.489 89 H HA 0.111 4.669 4.556 0.003 0.000 0.293 89 H C 1.928 177.364 175.328 0.181 0.000 1.066 89 H CA 0.769 56.908 56.048 0.152 0.000 1.305 89 H CB -0.172 29.617 29.762 0.045 0.000 1.386 89 H HN 0.319 nan 8.280 nan 0.000 0.551 90 L N -0.085 121.302 121.223 0.273 0.000 2.275 90 L HA -0.197 4.145 4.340 0.003 0.000 0.215 90 L C 2.243 179.216 176.870 0.172 0.000 1.119 90 L CA 0.099 55.053 54.840 0.190 0.000 0.790 90 L CB -0.231 41.932 42.059 0.173 0.000 0.919 90 L HN 0.361 nan 8.230 nan 0.000 0.443 91 M N 0.080 119.807 119.600 0.211 0.000 2.088 91 M HA -0.271 4.210 4.480 0.003 0.000 0.256 91 M C 1.970 178.438 176.300 0.279 0.000 1.071 91 M CA 1.940 57.386 55.300 0.244 0.000 1.097 91 M CB -1.510 31.250 32.600 0.267 0.000 1.315 91 M HN 0.283 nan 8.290 nan 0.000 0.406 92 N N 0.163 119.018 118.700 0.258 0.000 2.149 92 N HA -0.103 4.638 4.740 0.003 0.000 0.188 92 N C 1.766 177.407 175.510 0.219 0.000 1.019 92 N CA 1.692 54.934 53.050 0.319 0.000 0.857 92 N CB -0.698 37.929 38.487 0.233 0.000 0.997 92 N HN 0.540 nan 8.380 nan 0.000 0.426 93 G N 0.250 109.116 108.800 0.111 0.000 2.403 93 G HA2 -0.099 3.863 3.960 0.003 0.000 0.216 93 G HA3 -0.099 3.863 3.960 0.003 0.000 0.216 93 G C 1.415 176.308 174.900 -0.013 0.000 1.154 93 G CA 0.276 45.400 45.100 0.040 0.000 0.784 93 G HN 0.201 nan 8.290 nan 0.000 0.538 94 L N -1.110 120.094 121.223 -0.032 0.000 2.109 94 L HA 0.001 4.343 4.340 0.003 0.000 0.207 94 L C 2.619 179.304 176.870 -0.309 0.000 1.086 94 L CA 0.793 55.543 54.840 -0.150 0.000 0.760 94 L CB -0.485 41.481 42.059 -0.156 0.000 0.910 94 L HN 0.134 nan 8.230 nan 0.000 0.437 95 Y N 0.393 120.480 120.300 -0.355 0.000 2.293 95 Y HA -0.270 4.282 4.550 0.003 0.000 0.291 95 Y C 2.399 177.894 175.900 -0.675 0.000 1.137 95 Y CA 1.740 59.404 58.100 -0.727 0.000 1.202 95 Y CB -0.309 37.285 38.460 -1.444 0.000 0.990 95 Y HN 0.266 nan 8.280 nan 0.000 0.537 96 D N -0.461 119.804 120.400 -0.225 0.000 2.117 96 D HA -0.180 4.461 4.640 0.003 0.000 0.197 96 D C 2.211 178.474 176.300 -0.062 0.000 0.987 96 D CA 1.335 55.338 54.000 0.004 0.000 0.829 96 D CB -0.154 40.725 40.800 0.132 0.000 0.961 96 D HN 0.234 nan 8.370 nan 0.000 0.460 97 A N 0.336 123.097 122.820 -0.100 0.000 1.898 97 A HA -0.146 4.175 4.320 0.003 0.000 0.216 97 A C 2.269 179.754 177.584 -0.165 0.000 1.181 97 A CA 1.554 53.528 52.037 -0.104 0.000 0.620 97 A CB -0.676 18.262 19.000 -0.103 0.000 0.819 97 A HN 0.252 nan 8.150 nan 0.000 0.442 98 R N -0.430 119.930 120.500 -0.234 0.000 2.073 98 R HA -0.146 4.195 4.340 0.003 0.000 0.234 98 R C 1.754 177.818 176.300 -0.393 0.000 1.134 98 R CA 1.723 57.654 56.100 -0.282 0.000 0.952 98 R CB -0.167 29.946 30.300 -0.311 0.000 0.850 98 R HN 0.449 nan 8.270 nan 0.000 0.433 99 E N 0.343 120.370 120.200 -0.287 0.000 2.158 99 E HA -0.100 4.251 4.350 0.003 0.000 0.191 99 E C 1.016 177.464 176.600 -0.254 0.000 0.982 99 E CA 0.818 57.067 56.400 -0.252 0.000 0.823 99 E CB -0.023 29.655 29.700 -0.037 0.000 0.766 99 E HN 0.372 nan 8.360 nan 0.000 0.468 100 D N -0.099 120.218 120.400 -0.140 0.000 2.340 100 D HA 0.007 4.648 4.640 0.003 0.000 0.220 100 D C -0.553 175.773 176.300 0.043 0.000 1.039 100 D CA 0.115 54.109 54.000 -0.010 0.000 0.866 100 D CB -0.295 40.524 40.800 0.031 0.000 0.913 100 D HN 0.232 nan 8.370 nan 0.000 0.523 101 H N -1.456 117.625 119.070 0.018 0.000 2.680 101 H HA -0.131 4.429 4.556 0.006 0.000 0.328 101 H C -0.492 174.848 175.328 0.020 0.000 1.139 101 H CA 0.353 56.413 56.048 0.019 0.000 1.124 101 H CB -1.673 28.107 29.762 0.032 0.000 1.584 101 H HN 0.001 nan 8.280 nan 0.000 0.410 102 V N -1.497 118.448 119.914 0.051 0.000 2.789 102 V HA 0.734 4.855 4.120 0.003 0.000 0.311 102 V C -2.465 173.612 176.094 -0.027 0.000 1.073 102 V CA -2.501 59.821 62.300 0.036 0.000 0.921 102 V CB 2.877 34.720 31.823 0.035 0.000 1.009 102 V HN 0.067 nan 8.190 nan 0.000 0.426 103 P HA 0.395 nan 4.420 nan 0.000 0.276 103 P C -0.864 176.311 177.300 -0.209 0.000 1.235 103 P CA -0.013 62.971 63.100 -0.193 0.000 0.772 103 P CB 1.589 33.052 31.700 -0.394 0.000 0.871 104 V N 4.845 124.640 119.914 -0.197 0.000 2.733 104 V HA 0.255 4.376 4.120 0.003 0.000 0.306 104 V C -0.273 175.718 176.094 -0.172 0.000 1.084 104 V CA -0.796 61.409 62.300 -0.159 0.000 0.905 104 V CB 2.283 34.044 31.823 -0.104 0.000 1.010 104 V HN 0.406 nan 8.190 nan 0.000 0.424 105 L N 4.670 125.795 121.223 -0.163 0.000 2.282 105 L HA 0.927 5.269 4.340 0.003 0.000 0.288 105 L C 0.140 176.964 176.870 -0.077 0.000 1.033 105 L CA 0.118 54.872 54.840 -0.144 0.000 0.807 105 L CB 1.271 43.223 42.059 -0.178 0.000 1.209 105 L HN 0.802 nan 8.230 nan 0.000 0.423 106 A N 6.428 129.200 122.820 -0.080 0.000 2.331 106 A HA 0.725 5.046 4.320 0.003 0.000 0.320 106 A C -1.165 176.376 177.584 -0.071 0.000 1.138 106 A CA -0.592 51.413 52.037 -0.054 0.000 0.790 106 A CB 0.704 19.652 19.000 -0.086 0.000 1.206 106 A HN 0.718 nan 8.150 nan 0.000 0.470 107 L N 3.845 125.070 121.223 0.003 0.000 2.296 107 L HA 0.496 4.838 4.340 0.003 0.000 0.286 107 L C -0.777 176.090 176.870 -0.005 0.000 1.023 107 L CA -0.637 54.189 54.840 -0.024 0.000 0.812 107 L CB 1.288 43.337 42.059 -0.017 0.000 1.223 107 L HN 0.493 nan 8.230 nan 0.000 0.421 108 I N 2.264 122.783 120.570 -0.084 0.000 2.433 108 I HA 0.374 4.546 4.170 0.003 0.000 0.292 108 I C 0.797 176.902 176.117 -0.020 0.000 1.001 108 I CA -0.343 60.922 61.300 -0.058 0.000 1.119 108 I CB 1.483 39.374 38.000 -0.181 0.000 1.289 108 I HN 0.563 nan 8.210 nan 0.000 0.438 109 G N 4.116 112.937 108.800 0.035 0.000 2.544 109 G HA2 0.335 4.297 3.960 0.003 0.000 0.242 109 G HA3 0.335 4.297 3.960 0.003 0.000 0.242 109 G C -0.494 174.461 174.900 0.091 0.000 1.247 109 G CA 0.093 45.215 45.100 0.035 0.000 0.840 109 G HN 0.596 nan 8.290 nan 0.000 0.578 110 Q N -0.059 119.809 119.800 0.113 0.000 2.377 110 Q HA 0.481 4.823 4.340 0.003 0.000 0.279 110 Q C -0.485 175.711 176.000 0.327 0.000 1.049 110 Q CA -0.810 55.117 55.803 0.206 0.000 0.825 110 Q CB 1.129 29.913 28.738 0.076 0.000 1.401 110 Q HN 0.494 nan 8.270 nan 0.000 0.404 111 F N 0.901 120.854 119.950 0.004 0.000 2.586 111 F HA 0.369 4.898 4.527 0.003 0.000 0.335 111 F C 1.532 177.340 175.800 0.013 0.000 1.210 111 F CA -0.286 57.722 58.000 0.013 0.000 1.359 111 F CB 0.458 39.469 39.000 0.018 0.000 1.142 111 F HN 0.640 nan 8.300 nan 0.000 0.606 112 G N 0.035 108.970 108.800 0.226 0.000 2.569 112 G HA2 0.272 4.233 3.960 0.003 0.000 0.249 112 G HA3 0.272 4.233 3.960 0.003 0.000 0.249 112 G C 0.885 175.847 174.900 0.103 0.000 1.216 112 G CA -0.073 45.107 45.100 0.134 0.000 0.845 112 G HN 0.791 nan 8.290 nan 0.000 0.568 113 T N -2.125 112.471 114.554 0.070 0.000 2.857 113 T HA -0.168 4.183 4.350 0.003 0.000 0.266 113 T C 2.397 177.126 174.700 0.048 0.000 1.048 113 T CA 2.115 64.244 62.100 0.048 0.000 1.139 113 T CB -0.716 68.172 68.868 0.033 0.000 0.874 113 T HN 0.661 nan 8.240 nan 0.000 0.455 114 T N 0.724 115.311 114.554 0.056 0.000 2.643 114 T HA 0.257 4.609 4.350 0.003 0.000 0.256 114 T C 1.635 176.369 174.700 0.058 0.000 1.061 114 T CA 0.573 62.703 62.100 0.050 0.000 1.163 114 T CB -1.374 67.523 68.868 0.048 0.000 0.865 114 T HN 0.573 nan 8.240 nan 0.000 0.407 124 M N 2.919 122.306 119.600 -0.356 0.000 2.200 124 M HA 0.221 4.702 4.480 0.003 0.000 0.355 124 M C -0.065 176.127 176.300 -0.180 0.000 1.283 124 M CA -0.115 55.068 55.300 -0.195 0.000 1.124 124 M CB 0.408 32.930 32.600 -0.130 0.000 1.625 124 M HN 0.199 nan 8.290 nan 0.000 0.463 125 N N 3.827 122.462 118.700 -0.108 0.000 2.401 125 N HA 0.074 4.815 4.740 0.003 0.000 0.255 125 N C -0.192 175.296 175.510 -0.037 0.000 1.110 125 N CA 0.308 53.313 53.050 -0.074 0.000 0.949 125 N CB 0.690 39.143 38.487 -0.057 0.000 1.110 125 N HN 0.774 nan 8.380 nan 0.000 0.490 126 E N 2.001 122.198 120.200 -0.005 0.000 2.431 126 E HA 0.011 4.363 4.350 0.003 0.000 0.200 126 E C 1.076 177.766 176.600 0.149 0.000 0.995 126 E CA -0.117 56.329 56.400 0.078 0.000 0.915 126 E CB 0.116 29.895 29.700 0.132 0.000 0.930 126 E HN 0.623 nan 8.360 nan 0.000 0.496 127 N N 1.448 120.198 118.700 0.083 0.000 2.104 127 N HA -0.109 4.633 4.740 0.003 0.000 0.190 127 N C -1.028 174.528 175.510 0.076 0.000 1.024 127 N CA 1.223 54.327 53.050 0.090 0.000 0.853 127 N CB -0.382 38.111 38.487 0.011 0.000 1.008 127 N HN 0.102 nan 8.380 nan 0.000 0.424 128 P HA -0.023 nan 4.420 nan 0.000 0.220 128 P C 1.489 178.747 177.300 -0.071 0.000 1.148 128 P CA 0.756 63.842 63.100 -0.023 0.000 0.803 128 P CB -0.069 31.611 31.700 -0.033 0.000 0.782 129 I N -2.177 118.308 120.570 -0.141 0.000 2.264 129 I HA -0.251 3.921 4.170 0.003 0.000 0.248 129 I C 1.450 177.235 176.117 -0.553 0.000 1.111 129 I CA 1.679 62.737 61.300 -0.402 0.000 1.382 129 I CB -0.664 36.954 38.000 -0.637 0.000 1.060 129 I HN -0.016 nan 8.210 nan 0.000 0.418 130 Y N -0.025 120.257 120.300 -0.031 0.000 2.458 130 Y HA 0.365 4.916 4.550 0.002 0.000 0.256 130 Y C 2.206 178.057 175.900 -0.081 0.000 1.159 130 Y CA 0.197 58.259 58.100 -0.063 0.000 1.261 130 Y CB -0.410 38.006 38.460 -0.072 0.000 1.119 130 Y HN 0.009 nan 8.280 nan 0.000 0.524 131 A N 0.211 123.038 122.820 0.012 0.000 1.933 131 A HA -0.230 4.091 4.320 0.003 0.000 0.218 131 A C 1.809 179.380 177.584 -0.021 0.000 1.175 131 A CA 2.224 54.256 52.037 -0.007 0.000 0.628 131 A CB -0.511 18.480 19.000 -0.016 0.000 0.814 131 A HN 0.451 nan 8.150 nan 0.000 0.444 132 D N -1.222 119.171 120.400 -0.012 0.000 2.137 132 D HA -0.080 4.562 4.640 0.003 0.000 0.202 132 D C 1.713 177.972 176.300 -0.068 0.000 0.970 132 D CA 1.216 55.221 54.000 0.008 0.000 0.837 132 D CB -0.037 40.816 40.800 0.087 0.000 0.981 132 D HN 0.075 nan 8.370 nan 0.000 0.475 133 V N -0.124 119.663 119.914 -0.212 0.000 2.667 133 V HA 0.204 4.326 4.120 0.003 0.000 0.252 133 V C 0.806 176.718 176.094 -0.303 0.000 1.065 133 V CA 1.090 63.068 62.300 -0.538 0.000 1.083 133 V CB -0.397 30.850 31.823 -0.960 0.000 0.692 133 V HN 0.334 nan 8.190 nan 0.000 0.468 134 A N -0.454 122.269 122.820 -0.162 0.000 2.306 134 A HA 0.400 4.722 4.320 0.003 0.000 0.314 134 A C 0.674 178.183 177.584 -0.124 0.000 1.164 134 A CA -0.238 51.725 52.037 -0.125 0.000 0.822 134 A CB 0.506 19.467 19.000 -0.065 0.000 1.130 134 A HN 0.398 nan 8.150 nan 0.000 0.496 135 D N -0.477 119.831 120.400 -0.153 0.000 2.323 135 D HA 0.033 4.675 4.640 0.003 0.000 0.209 135 D C -0.786 175.415 176.300 -0.166 0.000 0.973 135 D CA 1.648 55.496 54.000 -0.253 0.000 0.874 135 D CB 0.227 40.741 40.800 -0.476 0.000 0.930 135 D HN 0.547 nan 8.370 nan 0.000 0.521 136 Y N 0.646 120.815 120.300 -0.218 0.000 2.396 136 Y HA 0.343 4.895 4.550 0.002 0.000 0.332 136 Y C -1.420 174.407 175.900 -0.123 0.000 1.034 136 Y CA -1.079 56.926 58.100 -0.159 0.000 1.057 136 Y CB 1.383 39.752 38.460 -0.152 0.000 1.220 136 Y HN -0.345 nan 8.280 nan 0.000 0.440 137 N N 5.316 123.797 118.700 -0.366 0.000 2.675 137 N HA 0.412 5.154 4.740 0.003 0.000 0.254 137 N C -2.181 173.137 175.510 -0.320 0.000 1.224 137 N CA -0.333 52.571 53.050 -0.244 0.000 0.777 137 N CB 0.992 39.416 38.487 -0.105 0.000 1.256 137 N HN 0.504 nan 8.380 nan 0.000 0.531 138 V N -0.397 119.303 119.914 -0.357 0.000 2.914 138 V HA 0.742 4.863 4.120 0.003 0.000 0.314 138 V C 0.035 176.041 176.094 -0.146 0.000 1.084 138 V CA -0.604 61.527 62.300 -0.282 0.000 0.963 138 V CB 1.626 33.224 31.823 -0.375 0.000 1.025 138 V HN 0.299 nan 8.190 nan 0.000 0.432 139 T N 3.575 118.069 114.554 -0.102 0.000 2.767 139 T HA 0.680 5.032 4.350 0.003 0.000 0.288 139 T C 0.365 175.039 174.700 -0.043 0.000 0.963 139 T CA 0.356 62.418 62.100 -0.063 0.000 1.019 139 T CB 1.127 69.967 68.868 -0.047 0.000 0.923 139 T HN 1.388 nan 8.240 nan 0.000 0.468 140 A N 2.746 125.549 122.820 -0.029 0.000 2.454 140 A HA 0.377 4.699 4.320 0.003 0.000 0.260 140 A C 1.338 178.920 177.584 -0.004 0.000 1.106 140 A CA -0.532 51.501 52.037 -0.007 0.000 0.780 140 A CB -0.063 18.932 19.000 -0.008 0.000 1.044 140 A HN 0.940 nan 8.150 nan 0.000 0.498 141 V N 0.344 120.261 119.914 0.005 0.000 3.578 141 V HA 0.300 4.421 4.120 0.003 0.000 0.290 141 V C 0.413 176.514 176.094 0.011 0.000 1.376 141 V CA 0.418 62.721 62.300 0.005 0.000 1.083 141 V CB -0.779 31.045 31.823 0.002 0.000 0.911 141 V HN 0.818 nan 8.190 nan 0.000 0.433 142 N N 0.026 118.735 118.700 0.016 0.000 2.425 142 N HA 0.483 5.225 4.740 0.003 0.000 0.289 142 N C 0.791 176.313 175.510 0.020 0.000 1.074 142 N CA 0.455 53.516 53.050 0.018 0.000 0.905 142 N CB 2.499 40.997 38.487 0.019 0.000 1.586 142 N HN 0.081 nan 8.380 nan 0.000 0.490 143 A N 3.259 126.091 122.820 0.019 0.000 1.908 143 A HA -0.099 4.222 4.320 0.003 0.000 0.218 143 A C 2.021 179.618 177.584 0.022 0.000 1.181 143 A CA 2.254 54.301 52.037 0.017 0.000 0.627 143 A CB -0.668 18.346 19.000 0.023 0.000 0.818 143 A HN 0.767 nan 8.150 nan 0.000 0.445 144 A N -0.622 122.212 122.820 0.023 0.000 1.969 144 A HA -0.045 4.277 4.320 0.003 0.000 0.218 144 A C 2.297 179.902 177.584 0.035 0.000 1.169 144 A CA 2.282 54.334 52.037 0.024 0.000 0.635 144 A CB -1.027 17.982 19.000 0.015 0.000 0.810 144 A HN 0.813 nan 8.150 nan 0.000 0.445 145 T N -3.084 111.496 114.554 0.043 0.000 3.081 145 T HA 0.105 4.457 4.350 0.003 0.000 0.250 145 T C 1.576 176.347 174.700 0.119 0.000 1.100 145 T CA 0.645 62.795 62.100 0.083 0.000 1.038 145 T CB -0.237 68.671 68.868 0.067 0.000 0.962 145 T HN 0.116 nan 8.240 nan 0.000 0.516 146 L N 2.938 124.201 121.223 0.067 0.000 2.011 146 L HA -0.040 4.302 4.340 0.003 0.000 0.225 146 L C -0.905 175.994 176.870 0.049 0.000 1.084 146 L CA 2.313 57.179 54.840 0.044 0.000 0.791 146 L CB -1.550 40.513 42.059 0.006 0.000 0.898 146 L HN 0.147 nan 8.230 nan 0.000 0.440 147 P HA -0.215 nan 4.420 nan 0.000 0.216 147 P C 1.633 178.984 177.300 0.085 0.000 1.153 147 P CA 1.879 65.014 63.100 0.060 0.000 0.858 147 P CB -0.412 31.326 31.700 0.064 0.000 0.789 148 H N -0.147 118.947 119.070 0.039 0.000 2.321 148 H HA -0.085 4.473 4.556 0.002 0.000 0.300 148 H C 1.684 177.041 175.328 0.048 0.000 1.087 148 H CA 1.500 57.578 56.048 0.049 0.000 1.319 148 H CB -0.487 29.302 29.762 0.044 0.000 1.379 148 H HN -0.125 nan 8.280 nan 0.000 0.501 149 V N 1.778 121.678 119.914 -0.023 0.000 2.287 149 V HA -0.265 3.857 4.120 0.003 0.000 0.248 149 V C 2.898 178.944 176.094 -0.080 0.000 1.053 149 V CA 1.503 63.793 62.300 -0.016 0.000 1.027 149 V CB -0.520 31.361 31.823 0.097 0.000 0.646 149 V HN 0.381 nan 8.190 nan 0.000 0.447 150 I N 0.484 121.017 120.570 -0.061 0.000 2.226 150 I HA -0.228 3.944 4.170 0.003 0.000 0.245 150 I C 2.357 178.374 176.117 -0.166 0.000 1.100 150 I CA 2.211 63.456 61.300 -0.091 0.000 1.374 150 I CB -1.262 36.706 38.000 -0.052 0.000 1.057 150 I HN 0.464 nan 8.210 nan 0.000 0.413 151 D N 0.651 120.984 120.400 -0.112 0.000 2.117 151 D HA -0.254 4.388 4.640 0.003 0.000 0.198 151 D C 2.103 178.280 176.300 -0.205 0.000 0.982 151 D CA 1.209 55.184 54.000 -0.040 0.000 0.828 151 D CB 0.155 41.029 40.800 0.125 0.000 0.967 151 D HN 0.145 nan 8.370 nan 0.000 0.464 152 E N 0.216 120.206 120.200 -0.351 0.000 2.077 152 E HA -0.118 4.233 4.350 0.003 0.000 0.193 152 E C 1.876 178.069 176.600 -0.678 0.000 0.989 152 E CA 1.524 57.652 56.400 -0.452 0.000 0.800 152 E CB -0.690 28.712 29.700 -0.496 0.000 0.746 152 E HN 0.320 nan 8.360 nan 0.000 0.452 153 A N 0.486 122.884 122.820 -0.704 0.000 1.908 153 A HA -0.160 4.161 4.320 0.003 0.000 0.218 153 A C 2.413 179.673 177.584 -0.540 0.000 1.181 153 A CA 1.661 53.246 52.037 -0.753 0.000 0.627 153 A CB -0.758 18.071 19.000 -0.285 0.000 0.818 153 A HN 0.362 nan 8.150 nan 0.000 0.445 154 I N -1.059 119.192 120.570 -0.532 0.000 2.226 154 I HA -0.262 3.910 4.170 0.003 0.000 0.245 154 I C 2.784 178.577 176.117 -0.540 0.000 1.100 154 I CA 1.339 62.240 61.300 -0.665 0.000 1.374 154 I CB -0.327 37.032 38.000 -1.069 0.000 1.057 154 I HN 0.283 nan 8.210 nan 0.000 0.413 155 R N 0.229 120.474 120.500 -0.425 0.000 2.091 155 R HA -0.121 4.221 4.340 0.003 0.000 0.238 155 R C 2.474 178.722 176.300 -0.087 0.000 1.136 155 R CA 1.134 57.144 56.100 -0.150 0.000 0.959 155 R CB -0.225 30.056 30.300 -0.031 0.000 0.856 155 R HN 0.326 nan 8.270 nan 0.000 0.437 156 R N 0.113 120.491 120.500 -0.204 0.000 2.073 156 R HA 0.006 4.347 4.340 0.003 0.000 0.229 156 R C 2.281 178.603 176.300 0.036 0.000 1.120 156 R CA 1.192 57.257 56.100 -0.060 0.000 0.967 156 R CB -0.500 29.663 30.300 -0.229 0.000 0.862 156 R HN 0.197 nan 8.270 nan 0.000 0.436 157 A N 0.741 123.475 122.820 -0.144 0.000 1.892 157 A HA -0.223 4.099 4.320 0.003 0.000 0.218 157 A C 1.968 179.488 177.584 -0.108 0.000 1.188 157 A CA 1.423 53.364 52.037 -0.160 0.000 0.631 157 A CB -0.815 17.997 19.000 -0.314 0.000 0.822 157 A HN 0.266 nan 8.150 nan 0.000 0.447 158 Y N -0.210 120.028 120.300 -0.103 0.000 2.145 158 Y HA -0.124 4.428 4.550 0.002 0.000 0.286 158 Y C 3.001 178.892 175.900 -0.015 0.000 1.145 158 Y CA 0.828 58.894 58.100 -0.057 0.000 1.148 158 Y CB -0.905 37.509 38.460 -0.076 0.000 0.981 158 Y HN 0.331 nan 8.280 nan 0.000 0.507 159 A N -0.676 122.233 122.820 0.149 0.000 1.908 159 A HA -0.233 4.089 4.320 0.003 0.000 0.218 159 A C 1.564 179.110 177.584 -0.063 0.000 1.181 159 A CA 2.191 54.239 52.037 0.020 0.000 0.627 159 A CB -0.935 18.041 19.000 -0.040 0.000 0.818 159 A HN 0.605 nan 8.150 nan 0.000 0.445 160 H N -1.177 117.912 119.070 0.031 0.000 2.539 160 H HA 0.174 4.734 4.556 0.007 0.000 0.269 160 H C -0.075 175.293 175.328 0.066 0.000 0.980 160 H CA 0.534 56.606 56.048 0.040 0.000 1.152 160 H CB 0.315 30.094 29.762 0.029 0.000 1.407 160 H HN 0.342 nan 8.280 nan 0.000 0.564 161 Q N 0.103 119.996 119.800 0.156 0.000 2.453 161 Q HA -0.147 4.195 4.340 0.003 0.000 0.330 161 Q C 0.416 176.493 176.000 0.127 0.000 1.417 161 Q CA 1.135 57.020 55.803 0.138 0.000 0.902 161 Q CB -1.600 27.230 28.738 0.154 0.000 1.154 161 Q HN 0.763 nan 8.270 nan 0.000 0.395 162 G N -2.223 106.606 108.800 0.049 0.000 2.677 162 G HA2 0.562 4.523 3.960 0.003 0.000 0.283 162 G HA3 0.562 4.523 3.960 0.003 0.000 0.283 162 G C -1.099 173.745 174.900 -0.093 0.000 1.221 162 G CA -0.149 44.936 45.100 -0.025 0.000 0.851 162 G HN 0.097 nan 8.290 nan 0.000 0.504 163 V N 0.989 120.830 119.914 -0.122 0.000 2.439 163 V HA 0.680 4.802 4.120 0.003 0.000 0.282 163 V C 0.437 176.462 176.094 -0.116 0.000 1.039 163 V CA -0.093 62.124 62.300 -0.138 0.000 0.913 163 V CB 0.895 32.618 31.823 -0.166 0.000 0.983 163 V HN 1.172 nan 8.190 nan 0.000 0.460 164 A N 4.728 127.482 122.820 -0.110 0.000 2.342 164 A HA 0.866 5.187 4.320 0.003 0.000 0.323 164 A C -0.943 176.611 177.584 -0.050 0.000 1.125 164 A CA -0.537 51.477 52.037 -0.039 0.000 0.785 164 A CB 1.649 20.598 19.000 -0.086 0.000 1.221 164 A HN 0.642 nan 8.150 nan 0.000 0.463 165 V N 2.744 122.642 119.914 -0.027 0.000 2.531 165 V HA 0.510 4.631 4.120 0.003 0.000 0.301 165 V C -0.637 175.394 176.094 -0.104 0.000 1.034 165 V CA -0.490 61.731 62.300 -0.132 0.000 0.865 165 V CB 1.697 33.369 31.823 -0.251 0.000 0.995 165 V HN 0.671 nan 8.190 nan 0.000 0.424 166 V N 4.707 124.552 119.914 -0.115 0.000 2.444 166 V HA 0.439 4.561 4.120 0.003 0.000 0.294 166 V C -0.439 175.579 176.094 -0.127 0.000 1.022 166 V CA -0.761 61.487 62.300 -0.087 0.000 0.850 166 V CB 1.841 33.649 31.823 -0.024 0.000 0.992 166 V HN 0.939 nan 8.190 nan 0.000 0.426 167 Q N 4.309 124.037 119.800 -0.120 0.000 2.267 167 Q HA 0.623 4.964 4.340 0.003 0.000 0.255 167 Q C -0.737 175.226 176.000 -0.062 0.000 0.923 167 Q CA 0.199 55.945 55.803 -0.096 0.000 0.925 167 Q CB 1.731 30.427 28.738 -0.071 0.000 1.195 167 Q HN 0.672 nan 8.270 nan 0.000 0.417 168 I N 4.649 125.185 120.570 -0.057 0.000 2.437 168 I HA 0.315 4.487 4.170 0.003 0.000 0.279 168 I C -2.299 173.794 176.117 -0.040 0.000 1.028 168 I CA -2.508 58.756 61.300 -0.060 0.000 1.142 168 I CB 1.626 39.568 38.000 -0.097 0.000 1.266 168 I HN 0.335 nan 8.210 nan 0.000 0.461 169 P HA -0.072 nan 4.420 nan 0.000 0.262 169 P C 0.942 178.233 177.300 -0.014 0.000 1.182 169 P CA 0.226 63.335 63.100 0.016 0.000 0.761 169 P CB 1.001 32.714 31.700 0.022 0.000 0.795 170 V N 3.412 123.327 119.914 0.001 0.000 2.867 170 V HA -0.197 3.925 4.120 0.003 0.000 0.260 170 V C 1.468 177.528 176.094 -0.057 0.000 1.099 170 V CA 2.353 64.605 62.300 -0.079 0.000 1.122 170 V CB -0.834 30.965 31.823 -0.040 0.000 0.708 170 V HN 0.612 nan 8.190 nan 0.000 0.490 171 D N -0.830 119.605 120.400 0.058 0.000 2.234 171 D HA -0.139 4.503 4.640 0.003 0.000 0.205 171 D C 2.035 178.390 176.300 0.092 0.000 0.962 171 D CA 0.809 54.897 54.000 0.146 0.000 0.855 171 D CB -0.355 40.525 40.800 0.133 0.000 0.951 171 D HN 0.480 nan 8.370 nan 0.000 0.500 172 L N 0.477 121.706 121.223 0.011 0.000 1.994 172 L HA -0.086 4.256 4.340 0.003 0.000 0.208 172 L C -0.258 176.594 176.870 -0.030 0.000 1.071 172 L CA 1.505 56.344 54.840 -0.002 0.000 0.745 172 L CB -1.884 40.164 42.059 -0.020 0.000 0.892 172 L HN 0.055 nan 8.230 nan 0.000 0.431 173 P HA -0.178 nan 4.420 nan 0.000 0.221 173 P C 1.046 178.265 177.300 -0.136 0.000 1.145 173 P CA 1.156 64.135 63.100 -0.202 0.000 0.795 173 P CB -0.072 31.392 31.700 -0.394 0.000 0.775 174 W N 0.035 121.320 121.300 -0.025 0.000 3.180 174 W HA 0.156 4.818 4.660 0.004 0.000 0.254 174 W C 0.370 176.880 176.519 -0.015 0.000 1.318 174 W CA 0.331 57.663 57.345 -0.022 0.000 1.608 174 W CB -0.671 28.776 29.460 -0.022 0.000 1.124 174 W HN 0.162 nan 8.180 nan 0.000 0.694 175 Q N 0.782 120.680 119.800 0.165 0.000 2.230 175 Q HA 0.172 4.514 4.340 0.003 0.000 0.253 175 Q C 0.390 176.435 176.000 0.075 0.000 0.919 175 Q CA -0.496 55.370 55.803 0.106 0.000 0.908 175 Q CB 1.486 30.269 28.738 0.075 0.000 1.245 175 Q HN -0.117 nan 8.270 nan 0.000 0.437 176 Q N 2.428 122.264 119.800 0.060 0.000 2.311 176 Q HA 0.241 4.583 4.340 0.003 0.000 0.272 176 Q C -0.201 175.818 176.000 0.032 0.000 1.012 176 Q CA 0.442 56.270 55.803 0.042 0.000 0.891 176 Q CB 0.422 29.180 28.738 0.033 0.000 1.201 176 Q HN 0.564 nan 8.270 nan 0.000 0.391 177 I N -1.289 119.297 120.570 0.027 0.000 2.969 177 I HA 0.532 4.704 4.170 0.003 0.000 0.307 177 I C -2.719 173.409 176.117 0.018 0.000 1.149 177 I CA -3.265 58.047 61.300 0.021 0.000 1.008 177 I CB 2.366 40.379 38.000 0.022 0.000 1.232 177 I HN 0.197 nan 8.210 nan 0.000 0.435 178 P HA 0.049 nan 4.420 nan 0.000 0.257 178 P C 0.396 177.704 177.300 0.013 0.000 1.189 178 P CA 0.283 63.391 63.100 0.012 0.000 0.780 178 P CB 0.981 32.687 31.700 0.010 0.000 0.772 179 A N 4.184 127.011 122.820 0.012 0.000 1.969 179 A HA -0.133 4.189 4.320 0.003 0.000 0.218 179 A C 0.936 178.525 177.584 0.009 0.000 1.169 179 A CA 0.972 53.016 52.037 0.011 0.000 0.635 179 A CB -0.684 18.321 19.000 0.009 0.000 0.810 179 A HN 0.523 nan 8.150 nan 0.000 0.445 195 P HA 0.318 nan 4.420 nan 0.000 0.264 195 P C -0.609 176.696 177.300 0.008 0.000 1.193 195 P CA 0.249 63.353 63.100 0.007 0.000 0.763 195 P CB 0.596 32.301 31.700 0.009 0.000 0.810 196 E N 4.206 124.410 120.200 0.006 0.000 2.342 196 E HA 0.402 4.753 4.350 0.003 0.000 0.257 196 E C -2.204 174.401 176.600 0.008 0.000 1.150 196 E CA -1.737 54.666 56.400 0.006 0.000 0.926 196 E CB -0.958 28.744 29.700 0.003 0.000 1.074 196 E HN 0.343 nan 8.360 nan 0.000 0.449 197 P HA 0.153 nan 4.420 nan 0.000 0.293 197 P C -1.100 176.204 177.300 0.008 0.000 1.300 197 P CA -0.534 62.572 63.100 0.009 0.000 0.792 197 P CB 0.573 32.278 31.700 0.009 0.000 0.925 198 D N 2.240 122.646 120.400 0.009 0.000 2.389 198 D HA -0.039 4.603 4.640 0.003 0.000 0.263 198 D C 1.441 177.745 176.300 0.007 0.000 1.255 198 D CA -0.104 53.901 54.000 0.008 0.000 0.914 198 D CB 0.687 41.493 40.800 0.010 0.000 1.116 198 D HN 0.152 nan 8.370 nan 0.000 0.502 199 V N 2.550 122.466 119.914 0.003 0.000 2.407 199 V HA -0.220 3.902 4.120 0.003 0.000 0.248 199 V C 1.824 177.918 176.094 0.001 0.000 1.055 199 V CA 1.242 63.543 62.300 0.001 0.000 1.049 199 V CB -0.490 31.332 31.823 -0.001 0.000 0.662 199 V HN 0.548 nan 8.190 nan 0.000 0.455 200 Q N 0.490 120.291 119.800 0.002 0.000 2.167 200 Q HA 0.004 4.345 4.340 0.003 0.000 0.202 200 Q C 2.423 178.425 176.000 0.003 0.000 0.970 200 Q CA 2.081 57.885 55.803 0.001 0.000 0.855 200 Q CB -0.575 28.164 28.738 0.002 0.000 0.911 200 Q HN 0.805 nan 8.270 nan 0.000 0.438 201 A N -0.131 122.694 122.820 0.008 0.000 1.873 201 A HA -0.109 4.213 4.320 0.003 0.000 0.215 201 A C 2.377 179.968 177.584 0.011 0.000 1.186 201 A CA 1.438 53.483 52.037 0.013 0.000 0.616 201 A CB -0.668 18.344 19.000 0.019 0.000 0.823 201 A HN 0.206 nan 8.150 nan 0.000 0.442 202 V N -0.131 119.788 119.914 0.009 0.000 2.332 202 V HA -0.243 3.878 4.120 0.003 0.000 0.248 202 V C 2.743 178.835 176.094 -0.003 0.000 1.055 202 V CA 2.510 64.814 62.300 0.006 0.000 1.038 202 V CB -1.244 30.581 31.823 0.004 0.000 0.651 202 V HN 0.610 nan 8.190 nan 0.000 0.450 203 T N -0.481 114.070 114.554 -0.006 0.000 2.737 203 T HA -0.188 4.163 4.350 0.003 0.000 0.265 203 T C 2.095 176.783 174.700 -0.020 0.000 1.038 203 T CA 1.616 63.708 62.100 -0.013 0.000 1.144 203 T CB -0.214 68.647 68.868 -0.012 0.000 0.866 203 T HN 0.403 nan 8.240 nan 0.000 0.434 204 R N 0.499 120.989 120.500 -0.017 0.000 2.083 204 R HA -0.019 4.323 4.340 0.003 0.000 0.237 204 R C 2.474 178.753 176.300 -0.035 0.000 1.137 204 R CA 1.283 57.367 56.100 -0.026 0.000 0.951 204 R CB -0.703 29.589 30.300 -0.012 0.000 0.851 204 R HN 0.305 nan 8.270 nan 0.000 0.434 205 L N 0.492 121.706 121.223 -0.014 0.000 2.012 205 L HA -0.224 4.118 4.340 0.003 0.000 0.210 205 L C 1.910 178.764 176.870 -0.027 0.000 1.073 205 L CA 1.900 56.734 54.840 -0.009 0.000 0.748 205 L CB -0.475 41.594 42.059 0.017 0.000 0.891 205 L HN 0.222 nan 8.230 nan 0.000 0.431 206 T N -0.728 113.812 114.554 -0.024 0.000 2.720 206 T HA -0.270 4.082 4.350 0.003 0.000 0.268 206 T C 1.794 176.464 174.700 -0.050 0.000 1.037 206 T CA 1.839 63.920 62.100 -0.031 0.000 1.144 206 T CB -0.278 68.575 68.868 -0.025 0.000 0.864 206 T HN 0.453 nan 8.240 nan 0.000 0.444 207 Q N 0.366 120.131 119.800 -0.058 0.000 2.061 207 Q HA -0.114 4.227 4.340 0.003 0.000 0.204 207 Q C 2.662 178.593 176.000 -0.114 0.000 0.984 207 Q CA 1.839 57.596 55.803 -0.076 0.000 0.846 207 Q CB -0.384 28.310 28.738 -0.075 0.000 0.902 207 Q HN 0.470 nan 8.270 nan 0.000 0.421 208 T N 1.036 115.502 114.554 -0.146 0.000 2.867 208 T HA -0.127 4.225 4.350 0.003 0.000 0.268 208 T C 1.674 176.271 174.700 -0.171 0.000 1.057 208 T CA 0.889 62.844 62.100 -0.242 0.000 1.136 208 T CB -0.177 68.516 68.868 -0.292 0.000 0.874 208 T HN 0.129 nan 8.240 nan 0.000 0.466 209 L N 0.738 121.900 121.223 -0.101 0.000 2.056 209 L HA 0.153 4.495 4.340 0.003 0.000 0.207 209 L C 2.103 178.933 176.870 -0.067 0.000 1.078 209 L CA 1.487 56.287 54.840 -0.067 0.000 0.749 209 L CB -0.559 41.479 42.059 -0.036 0.000 0.901 209 L HN 0.210 nan 8.230 nan 0.000 0.433 210 L N -0.620 120.562 121.223 -0.067 0.000 2.201 210 L HA -0.112 4.229 4.340 0.003 0.000 0.212 210 L C 2.410 179.241 176.870 -0.066 0.000 1.105 210 L CA 0.977 55.781 54.840 -0.060 0.000 0.775 210 L CB -0.613 41.413 42.059 -0.055 0.000 0.913 210 L HN 0.376 nan 8.230 nan 0.000 0.440 211 A N -0.156 122.613 122.820 -0.085 0.000 2.169 211 A HA 0.288 4.610 4.320 0.003 0.000 0.212 211 A C 1.289 178.825 177.584 -0.080 0.000 1.153 211 A CA 0.465 52.452 52.037 -0.084 0.000 0.756 211 A CB -0.396 18.537 19.000 -0.111 0.000 0.813 211 A HN 0.266 nan 8.150 nan 0.000 0.471 212 A N 0.070 122.836 122.820 -0.091 0.000 2.477 212 A HA 0.279 4.600 4.320 0.003 0.000 0.246 212 A C 1.074 178.574 177.584 -0.139 0.000 1.078 212 A CA 0.298 52.270 52.037 -0.108 0.000 0.770 212 A CB 0.217 19.144 19.000 -0.122 0.000 1.011 212 A HN 0.524 nan 8.150 nan 0.000 0.494 213 E N 1.513 121.605 120.200 -0.181 0.000 2.051 213 E HA -0.061 4.291 4.350 0.003 0.000 0.189 213 E C 0.308 176.645 176.600 -0.438 0.000 0.979 213 E CA 0.804 57.075 56.400 -0.215 0.000 0.803 213 E CB 0.091 29.680 29.700 -0.185 0.000 0.761 213 E HN 0.694 nan 8.360 nan 0.000 0.451 214 R N 1.184 121.248 120.500 -0.726 0.000 2.748 214 R HA 0.289 4.631 4.340 0.003 0.000 0.283 214 R C -2.489 173.182 176.300 -1.048 0.000 1.507 214 R CA -1.558 53.523 56.100 -1.699 0.000 1.666 214 R CB 1.558 30.781 30.300 -1.795 0.000 1.237 214 R HN 0.147 nan 8.270 nan 0.000 0.633 215 P HA 0.128 nan 4.420 nan 0.000 0.275 215 P C -0.610 176.801 177.300 0.184 0.000 1.227 215 P CA -0.029 63.013 63.100 -0.096 0.000 0.781 215 P CB 1.395 33.088 31.700 -0.012 0.000 0.906 216 L N 3.330 124.595 121.223 0.070 0.000 2.386 216 L HA 0.505 4.847 4.340 0.003 0.000 0.271 216 L C 0.234 177.124 176.870 0.034 0.000 0.993 216 L CA -0.963 53.935 54.840 0.098 0.000 0.819 216 L CB 2.051 44.121 42.059 0.019 0.000 1.294 216 L HN 0.241 nan 8.230 nan 0.000 0.414 217 I N 3.274 123.914 120.570 0.117 0.000 2.304 217 I HA 0.193 4.365 4.170 0.003 0.000 0.291 217 I C -1.098 175.178 176.117 0.264 0.000 1.018 217 I CA -0.355 61.038 61.300 0.156 0.000 1.260 217 I CB 0.769 38.885 38.000 0.193 0.000 1.390 217 I HN 0.402 nan 8.210 nan 0.000 0.475 218 Y N 9.756 130.053 120.300 -0.005 0.000 2.447 218 Y HA 0.408 4.961 4.550 0.005 0.000 0.325 218 Y C -1.132 174.831 175.900 0.105 0.000 0.976 218 Y CA -1.782 56.295 58.100 -0.039 0.000 1.280 218 Y CB 0.450 38.753 38.460 -0.262 0.000 1.104 218 Y HN 0.456 nan 8.280 nan 0.000 0.486 219 Y N 3.106 123.532 120.300 0.209 0.000 2.487 219 Y HA 0.977 5.528 4.550 0.002 0.000 0.337 219 Y C 0.098 176.051 175.900 0.088 0.000 1.076 219 Y CA -1.284 56.877 58.100 0.102 0.000 1.115 219 Y CB 1.228 39.760 38.460 0.119 0.000 1.235 219 Y HN 0.606 nan 8.280 nan 0.000 0.468 220 G N 0.777 109.656 108.800 0.132 0.000 3.107 220 G HA2 0.412 4.373 3.960 0.003 0.000 0.232 220 G HA3 0.412 4.373 3.960 0.003 0.000 0.232 220 G C -0.094 174.919 174.900 0.189 0.000 1.339 220 G CA -0.731 44.432 45.100 0.106 0.000 1.033 220 G HN 0.751 nan 8.290 nan 0.000 0.567 221 I N -0.186 120.471 120.570 0.144 0.000 2.916 221 I HA 0.133 4.304 4.170 0.003 0.000 0.267 221 I C 2.454 178.642 176.117 0.119 0.000 1.263 221 I CA 0.735 62.117 61.300 0.136 0.000 1.471 221 I CB -1.064 36.999 38.000 0.105 0.000 1.089 221 I HN 0.411 nan 8.210 nan 0.000 0.468 222 G N 0.918 109.785 108.800 0.111 0.000 2.479 222 G HA2 -0.094 3.868 3.960 0.003 0.000 0.220 222 G HA3 -0.094 3.868 3.960 0.003 0.000 0.220 222 G C 1.460 176.420 174.900 0.100 0.000 1.115 222 G CA 0.588 45.743 45.100 0.093 0.000 0.757 222 G HN 0.620 nan 8.290 nan 0.000 0.560 223 A N 0.671 123.577 122.820 0.143 0.000 2.476 223 A HA 0.331 4.653 4.320 0.003 0.000 0.263 223 A C 2.076 179.704 177.584 0.074 0.000 1.342 223 A CA 0.525 52.627 52.037 0.109 0.000 0.926 223 A CB -0.350 18.732 19.000 0.137 0.000 1.019 223 A HN 0.512 nan 8.150 nan 0.000 0.515 224 R N -0.161 120.389 120.500 0.084 0.000 2.115 224 R HA -0.026 4.316 4.340 0.003 0.000 0.230 224 R C 0.931 177.251 176.300 0.033 0.000 1.111 224 R CA 1.667 57.809 56.100 0.070 0.000 0.976 224 R CB -0.290 30.057 30.300 0.079 0.000 0.870 224 R HN 0.240 nan 8.270 nan 0.000 0.445 225 K N 0.150 120.564 120.400 0.023 0.000 2.437 225 K HA 0.203 4.524 4.320 0.003 0.000 0.198 225 K C 0.368 176.958 176.600 -0.016 0.000 1.024 225 K CA 0.428 56.719 56.287 0.007 0.000 1.148 225 K CB 1.070 33.578 32.500 0.013 0.000 0.860 225 K HN 0.329 nan 8.250 nan 0.000 0.515 226 A N -0.249 122.550 122.820 -0.036 0.000 2.610 226 A HA 0.274 4.595 4.320 0.003 0.000 0.291 226 A C 1.497 179.005 177.584 -0.127 0.000 1.116 226 A CA -0.129 51.867 52.037 -0.067 0.000 0.963 226 A CB 0.158 19.123 19.000 -0.057 0.000 1.220 226 A HN 0.305 nan 8.150 nan 0.000 0.530 227 G N 0.793 109.518 108.800 -0.125 0.000 2.422 227 G HA2 -0.210 3.752 3.960 0.003 0.000 0.218 227 G HA3 -0.210 3.752 3.960 0.003 0.000 0.218 227 G C 1.542 176.335 174.900 -0.177 0.000 1.146 227 G CA 1.170 46.164 45.100 -0.176 0.000 0.769 227 G HN 0.522 nan 8.290 nan 0.000 0.547 228 K N 0.164 120.488 120.400 -0.127 0.000 2.001 228 K HA -0.064 4.258 4.320 0.003 0.000 0.208 228 K C 2.534 179.059 176.600 -0.125 0.000 1.048 228 K CA 1.415 57.631 56.287 -0.119 0.000 0.932 228 K CB -0.131 32.321 32.500 -0.080 0.000 0.715 228 K HN 0.182 nan 8.250 nan 0.000 0.437 229 E N 1.204 121.341 120.200 -0.105 0.000 2.070 229 E HA -0.195 4.157 4.350 0.003 0.000 0.197 229 E C 1.965 178.494 176.600 -0.117 0.000 1.004 229 E CA 1.158 57.501 56.400 -0.094 0.000 0.805 229 E CB -0.309 29.348 29.700 -0.071 0.000 0.744 229 E HN 0.171 nan 8.360 nan 0.000 0.451 230 L N 0.519 121.641 121.223 -0.168 0.000 2.013 230 L HA -0.262 4.080 4.340 0.003 0.000 0.212 230 L C 2.603 179.363 176.870 -0.184 0.000 1.073 230 L CA 1.691 56.408 54.840 -0.205 0.000 0.753 230 L CB -0.344 41.470 42.059 -0.409 0.000 0.890 230 L HN 0.207 nan 8.230 nan 0.000 0.432 231 E N -0.461 119.584 120.200 -0.260 0.000 2.051 231 E HA -0.288 4.064 4.350 0.003 0.000 0.192 231 E C 2.225 178.698 176.600 -0.213 0.000 0.991 231 E CA 1.304 57.479 56.400 -0.375 0.000 0.799 231 E CB 0.011 29.423 29.700 -0.480 0.000 0.748 231 E HN 0.410 nan 8.360 nan 0.000 0.449 232 Q N 0.022 119.734 119.800 -0.146 0.000 2.062 232 Q HA -0.233 4.109 4.340 0.003 0.000 0.209 232 Q C 2.274 178.237 176.000 -0.060 0.000 0.996 232 Q CA 1.819 57.571 55.803 -0.086 0.000 0.859 232 Q CB -0.169 28.524 28.738 -0.076 0.000 0.920 232 Q HN 0.246 nan 8.270 nan 0.000 0.415 233 L N -0.209 120.981 121.223 -0.056 0.000 2.046 233 L HA -0.159 4.183 4.340 0.003 0.000 0.208 233 L C 2.324 179.186 176.870 -0.012 0.000 1.077 233 L CA 2.027 56.846 54.840 -0.035 0.000 0.747 233 L CB -0.888 41.155 42.059 -0.025 0.000 0.896 233 L HN 0.146 nan 8.230 nan 0.000 0.432 234 S N -1.049 114.673 115.700 0.038 0.000 2.368 234 S HA -0.229 4.243 4.470 0.003 0.000 0.225 234 S C 2.110 176.760 174.600 0.083 0.000 1.030 234 S CA 1.642 59.939 58.200 0.162 0.000 0.999 234 S CB -0.106 63.313 63.200 0.364 0.000 0.844 234 S HN 0.479 nan 8.310 nan 0.000 0.459 235 K N -0.206 120.248 120.400 0.089 0.000 2.031 235 K HA -0.004 4.318 4.320 0.003 0.000 0.205 235 K C 2.348 178.844 176.600 -0.173 0.000 1.049 235 K CA 1.684 57.987 56.287 0.027 0.000 0.939 235 K CB -0.461 32.097 32.500 0.098 0.000 0.717 235 K HN 0.305 nan 8.250 nan 0.000 0.438 236 T N 1.569 116.051 114.554 -0.119 0.000 2.674 236 T HA -0.080 4.272 4.350 0.003 0.000 0.265 236 T C 1.574 176.166 174.700 -0.179 0.000 1.039 236 T CA 1.065 63.088 62.100 -0.128 0.000 1.150 236 T CB -0.062 68.757 68.868 -0.081 0.000 0.864 236 T HN 0.105 nan 8.240 nan 0.000 0.427 237 L N 0.328 121.449 121.223 -0.170 0.000 2.591 237 L HA 0.149 4.490 4.340 0.003 0.000 0.228 237 L C 0.215 176.917 176.870 -0.280 0.000 1.133 237 L CA 0.130 54.870 54.840 -0.167 0.000 0.880 237 L CB -0.164 41.844 42.059 -0.084 0.000 1.033 237 L HN 0.208 nan 8.230 nan 0.000 0.450 238 K N 1.153 121.222 120.400 -0.551 0.000 3.244 238 K HA -0.156 4.165 4.320 0.003 0.000 0.270 238 K C -0.531 175.867 176.600 -0.336 0.000 1.016 238 K CA 0.832 56.428 56.287 -1.152 0.000 0.754 238 K CB -2.079 29.748 32.500 -1.120 0.000 1.326 238 K HN 0.352 nan 8.250 nan 0.000 0.465 239 I N 0.907 121.480 120.570 0.005 0.000 2.389 239 I HA 0.239 4.410 4.170 0.003 0.000 0.288 239 I C -2.118 174.286 176.117 0.478 0.000 0.999 239 I CA -2.551 58.935 61.300 0.311 0.000 1.129 239 I CB 1.861 39.970 38.000 0.181 0.000 1.288 239 I HN -0.153 nan 8.210 nan 0.000 0.444 240 P HA 0.194 nan 4.420 nan 0.000 0.269 240 P C -0.915 176.528 177.300 0.239 0.000 1.215 240 P CA -0.098 63.131 63.100 0.215 0.000 0.780 240 P CB 0.629 32.286 31.700 -0.072 0.000 0.898 241 L N 2.768 124.146 121.223 0.259 0.000 2.329 241 L HA 0.631 4.972 4.340 0.003 0.000 0.279 241 L C 0.269 177.288 176.870 0.248 0.000 1.014 241 L CA -0.627 54.448 54.840 0.392 0.000 0.814 241 L CB 1.120 43.550 42.059 0.619 0.000 1.257 241 L HN 0.398 nan 8.230 nan 0.000 0.424 242 M N 1.657 121.385 119.600 0.213 0.000 2.501 242 M HA 0.716 5.198 4.480 0.003 0.000 0.293 242 M C -0.803 175.476 176.300 -0.035 0.000 1.192 242 M CA -0.467 54.819 55.300 -0.024 0.000 0.886 242 M CB 2.409 34.849 32.600 -0.268 0.000 1.710 242 M HN 0.460 nan 8.290 nan 0.000 0.457 243 S N 0.317 115.972 115.700 -0.075 0.000 2.726 243 S HA 0.808 5.279 4.470 0.003 0.000 0.308 243 S C -0.052 174.669 174.600 0.200 0.000 1.115 243 S CA -0.219 57.835 58.200 -0.242 0.000 0.965 243 S CB 1.612 64.556 63.200 -0.428 0.000 1.145 243 S HN 0.926 nan 8.310 nan 0.000 0.532 244 T N -0.592 114.065 114.554 0.172 0.000 2.898 244 T HA 0.201 4.553 4.350 0.003 0.000 0.301 244 T C 0.894 175.749 174.700 0.258 0.000 1.049 244 T CA -0.231 62.032 62.100 0.272 0.000 1.095 244 T CB -0.035 68.948 68.868 0.193 0.000 0.976 244 T HN 0.719 nan 8.240 nan 0.000 0.539 245 Y N 3.449 123.856 120.300 0.178 0.000 2.038 245 Y HA -0.191 4.361 4.550 0.002 0.000 0.266 245 Y C -0.940 175.098 175.900 0.229 0.000 1.220 245 Y CA 2.515 60.722 58.100 0.179 0.000 1.107 245 Y CB -1.546 36.998 38.460 0.140 0.000 0.932 245 Y HN 0.550 nan 8.280 nan 0.000 0.500 246 P HA -0.008 nan 4.420 nan 0.000 0.229 246 P C 0.711 178.101 177.300 0.150 0.000 1.160 246 P CA 1.801 65.040 63.100 0.231 0.000 0.777 246 P CB -0.194 31.623 31.700 0.194 0.000 0.814 247 A N -0.617 122.308 122.820 0.175 0.000 2.238 247 A HA -0.017 4.304 4.320 0.003 0.000 0.208 247 A C 1.132 178.839 177.584 0.206 0.000 1.177 247 A CA -0.090 52.061 52.037 0.191 0.000 0.804 247 A CB -1.017 18.077 19.000 0.155 0.000 0.823 247 A HN 0.069 nan 8.150 nan 0.000 0.482 248 K N 0.041 120.553 120.400 0.188 0.000 2.489 248 K HA 0.224 4.546 4.320 0.003 0.000 0.278 248 K C 1.186 177.841 176.600 0.091 0.000 1.000 248 K CA 1.004 57.332 56.287 0.070 0.000 1.012 248 K CB -0.112 32.296 32.500 -0.153 0.000 0.903 248 K HN 0.714 nan 8.250 nan 0.000 0.485 249 G N 3.787 112.548 108.800 -0.065 0.000 2.199 249 G HA2 -0.277 3.684 3.960 0.003 0.000 0.254 249 G HA3 -0.277 3.684 3.960 0.003 0.000 0.254 249 G C 0.829 175.732 174.900 0.006 0.000 0.982 249 G CA 0.369 45.444 45.100 -0.042 0.000 0.632 249 G HN 0.667 nan 8.290 nan 0.000 0.529 250 I N 0.211 120.820 120.570 0.065 0.000 2.226 250 I HA -0.031 4.141 4.170 0.003 0.000 0.245 250 I C 1.151 177.241 176.117 -0.045 0.000 1.100 250 I CA 1.238 62.574 61.300 0.058 0.000 1.374 250 I CB -0.171 37.932 38.000 0.172 0.000 1.057 250 I HN 0.097 nan 8.210 nan 0.000 0.413 251 V N 1.579 121.443 119.914 -0.082 0.000 2.435 251 V HA 0.472 4.594 4.120 0.003 0.000 0.290 251 V C 0.414 176.390 176.094 -0.197 0.000 1.030 251 V CA -1.176 61.026 62.300 -0.163 0.000 0.881 251 V CB 1.307 33.025 31.823 -0.175 0.000 0.983 251 V HN 0.262 nan 8.190 nan 0.000 0.445 252 A N 3.011 125.755 122.820 -0.126 0.000 2.565 252 A HA 0.036 4.358 4.320 0.003 0.000 0.237 252 A C 1.171 178.690 177.584 -0.107 0.000 1.053 252 A CA 0.070 52.053 52.037 -0.090 0.000 0.755 252 A CB -0.085 18.896 19.000 -0.032 0.000 0.980 252 A HN 0.921 nan 8.150 nan 0.000 0.506 253 D N 1.493 121.824 120.400 -0.116 0.000 2.219 253 D HA -0.162 4.479 4.640 0.003 0.000 0.205 253 D C 2.060 178.404 176.300 0.073 0.000 0.970 253 D CA 1.578 55.548 54.000 -0.050 0.000 0.851 253 D CB -0.028 40.758 40.800 -0.023 0.000 0.943 253 D HN 0.833 nan 8.370 nan 0.000 0.488 254 R N 0.153 120.681 120.500 0.046 0.000 2.152 254 R HA -0.157 4.185 4.340 0.003 0.000 0.232 254 R C 1.014 177.376 176.300 0.104 0.000 1.117 254 R CA 0.189 56.322 56.100 0.054 0.000 0.981 254 R CB -0.953 29.367 30.300 0.034 0.000 0.870 254 R HN 0.025 nan 8.270 nan 0.000 0.451 255 Y N 3.898 124.203 120.300 0.008 0.000 2.887 255 Y HA -0.000 4.552 4.550 0.003 0.000 0.350 255 Y C -1.725 174.200 175.900 0.042 0.000 1.294 255 Y CA -2.276 55.844 58.100 0.032 0.000 1.622 255 Y CB 0.761 39.248 38.460 0.046 0.000 1.201 255 Y HN 0.016 nan 8.280 nan 0.000 0.546 256 P HA -0.067 nan 4.420 nan 0.000 0.225 256 P C 0.331 177.233 177.300 -0.664 0.000 1.148 256 P CA 1.941 64.766 63.100 -0.458 0.000 0.779 256 P CB 0.283 31.764 31.700 -0.365 0.000 0.780 257 A N -2.338 119.821 122.820 -1.103 0.000 2.423 257 A HA 0.097 4.418 4.320 0.003 0.000 0.246 257 A C 0.043 177.472 177.584 -0.259 0.000 1.278 257 A CA -0.301 51.270 52.037 -0.777 0.000 0.903 257 A CB -1.073 17.453 19.000 -0.790 0.000 0.997 257 A HN 0.064 nan 8.150 nan 0.000 0.510 258 Y N 1.167 121.338 120.300 -0.216 0.000 2.531 258 Y HA 0.333 4.884 4.550 0.002 0.000 0.347 258 Y C 0.745 176.612 175.900 -0.055 0.000 1.024 258 Y CA -0.752 57.380 58.100 0.054 0.000 1.306 258 Y CB 0.380 38.944 38.460 0.174 0.000 1.149 258 Y HN 0.198 nan 8.280 nan 0.000 0.527 259 L N 5.801 126.711 121.223 -0.521 0.000 2.492 259 L HA 0.235 4.577 4.340 0.003 0.000 0.223 259 L C 1.408 177.870 176.870 -0.680 0.000 1.132 259 L CA 0.564 55.087 54.840 -0.527 0.000 0.850 259 L CB -0.903 40.909 42.059 -0.411 0.000 0.966 259 L HN 1.003 nan 8.230 nan 0.000 0.454 260 G N 0.396 108.423 108.800 -1.289 0.000 2.482 260 G HA2 -0.208 3.753 3.960 0.003 0.000 0.214 260 G HA3 -0.208 3.753 3.960 0.003 0.000 0.214 260 G C -0.358 174.253 174.900 -0.481 0.000 1.271 260 G CA -0.241 44.360 45.100 -0.831 0.000 0.944 260 G HN 0.344 nan 8.290 nan 0.000 0.568 261 S N -0.249 115.350 115.700 -0.168 0.000 2.578 261 S HA 0.978 5.449 4.470 0.003 0.000 0.301 261 S C 0.425 174.996 174.600 -0.050 0.000 1.091 261 S CA 0.779 58.960 58.200 -0.031 0.000 1.032 261 S CB 1.897 65.179 63.200 0.137 0.000 1.064 261 S HN 2.430 nan 8.310 nan 0.000 0.508 262 A N 1.622 124.427 122.820 -0.025 0.000 3.444 262 A HA 0.698 5.020 4.320 0.003 0.000 0.189 262 A C 0.816 178.532 177.584 0.218 0.000 1.542 262 A CA -0.151 51.890 52.037 0.008 0.000 0.867 262 A CB -0.836 18.068 19.000 -0.160 0.000 1.712 262 A HN 1.290 nan 8.150 nan 0.000 0.556 263 N N -2.259 116.636 118.700 0.326 0.000 1.911 263 N HA -0.251 4.491 4.740 0.003 0.000 0.160 263 N C 0.285 175.910 175.510 0.191 0.000 0.585 263 N CA 1.817 55.067 53.050 0.334 0.000 1.293 263 N CB -0.546 38.123 38.487 0.304 0.000 1.355 263 N HN 0.674 nan 8.380 nan 0.000 0.425 264 R N -0.117 120.483 120.500 0.168 0.000 2.499 264 R HA 0.413 4.754 4.340 0.003 0.000 0.252 264 R C -1.536 174.860 176.300 0.159 0.000 1.309 264 R CA 0.589 56.782 56.100 0.154 0.000 1.425 264 R CB 0.593 30.983 30.300 0.149 0.000 1.392 264 R HN 0.414 nan 8.270 nan 0.000 0.766 265 A N 0.317 123.246 122.820 0.181 0.000 2.855 265 A HA 0.562 4.883 4.320 0.003 0.000 0.301 265 A C 0.243 177.955 177.584 0.215 0.000 1.076 265 A CA -0.172 51.996 52.037 0.217 0.000 1.004 265 A CB 0.442 19.617 19.000 0.292 0.000 1.152 265 A HN 0.344 nan 8.150 nan 0.000 0.531 266 A N 0.232 123.146 122.820 0.157 0.000 2.388 266 A HA 0.525 4.847 4.320 0.003 0.000 0.257 266 A C 0.335 177.934 177.584 0.026 0.000 1.095 266 A CA -0.091 51.995 52.037 0.082 0.000 0.791 266 A CB 0.201 19.227 19.000 0.042 0.000 1.029 266 A HN 0.640 nan 8.150 nan 0.000 0.489 267 Q N 0.781 120.544 119.800 -0.061 0.000 2.230 267 Q HA 0.169 4.511 4.340 0.003 0.000 0.248 267 Q C 0.884 176.546 176.000 -0.563 0.000 0.915 267 Q CA -0.581 55.102 55.803 -0.200 0.000 0.900 267 Q CB 1.689 30.369 28.738 -0.097 0.000 1.229 267 Q HN 0.877 nan 8.270 nan 0.000 0.439 268 K N 2.409 122.111 120.400 -1.163 0.000 2.032 268 K HA -0.156 4.166 4.320 0.003 0.000 0.209 268 K C -1.068 175.093 176.600 -0.731 0.000 1.048 268 K CA 1.589 57.271 56.287 -1.009 0.000 0.927 268 K CB -0.750 30.970 32.500 -1.300 0.000 0.712 268 K HN 0.336 nan 8.250 nan 0.000 0.441 269 P HA -0.135 nan 4.420 nan 0.000 0.214 269 P C 1.146 178.200 177.300 -0.410 0.000 1.163 269 P CA 2.086 64.880 63.100 -0.509 0.000 0.883 269 P CB -0.151 31.264 31.700 -0.475 0.000 0.788 270 A N -0.458 122.112 122.820 -0.417 0.000 1.892 270 A HA -0.311 4.010 4.320 0.003 0.000 0.218 270 A C 2.297 179.704 177.584 -0.295 0.000 1.188 270 A CA 2.609 54.433 52.037 -0.355 0.000 0.631 270 A CB -1.952 16.837 19.000 -0.351 0.000 0.822 270 A HN 0.208 nan 8.150 nan 0.000 0.447 271 N N -0.660 117.872 118.700 -0.280 0.000 2.171 271 N HA -0.120 4.622 4.740 0.003 0.000 0.184 271 N C 1.705 177.111 175.510 -0.172 0.000 1.021 271 N CA 1.662 54.590 53.050 -0.203 0.000 0.854 271 N CB -0.193 38.182 38.487 -0.187 0.000 0.994 271 N HN 0.639 nan 8.380 nan 0.000 0.426 272 E N -0.328 119.751 120.200 -0.201 0.000 2.106 272 E HA -0.081 4.270 4.350 0.003 0.000 0.192 272 E C 1.928 178.474 176.600 -0.090 0.000 0.984 272 E CA 0.960 57.275 56.400 -0.141 0.000 0.806 272 E CB -0.140 29.465 29.700 -0.157 0.000 0.750 272 E HN 0.473 nan 8.360 nan 0.000 0.458 273 A N 1.611 124.357 122.820 -0.125 0.000 1.902 273 A HA -0.148 4.174 4.320 0.003 0.000 0.217 273 A C 2.223 179.847 177.584 0.067 0.000 1.181 273 A CA 1.062 53.086 52.037 -0.022 0.000 0.623 273 A CB -0.686 18.218 19.000 -0.160 0.000 0.818 273 A HN 0.330 nan 8.150 nan 0.000 0.443 274 L N -1.016 120.161 121.223 -0.077 0.000 2.191 274 L HA -0.053 4.288 4.340 0.003 0.000 0.212 274 L C 2.313 179.136 176.870 -0.077 0.000 1.103 274 L CA 1.612 56.380 54.840 -0.120 0.000 0.769 274 L CB -0.225 41.697 42.059 -0.229 0.000 0.908 274 L HN 0.298 nan 8.230 nan 0.000 0.438 275 A N -1.106 121.688 122.820 -0.044 0.000 2.167 275 A HA -0.038 4.283 4.320 0.003 0.000 0.214 275 A C 1.976 179.550 177.584 -0.017 0.000 1.151 275 A CA 0.735 52.755 52.037 -0.029 0.000 0.735 275 A CB -0.140 18.846 19.000 -0.022 0.000 0.802 275 A HN 0.617 nan 8.150 nan 0.000 0.467 276 Q N -0.643 119.174 119.800 0.029 0.000 2.317 276 Q HA 0.309 4.651 4.340 0.003 0.000 0.220 276 Q C 0.749 176.655 176.000 -0.158 0.000 0.873 276 Q CA 0.587 56.406 55.803 0.027 0.000 0.936 276 Q CB -0.082 28.801 28.738 0.242 0.000 1.105 276 Q HN 0.549 nan 8.270 nan 0.000 0.520 277 A N 2.669 125.401 122.820 -0.146 0.000 2.462 277 A HA 0.097 4.418 4.320 0.003 0.000 0.243 277 A C 0.738 178.129 177.584 -0.321 0.000 1.076 277 A CA 0.170 52.023 52.037 -0.307 0.000 0.773 277 A CB 0.227 19.117 19.000 -0.182 0.000 1.010 277 A HN 0.217 nan 8.150 nan 0.000 0.493 278 D N 0.859 121.039 120.400 -0.366 0.000 2.338 278 D HA 0.074 4.716 4.640 0.003 0.000 0.208 278 D C 0.066 176.237 176.300 -0.215 0.000 0.997 278 D CA 0.477 54.321 54.000 -0.260 0.000 0.880 278 D CB -0.089 40.588 40.800 -0.206 0.000 0.980 278 D HN 0.182 nan 8.370 nan 0.000 0.509 279 V N 1.191 120.975 119.914 -0.217 0.000 2.588 279 V HA 0.416 4.537 4.120 0.003 0.000 0.304 279 V C -0.609 175.356 176.094 -0.215 0.000 1.042 279 V CA -0.956 61.251 62.300 -0.155 0.000 0.877 279 V CB 2.539 34.330 31.823 -0.053 0.000 0.996 279 V HN -0.046 nan 8.190 nan 0.000 0.425 280 V N 5.644 125.387 119.914 -0.286 0.000 2.444 280 V HA 0.451 4.573 4.120 0.003 0.000 0.294 280 V C -0.511 175.400 176.094 -0.306 0.000 1.022 280 V CA -0.606 61.471 62.300 -0.372 0.000 0.850 280 V CB 1.710 33.173 31.823 -0.600 0.000 0.992 280 V HN 0.680 nan 8.190 nan 0.000 0.426 281 L N 6.117 127.211 121.223 -0.216 0.000 2.259 281 L HA 0.583 4.925 4.340 0.003 0.000 0.288 281 L C -0.637 176.149 176.870 -0.140 0.000 1.051 281 L CA 0.174 54.967 54.840 -0.079 0.000 0.824 281 L CB 0.107 42.176 42.059 0.016 0.000 1.206 281 L HN 0.459 nan 8.230 nan 0.000 0.429 282 F N 5.214 125.252 119.950 0.148 0.000 2.466 282 F HA 0.333 4.861 4.527 0.002 0.000 0.363 282 F C 0.300 176.159 175.800 0.099 0.000 1.109 282 F CA -0.175 57.889 58.000 0.107 0.000 1.161 282 F CB 0.537 39.598 39.000 0.103 0.000 1.117 282 F HN 0.144 nan 8.300 nan 0.000 0.539 283 V N 2.752 122.805 119.914 0.231 0.000 2.384 283 V HA 0.525 4.647 4.120 0.003 0.000 0.287 283 V C 0.579 176.786 176.094 0.189 0.000 1.020 283 V CA -1.166 61.253 62.300 0.198 0.000 0.850 283 V CB 0.984 32.917 31.823 0.183 0.000 0.987 283 V HN 0.984 nan 8.190 nan 0.000 0.436 284 G N 3.835 112.720 108.800 0.143 0.000 2.395 284 G HA2 -0.286 3.675 3.960 0.003 0.000 0.292 284 G HA3 -0.286 3.675 3.960 0.003 0.000 0.292 284 G C 0.257 175.223 174.900 0.109 0.000 0.953 284 G CA 1.186 46.355 45.100 0.115 0.000 1.207 284 G HN 0.825 nan 8.290 nan 0.000 0.503 285 N N 0.580 119.340 118.700 0.100 0.000 2.669 285 N HA 0.095 4.836 4.740 0.003 0.000 0.156 285 N C 0.392 175.929 175.510 0.045 0.000 1.757 285 N CA 1.066 54.153 53.050 0.062 0.000 1.289 285 N CB -0.207 38.300 38.487 0.033 0.000 0.887 285 N HN 1.277 nan 8.380 nan 0.000 0.586 286 N N -0.164 118.556 118.700 0.033 0.000 2.846 286 N HA -0.230 4.512 4.740 0.003 0.000 0.262 286 N C -0.810 174.699 175.510 -0.001 0.000 1.137 286 N CA 0.304 53.309 53.050 -0.075 0.000 0.666 286 N CB -2.142 36.316 38.487 -0.049 0.000 0.945 286 N HN 0.407 nan 8.380 nan 0.000 0.567 298 N N 1.870 120.538 118.700 -0.053 0.000 2.230 298 N HA 0.073 4.815 4.740 0.003 0.000 0.202 298 N C -0.511 174.909 175.510 -0.150 0.000 1.119 298 N CA 0.234 53.231 53.050 -0.089 0.000 0.851 298 N CB 0.940 39.373 38.487 -0.089 0.000 0.990 298 N HN 0.151 nan 8.380 nan 0.000 0.497 299 T N 1.466 115.910 114.554 -0.184 0.000 2.782 299 T HA 0.232 4.584 4.350 0.003 0.000 0.298 299 T C 1.382 175.923 174.700 -0.266 0.000 0.944 299 T CA -0.307 61.599 62.100 -0.323 0.000 1.001 299 T CB 1.019 69.522 68.868 -0.609 0.000 0.932 299 T HN 0.097 nan 8.240 nan 0.000 0.524 300 R N 2.453 122.786 120.500 -0.277 0.000 2.062 300 R HA 0.033 4.375 4.340 0.003 0.000 0.229 300 R C -0.196 175.754 176.300 -0.584 0.000 1.128 300 R CA 1.095 56.942 56.100 -0.422 0.000 0.960 300 R CB 0.101 30.128 30.300 -0.456 0.000 0.855 300 R HN 0.528 nan 8.270 nan 0.000 0.432 301 Y N -0.711 119.532 120.300 -0.095 0.000 2.409 301 Y HA 0.352 4.903 4.550 0.002 0.000 0.343 301 Y C -0.655 175.182 175.900 -0.105 0.000 0.973 301 Y CA -1.276 56.829 58.100 0.009 0.000 1.064 301 Y CB 1.319 39.782 38.460 0.005 0.000 1.207 301 Y HN -0.205 nan 8.280 nan 0.000 0.452 302 F N 3.666 123.755 119.950 0.232 0.000 2.427 302 F HA 0.609 5.138 4.527 0.002 0.000 0.346 302 F C -0.438 175.524 175.800 0.270 0.000 1.120 302 F CA -0.840 57.333 58.000 0.288 0.000 1.033 302 F CB 0.893 40.066 39.000 0.289 0.000 1.126 302 F HN 0.174 nan 8.300 nan 0.000 0.462 303 L N 3.065 124.528 121.223 0.401 0.000 2.342 303 L HA 0.673 5.014 4.340 0.003 0.000 0.271 303 L C -0.757 176.328 176.870 0.359 0.000 1.008 303 L CA -0.846 54.165 54.840 0.286 0.000 0.818 303 L CB 2.266 44.413 42.059 0.148 0.000 1.296 303 L HN 0.559 nan 8.230 nan 0.000 0.427 304 Q N 2.665 122.621 119.800 0.260 0.000 2.280 304 Q HA 0.533 4.875 4.340 0.003 0.000 0.259 304 Q C -1.812 174.284 176.000 0.160 0.000 0.964 304 Q CA -0.379 55.578 55.803 0.257 0.000 0.844 304 Q CB 2.466 31.342 28.738 0.231 0.000 1.334 304 Q HN 0.598 nan 8.270 nan 0.000 0.423 305 I N 3.287 123.948 120.570 0.152 0.000 2.355 305 I HA 0.474 4.645 4.170 0.003 0.000 0.288 305 I C -0.689 175.484 176.117 0.095 0.000 0.999 305 I CA -0.435 60.927 61.300 0.103 0.000 1.163 305 I CB 1.427 39.480 38.000 0.088 0.000 1.316 305 I HN 0.509 nan 8.210 nan 0.000 0.454 306 D N 4.633 125.074 120.400 0.069 0.000 2.661 306 D HA 0.275 4.917 4.640 0.003 0.000 0.228 306 D C 0.127 176.449 176.300 0.035 0.000 1.210 306 D CA -0.500 53.531 54.000 0.053 0.000 0.826 306 D CB 3.052 43.879 40.800 0.045 0.000 1.542 306 D HN 0.384 nan 8.370 nan 0.000 0.447 307 I N 1.354 121.940 120.570 0.028 0.000 3.251 307 I HA -0.031 4.141 4.170 0.003 0.000 0.277 307 I C 0.074 176.196 176.117 0.008 0.000 1.268 307 I CA 0.668 61.978 61.300 0.017 0.000 1.449 307 I CB 0.236 38.246 38.000 0.016 0.000 1.083 307 I HN 0.219 nan 8.210 nan 0.000 0.464 308 D N -0.615 119.787 120.400 0.005 0.000 2.425 308 D HA 0.260 4.901 4.640 0.003 0.000 0.240 308 D C -1.919 174.379 176.300 -0.003 0.000 1.080 308 D CA -2.571 51.425 54.000 -0.006 0.000 0.836 308 D CB 1.836 42.623 40.800 -0.020 0.000 1.125 308 D HN -0.140 nan 8.370 nan 0.000 0.525 309 P HA -0.089 nan 4.420 nan 0.000 0.218 309 P C 1.026 178.323 177.300 -0.005 0.000 1.148 309 P CA 1.186 64.286 63.100 0.000 0.000 0.822 309 P CB 0.198 31.898 31.700 -0.000 0.000 0.784 310 A N -0.137 122.677 122.820 -0.011 0.000 2.070 310 A HA -0.181 4.141 4.320 0.003 0.000 0.220 310 A C 1.890 179.463 177.584 -0.018 0.000 1.159 310 A CA 1.456 53.485 52.037 -0.014 0.000 0.656 310 A CB -0.760 18.229 19.000 -0.018 0.000 0.800 310 A HN 0.094 nan 8.150 nan 0.000 0.453 311 K N -0.374 120.015 120.400 -0.018 0.000 2.426 311 K HA 0.211 4.533 4.320 0.003 0.000 0.193 311 K C 0.109 176.697 176.600 -0.020 0.000 1.028 311 K CA 0.092 56.366 56.287 -0.022 0.000 1.047 311 K CB -0.116 32.373 32.500 -0.017 0.000 0.821 311 K HN 0.460 nan 8.250 nan 0.000 0.513 312 L N 1.486 122.704 121.223 -0.008 0.000 2.415 312 L HA 0.135 4.477 4.340 0.003 0.000 0.269 312 L C 0.679 177.544 176.870 -0.009 0.000 1.244 312 L CA -0.026 54.815 54.840 0.002 0.000 1.113 312 L CB -0.332 41.737 42.059 0.017 0.000 1.352 312 L HN 0.384 nan 8.230 nan 0.000 0.433 313 G N 1.566 110.346 108.800 -0.033 0.000 2.200 313 G HA2 -0.208 3.754 3.960 0.003 0.000 0.145 313 G HA3 -0.208 3.754 3.960 0.003 0.000 0.145 313 G C 0.684 175.527 174.900 -0.095 0.000 1.021 313 G CA -0.269 44.795 45.100 -0.060 0.000 0.720 313 G HN 0.543 nan 8.290 nan 0.000 0.494 314 K N 0.190 120.534 120.400 -0.092 0.000 2.611 314 K HA 0.140 4.462 4.320 0.003 0.000 0.193 314 K C 1.986 178.531 176.600 -0.093 0.000 1.026 314 K CA 0.432 56.670 56.287 -0.080 0.000 1.063 314 K CB -0.130 32.333 32.500 -0.061 0.000 0.839 314 K HN 0.328 nan 8.250 nan 0.000 0.505 315 R N -1.406 119.018 120.500 -0.126 0.000 3.609 315 R HA 0.161 4.502 4.340 0.003 0.000 0.149 315 R C -0.060 176.176 176.300 -0.107 0.000 0.948 315 R CA 0.078 56.120 56.100 -0.096 0.000 1.014 315 R CB 0.522 30.746 30.300 -0.127 0.000 1.404 315 R HN 0.112 nan 8.270 nan 0.000 0.493 316 H N 1.254 120.122 119.070 -0.338 0.000 3.128 316 H HA 0.163 4.720 4.556 0.002 0.000 0.336 316 H C -0.976 173.800 175.328 -0.920 0.000 1.026 316 H CA -0.848 54.879 56.048 -0.535 0.000 1.376 316 H CB 1.542 31.006 29.762 -0.496 0.000 1.882 316 H HN -0.217 nan 8.280 nan 0.000 0.479 317 K N 2.832 122.998 120.400 -0.390 0.000 2.434 317 K HA -0.051 4.271 4.320 0.003 0.000 0.266 317 K C -0.748 175.650 176.600 -0.338 0.000 1.096 317 K CA 0.823 56.945 56.287 -0.274 0.000 1.182 317 K CB -0.485 31.949 32.500 -0.110 0.000 0.813 317 K HN 0.607 nan 8.250 nan 0.000 0.490 318 T N 4.725 119.193 114.554 -0.143 0.000 2.829 318 T HA 0.251 4.602 4.350 0.003 0.000 0.280 318 T C 0.278 175.063 174.700 0.141 0.000 0.999 318 T CA -0.797 61.334 62.100 0.052 0.000 0.983 318 T CB 1.201 70.096 68.868 0.046 0.000 0.968 318 T HN 0.418 nan 8.240 nan 0.000 0.446 319 D N 1.608 122.159 120.400 0.251 0.000 2.369 319 D HA 0.200 4.842 4.640 0.003 0.000 0.231 319 D C 0.242 176.645 176.300 0.172 0.000 0.967 319 D CA 0.473 54.609 54.000 0.226 0.000 0.905 319 D CB 0.326 41.336 40.800 0.350 0.000 1.044 319 D HN 0.398 nan 8.370 nan 0.000 0.487 320 I N 0.528 121.203 120.570 0.176 0.000 2.466 320 I HA 0.578 4.749 4.170 0.003 0.000 0.289 320 I C -1.081 175.110 176.117 0.123 0.000 1.026 320 I CA -0.976 60.396 61.300 0.119 0.000 1.078 320 I CB 2.340 40.390 38.000 0.083 0.000 1.249 320 I HN -0.106 nan 8.210 nan 0.000 0.429 321 A N 6.091 128.967 122.820 0.092 0.000 2.357 321 A HA 0.760 5.081 4.320 0.003 0.000 0.295 321 A C -1.025 176.597 177.584 0.065 0.000 1.121 321 A CA -0.521 51.569 52.037 0.088 0.000 0.742 321 A CB 1.229 20.273 19.000 0.072 0.000 1.181 321 A HN 0.412 nan 8.150 nan 0.000 0.454 322 V N 3.625 123.579 119.914 0.066 0.000 2.350 322 V HA 0.258 4.380 4.120 0.003 0.000 0.276 322 V C -0.212 175.908 176.094 0.044 0.000 1.028 322 V CA -0.403 61.927 62.300 0.049 0.000 0.860 322 V CB 1.261 33.112 31.823 0.047 0.000 0.990 322 V HN 0.791 nan 8.190 nan 0.000 0.453 323 L N 6.378 127.620 121.223 0.033 0.000 2.363 323 L HA 0.729 5.071 4.340 0.003 0.000 0.286 323 L C 0.206 177.090 176.870 0.023 0.000 1.106 323 L CA 0.768 55.623 54.840 0.026 0.000 0.859 323 L CB -0.217 41.853 42.059 0.019 0.000 1.223 323 L HN 0.855 nan 8.230 nan 0.000 0.446 324 A N 3.314 126.149 122.820 0.026 0.000 2.549 324 A HA 0.357 4.679 4.320 0.003 0.000 0.291 324 A C -1.348 176.251 177.584 0.025 0.000 1.034 324 A CA -0.820 51.230 52.037 0.022 0.000 0.655 324 A CB 0.231 19.243 19.000 0.021 0.000 1.299 324 A HN 0.526 nan 8.150 nan 0.000 0.427 325 D N 0.903 121.315 120.400 0.020 0.000 2.488 325 D HA 0.432 5.073 4.640 0.003 0.000 0.238 325 D C 1.365 177.679 176.300 0.024 0.000 1.138 325 D CA 1.068 55.081 54.000 0.021 0.000 0.873 325 D CB 1.263 42.072 40.800 0.014 0.000 1.183 325 D HN 0.899 nan 8.370 nan 0.000 0.458 326 A N 3.861 126.699 122.820 0.030 0.000 1.851 326 A HA -0.247 4.075 4.320 0.003 0.000 0.216 326 A C 1.994 179.585 177.584 0.012 0.000 1.195 326 A CA 1.575 53.631 52.037 0.031 0.000 0.622 326 A CB -0.746 18.280 19.000 0.043 0.000 0.831 326 A HN 0.797 nan 8.150 nan 0.000 0.444 327 Q N -0.341 119.462 119.800 0.004 0.000 2.030 327 Q HA -0.225 4.117 4.340 0.003 0.000 0.204 327 Q C 2.129 178.125 176.000 -0.007 0.000 0.986 327 Q CA 2.094 57.892 55.803 -0.008 0.000 0.843 327 Q CB -0.200 28.532 28.738 -0.009 0.000 0.904 327 Q HN 0.691 nan 8.270 nan 0.000 0.420 328 K N -0.753 119.646 120.400 -0.001 0.000 2.152 328 K HA -0.113 4.209 4.320 0.003 0.000 0.206 328 K C 2.059 178.659 176.600 0.000 0.000 1.048 328 K CA 1.664 57.950 56.287 -0.001 0.000 0.933 328 K CB -0.048 32.454 32.500 0.002 0.000 0.721 328 K HN 0.221 nan 8.250 nan 0.000 0.447 329 T N 1.588 116.146 114.554 0.006 0.000 2.857 329 T HA -0.017 4.334 4.350 0.003 0.000 0.266 329 T C 1.796 176.498 174.700 0.003 0.000 1.048 329 T CA 0.828 62.933 62.100 0.009 0.000 1.139 329 T CB -0.028 68.853 68.868 0.021 0.000 0.874 329 T HN 0.107 nan 8.240 nan 0.000 0.455 330 L N 0.720 121.942 121.223 -0.002 0.000 2.156 330 L HA 0.092 4.433 4.340 0.003 0.000 0.208 330 L C 3.000 179.859 176.870 -0.018 0.000 1.095 330 L CA 0.748 55.581 54.840 -0.011 0.000 0.770 330 L CB -0.626 41.419 42.059 -0.023 0.000 0.914 330 L HN 0.216 nan 8.230 nan 0.000 0.439 331 A N 0.415 123.224 122.820 -0.017 0.000 1.930 331 A HA -0.129 4.193 4.320 0.003 0.000 0.217 331 A C 2.570 180.145 177.584 -0.015 0.000 1.175 331 A CA 1.618 53.643 52.037 -0.019 0.000 0.627 331 A CB -0.576 18.414 19.000 -0.017 0.000 0.815 331 A HN 0.368 nan 8.150 nan 0.000 0.443 332 A N 0.092 122.906 122.820 -0.010 0.000 1.902 332 A HA -0.088 4.234 4.320 0.003 0.000 0.217 332 A C 2.109 179.687 177.584 -0.011 0.000 1.181 332 A CA 1.516 53.548 52.037 -0.008 0.000 0.623 332 A CB -0.607 18.391 19.000 -0.004 0.000 0.818 332 A HN 0.505 nan 8.150 nan 0.000 0.443 333 I N -0.832 119.732 120.570 -0.010 0.000 2.226 333 I HA -0.220 3.951 4.170 0.003 0.000 0.245 333 I C 2.279 178.384 176.117 -0.019 0.000 1.100 333 I CA 0.800 62.092 61.300 -0.013 0.000 1.374 333 I CB -0.344 37.650 38.000 -0.011 0.000 1.057 333 I HN 0.218 nan 8.210 nan 0.000 0.413 334 L N 0.994 122.204 121.223 -0.022 0.000 2.083 334 L HA -0.143 4.199 4.340 0.003 0.000 0.209 334 L C 2.604 179.459 176.870 -0.025 0.000 1.083 334 L CA 1.994 56.818 54.840 -0.027 0.000 0.752 334 L CB -1.345 40.696 42.059 -0.029 0.000 0.899 334 L HN 0.207 nan 8.230 nan 0.000 0.433 335 A N -0.919 121.889 122.820 -0.020 0.000 2.216 335 A HA -0.150 4.172 4.320 0.003 0.000 0.214 335 A C 1.729 179.302 177.584 -0.018 0.000 1.160 335 A CA 1.269 53.295 52.037 -0.018 0.000 0.725 335 A CB -0.433 18.558 19.000 -0.015 0.000 0.784 335 A HN 0.703 nan 8.150 nan 0.000 0.472 336 Q N -0.672 119.116 119.800 -0.020 0.000 2.086 336 Q HA 0.388 4.729 4.340 0.003 0.000 0.220 336 Q C -0.203 175.783 176.000 -0.024 0.000 0.792 336 Q CA 0.196 55.987 55.803 -0.020 0.000 1.062 336 Q CB -0.118 28.610 28.738 -0.018 0.000 1.198 336 Q HN 0.484 nan 8.270 nan 0.000 0.466 337 V N -1.769 118.129 119.914 -0.027 0.000 3.155 337 V HA 0.947 5.069 4.120 0.003 0.000 0.313 337 V C -0.560 175.513 176.094 -0.035 0.000 1.162 337 V CA -0.323 61.957 62.300 -0.033 0.000 1.048 337 V CB 1.783 33.584 31.823 -0.037 0.000 1.092 337 V HN 0.331 nan 8.190 nan 0.000 0.447 338 S N -0.948 114.727 115.700 -0.041 0.000 2.596 338 S HA 0.514 4.986 4.470 0.003 0.000 0.270 338 S C -0.840 173.727 174.600 -0.055 0.000 1.155 338 S CA -0.851 57.323 58.200 -0.043 0.000 0.827 338 S CB 1.474 64.653 63.200 -0.035 0.000 1.130 338 S HN 0.907 nan 8.310 nan 0.000 0.467 339 E N 1.522 121.686 120.200 -0.059 0.000 2.900 339 E HA -0.066 4.286 4.350 0.003 0.000 0.259 339 E C 0.011 176.563 176.600 -0.081 0.000 0.918 339 E CA 0.779 57.133 56.400 -0.077 0.000 0.960 339 E CB 0.239 29.901 29.700 -0.064 0.000 0.908 339 E HN 0.413 nan 8.360 nan 0.000 0.511 340 R N 2.757 123.191 120.500 -0.111 0.000 2.643 340 R HA 0.286 4.628 4.340 0.003 0.000 0.272 340 R C 0.293 176.516 176.300 -0.127 0.000 0.995 340 R CA -0.763 55.274 56.100 -0.106 0.000 1.032 340 R CB 1.000 31.233 30.300 -0.112 0.000 1.126 340 R HN 0.439 nan 8.270 nan 0.000 0.505 341 E N 0.744 120.890 120.200 -0.091 0.000 2.408 341 E HA 0.004 4.356 4.350 0.003 0.000 0.259 341 E C -0.096 176.431 176.600 -0.122 0.000 1.110 341 E CA -0.151 56.202 56.400 -0.079 0.000 0.929 341 E CB 0.627 30.308 29.700 -0.033 0.000 0.971 341 E HN 0.362 nan 8.360 nan 0.000 0.438 342 S N 0.801 116.438 115.700 -0.105 0.000 2.554 342 S HA 0.001 4.472 4.470 0.003 0.000 0.290 342 S C -0.084 174.525 174.600 0.014 0.000 1.309 342 S CA 0.287 58.442 58.200 -0.074 0.000 1.047 342 S CB 0.127 63.387 63.200 0.100 0.000 0.828 342 S HN 0.555 nan 8.310 nan 0.000 0.509 343 T N 1.930 116.535 114.554 0.085 0.000 2.888 343 T HA 0.618 4.970 4.350 0.003 0.000 0.288 343 T C -2.390 172.397 174.700 0.145 0.000 1.063 343 T CA -1.604 60.567 62.100 0.118 0.000 1.010 343 T CB 1.161 70.110 68.868 0.135 0.000 1.214 343 T HN 0.337 nan 8.240 nan 0.000 0.533 344 P HA 0.003 nan 4.420 nan 0.000 0.215 344 P C 1.445 178.815 177.300 0.116 0.000 1.157 344 P CA 0.538 63.722 63.100 0.141 0.000 0.859 344 P CB -0.076 31.756 31.700 0.221 0.000 0.786 345 W N -0.022 121.289 121.300 0.019 0.000 2.304 345 W HA -0.232 4.429 4.660 0.002 0.000 0.315 345 W C 1.977 178.502 176.519 0.009 0.000 1.233 345 W CA 1.249 58.601 57.345 0.011 0.000 1.261 345 W CB -1.041 28.438 29.460 0.032 0.000 1.150 345 W HN 0.069 nan 8.180 nan 0.000 0.494 346 W N 1.346 122.573 121.300 -0.122 0.000 2.335 346 W HA -0.269 4.392 4.660 0.003 0.000 0.311 346 W C 2.198 178.471 176.519 -0.410 0.000 1.213 346 W CA 1.730 58.914 57.345 -0.269 0.000 1.274 346 W CB -0.434 28.946 29.460 -0.132 0.000 1.148 346 W HN 0.030 nan 8.180 nan 0.000 0.498 347 Q N -0.019 119.521 119.800 -0.434 0.000 2.187 347 Q HA -0.072 4.269 4.340 0.003 0.000 0.199 347 Q C 2.371 177.761 176.000 -1.018 0.000 0.957 347 Q CA 1.448 56.729 55.803 -0.870 0.000 0.857 347 Q CB -0.831 27.218 28.738 -1.149 0.000 0.929 347 Q HN 0.364 nan 8.270 nan 0.000 0.453 348 A N 1.792 124.151 122.820 -0.769 0.000 1.902 348 A HA -0.183 4.139 4.320 0.003 0.000 0.217 348 A C 1.926 179.255 177.584 -0.426 0.000 1.181 348 A CA 1.407 53.256 52.037 -0.312 0.000 0.623 348 A CB -0.403 18.568 19.000 -0.048 0.000 0.818 348 A HN 0.293 nan 8.150 nan 0.000 0.443 349 N N 0.034 118.366 118.700 -0.612 0.000 2.142 349 N HA -0.063 4.679 4.740 0.003 0.000 0.186 349 N C 1.758 176.879 175.510 -0.648 0.000 1.023 349 N CA 1.267 53.917 53.050 -0.667 0.000 0.852 349 N CB -0.400 37.584 38.487 -0.838 0.000 0.998 349 N HN 0.473 nan 8.380 nan 0.000 0.424 350 L N 0.996 121.766 121.223 -0.755 0.000 2.042 350 L HA -0.182 4.160 4.340 0.003 0.000 0.210 350 L C 2.451 178.993 176.870 -0.547 0.000 1.076 350 L CA 1.296 55.715 54.840 -0.701 0.000 0.749 350 L CB -0.428 41.155 42.059 -0.793 0.000 0.893 350 L HN 0.132 nan 8.230 nan 0.000 0.432 351 A N -0.354 122.115 122.820 -0.585 0.000 1.929 351 A HA -0.211 4.111 4.320 0.003 0.000 0.216 351 A C 2.068 179.061 177.584 -0.986 0.000 1.176 351 A CA 1.818 53.440 52.037 -0.691 0.000 0.628 351 A CB -0.569 18.054 19.000 -0.629 0.000 0.816 351 A HN 0.413 nan 8.150 nan 0.000 0.444 352 N N 0.273 118.439 118.700 -0.890 0.000 2.058 352 N HA -0.135 4.607 4.740 0.003 0.000 0.191 352 N C 1.625 176.970 175.510 -0.277 0.000 1.037 352 N CA 1.773 54.517 53.050 -0.510 0.000 0.848 352 N CB -0.488 37.819 38.487 -0.300 0.000 1.021 352 N HN 0.150 nan 8.380 nan 0.000 0.422 353 V N 1.073 120.803 119.914 -0.307 0.000 2.252 353 V HA -0.269 3.853 4.120 0.003 0.000 0.249 353 V C 2.417 178.451 176.094 -0.100 0.000 1.056 353 V CA 1.983 64.177 62.300 -0.177 0.000 1.022 353 V CB -0.589 31.076 31.823 -0.264 0.000 0.641 353 V HN 0.418 nan 8.190 nan 0.000 0.445 354 K N 0.348 120.631 120.400 -0.195 0.000 2.044 354 K HA -0.269 4.053 4.320 0.003 0.000 0.210 354 K C 2.139 178.700 176.600 -0.065 0.000 1.049 354 K CA 2.230 58.432 56.287 -0.142 0.000 0.927 354 K CB -0.420 31.970 32.500 -0.183 0.000 0.713 354 K HN 0.581 nan 8.250 nan 0.000 0.443 355 N N 0.003 118.663 118.700 -0.068 0.000 2.007 355 N HA -0.260 4.481 4.740 0.003 0.000 0.197 355 N C 1.793 177.397 175.510 0.156 0.000 1.050 355 N CA 1.797 54.890 53.050 0.072 0.000 0.856 355 N CB -0.445 38.139 38.487 0.162 0.000 1.050 355 N HN 0.477 nan 8.380 nan 0.000 0.423 356 W N 1.902 123.182 121.300 -0.034 0.000 2.290 356 W HA -0.257 4.405 4.660 0.003 0.000 0.323 356 W C 2.134 178.668 176.519 0.025 0.000 1.260 356 W CA 1.359 58.706 57.345 0.003 0.000 1.266 356 W CB -0.289 29.130 29.460 -0.068 0.000 1.149 356 W HN 0.213 nan 8.180 nan 0.000 0.482 357 R N -0.150 120.336 120.500 -0.022 0.000 2.152 357 R HA -0.117 4.224 4.340 0.003 0.000 0.232 357 R C 2.340 178.536 176.300 -0.174 0.000 1.117 357 R CA 1.346 57.341 56.100 -0.175 0.000 0.981 357 R CB -0.561 29.684 30.300 -0.091 0.000 0.870 357 R HN 0.188 nan 8.270 nan 0.000 0.451 358 A N -0.042 122.730 122.820 -0.081 0.000 1.943 358 A HA -0.124 4.197 4.320 0.003 0.000 0.213 358 A C 1.826 179.367 177.584 -0.072 0.000 1.181 358 A CA 0.383 52.381 52.037 -0.066 0.000 0.653 358 A CB -0.477 18.514 19.000 -0.015 0.000 0.833 358 A HN 0.392 nan 8.150 nan 0.000 0.451 359 Y N 1.113 121.311 120.300 -0.170 0.000 2.114 359 Y HA -0.240 4.312 4.550 0.003 0.000 0.282 359 Y C 1.835 177.527 175.900 -0.346 0.000 1.165 359 Y CA 2.097 60.066 58.100 -0.217 0.000 1.148 359 Y CB -0.396 37.950 38.460 -0.189 0.000 0.972 359 Y HN 0.216 nan 8.280 nan 0.000 0.504 360 L N -0.322 120.500 121.223 -0.668 0.000 2.093 360 L HA -0.155 4.186 4.340 0.003 0.000 0.208 360 L C 2.780 179.392 176.870 -0.431 0.000 1.085 360 L CA 1.062 55.456 54.840 -0.743 0.000 0.755 360 L CB -0.990 40.582 42.059 -0.812 0.000 0.904 360 L HN 0.341 nan 8.230 nan 0.000 0.435 361 A N 0.002 122.638 122.820 -0.307 0.000 1.969 361 A HA -0.189 4.132 4.320 0.003 0.000 0.218 361 A C 2.544 180.016 177.584 -0.186 0.000 1.169 361 A CA 1.696 53.618 52.037 -0.191 0.000 0.635 361 A CB -0.562 18.354 19.000 -0.140 0.000 0.810 361 A HN 0.493 nan 8.150 nan 0.000 0.445 362 S N -0.089 115.473 115.700 -0.230 0.000 2.402 362 S HA -0.079 4.393 4.470 0.003 0.000 0.229 362 S C 1.870 176.336 174.600 -0.223 0.000 1.021 362 S CA 1.363 59.449 58.200 -0.191 0.000 0.974 362 S CB -0.596 62.507 63.200 -0.161 0.000 0.800 362 S HN 0.462 nan 8.310 nan 0.000 0.484 363 L N 0.959 121.964 121.223 -0.362 0.000 2.044 363 L HA 0.037 4.378 4.340 0.003 0.000 0.205 363 L C 2.858 179.644 176.870 -0.140 0.000 1.075 363 L CA 1.527 56.163 54.840 -0.341 0.000 0.747 363 L CB -0.615 40.982 42.059 -0.771 0.000 0.903 363 L HN 0.352 nan 8.230 nan 0.000 0.435 364 E N 0.068 120.195 120.200 -0.121 0.000 2.204 364 E HA -0.200 4.151 4.350 0.003 0.000 0.195 364 E C 1.154 177.714 176.600 -0.067 0.000 0.990 364 E CA 1.056 57.419 56.400 -0.062 0.000 0.821 364 E CB -0.037 29.640 29.700 -0.039 0.000 0.750 364 E HN 0.433 nan 8.360 nan 0.000 0.477 365 D N 0.543 120.896 120.400 -0.078 0.000 2.349 365 D HA 0.028 4.670 4.640 0.003 0.000 0.215 365 D C 0.043 176.312 176.300 -0.051 0.000 1.016 365 D CA 0.253 54.214 54.000 -0.065 0.000 0.870 365 D CB 0.143 40.904 40.800 -0.066 0.000 0.917 365 D HN -0.009 nan 8.370 nan 0.000 0.524 366 K N 0.934 121.305 120.400 -0.047 0.000 2.586 366 K HA -0.076 4.246 4.320 0.003 0.000 0.280 366 K C 1.162 177.745 176.600 -0.030 0.000 0.972 366 K CA 0.600 56.869 56.287 -0.031 0.000 1.040 366 K CB 0.691 33.181 32.500 -0.016 0.000 0.870 366 K HN 0.112 nan 8.250 nan 0.000 0.497 367 Q N 1.534 121.320 119.800 -0.024 0.000 2.391 367 Q HA 0.084 4.425 4.340 0.003 0.000 0.243 367 Q C -0.201 175.788 176.000 -0.018 0.000 0.874 367 Q CA 0.725 56.515 55.803 -0.023 0.000 0.950 367 Q CB 1.067 29.793 28.738 -0.020 0.000 1.103 367 Q HN 0.592 nan 8.270 nan 0.000 0.544 368 E N -0.925 119.267 120.200 -0.014 0.000 2.372 368 E HA 0.545 4.897 4.350 0.003 0.000 0.279 368 E C -0.701 175.893 176.600 -0.009 0.000 0.946 368 E CA -0.251 56.143 56.400 -0.011 0.000 0.769 368 E CB 2.464 32.159 29.700 -0.008 0.000 1.230 368 E HN 0.184 nan 8.360 nan 0.000 0.442 369 G N 1.686 110.481 108.800 -0.008 0.000 2.362 369 G HA2 -0.095 3.867 3.960 0.003 0.000 0.517 369 G HA3 -0.095 3.867 3.960 0.003 0.000 0.517 369 G C -2.980 171.914 174.900 -0.010 0.000 1.256 369 G CA -1.264 43.831 45.100 -0.007 0.000 1.027 369 G HN 0.353 nan 8.290 nan 0.000 0.491 370 P HA 0.382 nan 4.420 nan 0.000 0.261 370 P C 0.276 177.562 177.300 -0.023 0.000 1.203 370 P CA -0.306 62.784 63.100 -0.016 0.000 0.767 370 P CB 0.605 32.296 31.700 -0.016 0.000 0.785 371 L N 4.577 125.782 121.223 -0.030 0.000 2.525 371 L HA 0.013 4.355 4.340 0.003 0.000 0.278 371 L C 0.209 177.036 176.870 -0.073 0.000 1.218 371 L CA 1.151 55.964 54.840 -0.045 0.000 0.878 371 L CB -0.231 41.803 42.059 -0.043 0.000 1.127 371 L HN 0.412 nan 8.230 nan 0.000 0.492 372 Q N 2.984 122.722 119.800 -0.104 0.000 2.496 372 Q HA 0.588 4.930 4.340 0.003 0.000 0.286 372 Q C 0.824 176.673 176.000 -0.251 0.000 1.103 372 Q CA -0.331 55.341 55.803 -0.219 0.000 0.813 372 Q CB 1.543 30.103 28.738 -0.296 0.000 1.444 372 Q HN 0.764 nan 8.270 nan 0.000 0.443 373 A N 0.207 122.808 122.820 -0.365 0.000 1.940 373 A HA -0.229 4.093 4.320 0.003 0.000 0.219 373 A C 1.443 178.914 177.584 -0.189 0.000 1.176 373 A CA 1.750 53.713 52.037 -0.123 0.000 0.631 373 A CB -0.802 18.102 19.000 -0.158 0.000 0.814 373 A HN 0.754 nan 8.150 nan 0.000 0.446 374 Y N 0.148 120.320 120.300 -0.214 0.000 2.114 374 Y HA -0.261 4.291 4.550 0.003 0.000 0.282 374 Y C 2.589 178.290 175.900 -0.332 0.000 1.165 374 Y CA 1.746 59.558 58.100 -0.481 0.000 1.148 374 Y CB -1.158 37.095 38.460 -0.346 0.000 0.972 374 Y HN 0.402 nan 8.280 nan 0.000 0.504 375 Q N -0.495 119.270 119.800 -0.059 0.000 2.245 375 Q HA -0.024 4.318 4.340 0.003 0.000 0.201 375 Q C 2.344 178.246 176.000 -0.163 0.000 0.955 375 Q CA 0.949 56.694 55.803 -0.097 0.000 0.870 375 Q CB -0.503 28.192 28.738 -0.071 0.000 0.945 375 Q HN 0.328 nan 8.270 nan 0.000 0.461 376 V N 0.593 120.425 119.914 -0.136 0.000 2.343 376 V HA -0.258 3.863 4.120 0.003 0.000 0.247 376 V C 2.006 177.991 176.094 -0.182 0.000 1.051 376 V CA 1.622 63.821 62.300 -0.168 0.000 1.036 376 V CB -0.507 31.223 31.823 -0.155 0.000 0.654 376 V HN 0.331 nan 8.190 nan 0.000 0.451 377 L N -0.426 120.755 121.223 -0.070 0.000 2.056 377 L HA -0.119 4.223 4.340 0.003 0.000 0.207 377 L C 2.785 179.567 176.870 -0.147 0.000 1.078 377 L CA 1.461 56.259 54.840 -0.069 0.000 0.749 377 L CB -0.677 41.355 42.059 -0.045 0.000 0.901 377 L HN 0.261 nan 8.230 nan 0.000 0.433 378 R N 0.962 121.370 120.500 -0.152 0.000 2.094 378 R HA -0.245 4.096 4.340 0.003 0.000 0.239 378 R C 2.189 178.351 176.300 -0.231 0.000 1.137 378 R CA 2.081 58.093 56.100 -0.147 0.000 0.943 378 R CB -0.505 29.722 30.300 -0.122 0.000 0.850 378 R HN 0.346 nan 8.270 nan 0.000 0.433 379 A N 0.515 123.106 122.820 -0.382 0.000 1.940 379 A HA -0.120 4.202 4.320 0.003 0.000 0.219 379 A C 2.499 179.684 177.584 -0.666 0.000 1.176 379 A CA 1.798 53.444 52.037 -0.651 0.000 0.631 379 A CB -0.637 17.673 19.000 -1.150 0.000 0.814 379 A HN 0.257 nan 8.150 nan 0.000 0.446 380 V N 1.037 120.634 119.914 -0.527 0.000 2.287 380 V HA -0.301 3.820 4.120 0.003 0.000 0.248 380 V C 2.311 178.314 176.094 -0.151 0.000 1.053 380 V CA 2.195 64.341 62.300 -0.257 0.000 1.027 380 V CB -0.985 30.680 31.823 -0.264 0.000 0.646 380 V HN 0.577 nan 8.190 nan 0.000 0.447 381 N N 0.429 119.044 118.700 -0.142 0.000 2.137 381 N HA -0.171 4.571 4.740 0.003 0.000 0.190 381 N C 1.682 177.180 175.510 -0.020 0.000 1.017 381 N CA 1.223 54.234 53.050 -0.065 0.000 0.859 381 N CB -0.305 38.138 38.487 -0.074 0.000 1.002 381 N HN 0.491 nan 8.380 nan 0.000 0.428 382 K N 0.768 121.138 120.400 -0.050 0.000 2.365 382 K HA 0.033 4.354 4.320 0.003 0.000 0.199 382 K C 1.827 178.457 176.600 0.051 0.000 1.045 382 K CA 0.510 56.789 56.287 -0.013 0.000 0.962 382 K CB 0.113 32.584 32.500 -0.047 0.000 0.759 382 K HN 0.477 nan 8.250 nan 0.000 0.469 383 I N -2.836 117.802 120.570 0.113 0.000 4.018 383 I HA 0.280 4.452 4.170 0.003 0.000 0.337 383 I C 0.562 176.834 176.117 0.258 0.000 1.327 383 I CA -0.505 60.911 61.300 0.195 0.000 1.100 383 I CB 0.392 38.561 38.000 0.281 0.000 1.025 383 I HN -0.252 nan 8.210 nan 0.000 0.396 384 A N 1.997 124.978 122.820 0.269 0.000 2.454 384 A HA 0.299 4.621 4.320 0.003 0.000 0.260 384 A C 0.225 177.927 177.584 0.197 0.000 1.106 384 A CA -0.124 52.116 52.037 0.338 0.000 0.780 384 A CB -0.084 19.112 19.000 0.327 0.000 1.044 384 A HN 0.499 nan 8.150 nan 0.000 0.498 385 E N 3.325 123.619 120.200 0.158 0.000 2.408 385 E HA 0.098 4.450 4.350 0.003 0.000 0.259 385 E C -1.236 175.420 176.600 0.093 0.000 1.110 385 E CA -1.435 55.018 56.400 0.087 0.000 0.929 385 E CB 0.450 30.173 29.700 0.039 0.000 0.971 385 E HN 0.516 nan 8.360 nan 0.000 0.438 386 P HA -0.175 nan 4.420 nan 0.000 0.218 386 P C 0.159 177.496 177.300 0.062 0.000 1.148 386 P CA 1.439 64.575 63.100 0.060 0.000 0.822 386 P CB 0.098 31.820 31.700 0.036 0.000 0.784 387 D N -1.381 119.044 120.400 0.041 0.000 2.670 387 D HA 0.306 4.948 4.640 0.003 0.000 0.255 387 D C 0.217 176.516 176.300 -0.001 0.000 1.286 387 D CA -0.908 53.102 54.000 0.018 0.000 0.830 387 D CB -0.532 40.258 40.800 -0.016 0.000 1.065 387 D HN 0.009 nan 8.370 nan 0.000 0.486 388 A N 0.545 123.386 122.820 0.035 0.000 2.466 388 A HA 0.422 4.744 4.320 0.003 0.000 0.238 388 A C 0.275 177.796 177.584 -0.104 0.000 1.074 388 A CA -0.108 51.894 52.037 -0.058 0.000 0.774 388 A CB 0.219 19.197 19.000 -0.037 0.000 1.015 388 A HN 0.426 nan 8.150 nan 0.000 0.498 389 I N 0.971 121.431 120.570 -0.184 0.000 2.404 389 I HA 0.327 4.498 4.170 0.003 0.000 0.293 389 I C -1.307 174.728 176.117 -0.137 0.000 0.992 389 I CA -0.354 60.913 61.300 -0.055 0.000 1.149 389 I CB 1.433 39.431 38.000 -0.005 0.000 1.315 389 I HN 0.589 nan 8.210 nan 0.000 0.446 390 Y N 3.802 124.241 120.300 0.233 0.000 2.328 390 Y HA 0.304 4.855 4.550 0.002 0.000 0.333 390 Y C 0.492 176.523 175.900 0.218 0.000 0.958 390 Y CA -0.677 57.574 58.100 0.252 0.000 1.167 390 Y CB 1.778 40.351 38.460 0.189 0.000 1.151 390 Y HN 0.414 nan 8.280 nan 0.000 0.470 391 S N 4.991 120.870 115.700 0.298 0.000 2.465 391 S HA 0.638 5.110 4.470 0.003 0.000 0.279 391 S C -0.563 174.173 174.600 0.226 0.000 1.201 391 S CA -0.354 57.980 58.200 0.224 0.000 1.053 391 S CB -0.250 63.043 63.200 0.155 0.000 0.953 391 S HN 0.566 nan 8.310 nan 0.000 0.488 392 I N 4.093 124.785 120.570 0.202 0.000 2.509 392 I HA 0.348 4.520 4.170 0.003 0.000 0.293 392 I C 0.566 176.741 176.117 0.096 0.000 1.020 392 I CA -0.831 60.569 61.300 0.168 0.000 1.088 392 I CB 1.858 39.989 38.000 0.218 0.000 1.267 392 I HN 0.605 nan 8.210 nan 0.000 0.430 393 D N 3.665 124.096 120.400 0.051 0.000 2.376 393 D HA 0.382 5.024 4.640 0.003 0.000 0.281 393 D C -0.912 175.360 176.300 -0.046 0.000 1.215 393 D CA 0.038 54.041 54.000 0.005 0.000 1.062 393 D CB 1.575 42.378 40.800 0.005 0.000 1.124 393 D HN 0.098 nan 8.370 nan 0.000 0.550 394 V N -0.408 119.458 119.914 -0.080 0.000 2.531 394 V HA 0.666 4.788 4.120 0.003 0.000 0.301 394 V C 0.665 176.662 176.094 -0.162 0.000 1.034 394 V CA 0.190 62.397 62.300 -0.156 0.000 0.865 394 V CB 0.899 32.618 31.823 -0.173 0.000 0.995 394 V HN 0.921 nan 8.190 nan 0.000 0.424 395 G N 3.696 112.332 108.800 -0.273 0.000 2.247 395 G HA2 -0.023 3.938 3.960 0.003 0.000 0.229 395 G HA3 -0.023 3.938 3.960 0.003 0.000 0.229 395 G C -0.047 174.739 174.900 -0.191 0.000 1.345 395 G CA 0.076 45.029 45.100 -0.245 0.000 1.100 395 G HN 0.453 nan 8.290 nan 0.000 0.473 396 D N -0.347 120.100 120.400 0.079 0.000 2.190 396 D HA -0.106 4.536 4.640 0.003 0.000 0.200 396 D C 2.366 178.662 176.300 -0.007 0.000 0.992 396 D CA 1.407 55.496 54.000 0.148 0.000 0.854 396 D CB -0.053 40.831 40.800 0.140 0.000 0.936 396 D HN 0.358 nan 8.370 nan 0.000 0.462 397 I N 1.128 121.618 120.570 -0.132 0.000 2.335 397 I HA -0.289 3.882 4.170 0.003 0.000 0.251 397 I C 1.352 177.421 176.117 -0.081 0.000 1.129 397 I CA 1.419 62.574 61.300 -0.242 0.000 1.402 397 I CB -0.274 37.519 38.000 -0.346 0.000 1.069 397 I HN -0.004 nan 8.210 nan 0.000 0.424 398 N N 0.243 118.922 118.700 -0.034 0.000 2.058 398 N HA -0.205 4.537 4.740 0.003 0.000 0.191 398 N C 1.961 177.616 175.510 0.242 0.000 1.037 398 N CA 1.671 54.788 53.050 0.111 0.000 0.848 398 N CB -0.424 37.975 38.487 -0.147 0.000 1.021 398 N HN 0.399 nan 8.380 nan 0.000 0.422 399 L N 1.113 122.433 121.223 0.161 0.000 1.990 399 L HA -0.246 4.096 4.340 0.003 0.000 0.213 399 L C 1.681 178.678 176.870 0.212 0.000 1.072 399 L CA 1.487 56.459 54.840 0.221 0.000 0.755 399 L CB -0.267 41.946 42.059 0.256 0.000 0.889 399 L HN 0.253 nan 8.230 nan 0.000 0.432 400 N N 0.139 118.936 118.700 0.162 0.000 2.080 400 N HA -0.135 4.606 4.740 0.003 0.000 0.189 400 N C 1.809 177.436 175.510 0.194 0.000 1.036 400 N CA 1.594 54.772 53.050 0.213 0.000 0.846 400 N CB -0.518 38.006 38.487 0.061 0.000 1.015 400 N HN 0.486 nan 8.380 nan 0.000 0.423 401 A N 1.272 124.119 122.820 0.046 0.000 1.933 401 A HA -0.182 4.140 4.320 0.003 0.000 0.218 401 A C 2.145 179.697 177.584 -0.054 0.000 1.175 401 A CA 1.648 53.671 52.037 -0.024 0.000 0.628 401 A CB -0.785 18.177 19.000 -0.063 0.000 0.814 401 A HN 0.291 nan 8.150 nan 0.000 0.444 402 N N -0.175 118.532 118.700 0.013 0.000 2.061 402 N HA -0.183 4.558 4.740 0.003 0.000 0.193 402 N C 1.860 177.363 175.510 -0.012 0.000 1.030 402 N CA 1.994 55.019 53.050 -0.043 0.000 0.856 402 N CB -0.308 38.242 38.487 0.105 0.000 1.023 402 N HN 0.544 nan 8.380 nan 0.000 0.424 403 R N -1.400 119.120 120.500 0.032 0.000 2.073 403 R HA 0.012 4.354 4.340 0.003 0.000 0.229 403 R C 1.786 177.914 176.300 -0.286 0.000 1.120 403 R CA 1.252 57.291 56.100 -0.101 0.000 0.967 403 R CB -0.168 30.018 30.300 -0.190 0.000 0.862 403 R HN 0.500 nan 8.270 nan 0.000 0.436 404 H N -0.590 118.437 119.070 -0.072 0.000 2.557 404 H HA 0.182 4.740 4.556 0.003 0.000 0.281 404 H C 0.598 175.839 175.328 -0.145 0.000 0.990 404 H CA -0.001 55.983 56.048 -0.106 0.000 1.278 404 H CB 0.402 30.122 29.762 -0.070 0.000 1.451 404 H HN 0.019 nan 8.280 nan 0.000 0.516 405 L N 2.000 123.162 121.223 -0.101 0.000 2.461 405 L HA 0.071 4.413 4.340 0.003 0.000 0.272 405 L C 0.275 177.026 176.870 -0.198 0.000 1.197 405 L CA 0.424 55.121 54.840 -0.239 0.000 0.836 405 L CB 0.535 42.304 42.059 -0.484 0.000 1.105 405 L HN -0.090 nan 8.230 nan 0.000 0.477 406 K N 4.538 124.833 120.400 -0.175 0.000 2.478 406 K HA 0.499 4.821 4.320 0.003 0.000 0.236 406 K C -1.060 175.476 176.600 -0.107 0.000 1.021 406 K CA -0.234 55.986 56.287 -0.112 0.000 1.010 406 K CB 0.921 33.382 32.500 -0.065 0.000 1.331 406 K HN 0.403 nan 8.250 nan 0.000 0.470 407 L N 1.460 122.603 121.223 -0.134 0.000 2.352 407 L HA 0.556 4.898 4.340 0.003 0.000 0.269 407 L C 0.655 177.488 176.870 -0.062 0.000 1.034 407 L CA -0.766 54.014 54.840 -0.100 0.000 0.806 407 L CB 1.703 43.661 42.059 -0.169 0.000 1.244 407 L HN 0.575 nan 8.230 nan 0.000 0.447 408 T N -2.990 111.553 114.554 -0.018 0.000 2.864 408 T HA 0.427 4.779 4.350 0.003 0.000 0.289 408 T C -2.439 172.262 174.700 0.002 0.000 1.082 408 T CA -1.878 60.211 62.100 -0.018 0.000 1.009 408 T CB 1.892 70.757 68.868 -0.004 0.000 1.234 408 T HN 0.228 nan 8.240 nan 0.000 0.526 409 P HA 0.028 nan 4.420 nan 0.000 0.226 409 P C 1.362 178.673 177.300 0.018 0.000 1.146 409 P CA 0.715 63.820 63.100 0.008 0.000 0.773 409 P CB -0.080 31.614 31.700 -0.011 0.000 0.772 410 S N -1.275 114.436 115.700 0.018 0.000 2.428 410 S HA -0.040 4.432 4.470 0.003 0.000 0.230 410 S C 0.887 175.505 174.600 0.030 0.000 1.014 410 S CA 0.712 58.922 58.200 0.018 0.000 0.957 410 S CB -0.792 62.419 63.200 0.019 0.000 0.784 410 S HN 0.355 nan 8.310 nan 0.000 0.499 411 N N 0.979 119.722 118.700 0.071 0.000 2.408 411 N HA 0.366 5.107 4.740 0.003 0.000 0.260 411 N C -0.136 175.457 175.510 0.139 0.000 1.242 411 N CA -0.233 52.895 53.050 0.131 0.000 0.959 411 N CB 0.486 39.109 38.487 0.228 0.000 1.201 411 N HN -0.040 nan 8.380 nan 0.000 0.511 412 R N 0.375 120.987 120.500 0.187 0.000 2.686 412 R HA 0.384 4.726 4.340 0.003 0.000 0.283 412 R C -1.156 175.368 176.300 0.373 0.000 0.978 412 R CA -0.825 55.397 56.100 0.204 0.000 0.897 412 R CB 1.051 31.399 30.300 0.080 0.000 1.192 412 R HN 0.948 nan 8.270 nan 0.000 0.457 413 H N 0.205 119.376 119.070 0.169 0.000 2.806 413 H HA 0.712 5.270 4.556 0.003 0.000 0.367 413 H C -0.095 175.339 175.328 0.178 0.000 1.136 413 H CA -1.118 55.053 56.048 0.205 0.000 1.178 413 H CB 2.088 31.939 29.762 0.148 0.000 1.718 413 H HN 0.409 nan 8.280 nan 0.000 0.540 414 I N 0.234 120.909 120.570 0.175 0.000 2.689 414 I HA 0.804 4.975 4.170 0.003 0.000 0.299 414 I C -0.971 175.244 176.117 0.163 0.000 1.059 414 I CA -0.623 60.742 61.300 0.109 0.000 1.055 414 I CB 1.769 39.829 38.000 0.101 0.000 1.243 414 I HN 0.867 nan 8.210 nan 0.000 0.425 415 T N 1.881 116.514 114.554 0.132 0.000 2.648 415 T HA 0.352 4.703 4.350 0.003 0.000 0.304 415 T C -1.114 173.618 174.700 0.054 0.000 1.312 415 T CA -0.283 61.880 62.100 0.105 0.000 1.023 415 T CB 1.537 70.484 68.868 0.132 0.000 1.612 415 T HN 0.828 nan 8.240 nan 0.000 0.487 416 S N 1.552 117.259 115.700 0.013 0.000 2.415 416 S HA 0.338 4.809 4.470 0.003 0.000 0.313 416 S C 0.875 175.456 174.600 -0.032 0.000 1.067 416 S CA -0.624 57.586 58.200 0.017 0.000 1.099 416 S CB -0.448 62.766 63.200 0.024 0.000 0.991 416 S HN 0.542 nan 8.310 nan 0.000 0.491 417 N N 4.439 123.137 118.700 -0.004 0.000 2.182 417 N HA -0.009 4.733 4.740 0.003 0.000 0.186 417 N C 1.343 176.838 175.510 -0.026 0.000 1.036 417 N CA 0.678 53.703 53.050 -0.040 0.000 0.850 417 N CB -0.186 38.319 38.487 0.030 0.000 1.010 417 N HN 0.443 nan 8.380 nan 0.000 0.432 418 L N -0.103 121.143 121.223 0.037 0.000 2.200 418 L HA 0.097 4.439 4.340 0.003 0.000 0.200 418 L C 1.995 178.931 176.870 0.109 0.000 1.072 418 L CA 0.883 55.756 54.840 0.056 0.000 0.787 418 L CB -0.933 41.167 42.059 0.069 0.000 0.957 418 L HN -0.008 nan 8.230 nan 0.000 0.459 419 F N 1.596 121.522 119.950 -0.039 0.000 2.259 419 F HA 0.106 4.635 4.527 0.003 0.000 0.298 419 F C 1.591 177.354 175.800 -0.062 0.000 1.088 419 F CA 0.566 58.544 58.000 -0.037 0.000 1.358 419 F CB -0.273 38.725 39.000 -0.004 0.000 1.040 419 F HN 0.256 nan 8.300 nan 0.000 0.505 420 A N 1.022 123.819 122.820 -0.038 0.000 2.610 420 A HA -0.239 4.083 4.320 0.003 0.000 0.299 420 A C 0.729 178.157 177.584 -0.260 0.000 1.487 420 A CA 0.945 52.883 52.037 -0.166 0.000 0.743 420 A CB -2.642 16.239 19.000 -0.199 0.000 1.070 420 A HN 0.457 nan 8.150 nan 0.000 0.439 421 T N 0.698 115.132 114.554 -0.200 0.000 2.832 421 T HA 0.544 4.895 4.350 0.003 0.000 0.296 421 T C 0.716 175.341 174.700 -0.123 0.000 0.968 421 T CA -0.102 61.870 62.100 -0.214 0.000 1.107 421 T CB -0.068 68.766 68.868 -0.058 0.000 0.916 421 T HN 0.462 nan 8.240 nan 0.000 0.517 422 M N 3.731 123.248 119.600 -0.138 0.000 2.232 422 M HA 0.362 4.843 4.480 0.003 0.000 0.321 422 M C 1.673 177.936 176.300 -0.063 0.000 1.101 422 M CA 1.193 56.439 55.300 -0.089 0.000 1.181 422 M CB 0.428 32.977 32.600 -0.084 0.000 1.432 422 M HN 0.985 nan 8.290 nan 0.000 0.457 423 G N -0.200 108.576 108.800 -0.040 0.000 2.213 423 G HA2 -0.230 3.732 3.960 0.003 0.000 0.226 423 G HA3 -0.230 3.732 3.960 0.003 0.000 0.226 423 G C 0.459 175.341 174.900 -0.030 0.000 0.992 423 G CA 0.221 45.296 45.100 -0.041 0.000 0.632 423 G HN 0.790 nan 8.290 nan 0.000 0.511 424 V N -0.175 119.729 119.914 -0.017 0.000 3.041 424 V HA 0.380 4.501 4.120 0.003 0.000 0.260 424 V C 2.594 178.697 176.094 0.015 0.000 1.105 424 V CA 1.966 64.264 62.300 -0.003 0.000 1.125 424 V CB -0.947 30.884 31.823 0.012 0.000 0.730 424 V HN 0.873 nan 8.190 nan 0.000 0.479 425 G N 1.164 109.979 108.800 0.025 0.000 2.514 425 G HA2 -0.240 3.721 3.960 0.003 0.000 0.217 425 G HA3 -0.240 3.721 3.960 0.003 0.000 0.217 425 G C 1.501 176.430 174.900 0.048 0.000 1.198 425 G CA 1.491 46.624 45.100 0.055 0.000 0.780 425 G HN 0.515 nan 8.290 nan 0.000 0.565 426 I N 1.886 122.471 120.570 0.024 0.000 2.127 426 I HA -0.125 4.046 4.170 0.003 0.000 0.241 426 I C 0.057 176.176 176.117 0.004 0.000 1.075 426 I CA 1.351 62.662 61.300 0.019 0.000 1.334 426 I CB -0.698 37.308 38.000 0.011 0.000 1.040 426 I HN 0.203 nan 8.210 nan 0.000 0.405 427 P HA -0.122 nan 4.420 nan 0.000 0.217 427 P C 1.617 178.893 177.300 -0.040 0.000 1.150 427 P CA 1.934 64.993 63.100 -0.067 0.000 0.832 427 P CB -0.321 31.314 31.700 -0.108 0.000 0.787 428 G N 0.379 109.180 108.800 0.003 0.000 2.422 428 G HA2 -0.211 3.751 3.960 0.003 0.000 0.218 428 G HA3 -0.211 3.751 3.960 0.003 0.000 0.218 428 G C 1.762 176.703 174.900 0.067 0.000 1.146 428 G CA 1.002 46.128 45.100 0.042 0.000 0.769 428 G HN 0.362 nan 8.290 nan 0.000 0.547 429 A N 0.588 123.446 122.820 0.064 0.000 1.930 429 A HA 0.126 4.448 4.320 0.003 0.000 0.217 429 A C 2.369 179.983 177.584 0.050 0.000 1.175 429 A CA 1.071 53.149 52.037 0.067 0.000 0.627 429 A CB -0.298 18.742 19.000 0.066 0.000 0.815 429 A HN 0.356 nan 8.150 nan 0.000 0.443 430 I N -0.087 120.503 120.570 0.033 0.000 2.127 430 I HA -0.311 3.861 4.170 0.003 0.000 0.241 430 I C 2.990 179.134 176.117 0.045 0.000 1.075 430 I CA 1.227 62.546 61.300 0.031 0.000 1.334 430 I CB -0.301 37.713 38.000 0.024 0.000 1.040 430 I HN 0.348 nan 8.210 nan 0.000 0.405 431 A N 0.548 123.407 122.820 0.065 0.000 1.908 431 A HA -0.208 4.113 4.320 0.003 0.000 0.218 431 A C 2.521 180.175 177.584 0.117 0.000 1.181 431 A CA 2.000 54.121 52.037 0.139 0.000 0.627 431 A CB -0.959 18.133 19.000 0.153 0.000 0.818 431 A HN 0.454 nan 8.150 nan 0.000 0.445 432 A N -0.404 122.495 122.820 0.131 0.000 1.877 432 A HA -0.173 4.148 4.320 0.003 0.000 0.216 432 A C 2.099 179.795 177.584 0.185 0.000 1.186 432 A CA 2.309 54.474 52.037 0.212 0.000 0.620 432 A CB -0.428 18.682 19.000 0.182 0.000 0.822 432 A HN 0.439 nan 8.150 nan 0.000 0.443 433 K N -0.337 120.115 120.400 0.087 0.000 2.148 433 K HA 0.072 4.394 4.320 0.003 0.000 0.204 433 K C 1.710 178.299 176.600 -0.017 0.000 1.050 433 K CA 1.003 57.316 56.287 0.044 0.000 0.942 433 K CB -0.375 32.135 32.500 0.015 0.000 0.724 433 K HN 0.483 nan 8.250 nan 0.000 0.446 434 L N 0.472 121.641 121.223 -0.090 0.000 2.217 434 L HA -0.103 4.239 4.340 0.003 0.000 0.211 434 L C 1.705 178.443 176.870 -0.220 0.000 1.107 434 L CA 0.768 55.454 54.840 -0.256 0.000 0.783 434 L CB -0.261 41.445 42.059 -0.589 0.000 0.919 434 L HN 0.264 nan 8.230 nan 0.000 0.442 435 N N -0.725 117.875 118.700 -0.167 0.000 2.333 435 N HA -0.065 4.676 4.740 0.003 0.000 0.178 435 N C -0.275 174.868 175.510 -0.612 0.000 1.018 435 N CA 0.943 53.770 53.050 -0.371 0.000 0.882 435 N CB 0.356 38.535 38.487 -0.514 0.000 0.984 435 N HN 0.253 nan 8.380 nan 0.000 0.434 436 Y N -0.411 119.908 120.300 0.031 0.000 2.535 436 Y HA 0.355 4.907 4.550 0.002 0.000 0.351 436 Y C -1.908 173.990 175.900 -0.004 0.000 1.050 436 Y CA -1.910 56.202 58.100 0.020 0.000 1.168 436 Y CB 1.534 40.009 38.460 0.025 0.000 1.116 436 Y HN -0.040 nan 8.280 nan 0.000 0.654 437 P HA -0.125 nan 4.420 nan 0.000 0.220 437 P C 0.562 177.886 177.300 0.039 0.000 1.148 437 P CA 1.475 64.597 63.100 0.037 0.000 0.803 437 P CB 0.436 32.140 31.700 0.007 0.000 0.782 438 E N -1.068 119.169 120.200 0.062 0.000 2.502 438 E HA 0.028 4.380 4.350 0.003 0.000 0.194 438 E C 0.686 177.302 176.600 0.026 0.000 1.062 438 E CA 0.170 56.592 56.400 0.037 0.000 0.867 438 E CB -0.008 29.719 29.700 0.045 0.000 0.888 438 E HN 0.278 nan 8.360 nan 0.000 0.510 439 R N 1.353 121.880 120.500 0.046 0.000 2.604 439 R HA 0.239 4.580 4.340 0.003 0.000 0.287 439 R C -0.111 176.162 176.300 -0.046 0.000 0.970 439 R CA -0.517 55.581 56.100 -0.002 0.000 0.946 439 R CB 1.482 31.773 30.300 -0.016 0.000 1.127 439 R HN 0.076 nan 8.270 nan 0.000 0.473 440 Q N 1.643 121.386 119.800 -0.094 0.000 2.352 440 Q HA 0.260 4.602 4.340 0.003 0.000 0.260 440 Q C -1.174 174.689 176.000 -0.227 0.000 0.976 440 Q CA -0.081 55.611 55.803 -0.184 0.000 0.881 440 Q CB 1.105 29.726 28.738 -0.196 0.000 1.235 440 Q HN 0.287 nan 8.270 nan 0.000 0.419 441 V N 4.849 124.577 119.914 -0.310 0.000 2.577 441 V HA 0.420 4.542 4.120 0.003 0.000 0.303 441 V C -1.067 174.804 176.094 -0.371 0.000 1.042 441 V CA -0.622 61.536 62.300 -0.235 0.000 0.872 441 V CB 1.350 33.129 31.823 -0.074 0.000 0.998 441 V HN 0.658 nan 8.190 nan 0.000 0.423 442 F N 2.913 122.786 119.950 -0.128 0.000 2.425 442 F HA 0.578 5.107 4.527 0.002 0.000 0.331 442 F C 0.386 176.227 175.800 0.069 0.000 1.085 442 F CA -0.503 57.493 58.000 -0.008 0.000 1.028 442 F CB 1.648 40.673 39.000 0.042 0.000 1.177 442 F HN 0.531 nan 8.300 nan 0.000 0.487 443 N N 3.059 121.940 118.700 0.301 0.000 2.442 443 N HA 0.453 5.195 4.740 0.003 0.000 0.274 443 N C -1.937 173.742 175.510 0.282 0.000 1.002 443 N CA -0.387 52.804 53.050 0.236 0.000 0.910 443 N CB 0.763 39.333 38.487 0.137 0.000 1.244 443 N HN 0.574 nan 8.380 nan 0.000 0.492 444 L N 2.305 123.697 121.223 0.282 0.000 2.305 444 L HA 0.894 5.236 4.340 0.003 0.000 0.284 444 L C -0.262 176.721 176.870 0.188 0.000 1.013 444 L CA -0.925 54.102 54.840 0.311 0.000 0.819 444 L CB 1.411 43.634 42.059 0.273 0.000 1.227 444 L HN 0.676 nan 8.230 nan 0.000 0.417 445 A N 2.091 125.048 122.820 0.229 0.000 2.572 445 A HA 0.827 5.149 4.320 0.003 0.000 0.295 445 A C -0.165 177.504 177.584 0.142 0.000 1.072 445 A CA -0.314 51.784 52.037 0.102 0.000 0.691 445 A CB 1.577 20.598 19.000 0.035 0.000 1.291 445 A HN 0.699 nan 8.150 nan 0.000 0.404 446 G N -0.121 108.720 108.800 0.068 0.000 2.634 446 G HA2 0.392 4.354 3.960 0.003 0.000 0.255 446 G HA3 0.392 4.354 3.960 0.003 0.000 0.255 446 G C 0.319 175.261 174.900 0.070 0.000 1.205 446 G CA 0.403 45.573 45.100 0.116 0.000 0.884 446 G HN 0.799 nan 8.290 nan 0.000 0.549 447 D N -0.309 120.164 120.400 0.122 0.000 2.144 447 D HA -0.076 4.565 4.640 0.003 0.000 0.200 447 D C 2.270 178.717 176.300 0.245 0.000 0.978 447 D CA 1.234 55.322 54.000 0.146 0.000 0.833 447 D CB -1.026 39.999 40.800 0.375 0.000 0.961 447 D HN 0.483 nan 8.370 nan 0.000 0.470 448 G N 0.548 109.533 108.800 0.308 0.000 2.476 448 G HA2 -0.208 3.754 3.960 0.003 0.000 0.218 448 G HA3 -0.208 3.754 3.960 0.003 0.000 0.218 448 G C 1.687 176.741 174.900 0.257 0.000 1.164 448 G CA 1.187 46.521 45.100 0.390 0.000 0.768 448 G HN 0.508 nan 8.290 nan 0.000 0.560 449 G N 0.444 109.341 108.800 0.162 0.000 2.426 449 G HA2 0.233 4.195 3.960 0.003 0.000 0.214 449 G HA3 0.233 4.195 3.960 0.003 0.000 0.214 449 G C 1.987 176.912 174.900 0.041 0.000 1.156 449 G CA 1.237 46.380 45.100 0.071 0.000 0.802 449 G HN 0.628 nan 8.290 nan 0.000 0.534 450 A N 1.030 123.854 122.820 0.007 0.000 1.930 450 A HA 0.052 4.374 4.320 0.003 0.000 0.217 450 A C 2.635 180.313 177.584 0.155 0.000 1.175 450 A CA 2.081 54.093 52.037 -0.042 0.000 0.627 450 A CB -0.541 18.222 19.000 -0.396 0.000 0.815 450 A HN 0.269 nan 8.150 nan 0.000 0.443 451 S N -0.217 115.653 115.700 0.283 0.000 2.374 451 S HA -0.204 4.268 4.470 0.003 0.000 0.227 451 S C 1.956 176.617 174.600 0.101 0.000 1.037 451 S CA 1.868 60.226 58.200 0.263 0.000 1.024 451 S CB -0.413 62.883 63.200 0.160 0.000 0.861 451 S HN 0.608 nan 8.310 nan 0.000 0.456 452 M N 0.839 120.471 119.600 0.053 0.000 2.296 452 M HA -0.063 4.419 4.480 0.003 0.000 0.265 452 M C 1.499 177.756 176.300 -0.071 0.000 1.064 452 M CA 1.316 56.603 55.300 -0.023 0.000 1.109 452 M CB -0.487 32.089 32.600 -0.040 0.000 1.396 452 M HN 0.423 nan 8.290 nan 0.000 0.430 453 T N -3.372 111.163 114.554 -0.031 0.000 3.200 453 T HA 0.265 4.617 4.350 0.003 0.000 0.284 453 T C 1.204 175.913 174.700 0.016 0.000 1.009 453 T CA -0.381 61.689 62.100 -0.050 0.000 0.907 453 T CB -0.372 68.458 68.868 -0.064 0.000 1.120 453 T HN 0.398 nan 8.240 nan 0.000 0.534 454 M N 1.361 121.005 119.600 0.073 0.000 2.106 454 M HA -0.213 4.269 4.480 0.003 0.000 0.259 454 M C 2.381 178.721 176.300 0.067 0.000 1.068 454 M CA 2.007 57.381 55.300 0.123 0.000 1.100 454 M CB -0.924 31.793 32.600 0.196 0.000 1.351 454 M HN 0.242 nan 8.290 nan 0.000 0.404 455 Q N 1.051 120.875 119.800 0.041 0.000 2.248 455 Q HA -0.227 4.115 4.340 0.003 0.000 0.208 455 Q C 0.789 176.808 176.000 0.032 0.000 0.984 455 Q CA 2.124 57.946 55.803 0.031 0.000 0.875 455 Q CB -1.152 27.610 28.738 0.041 0.000 0.910 455 Q HN 0.673 nan 8.270 nan 0.000 0.433 456 D N 0.703 121.123 120.400 0.033 0.000 2.363 456 D HA 0.081 4.723 4.640 0.003 0.000 0.226 456 D C 1.845 178.165 176.300 0.034 0.000 1.020 456 D CA 0.057 54.077 54.000 0.034 0.000 0.892 456 D CB 0.152 40.965 40.800 0.022 0.000 0.900 456 D HN 0.305 nan 8.370 nan 0.000 0.531 457 L N 0.916 122.160 121.223 0.035 0.000 2.081 457 L HA -0.222 4.120 4.340 0.003 0.000 0.212 457 L C 2.651 179.529 176.870 0.013 0.000 1.080 457 L CA 1.195 56.053 54.840 0.030 0.000 0.754 457 L CB -0.446 41.636 42.059 0.040 0.000 0.893 457 L HN 0.010 nan 8.230 nan 0.000 0.433 458 A N -0.574 122.249 122.820 0.005 0.000 1.969 458 A HA -0.177 4.145 4.320 0.003 0.000 0.218 458 A C 2.362 179.946 177.584 -0.000 0.000 1.169 458 A CA 2.133 54.163 52.037 -0.013 0.000 0.635 458 A CB -0.803 18.186 19.000 -0.018 0.000 0.810 458 A HN 0.392 nan 8.150 nan 0.000 0.445 459 T N 0.227 114.808 114.554 0.044 0.000 2.720 459 T HA -0.201 4.150 4.350 0.003 0.000 0.268 459 T C 2.018 176.793 174.700 0.125 0.000 1.037 459 T CA 1.836 64.006 62.100 0.117 0.000 1.144 459 T CB -0.273 68.673 68.868 0.130 0.000 0.864 459 T HN 0.662 nan 8.240 nan 0.000 0.444 460 Q N 0.178 120.017 119.800 0.064 0.000 2.084 460 Q HA -0.069 4.272 4.340 0.003 0.000 0.202 460 Q C 2.560 178.556 176.000 -0.007 0.000 0.978 460 Q CA 1.140 56.972 55.803 0.047 0.000 0.844 460 Q CB -0.369 28.387 28.738 0.031 0.000 0.898 460 Q HN 0.352 nan 8.270 nan 0.000 0.426 461 V N 0.850 120.738 119.914 -0.043 0.000 2.307 461 V HA -0.303 3.818 4.120 0.003 0.000 0.245 461 V C 2.302 178.224 176.094 -0.286 0.000 1.045 461 V CA 2.175 64.409 62.300 -0.110 0.000 1.024 461 V CB -0.629 31.160 31.823 -0.057 0.000 0.651 461 V HN 0.413 nan 8.190 nan 0.000 0.449 462 Q N -0.998 118.644 119.800 -0.264 0.000 2.170 462 Q HA -0.204 4.138 4.340 0.003 0.000 0.203 462 Q C 1.723 177.296 176.000 -0.711 0.000 0.976 462 Q CA 1.945 57.463 55.803 -0.476 0.000 0.858 462 Q CB -0.051 28.413 28.738 -0.456 0.000 0.907 462 Q HN 0.758 nan 8.270 nan 0.000 0.433 463 Y N -1.079 119.089 120.300 -0.221 0.000 2.458 463 Y HA 0.189 4.741 4.550 0.003 0.000 0.256 463 Y C -0.526 175.351 175.900 -0.038 0.000 1.159 463 Y CA 0.194 58.225 58.100 -0.115 0.000 1.261 463 Y CB 0.341 38.759 38.460 -0.070 0.000 1.119 463 Y HN 0.226 nan 8.280 nan 0.000 0.524 464 H N -0.767 118.338 119.070 0.058 0.000 2.819 464 H HA -0.144 4.414 4.556 0.003 0.000 0.315 464 H C -0.879 174.475 175.328 0.044 0.000 1.242 464 H CA 0.240 56.312 56.048 0.039 0.000 1.157 464 H CB -1.948 27.829 29.762 0.026 0.000 1.451 464 H HN 0.202 nan 8.280 nan 0.000 0.430 465 L N 1.983 123.267 121.223 0.101 0.000 2.287 465 L HA 0.289 4.630 4.340 0.003 0.000 0.280 465 L C -1.807 175.087 176.870 0.039 0.000 1.055 465 L CA -1.856 53.023 54.840 0.065 0.000 0.863 465 L CB 0.738 42.828 42.059 0.053 0.000 1.245 465 L HN -0.005 nan 8.230 nan 0.000 0.432 466 P HA 0.067 nan 4.420 nan 0.000 0.235 466 P C 0.025 177.297 177.300 -0.047 0.000 1.765 466 P CA 0.040 63.140 63.100 -0.000 0.000 1.034 466 P CB 0.089 31.784 31.700 -0.009 0.000 1.984 467 V N 3.328 123.221 119.914 -0.035 0.000 2.881 467 V HA 0.158 4.280 4.120 0.003 0.000 0.303 467 V C 1.116 177.161 176.094 -0.082 0.000 1.070 467 V CA -0.346 61.915 62.300 -0.064 0.000 1.074 467 V CB 1.028 32.844 31.823 -0.012 0.000 1.012 467 V HN 0.236 nan 8.190 nan 0.000 0.482 468 I N 4.270 124.747 120.570 -0.154 0.000 2.307 468 I HA 0.290 4.462 4.170 0.003 0.000 0.287 468 I C 0.060 176.223 176.117 0.077 0.000 1.054 468 I CA -0.136 61.106 61.300 -0.096 0.000 1.218 468 I CB 0.324 38.152 38.000 -0.288 0.000 1.398 468 I HN 0.586 nan 8.210 nan 0.000 0.475 469 N N 6.421 125.163 118.700 0.071 0.000 2.434 469 N HA 0.353 5.094 4.740 0.003 0.000 0.272 469 N C -0.816 174.752 175.510 0.097 0.000 1.040 469 N CA -0.219 52.887 53.050 0.092 0.000 0.956 469 N CB 2.576 41.090 38.487 0.046 0.000 1.108 469 N HN 0.184 nan 8.380 nan 0.000 0.481 470 V N 2.717 122.720 119.914 0.148 0.000 2.443 470 V HA 0.311 4.433 4.120 0.003 0.000 0.293 470 V C 0.006 176.134 176.094 0.057 0.000 1.021 470 V CA -0.801 61.550 62.300 0.085 0.000 0.848 470 V CB 1.963 33.904 31.823 0.197 0.000 0.998 470 V HN 0.273 nan 8.190 nan 0.000 0.424 471 V N 5.206 125.057 119.914 -0.106 0.000 2.459 471 V HA 0.494 4.616 4.120 0.003 0.000 0.295 471 V C -0.666 175.346 176.094 -0.136 0.000 1.029 471 V CA -0.435 61.799 62.300 -0.109 0.000 0.874 471 V CB 1.694 33.278 31.823 -0.398 0.000 0.985 471 V HN 0.697 nan 8.190 nan 0.000 0.438 472 F N 2.350 122.262 119.950 -0.063 0.000 2.351 472 F HA 0.324 4.852 4.527 0.003 0.000 0.362 472 F C 1.051 176.845 175.800 -0.010 0.000 1.131 472 F CA -0.380 57.605 58.000 -0.026 0.000 1.187 472 F CB 0.797 39.784 39.000 -0.022 0.000 1.434 472 F HN 0.342 nan 8.300 nan 0.000 0.553 473 T N 2.837 117.442 114.554 0.084 0.000 2.863 473 T HA 0.076 4.428 4.350 0.003 0.000 0.299 473 T C 0.996 175.730 174.700 0.057 0.000 0.973 473 T CA -0.445 61.719 62.100 0.108 0.000 0.994 473 T CB -0.158 68.791 68.868 0.136 0.000 0.961 473 T HN 0.475 nan 8.240 nan 0.000 0.552 474 N N 0.308 119.027 118.700 0.033 0.000 2.236 474 N HA 0.052 4.794 4.740 0.003 0.000 0.196 474 N C 0.566 175.986 175.510 -0.150 0.000 1.114 474 N CA -0.545 52.475 53.050 -0.050 0.000 0.859 474 N CB -0.579 37.873 38.487 -0.059 0.000 0.982 474 N HN 0.549 nan 8.380 nan 0.000 0.493 475 C N 0.304 119.518 119.300 -0.143 0.000 4.331 475 C HA -0.173 4.289 4.460 0.003 0.000 0.293 475 C C -0.273 174.075 174.990 -1.070 0.000 1.436 475 C CA 0.592 59.383 59.018 -0.378 0.000 1.993 475 C CB -2.832 24.785 27.740 -0.205 0.000 1.266 475 C HN 0.634 nan 8.230 nan 0.000 0.795 476 Q N -2.507 116.703 119.800 -0.982 0.000 2.501 476 Q HA 0.527 4.868 4.340 0.003 0.000 0.288 476 Q C -0.982 174.707 176.000 -0.518 0.000 1.051 476 Q CA -0.798 54.405 55.803 -1.000 0.000 0.788 476 Q CB 1.108 29.576 28.738 -0.451 0.000 1.469 476 Q HN 0.290 nan 8.270 nan 0.000 0.416 477 Y N 1.142 121.415 120.300 -0.046 0.000 2.570 477 Y HA 0.171 4.723 4.550 0.003 0.000 0.336 477 Y C 1.335 177.248 175.900 0.021 0.000 1.284 477 Y CA -0.167 58.013 58.100 0.133 0.000 1.761 477 Y CB -0.243 38.337 38.460 0.200 0.000 1.724 477 Y HN 0.944 nan 8.280 nan 0.000 0.455 478 G N 1.214 110.084 108.800 0.116 0.000 2.421 478 G HA2 -0.318 3.644 3.960 0.003 0.000 0.216 478 G HA3 -0.318 3.644 3.960 0.003 0.000 0.216 478 G C 1.602 176.550 174.900 0.080 0.000 1.171 478 G CA 0.366 45.482 45.100 0.027 0.000 0.775 478 G HN 0.563 nan 8.290 nan 0.000 0.543 479 F N 1.154 121.128 119.950 0.041 0.000 2.115 479 F HA -0.169 4.360 4.527 0.003 0.000 0.300 479 F C 2.399 178.223 175.800 0.041 0.000 1.092 479 F CA 1.323 59.346 58.000 0.039 0.000 1.245 479 F CB 0.101 39.119 39.000 0.030 0.000 0.995 479 F HN 0.030 nan 8.300 nan 0.000 0.481 480 I N -0.108 120.571 120.570 0.182 0.000 2.406 480 I HA -0.187 3.985 4.170 0.003 0.000 0.249 480 I C 2.278 178.416 176.117 0.035 0.000 1.122 480 I CA 1.001 62.362 61.300 0.101 0.000 1.431 480 I CB -1.471 36.616 38.000 0.144 0.000 1.087 480 I HN 0.154 nan 8.210 nan 0.000 0.424 481 K N 1.224 121.616 120.400 -0.014 0.000 2.044 481 K HA -0.243 4.079 4.320 0.003 0.000 0.210 481 K C 1.603 178.145 176.600 -0.097 0.000 1.049 481 K CA 2.057 58.236 56.287 -0.181 0.000 0.927 481 K CB 0.037 32.299 32.500 -0.396 0.000 0.713 481 K HN 0.236 nan 8.250 nan 0.000 0.443 482 D N 0.489 120.825 120.400 -0.106 0.000 2.144 482 D HA -0.147 4.495 4.640 0.003 0.000 0.199 482 D C 1.738 178.008 176.300 -0.051 0.000 0.984 482 D CA 1.147 55.104 54.000 -0.072 0.000 0.834 482 D CB -0.118 40.599 40.800 -0.138 0.000 0.955 482 D HN 0.417 nan 8.370 nan 0.000 0.465 483 E N 0.595 120.729 120.200 -0.110 0.000 2.077 483 E HA -0.169 4.183 4.350 0.003 0.000 0.193 483 E C 2.156 178.785 176.600 0.049 0.000 0.989 483 E CA 0.744 57.112 56.400 -0.053 0.000 0.800 483 E CB -0.069 29.593 29.700 -0.062 0.000 0.746 483 E HN 0.390 nan 8.360 nan 0.000 0.452 484 Q N 0.493 120.368 119.800 0.124 0.000 2.167 484 Q HA -0.178 4.164 4.340 0.003 0.000 0.202 484 Q C 2.114 178.231 176.000 0.195 0.000 0.970 484 Q CA 0.854 56.768 55.803 0.186 0.000 0.855 484 Q CB -0.031 28.896 28.738 0.316 0.000 0.911 484 Q HN 0.309 nan 8.270 nan 0.000 0.438 485 E N 0.972 121.365 120.200 0.322 0.000 2.058 485 E HA -0.227 4.125 4.350 0.003 0.000 0.194 485 E C 1.046 177.703 176.600 0.096 0.000 0.997 485 E CA 1.428 57.972 56.400 0.240 0.000 0.801 485 E CB 0.154 30.039 29.700 0.309 0.000 0.746 485 E HN 0.331 nan 8.360 nan 0.000 0.450 486 D N -1.037 119.409 120.400 0.077 0.000 2.269 486 D HA -0.097 4.544 4.640 0.003 0.000 0.208 486 D C 1.769 178.087 176.300 0.030 0.000 0.963 486 D CA 1.672 55.699 54.000 0.045 0.000 0.864 486 D CB 0.110 40.928 40.800 0.029 0.000 0.936 486 D HN 0.376 nan 8.370 nan 0.000 0.505 487 T N -3.811 110.761 114.554 0.030 0.000 3.010 487 T HA 0.108 4.459 4.350 0.003 0.000 0.252 487 T C 0.701 175.407 174.700 0.009 0.000 0.963 487 T CA -0.451 61.660 62.100 0.019 0.000 0.952 487 T CB 0.319 69.201 68.868 0.022 0.000 1.182 487 T HN -0.201 nan 8.240 nan 0.000 0.495 488 N N 1.595 120.299 118.700 0.007 0.000 2.495 488 N HA 0.506 5.248 4.740 0.003 0.000 0.280 488 N C 0.676 176.157 175.510 -0.048 0.000 1.168 488 N CA -0.471 52.572 53.050 -0.012 0.000 0.978 488 N CB 1.344 39.832 38.487 0.002 0.000 1.191 488 N HN 0.329 nan 8.380 nan 0.000 0.497 489 Q N -0.353 119.418 119.800 -0.049 0.000 2.423 489 Q HA 0.246 4.588 4.340 0.003 0.000 0.231 489 Q C -0.305 175.645 176.000 -0.084 0.000 0.894 489 Q CA 0.219 55.986 55.803 -0.060 0.000 0.938 489 Q CB 0.407 29.123 28.738 -0.037 0.000 1.079 489 Q HN 0.523 nan 8.270 nan 0.000 0.552 490 N N 1.026 119.681 118.700 -0.075 0.000 2.448 490 N HA 0.109 4.851 4.740 0.003 0.000 0.274 490 N C -0.678 174.754 175.510 -0.131 0.000 1.239 490 N CA -0.300 52.703 53.050 -0.079 0.000 0.982 490 N CB 0.400 38.864 38.487 -0.038 0.000 1.199 490 N HN -0.038 nan 8.380 nan 0.000 0.576 491 D N 0.236 120.571 120.400 -0.109 0.000 2.423 491 D HA 0.062 4.704 4.640 0.003 0.000 0.238 491 D C 0.275 176.527 176.300 -0.080 0.000 1.142 491 D CA 0.315 54.228 54.000 -0.144 0.000 0.884 491 D CB 0.120 40.891 40.800 -0.048 0.000 1.199 491 D HN 0.176 nan 8.370 nan 0.000 0.438 492 F N 0.766 120.723 119.950 0.012 0.000 2.650 492 F HA 0.068 4.597 4.527 0.003 0.000 0.355 492 F C 1.012 176.829 175.800 0.028 0.000 1.163 492 F CA 0.391 58.402 58.000 0.018 0.000 1.374 492 F CB -0.021 38.986 39.000 0.010 0.000 1.065 492 F HN 0.135 nan 8.300 nan 0.000 0.616 493 I N 0.647 121.379 120.570 0.271 0.000 2.710 493 I HA 0.432 4.604 4.170 0.003 0.000 0.290 493 I C 0.323 176.543 176.117 0.173 0.000 1.318 493 I CA -0.118 61.286 61.300 0.173 0.000 1.045 493 I CB 1.727 39.799 38.000 0.120 0.000 1.307 493 I HN 0.684 nan 8.210 nan 0.000 0.424 494 G N 4.442 113.344 108.800 0.169 0.000 2.166 494 G HA2 -0.273 3.689 3.960 0.003 0.000 0.260 494 G HA3 -0.273 3.689 3.960 0.003 0.000 0.260 494 G C 0.480 175.568 174.900 0.314 0.000 0.986 494 G CA 0.825 46.059 45.100 0.223 0.000 0.683 494 G HN 1.335 nan 8.290 nan 0.000 0.527 495 V N -3.595 116.439 119.914 0.200 0.000 3.661 495 V HA 0.506 4.628 4.120 0.003 0.000 0.271 495 V C 0.511 176.517 176.094 -0.148 0.000 1.315 495 V CA 0.821 63.201 62.300 0.133 0.000 1.072 495 V CB 0.269 32.115 31.823 0.039 0.000 0.830 495 V HN 0.387 nan 8.190 nan 0.000 0.443 496 E N 1.527 121.643 120.200 -0.140 0.000 2.210 496 E HA 0.674 5.025 4.350 0.003 0.000 0.266 496 E C -1.332 175.152 176.600 -0.192 0.000 0.883 496 E CA -0.613 55.587 56.400 -0.334 0.000 0.761 496 E CB 2.303 31.876 29.700 -0.210 0.000 1.156 496 E HN 0.487 nan 8.360 nan 0.000 0.412 497 F N -0.921 118.957 119.950 -0.120 0.000 2.692 497 F HA 0.522 5.051 4.527 0.003 0.000 0.320 497 F C -0.333 175.421 175.800 -0.076 0.000 1.123 497 F CA -1.682 56.258 58.000 -0.100 0.000 0.961 497 F CB 0.248 39.156 39.000 -0.153 0.000 1.383 497 F HN 0.082 nan 8.300 nan 0.000 0.483 498 N N 0.722 119.578 118.700 0.260 0.000 2.416 498 N HA 0.108 4.850 4.740 0.003 0.000 0.246 498 N C -0.997 174.631 175.510 0.197 0.000 1.260 498 N CA -0.046 53.096 53.050 0.153 0.000 0.897 498 N CB 0.147 38.680 38.487 0.077 0.000 1.110 498 N HN 0.835 nan 8.380 nan 0.000 0.439 499 D N 0.083 120.543 120.400 0.100 0.000 2.372 499 D HA 0.279 4.921 4.640 0.003 0.000 0.243 499 D C -0.612 175.705 176.300 0.028 0.000 1.121 499 D CA 0.036 54.089 54.000 0.088 0.000 0.898 499 D CB 0.464 41.290 40.800 0.044 0.000 1.202 499 D HN 0.302 nan 8.370 nan 0.000 0.428 500 I N 2.297 122.871 120.570 0.008 0.000 2.509 500 I HA 0.188 4.359 4.170 0.003 0.000 0.293 500 I C -0.783 175.244 176.117 -0.150 0.000 1.020 500 I CA -0.945 60.251 61.300 -0.173 0.000 1.088 500 I CB 1.978 39.733 38.000 -0.409 0.000 1.267 500 I HN 0.380 nan 8.210 nan 0.000 0.430 501 D N 5.555 125.853 120.400 -0.169 0.000 2.428 501 D HA 0.209 4.851 4.640 0.003 0.000 0.221 501 D C 0.398 176.630 176.300 -0.114 0.000 1.123 501 D CA -0.153 53.810 54.000 -0.061 0.000 0.869 501 D CB 0.618 41.396 40.800 -0.037 0.000 1.032 501 D HN 0.285 nan 8.370 nan 0.000 0.506 502 F N 1.539 121.486 119.950 -0.005 0.000 2.502 502 F HA -0.120 4.408 4.527 0.003 0.000 0.298 502 F C 2.660 178.445 175.800 -0.025 0.000 1.111 502 F CA 0.721 58.715 58.000 -0.010 0.000 1.445 502 F CB -0.026 38.977 39.000 0.005 0.000 1.081 502 F HN 0.389 nan 8.300 nan 0.000 0.558 503 S N 0.260 116.032 115.700 0.119 0.000 2.368 503 S HA -0.222 4.249 4.470 0.003 0.000 0.225 503 S C 1.916 176.504 174.600 -0.020 0.000 1.030 503 S CA 1.080 59.298 58.200 0.030 0.000 0.999 503 S CB -0.502 62.704 63.200 0.010 0.000 0.844 503 S HN 0.384 nan 8.310 nan 0.000 0.459 504 K N 0.664 121.045 120.400 -0.033 0.000 2.097 504 K HA 0.068 4.390 4.320 0.003 0.000 0.205 504 K C 2.083 178.635 176.600 -0.079 0.000 1.050 504 K CA 1.210 57.461 56.287 -0.061 0.000 0.938 504 K CB -0.365 32.094 32.500 -0.068 0.000 0.718 504 K HN 0.326 nan 8.250 nan 0.000 0.442 505 I N 1.436 121.949 120.570 -0.095 0.000 2.163 505 I HA -0.248 3.924 4.170 0.003 0.000 0.243 505 I C 2.506 178.594 176.117 -0.048 0.000 1.085 505 I CA 1.425 62.668 61.300 -0.095 0.000 1.347 505 I CB -1.418 36.505 38.000 -0.127 0.000 1.044 505 I HN 0.107 nan 8.210 nan 0.000 0.408 506 A N 0.372 123.189 122.820 -0.005 0.000 1.930 506 A HA -0.250 4.072 4.320 0.003 0.000 0.217 506 A C 2.126 179.669 177.584 -0.068 0.000 1.175 506 A CA 1.955 53.981 52.037 -0.017 0.000 0.627 506 A CB -0.691 18.310 19.000 0.002 0.000 0.815 506 A HN 0.402 nan 8.150 nan 0.000 0.443 507 D N -0.205 120.151 120.400 -0.073 0.000 2.144 507 D HA -0.076 4.566 4.640 0.003 0.000 0.199 507 D C 2.017 178.235 176.300 -0.136 0.000 0.984 507 D CA 1.534 55.490 54.000 -0.073 0.000 0.834 507 D CB -0.589 40.176 40.800 -0.057 0.000 0.955 507 D HN 0.306 nan 8.370 nan 0.000 0.465 508 G N 0.290 108.995 108.800 -0.158 0.000 2.505 508 G HA2 -0.238 3.724 3.960 0.003 0.000 0.220 508 G HA3 -0.238 3.724 3.960 0.003 0.000 0.220 508 G C 1.537 176.160 174.900 -0.461 0.000 1.145 508 G CA 1.694 46.657 45.100 -0.229 0.000 0.761 508 G HN 0.440 nan 8.290 nan 0.000 0.571 509 V N -3.961 115.730 119.914 -0.372 0.000 3.542 509 V HA 0.312 4.434 4.120 0.003 0.000 0.296 509 V C 0.761 176.642 176.094 -0.355 0.000 1.364 509 V CA 0.262 62.333 62.300 -0.381 0.000 1.118 509 V CB -0.982 30.753 31.823 -0.147 0.000 0.972 509 V HN 0.548 nan 8.190 nan 0.000 0.430 510 H N -1.065 117.984 119.070 -0.035 0.000 2.933 510 H HA -0.141 4.417 4.556 0.003 0.000 0.301 510 H C -0.111 175.193 175.328 -0.041 0.000 1.280 510 H CA 1.184 57.208 56.048 -0.039 0.000 1.155 510 H CB -1.651 28.088 29.762 -0.038 0.000 1.379 510 H HN 0.719 nan 8.280 nan 0.000 0.419 511 M N 0.739 120.343 119.600 0.007 0.000 2.364 511 M HA 0.309 4.791 4.480 0.003 0.000 0.334 511 M C 0.371 176.644 176.300 -0.046 0.000 1.107 511 M CA -0.624 54.672 55.300 -0.007 0.000 0.988 511 M CB 1.893 34.486 32.600 -0.012 0.000 1.673 511 M HN 0.288 nan 8.290 nan 0.000 0.441 512 Q N 2.848 122.610 119.800 -0.063 0.000 2.364 512 Q HA 0.551 4.892 4.340 0.003 0.000 0.267 512 Q C -1.402 174.453 176.000 -0.242 0.000 0.999 512 Q CA 0.239 55.944 55.803 -0.163 0.000 0.886 512 Q CB 0.819 29.478 28.738 -0.133 0.000 1.243 512 Q HN 0.804 nan 8.270 nan 0.000 0.415 513 A N 2.902 125.444 122.820 -0.464 0.000 2.586 513 A HA 0.780 5.102 4.320 0.003 0.000 0.290 513 A C -1.935 175.230 177.584 -0.698 0.000 1.086 513 A CA -0.684 51.113 52.037 -0.400 0.000 0.665 513 A CB 1.044 19.962 19.000 -0.137 0.000 1.279 513 A HN 0.630 nan 8.150 nan 0.000 0.423 514 F N -0.629 119.296 119.950 -0.041 0.000 2.619 514 F HA 0.766 5.294 4.527 0.003 0.000 0.308 514 F C -0.065 175.711 175.800 -0.040 0.000 1.097 514 F CA -0.347 57.625 58.000 -0.047 0.000 0.953 514 F CB 2.438 41.388 39.000 -0.083 0.000 1.287 514 F HN 0.721 nan 8.300 nan 0.000 0.446 515 R N 1.721 122.318 120.500 0.161 0.000 2.621 515 R HA 0.894 5.236 4.340 0.003 0.000 0.292 515 R C -1.998 174.349 176.300 0.078 0.000 0.969 515 R CA -0.720 55.436 56.100 0.093 0.000 0.887 515 R CB 1.913 32.252 30.300 0.065 0.000 1.180 515 R HN 0.635 nan 8.270 nan 0.000 0.450 516 V N 1.639 121.580 119.914 0.044 0.000 2.876 516 V HA 0.592 4.713 4.120 0.003 0.000 0.312 516 V C -0.595 175.507 176.094 0.012 0.000 1.085 516 V CA -0.343 61.974 62.300 0.029 0.000 0.945 516 V CB 2.009 33.849 31.823 0.028 0.000 1.017 516 V HN 1.084 nan 8.190 nan 0.000 0.428 517 N N 1.033 119.738 118.700 0.009 0.000 2.116 517 N HA 0.343 5.085 4.740 0.003 0.000 0.230 517 N C -0.280 175.226 175.510 -0.006 0.000 1.326 517 N CA -0.772 52.277 53.050 -0.002 0.000 0.867 517 N CB 0.863 39.351 38.487 0.001 0.000 1.174 517 N HN 0.666 nan 8.380 nan 0.000 0.506 518 K N 0.369 120.768 120.400 -0.002 0.000 2.422 518 K HA 0.416 4.738 4.320 0.003 0.000 0.251 518 K C 0.411 177.007 176.600 -0.006 0.000 0.933 518 K CA -0.757 55.527 56.287 -0.005 0.000 0.798 518 K CB 2.290 34.789 32.500 -0.001 0.000 1.238 518 K HN -0.072 nan 8.250 nan 0.000 0.428 519 I N 2.063 122.625 120.570 -0.013 0.000 2.145 519 I HA -0.370 3.802 4.170 0.003 0.000 0.244 519 I C 2.263 178.371 176.117 -0.014 0.000 1.075 519 I CA 1.570 62.859 61.300 -0.019 0.000 1.332 519 I CB -0.149 37.838 38.000 -0.021 0.000 1.033 519 I HN 0.738 nan 8.210 nan 0.000 0.410 520 E N 1.381 121.575 120.200 -0.009 0.000 2.409 520 E HA -0.244 4.107 4.350 0.003 0.000 0.198 520 E C 1.659 178.260 176.600 0.000 0.000 1.024 520 E CA 0.958 57.354 56.400 -0.006 0.000 0.861 520 E CB -0.463 29.234 29.700 -0.005 0.000 0.788 520 E HN 0.657 nan 8.360 nan 0.000 0.521 521 Q N 0.479 120.284 119.800 0.007 0.000 2.369 521 Q HA 0.074 4.415 4.340 0.003 0.000 0.206 521 Q C 2.381 178.400 176.000 0.032 0.000 0.963 521 Q CA 0.508 56.318 55.803 0.013 0.000 0.894 521 Q CB -0.094 28.653 28.738 0.015 0.000 0.965 521 Q HN 0.298 nan 8.270 nan 0.000 0.475 522 L N 0.641 121.894 121.223 0.049 0.000 1.994 522 L HA -0.162 4.180 4.340 0.003 0.000 0.208 522 L C -0.606 176.344 176.870 0.135 0.000 1.071 522 L CA 1.379 56.292 54.840 0.122 0.000 0.745 522 L CB -1.555 40.502 42.059 -0.003 0.000 0.892 522 L HN 0.128 nan 8.230 nan 0.000 0.431 523 P HA -0.187 nan 4.420 nan 0.000 0.215 523 P C 0.765 178.092 177.300 0.045 0.000 1.163 523 P CA 1.699 64.814 63.100 0.026 0.000 0.894 523 P CB -0.008 31.691 31.700 -0.000 0.000 0.791 524 D N -1.489 118.917 120.400 0.011 0.000 2.123 524 D HA -0.091 4.550 4.640 0.003 0.000 0.200 524 D C 1.882 178.117 176.300 -0.108 0.000 0.976 524 D CA 0.699 54.681 54.000 -0.029 0.000 0.831 524 D CB -0.706 40.075 40.800 -0.033 0.000 0.974 524 D HN -0.090 nan 8.370 nan 0.000 0.469 525 V N 0.370 120.192 119.914 -0.154 0.000 2.407 525 V HA -0.230 3.891 4.120 0.003 0.000 0.248 525 V C 1.741 177.575 176.094 -0.433 0.000 1.055 525 V CA 1.357 63.382 62.300 -0.458 0.000 1.049 525 V CB -0.535 31.026 31.823 -0.437 0.000 0.662 525 V HN 0.175 nan 8.190 nan 0.000 0.455 526 F N 0.298 120.133 119.950 -0.191 0.000 2.293 526 F HA -0.057 4.472 4.527 0.003 0.000 0.300 526 F C 2.446 178.206 175.800 -0.067 0.000 1.086 526 F CA 1.049 58.994 58.000 -0.093 0.000 1.375 526 F CB -0.245 38.740 39.000 -0.025 0.000 1.045 526 F HN 0.200 nan 8.300 nan 0.000 0.516 527 E N -0.112 120.120 120.200 0.054 0.000 2.170 527 E HA -0.124 4.228 4.350 0.003 0.000 0.191 527 E C 2.032 178.623 176.600 -0.015 0.000 0.981 527 E CA 0.623 57.043 56.400 0.032 0.000 0.830 527 E CB -0.534 29.182 29.700 0.026 0.000 0.775 527 E HN 0.533 nan 8.360 nan 0.000 0.470 528 Q N 0.737 120.478 119.800 -0.099 0.000 2.046 528 Q HA -0.022 4.319 4.340 0.003 0.000 0.200 528 Q C 2.248 178.230 176.000 -0.030 0.000 0.975 528 Q CA 1.363 57.117 55.803 -0.081 0.000 0.836 528 Q CB -0.195 28.426 28.738 -0.196 0.000 0.896 528 Q HN 0.242 nan 8.270 nan 0.000 0.428 529 A N 1.757 124.498 122.820 -0.131 0.000 1.883 529 A HA -0.271 4.051 4.320 0.003 0.000 0.217 529 A C 2.022 179.606 177.584 -0.001 0.000 1.186 529 A CA 1.863 53.878 52.037 -0.038 0.000 0.624 529 A CB -0.547 18.350 19.000 -0.172 0.000 0.822 529 A HN 0.251 nan 8.150 nan 0.000 0.444 530 K N -0.438 119.971 120.400 0.016 0.000 2.063 530 K HA -0.126 4.195 4.320 0.003 0.000 0.208 530 K C 2.067 178.669 176.600 0.003 0.000 1.048 530 K CA 1.412 57.712 56.287 0.023 0.000 0.928 530 K CB -0.316 32.225 32.500 0.069 0.000 0.713 530 K HN 0.387 nan 8.250 nan 0.000 0.442 531 A N 0.811 123.644 122.820 0.020 0.000 1.930 531 A HA -0.031 4.290 4.320 0.003 0.000 0.215 531 A C 2.026 179.640 177.584 0.049 0.000 1.176 531 A CA 1.029 53.084 52.037 0.030 0.000 0.632 531 A CB -0.386 18.641 19.000 0.044 0.000 0.819 531 A HN 0.310 nan 8.150 nan 0.000 0.445 532 I N 0.154 120.766 120.570 0.069 0.000 2.226 532 I HA -0.257 3.915 4.170 0.003 0.000 0.245 532 I C 2.665 178.815 176.117 0.056 0.000 1.100 532 I CA 1.211 62.567 61.300 0.093 0.000 1.374 532 I CB -0.162 37.911 38.000 0.123 0.000 1.057 532 I HN 0.302 nan 8.210 nan 0.000 0.413 533 A N -0.120 122.702 122.820 0.004 0.000 2.248 533 A HA -0.125 4.196 4.320 0.003 0.000 0.210 533 A C 2.023 179.549 177.584 -0.097 0.000 1.174 533 A CA 0.709 52.718 52.037 -0.048 0.000 0.750 533 A CB -0.350 18.590 19.000 -0.100 0.000 0.780 533 A HN 0.380 nan 8.150 nan 0.000 0.478 534 Q N -0.727 118.995 119.800 -0.131 0.000 2.291 534 Q HA -0.155 4.187 4.340 0.003 0.000 0.206 534 Q C 0.768 176.463 176.000 -0.509 0.000 0.976 534 Q CA 1.878 57.488 55.803 -0.321 0.000 0.875 534 Q CB -0.230 28.269 28.738 -0.399 0.000 0.927 534 Q HN 0.969 nan 8.270 nan 0.000 0.450 535 H N -1.966 117.105 119.070 0.002 0.000 3.580 535 H HA 0.253 4.811 4.556 0.003 0.000 0.245 535 H C -0.134 175.211 175.328 0.029 0.000 1.015 535 H CA -0.121 55.931 56.048 0.008 0.000 1.113 535 H CB 1.212 30.976 29.762 0.003 0.000 1.469 535 H HN -0.103 nan 8.280 nan 0.000 0.554 536 E N 0.827 121.108 120.200 0.135 0.000 2.390 536 E HA 0.252 4.603 4.350 0.003 0.000 0.277 536 E C -2.779 173.857 176.600 0.059 0.000 0.939 536 E CA -2.312 54.154 56.400 0.111 0.000 0.769 536 E CB 2.362 32.130 29.700 0.113 0.000 1.251 536 E HN -0.058 nan 8.360 nan 0.000 0.450 537 P HA 0.090 nan 4.420 nan 0.000 0.269 537 P C -0.376 176.937 177.300 0.022 0.000 1.217 537 P CA -0.106 63.007 63.100 0.021 0.000 0.783 537 P CB 0.929 32.641 31.700 0.020 0.000 0.898 538 V N 2.478 122.403 119.914 0.018 0.000 3.178 538 V HA 0.630 4.752 4.120 0.003 0.000 0.302 538 V C -1.759 174.355 176.094 0.033 0.000 1.262 538 V CA -1.005 61.315 62.300 0.032 0.000 1.030 538 V CB 2.278 34.151 31.823 0.084 0.000 1.074 538 V HN 0.479 nan 8.190 nan 0.000 0.438 539 L N 4.633 125.881 121.223 0.041 0.000 2.431 539 L HA 0.741 5.082 4.340 0.003 0.000 0.266 539 L C -1.480 175.433 176.870 0.071 0.000 0.978 539 L CA -0.425 54.440 54.840 0.042 0.000 0.822 539 L CB 1.926 44.007 42.059 0.038 0.000 1.310 539 L HN 0.718 nan 8.230 nan 0.000 0.409 540 I N 3.759 124.335 120.570 0.009 0.000 2.382 540 I HA 0.290 4.462 4.170 0.003 0.000 0.286 540 I C -0.942 175.152 176.117 -0.039 0.000 1.002 540 I CA -0.337 60.946 61.300 -0.028 0.000 1.135 540 I CB 1.597 39.440 38.000 -0.262 0.000 1.288 540 I HN 0.491 nan 8.210 nan 0.000 0.448 541 D N 6.694 127.103 120.400 0.015 0.000 2.380 541 D HA 0.422 5.063 4.640 0.003 0.000 0.230 541 D C -0.382 175.906 176.300 -0.019 0.000 1.154 541 D CA -0.216 53.796 54.000 0.021 0.000 0.859 541 D CB 1.230 42.111 40.800 0.135 0.000 1.045 541 D HN 0.542 nan 8.370 nan 0.000 0.495 542 A N 4.253 127.007 122.820 -0.111 0.000 2.294 542 A HA 0.429 4.751 4.320 0.003 0.000 0.316 542 A C -0.175 177.354 177.584 -0.091 0.000 1.359 542 A CA -0.724 51.233 52.037 -0.134 0.000 0.956 542 A CB 0.565 19.389 19.000 -0.294 0.000 1.155 542 A HN 0.410 nan 8.150 nan 0.000 0.544 543 V N 5.691 125.585 119.914 -0.034 0.000 2.387 543 V HA 0.196 4.318 4.120 0.003 0.000 0.260 543 V C 0.494 176.569 176.094 -0.032 0.000 1.054 543 V CA 0.252 62.544 62.300 -0.013 0.000 0.967 543 V CB -0.790 31.036 31.823 0.005 0.000 1.036 543 V HN 0.740 nan 8.190 nan 0.000 0.481 544 I N 2.270 122.820 120.570 -0.034 0.000 2.924 544 I HA 0.767 4.938 4.170 0.003 0.000 0.316 544 I C 0.828 176.916 176.117 -0.049 0.000 1.014 544 I CA -0.615 60.655 61.300 -0.049 0.000 1.106 544 I CB 1.798 39.775 38.000 -0.039 0.000 1.311 544 I HN 0.534 nan 8.210 nan 0.000 0.502 545 T N -0.435 114.080 114.554 -0.066 0.000 2.698 545 T HA 0.324 4.676 4.350 0.003 0.000 0.295 545 T C 0.880 175.539 174.700 -0.069 0.000 1.007 545 T CA -0.150 61.913 62.100 -0.062 0.000 0.980 545 T CB 0.782 69.614 68.868 -0.059 0.000 1.036 545 T HN 0.926 nan 8.240 nan 0.000 0.526 546 G N -0.054 108.705 108.800 -0.068 0.000 3.591 546 G HA2 0.210 4.172 3.960 0.003 0.000 0.282 546 G HA3 0.210 4.172 3.960 0.003 0.000 0.282 546 G C -0.172 174.693 174.900 -0.057 0.000 1.238 546 G CA -0.472 44.581 45.100 -0.078 0.000 0.993 546 G HN 0.707 nan 8.290 nan 0.000 0.542 547 D N 0.863 121.238 120.400 -0.041 0.000 2.348 547 D HA 0.095 4.737 4.640 0.003 0.000 0.253 547 D C 0.515 176.845 176.300 0.049 0.000 1.161 547 D CA -0.045 53.955 54.000 0.000 0.000 0.876 547 D CB 1.511 42.325 40.800 0.024 0.000 1.160 547 D HN 0.155 nan 8.370 nan 0.000 0.459 548 R N 3.506 124.063 120.500 0.095 0.000 2.449 548 R HA 0.144 4.486 4.340 0.003 0.000 0.296 548 R C -2.263 174.243 176.300 0.343 0.000 1.047 548 R CA -0.955 55.258 56.100 0.189 0.000 1.018 548 R CB 0.330 30.766 30.300 0.226 0.000 0.962 548 R HN 0.119 nan 8.270 nan 0.000 0.428 549 P HA -0.072 nan 4.420 nan 0.000 0.269 549 P C -0.694 176.710 177.300 0.173 0.000 1.215 549 P CA -0.251 63.050 63.100 0.335 0.000 0.780 549 P CB 0.477 32.352 31.700 0.291 0.000 0.898 550 L N 4.320 125.594 121.223 0.085 0.000 2.462 550 L HA 0.242 4.584 4.340 0.003 0.000 0.272 550 L C -2.039 174.728 176.870 -0.171 0.000 1.166 550 L CA -1.532 53.061 54.840 -0.410 0.000 0.880 550 L CB 0.107 42.083 42.059 -0.138 0.000 1.142 550 L HN 0.271 nan 8.230 nan 0.000 0.473 551 P HA 0.108 nan 4.420 nan 0.000 0.277 551 P C 0.002 177.297 177.300 -0.009 0.000 1.354 551 P CA -0.285 62.776 63.100 -0.066 0.000 0.891 551 P CB 1.359 33.033 31.700 -0.043 0.000 1.058 552 A N 4.133 126.951 122.820 -0.003 0.000 2.178 552 A HA -0.141 4.181 4.320 0.003 0.000 0.218 552 A C 1.612 179.157 177.584 -0.065 0.000 1.157 552 A CA 1.191 53.184 52.037 -0.073 0.000 0.689 552 A CB -0.537 18.377 19.000 -0.143 0.000 0.787 552 A HN 0.540 nan 8.150 nan 0.000 0.465 553 E N -0.221 119.969 120.200 -0.016 0.000 2.526 553 E HA 0.066 4.417 4.350 0.003 0.000 0.208 553 E C 0.075 176.677 176.600 0.002 0.000 0.997 553 E CA 0.179 56.573 56.400 -0.010 0.000 0.961 553 E CB -0.073 29.637 29.700 0.015 0.000 1.030 553 E HN 0.485 nan 8.360 nan 0.000 0.483 554 K N 1.611 122.027 120.400 0.026 0.000 3.167 554 K HA 0.363 4.684 4.320 0.003 0.000 0.208 554 K C -0.026 176.615 176.600 0.068 0.000 1.159 554 K CA -0.300 56.020 56.287 0.055 0.000 1.018 554 K CB 0.819 33.379 32.500 0.099 0.000 0.927 554 K HN 0.029 nan 8.250 nan 0.000 0.476 555 L N 1.447 122.626 121.223 -0.073 0.000 2.461 555 L HA 0.143 4.485 4.340 0.003 0.000 0.272 555 L C 0.754 177.279 176.870 -0.575 0.000 1.197 555 L CA 0.178 54.809 54.840 -0.349 0.000 0.836 555 L CB 0.269 42.163 42.059 -0.275 0.000 1.105 555 L HN 0.126 nan 8.230 nan 0.000 0.477 556 R N 5.010 124.757 120.500 -1.256 0.000 2.644 556 R HA 0.301 4.642 4.340 0.003 0.000 0.271 556 R C -0.237 175.638 176.300 -0.708 0.000 1.687 556 R CA -0.096 55.532 56.100 -0.785 0.000 1.655 556 R CB 0.616 30.606 30.300 -0.516 0.000 1.285 556 R HN 0.681 nan 8.270 nan 0.000 0.643 557 L N -0.863 120.086 121.223 -0.457 0.000 3.039 557 L HA 0.288 4.630 4.340 0.003 0.000 0.269 557 L C 0.141 176.910 176.870 -0.169 0.000 1.169 557 L CA 0.066 54.742 54.840 -0.274 0.000 0.986 557 L CB 0.745 42.660 42.059 -0.241 0.000 1.377 557 L HN 0.140 nan 8.230 nan 0.000 0.575 558 D N -0.234 120.068 120.400 -0.164 0.000 2.344 558 D HA 0.129 4.771 4.640 0.003 0.000 0.239 558 D C 0.772 177.017 176.300 -0.092 0.000 1.064 558 D CA 0.127 54.056 54.000 -0.118 0.000 0.829 558 D CB 2.233 42.966 40.800 -0.112 0.000 1.129 558 D HN -0.198 nan 8.370 nan 0.000 0.506 559 S N 2.644 118.300 115.700 -0.074 0.000 2.399 559 S HA -0.140 4.332 4.470 0.003 0.000 0.231 559 S C 1.835 176.405 174.600 -0.049 0.000 1.022 559 S CA 1.430 59.596 58.200 -0.056 0.000 0.983 559 S CB 0.058 63.229 63.200 -0.048 0.000 0.803 559 S HN 0.590 nan 8.310 nan 0.000 0.480 560 A N 1.251 124.040 122.820 -0.052 0.000 2.121 560 A HA 0.051 4.372 4.320 0.003 0.000 0.218 560 A C 1.984 179.543 177.584 -0.041 0.000 1.154 560 A CA 1.505 53.516 52.037 -0.043 0.000 0.679 560 A CB -0.288 18.687 19.000 -0.042 0.000 0.795 560 A HN 0.727 nan 8.150 nan 0.000 0.458 561 M N -3.031 116.538 119.600 -0.051 0.000 2.260 561 M HA 0.287 4.769 4.480 0.003 0.000 0.295 561 M C -0.118 176.152 176.300 -0.050 0.000 1.042 561 M CA 0.300 55.571 55.300 -0.048 0.000 1.116 561 M CB 0.117 32.684 32.600 -0.054 0.000 1.796 561 M HN 0.044 nan 8.290 nan 0.000 0.617 562 S N 1.675 117.339 115.700 -0.060 0.000 2.513 562 S HA 0.493 4.964 4.470 0.003 0.000 0.299 562 S C -0.094 174.482 174.600 -0.040 0.000 1.087 562 S CA -0.625 57.541 58.200 -0.055 0.000 1.012 562 S CB 2.500 65.647 63.200 -0.088 0.000 1.044 562 S HN 0.397 nan 8.310 nan 0.000 0.485 563 S N 1.677 117.363 115.700 -0.024 0.000 2.566 563 S HA 0.218 4.690 4.470 0.003 0.000 0.280 563 S C 1.321 175.914 174.600 -0.011 0.000 1.343 563 S CA -0.019 58.173 58.200 -0.013 0.000 1.036 563 S CB 0.468 63.666 63.200 -0.003 0.000 0.866 563 S HN 0.883 nan 8.310 nan 0.000 0.526 564 A N 3.704 126.521 122.820 -0.006 0.000 2.016 564 A HA 0.311 4.632 4.320 0.003 0.000 0.217 564 A C 2.327 179.918 177.584 0.012 0.000 1.162 564 A CA 1.295 53.331 52.037 -0.002 0.000 0.662 564 A CB -1.244 17.754 19.000 -0.004 0.000 0.812 564 A HN 1.275 nan 8.150 nan 0.000 0.450 565 A N 0.111 122.940 122.820 0.015 0.000 1.929 565 A HA -0.084 4.237 4.320 0.003 0.000 0.216 565 A C 1.679 179.288 177.584 0.041 0.000 1.176 565 A CA 1.667 53.719 52.037 0.024 0.000 0.628 565 A CB -0.353 18.658 19.000 0.019 0.000 0.816 565 A HN 0.403 nan 8.150 nan 0.000 0.444 566 D N 0.054 120.479 120.400 0.041 0.000 2.149 566 D HA -0.042 4.600 4.640 0.003 0.000 0.201 566 D C 1.781 178.142 176.300 0.101 0.000 0.972 566 D CA 0.829 54.870 54.000 0.068 0.000 0.835 566 D CB -0.293 40.535 40.800 0.046 0.000 0.966 566 D HN 0.493 nan 8.370 nan 0.000 0.476 567 I N 0.658 121.259 120.570 0.051 0.000 2.361 567 I HA -0.224 3.948 4.170 0.003 0.000 0.251 567 I C 2.244 178.438 176.117 0.128 0.000 1.133 567 I CA 0.900 62.232 61.300 0.053 0.000 1.413 567 I CB 0.026 38.018 38.000 -0.012 0.000 1.073 567 I HN -0.114 nan 8.210 nan 0.000 0.424 568 E N 1.141 121.396 120.200 0.091 0.000 2.047 568 E HA -0.158 4.194 4.350 0.003 0.000 0.191 568 E C 2.237 178.897 176.600 0.100 0.000 0.987 568 E CA 1.564 58.014 56.400 0.083 0.000 0.799 568 E CB -0.270 29.459 29.700 0.049 0.000 0.752 568 E HN 0.403 nan 8.360 nan 0.000 0.449 569 A N -0.029 122.851 122.820 0.101 0.000 1.908 569 A HA -0.207 4.114 4.320 0.003 0.000 0.218 569 A C 2.254 179.897 177.584 0.098 0.000 1.181 569 A CA 1.652 53.737 52.037 0.079 0.000 0.627 569 A CB -1.015 18.032 19.000 0.078 0.000 0.818 569 A HN 0.432 nan 8.150 nan 0.000 0.445 570 F N 0.789 120.771 119.950 0.054 0.000 2.102 570 F HA -0.160 4.369 4.527 0.003 0.000 0.298 570 F C 2.264 178.164 175.800 0.167 0.000 1.105 570 F CA 2.198 60.289 58.000 0.151 0.000 1.239 570 F CB -0.094 39.007 39.000 0.169 0.000 0.991 570 F HN 0.124 nan 8.300 nan 0.000 0.474 571 K N -0.301 120.326 120.400 0.378 0.000 2.097 571 K HA -0.232 4.090 4.320 0.003 0.000 0.206 571 K C 2.069 178.726 176.600 0.095 0.000 1.049 571 K CA 1.664 58.096 56.287 0.241 0.000 0.933 571 K CB -0.397 32.222 32.500 0.199 0.000 0.717 571 K HN 0.351 nan 8.250 nan 0.000 0.442 572 Q N 1.062 120.888 119.800 0.043 0.000 2.016 572 Q HA -0.122 4.220 4.340 0.003 0.000 0.200 572 Q C 2.193 178.137 176.000 -0.093 0.000 0.978 572 Q CA 1.490 57.287 55.803 -0.010 0.000 0.833 572 Q CB -0.018 28.712 28.738 -0.014 0.000 0.895 572 Q HN 0.165 nan 8.270 nan 0.000 0.427 573 R N -1.105 119.259 120.500 -0.227 0.000 2.096 573 R HA -0.185 4.156 4.340 0.003 0.000 0.240 573 R C 1.033 176.997 176.300 -0.560 0.000 1.139 573 R CA 1.749 57.553 56.100 -0.493 0.000 0.952 573 R CB -0.128 29.675 30.300 -0.828 0.000 0.854 573 R HN 0.335 nan 8.270 nan 0.000 0.436 574 Y N 0.562 120.776 120.300 -0.144 0.000 2.468 574 Y HA 0.215 4.767 4.550 0.003 0.000 0.268 574 Y C -0.203 175.759 175.900 0.103 0.000 1.177 574 Y CA -0.035 58.020 58.100 -0.075 0.000 1.265 574 Y CB 0.159 38.438 38.460 -0.302 0.000 1.103 574 Y HN 0.160 nan 8.280 nan 0.000 0.522 575 E N -0.585 119.703 120.200 0.148 0.000 2.360 575 E HA -0.248 4.104 4.350 0.003 0.000 0.238 575 E C 0.480 177.260 176.600 0.300 0.000 1.186 575 E CA 0.403 56.901 56.400 0.164 0.000 0.719 575 E CB -1.308 28.454 29.700 0.103 0.000 1.236 575 E HN 0.474 nan 8.360 nan 0.000 0.386 576 A N 0.513 123.481 122.820 0.247 0.000 2.842 576 A HA 0.224 4.546 4.320 0.003 0.000 0.298 576 A C 1.392 179.061 177.584 0.142 0.000 1.293 576 A CA -0.252 51.891 52.037 0.177 0.000 0.959 576 A CB 0.325 19.378 19.000 0.088 0.000 1.119 576 A HN 0.129 nan 8.150 nan 0.000 0.564 577 Q N 0.588 120.470 119.800 0.137 0.000 2.050 577 Q HA -0.132 4.210 4.340 0.003 0.000 0.202 577 Q C 0.603 176.651 176.000 0.080 0.000 0.980 577 Q CA 2.054 57.915 55.803 0.097 0.000 0.840 577 Q CB 0.035 28.819 28.738 0.077 0.000 0.898 577 Q HN 0.607 nan 8.270 nan 0.000 0.424 578 D N -0.646 119.811 120.400 0.094 0.000 2.328 578 D HA 0.042 4.684 4.640 0.003 0.000 0.226 578 D C -0.219 176.136 176.300 0.092 0.000 1.066 578 D CA 0.144 54.195 54.000 0.085 0.000 0.861 578 D CB 0.141 40.994 40.800 0.089 0.000 0.912 578 D HN 0.228 nan 8.370 nan 0.000 0.521 579 L N 1.590 122.856 121.223 0.072 0.000 2.331 579 L HA 0.118 4.460 4.340 0.003 0.000 0.278 579 L C 0.185 177.077 176.870 0.036 0.000 1.106 579 L CA -0.177 54.691 54.840 0.046 0.000 0.824 579 L CB 0.969 42.985 42.059 -0.071 0.000 1.142 579 L HN -0.229 nan 8.230 nan 0.000 0.443 580 Q N 5.173 125.007 119.800 0.057 0.000 2.309 580 Q HA 0.486 4.828 4.340 0.003 0.000 0.264 580 Q C -2.283 173.699 176.000 -0.031 0.000 1.008 580 Q CA -2.074 53.705 55.803 -0.040 0.000 0.853 580 Q CB 1.701 30.325 28.738 -0.190 0.000 1.314 580 Q HN 0.357 nan 8.270 nan 0.000 0.448 581 P HA -0.033 nan 4.420 nan 0.000 0.270 581 P C 0.779 178.040 177.300 -0.065 0.000 1.223 581 P CA -0.316 62.727 63.100 -0.095 0.000 0.785 581 P CB 0.886 32.513 31.700 -0.123 0.000 0.923 582 L N 2.882 124.091 121.223 -0.024 0.000 2.079 582 L HA -0.206 4.135 4.340 0.003 0.000 0.210 582 L C 2.475 179.353 176.870 0.013 0.000 1.081 582 L CA 2.622 57.488 54.840 0.044 0.000 0.752 582 L CB -1.633 40.416 42.059 -0.016 0.000 0.896 582 L HN 0.493 nan 8.230 nan 0.000 0.433 583 S N -2.588 113.089 115.700 -0.038 0.000 2.441 583 S HA -0.250 4.222 4.470 0.003 0.000 0.242 583 S C 1.835 176.390 174.600 -0.076 0.000 1.018 583 S CA 1.747 59.923 58.200 -0.040 0.000 0.988 583 S CB -1.283 61.884 63.200 -0.055 0.000 0.778 583 S HN 0.591 nan 8.310 nan 0.000 0.498 584 T N 1.181 115.628 114.554 -0.178 0.000 2.668 584 T HA -0.001 4.351 4.350 0.003 0.000 0.262 584 T C 1.307 175.856 174.700 -0.251 0.000 1.045 584 T CA 1.645 63.561 62.100 -0.307 0.000 1.152 584 T CB -0.554 67.975 68.868 -0.566 0.000 0.864 584 T HN 0.599 nan 8.240 nan 0.000 0.419 585 Y N 1.256 121.574 120.300 0.029 0.000 2.497 585 Y HA 0.154 4.706 4.550 0.003 0.000 0.292 585 Y C 2.083 178.096 175.900 0.188 0.000 1.137 585 Y CA 0.087 58.257 58.100 0.116 0.000 1.285 585 Y CB -0.749 37.767 38.460 0.093 0.000 0.991 585 Y HN 0.166 nan 8.280 nan 0.000 0.556 586 L N -0.293 121.054 121.223 0.207 0.000 2.056 586 L HA -0.207 4.135 4.340 0.003 0.000 0.207 586 L C 2.379 179.332 176.870 0.140 0.000 1.078 586 L CA 1.420 56.371 54.840 0.186 0.000 0.749 586 L CB -0.457 41.682 42.059 0.133 0.000 0.901 586 L HN 0.140 nan 8.230 nan 0.000 0.433 587 K N -0.092 120.341 120.400 0.055 0.000 1.985 587 K HA -0.270 4.052 4.320 0.003 0.000 0.210 587 K C 2.089 178.676 176.600 -0.022 0.000 1.047 587 K CA 1.639 57.929 56.287 0.006 0.000 0.932 587 K CB -0.289 32.186 32.500 -0.042 0.000 0.716 587 K HN 0.252 nan 8.250 nan 0.000 0.439 588 Q N -0.274 119.483 119.800 -0.072 0.000 2.224 588 Q HA -0.208 4.134 4.340 0.003 0.000 0.213 588 Q C 0.961 176.699 176.000 -0.436 0.000 0.998 588 Q CA 1.866 57.509 55.803 -0.266 0.000 0.895 588 Q CB -0.011 28.558 28.738 -0.282 0.000 0.926 588 Q HN 0.264 nan 8.270 nan 0.000 0.417 589 F N -1.653 118.333 119.950 0.059 0.000 2.654 589 F HA 0.338 4.867 4.527 0.003 0.000 0.303 589 F C 0.987 176.825 175.800 0.063 0.000 1.099 589 F CA 0.369 58.408 58.000 0.064 0.000 1.270 589 F CB 1.296 40.342 39.000 0.076 0.000 1.024 589 F HN 0.138 nan 8.300 nan 0.000 0.548 590 G N 1.491 110.377 108.800 0.145 0.000 2.204 590 G HA2 -0.251 3.710 3.960 0.003 0.000 0.244 590 G HA3 -0.251 3.710 3.960 0.003 0.000 0.244 590 G C -0.331 174.635 174.900 0.110 0.000 1.062 590 G CA -0.251 44.909 45.100 0.099 0.000 0.798 590 G HN 0.285 nan 8.290 nan 0.000 0.496 591 L N -0.137 121.163 121.223 0.128 0.000 2.330 591 L HA 0.563 4.905 4.340 0.003 0.000 0.271 591 L C 0.034 176.951 176.870 0.079 0.000 1.013 591 L CA -1.372 53.537 54.840 0.116 0.000 0.816 591 L CB 1.202 43.367 42.059 0.176 0.000 1.287 591 L HN -0.008 nan 8.230 nan 0.000 0.435 592 D N 0.401 120.833 120.400 0.054 0.000 2.344 592 D HA 0.115 4.756 4.640 0.003 0.000 0.244 592 D C -0.581 175.743 176.300 0.040 0.000 1.134 592 D CA -0.108 53.912 54.000 0.033 0.000 0.930 592 D CB 1.530 42.339 40.800 0.014 0.000 1.175 592 D HN 0.424 nan 8.370 nan 0.000 0.437 593 D N 0.000 120.414 120.400 0.024 0.000 6.856 593 D HA 0.000 4.642 4.640 0.003 0.000 0.175 593 D CA 0.000 54.011 54.000 0.019 0.000 0.868 593 D CB 0.000 40.803 40.800 0.005 0.000 0.688 593 D HN 0.000 nan 8.370 nan 0.000 0.683