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 2zw6_1_B DATA FIRST_RESID 8 DATA SEQUENCE HTAHLRTARL ELTPLDPAAD ARHLHHAYGD EEVMRWWTRP ACADPAETER DATA SEQUENCE YLTSCAAAPG ARLWTIRAPD GTVPGMAGLL GGTDVPGLTW LLRRDSWGHG DATA SEQUENCE YATEAAAAVV GHALEDGGLD RVEAWIEAGN RRSLAVAARV GLTERARLAQ DATA SEQUENCE HYPHRPGPHE MVVLGKARAE EPLTTLAVIT ELPVRDVAAT LRLVEAALGA DATA SEQUENCE RTAFAIGDPP EFAEAALTPW SAGPRFRLAA VPGPGPVEPV RLHLDAAGTA DATA SEQUENCE DSLHRRAVDA GARVDGPPVR RPWGRSEFVI TLPEGHELTV SAPV 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 8 H HA 0.000 nan 4.556 nan 0.000 0.296 8 H C 0.000 175.327 175.328 -0.002 0.000 0.993 8 H CA 0.000 56.035 56.048 -0.021 0.000 1.023 8 H CB 0.000 29.725 29.762 -0.061 0.000 1.292 9 T N -0.731 113.858 114.554 0.058 0.000 2.987 9 T HA 0.506 4.856 4.350 0.000 0.000 0.248 9 T C 1.173 176.013 174.700 0.233 0.000 0.997 9 T CA 0.263 62.394 62.100 0.052 0.000 1.013 9 T CB -0.135 68.769 68.868 0.060 0.000 1.077 9 T HN 0.928 nan 8.240 nan 0.000 0.483 10 A N 2.141 125.145 122.820 0.307 0.000 2.565 10 A HA 0.243 4.563 4.320 0.000 0.000 0.237 10 A C -0.142 177.782 177.584 0.567 0.000 1.053 10 A CA 0.202 52.461 52.037 0.369 0.000 0.755 10 A CB -0.488 18.706 19.000 0.322 0.000 0.980 10 A HN 0.709 nan 8.150 nan 0.000 0.506 11 H N 0.959 120.143 119.070 0.191 0.000 2.499 11 H HA 0.528 5.084 4.556 0.000 0.000 0.340 11 H C -0.833 174.486 175.328 -0.015 0.000 1.148 11 H CA -0.761 55.379 56.048 0.154 0.000 1.215 11 H CB 1.374 31.188 29.762 0.086 0.000 1.529 11 H HN 0.546 nan 8.280 nan 0.000 0.510 12 L N 3.334 124.507 121.223 -0.084 0.000 2.305 12 L HA 0.469 4.810 4.340 0.000 0.000 0.284 12 L C -0.306 176.494 176.870 -0.117 0.000 1.013 12 L CA -0.729 53.985 54.840 -0.210 0.000 0.819 12 L CB 1.396 43.134 42.059 -0.534 0.000 1.227 12 L HN 0.395 nan 8.230 nan 0.000 0.417 13 R N 1.134 121.600 120.500 -0.056 0.000 2.532 13 R HA 0.767 5.107 4.340 0.000 0.000 0.295 13 R C -0.064 176.210 176.300 -0.044 0.000 0.968 13 R CA -0.499 55.581 56.100 -0.034 0.000 0.916 13 R CB 2.091 32.391 30.300 0.000 0.000 1.124 13 R HN 0.738 nan 8.270 nan 0.000 0.463 14 T N -2.201 112.330 114.554 -0.037 0.000 2.804 14 T HA 0.564 4.914 4.350 0.000 0.000 0.290 14 T C 1.096 175.789 174.700 -0.011 0.000 1.099 14 T CA -0.331 61.751 62.100 -0.030 0.000 1.011 14 T CB 1.433 70.278 68.868 -0.038 0.000 1.291 14 T HN 0.378 nan 8.240 nan 0.000 0.523 15 A N 1.257 124.075 122.820 -0.004 0.000 1.894 15 A HA -0.185 4.135 4.320 0.000 0.000 0.220 15 A C 1.947 179.541 177.584 0.017 0.000 1.237 15 A CA 2.284 54.324 52.037 0.006 0.000 0.660 15 A CB -0.822 18.183 19.000 0.008 0.000 0.835 15 A HN 0.859 nan 8.150 nan 0.000 0.461 16 R N -2.039 118.481 120.500 0.033 0.000 2.600 16 R HA 0.603 4.943 4.340 0.000 0.000 0.392 16 R C -0.870 175.442 176.300 0.021 0.000 1.032 16 R CA -0.065 56.064 56.100 0.049 0.000 1.139 16 R CB 0.373 30.739 30.300 0.109 0.000 1.400 16 R HN 0.400 nan 8.270 nan 0.000 0.566 17 L N -0.429 120.788 121.223 -0.010 0.000 2.415 17 L HA 0.537 4.877 4.340 0.000 0.000 0.256 17 L C -0.592 176.248 176.870 -0.050 0.000 1.010 17 L CA -1.012 53.796 54.840 -0.054 0.000 0.826 17 L CB 2.580 44.593 42.059 -0.077 0.000 1.405 17 L HN -0.045 nan 8.230 nan 0.000 0.410 18 E N 2.501 122.666 120.200 -0.060 0.000 2.241 18 E HA 0.449 4.799 4.350 0.000 0.000 0.263 18 E C -1.547 175.019 176.600 -0.057 0.000 0.882 18 E CA -0.457 55.922 56.400 -0.035 0.000 0.769 18 E CB 2.494 32.196 29.700 0.004 0.000 1.185 18 E HN 0.426 nan 8.360 nan 0.000 0.415 19 L N 3.748 124.922 121.223 -0.082 0.000 2.277 19 L HA 0.303 4.643 4.340 0.000 0.000 0.284 19 L C 0.480 177.385 176.870 0.058 0.000 1.028 19 L CA -0.486 54.318 54.840 -0.060 0.000 0.835 19 L CB 1.203 43.070 42.059 -0.319 0.000 1.215 19 L HN 0.460 nan 8.230 nan 0.000 0.425 20 T N 1.087 115.667 114.554 0.042 0.000 2.867 20 T HA 0.497 4.848 4.350 0.000 0.000 0.282 20 T C -2.584 172.134 174.700 0.031 0.000 1.000 20 T CA -2.373 59.601 62.100 -0.210 0.000 1.042 20 T CB 1.614 70.288 68.868 -0.324 0.000 0.973 20 T HN 0.153 nan 8.240 nan 0.000 0.465 21 P HA 0.046 nan 4.420 nan 0.000 0.264 21 P C -0.258 176.929 177.300 -0.187 0.000 1.179 21 P CA -0.330 62.572 63.100 -0.331 0.000 0.763 21 P CB 0.255 31.599 31.700 -0.594 0.000 0.806 22 L N 3.716 124.852 121.223 -0.145 0.000 2.361 22 L HA 0.176 4.516 4.340 0.000 0.000 0.278 22 L C 0.284 177.120 176.870 -0.057 0.000 1.113 22 L CA 0.412 55.224 54.840 -0.047 0.000 0.849 22 L CB -0.016 42.048 42.059 0.007 0.000 1.155 22 L HN 0.297 nan 8.230 nan 0.000 0.452 23 D N 6.921 127.305 120.400 -0.028 0.000 2.460 23 D HA 0.245 4.885 4.640 0.000 0.000 0.232 23 D C -2.010 174.291 176.300 0.001 0.000 1.079 23 D CA -1.811 52.175 54.000 -0.024 0.000 0.864 23 D CB 1.989 42.778 40.800 -0.019 0.000 1.048 23 D HN 0.331 nan 8.370 nan 0.000 0.523 24 P HA -0.208 nan 4.420 nan 0.000 0.215 24 P C 1.195 178.495 177.300 0.001 0.000 1.163 24 P CA 1.701 64.798 63.100 -0.005 0.000 0.894 24 P CB 0.233 31.920 31.700 -0.022 0.000 0.791 25 A N -0.105 122.711 122.820 -0.007 0.000 1.849 25 A HA -0.214 4.106 4.320 0.000 0.000 0.217 25 A C 2.403 179.991 177.584 0.006 0.000 1.202 25 A CA 2.882 54.915 52.037 -0.007 0.000 0.629 25 A CB -1.744 17.250 19.000 -0.012 0.000 0.834 25 A HN 0.218 nan 8.150 nan 0.000 0.447 26 A N -0.335 122.498 122.820 0.021 0.000 1.877 26 A HA -0.172 4.148 4.320 0.000 0.000 0.216 26 A C 1.755 179.402 177.584 0.104 0.000 1.186 26 A CA 1.905 53.972 52.037 0.049 0.000 0.620 26 A CB -0.595 18.434 19.000 0.048 0.000 0.822 26 A HN 0.527 nan 8.150 nan 0.000 0.443 27 D N -0.026 120.444 120.400 0.116 0.000 2.234 27 D HA 0.096 4.736 4.640 0.000 0.000 0.205 27 D C 2.112 178.525 176.300 0.188 0.000 0.962 27 D CA 1.057 55.182 54.000 0.208 0.000 0.855 27 D CB -0.483 40.401 40.800 0.140 0.000 0.951 27 D HN 0.412 nan 8.370 nan 0.000 0.500 28 A N 1.752 124.627 122.820 0.092 0.000 2.009 28 A HA -0.281 4.040 4.320 0.000 0.000 0.222 28 A C 2.165 179.791 177.584 0.071 0.000 1.175 28 A CA 1.335 53.413 52.037 0.068 0.000 0.651 28 A CB -0.480 18.525 19.000 0.008 0.000 0.815 28 A HN 0.100 nan 8.150 nan 0.000 0.459 29 R N -1.323 119.167 120.500 -0.016 0.000 2.083 29 R HA -0.166 4.175 4.340 0.000 0.000 0.237 29 R C 2.063 178.362 176.300 -0.002 0.000 1.137 29 R CA 2.109 58.144 56.100 -0.108 0.000 0.951 29 R CB -0.604 29.514 30.300 -0.303 0.000 0.851 29 R HN 0.842 nan 8.270 nan 0.000 0.434 30 H N 0.231 119.406 119.070 0.174 0.000 2.317 30 H HA 0.030 4.586 4.556 0.000 0.000 0.304 30 H C 2.131 177.604 175.328 0.241 0.000 1.067 30 H CA 0.956 57.118 56.048 0.190 0.000 1.352 30 H CB -0.301 29.494 29.762 0.056 0.000 1.398 30 H HN 0.028 nan 8.280 nan 0.000 0.510 31 L N 0.397 121.819 121.223 0.332 0.000 2.261 31 L HA -0.216 4.124 4.340 0.000 0.000 0.216 31 L C 2.077 179.134 176.870 0.311 0.000 1.114 31 L CA 1.272 56.294 54.840 0.303 0.000 0.777 31 L CB -0.372 41.871 42.059 0.308 0.000 0.910 31 L HN 0.439 nan 8.230 nan 0.000 0.440 32 H N -1.182 117.987 119.070 0.164 0.000 2.546 32 H HA -0.120 4.436 4.556 0.000 0.000 0.277 32 H C 1.884 177.199 175.328 -0.022 0.000 1.004 32 H CA 1.127 57.209 56.048 0.056 0.000 1.231 32 H CB 0.038 29.777 29.762 -0.038 0.000 1.382 32 H HN 0.313 nan 8.280 nan 0.000 0.580 33 H N -1.376 117.687 119.070 -0.011 0.000 2.559 33 H HA 0.187 4.743 4.556 0.000 0.000 0.273 33 H C 1.650 176.879 175.328 -0.165 0.000 1.000 33 H CA 0.917 56.917 56.048 -0.080 0.000 1.195 33 H CB 0.455 30.209 29.762 -0.013 0.000 1.368 33 H HN 0.514 nan 8.280 nan 0.000 0.592 34 A N -1.063 121.694 122.820 -0.105 0.000 1.995 34 A HA 0.065 4.385 4.320 0.000 0.000 0.200 34 A C 1.300 178.650 177.584 -0.390 0.000 1.566 34 A CA -0.174 51.718 52.037 -0.243 0.000 0.895 34 A CB -0.465 18.371 19.000 -0.273 0.000 1.046 34 A HN 0.311 nan 8.150 nan 0.000 0.523 35 Y N 0.775 120.865 120.300 -0.349 0.000 2.497 35 Y HA 0.008 4.558 4.550 0.000 0.000 0.292 35 Y C 2.265 177.873 175.900 -0.487 0.000 1.137 35 Y CA 1.030 58.853 58.100 -0.462 0.000 1.285 35 Y CB 0.136 38.359 38.460 -0.394 0.000 0.991 35 Y HN 0.406 nan 8.280 nan 0.000 0.556 36 G N -1.686 106.806 108.800 -0.515 0.000 3.159 36 G HA2 -0.040 3.920 3.960 0.000 0.000 0.232 36 G HA3 -0.040 3.920 3.960 0.000 0.000 0.232 36 G C -0.238 174.452 174.900 -0.349 0.000 1.116 36 G CA -0.208 44.544 45.100 -0.580 0.000 0.767 36 G HN 0.090 nan 8.290 nan 0.000 0.547 37 D N 0.841 121.061 120.400 -0.300 0.000 2.316 37 D HA 0.135 4.775 4.640 0.000 0.000 0.245 37 D C 1.051 177.260 176.300 -0.152 0.000 1.171 37 D CA -0.189 53.686 54.000 -0.208 0.000 0.856 37 D CB 1.611 42.289 40.800 -0.203 0.000 1.090 37 D HN 0.230 nan 8.370 nan 0.000 0.476 38 E N 3.162 123.295 120.200 -0.111 0.000 2.065 38 E HA -0.290 4.060 4.350 0.000 0.000 0.201 38 E C 1.485 178.060 176.600 -0.041 0.000 1.016 38 E CA 1.800 58.158 56.400 -0.070 0.000 0.818 38 E CB 0.171 29.840 29.700 -0.052 0.000 0.749 38 E HN 0.661 nan 8.360 nan 0.000 0.453 39 E N -0.390 119.786 120.200 -0.040 0.000 2.012 39 E HA -0.222 4.128 4.350 0.000 0.000 0.197 39 E C 2.077 178.732 176.600 0.091 0.000 1.007 39 E CA 2.203 58.610 56.400 0.012 0.000 0.816 39 E CB -0.146 29.538 29.700 -0.027 0.000 0.762 39 E HN 0.210 nan 8.360 nan 0.000 0.451 40 V N 1.243 121.177 119.914 0.034 0.000 2.370 40 V HA -0.284 3.836 4.120 0.000 0.000 0.252 40 V C 2.123 178.318 176.094 0.169 0.000 1.068 40 V CA 1.855 64.244 62.300 0.148 0.000 1.061 40 V CB -0.563 31.236 31.823 -0.041 0.000 0.656 40 V HN 0.471 nan 8.190 nan 0.000 0.455 41 M N -0.294 119.330 119.600 0.040 0.000 2.608 41 M HA 0.145 4.625 4.480 0.000 0.000 0.224 41 M C 1.819 178.212 176.300 0.155 0.000 1.204 41 M CA 0.352 55.699 55.300 0.079 0.000 0.984 41 M CB -1.018 31.536 32.600 -0.076 0.000 1.691 41 M HN 0.294 nan 8.290 nan 0.000 0.469 42 R N 0.316 120.890 120.500 0.123 0.000 2.159 42 R HA -0.167 4.173 4.340 0.000 0.000 0.237 42 R C 0.672 176.833 176.300 -0.232 0.000 1.131 42 R CA 1.660 57.702 56.100 -0.096 0.000 0.982 42 R CB -0.038 30.131 30.300 -0.218 0.000 0.868 42 R HN 0.482 nan 8.270 nan 0.000 0.453 43 W N -1.446 119.975 121.300 0.202 0.000 3.058 43 W HA 0.205 4.865 4.660 0.000 0.000 0.306 43 W C 0.863 177.523 176.519 0.234 0.000 1.188 43 W CA -0.985 56.474 57.345 0.189 0.000 1.651 43 W CB -0.200 29.328 29.460 0.112 0.000 1.051 43 W HN -0.046 nan 8.180 nan 0.000 0.592 44 W N 2.824 124.227 121.300 0.171 0.000 2.123 44 W HA -0.072 4.588 4.660 0.000 0.000 0.351 44 W C 1.785 178.186 176.519 -0.196 0.000 1.292 44 W CA 1.566 58.915 57.345 0.007 0.000 1.263 44 W CB 0.927 30.344 29.460 -0.072 0.000 1.165 44 W HN -0.123 nan 8.180 nan 0.000 0.590 45 T N 0.800 114.933 114.554 -0.702 0.000 3.007 45 T HA -0.090 4.260 4.350 0.000 0.000 0.270 45 T C 0.278 174.691 174.700 -0.478 0.000 1.107 45 T CA 0.751 62.208 62.100 -1.071 0.000 1.118 45 T CB 0.001 68.451 68.868 -0.696 0.000 0.889 45 T HN 0.444 nan 8.240 nan 0.000 0.506 46 R N -0.193 120.202 120.500 -0.175 0.000 2.707 46 R HA 0.704 5.044 4.340 0.000 0.000 0.272 46 R C -3.392 172.671 176.300 -0.395 0.000 1.011 46 R CA -2.455 53.448 56.100 -0.328 0.000 0.893 46 R CB -0.211 30.052 30.300 -0.062 0.000 1.233 46 R HN -0.078 nan 8.270 nan 0.000 0.464 47 P HA -0.003 nan 4.420 nan 0.000 0.272 47 P C -0.533 176.656 177.300 -0.185 0.000 1.243 47 P CA -0.221 62.684 63.100 -0.325 0.000 0.803 47 P CB 0.262 31.825 31.700 -0.229 0.000 0.974 48 A N 0.528 123.263 122.820 -0.142 0.000 2.488 48 A HA 0.109 4.430 4.320 0.000 0.000 0.249 48 A C 0.403 177.910 177.584 -0.129 0.000 1.083 48 A CA -0.163 51.781 52.037 -0.154 0.000 0.768 48 A CB -0.692 18.225 19.000 -0.138 0.000 1.017 48 A HN 0.608 nan 8.150 nan 0.000 0.496 49 C N 2.396 121.612 119.300 -0.140 0.000 2.634 49 C HA 0.270 4.731 4.460 0.000 0.000 0.417 49 C C 2.043 177.051 174.990 0.030 0.000 1.334 49 C CA 0.532 59.515 59.018 -0.059 0.000 1.829 49 C CB -0.363 27.356 27.740 -0.033 0.000 2.665 49 C HN 0.995 nan 8.230 nan 0.000 0.614 50 A N 3.205 126.051 122.820 0.043 0.000 1.832 50 A HA 0.047 4.367 4.320 0.000 0.000 0.214 50 A C 0.454 178.098 177.584 0.099 0.000 1.204 50 A CA 1.329 53.396 52.037 0.050 0.000 0.606 50 A CB -0.319 18.686 19.000 0.009 0.000 0.849 50 A HN 0.936 nan 8.150 nan 0.000 0.445 51 D N -2.487 117.930 120.400 0.028 0.000 2.419 51 D HA 0.485 5.125 4.640 0.000 0.000 0.234 51 D C -2.469 173.672 176.300 -0.265 0.000 1.014 51 D CA -1.818 52.087 54.000 -0.158 0.000 0.919 51 D CB 0.912 41.632 40.800 -0.134 0.000 1.366 51 D HN -0.164 nan 8.370 nan 0.000 0.490 52 P HA -0.158 nan 4.420 nan 0.000 0.223 52 P C 0.866 178.078 177.300 -0.148 0.000 1.144 52 P CA 1.120 63.987 63.100 -0.389 0.000 0.783 52 P CB 0.111 31.567 31.700 -0.407 0.000 0.771 53 A N -0.202 122.540 122.820 -0.131 0.000 1.873 53 A HA -0.206 4.114 4.320 0.000 0.000 0.215 53 A C 2.333 179.893 177.584 -0.041 0.000 1.186 53 A CA 1.379 53.373 52.037 -0.073 0.000 0.616 53 A CB -1.165 17.796 19.000 -0.066 0.000 0.823 53 A HN 0.116 nan 8.150 nan 0.000 0.442 54 E N -0.707 119.475 120.200 -0.030 0.000 2.058 54 E HA -0.169 4.181 4.350 0.000 0.000 0.194 54 E C 2.073 178.682 176.600 0.014 0.000 0.997 54 E CA 1.778 58.180 56.400 0.004 0.000 0.801 54 E CB -0.133 29.573 29.700 0.011 0.000 0.746 54 E HN 0.597 nan 8.360 nan 0.000 0.450 55 T N 0.890 115.444 114.554 0.001 0.000 2.674 55 T HA -0.182 4.168 4.350 0.000 0.000 0.265 55 T C 1.704 176.372 174.700 -0.052 0.000 1.039 55 T CA 1.206 63.273 62.100 -0.055 0.000 1.150 55 T CB -0.296 68.599 68.868 0.044 0.000 0.864 55 T HN 0.224 nan 8.240 nan 0.000 0.427 56 E N 0.840 121.020 120.200 -0.034 0.000 2.086 56 E HA -0.221 4.129 4.350 0.000 0.000 0.200 56 E C 2.511 179.096 176.600 -0.024 0.000 1.012 56 E CA 1.216 57.596 56.400 -0.032 0.000 0.812 56 E CB -0.115 29.563 29.700 -0.036 0.000 0.743 56 E HN 0.324 nan 8.360 nan 0.000 0.453 57 R N -0.707 119.787 120.500 -0.011 0.000 2.070 57 R HA -0.189 4.151 4.340 0.000 0.000 0.233 57 R C 2.422 178.723 176.300 0.002 0.000 1.137 57 R CA 1.728 57.825 56.100 -0.005 0.000 0.945 57 R CB -0.480 29.824 30.300 0.008 0.000 0.845 57 R HN 0.235 nan 8.270 nan 0.000 0.430 58 Y N 1.311 121.549 120.300 -0.102 0.000 2.070 58 Y HA -0.279 4.272 4.550 0.000 0.000 0.280 58 Y C 2.121 177.943 175.900 -0.130 0.000 1.148 58 Y CA 1.960 59.992 58.100 -0.113 0.000 1.125 58 Y CB -0.446 37.912 38.460 -0.170 0.000 0.975 58 Y HN 0.043 nan 8.280 nan 0.000 0.492 59 L N -0.697 120.540 121.223 0.023 0.000 2.021 59 L HA -0.374 3.966 4.340 0.000 0.000 0.215 59 L C 2.347 179.175 176.870 -0.071 0.000 1.074 59 L CA 2.205 57.020 54.840 -0.042 0.000 0.760 59 L CB -1.096 40.925 42.059 -0.063 0.000 0.889 59 L HN 0.309 nan 8.230 nan 0.000 0.433 60 T N -0.851 113.663 114.554 -0.067 0.000 2.643 60 T HA -0.193 4.157 4.350 0.000 0.000 0.264 60 T C 2.032 176.671 174.700 -0.102 0.000 1.045 60 T CA 1.725 63.783 62.100 -0.069 0.000 1.155 60 T CB -0.494 68.342 68.868 -0.054 0.000 0.863 60 T HN 0.510 nan 8.240 nan 0.000 0.420 61 S N 0.885 116.502 115.700 -0.138 0.000 2.402 61 S HA -0.176 4.294 4.470 0.000 0.000 0.233 61 S C 2.346 176.819 174.600 -0.212 0.000 1.030 61 S CA 1.058 59.154 58.200 -0.173 0.000 1.003 61 S CB -1.295 61.776 63.200 -0.215 0.000 0.813 61 S HN 0.550 nan 8.310 nan 0.000 0.477 62 C N 1.796 120.940 119.300 -0.258 0.000 2.489 62 C HA 0.274 4.734 4.460 0.000 0.000 0.279 62 C C 3.293 178.221 174.990 -0.102 0.000 1.266 62 C CA 0.588 59.482 59.018 -0.207 0.000 1.707 62 C CB -1.459 26.181 27.740 -0.166 0.000 2.059 62 C HN 0.726 nan 8.230 nan 0.000 0.481 63 A N 0.128 122.903 122.820 -0.074 0.000 2.067 63 A HA 0.157 4.477 4.320 0.000 0.000 0.219 63 A C 2.246 179.796 177.584 -0.056 0.000 1.158 63 A CA 1.751 53.757 52.037 -0.053 0.000 0.661 63 A CB -0.651 18.325 19.000 -0.040 0.000 0.801 63 A HN 0.591 nan 8.150 nan 0.000 0.452 64 A N 0.502 123.281 122.820 -0.068 0.000 1.883 64 A HA 0.296 4.616 4.320 0.000 0.000 0.217 64 A C 1.718 179.270 177.584 -0.055 0.000 1.186 64 A CA 1.154 53.156 52.037 -0.060 0.000 0.624 64 A CB -1.314 17.646 19.000 -0.068 0.000 0.822 64 A HN 1.359 nan 8.150 nan 0.000 0.444 65 A N 0.030 122.810 122.820 -0.067 0.000 2.613 65 A HA 0.300 4.620 4.320 0.000 0.000 0.230 65 A C -0.525 177.032 177.584 -0.045 0.000 1.051 65 A CA -0.113 51.888 52.037 -0.059 0.000 0.754 65 A CB -0.529 18.427 19.000 -0.073 0.000 0.979 65 A HN 0.315 nan 8.150 nan 0.000 0.510 66 P HA -0.250 nan 4.420 nan 0.000 0.211 66 P C 1.453 178.739 177.300 -0.023 0.000 0.948 66 P CA 2.413 65.498 63.100 -0.025 0.000 1.010 66 P CB -0.177 31.511 31.700 -0.022 0.000 0.737 67 G N -1.492 107.294 108.800 -0.024 0.000 3.026 67 G HA2 0.224 4.184 3.960 0.000 0.000 0.208 67 G HA3 0.224 4.184 3.960 0.000 0.000 0.208 67 G C 0.385 175.262 174.900 -0.038 0.000 1.169 67 G CA 0.367 45.455 45.100 -0.021 0.000 0.788 67 G HN 0.579 nan 8.290 nan 0.000 0.533 68 A N 0.258 123.049 122.820 -0.049 0.000 2.567 68 A HA 0.520 4.840 4.320 0.000 0.000 0.240 68 A C 0.524 178.030 177.584 -0.129 0.000 1.053 68 A CA 0.366 52.364 52.037 -0.065 0.000 0.755 68 A CB 0.154 19.119 19.000 -0.059 0.000 0.978 68 A HN 0.228 nan 8.150 nan 0.000 0.507 69 R N 1.603 121.979 120.500 -0.207 0.000 2.985 69 R HA 0.448 4.788 4.340 0.000 0.000 0.259 69 R C -1.329 174.569 176.300 -0.670 0.000 1.815 69 R CA -0.036 55.712 56.100 -0.587 0.000 1.278 69 R CB 0.398 30.389 30.300 -0.515 0.000 1.403 69 R HN 0.724 nan 8.270 nan 0.000 0.534 70 L N 1.009 121.910 121.223 -0.536 0.000 2.322 70 L HA 0.758 5.098 4.340 0.000 0.000 0.269 70 L C -0.137 176.540 176.870 -0.322 0.000 1.012 70 L CA -0.912 53.793 54.840 -0.225 0.000 0.815 70 L CB 1.852 43.936 42.059 0.042 0.000 1.295 70 L HN 0.158 nan 8.230 nan 0.000 0.438 71 W N -0.727 120.638 121.300 0.107 0.000 2.967 71 W HA 0.515 5.175 4.660 0.000 0.000 0.342 71 W C -0.914 175.641 176.519 0.060 0.000 1.162 71 W CA -0.536 56.855 57.345 0.076 0.000 1.085 71 W CB 2.432 31.909 29.460 0.027 0.000 1.460 71 W HN 0.289 nan 8.180 nan 0.000 0.584 72 T N 2.154 116.868 114.554 0.266 0.000 2.792 72 T HA 0.414 4.765 4.350 0.000 0.000 0.280 72 T C -0.218 174.535 174.700 0.087 0.000 0.990 72 T CA -0.531 61.657 62.100 0.147 0.000 0.960 72 T CB 1.012 69.927 68.868 0.077 0.000 0.939 72 T HN 0.066 nan 8.240 nan 0.000 0.439 73 I N 4.013 124.615 120.570 0.053 0.000 2.505 73 I HA 0.218 4.388 4.170 0.000 0.000 0.287 73 I C 0.811 176.866 176.117 -0.104 0.000 1.104 73 I CA 0.184 61.463 61.300 -0.035 0.000 1.387 73 I CB 0.182 38.148 38.000 -0.058 0.000 1.404 73 I HN 0.286 nan 8.210 nan 0.000 0.528 74 R N 5.625 126.056 120.500 -0.116 0.000 2.437 74 R HA 0.759 5.099 4.340 0.000 0.000 0.310 74 R C -0.533 175.675 176.300 -0.153 0.000 0.955 74 R CA -0.719 55.301 56.100 -0.133 0.000 0.851 74 R CB 1.931 32.175 30.300 -0.093 0.000 1.161 74 R HN 0.704 nan 8.270 nan 0.000 0.446 75 A N 3.880 126.592 122.820 -0.180 0.000 2.256 75 A HA 0.520 4.840 4.320 0.000 0.000 0.318 75 A C -1.559 175.982 177.584 -0.072 0.000 1.103 75 A CA -1.431 50.512 52.037 -0.158 0.000 0.860 75 A CB 0.289 19.165 19.000 -0.205 0.000 1.182 75 A HN 0.526 nan 8.150 nan 0.000 0.501 76 P HA -0.089 nan 4.420 nan 0.000 0.216 76 P C -0.030 177.267 177.300 -0.006 0.000 1.153 76 P CA 0.970 64.065 63.100 -0.009 0.000 0.844 76 P CB -0.102 31.604 31.700 0.010 0.000 0.787 77 D N 0.043 120.446 120.400 0.006 0.000 2.948 77 D HA 0.173 4.813 4.640 0.000 0.000 0.241 77 D C 1.698 177.994 176.300 -0.008 0.000 1.198 77 D CA 0.899 54.905 54.000 0.011 0.000 0.926 77 D CB -1.019 39.803 40.800 0.037 0.000 1.151 77 D HN 0.233 nan 8.370 nan 0.000 0.441 78 G N 0.693 109.478 108.800 -0.024 0.000 2.587 78 G HA2 -0.394 3.566 3.960 0.000 0.000 0.246 78 G HA3 -0.394 3.566 3.960 0.000 0.000 0.246 78 G C 1.024 175.880 174.900 -0.074 0.000 1.058 78 G CA 1.147 46.222 45.100 -0.041 0.000 0.658 78 G HN 0.530 nan 8.290 nan 0.000 0.538 79 T N -0.302 114.213 114.554 -0.064 0.000 2.709 79 T HA 0.335 4.686 4.350 0.000 0.000 0.345 79 T C 0.387 175.000 174.700 -0.146 0.000 1.086 79 T CA 0.911 62.958 62.100 -0.088 0.000 1.084 79 T CB 0.564 69.402 68.868 -0.049 0.000 1.000 79 T HN 0.951 nan 8.240 nan 0.000 0.549 80 V N 6.546 126.369 119.914 -0.152 0.000 2.465 80 V HA 0.246 4.367 4.120 0.000 0.000 0.263 80 V C -1.442 174.595 176.094 -0.095 0.000 0.981 80 V CA -1.083 61.119 62.300 -0.163 0.000 0.838 80 V CB 1.187 32.866 31.823 -0.241 0.000 1.068 80 V HN 0.748 nan 8.190 nan 0.000 0.458 81 P HA -0.038 nan 4.420 nan 0.000 0.217 81 P C 0.857 178.174 177.300 0.028 0.000 1.148 81 P CA 2.087 65.160 63.100 -0.045 0.000 0.828 81 P CB 0.758 32.370 31.700 -0.147 0.000 0.783 82 G N -1.305 107.511 108.800 0.027 0.000 2.441 82 G HA2 0.369 4.329 3.960 0.000 0.000 0.222 82 G HA3 0.369 4.329 3.960 0.000 0.000 0.222 82 G C -1.569 173.401 174.900 0.117 0.000 1.254 82 G CA 0.034 45.183 45.100 0.082 0.000 0.959 82 G HN 0.324 nan 8.290 nan 0.000 0.474 83 M N 0.353 120.058 119.600 0.175 0.000 2.704 83 M HA 0.925 5.405 4.480 0.000 0.000 0.284 83 M C -1.465 175.017 176.300 0.303 0.000 1.275 83 M CA -0.326 55.114 55.300 0.233 0.000 0.811 83 M CB 1.363 34.125 32.600 0.270 0.000 1.741 83 M HN 2.421 nan 8.290 nan 0.000 0.458 84 A N 0.336 123.361 122.820 0.342 0.000 2.594 84 A HA 0.900 5.221 4.320 0.000 0.000 0.296 84 A C -0.597 177.266 177.584 0.465 0.000 1.061 84 A CA 0.150 52.422 52.037 0.391 0.000 0.689 84 A CB 1.198 20.371 19.000 0.289 0.000 1.280 84 A HN 1.959 nan 8.150 nan 0.000 0.406 85 G N -0.575 108.494 108.800 0.449 0.000 2.317 85 G HA2 0.520 4.481 3.960 0.000 0.000 0.293 85 G HA3 0.520 4.481 3.960 0.000 0.000 0.293 85 G C -1.814 173.296 174.900 0.351 0.000 1.287 85 G CA -0.762 44.653 45.100 0.525 0.000 0.850 85 G HN 1.014 nan 8.290 nan 0.000 0.515 86 L N 1.066 122.463 121.223 0.289 0.000 2.264 86 L HA 0.516 4.856 4.340 0.000 0.000 0.289 86 L C 0.261 177.179 176.870 0.080 0.000 1.044 86 L CA -0.596 54.346 54.840 0.169 0.000 0.807 86 L CB 1.048 43.199 42.059 0.154 0.000 1.192 86 L HN 0.370 nan 8.230 nan 0.000 0.425 87 L N 2.357 123.611 121.223 0.051 0.000 2.682 87 L HA 0.832 5.172 4.340 0.000 0.000 0.209 87 L C 0.893 177.737 176.870 -0.043 0.000 1.195 87 L CA 0.017 54.855 54.840 -0.002 0.000 0.869 87 L CB 0.462 42.496 42.059 -0.041 0.000 1.599 87 L HN 0.727 nan 8.230 nan 0.000 0.518 88 G N -3.065 105.688 108.800 -0.079 0.000 2.341 88 G HA2 0.472 4.433 3.960 0.000 0.000 0.299 88 G HA3 0.472 4.433 3.960 0.000 0.000 0.299 88 G C 0.012 174.858 174.900 -0.089 0.000 1.274 88 G CA 0.104 45.156 45.100 -0.081 0.000 0.853 88 G HN 1.032 nan 8.290 nan 0.000 0.493 89 G N -1.854 106.906 108.800 -0.066 0.000 2.234 89 G HA2 -0.003 3.958 3.960 0.000 0.000 0.235 89 G HA3 -0.003 3.958 3.960 0.000 0.000 0.235 89 G C 0.927 175.795 174.900 -0.054 0.000 0.997 89 G CA 1.213 46.279 45.100 -0.056 0.000 0.623 89 G HN 2.126 nan 8.290 nan 0.000 0.514 90 T N -0.839 113.669 114.554 -0.076 0.000 2.715 90 T HA 0.546 4.897 4.350 0.000 0.000 0.320 90 T C 0.891 175.574 174.700 -0.028 0.000 1.046 90 T CA 0.876 62.931 62.100 -0.074 0.000 0.983 90 T CB 0.883 69.663 68.868 -0.146 0.000 1.183 90 T HN -0.008 nan 8.240 nan 0.000 0.522 91 D N -0.416 119.984 120.400 -0.001 0.000 2.355 91 D HA 0.138 4.778 4.640 0.000 0.000 0.233 91 D C 0.274 176.593 176.300 0.032 0.000 0.997 91 D CA 0.435 54.448 54.000 0.022 0.000 0.920 91 D CB -0.224 40.601 40.800 0.041 0.000 1.063 91 D HN 0.368 nan 8.370 nan 0.000 0.465 92 V N 2.612 122.561 119.914 0.058 0.000 2.461 92 V HA 0.246 4.366 4.120 0.000 0.000 0.275 92 V C -2.265 173.861 176.094 0.053 0.000 1.047 92 V CA -1.647 60.696 62.300 0.072 0.000 0.955 92 V CB 0.842 32.738 31.823 0.121 0.000 0.988 92 V HN 0.037 nan 8.190 nan 0.000 0.471 93 P HA 0.072 nan 4.420 nan 0.000 0.256 93 P C 0.548 177.876 177.300 0.047 0.000 1.189 93 P CA 0.659 63.782 63.100 0.039 0.000 0.808 93 P CB 0.101 31.835 31.700 0.056 0.000 0.793 94 G N 3.099 111.891 108.800 -0.014 0.000 2.599 94 G HA2 0.485 4.445 3.960 0.000 0.000 0.264 94 G HA3 0.485 4.445 3.960 0.000 0.000 0.264 94 G C -1.037 173.892 174.900 0.047 0.000 1.200 94 G CA -0.418 44.661 45.100 -0.036 0.000 0.896 94 G HN 0.559 nan 8.290 nan 0.000 0.536 95 L N -0.713 120.565 121.223 0.092 0.000 2.393 95 L HA 0.890 5.230 4.340 0.000 0.000 0.260 95 L C -0.345 176.628 176.870 0.172 0.000 1.002 95 L CA -0.547 54.398 54.840 0.174 0.000 0.818 95 L CB 2.613 44.813 42.059 0.235 0.000 1.369 95 L HN 0.804 nan 8.230 nan 0.000 0.412 96 T N 0.909 115.621 114.554 0.263 0.000 2.749 96 T HA 0.668 5.018 4.350 0.000 0.000 0.310 96 T C -2.364 172.602 174.700 0.444 0.000 1.496 96 T CA -0.116 62.102 62.100 0.195 0.000 1.006 96 T CB 0.996 69.934 68.868 0.117 0.000 1.457 96 T HN 0.855 nan 8.240 nan 0.000 0.497 97 W N 2.126 123.571 121.300 0.241 0.000 2.989 97 W HA 0.819 5.480 4.660 0.000 0.000 0.344 97 W C -2.684 173.966 176.519 0.218 0.000 1.233 97 W CA -1.040 56.430 57.345 0.209 0.000 1.187 97 W CB 0.563 30.106 29.460 0.138 0.000 1.443 97 W HN 0.702 nan 8.180 nan 0.000 0.573 98 L N 1.876 123.323 121.223 0.374 0.000 2.643 98 L HA 0.735 5.075 4.340 0.000 0.000 0.256 98 L C -1.817 175.177 176.870 0.208 0.000 0.931 98 L CA -0.743 54.197 54.840 0.168 0.000 0.895 98 L CB 1.844 43.759 42.059 -0.239 0.000 1.430 98 L HN 0.671 nan 8.230 nan 0.000 0.419 99 L N 2.934 124.332 121.223 0.291 0.000 2.409 99 L HA 0.678 5.018 4.340 0.000 0.000 0.262 99 L C -0.478 176.492 176.870 0.166 0.000 0.992 99 L CA -1.106 53.901 54.840 0.278 0.000 0.817 99 L CB 2.187 44.516 42.059 0.450 0.000 1.350 99 L HN 0.626 nan 8.230 nan 0.000 0.411 100 R N 0.586 121.089 120.500 0.004 0.000 2.734 100 R HA 0.222 4.562 4.340 0.000 0.000 0.266 100 R C 0.818 176.850 176.300 -0.446 0.000 1.044 100 R CA -0.620 55.388 56.100 -0.155 0.000 1.128 100 R CB 0.560 30.809 30.300 -0.085 0.000 1.010 100 R HN 0.532 nan 8.270 nan 0.000 0.461 101 R N 1.311 121.378 120.500 -0.722 0.000 2.139 101 R HA -0.216 4.125 4.340 0.000 0.000 0.243 101 R C 0.740 176.582 176.300 -0.764 0.000 1.145 101 R CA 2.473 57.792 56.100 -1.301 0.000 0.976 101 R CB -0.397 29.364 30.300 -0.898 0.000 0.866 101 R HN 0.791 nan 8.270 nan 0.000 0.449 102 D N -0.347 119.824 120.400 -0.382 0.000 2.088 102 D HA -0.138 4.502 4.640 0.000 0.000 0.191 102 D C 1.581 177.752 176.300 -0.215 0.000 0.992 102 D CA 1.877 55.750 54.000 -0.210 0.000 0.831 102 D CB -0.326 40.401 40.800 -0.122 0.000 0.973 102 D HN 0.065 nan 8.370 nan 0.000 0.447 103 S N -0.162 115.460 115.700 -0.130 0.000 2.584 103 S HA -0.087 4.383 4.470 0.000 0.000 0.240 103 S C 0.001 174.574 174.600 -0.046 0.000 0.975 103 S CA 0.064 58.231 58.200 -0.054 0.000 0.949 103 S CB -0.411 62.964 63.200 0.291 0.000 0.761 103 S HN 0.225 nan 8.310 nan 0.000 0.536 104 W N 1.287 122.458 121.300 -0.216 0.000 2.137 104 W HA 0.429 5.089 4.660 0.000 0.000 0.344 104 W C 1.480 177.935 176.519 -0.107 0.000 1.286 104 W CA 0.009 57.289 57.345 -0.108 0.000 1.240 104 W CB -0.711 28.736 29.460 -0.021 0.000 1.141 104 W HN 0.308 nan 8.180 nan 0.000 0.579 105 G N 1.619 110.514 108.800 0.159 0.000 2.212 105 G HA2 -0.356 3.605 3.960 0.000 0.000 0.267 105 G HA3 -0.356 3.605 3.960 0.000 0.000 0.267 105 G C 0.506 175.517 174.900 0.186 0.000 1.002 105 G CA 0.816 45.993 45.100 0.128 0.000 0.729 105 G HN 0.652 nan 8.290 nan 0.000 0.517 106 H N -0.700 118.211 119.070 -0.266 0.000 2.520 106 H HA 0.415 4.971 4.556 0.000 0.000 0.284 106 H C 2.073 177.118 175.328 -0.472 0.000 1.037 106 H CA 0.127 55.888 56.048 -0.479 0.000 1.168 106 H CB 0.227 29.435 29.762 -0.923 0.000 1.497 106 H HN 1.141 nan 8.280 nan 0.000 0.547 107 G N 0.008 108.714 108.800 -0.157 0.000 2.179 107 G HA2 -0.414 3.546 3.960 0.000 0.000 0.260 107 G HA3 -0.414 3.546 3.960 0.000 0.000 0.260 107 G C 0.822 175.716 174.900 -0.010 0.000 0.977 107 G CA 0.605 45.648 45.100 -0.095 0.000 0.641 107 G HN 0.339 nan 8.290 nan 0.000 0.533 108 Y N 0.515 120.826 120.300 0.019 0.000 2.070 108 Y HA 0.096 4.646 4.550 0.000 0.000 0.280 108 Y C 3.242 179.081 175.900 -0.101 0.000 1.148 108 Y CA 1.719 59.812 58.100 -0.012 0.000 1.125 108 Y CB -1.433 37.048 38.460 0.036 0.000 0.975 108 Y HN 0.413 nan 8.280 nan 0.000 0.492 109 A N 0.023 122.863 122.820 0.033 0.000 1.869 109 A HA -0.289 4.031 4.320 0.000 0.000 0.218 109 A C 2.366 179.689 177.584 -0.435 0.000 1.203 109 A CA 3.142 55.001 52.037 -0.297 0.000 0.638 109 A CB -1.469 17.331 19.000 -0.333 0.000 0.831 109 A HN 0.504 nan 8.150 nan 0.000 0.450 110 T N -0.614 113.761 114.554 -0.298 0.000 2.607 110 T HA -0.223 4.127 4.350 0.000 0.000 0.267 110 T C 1.853 176.435 174.700 -0.197 0.000 1.049 110 T CA 1.742 63.683 62.100 -0.264 0.000 1.162 110 T CB -0.376 68.395 68.868 -0.162 0.000 0.863 110 T HN 0.659 nan 8.240 nan 0.000 0.424 111 E N 0.677 120.814 120.200 -0.104 0.000 2.038 111 E HA -0.164 4.186 4.350 0.000 0.000 0.195 111 E C 2.500 179.040 176.600 -0.100 0.000 1.000 111 E CA 1.102 57.464 56.400 -0.065 0.000 0.803 111 E CB -0.269 29.442 29.700 0.018 0.000 0.750 111 E HN 0.471 nan 8.360 nan 0.000 0.448 112 A N 1.206 123.965 122.820 -0.102 0.000 1.865 112 A HA -0.217 4.104 4.320 0.000 0.000 0.217 112 A C 2.419 179.907 177.584 -0.160 0.000 1.191 112 A CA 2.273 54.239 52.037 -0.117 0.000 0.623 112 A CB -1.103 17.857 19.000 -0.067 0.000 0.826 112 A HN 0.417 nan 8.150 nan 0.000 0.444 113 A N -0.164 122.493 122.820 -0.272 0.000 1.873 113 A HA 0.023 4.343 4.320 0.000 0.000 0.218 113 A C 2.577 180.061 177.584 -0.167 0.000 1.193 113 A CA 2.849 54.710 52.037 -0.294 0.000 0.629 113 A CB -1.309 17.311 19.000 -0.633 0.000 0.826 113 A HN 1.292 nan 8.150 nan 0.000 0.447 114 A N -0.322 122.397 122.820 -0.168 0.000 1.892 114 A HA 0.045 4.365 4.320 0.000 0.000 0.218 114 A C 2.545 180.076 177.584 -0.089 0.000 1.188 114 A CA 2.707 54.679 52.037 -0.108 0.000 0.631 114 A CB -1.204 17.738 19.000 -0.098 0.000 0.822 114 A HN 1.210 nan 8.150 nan 0.000 0.447 115 A N -0.458 122.293 122.820 -0.115 0.000 1.841 115 A HA -0.052 4.268 4.320 0.000 0.000 0.216 115 A C 2.236 179.730 177.584 -0.150 0.000 1.199 115 A CA 2.208 54.162 52.037 -0.139 0.000 0.621 115 A CB -1.325 17.558 19.000 -0.196 0.000 0.835 115 A HN 0.604 nan 8.150 nan 0.000 0.445 116 V N -0.185 119.615 119.914 -0.189 0.000 2.250 116 V HA -0.311 3.809 4.120 0.000 0.000 0.250 116 V C 2.532 178.630 176.094 0.006 0.000 1.060 116 V CA 2.268 64.475 62.300 -0.156 0.000 1.030 116 V CB -1.334 30.469 31.823 -0.033 0.000 0.643 116 V HN 0.363 nan 8.190 nan 0.000 0.445 117 V N 0.980 120.900 119.914 0.010 0.000 2.233 117 V HA -0.227 3.893 4.120 0.000 0.000 0.247 117 V C 2.718 178.827 176.094 0.024 0.000 1.050 117 V CA 2.431 64.751 62.300 0.033 0.000 1.010 117 V CB -1.673 30.159 31.823 0.015 0.000 0.637 117 V HN 0.617 nan 8.190 nan 0.000 0.444 118 G N -0.770 108.032 108.800 0.003 0.000 2.553 118 G HA2 -0.419 3.541 3.960 0.000 0.000 0.218 118 G HA3 -0.419 3.541 3.960 0.000 0.000 0.218 118 G C 1.432 176.343 174.900 0.019 0.000 1.195 118 G CA 1.727 46.828 45.100 0.003 0.000 0.779 118 G HN 0.704 nan 8.290 nan 0.000 0.577 119 H N 1.203 120.238 119.070 -0.058 0.000 2.289 119 H HA 0.016 4.572 4.556 0.000 0.000 0.296 119 H C 2.732 178.066 175.328 0.010 0.000 1.091 119 H CA 2.501 58.526 56.048 -0.037 0.000 1.274 119 H CB -0.468 29.235 29.762 -0.099 0.000 1.364 119 H HN 0.317 nan 8.280 nan 0.000 0.490 120 A N 0.776 123.607 122.820 0.019 0.000 1.892 120 A HA -0.173 4.147 4.320 0.000 0.000 0.218 120 A C 2.332 179.879 177.584 -0.062 0.000 1.188 120 A CA 1.904 53.940 52.037 -0.002 0.000 0.631 120 A CB -0.715 18.343 19.000 0.096 0.000 0.822 120 A HN 0.438 nan 8.150 nan 0.000 0.447 121 L N -0.867 120.334 121.223 -0.037 0.000 2.068 121 L HA -0.001 4.339 4.340 0.000 0.000 0.204 121 L C 2.223 179.059 176.870 -0.057 0.000 1.076 121 L CA 1.922 56.743 54.840 -0.032 0.000 0.753 121 L CB -1.579 40.474 42.059 -0.010 0.000 0.910 121 L HN 0.576 nan 8.230 nan 0.000 0.439 122 E N 0.405 120.562 120.200 -0.072 0.000 2.007 122 E HA -0.181 4.169 4.350 0.000 0.000 0.204 122 E C 1.538 178.072 176.600 -0.110 0.000 0.933 122 E CA 1.437 57.795 56.400 -0.070 0.000 0.924 122 E CB 0.054 29.727 29.700 -0.046 0.000 0.868 122 E HN 0.393 nan 8.360 nan 0.000 0.535 123 D N -0.514 119.792 120.400 -0.156 0.000 2.263 123 D HA -0.066 4.574 4.640 0.000 0.000 0.208 123 D C 1.603 177.732 176.300 -0.285 0.000 0.971 123 D CA 1.007 54.907 54.000 -0.167 0.000 0.867 123 D CB -0.215 40.543 40.800 -0.069 0.000 0.929 123 D HN 0.371 nan 8.370 nan 0.000 0.492 124 G N -0.038 108.455 108.800 -0.511 0.000 2.559 124 G HA2 0.051 4.011 3.960 0.000 0.000 0.216 124 G HA3 0.051 4.011 3.960 0.000 0.000 0.216 124 G C 1.476 176.306 174.900 -0.118 0.000 1.126 124 G CA 0.445 45.331 45.100 -0.356 0.000 0.778 124 G HN 0.448 nan 8.290 nan 0.000 0.543 125 G N -0.687 108.053 108.800 -0.099 0.000 2.175 125 G HA2 -0.296 3.664 3.960 0.000 0.000 0.265 125 G HA3 -0.296 3.664 3.960 0.000 0.000 0.265 125 G C 0.473 175.359 174.900 -0.024 0.000 0.979 125 G CA 0.493 45.567 45.100 -0.043 0.000 0.663 125 G HN 0.505 nan 8.290 nan 0.000 0.533 126 L N 0.074 121.281 121.223 -0.028 0.000 2.453 126 L HA 0.279 4.620 4.340 0.000 0.000 0.261 126 L C 1.225 178.096 176.870 0.001 0.000 1.179 126 L CA -0.329 54.509 54.840 -0.003 0.000 0.813 126 L CB 0.490 42.554 42.059 0.009 0.000 1.110 126 L HN 0.034 nan 8.230 nan 0.000 0.466 127 D N 0.673 121.080 120.400 0.011 0.000 2.277 127 D HA 0.035 4.675 4.640 0.000 0.000 0.209 127 D C 0.522 176.834 176.300 0.019 0.000 0.970 127 D CA 0.699 54.707 54.000 0.013 0.000 0.874 127 D CB 0.602 41.410 40.800 0.015 0.000 0.982 127 D HN 0.491 nan 8.370 nan 0.000 0.504 128 R N -1.015 119.502 120.500 0.029 0.000 2.733 128 R HA 0.605 4.945 4.340 0.000 0.000 0.272 128 R C -2.065 174.268 176.300 0.055 0.000 1.029 128 R CA -0.730 55.394 56.100 0.040 0.000 0.888 128 R CB 1.625 31.951 30.300 0.042 0.000 1.251 128 R HN -0.151 nan 8.270 nan 0.000 0.464 129 V N 0.719 120.675 119.914 0.069 0.000 2.851 129 V HA 0.379 4.499 4.120 0.000 0.000 0.307 129 V C -0.839 175.326 176.094 0.117 0.000 1.129 129 V CA -0.554 61.801 62.300 0.092 0.000 0.932 129 V CB 2.369 34.248 31.823 0.094 0.000 1.024 129 V HN 0.874 nan 8.190 nan 0.000 0.426 130 E N 2.658 122.950 120.200 0.153 0.000 2.601 130 E HA 0.905 5.255 4.350 0.000 0.000 0.250 130 E C -0.722 176.025 176.600 0.245 0.000 1.099 130 E CA -0.687 55.844 56.400 0.218 0.000 0.968 130 E CB 2.106 32.009 29.700 0.338 0.000 1.290 130 E HN 0.925 nan 8.360 nan 0.000 0.505 131 A N 0.832 123.862 122.820 0.349 0.000 2.528 131 A HA 0.293 4.613 4.320 0.000 0.000 0.306 131 A C -2.250 175.589 177.584 0.425 0.000 1.042 131 A CA -0.752 51.479 52.037 0.322 0.000 0.950 131 A CB 0.241 19.393 19.000 0.253 0.000 1.374 131 A HN 0.434 nan 8.150 nan 0.000 0.387 132 W N 3.098 124.385 121.300 -0.021 0.000 2.311 132 W HA 0.638 5.298 4.660 0.000 0.000 0.317 132 W C -0.220 176.254 176.519 -0.075 0.000 1.065 132 W CA -0.963 56.364 57.345 -0.029 0.000 1.364 132 W CB 0.633 30.085 29.460 -0.013 0.000 1.233 132 W HN 0.455 nan 8.180 nan 0.000 0.409 133 I N 2.191 122.811 120.570 0.083 0.000 2.433 133 I HA 0.182 4.352 4.170 0.000 0.000 0.292 133 I C 0.516 176.619 176.117 -0.024 0.000 1.001 133 I CA -1.304 59.981 61.300 -0.024 0.000 1.119 133 I CB 1.826 39.779 38.000 -0.079 0.000 1.289 133 I HN 0.251 nan 8.210 nan 0.000 0.438 134 E N 3.563 123.751 120.200 -0.019 0.000 2.442 134 E HA 0.034 4.384 4.350 0.000 0.000 0.262 134 E C 1.036 177.622 176.600 -0.024 0.000 1.004 134 E CA 0.457 56.866 56.400 0.015 0.000 0.928 134 E CB 1.145 30.921 29.700 0.126 0.000 0.937 134 E HN 0.730 nan 8.360 nan 0.000 0.446 135 A N 4.077 126.911 122.820 0.023 0.000 1.869 135 A HA -0.228 4.092 4.320 0.000 0.000 0.218 135 A C 2.064 179.650 177.584 0.002 0.000 1.203 135 A CA 2.092 54.132 52.037 0.004 0.000 0.638 135 A CB -1.457 17.561 19.000 0.030 0.000 0.831 135 A HN 0.847 nan 8.150 nan 0.000 0.450 136 G N -0.656 108.214 108.800 0.116 0.000 2.501 136 G HA2 -0.218 3.742 3.960 0.000 0.000 0.220 136 G HA3 -0.218 3.742 3.960 0.000 0.000 0.220 136 G C 0.878 175.710 174.900 -0.113 0.000 1.114 136 G CA 0.635 45.845 45.100 0.183 0.000 0.757 136 G HN 0.465 nan 8.290 nan 0.000 0.559 137 N N 0.977 119.333 118.700 -0.573 0.000 2.670 137 N HA 0.073 4.813 4.740 0.000 0.000 0.296 137 N C 1.656 176.861 175.510 -0.508 0.000 1.216 137 N CA -0.087 52.312 53.050 -1.085 0.000 1.123 137 N CB -0.080 37.775 38.487 -1.052 0.000 1.459 137 N HN 0.318 nan 8.380 nan 0.000 0.509 138 R N 1.294 121.594 120.500 -0.334 0.000 2.082 138 R HA -0.112 4.228 4.340 0.000 0.000 0.234 138 R C 1.712 177.907 176.300 -0.176 0.000 1.136 138 R CA 1.353 57.346 56.100 -0.179 0.000 0.935 138 R CB 0.001 30.244 30.300 -0.095 0.000 0.842 138 R HN 0.498 nan 8.270 nan 0.000 0.430 139 R N -0.018 120.355 120.500 -0.213 0.000 2.112 139 R HA -0.143 4.197 4.340 0.000 0.000 0.242 139 R C 2.468 178.702 176.300 -0.110 0.000 1.137 139 R CA 2.016 58.006 56.100 -0.183 0.000 0.944 139 R CB -0.539 29.597 30.300 -0.272 0.000 0.857 139 R HN 0.174 nan 8.270 nan 0.000 0.435 140 S N 1.146 116.764 115.700 -0.138 0.000 2.368 140 S HA -0.057 4.413 4.470 0.000 0.000 0.225 140 S C 2.037 176.706 174.600 0.115 0.000 1.030 140 S CA 0.964 59.218 58.200 0.090 0.000 0.999 140 S CB -0.174 62.932 63.200 -0.157 0.000 0.844 140 S HN 0.218 nan 8.310 nan 0.000 0.459 141 L N 0.955 122.155 121.223 -0.039 0.000 2.131 141 L HA -0.145 4.195 4.340 0.000 0.000 0.210 141 L C 2.697 179.566 176.870 -0.002 0.000 1.092 141 L CA 1.060 55.889 54.840 -0.019 0.000 0.759 141 L CB -0.657 41.358 42.059 -0.072 0.000 0.903 141 L HN 0.319 nan 8.230 nan 0.000 0.435 142 A N -0.176 122.630 122.820 -0.023 0.000 1.855 142 A HA -0.131 4.189 4.320 0.000 0.000 0.215 142 A C 2.328 179.895 177.584 -0.029 0.000 1.191 142 A CA 1.662 53.679 52.037 -0.033 0.000 0.613 142 A CB -0.793 18.176 19.000 -0.052 0.000 0.829 142 A HN 0.155 nan 8.150 nan 0.000 0.442 143 V N 0.141 120.043 119.914 -0.020 0.000 2.255 143 V HA -0.290 3.830 4.120 0.000 0.000 0.247 143 V C 3.086 179.143 176.094 -0.063 0.000 1.051 143 V CA 2.081 64.321 62.300 -0.099 0.000 1.018 143 V CB -1.478 30.212 31.823 -0.222 0.000 0.641 143 V HN 0.625 nan 8.190 nan 0.000 0.445 144 A N 0.119 122.991 122.820 0.086 0.000 1.903 144 A HA -0.249 4.071 4.320 0.000 0.000 0.219 144 A C 2.418 180.022 177.584 0.034 0.000 1.191 144 A CA 2.729 54.836 52.037 0.115 0.000 0.638 144 A CB -0.939 18.169 19.000 0.180 0.000 0.823 144 A HN 0.638 nan 8.150 nan 0.000 0.451 145 A N -0.842 121.986 122.820 0.013 0.000 1.898 145 A HA -0.111 4.209 4.320 0.000 0.000 0.216 145 A C 2.197 179.768 177.584 -0.022 0.000 1.181 145 A CA 1.739 53.772 52.037 -0.007 0.000 0.620 145 A CB -0.431 18.560 19.000 -0.015 0.000 0.819 145 A HN 0.512 nan 8.150 nan 0.000 0.442 146 R N -0.568 119.908 120.500 -0.039 0.000 2.193 146 R HA -0.061 4.279 4.340 0.000 0.000 0.229 146 R C 1.005 177.270 176.300 -0.058 0.000 1.110 146 R CA 1.417 57.484 56.100 -0.054 0.000 0.988 146 R CB -0.184 30.071 30.300 -0.075 0.000 0.871 146 R HN 0.317 nan 8.270 nan 0.000 0.458 147 V N -0.657 119.223 119.914 -0.058 0.000 3.647 147 V HA 0.261 4.381 4.120 0.000 0.000 0.279 147 V C 1.113 177.193 176.094 -0.023 0.000 1.314 147 V CA 0.690 62.957 62.300 -0.055 0.000 1.125 147 V CB 0.452 32.229 31.823 -0.078 0.000 0.907 147 V HN 0.616 nan 8.190 nan 0.000 0.434 148 G N 0.648 109.439 108.800 -0.015 0.000 2.157 148 G HA2 -0.237 3.723 3.960 0.000 0.000 0.248 148 G HA3 -0.237 3.723 3.960 0.000 0.000 0.248 148 G C 0.073 174.978 174.900 0.009 0.000 0.979 148 G CA -0.093 45.004 45.100 -0.004 0.000 0.650 148 G HN 0.442 nan 8.290 nan 0.000 0.529 149 L N 2.697 123.933 121.223 0.021 0.000 2.295 149 L HA 0.473 4.814 4.340 0.000 0.000 0.288 149 L C 1.297 178.183 176.870 0.025 0.000 1.079 149 L CA 0.214 55.078 54.840 0.039 0.000 0.830 149 L CB 0.931 43.034 42.059 0.074 0.000 1.200 149 L HN 0.384 nan 8.230 nan 0.000 0.438 150 T N -0.065 114.498 114.554 0.015 0.000 2.909 150 T HA 0.236 4.586 4.350 0.000 0.000 0.286 150 T C -0.036 174.661 174.700 -0.004 0.000 1.002 150 T CA -0.849 61.252 62.100 0.001 0.000 1.074 150 T CB 1.513 70.379 68.868 -0.004 0.000 0.984 150 T HN 0.578 nan 8.240 nan 0.000 0.495 151 E N 1.400 121.588 120.200 -0.020 0.000 2.384 151 E HA 0.116 4.466 4.350 0.000 0.000 0.266 151 E C 0.516 177.092 176.600 -0.041 0.000 1.012 151 E CA -0.779 55.598 56.400 -0.037 0.000 0.901 151 E CB 0.467 30.135 29.700 -0.053 0.000 0.967 151 E HN 0.587 nan 8.360 nan 0.000 0.435 152 R N 2.810 123.279 120.500 -0.051 0.000 2.276 152 R HA 0.382 4.722 4.340 0.000 0.000 0.195 152 R C -0.013 176.246 176.300 -0.068 0.000 0.908 152 R CA 0.601 56.672 56.100 -0.047 0.000 1.083 152 R CB 0.151 30.432 30.300 -0.031 0.000 1.182 152 R HN 0.474 nan 8.270 nan 0.000 0.608 153 A N 0.512 123.270 122.820 -0.104 0.000 2.529 153 A HA 0.817 5.137 4.320 0.000 0.000 0.296 153 A C -1.301 176.187 177.584 -0.160 0.000 1.205 153 A CA -0.574 51.391 52.037 -0.121 0.000 0.671 153 A CB 1.765 20.689 19.000 -0.128 0.000 1.301 153 A HN 0.059 nan 8.150 nan 0.000 0.450 154 R N -1.479 118.927 120.500 -0.156 0.000 2.739 154 R HA 0.706 5.046 4.340 0.000 0.000 0.271 154 R C -2.126 174.082 176.300 -0.152 0.000 1.010 154 R CA -0.587 55.417 56.100 -0.159 0.000 0.897 154 R CB 2.095 32.329 30.300 -0.110 0.000 1.236 154 R HN 0.920 nan 8.270 nan 0.000 0.466 155 L N -0.810 120.326 121.223 -0.146 0.000 2.582 155 L HA 0.800 5.140 4.340 0.000 0.000 0.257 155 L C -0.902 175.921 176.870 -0.077 0.000 0.974 155 L CA -1.093 53.681 54.840 -0.110 0.000 0.851 155 L CB 1.650 43.623 42.059 -0.144 0.000 1.424 155 L HN 0.623 nan 8.230 nan 0.000 0.412 156 A N 1.027 123.811 122.820 -0.060 0.000 2.354 156 A HA 0.831 5.151 4.320 0.000 0.000 0.269 156 A C -0.355 177.155 177.584 -0.123 0.000 1.109 156 A CA -0.089 51.898 52.037 -0.084 0.000 0.800 156 A CB 0.826 19.794 19.000 -0.053 0.000 1.045 156 A HN 0.778 nan 8.150 nan 0.000 0.489 157 Q N -0.680 118.935 119.800 -0.309 0.000 2.590 157 Q HA 0.421 4.761 4.340 0.000 0.000 0.295 157 Q C -1.899 173.728 176.000 -0.622 0.000 0.973 157 Q CA -0.730 54.839 55.803 -0.391 0.000 0.768 157 Q CB 2.453 30.974 28.738 -0.361 0.000 1.479 157 Q HN 0.925 nan 8.270 nan 0.000 0.419 158 H N 0.098 118.917 119.070 -0.419 0.000 2.856 158 H HA 0.465 5.021 4.556 0.000 0.000 0.355 158 H C -1.949 173.407 175.328 0.047 0.000 1.079 158 H CA -0.288 55.602 56.048 -0.265 0.000 1.240 158 H CB 0.786 30.486 29.762 -0.102 0.000 1.701 158 H HN 0.377 nan 8.280 nan 0.000 0.527 159 Y N 5.551 125.574 120.300 -0.461 0.000 2.323 159 Y HA 0.248 4.798 4.550 0.000 0.000 0.331 159 Y C -1.541 173.967 175.900 -0.653 0.000 1.092 159 Y CA -2.975 54.929 58.100 -0.325 0.000 1.150 159 Y CB 1.169 39.538 38.460 -0.152 0.000 1.200 159 Y HN 0.626 nan 8.280 nan 0.000 0.472 160 P HA -0.208 nan 4.420 nan 0.000 0.217 160 P C 0.762 178.108 177.300 0.077 0.000 1.151 160 P CA 2.177 65.271 63.100 -0.010 0.000 0.849 160 P CB -0.019 31.745 31.700 0.106 0.000 0.787 161 H N -3.478 115.600 119.070 0.014 0.000 2.547 161 H HA 0.224 4.780 4.556 0.000 0.000 0.266 161 H C 0.583 175.960 175.328 0.082 0.000 0.988 161 H CA -0.281 55.798 56.048 0.051 0.000 1.147 161 H CB -0.166 29.622 29.762 0.045 0.000 1.365 161 H HN -0.138 nan 8.280 nan 0.000 0.589 162 R N 1.965 122.324 120.500 -0.236 0.000 2.404 162 R HA 0.131 4.471 4.340 0.000 0.000 0.291 162 R C -1.618 174.773 176.300 0.152 0.000 1.025 162 R CA -2.143 53.899 56.100 -0.097 0.000 0.991 162 R CB 0.893 31.132 30.300 -0.102 0.000 1.053 162 R HN 0.257 nan 8.270 nan 0.000 0.479 163 P HA -0.035 nan 4.420 nan 0.000 0.217 163 P C 0.370 177.710 177.300 0.067 0.000 1.151 163 P CA 0.906 64.053 63.100 0.077 0.000 0.828 163 P CB 0.491 32.212 31.700 0.035 0.000 0.788 164 G N -0.314 108.532 108.800 0.076 0.000 2.672 164 G HA2 0.552 4.512 3.960 0.000 0.000 0.292 164 G HA3 0.552 4.512 3.960 0.000 0.000 0.292 164 G C -3.071 171.881 174.900 0.086 0.000 1.375 164 G CA -1.397 43.715 45.100 0.022 0.000 0.890 164 G HN -0.149 nan 8.290 nan 0.000 0.476 165 P HA 0.191 nan 4.420 nan 0.000 0.280 165 P C -0.657 176.644 177.300 0.001 0.000 1.278 165 P CA 0.101 63.187 63.100 -0.024 0.000 0.787 165 P CB 0.626 32.263 31.700 -0.105 0.000 1.163 166 H N -3.590 115.449 119.070 -0.052 0.000 2.918 166 H HA 0.474 5.030 4.556 0.000 0.000 0.303 166 H C -1.447 173.845 175.328 -0.060 0.000 1.380 166 H CA -0.836 55.172 56.048 -0.066 0.000 1.134 166 H CB 1.106 30.796 29.762 -0.119 0.000 1.842 166 H HN 0.372 nan 8.280 nan 0.000 0.533 167 E N 1.038 121.365 120.200 0.213 0.000 2.179 167 E HA 0.340 4.690 4.350 0.000 0.000 0.275 167 E C -0.847 175.853 176.600 0.168 0.000 0.945 167 E CA -0.988 55.480 56.400 0.114 0.000 0.792 167 E CB 1.266 30.993 29.700 0.046 0.000 1.125 167 E HN 0.290 nan 8.360 nan 0.000 0.397 168 M N 3.762 123.407 119.600 0.075 0.000 2.181 168 M HA 0.299 4.779 4.480 0.000 0.000 0.323 168 M C -1.114 175.121 176.300 -0.109 0.000 1.004 168 M CA -0.921 54.398 55.300 0.032 0.000 0.941 168 M CB 1.463 34.100 32.600 0.062 0.000 1.579 168 M HN 0.277 nan 8.290 nan 0.000 0.427 169 V N 4.259 124.116 119.914 -0.096 0.000 2.546 169 V HA 0.403 4.523 4.120 0.000 0.000 0.284 169 V C 0.096 176.060 176.094 -0.216 0.000 1.050 169 V CA -0.718 61.499 62.300 -0.140 0.000 0.981 169 V CB 1.559 33.330 31.823 -0.088 0.000 0.990 169 V HN 0.563 nan 8.190 nan 0.000 0.474 170 V N 6.404 126.152 119.914 -0.277 0.000 2.293 170 V HA 0.374 4.494 4.120 0.000 0.000 0.275 170 V C -0.188 175.831 176.094 -0.125 0.000 1.021 170 V CA -0.313 61.782 62.300 -0.341 0.000 0.815 170 V CB 0.939 32.448 31.823 -0.524 0.000 1.025 170 V HN 0.595 nan 8.190 nan 0.000 0.448 171 L N 3.762 124.972 121.223 -0.022 0.000 2.416 171 L HA 0.957 5.297 4.340 0.000 0.000 0.262 171 L C 0.835 177.742 176.870 0.063 0.000 1.093 171 L CA 0.460 55.313 54.840 0.021 0.000 0.801 171 L CB 1.350 43.438 42.059 0.049 0.000 1.191 171 L HN 0.673 nan 8.230 nan 0.000 0.459 172 G N 0.154 108.985 108.800 0.052 0.000 2.687 172 G HA2 0.677 4.637 3.960 0.000 0.000 0.291 172 G HA3 0.677 4.637 3.960 0.000 0.000 0.291 172 G C -1.776 173.154 174.900 0.050 0.000 1.420 172 G CA -0.547 44.592 45.100 0.066 0.000 0.796 172 G HN 0.498 nan 8.290 nan 0.000 0.485 173 K N -0.248 120.182 120.400 0.050 0.000 2.589 173 K HA 0.534 4.854 4.320 0.000 0.000 0.298 173 K C -0.603 176.017 176.600 0.034 0.000 1.136 173 K CA -0.483 55.826 56.287 0.036 0.000 1.020 173 K CB 0.994 33.516 32.500 0.036 0.000 1.345 173 K HN 0.992 nan 8.250 nan 0.000 0.478 174 A N 3.074 125.909 122.820 0.025 0.000 2.246 174 A HA 0.462 4.782 4.320 0.000 0.000 0.291 174 A C 0.999 178.591 177.584 0.014 0.000 1.103 174 A CA -0.469 51.581 52.037 0.021 0.000 0.844 174 A CB 0.578 19.589 19.000 0.019 0.000 1.136 174 A HN 0.943 nan 8.150 nan 0.000 0.500 175 R N 0.205 120.711 120.500 0.010 0.000 2.055 175 R HA 0.252 4.592 4.340 0.000 0.000 0.226 175 R C 0.599 176.901 176.300 0.003 0.000 1.135 175 R CA 1.279 57.382 56.100 0.004 0.000 0.959 175 R CB -0.283 30.017 30.300 0.000 0.000 0.854 175 R HN 0.607 nan 8.270 nan 0.000 0.431 176 A N 2.289 125.111 122.820 0.005 0.000 2.285 176 A HA 0.258 4.578 4.320 0.000 0.000 0.310 176 A C -0.898 176.690 177.584 0.006 0.000 1.266 176 A CA -0.761 51.278 52.037 0.004 0.000 0.832 176 A CB 0.930 19.932 19.000 0.003 0.000 1.163 176 A HN 0.089 nan 8.150 nan 0.000 0.499 177 E N 3.124 123.328 120.200 0.005 0.000 2.292 177 E HA 0.037 4.387 4.350 0.000 0.000 0.265 177 E C 0.329 176.932 176.600 0.005 0.000 1.093 177 E CA 0.064 56.468 56.400 0.006 0.000 0.922 177 E CB 0.572 30.274 29.700 0.004 0.000 1.001 177 E HN 0.779 nan 8.360 nan 0.000 0.444 178 E N 4.641 124.845 120.200 0.006 0.000 2.502 178 E HA -0.065 4.285 4.350 0.000 0.000 0.261 178 E C -1.821 174.782 176.600 0.005 0.000 0.974 178 E CA -0.925 55.478 56.400 0.006 0.000 0.936 178 E CB 0.363 30.067 29.700 0.007 0.000 0.926 178 E HN 0.153 nan 8.360 nan 0.000 0.459 179 P HA 0.057 nan 4.420 nan 0.000 0.218 179 P C 0.285 177.587 177.300 0.004 0.000 1.152 179 P CA 0.792 63.894 63.100 0.003 0.000 0.826 179 P CB 0.272 31.974 31.700 0.003 0.000 0.790 180 L N -1.420 119.806 121.223 0.004 0.000 2.334 180 L HA 0.643 4.983 4.340 0.000 0.000 0.275 180 L C 0.319 177.192 176.870 0.005 0.000 1.036 180 L CA -0.273 54.570 54.840 0.005 0.000 0.807 180 L CB 1.777 43.839 42.059 0.005 0.000 1.231 180 L HN -0.133 nan 8.230 nan 0.000 0.438 181 T N -0.058 114.499 114.554 0.005 0.000 2.775 181 T HA 0.297 4.647 4.350 0.000 0.000 0.320 181 T C -1.293 173.411 174.700 0.006 0.000 1.597 181 T CA -0.396 61.708 62.100 0.005 0.000 1.022 181 T CB 1.787 70.658 68.868 0.004 0.000 1.485 181 T HN 0.549 nan 8.240 nan 0.000 0.494 182 T N 3.411 117.968 114.554 0.006 0.000 2.771 182 T HA 0.478 4.828 4.350 0.000 0.000 0.281 182 T C 0.890 175.593 174.700 0.006 0.000 0.982 182 T CA -0.385 61.720 62.100 0.007 0.000 0.978 182 T CB 1.126 69.998 68.868 0.007 0.000 0.930 182 T HN 0.393 nan 8.240 nan 0.000 0.447 183 L N 2.362 123.590 121.223 0.008 0.000 2.463 183 L HA 0.578 4.918 4.340 0.000 0.000 0.219 183 L C 1.042 177.917 176.870 0.009 0.000 1.088 183 L CA 0.439 55.283 54.840 0.006 0.000 0.849 183 L CB 0.018 42.081 42.059 0.007 0.000 1.012 183 L HN 0.772 nan 8.230 nan 0.000 0.468 184 A N -1.483 121.346 122.820 0.015 0.000 2.586 184 A HA 0.693 5.013 4.320 0.000 0.000 0.291 184 A C -1.714 175.885 177.584 0.026 0.000 1.062 184 A CA -0.487 51.562 52.037 0.020 0.000 0.666 184 A CB 1.144 20.159 19.000 0.025 0.000 1.281 184 A HN -0.295 nan 8.150 nan 0.000 0.421 185 V N 1.450 121.382 119.914 0.030 0.000 2.409 185 V HA 0.477 4.597 4.120 0.000 0.000 0.290 185 V C -1.246 174.879 176.094 0.050 0.000 1.017 185 V CA -0.122 62.199 62.300 0.034 0.000 0.841 185 V CB 1.147 32.985 31.823 0.024 0.000 1.003 185 V HN 0.622 nan 8.190 nan 0.000 0.426 186 I N 4.157 124.765 120.570 0.063 0.000 2.330 186 I HA 0.450 4.620 4.170 0.000 0.000 0.289 186 I C 0.482 176.655 176.117 0.094 0.000 1.001 186 I CA 0.058 61.411 61.300 0.088 0.000 1.193 186 I CB 1.899 39.954 38.000 0.092 0.000 1.345 186 I HN 0.593 nan 8.210 nan 0.000 0.461 187 T N 4.644 119.260 114.554 0.103 0.000 2.875 187 T HA 0.414 4.764 4.350 0.000 0.000 0.284 187 T C -0.315 174.448 174.700 0.105 0.000 0.995 187 T CA -0.537 61.602 62.100 0.065 0.000 1.060 187 T CB 0.925 69.788 68.868 -0.008 0.000 0.967 187 T HN 0.684 nan 8.240 nan 0.000 0.476 188 E N 3.422 123.671 120.200 0.081 0.000 2.277 188 E HA 0.495 4.845 4.350 0.000 0.000 0.274 188 E C -1.066 175.547 176.600 0.021 0.000 1.022 188 E CA -0.670 55.801 56.400 0.118 0.000 0.853 188 E CB 0.721 30.504 29.700 0.138 0.000 1.086 188 E HN 0.602 nan 8.360 nan 0.000 0.397 189 L N 6.352 127.602 121.223 0.046 0.000 2.377 189 L HA 0.386 4.726 4.340 0.000 0.000 0.270 189 L C -2.252 174.640 176.870 0.037 0.000 0.991 189 L CA -2.292 52.493 54.840 -0.093 0.000 0.851 189 L CB 1.945 43.913 42.059 -0.151 0.000 1.218 189 L HN 0.489 nan 8.230 nan 0.000 0.420 190 P HA 0.095 nan 4.420 nan 0.000 0.269 190 P C -0.661 176.793 177.300 0.256 0.000 1.252 190 P CA 0.054 63.252 63.100 0.163 0.000 0.780 190 P CB 1.086 32.875 31.700 0.149 0.000 0.829 191 V N 2.258 122.278 119.914 0.177 0.000 3.040 191 V HA 0.496 4.616 4.120 0.000 0.000 0.312 191 V C 1.372 177.523 176.094 0.094 0.000 1.115 191 V CA -1.053 61.335 62.300 0.146 0.000 0.998 191 V CB 2.627 34.535 31.823 0.141 0.000 1.042 191 V HN 0.242 nan 8.190 nan 0.000 0.433 192 R N 0.523 121.060 120.500 0.063 0.000 2.070 192 R HA 0.024 4.364 4.340 0.000 0.000 0.227 192 R C 0.274 176.603 176.300 0.049 0.000 1.147 192 R CA 1.683 57.811 56.100 0.046 0.000 0.924 192 R CB -0.260 30.057 30.300 0.027 0.000 0.827 192 R HN 0.905 nan 8.270 nan 0.000 0.431 193 D N 1.236 121.661 120.400 0.043 0.000 2.485 193 D HA 0.110 4.750 4.640 0.000 0.000 0.221 193 D C 1.139 177.464 176.300 0.043 0.000 1.112 193 D CA -0.166 53.858 54.000 0.039 0.000 0.911 193 D CB 1.109 41.926 40.800 0.027 0.000 1.019 193 D HN -0.195 nan 8.370 nan 0.000 0.516 194 V N 3.602 123.547 119.914 0.050 0.000 2.278 194 V HA -0.318 3.802 4.120 0.000 0.000 0.251 194 V C 2.446 178.551 176.094 0.018 0.000 1.062 194 V CA 2.308 64.634 62.300 0.043 0.000 1.038 194 V CB -0.790 31.063 31.823 0.050 0.000 0.646 194 V HN 0.633 nan 8.190 nan 0.000 0.447 195 A N 0.075 122.905 122.820 0.017 0.000 1.851 195 A HA -0.178 4.142 4.320 0.000 0.000 0.216 195 A C 2.490 180.076 177.584 0.003 0.000 1.195 195 A CA 2.577 54.617 52.037 0.004 0.000 0.622 195 A CB -1.138 17.867 19.000 0.009 0.000 0.831 195 A HN 0.625 nan 8.150 nan 0.000 0.444 196 A N -1.095 121.732 122.820 0.012 0.000 1.873 196 A HA -0.181 4.140 4.320 0.000 0.000 0.218 196 A C 2.332 179.926 177.584 0.016 0.000 1.193 196 A CA 2.705 54.749 52.037 0.012 0.000 0.629 196 A CB -1.583 17.427 19.000 0.016 0.000 0.826 196 A HN 0.482 nan 8.150 nan 0.000 0.447 197 T N 0.311 114.881 114.554 0.027 0.000 2.635 197 T HA -0.170 4.180 4.350 0.000 0.000 0.267 197 T C 1.831 176.546 174.700 0.025 0.000 1.040 197 T CA 1.615 63.740 62.100 0.042 0.000 1.156 197 T CB -0.481 68.428 68.868 0.068 0.000 0.863 197 T HN 0.346 nan 8.240 nan 0.000 0.430 198 L N 0.168 121.389 121.223 -0.003 0.000 2.043 198 L HA -0.190 4.151 4.340 0.000 0.000 0.212 198 L C 2.883 179.733 176.870 -0.034 0.000 1.075 198 L CA 1.586 56.401 54.840 -0.042 0.000 0.752 198 L CB -0.341 41.678 42.059 -0.067 0.000 0.891 198 L HN 0.153 nan 8.230 nan 0.000 0.432 199 R N -0.727 119.761 120.500 -0.019 0.000 2.091 199 R HA -0.177 4.163 4.340 0.000 0.000 0.238 199 R C 2.243 178.538 176.300 -0.008 0.000 1.136 199 R CA 1.304 57.394 56.100 -0.017 0.000 0.959 199 R CB -0.374 29.919 30.300 -0.010 0.000 0.856 199 R HN 0.312 nan 8.270 nan 0.000 0.437 200 L N 0.316 121.542 121.223 0.005 0.000 1.961 200 L HA -0.213 4.127 4.340 0.000 0.000 0.210 200 L C 2.081 178.964 176.870 0.022 0.000 1.072 200 L CA 1.695 56.545 54.840 0.017 0.000 0.749 200 L CB -0.431 41.646 42.059 0.031 0.000 0.889 200 L HN 0.103 nan 8.230 nan 0.000 0.432 201 V N 0.100 120.035 119.914 0.034 0.000 2.380 201 V HA -0.349 3.771 4.120 0.000 0.000 0.251 201 V C 2.415 178.511 176.094 0.003 0.000 1.063 201 V CA 2.173 64.500 62.300 0.045 0.000 1.055 201 V CB -0.620 31.242 31.823 0.064 0.000 0.657 201 V HN 0.517 nan 8.190 nan 0.000 0.455 202 E N -0.464 119.721 120.200 -0.025 0.000 2.160 202 E HA -0.197 4.153 4.350 0.000 0.000 0.195 202 E C 2.121 178.706 176.600 -0.025 0.000 0.991 202 E CA 1.354 57.728 56.400 -0.042 0.000 0.810 202 E CB -0.168 29.500 29.700 -0.052 0.000 0.742 202 E HN 0.644 nan 8.360 nan 0.000 0.466 203 A N 0.241 123.054 122.820 -0.011 0.000 1.901 203 A HA 0.271 4.591 4.320 0.000 0.000 0.210 203 A C 2.229 179.816 177.584 0.006 0.000 1.208 203 A CA 0.863 52.895 52.037 -0.007 0.000 0.644 203 A CB -0.479 18.517 19.000 -0.008 0.000 0.863 203 A HN 0.313 nan 8.150 nan 0.000 0.454 204 A N 0.223 123.055 122.820 0.020 0.000 1.845 204 A HA 0.037 4.357 4.320 0.000 0.000 0.215 204 A C 1.740 179.358 177.584 0.056 0.000 1.195 204 A CA 1.504 53.566 52.037 0.041 0.000 0.616 204 A CB -0.678 18.357 19.000 0.058 0.000 0.832 204 A HN 0.464 nan 8.150 nan 0.000 0.443 205 L N -0.619 120.635 121.223 0.052 0.000 2.685 205 L HA 0.301 4.641 4.340 0.000 0.000 0.233 205 L C 1.350 178.234 176.870 0.024 0.000 1.173 205 L CA 0.218 55.089 54.840 0.052 0.000 0.961 205 L CB -0.584 41.516 42.059 0.068 0.000 1.217 205 L HN 0.537 nan 8.230 nan 0.000 0.478 206 G N 1.174 109.979 108.800 0.008 0.000 2.379 206 G HA2 -0.296 3.664 3.960 0.000 0.000 0.297 206 G HA3 -0.296 3.664 3.960 0.000 0.000 0.297 206 G C 0.610 175.488 174.900 -0.037 0.000 1.004 206 G CA 0.428 45.519 45.100 -0.014 0.000 0.921 206 G HN 0.574 nan 8.290 nan 0.000 0.511 207 A N -0.279 122.514 122.820 -0.045 0.000 2.296 207 A HA 0.960 5.280 4.320 0.000 0.000 0.276 207 A C 0.862 178.379 177.584 -0.112 0.000 1.356 207 A CA 0.816 52.799 52.037 -0.089 0.000 0.825 207 A CB 0.447 19.378 19.000 -0.116 0.000 1.308 207 A HN 1.910 nan 8.150 nan 0.000 0.515 208 R N -2.624 117.782 120.500 -0.156 0.000 2.690 208 R HA 0.488 4.828 4.340 0.000 0.000 0.269 208 R C -1.609 174.572 176.300 -0.198 0.000 1.037 208 R CA -0.478 55.530 56.100 -0.153 0.000 0.877 208 R CB 0.433 30.646 30.300 -0.145 0.000 1.255 208 R HN 0.446 nan 8.270 nan 0.000 0.467 209 T N 1.536 115.985 114.554 -0.174 0.000 2.761 209 T HA 0.366 4.716 4.350 0.000 0.000 0.296 209 T C 1.050 175.627 174.700 -0.206 0.000 0.934 209 T CA 0.063 62.037 62.100 -0.210 0.000 1.091 209 T CB 1.542 70.321 68.868 -0.149 0.000 0.896 209 T HN 0.679 nan 8.240 nan 0.000 0.515 210 A N 3.364 125.996 122.820 -0.314 0.000 2.081 210 A HA 0.529 4.849 4.320 0.000 0.000 0.214 210 A C 0.414 177.946 177.584 -0.087 0.000 1.158 210 A CA 0.334 52.225 52.037 -0.244 0.000 0.724 210 A CB -0.287 18.500 19.000 -0.355 0.000 0.826 210 A HN 0.877 nan 8.150 nan 0.000 0.463 211 F N -5.052 114.819 119.950 -0.132 0.000 3.032 211 F HA 0.633 5.160 4.527 -0.000 0.000 0.331 211 F C -1.003 174.712 175.800 -0.141 0.000 1.125 211 F CA -1.353 56.582 58.000 -0.109 0.000 0.873 211 F CB 0.229 39.180 39.000 -0.083 0.000 1.374 211 F HN 0.542 nan 8.300 nan 0.000 0.452 212 A N 0.923 123.992 122.820 0.414 0.000 2.605 212 A HA 0.783 5.104 4.320 0.000 0.000 0.294 212 A C -2.093 175.606 177.584 0.191 0.000 1.062 212 A CA -0.689 51.492 52.037 0.240 0.000 0.682 212 A CB 1.475 20.523 19.000 0.080 0.000 1.278 212 A HN 0.961 nan 8.150 nan 0.000 0.410 213 I N 2.298 122.980 120.570 0.188 0.000 2.390 213 I HA 0.543 4.713 4.170 0.000 0.000 0.283 213 I C 0.808 176.990 176.117 0.108 0.000 1.016 213 I CA 0.299 61.689 61.300 0.151 0.000 1.151 213 I CB 1.039 39.176 38.000 0.229 0.000 1.293 213 I HN 1.405 nan 8.210 nan 0.000 0.458 214 G N 5.102 113.944 108.800 0.069 0.000 2.846 214 G HA2 -0.229 3.732 3.960 0.000 0.000 0.660 214 G HA3 -0.229 3.732 3.960 0.000 0.000 0.660 214 G C -1.052 173.877 174.900 0.047 0.000 1.464 214 G CA -0.499 44.632 45.100 0.051 0.000 0.891 214 G HN 0.822 nan 8.290 nan 0.000 0.552 215 D N 0.549 120.970 120.400 0.035 0.000 2.629 215 D HA 0.661 5.302 4.640 0.000 0.000 0.250 215 D C -1.442 174.874 176.300 0.026 0.000 1.126 215 D CA -1.136 52.882 54.000 0.029 0.000 0.852 215 D CB 1.067 41.879 40.800 0.021 0.000 1.335 215 D HN 0.464 nan 8.370 nan 0.000 0.518 216 P HA 0.291 nan 4.420 nan 0.000 0.270 216 P C -2.605 174.720 177.300 0.041 0.000 1.223 216 P CA -1.113 62.004 63.100 0.029 0.000 0.785 216 P CB -0.260 31.456 31.700 0.027 0.000 0.923 217 P HA 0.025 nan 4.420 nan 0.000 0.264 217 P C 0.431 177.779 177.300 0.080 0.000 1.183 217 P CA 0.481 63.616 63.100 0.058 0.000 0.763 217 P CB 0.595 32.319 31.700 0.039 0.000 0.807 218 E N 0.968 121.240 120.200 0.120 0.000 2.421 218 E HA 0.149 4.499 4.350 0.000 0.000 0.209 218 E C -0.519 176.240 176.600 0.265 0.000 0.871 218 E CA 0.237 56.728 56.400 0.152 0.000 1.064 218 E CB 0.504 30.282 29.700 0.130 0.000 1.075 218 E HN 0.381 nan 8.360 nan 0.000 0.513 219 F N 0.512 120.517 119.950 0.092 0.000 2.651 219 F HA 0.509 5.036 4.527 -0.000 0.000 0.329 219 F C -1.570 174.360 175.800 0.217 0.000 1.186 219 F CA -0.684 57.396 58.000 0.133 0.000 1.046 219 F CB 0.886 39.967 39.000 0.133 0.000 1.296 219 F HN -0.124 nan 8.300 nan 0.000 0.497 220 A N 4.187 126.692 122.820 -0.526 0.000 2.437 220 A HA 0.808 5.128 4.320 0.000 0.000 0.288 220 A C -1.459 175.486 177.584 -1.066 0.000 1.201 220 A CA -0.696 50.988 52.037 -0.588 0.000 0.795 220 A CB 1.806 20.608 19.000 -0.329 0.000 1.359 220 A HN 0.699 nan 8.150 nan 0.000 0.435 221 E N 0.195 119.576 120.200 -1.366 0.000 2.279 221 E HA 0.524 4.875 4.350 0.000 0.000 0.252 221 E C -0.856 175.255 176.600 -0.814 0.000 0.894 221 E CA -0.552 55.129 56.400 -1.198 0.000 0.785 221 E CB 1.486 30.139 29.700 -1.745 0.000 1.237 221 E HN 0.855 nan 8.360 nan 0.000 0.418 222 A N 3.045 125.436 122.820 -0.715 0.000 2.354 222 A HA 0.638 4.959 4.320 0.000 0.000 0.281 222 A C -0.149 177.041 177.584 -0.656 0.000 1.174 222 A CA -0.156 51.461 52.037 -0.701 0.000 0.828 222 A CB 0.755 19.211 19.000 -0.906 0.000 1.099 222 A HN 0.551 nan 8.150 nan 0.000 0.516 223 A N 2.570 125.134 122.820 -0.426 0.000 2.292 223 A HA 0.612 4.932 4.320 0.000 0.000 0.319 223 A C 0.251 177.706 177.584 -0.216 0.000 1.206 223 A CA -0.533 51.335 52.037 -0.283 0.000 0.835 223 A CB 0.344 19.224 19.000 -0.199 0.000 1.164 223 A HN 0.882 nan 8.150 nan 0.000 0.505 224 L N 1.897 123.038 121.223 -0.138 0.000 2.667 224 L HA 0.208 4.548 4.340 0.000 0.000 0.232 224 L C 0.750 177.615 176.870 -0.009 0.000 1.138 224 L CA 0.495 55.298 54.840 -0.061 0.000 0.921 224 L CB -0.196 41.861 42.059 -0.003 0.000 1.180 224 L HN 0.811 nan 8.230 nan 0.000 0.487 225 T N -4.688 109.865 114.554 -0.002 0.000 2.916 225 T HA 0.396 4.747 4.350 0.000 0.000 0.305 225 T C -2.618 172.036 174.700 -0.075 0.000 1.119 225 T CA -1.729 60.416 62.100 0.075 0.000 1.008 225 T CB 2.244 71.281 68.868 0.283 0.000 1.129 225 T HN -0.246 nan 8.240 nan 0.000 0.480 226 P HA 0.219 nan 4.420 nan 0.000 0.259 226 P C -1.116 175.670 177.300 -0.857 0.000 1.480 226 P CA -0.168 62.559 63.100 -0.622 0.000 0.842 226 P CB -0.625 30.637 31.700 -0.731 0.000 1.513 227 W N -1.225 120.054 121.300 -0.035 0.000 2.799 227 W HA 0.397 5.057 4.660 0.000 0.000 0.349 227 W C 1.662 178.164 176.519 -0.028 0.000 1.100 227 W CA -0.596 56.733 57.345 -0.027 0.000 1.174 227 W CB 0.071 29.518 29.460 -0.022 0.000 1.427 227 W HN -0.376 nan 8.180 nan 0.000 0.547 228 S N 1.056 116.879 115.700 0.204 0.000 2.380 228 S HA -0.156 4.314 4.470 0.000 0.000 0.229 228 S C 0.704 175.360 174.600 0.094 0.000 1.050 228 S CA 1.982 60.249 58.200 0.111 0.000 1.100 228 S CB -0.467 62.795 63.200 0.104 0.000 0.984 228 S HN 0.532 nan 8.310 nan 0.000 0.434 229 A N -0.627 122.260 122.820 0.111 0.000 2.354 229 A HA 0.787 5.107 4.320 0.000 0.000 0.321 229 A C 0.275 177.909 177.584 0.082 0.000 1.125 229 A CA -0.008 52.073 52.037 0.073 0.000 0.799 229 A CB 1.453 20.484 19.000 0.052 0.000 1.293 229 A HN 0.924 nan 8.150 nan 0.000 0.452 230 G N -0.557 108.273 108.800 0.051 0.000 2.357 230 G HA2 0.375 4.335 3.960 0.000 0.000 0.289 230 G HA3 0.375 4.335 3.960 0.000 0.000 0.289 230 G C -3.387 171.532 174.900 0.031 0.000 1.302 230 G CA -0.659 44.469 45.100 0.047 0.000 0.936 230 G HN 0.630 nan 8.290 nan 0.000 0.513 231 P HA 0.271 nan 4.420 nan 0.000 0.255 231 P C -0.095 177.209 177.300 0.006 0.000 1.173 231 P CA 0.650 63.771 63.100 0.035 0.000 0.780 231 P CB 0.071 31.796 31.700 0.042 0.000 0.758 232 R N 3.014 123.517 120.500 0.004 0.000 2.687 232 R HA 0.594 4.935 4.340 0.000 0.000 0.265 232 R C -1.747 174.530 176.300 -0.039 0.000 1.048 232 R CA -0.827 55.194 56.100 -0.131 0.000 0.884 232 R CB 0.772 30.960 30.300 -0.187 0.000 1.258 232 R HN 0.302 nan 8.270 nan 0.000 0.469 233 F N -0.735 119.158 119.950 -0.095 0.000 2.599 233 F HA 0.680 5.207 4.527 0.000 0.000 0.311 233 F C -0.395 175.325 175.800 -0.132 0.000 1.076 233 F CA -1.472 56.477 58.000 -0.084 0.000 0.937 233 F CB 1.248 40.206 39.000 -0.069 0.000 1.282 233 F HN 0.281 nan 8.300 nan 0.000 0.460 234 R N 1.611 122.179 120.500 0.113 0.000 2.531 234 R HA 0.549 4.889 4.340 0.000 0.000 0.273 234 R C -1.438 174.922 176.300 0.100 0.000 1.070 234 R CA -0.836 55.260 56.100 -0.007 0.000 1.112 234 R CB 1.251 31.683 30.300 0.219 0.000 1.049 234 R HN 0.611 nan 8.270 nan 0.000 0.508 235 L N 1.576 122.764 121.223 -0.057 0.000 2.345 235 L HA 0.409 4.749 4.340 0.000 0.000 0.274 235 L C -0.471 176.502 176.870 0.171 0.000 0.999 235 L CA -0.419 54.459 54.840 0.063 0.000 0.849 235 L CB 1.409 43.460 42.059 -0.013 0.000 1.220 235 L HN 0.807 nan 8.230 nan 0.000 0.422 236 A N 3.025 126.008 122.820 0.272 0.000 2.312 236 A HA 0.922 5.243 4.320 0.000 0.000 0.326 236 A C -0.094 177.608 177.584 0.197 0.000 1.172 236 A CA -0.227 52.010 52.037 0.333 0.000 0.821 236 A CB 1.070 20.234 19.000 0.274 0.000 1.166 236 A HN 0.759 nan 8.150 nan 0.000 0.493 237 A N 1.054 123.979 122.820 0.175 0.000 2.302 237 A HA 0.716 5.036 4.320 0.000 0.000 0.285 237 A C -0.042 177.598 177.584 0.093 0.000 1.105 237 A CA -0.068 52.040 52.037 0.119 0.000 0.816 237 A CB 0.408 19.471 19.000 0.105 0.000 1.067 237 A HN 2.000 nan 8.150 nan 0.000 0.489 238 V N -0.528 119.431 119.914 0.075 0.000 2.971 238 V HA 0.551 4.672 4.120 0.000 0.000 0.309 238 V C -2.365 173.756 176.094 0.044 0.000 1.130 238 V CA -1.272 61.063 62.300 0.058 0.000 0.964 238 V CB 1.052 32.912 31.823 0.062 0.000 1.029 238 V HN 0.703 nan 8.190 nan 0.000 0.427 239 P HA 0.434 nan 4.420 nan 0.000 0.211 239 P C 0.703 178.015 177.300 0.021 0.000 1.191 239 P CA 1.674 64.790 63.100 0.026 0.000 0.909 239 P CB 0.062 31.775 31.700 0.021 0.000 0.770 240 G N -1.590 107.221 108.800 0.019 0.000 2.403 240 G HA2 0.060 4.020 3.960 0.000 0.000 0.223 240 G HA3 0.060 4.020 3.960 0.000 0.000 0.223 240 G C -2.041 172.866 174.900 0.011 0.000 1.287 240 G CA -0.128 44.980 45.100 0.014 0.000 0.982 240 G HN 0.007 nan 8.290 nan 0.000 0.471 241 P HA 0.198 nan 4.420 nan 0.000 0.222 241 P C 1.148 178.450 177.300 0.003 0.000 1.142 241 P CA 2.555 65.658 63.100 0.005 0.000 0.788 241 P CB -0.058 31.645 31.700 0.004 0.000 0.767 242 G N -2.277 106.524 108.800 0.002 0.000 2.200 242 G HA2 -0.121 3.839 3.960 0.000 0.000 0.145 242 G HA3 -0.121 3.839 3.960 0.000 0.000 0.145 242 G C -0.952 173.942 174.900 -0.010 0.000 1.021 242 G CA -0.006 45.091 45.100 -0.004 0.000 0.720 242 G HN 0.273 nan 8.290 nan 0.000 0.494 243 P HA 0.090 nan 4.420 nan 0.000 0.215 243 P C 0.928 178.218 177.300 -0.017 0.000 1.157 243 P CA 1.497 64.592 63.100 -0.008 0.000 0.868 243 P CB -0.127 31.573 31.700 -0.001 0.000 0.788 244 V N 0.276 120.185 119.914 -0.009 0.000 3.910 244 V HA -0.216 3.904 4.120 0.000 0.000 0.510 244 V C 0.294 176.381 176.094 -0.012 0.000 0.682 244 V CA 0.380 62.674 62.300 -0.011 0.000 2.016 244 V CB -1.880 29.905 31.823 -0.064 0.000 2.410 244 V HN 0.441 nan 8.190 nan 0.000 0.511 245 E N 8.169 128.391 120.200 0.036 0.000 2.152 245 E HA 0.511 4.861 4.350 0.000 0.000 0.285 245 E C -1.999 174.666 176.600 0.108 0.000 1.043 245 E CA -1.856 54.572 56.400 0.048 0.000 0.839 245 E CB 1.130 30.859 29.700 0.049 0.000 1.069 245 E HN 0.594 nan 8.360 nan 0.000 0.399 246 P HA -0.017 nan 4.420 nan 0.000 0.269 246 P C -1.122 176.328 177.300 0.249 0.000 1.217 246 P CA -0.216 62.999 63.100 0.193 0.000 0.783 246 P CB 0.614 32.350 31.700 0.060 0.000 0.898 247 V N 2.804 122.910 119.914 0.320 0.000 2.588 247 V HA 0.389 4.509 4.120 0.000 0.000 0.304 247 V C 0.235 176.324 176.094 -0.009 0.000 1.042 247 V CA -0.648 61.663 62.300 0.017 0.000 0.877 247 V CB 1.851 33.526 31.823 -0.247 0.000 0.996 247 V HN 0.397 nan 8.190 nan 0.000 0.425 248 R N 3.991 124.474 120.500 -0.030 0.000 2.229 248 R HA 0.688 5.028 4.340 0.000 0.000 0.328 248 R C -1.100 175.164 176.300 -0.061 0.000 1.009 248 R CA -0.133 55.948 56.100 -0.032 0.000 0.864 248 R CB 0.874 31.163 30.300 -0.018 0.000 1.085 248 R HN 0.599 nan 8.270 nan 0.000 0.453 249 L N 2.927 124.107 121.223 -0.073 0.000 2.356 249 L HA 0.366 4.706 4.340 0.000 0.000 0.277 249 L C -0.747 176.105 176.870 -0.030 0.000 0.996 249 L CA -0.994 53.793 54.840 -0.089 0.000 0.822 249 L CB 1.797 43.736 42.059 -0.200 0.000 1.256 249 L HN 0.607 nan 8.230 nan 0.000 0.413 250 H N 3.591 122.598 119.070 -0.105 0.000 2.519 250 H HA 0.466 5.022 4.556 0.000 0.000 0.316 250 H C -1.182 174.098 175.328 -0.079 0.000 1.065 250 H CA -0.316 55.677 56.048 -0.093 0.000 1.264 250 H CB 1.115 30.821 29.762 -0.093 0.000 1.413 250 H HN 0.269 nan 8.280 nan 0.000 0.465 251 L N 5.438 126.414 121.223 -0.412 0.000 2.276 251 L HA 0.237 4.577 4.340 0.000 0.000 0.286 251 L C -0.682 175.983 176.870 -0.343 0.000 1.024 251 L CA -0.506 54.165 54.840 -0.283 0.000 0.826 251 L CB 1.121 43.059 42.059 -0.201 0.000 1.211 251 L HN 0.705 nan 8.230 nan 0.000 0.422 252 D N 3.812 124.087 120.400 -0.209 0.000 2.365 252 D HA 0.535 5.176 4.640 0.000 0.000 0.237 252 D C 0.005 176.263 176.300 -0.069 0.000 1.190 252 D CA 0.171 54.093 54.000 -0.130 0.000 0.867 252 D CB 1.368 42.141 40.800 -0.045 0.000 1.050 252 D HN 0.554 nan 8.370 nan 0.000 0.491 253 A N 1.572 124.360 122.820 -0.055 0.000 2.288 253 A HA 0.869 5.189 4.320 0.000 0.000 0.328 253 A C -0.200 177.382 177.584 -0.003 0.000 1.123 253 A CA -0.618 51.410 52.037 -0.015 0.000 0.861 253 A CB 1.253 20.255 19.000 0.005 0.000 1.272 253 A HN 0.519 nan 8.150 nan 0.000 0.490 254 A N -0.662 122.163 122.820 0.007 0.000 2.269 254 A HA 0.891 5.212 4.320 0.000 0.000 0.327 254 A C 0.798 178.388 177.584 0.010 0.000 1.112 254 A CA 0.215 52.253 52.037 0.001 0.000 0.865 254 A CB 0.229 19.233 19.000 0.008 0.000 1.227 254 A HN 2.885 nan 8.150 nan 0.000 0.498 255 G N -0.801 107.998 108.800 -0.002 0.000 2.741 255 G HA2 0.222 4.182 3.960 0.000 0.000 0.222 255 G HA3 0.222 4.182 3.960 0.000 0.000 0.222 255 G C 0.189 175.085 174.900 -0.007 0.000 1.364 255 G CA 0.274 45.373 45.100 -0.001 0.000 0.866 255 G HN 2.345 nan 8.290 nan 0.000 0.555 256 T N -1.913 112.636 114.554 -0.008 0.000 2.889 256 T HA 0.720 5.070 4.350 0.000 0.000 0.291 256 T C 1.638 176.356 174.700 0.031 0.000 0.995 256 T CA 0.599 62.690 62.100 -0.015 0.000 1.092 256 T CB 1.607 70.453 68.868 -0.037 0.000 0.954 256 T HN 2.208 nan 8.240 nan 0.000 0.506 257 A N 2.298 125.143 122.820 0.042 0.000 1.969 257 A HA -0.064 4.256 4.320 0.000 0.000 0.218 257 A C 2.111 179.711 177.584 0.026 0.000 1.169 257 A CA 1.617 53.723 52.037 0.115 0.000 0.635 257 A CB -0.849 18.227 19.000 0.127 0.000 0.810 257 A HN 1.044 nan 8.150 nan 0.000 0.445 258 D N 0.295 120.677 120.400 -0.030 0.000 2.117 258 D HA -0.171 4.470 4.640 0.000 0.000 0.198 258 D C 2.016 178.309 176.300 -0.012 0.000 0.982 258 D CA 1.998 55.963 54.000 -0.058 0.000 0.828 258 D CB -0.246 40.518 40.800 -0.060 0.000 0.967 258 D HN 0.486 nan 8.370 nan 0.000 0.464 259 S N -0.234 115.464 115.700 -0.003 0.000 2.461 259 S HA -0.007 4.463 4.470 0.000 0.000 0.228 259 S C 2.429 177.038 174.600 0.015 0.000 1.005 259 S CA 0.007 58.208 58.200 0.001 0.000 0.942 259 S CB -0.371 62.831 63.200 0.002 0.000 0.776 259 S HN 0.295 nan 8.310 nan 0.000 0.514 260 L N 0.650 121.908 121.223 0.059 0.000 2.044 260 L HA 0.009 4.349 4.340 0.000 0.000 0.205 260 L C 2.806 179.733 176.870 0.095 0.000 1.075 260 L CA 1.810 56.736 54.840 0.143 0.000 0.747 260 L CB -0.623 41.612 42.059 0.293 0.000 0.903 260 L HN 0.500 nan 8.230 nan 0.000 0.435 261 H N -0.006 118.870 119.070 -0.323 0.000 2.389 261 H HA -0.189 4.367 4.556 0.000 0.000 0.299 261 H C 2.402 177.507 175.328 -0.373 0.000 1.081 261 H CA 1.728 57.230 56.048 -0.911 0.000 1.345 261 H CB 0.072 29.074 29.762 -1.266 0.000 1.393 261 H HN 0.078 nan 8.280 nan 0.000 0.520 262 R N 0.402 120.769 120.500 -0.221 0.000 2.105 262 R HA -0.169 4.171 4.340 0.000 0.000 0.239 262 R C 2.563 178.763 176.300 -0.166 0.000 1.135 262 R CA 1.715 57.707 56.100 -0.180 0.000 0.967 262 R CB -0.225 30.041 30.300 -0.056 0.000 0.861 262 R HN 0.394 nan 8.270 nan 0.000 0.442 263 R N -0.025 120.415 120.500 -0.100 0.000 2.073 263 R HA -0.053 4.288 4.340 0.000 0.000 0.229 263 R C 2.131 178.401 176.300 -0.049 0.000 1.120 263 R CA 1.420 57.491 56.100 -0.048 0.000 0.967 263 R CB -0.331 29.972 30.300 0.004 0.000 0.862 263 R HN 0.287 nan 8.270 nan 0.000 0.436 264 A N 0.459 123.254 122.820 -0.043 0.000 1.877 264 A HA -0.110 4.211 4.320 0.000 0.000 0.216 264 A C 2.280 179.816 177.584 -0.079 0.000 1.186 264 A CA 1.673 53.714 52.037 0.008 0.000 0.620 264 A CB -0.709 18.395 19.000 0.174 0.000 0.822 264 A HN 0.235 nan 8.150 nan 0.000 0.443 265 V N 0.583 120.360 119.914 -0.227 0.000 2.261 265 V HA -0.209 3.911 4.120 0.000 0.000 0.246 265 V C 1.874 177.898 176.094 -0.117 0.000 1.047 265 V CA 2.278 64.452 62.300 -0.210 0.000 1.015 265 V CB -0.754 30.858 31.823 -0.353 0.000 0.642 265 V HN 0.485 nan 8.190 nan 0.000 0.446 266 D N -0.011 120.321 120.400 -0.112 0.000 2.403 266 D HA -0.023 4.617 4.640 0.000 0.000 0.227 266 D C 1.212 177.486 176.300 -0.045 0.000 0.995 266 D CA 1.070 55.030 54.000 -0.067 0.000 0.928 266 D CB 0.067 40.831 40.800 -0.060 0.000 0.887 266 D HN 0.473 nan 8.370 nan 0.000 0.529 267 A N -0.870 121.925 122.820 -0.041 0.000 2.594 267 A HA 0.503 4.823 4.320 0.000 0.000 0.287 267 A C 1.392 178.967 177.584 -0.014 0.000 1.227 267 A CA 0.286 52.311 52.037 -0.021 0.000 0.952 267 A CB 0.053 19.048 19.000 -0.009 0.000 1.161 267 A HN 0.076 nan 8.150 nan 0.000 0.524 268 G N -0.280 108.506 108.800 -0.022 0.000 2.356 268 G HA2 0.071 4.031 3.960 0.000 0.000 0.296 268 G HA3 0.071 4.031 3.960 0.000 0.000 0.296 268 G C 0.421 175.320 174.900 -0.002 0.000 1.022 268 G CA 0.570 45.662 45.100 -0.014 0.000 0.961 268 G HN 1.660 nan 8.290 nan 0.000 0.510 269 A N -0.130 122.690 122.820 -0.000 0.000 2.316 269 A HA 0.751 5.071 4.320 0.000 0.000 0.284 269 A C 0.962 178.566 177.584 0.032 0.000 1.115 269 A CA -0.621 51.431 52.037 0.025 0.000 0.812 269 A CB 0.542 19.570 19.000 0.048 0.000 1.064 269 A HN 0.356 nan 8.150 nan 0.000 0.489 270 R N 2.447 122.973 120.500 0.042 0.000 2.853 270 R HA 0.192 4.532 4.340 0.000 0.000 0.238 270 R C -0.742 175.607 176.300 0.080 0.000 1.538 270 R CA 0.175 56.303 56.100 0.046 0.000 1.166 270 R CB -0.998 29.322 30.300 0.034 0.000 1.201 270 R HN 0.502 nan 8.270 nan 0.000 0.606 271 V N 3.091 123.064 119.914 0.098 0.000 2.649 271 V HA -0.042 4.078 4.120 0.000 0.000 0.292 271 V C 1.725 177.921 176.094 0.169 0.000 1.055 271 V CA -0.254 62.155 62.300 0.180 0.000 1.023 271 V CB 1.545 33.472 31.823 0.175 0.000 0.992 271 V HN 0.541 nan 8.190 nan 0.000 0.480 272 D N 2.490 123.018 120.400 0.213 0.000 2.123 272 D HA 0.065 4.705 4.640 0.000 0.000 0.196 272 D C 0.748 177.134 176.300 0.144 0.000 0.992 272 D CA 2.023 56.119 54.000 0.160 0.000 0.833 272 D CB 0.188 41.091 40.800 0.172 0.000 0.954 272 D HN 0.839 nan 8.370 nan 0.000 0.455 273 G N -1.636 107.277 108.800 0.189 0.000 2.344 273 G HA2 0.232 4.192 3.960 0.000 0.000 0.282 273 G HA3 0.232 4.192 3.960 0.000 0.000 0.282 273 G C -2.857 172.076 174.900 0.054 0.000 1.281 273 G CA -0.431 44.742 45.100 0.121 0.000 0.877 273 G HN 0.069 nan 8.290 nan 0.000 0.494 274 P HA 0.372 nan 4.420 nan 0.000 0.276 274 P C -2.632 174.465 177.300 -0.337 0.000 1.252 274 P CA -1.204 61.594 63.100 -0.504 0.000 0.802 274 P CB 0.388 31.905 31.700 -0.304 0.000 1.035 275 P HA 0.007 nan 4.420 nan 0.000 0.268 275 P C -0.513 176.747 177.300 -0.065 0.000 1.204 275 P CA 0.273 63.311 63.100 -0.103 0.000 0.768 275 P CB 0.495 32.139 31.700 -0.094 0.000 0.842 276 V N 4.602 124.515 119.914 -0.001 0.000 2.540 276 V HA 0.385 4.505 4.120 0.000 0.000 0.302 276 V C 0.211 176.270 176.094 -0.059 0.000 1.035 276 V CA -1.058 61.223 62.300 -0.033 0.000 0.873 276 V CB 1.424 33.235 31.823 -0.021 0.000 0.992 276 V HN 0.438 nan 8.190 nan 0.000 0.428 277 R N 5.169 125.614 120.500 -0.092 0.000 2.734 277 R HA 0.507 4.847 4.340 0.000 0.000 0.266 277 R C -0.342 175.799 176.300 -0.266 0.000 1.044 277 R CA -0.224 55.791 56.100 -0.143 0.000 1.128 277 R CB 0.470 30.703 30.300 -0.112 0.000 1.010 277 R HN 0.642 nan 8.270 nan 0.000 0.461 278 R N 1.507 121.741 120.500 -0.442 0.000 2.808 278 R HA 0.216 4.556 4.340 0.000 0.000 0.272 278 R C -2.018 173.851 176.300 -0.720 0.000 0.995 278 R CA -2.108 53.494 56.100 -0.831 0.000 0.917 278 R CB 1.131 30.365 30.300 -1.776 0.000 1.217 278 R HN 0.390 nan 8.270 nan 0.000 0.471 279 P HA -0.146 nan 4.420 nan 0.000 0.216 279 P C 0.696 177.943 177.300 -0.087 0.000 1.150 279 P CA 1.376 64.342 63.100 -0.223 0.000 0.843 279 P CB -0.050 31.608 31.700 -0.070 0.000 0.787 280 W N -1.196 120.126 121.300 0.036 0.000 3.391 280 W HA 0.480 5.140 4.660 0.000 0.000 0.275 280 W C 0.631 177.183 176.519 0.056 0.000 1.318 280 W CA -0.105 57.265 57.345 0.042 0.000 1.665 280 W CB -1.451 28.031 29.460 0.037 0.000 1.078 280 W HN 0.022 nan 8.180 nan 0.000 0.732 281 G N 2.086 110.851 108.800 -0.059 0.000 2.359 281 G HA2 -0.261 3.699 3.960 0.000 0.000 0.298 281 G HA3 -0.261 3.699 3.960 0.000 0.000 0.298 281 G C -0.069 174.869 174.900 0.064 0.000 1.030 281 G CA -0.334 44.769 45.100 0.004 0.000 1.149 281 G HN 0.392 nan 8.290 nan 0.000 0.512 282 R N -0.458 120.008 120.500 -0.056 0.000 2.515 282 R HA 0.363 4.703 4.340 0.000 0.000 0.278 282 R C -0.567 175.738 176.300 0.008 0.000 1.107 282 R CA -0.525 55.636 56.100 0.102 0.000 0.945 282 R CB 1.733 32.295 30.300 0.436 0.000 1.219 282 R HN 0.341 nan 8.270 nan 0.000 0.434 283 S N 2.737 118.462 115.700 0.041 0.000 2.399 283 S HA 0.279 4.749 4.470 0.000 0.000 0.301 283 S C 0.049 174.721 174.600 0.120 0.000 1.093 283 S CA -0.825 57.395 58.200 0.032 0.000 1.077 283 S CB 1.077 64.284 63.200 0.011 0.000 0.980 283 S HN 0.365 nan 8.310 nan 0.000 0.494 284 E N 2.337 122.622 120.200 0.142 0.000 2.243 284 E HA 0.747 5.097 4.350 0.000 0.000 0.260 284 E C -0.777 175.980 176.600 0.263 0.000 0.985 284 E CA -0.958 55.557 56.400 0.191 0.000 0.858 284 E CB 1.681 31.515 29.700 0.223 0.000 1.210 284 E HN 0.619 nan 8.360 nan 0.000 0.411 285 F N -2.130 117.859 119.950 0.065 0.000 2.665 285 F HA 0.536 5.063 4.527 0.000 0.000 0.308 285 F C -1.835 174.013 175.800 0.079 0.000 1.112 285 F CA -1.084 56.957 58.000 0.068 0.000 0.972 285 F CB 0.718 39.768 39.000 0.084 0.000 1.295 285 F HN 0.169 nan 8.300 nan 0.000 0.440 286 V N 3.556 123.543 119.914 0.122 0.000 2.850 286 V HA 0.611 4.731 4.120 0.000 0.000 0.315 286 V C -0.202 175.933 176.094 0.070 0.000 1.064 286 V CA -0.888 61.402 62.300 -0.017 0.000 0.979 286 V CB 2.000 33.846 31.823 0.038 0.000 1.039 286 V HN 0.773 nan 8.190 nan 0.000 0.452 287 I N 1.740 122.302 120.570 -0.013 0.000 2.533 287 I HA 0.473 4.643 4.170 0.000 0.000 0.290 287 I C -0.567 175.563 176.117 0.021 0.000 1.056 287 I CA -0.213 61.112 61.300 0.042 0.000 1.057 287 I CB 2.495 40.510 38.000 0.024 0.000 1.240 287 I HN 0.618 nan 8.210 nan 0.000 0.423 288 T N 6.335 120.911 114.554 0.037 0.000 2.807 288 T HA 0.627 4.977 4.350 0.000 0.000 0.279 288 T C -0.361 174.350 174.700 0.018 0.000 0.993 288 T CA -0.658 61.456 62.100 0.023 0.000 0.970 288 T CB 1.352 70.231 68.868 0.019 0.000 0.950 288 T HN 0.237 nan 8.240 nan 0.000 0.441 289 L N 4.328 125.559 121.223 0.014 0.000 2.307 289 L HA 0.349 4.689 4.340 0.000 0.000 0.282 289 L C -1.386 175.456 176.870 -0.045 0.000 1.051 289 L CA -2.415 52.430 54.840 0.008 0.000 0.804 289 L CB 0.862 42.954 42.059 0.055 0.000 1.197 289 L HN 0.320 nan 8.230 nan 0.000 0.431 290 P HA -0.295 nan 4.420 nan 0.000 0.226 290 P C 0.985 178.227 177.300 -0.097 0.000 1.154 290 P CA 1.560 64.632 63.100 -0.047 0.000 0.901 290 P CB 0.019 31.705 31.700 -0.024 0.000 0.788 291 E N -1.789 118.315 120.200 -0.159 0.000 2.409 291 E HA -0.043 4.307 4.350 0.000 0.000 0.198 291 E C 1.712 178.085 176.600 -0.379 0.000 1.024 291 E CA 1.370 57.609 56.400 -0.269 0.000 0.861 291 E CB -0.795 28.700 29.700 -0.342 0.000 0.788 291 E HN 0.414 nan 8.360 nan 0.000 0.521 292 G N 1.079 109.686 108.800 -0.322 0.000 2.352 292 G HA2 -0.185 3.775 3.960 0.000 0.000 0.204 292 G HA3 -0.185 3.775 3.960 0.000 0.000 0.204 292 G C 0.154 174.962 174.900 -0.154 0.000 1.004 292 G CA -0.145 44.823 45.100 -0.219 0.000 0.648 292 G HN 0.344 nan 8.290 nan 0.000 0.491 293 H N 2.454 121.509 119.070 -0.024 0.000 2.897 293 H HA 0.441 4.997 4.556 0.000 0.000 0.347 293 H C 0.567 175.868 175.328 -0.046 0.000 1.068 293 H CA 1.078 57.100 56.048 -0.044 0.000 1.426 293 H CB 0.465 30.186 29.762 -0.068 0.000 1.410 293 H HN 0.769 nan 8.280 nan 0.000 0.597 294 E N 2.398 122.641 120.200 0.072 0.000 2.256 294 E HA 0.531 4.881 4.350 0.000 0.000 0.268 294 E C -1.092 175.491 176.600 -0.027 0.000 0.877 294 E CA -0.977 55.433 56.400 0.016 0.000 0.757 294 E CB 1.908 31.618 29.700 0.016 0.000 1.183 294 E HN 0.427 nan 8.360 nan 0.000 0.418 295 L N 0.640 121.825 121.223 -0.064 0.000 2.377 295 L HA 0.461 4.801 4.340 0.000 0.000 0.270 295 L C 0.097 176.873 176.870 -0.156 0.000 0.991 295 L CA -1.082 53.690 54.840 -0.114 0.000 0.851 295 L CB 1.500 43.464 42.059 -0.159 0.000 1.218 295 L HN 0.590 nan 8.230 nan 0.000 0.420 296 T N 0.500 114.979 114.554 -0.124 0.000 2.779 296 T HA 0.443 4.793 4.350 0.000 0.000 0.296 296 T C 0.042 174.557 174.700 -0.309 0.000 0.938 296 T CA -0.389 61.612 62.100 -0.166 0.000 1.119 296 T CB 0.926 69.800 68.868 0.009 0.000 0.891 296 T HN 0.327 nan 8.240 nan 0.000 0.526 297 V N 5.236 124.822 119.914 -0.546 0.000 2.385 297 V HA 0.506 4.626 4.120 0.000 0.000 0.269 297 V C 0.602 176.504 176.094 -0.321 0.000 1.043 297 V CA -0.559 61.419 62.300 -0.538 0.000 0.906 297 V CB 1.031 32.344 31.823 -0.849 0.000 0.995 297 V HN 1.093 nan 8.190 nan 0.000 0.467 298 S N 5.274 120.837 115.700 -0.228 0.000 2.498 298 S HA 0.845 5.316 4.470 0.000 0.000 0.317 298 S C -0.333 174.268 174.600 0.002 0.000 1.090 298 S CA -0.145 58.023 58.200 -0.053 0.000 1.089 298 S CB 1.456 64.640 63.200 -0.026 0.000 0.997 298 S HN 1.068 nan 8.310 nan 0.000 0.470 299 A N 5.137 127.998 122.820 0.068 0.000 2.322 299 A HA 0.877 5.197 4.320 0.000 0.000 0.327 299 A C -1.739 175.876 177.584 0.052 0.000 1.134 299 A CA -2.076 49.992 52.037 0.052 0.000 0.831 299 A CB 0.731 19.768 19.000 0.063 0.000 1.288 299 A HN 0.656 nan 8.150 nan 0.000 0.472 300 P HA -0.030 nan 4.420 nan 0.000 0.220 300 P C 0.380 177.681 177.300 0.003 0.000 1.148 300 P CA 1.939 65.051 63.100 0.021 0.000 0.803 300 P CB -0.282 31.400 31.700 -0.031 0.000 0.782 301 V N 0.000 119.885 119.914 -0.049 0.000 2.409 301 V HA 0.000 4.120 4.120 0.000 0.000 0.244 301 V CA 0.000 62.238 62.300 -0.104 0.000 1.235 301 V CB 0.000 31.644 31.823 -0.299 0.000 1.184 301 V HN 0.000 nan 8.190 nan 0.000 0.556