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 2ej2_1_D DATA FIRST_RESID 2 DATA SEQUENCE QIKAGLIWMN GAFVPQEEAK TSVLSHALHY GTSVFEGIRA YETAKGPAIF DATA SEQUENCE RLKEHVKRFY NSAKVLRMEI PFAPEELEEA IKEVVRRNGY RSCYIRPLAW DATA SEQUENCE MGAKALGVNP LPNNPAEVMV AAWEWGAYLX XXXVRKGARL ITSSWARFPA DATA SEQUENCE NVMPGKAKVG GNYVNSALAK MEAVAAGADE ALLLDEEGYV AEGSGENLFF DATA SEQUENCE VRDGVIYALE HSVNLEGITR DSVIRIAKDL GYEVQVVRAT RDQLYMADEV DATA SEQUENCE FMTGTAAEVT PVSMIDWRPI GKGTAGPVAL RLREVYLEAV TGRRPEYEGW DATA SEQUENCE LTYVN 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 2 Q HA 0.000 nan 4.340 nan 0.000 0.214 2 Q C 0.000 175.924 176.000 -0.127 0.000 1.003 2 Q CA 0.000 55.747 55.803 -0.093 0.000 1.022 2 Q CB 0.000 28.702 28.738 -0.060 0.000 1.108 3 I N 1.597 122.070 120.570 -0.163 0.000 2.336 3 I HA 0.658 4.827 4.170 -0.001 0.000 0.292 3 I C 0.903 176.966 176.117 -0.090 0.000 0.991 3 I CA -0.727 60.430 61.300 -0.238 0.000 1.227 3 I CB 1.712 39.458 38.000 -0.423 0.000 1.366 3 I HN 0.910 nan 8.210 nan 0.000 0.466 4 K N 5.021 125.409 120.400 -0.019 0.000 2.222 4 K HA 0.594 4.914 4.320 -0.001 0.000 0.243 4 K C 0.644 177.391 176.600 0.246 0.000 1.160 4 K CA 0.255 56.604 56.287 0.103 0.000 1.090 4 K CB 0.301 32.873 32.500 0.121 0.000 1.694 4 K HN 0.855 nan 8.250 nan 0.000 0.361 5 A N 0.642 123.604 122.820 0.238 0.000 1.903 5 A HA 0.516 4.836 4.320 -0.001 0.000 0.213 5 A C 1.842 179.634 177.584 0.346 0.000 1.185 5 A CA 1.716 53.983 52.037 0.383 0.000 0.628 5 A CB -0.517 18.680 19.000 0.328 0.000 0.830 5 A HN 1.993 nan 8.150 nan 0.000 0.446 6 G N -0.892 108.035 108.800 0.211 0.000 2.527 6 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.262 6 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.262 6 G C -0.068 174.921 174.900 0.148 0.000 1.153 6 G CA -0.097 45.087 45.100 0.140 0.000 0.954 6 G HN 0.743 nan 8.290 nan 0.000 0.552 7 L N 1.253 122.555 121.223 0.132 0.000 2.361 7 L HA 0.515 4.854 4.340 -0.001 0.000 0.278 7 L C 0.421 177.529 176.870 0.396 0.000 1.113 7 L CA -0.084 54.890 54.840 0.223 0.000 0.849 7 L CB 0.520 42.654 42.059 0.126 0.000 1.155 7 L HN 0.364 nan 8.230 nan 0.000 0.452 8 I N 2.157 122.941 120.570 0.357 0.000 2.433 8 I HA 0.175 4.345 4.170 -0.001 0.000 0.292 8 I C -0.628 175.548 176.117 0.098 0.000 1.001 8 I CA -0.553 60.913 61.300 0.277 0.000 1.119 8 I CB 1.830 39.936 38.000 0.176 0.000 1.289 8 I HN 0.605 nan 8.210 nan 0.000 0.438 9 W N 8.492 129.561 121.300 -0.385 0.000 2.419 9 W HA 0.314 4.973 4.660 -0.001 0.000 0.312 9 W C -0.772 175.549 176.519 -0.329 0.000 1.323 9 W CA -0.336 56.527 57.345 -0.804 0.000 1.293 9 W CB 0.601 29.468 29.460 -0.989 0.000 1.324 9 W HN 0.254 nan 8.180 nan 0.000 0.512 10 M N 7.421 126.623 119.600 -0.663 0.000 2.043 10 M HA 0.097 4.577 4.480 -0.001 0.000 0.322 10 M C 0.114 175.941 176.300 -0.788 0.000 0.962 10 M CA -0.360 54.654 55.300 -0.477 0.000 0.927 10 M CB 0.952 33.441 32.600 -0.185 0.000 1.466 10 M HN 0.508 nan 8.290 nan 0.000 0.412 11 N N 2.895 121.057 118.700 -0.898 0.000 2.699 11 N HA -0.214 4.526 4.740 -0.001 0.000 0.256 11 N C 0.878 175.980 175.510 -0.679 0.000 0.993 11 N CA 1.410 54.072 53.050 -0.648 0.000 0.759 11 N CB -0.623 37.779 38.487 -0.141 0.000 0.906 11 N HN 1.186 nan 8.380 nan 0.000 0.541 12 G N -2.360 105.470 108.800 -1.617 0.000 2.218 12 G HA2 0.054 4.014 3.960 -0.001 0.000 0.216 12 G HA3 0.054 4.014 3.960 -0.001 0.000 0.216 12 G C -0.048 174.570 174.900 -0.470 0.000 0.994 12 G CA 0.308 45.072 45.100 -0.560 0.000 0.637 12 G HN 1.291 nan 8.290 nan 0.000 0.505 13 A N -0.686 121.653 122.820 -0.802 0.000 2.574 13 A HA 0.758 5.078 4.320 -0.001 0.000 0.297 13 A C -0.755 176.607 177.584 -0.369 0.000 1.062 13 A CA -0.688 51.144 52.037 -0.341 0.000 0.686 13 A CB 0.827 19.759 19.000 -0.114 0.000 1.285 13 A HN 0.763 nan 8.150 nan 0.000 0.403 14 F N 1.014 120.950 119.950 -0.023 0.000 2.429 14 F HA 0.470 4.997 4.527 -0.001 0.000 0.348 14 F C 0.881 176.684 175.800 0.004 0.000 1.109 14 F CA 0.609 58.629 58.000 0.034 0.000 1.232 14 F CB 1.574 40.631 39.000 0.095 0.000 1.157 14 F HN 0.584 nan 8.300 nan 0.000 0.564 15 V N 0.877 120.900 119.914 0.182 0.000 3.159 15 V HA 0.675 4.794 4.120 -0.001 0.000 0.308 15 V C -2.987 173.181 176.094 0.124 0.000 1.190 15 V CA -3.050 59.316 62.300 0.110 0.000 1.037 15 V CB 1.886 33.736 31.823 0.044 0.000 1.060 15 V HN 0.399 nan 8.190 nan 0.000 0.437 16 P HA 0.177 nan 4.420 nan 0.000 0.270 16 P C 0.571 177.917 177.300 0.077 0.000 1.223 16 P CA 0.099 63.246 63.100 0.078 0.000 0.785 16 P CB 0.543 32.274 31.700 0.052 0.000 0.923 17 Q N 1.945 121.793 119.800 0.080 0.000 2.077 17 Q HA -0.291 4.048 4.340 -0.001 0.000 0.206 17 Q C 2.163 178.189 176.000 0.043 0.000 0.989 17 Q CA 2.509 58.356 55.803 0.072 0.000 0.853 17 Q CB -0.492 28.290 28.738 0.073 0.000 0.907 17 Q HN 0.566 nan 8.270 nan 0.000 0.418 18 E N 0.846 121.066 120.200 0.034 0.000 2.267 18 E HA -0.231 4.119 4.350 -0.001 0.000 0.197 18 E C 1.301 177.912 176.600 0.019 0.000 0.998 18 E CA 1.620 58.032 56.400 0.020 0.000 0.830 18 E CB -0.522 29.188 29.700 0.017 0.000 0.751 18 E HN 0.721 nan 8.360 nan 0.000 0.491 19 E N -0.947 119.270 120.200 0.028 0.000 2.472 19 E HA 0.343 4.693 4.350 -0.001 0.000 0.196 19 E C 0.848 177.466 176.600 0.029 0.000 1.033 19 E CA 0.237 56.653 56.400 0.026 0.000 0.886 19 E CB 0.784 30.501 29.700 0.028 0.000 0.944 19 E HN 0.438 nan 8.360 nan 0.000 0.492 20 A N 2.363 125.202 122.820 0.032 0.000 2.990 20 A HA 0.165 4.484 4.320 -0.001 0.000 0.282 20 A C -0.187 177.404 177.584 0.011 0.000 1.688 20 A CA 0.099 52.156 52.037 0.034 0.000 1.391 20 A CB -0.300 18.727 19.000 0.046 0.000 1.112 20 A HN -0.027 nan 8.150 nan 0.000 0.588 21 K N 0.012 120.426 120.400 0.023 0.000 2.444 21 K HA 0.740 5.060 4.320 -0.001 0.000 0.252 21 K C -0.714 175.917 176.600 0.053 0.000 0.993 21 K CA -0.669 55.620 56.287 0.004 0.000 0.847 21 K CB 2.325 34.827 32.500 0.003 0.000 1.340 21 K HN 0.359 nan 8.250 nan 0.000 0.446 22 T N -0.620 113.954 114.554 0.035 0.000 2.896 22 T HA 0.241 4.591 4.350 -0.001 0.000 0.297 22 T C -0.879 173.874 174.700 0.088 0.000 1.108 22 T CA -0.491 61.685 62.100 0.128 0.000 1.004 22 T CB 1.637 70.634 68.868 0.215 0.000 1.159 22 T HN 0.519 nan 8.240 nan 0.000 0.499 23 S N 1.043 116.818 115.700 0.125 0.000 2.558 23 S HA 0.061 4.531 4.470 -0.001 0.000 0.288 23 S C 1.709 176.364 174.600 0.091 0.000 1.318 23 S CA 0.054 58.311 58.200 0.094 0.000 1.056 23 S CB 0.228 63.487 63.200 0.099 0.000 0.853 23 S HN 0.873 nan 8.310 nan 0.000 0.505 24 V N 4.266 124.221 119.914 0.069 0.000 3.444 24 V HA 0.136 4.256 4.120 -0.001 0.000 0.271 24 V C 1.223 177.433 176.094 0.193 0.000 1.188 24 V CA 1.103 63.448 62.300 0.074 0.000 1.168 24 V CB -0.965 30.878 31.823 0.033 0.000 0.810 24 V HN 0.796 nan 8.190 nan 0.000 0.500 25 L N 0.365 121.677 121.223 0.149 0.000 2.628 25 L HA 0.292 4.632 4.340 -0.001 0.000 0.229 25 L C 0.985 177.883 176.870 0.047 0.000 1.137 25 L CA -0.107 54.786 54.840 0.089 0.000 0.909 25 L CB -0.026 42.049 42.059 0.027 0.000 1.137 25 L HN 0.209 nan 8.230 nan 0.000 0.470 26 S N -0.416 115.381 115.700 0.162 0.000 2.537 26 S HA -0.043 4.426 4.470 -0.001 0.000 0.286 26 S C 1.322 176.056 174.600 0.223 0.000 1.299 26 S CA -0.233 58.105 58.200 0.231 0.000 1.067 26 S CB 0.487 63.886 63.200 0.332 0.000 0.864 26 S HN 0.296 nan 8.310 nan 0.000 0.494 27 H N 3.317 122.467 119.070 0.133 0.000 2.321 27 H HA -0.217 4.338 4.556 -0.001 0.000 0.295 27 H C 2.128 177.575 175.328 0.197 0.000 1.102 27 H CA 2.053 58.191 56.048 0.152 0.000 1.266 27 H CB -0.195 29.689 29.762 0.203 0.000 1.363 27 H HN 0.747 nan 8.280 nan 0.000 0.492 28 A N 0.619 123.672 122.820 0.389 0.000 2.019 28 A HA -0.123 4.197 4.320 -0.001 0.000 0.219 28 A C 2.465 180.137 177.584 0.146 0.000 1.164 28 A CA 1.175 53.397 52.037 0.307 0.000 0.644 28 A CB -0.604 18.628 19.000 0.387 0.000 0.805 28 A HN 0.391 nan 8.150 nan 0.000 0.449 29 L N -1.249 120.042 121.223 0.114 0.000 2.395 29 L HA -0.024 4.316 4.340 -0.001 0.000 0.218 29 L C 2.006 178.787 176.870 -0.149 0.000 1.130 29 L CA 1.571 56.403 54.840 -0.013 0.000 0.826 29 L CB -0.417 41.634 42.059 -0.014 0.000 0.941 29 L HN 0.544 nan 8.230 nan 0.000 0.451 30 H N -2.993 115.881 119.070 -0.327 0.000 2.557 30 H HA 0.120 4.676 4.556 -0.001 0.000 0.281 30 H C 0.563 175.541 175.328 -0.584 0.000 0.990 30 H CA 0.926 56.615 56.048 -0.598 0.000 1.278 30 H CB 0.439 29.537 29.762 -1.108 0.000 1.451 30 H HN 0.355 nan 8.280 nan 0.000 0.516 31 Y N -0.328 119.986 120.300 0.023 0.000 2.641 31 Y HA 0.289 4.838 4.550 -0.001 0.000 0.248 31 Y C 1.483 177.421 175.900 0.064 0.000 1.170 31 Y CA 0.003 58.098 58.100 -0.008 0.000 1.201 31 Y CB 1.316 39.687 38.460 -0.149 0.000 1.232 31 Y HN 0.207 nan 8.280 nan 0.000 0.537 32 G N 1.407 110.317 108.800 0.185 0.000 2.168 32 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.257 32 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.257 32 G C 0.404 175.434 174.900 0.216 0.000 0.997 32 G CA 0.778 45.984 45.100 0.178 0.000 0.708 32 G HN 0.415 nan 8.290 nan 0.000 0.520 33 T N -0.673 114.049 114.554 0.279 0.000 4.313 33 T HA 0.587 4.936 4.350 -0.001 0.000 0.272 33 T C 0.500 175.355 174.700 0.258 0.000 1.298 33 T CA 0.489 62.756 62.100 0.279 0.000 1.124 33 T CB 0.265 69.377 68.868 0.407 0.000 1.352 33 T HN 1.495 nan 8.240 nan 0.000 1.013 34 S N 0.386 116.228 115.700 0.237 0.000 2.618 34 S HA 0.853 5.322 4.470 -0.001 0.000 0.277 34 S C -0.579 174.152 174.600 0.219 0.000 1.138 34 S CA -0.684 57.675 58.200 0.265 0.000 0.844 34 S CB 1.877 65.273 63.200 0.327 0.000 1.127 34 S HN 1.063 nan 8.310 nan 0.000 0.474 35 V N -0.668 119.363 119.914 0.195 0.000 2.925 35 V HA 1.005 5.124 4.120 -0.001 0.000 0.311 35 V C -0.916 175.368 176.094 0.318 0.000 1.104 35 V CA -1.046 61.313 62.300 0.098 0.000 0.954 35 V CB 0.841 32.552 31.823 -0.187 0.000 1.022 35 V HN 1.448 nan 8.190 nan 0.000 0.427 36 F N -0.062 120.018 119.950 0.217 0.000 2.715 36 F HA 0.986 5.513 4.527 -0.001 0.000 0.318 36 F C -0.857 175.122 175.800 0.297 0.000 1.141 36 F CA -0.716 57.483 58.000 0.333 0.000 0.950 36 F CB 1.571 40.662 39.000 0.152 0.000 1.374 36 F HN 0.583 nan 8.300 nan 0.000 0.477 37 E N -0.242 120.191 120.200 0.389 0.000 2.433 37 E HA 0.643 4.992 4.350 -0.001 0.000 0.273 37 E C -1.317 175.356 176.600 0.122 0.000 0.950 37 E CA -1.002 55.496 56.400 0.163 0.000 0.796 37 E CB 2.123 31.856 29.700 0.054 0.000 1.330 37 E HN 1.041 nan 8.360 nan 0.000 0.455 38 G N 1.186 109.959 108.800 -0.044 0.000 2.760 38 G HA2 0.642 4.601 3.960 -0.001 0.000 0.285 38 G HA3 0.642 4.601 3.960 -0.001 0.000 0.285 38 G C -0.773 173.732 174.900 -0.659 0.000 1.496 38 G CA -0.340 44.559 45.100 -0.334 0.000 1.026 38 G HN 0.245 nan 8.290 nan 0.000 0.536 39 I N 1.986 121.979 120.570 -0.962 0.000 2.545 39 I HA 0.542 4.711 4.170 -0.001 0.000 0.292 39 I C -0.445 175.271 176.117 -0.669 0.000 1.040 39 I CA -1.143 59.651 61.300 -0.844 0.000 1.068 39 I CB 2.503 40.082 38.000 -0.701 0.000 1.251 39 I HN 0.131 nan 8.210 nan 0.000 0.424 40 R N 3.335 123.627 120.500 -0.348 0.000 2.604 40 R HA 0.835 5.175 4.340 -0.001 0.000 0.287 40 R C -0.836 175.372 176.300 -0.153 0.000 0.970 40 R CA -0.834 55.109 56.100 -0.262 0.000 0.946 40 R CB 2.068 32.287 30.300 -0.135 0.000 1.127 40 R HN 0.786 nan 8.270 nan 0.000 0.473 41 A N 2.842 125.521 122.820 -0.235 0.000 2.355 41 A HA 0.691 5.011 4.320 -0.001 0.000 0.317 41 A C -1.529 175.949 177.584 -0.177 0.000 1.094 41 A CA -0.511 51.466 52.037 -0.100 0.000 0.764 41 A CB 0.918 19.860 19.000 -0.097 0.000 1.230 41 A HN 0.608 nan 8.150 nan 0.000 0.448 42 Y N 0.168 120.453 120.300 -0.024 0.000 2.485 42 Y HA 0.511 5.061 4.550 -0.001 0.000 0.345 42 Y C 0.366 176.267 175.900 0.001 0.000 0.998 42 Y CA -0.623 57.468 58.100 -0.016 0.000 1.059 42 Y CB 1.820 40.253 38.460 -0.045 0.000 1.234 42 Y HN 0.809 nan 8.280 nan 0.000 0.461 43 E N 1.604 121.904 120.200 0.165 0.000 2.316 43 E HA 0.352 4.701 4.350 -0.001 0.000 0.275 43 E C -0.408 176.273 176.600 0.135 0.000 1.029 43 E CA -0.094 56.378 56.400 0.119 0.000 0.871 43 E CB 0.611 30.356 29.700 0.074 0.000 1.022 43 E HN 0.658 nan 8.360 nan 0.000 0.418 44 T N 0.655 115.296 114.554 0.146 0.000 2.888 44 T HA 0.650 5.000 4.350 -0.001 0.000 0.288 44 T C 0.897 175.676 174.700 0.132 0.000 1.063 44 T CA -0.322 61.873 62.100 0.158 0.000 1.010 44 T CB 1.213 70.241 68.868 0.267 0.000 1.214 44 T HN 0.354 nan 8.240 nan 0.000 0.533 45 A N -0.058 122.827 122.820 0.109 0.000 2.125 45 A HA 0.321 4.641 4.320 -0.001 0.000 0.219 45 A C 2.055 179.668 177.584 0.049 0.000 1.156 45 A CA 1.665 53.740 52.037 0.063 0.000 0.671 45 A CB -1.243 17.782 19.000 0.042 0.000 0.794 45 A HN 1.286 nan 8.150 nan 0.000 0.459 46 K N -0.344 120.104 120.400 0.080 0.000 2.593 46 K HA 0.503 4.822 4.320 -0.001 0.000 0.208 46 K C 0.930 177.600 176.600 0.116 0.000 1.051 46 K CA 0.878 57.169 56.287 0.006 0.000 1.111 46 K CB -1.224 31.122 32.500 -0.256 0.000 0.849 46 K HN 2.087 nan 8.250 nan 0.000 0.479 47 G N 0.420 109.305 108.800 0.142 0.000 2.685 47 G HA2 -0.081 3.878 3.960 -0.001 0.000 0.387 47 G HA3 -0.081 3.878 3.960 -0.001 0.000 0.387 47 G C -3.008 172.008 174.900 0.193 0.000 1.324 47 G CA -0.495 44.692 45.100 0.145 0.000 0.878 47 G HN 0.280 nan 8.290 nan 0.000 0.527 48 P HA 0.450 nan 4.420 nan 0.000 0.265 48 P C -0.203 177.149 177.300 0.087 0.000 1.193 48 P CA 1.051 64.216 63.100 0.107 0.000 0.765 48 P CB 1.074 32.821 31.700 0.078 0.000 0.823 49 A N 4.349 127.178 122.820 0.015 0.000 2.353 49 A HA 0.544 4.864 4.320 -0.001 0.000 0.299 49 A C -0.377 177.185 177.584 -0.036 0.000 1.089 49 A CA -0.729 51.210 52.037 -0.162 0.000 0.736 49 A CB 0.444 19.181 19.000 -0.437 0.000 1.195 49 A HN 0.437 nan 8.150 nan 0.000 0.447 50 I N 2.234 122.773 120.570 -0.051 0.000 2.441 50 I HA 0.156 4.325 4.170 -0.001 0.000 0.287 50 I C -0.360 175.796 176.117 0.064 0.000 1.049 50 I CA -0.135 61.163 61.300 -0.004 0.000 1.381 50 I CB 0.761 38.727 38.000 -0.057 0.000 1.409 50 I HN 0.672 nan 8.210 nan 0.000 0.523 51 F N 6.655 126.590 119.950 -0.024 0.000 2.421 51 F HA 0.331 4.857 4.527 -0.001 0.000 0.358 51 F C 0.880 176.691 175.800 0.020 0.000 1.115 51 F CA -0.717 57.281 58.000 -0.003 0.000 1.160 51 F CB -0.001 39.017 39.000 0.031 0.000 1.123 51 F HN 0.433 nan 8.300 nan 0.000 0.508 52 R N 4.797 124.946 120.500 -0.585 0.000 3.188 52 R HA -0.253 4.086 4.340 -0.001 0.000 0.247 52 R C 0.967 177.216 176.300 -0.084 0.000 0.918 52 R CA 0.538 56.374 56.100 -0.440 0.000 0.629 52 R CB -1.763 28.060 30.300 -0.794 0.000 1.087 52 R HN 0.747 nan 8.270 nan 0.000 0.462 53 L N 1.150 122.340 121.223 -0.055 0.000 2.012 53 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 53 L C 2.044 178.918 176.870 0.006 0.000 1.073 53 L CA 1.927 56.756 54.840 -0.019 0.000 0.748 53 L CB -0.215 41.813 42.059 -0.050 0.000 0.891 53 L HN 0.274 nan 8.230 nan 0.000 0.431 54 K N -0.771 119.619 120.400 -0.017 0.000 2.097 54 K HA -0.237 4.083 4.320 -0.001 0.000 0.206 54 K C 2.093 178.686 176.600 -0.010 0.000 1.049 54 K CA 1.557 57.838 56.287 -0.010 0.000 0.933 54 K CB -0.122 32.371 32.500 -0.012 0.000 0.717 54 K HN 0.310 nan 8.250 nan 0.000 0.442 55 E N 0.355 120.524 120.200 -0.051 0.000 2.072 55 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 55 E C 1.818 178.354 176.600 -0.107 0.000 0.985 55 E CA 1.402 57.740 56.400 -0.103 0.000 0.801 55 E CB 0.004 29.585 29.700 -0.198 0.000 0.750 55 E HN 0.333 nan 8.360 nan 0.000 0.452 56 H N -0.757 118.283 119.070 -0.050 0.000 2.357 56 H HA -0.051 4.504 4.556 -0.001 0.000 0.301 56 H C 2.135 177.486 175.328 0.038 0.000 1.082 56 H CA 1.620 57.653 56.048 -0.025 0.000 1.342 56 H CB -0.053 29.664 29.762 -0.075 0.000 1.389 56 H HN 0.107 nan 8.280 nan 0.000 0.511 57 V N 1.349 121.355 119.914 0.153 0.000 2.407 57 V HA -0.229 3.891 4.120 -0.001 0.000 0.248 57 V C 2.597 178.885 176.094 0.323 0.000 1.055 57 V CA 1.818 64.245 62.300 0.211 0.000 1.049 57 V CB -0.417 31.482 31.823 0.126 0.000 0.662 57 V HN 0.344 nan 8.190 nan 0.000 0.455 58 K N 0.442 120.938 120.400 0.161 0.000 2.057 58 K HA -0.239 4.081 4.320 -0.001 0.000 0.207 58 K C 2.372 179.068 176.600 0.160 0.000 1.049 58 K CA 1.822 58.185 56.287 0.127 0.000 0.931 58 K CB -0.171 32.348 32.500 0.032 0.000 0.714 58 K HN 0.312 nan 8.250 nan 0.000 0.440 59 R N -0.484 120.086 120.500 0.117 0.000 2.115 59 R HA -0.126 4.214 4.340 -0.001 0.000 0.230 59 R C 2.185 178.571 176.300 0.144 0.000 1.111 59 R CA 1.239 57.389 56.100 0.082 0.000 0.976 59 R CB -0.323 29.986 30.300 0.016 0.000 0.870 59 R HN 0.238 nan 8.270 nan 0.000 0.445 60 F N 0.205 120.188 119.950 0.055 0.000 2.095 60 F HA -0.239 4.287 4.527 -0.001 0.000 0.298 60 F C 1.390 177.169 175.800 -0.034 0.000 1.104 60 F CA 1.628 59.627 58.000 -0.002 0.000 1.232 60 F CB -0.467 38.531 39.000 -0.003 0.000 0.987 60 F HN 0.012 nan 8.300 nan 0.000 0.475 61 Y N 0.244 120.585 120.300 0.068 0.000 2.293 61 Y HA -0.136 4.414 4.550 -0.001 0.000 0.291 61 Y C 2.344 178.201 175.900 -0.072 0.000 1.137 61 Y CA 1.810 59.887 58.100 -0.038 0.000 1.202 61 Y CB -1.109 37.379 38.460 0.046 0.000 0.990 61 Y HN 0.166 nan 8.280 nan 0.000 0.537 62 N N -0.818 117.943 118.700 0.102 0.000 2.188 62 N HA -0.169 4.571 4.740 -0.001 0.000 0.184 62 N C 1.876 177.363 175.510 -0.038 0.000 1.018 62 N CA 1.198 54.264 53.050 0.026 0.000 0.858 62 N CB -0.129 38.368 38.487 0.017 0.000 0.989 62 N HN 0.147 nan 8.380 nan 0.000 0.426 63 S N 0.604 116.256 115.700 -0.080 0.000 2.368 63 S HA -0.103 4.367 4.470 -0.001 0.000 0.225 63 S C 2.128 176.638 174.600 -0.149 0.000 1.030 63 S CA 1.041 59.170 58.200 -0.119 0.000 0.999 63 S CB -0.259 62.851 63.200 -0.151 0.000 0.844 63 S HN 0.455 nan 8.310 nan 0.000 0.459 64 A N 1.613 124.296 122.820 -0.228 0.000 1.933 64 A HA -0.150 4.169 4.320 -0.001 0.000 0.218 64 A C 2.015 179.531 177.584 -0.114 0.000 1.175 64 A CA 1.796 53.702 52.037 -0.218 0.000 0.628 64 A CB -0.527 18.279 19.000 -0.323 0.000 0.814 64 A HN 0.460 nan 8.150 nan 0.000 0.444 65 K N -0.282 120.074 120.400 -0.073 0.000 2.103 65 K HA -0.120 4.200 4.320 -0.001 0.000 0.207 65 K C 1.766 178.339 176.600 -0.045 0.000 1.048 65 K CA 1.594 57.857 56.287 -0.039 0.000 0.930 65 K CB -0.277 32.215 32.500 -0.013 0.000 0.716 65 K HN 0.269 nan 8.250 nan 0.000 0.444 66 V N 1.401 121.282 119.914 -0.054 0.000 2.392 66 V HA -0.225 3.895 4.120 -0.001 0.000 0.249 66 V C 1.965 178.029 176.094 -0.050 0.000 1.059 66 V CA 1.503 63.772 62.300 -0.052 0.000 1.051 66 V CB -0.288 31.498 31.823 -0.061 0.000 0.658 66 V HN 0.340 nan 8.190 nan 0.000 0.455 67 L N -0.789 120.401 121.223 -0.054 0.000 2.611 67 L HA 0.239 4.578 4.340 -0.001 0.000 0.229 67 L C 1.079 177.920 176.870 -0.048 0.000 1.137 67 L CA 0.081 54.894 54.840 -0.044 0.000 0.901 67 L CB -0.225 41.813 42.059 -0.036 0.000 1.098 67 L HN 0.300 nan 8.230 nan 0.000 0.456 68 R N -0.018 120.452 120.500 -0.050 0.000 3.641 68 R HA -0.193 4.147 4.340 -0.001 0.000 0.286 68 R C 0.286 176.551 176.300 -0.058 0.000 1.153 68 R CA 0.574 56.645 56.100 -0.047 0.000 0.775 68 R CB -1.673 28.601 30.300 -0.043 0.000 1.215 68 R HN 0.373 nan 8.270 nan 0.000 0.474 69 M N 1.434 120.992 119.600 -0.069 0.000 2.180 69 M HA 0.137 4.616 4.480 -0.001 0.000 0.358 69 M C -0.121 176.131 176.300 -0.081 0.000 1.233 69 M CA 0.015 55.265 55.300 -0.084 0.000 1.114 69 M CB 0.858 33.397 32.600 -0.102 0.000 1.594 69 M HN -0.082 nan 8.290 nan 0.000 0.467 70 E N 6.300 126.456 120.200 -0.074 0.000 2.115 70 E HA 0.348 4.698 4.350 -0.001 0.000 0.282 70 E C -0.853 175.715 176.600 -0.054 0.000 0.987 70 E CA -0.177 56.192 56.400 -0.051 0.000 0.797 70 E CB 1.156 30.826 29.700 -0.050 0.000 1.086 70 E HN 0.720 nan 8.360 nan 0.000 0.397 71 I N 5.724 126.282 120.570 -0.020 0.000 2.297 71 I HA 0.118 4.288 4.170 -0.001 0.000 0.291 71 I C -1.436 174.739 176.117 0.097 0.000 1.033 71 I CA -1.766 59.552 61.300 0.029 0.000 1.253 71 I CB 1.187 39.135 38.000 -0.086 0.000 1.396 71 I HN 0.126 nan 8.210 nan 0.000 0.476 72 P HA 0.106 nan 4.420 nan 0.000 0.269 72 P C -0.781 176.143 177.300 -0.628 0.000 1.601 72 P CA 0.461 63.380 63.100 -0.302 0.000 0.831 72 P CB -0.468 30.971 31.700 -0.435 0.000 1.688 73 F N -0.228 119.833 119.950 0.185 0.000 2.619 73 F HA 0.543 5.070 4.527 -0.001 0.000 0.308 73 F C 0.245 176.201 175.800 0.261 0.000 1.097 73 F CA -1.322 56.812 58.000 0.223 0.000 0.953 73 F CB 1.276 40.450 39.000 0.291 0.000 1.287 73 F HN -0.164 nan 8.300 nan 0.000 0.446 74 A N 2.764 125.783 122.820 0.331 0.000 2.351 74 A HA 0.513 4.832 4.320 -0.001 0.000 0.257 74 A C -1.938 175.736 177.584 0.151 0.000 1.087 74 A CA -1.258 50.879 52.037 0.167 0.000 0.798 74 A CB 0.223 19.273 19.000 0.085 0.000 1.033 74 A HN 0.606 nan 8.150 nan 0.000 0.488 75 P HA -0.135 nan 4.420 nan 0.000 0.216 75 P C 1.769 179.059 177.300 -0.017 0.000 1.150 75 P CA 2.386 65.395 63.100 -0.151 0.000 0.843 75 P CB 0.154 31.615 31.700 -0.399 0.000 0.787 76 E N 0.540 120.727 120.200 -0.021 0.000 2.110 76 E HA -0.270 4.079 4.350 -0.001 0.000 0.193 76 E C 1.831 178.429 176.600 -0.003 0.000 0.988 76 E CA 1.636 58.030 56.400 -0.011 0.000 0.804 76 E CB -1.511 28.189 29.700 -0.000 0.000 0.745 76 E HN 0.488 nan 8.360 nan 0.000 0.458 77 E N -0.559 119.667 120.200 0.042 0.000 2.072 77 E HA -0.072 4.278 4.350 -0.001 0.000 0.191 77 E C 2.213 178.719 176.600 -0.157 0.000 0.985 77 E CA 1.061 57.481 56.400 0.034 0.000 0.801 77 E CB -0.112 29.711 29.700 0.206 0.000 0.750 77 E HN 0.395 nan 8.360 nan 0.000 0.452 78 L N 1.564 122.700 121.223 -0.146 0.000 2.109 78 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 78 L C 1.854 178.529 176.870 -0.325 0.000 1.086 78 L CA 1.671 56.295 54.840 -0.360 0.000 0.760 78 L CB -0.073 41.916 42.059 -0.117 0.000 0.910 78 L HN 0.022 nan 8.230 nan 0.000 0.437 79 E N -0.946 119.154 120.200 -0.166 0.000 2.106 79 E HA -0.250 4.100 4.350 -0.001 0.000 0.192 79 E C 1.925 178.439 176.600 -0.144 0.000 0.984 79 E CA 1.018 57.336 56.400 -0.137 0.000 0.806 79 E CB -0.013 29.644 29.700 -0.072 0.000 0.750 79 E HN 0.411 nan 8.360 nan 0.000 0.458 80 E N 1.232 121.350 120.200 -0.136 0.000 2.072 80 E HA -0.106 4.244 4.350 -0.001 0.000 0.191 80 E C 1.859 178.371 176.600 -0.147 0.000 0.985 80 E CA 1.322 57.664 56.400 -0.096 0.000 0.801 80 E CB -0.213 29.460 29.700 -0.044 0.000 0.750 80 E HN 0.207 nan 8.360 nan 0.000 0.452 81 A N 0.466 123.072 122.820 -0.357 0.000 1.933 81 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 81 A C 2.351 179.739 177.584 -0.326 0.000 1.175 81 A CA 1.375 53.061 52.037 -0.586 0.000 0.628 81 A CB -0.633 17.343 19.000 -1.706 0.000 0.814 81 A HN 0.355 nan 8.150 nan 0.000 0.444 82 I N -0.631 119.748 120.570 -0.318 0.000 2.252 82 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 82 I C 2.432 178.491 176.117 -0.097 0.000 1.102 82 I CA 1.462 62.635 61.300 -0.211 0.000 1.385 82 I CB -0.238 37.618 38.000 -0.239 0.000 1.064 82 I HN 0.294 nan 8.210 nan 0.000 0.414 83 K N 0.712 121.064 120.400 -0.079 0.000 2.026 83 K HA -0.193 4.127 4.320 -0.001 0.000 0.208 83 K C 1.983 178.581 176.600 -0.003 0.000 1.048 83 K CA 1.465 57.732 56.287 -0.034 0.000 0.929 83 K CB -0.173 32.312 32.500 -0.024 0.000 0.713 83 K HN 0.332 nan 8.250 nan 0.000 0.439 84 E N 0.550 120.767 120.200 0.029 0.000 2.153 84 E HA -0.164 4.186 4.350 -0.001 0.000 0.194 84 E C 2.001 178.603 176.600 0.004 0.000 0.988 84 E CA 0.842 57.263 56.400 0.034 0.000 0.811 84 E CB -0.031 29.769 29.700 0.166 0.000 0.746 84 E HN 0.061 nan 8.360 nan 0.000 0.466 85 V N 0.521 120.562 119.914 0.212 0.000 2.490 85 V HA -0.193 3.927 4.120 -0.001 0.000 0.250 85 V C 2.024 178.172 176.094 0.090 0.000 1.061 85 V CA 1.242 63.692 62.300 0.249 0.000 1.064 85 V CB 0.078 32.085 31.823 0.308 0.000 0.670 85 V HN 0.092 nan 8.190 nan 0.000 0.461 86 V N 0.173 120.128 119.914 0.068 0.000 2.323 86 V HA -0.171 3.948 4.120 -0.001 0.000 0.244 86 V C 2.579 178.663 176.094 -0.017 0.000 1.041 86 V CA 2.298 64.656 62.300 0.097 0.000 1.025 86 V CB -0.743 31.119 31.823 0.065 0.000 0.656 86 V HN 0.487 nan 8.190 nan 0.000 0.451 87 R N 0.098 120.566 120.500 -0.054 0.000 2.070 87 R HA -0.085 4.254 4.340 -0.001 0.000 0.232 87 R C 2.504 178.704 176.300 -0.167 0.000 1.138 87 R CA 1.480 57.527 56.100 -0.089 0.000 0.936 87 R CB -0.436 29.820 30.300 -0.075 0.000 0.839 87 R HN 0.417 nan 8.270 nan 0.000 0.429 88 R N 0.517 120.867 120.500 -0.250 0.000 2.159 88 R HA -0.066 4.273 4.340 -0.001 0.000 0.237 88 R C 1.227 177.348 176.300 -0.299 0.000 1.131 88 R CA 0.958 56.867 56.100 -0.319 0.000 0.982 88 R CB -0.240 29.719 30.300 -0.568 0.000 0.868 88 R HN 0.337 nan 8.270 nan 0.000 0.453 89 N N -0.373 118.106 118.700 -0.370 0.000 2.280 89 N HA 0.021 4.761 4.740 -0.001 0.000 0.192 89 N C 0.747 175.923 175.510 -0.557 0.000 1.109 89 N CA 0.780 53.494 53.050 -0.559 0.000 0.855 89 N CB 1.216 39.097 38.487 -1.011 0.000 0.974 89 N HN 0.335 nan 8.380 nan 0.000 0.482 90 G N 1.096 109.706 108.800 -0.316 0.000 2.203 90 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.263 90 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.263 90 G C -0.122 174.741 174.900 -0.062 0.000 1.012 90 G CA 0.102 45.106 45.100 -0.158 0.000 0.749 90 G HN 0.450 nan 8.290 nan 0.000 0.512 91 Y N -0.576 119.721 120.300 -0.006 0.000 2.457 91 Y HA 0.380 4.929 4.550 -0.001 0.000 0.341 91 Y C 1.856 177.751 175.900 -0.008 0.000 1.240 91 Y CA -0.379 57.719 58.100 -0.002 0.000 1.437 91 Y CB 0.561 39.017 38.460 -0.007 0.000 1.328 91 Y HN 0.126 nan 8.280 nan 0.000 0.588 92 R N 0.180 120.790 120.500 0.183 0.000 1.836 92 R HA 0.225 4.565 4.340 -0.001 0.000 0.128 92 R C -0.236 176.084 176.300 0.034 0.000 2.038 92 R CA -0.419 55.732 56.100 0.086 0.000 1.737 92 R CB -0.280 30.052 30.300 0.054 0.000 1.399 92 R HN 0.415 nan 8.270 nan 0.000 0.485 93 S N 1.221 116.913 115.700 -0.014 0.000 2.505 93 S HA 0.245 4.714 4.470 -0.001 0.000 0.276 93 S C 0.005 174.531 174.600 -0.123 0.000 1.274 93 S CA -0.503 57.639 58.200 -0.096 0.000 1.053 93 S CB 0.151 63.291 63.200 -0.101 0.000 0.919 93 S HN 0.509 nan 8.310 nan 0.000 0.490 94 C N 2.905 122.092 119.300 -0.189 0.000 3.321 94 C HA 0.724 5.183 4.460 -0.001 0.000 0.329 94 C C -1.382 173.428 174.990 -0.300 0.000 1.394 94 C CA -1.277 57.583 59.018 -0.262 0.000 1.291 94 C CB 0.354 27.812 27.740 -0.470 0.000 1.606 94 C HN 0.765 nan 8.230 nan 0.000 0.463 95 Y N 0.906 120.823 120.300 -0.637 0.000 2.352 95 Y HA 0.820 5.370 4.550 -0.001 0.000 0.339 95 Y C -0.488 174.825 175.900 -0.979 0.000 0.992 95 Y CA -1.021 56.566 58.100 -0.855 0.000 1.100 95 Y CB 0.985 38.742 38.460 -1.171 0.000 1.192 95 Y HN 0.732 nan 8.280 nan 0.000 0.458 96 I N 6.610 126.497 120.570 -1.138 0.000 2.378 96 I HA 0.415 4.585 4.170 -0.001 0.000 0.291 96 I C -0.697 174.895 176.117 -0.876 0.000 0.992 96 I CA -0.942 59.864 61.300 -0.824 0.000 1.154 96 I CB 1.616 39.294 38.000 -0.536 0.000 1.315 96 I HN 0.445 nan 8.210 nan 0.000 0.448 97 R N 8.306 128.476 120.500 -0.549 0.000 2.396 97 R HA 0.499 4.839 4.340 -0.001 0.000 0.292 97 R C -2.880 173.356 176.300 -0.107 0.000 1.240 97 R CA -2.188 53.760 56.100 -0.254 0.000 1.270 97 R CB 0.567 30.867 30.300 -0.000 0.000 1.108 97 R HN 0.179 nan 8.270 nan 0.000 0.573 98 P HA 0.242 nan 4.420 nan 0.000 0.279 98 P C -1.384 175.962 177.300 0.076 0.000 1.239 98 P CA -0.528 62.430 63.100 -0.236 0.000 0.789 98 P CB 1.122 32.398 31.700 -0.706 0.000 0.933 99 L N 2.307 123.700 121.223 0.283 0.000 2.455 99 L HA 0.790 5.130 4.340 -0.001 0.000 0.264 99 L C -1.574 175.736 176.870 0.735 0.000 0.968 99 L CA -0.638 54.536 54.840 0.557 0.000 0.827 99 L CB 1.823 44.105 42.059 0.373 0.000 1.317 99 L HN 0.420 nan 8.230 nan 0.000 0.407 100 A N 3.974 127.190 122.820 0.660 0.000 2.343 100 A HA 0.851 5.171 4.320 -0.001 0.000 0.308 100 A C -1.758 176.075 177.584 0.415 0.000 1.092 100 A CA -0.339 51.941 52.037 0.405 0.000 0.751 100 A CB 0.655 19.684 19.000 0.048 0.000 1.203 100 A HN 0.936 nan 8.150 nan 0.000 0.452 101 W N 1.923 123.287 121.300 0.107 0.000 3.033 101 W HA 0.736 5.396 4.660 -0.001 0.000 0.336 101 W C -1.064 175.505 176.519 0.082 0.000 1.173 101 W CA -1.292 56.111 57.345 0.097 0.000 1.185 101 W CB 1.038 30.564 29.460 0.110 0.000 1.425 101 W HN 0.350 nan 8.180 nan 0.000 0.536 102 M N 3.669 123.386 119.600 0.195 0.000 2.188 102 M HA 0.280 4.759 4.480 -0.001 0.000 0.354 102 M C 0.741 177.137 176.300 0.160 0.000 1.342 102 M CA -0.149 55.192 55.300 0.068 0.000 1.117 102 M CB 0.024 32.667 32.600 0.070 0.000 1.670 102 M HN 0.871 nan 8.290 nan 0.000 0.466 103 G N 2.388 111.185 108.800 -0.005 0.000 2.486 103 G HA2 0.410 4.370 3.960 -0.001 0.000 0.272 103 G HA3 0.410 4.370 3.960 -0.001 0.000 0.272 103 G C 0.208 175.196 174.900 0.145 0.000 1.426 103 G CA -0.031 45.116 45.100 0.078 0.000 1.058 103 G HN 0.825 nan 8.290 nan 0.000 0.531 104 A N -1.104 121.785 122.820 0.114 0.000 2.640 104 A HA 0.329 4.649 4.320 -0.001 0.000 0.282 104 A C 1.719 179.336 177.584 0.055 0.000 1.357 104 A CA -0.042 52.050 52.037 0.092 0.000 0.946 104 A CB -0.139 18.914 19.000 0.088 0.000 1.065 104 A HN 0.571 nan 8.150 nan 0.000 0.541 105 K N 0.009 120.434 120.400 0.042 0.000 2.097 105 K HA 0.185 4.504 4.320 -0.001 0.000 0.205 105 K C 0.734 177.353 176.600 0.032 0.000 1.050 105 K CA 1.248 57.548 56.287 0.022 0.000 0.938 105 K CB -0.006 32.493 32.500 -0.001 0.000 0.718 105 K HN 0.566 nan 8.250 nan 0.000 0.442 106 A N -0.049 122.808 122.820 0.061 0.000 2.610 106 A HA 0.506 4.826 4.320 -0.001 0.000 0.291 106 A C -0.928 176.751 177.584 0.157 0.000 1.086 106 A CA -0.692 51.391 52.037 0.076 0.000 0.677 106 A CB 0.924 19.959 19.000 0.058 0.000 1.278 106 A HN 0.097 nan 8.150 nan 0.000 0.414 107 L N 1.430 122.734 121.223 0.136 0.000 3.202 107 L HA 0.332 4.672 4.340 -0.001 0.000 0.278 107 L C 1.087 178.106 176.870 0.250 0.000 1.268 107 L CA -0.081 54.880 54.840 0.201 0.000 1.034 107 L CB 0.509 42.557 42.059 -0.019 0.000 1.407 107 L HN 0.898 nan 8.230 nan 0.000 0.581 108 G N -0.535 108.375 108.800 0.184 0.000 2.503 108 G HA2 0.222 4.181 3.960 -0.001 0.000 0.257 108 G HA3 0.222 4.181 3.960 -0.001 0.000 0.257 108 G C 0.930 175.849 174.900 0.033 0.000 1.214 108 G CA -0.306 44.840 45.100 0.077 0.000 0.839 108 G HN -0.066 nan 8.290 nan 0.000 0.559 109 V N 1.507 121.306 119.914 -0.191 0.000 2.469 109 V HA -0.109 4.011 4.120 -0.001 0.000 0.251 109 V C 1.400 177.462 176.094 -0.055 0.000 1.064 109 V CA 1.522 63.577 62.300 -0.408 0.000 1.066 109 V CB -0.553 31.053 31.823 -0.362 0.000 0.667 109 V HN 0.693 nan 8.190 nan 0.000 0.461 110 N N 0.894 119.583 118.700 -0.018 0.000 2.452 110 N HA 0.065 4.804 4.740 -0.001 0.000 0.266 110 N C -1.424 174.041 175.510 -0.075 0.000 1.209 110 N CA -1.352 51.681 53.050 -0.029 0.000 0.929 110 N CB 1.467 39.932 38.487 -0.037 0.000 1.063 110 N HN 0.286 nan 8.380 nan 0.000 0.472 111 P HA -0.009 nan 4.420 nan 0.000 0.235 111 P C 1.599 178.744 177.300 -0.258 0.000 1.177 111 P CA 0.399 63.229 63.100 -0.451 0.000 0.785 111 P CB 0.526 32.023 31.700 -0.337 0.000 0.885 112 L N 0.432 121.568 121.223 -0.146 0.000 2.021 112 L HA -0.138 4.202 4.340 -0.001 0.000 0.215 112 L C -0.308 176.504 176.870 -0.096 0.000 1.074 112 L CA 2.204 56.982 54.840 -0.103 0.000 0.760 112 L CB -2.537 39.480 42.059 -0.070 0.000 0.889 112 L HN 0.061 nan 8.230 nan 0.000 0.433 113 P HA -0.099 nan 4.420 nan 0.000 0.228 113 P C 0.544 177.801 177.300 -0.072 0.000 1.151 113 P CA 1.094 64.156 63.100 -0.064 0.000 0.770 113 P CB -0.083 31.591 31.700 -0.042 0.000 0.786 114 N N -1.863 116.769 118.700 -0.112 0.000 2.353 114 N HA -0.005 4.735 4.740 -0.001 0.000 0.185 114 N C 0.433 175.881 175.510 -0.103 0.000 1.098 114 N CA 0.142 53.129 53.050 -0.106 0.000 0.872 114 N CB -0.447 37.946 38.487 -0.156 0.000 0.970 114 N HN 0.076 nan 8.380 nan 0.000 0.467 115 N N 1.901 120.540 118.700 -0.102 0.000 2.416 115 N HA 0.085 4.824 4.740 -0.001 0.000 0.246 115 N C -2.269 173.188 175.510 -0.089 0.000 1.260 115 N CA -0.494 52.498 53.050 -0.097 0.000 0.897 115 N CB 0.370 38.806 38.487 -0.084 0.000 1.110 115 N HN 0.155 nan 8.380 nan 0.000 0.439 116 P HA 0.219 nan 4.420 nan 0.000 0.278 116 P C -1.007 176.212 177.300 -0.136 0.000 1.258 116 P CA -0.497 62.539 63.100 -0.108 0.000 0.811 116 P CB 0.683 32.316 31.700 -0.113 0.000 1.063 117 A N 1.467 124.203 122.820 -0.140 0.000 2.366 117 A HA 0.187 4.507 4.320 -0.001 0.000 0.249 117 A C 0.339 177.753 177.584 -0.283 0.000 1.084 117 A CA -0.282 51.631 52.037 -0.207 0.000 0.794 117 A CB -0.288 18.616 19.000 -0.159 0.000 1.034 117 A HN 0.567 nan 8.150 nan 0.000 0.491 118 E N -0.380 119.453 120.200 -0.611 0.000 2.283 118 E HA 0.526 4.875 4.350 -0.001 0.000 0.271 118 E C -1.025 175.098 176.600 -0.794 0.000 1.031 118 E CA -0.544 55.374 56.400 -0.804 0.000 0.868 118 E CB 1.601 30.515 29.700 -1.310 0.000 1.094 118 E HN 0.374 nan 8.360 nan 0.000 0.401 119 V N 2.255 121.978 119.914 -0.318 0.000 2.876 119 V HA 0.552 4.671 4.120 -0.001 0.000 0.312 119 V C -0.560 175.697 176.094 0.271 0.000 1.085 119 V CA -0.965 61.398 62.300 0.106 0.000 0.945 119 V CB 1.546 33.553 31.823 0.306 0.000 1.017 119 V HN 0.762 nan 8.190 nan 0.000 0.428 120 M N 3.189 123.093 119.600 0.507 0.000 2.578 120 M HA 0.920 5.399 4.480 -0.001 0.000 0.276 120 M C -2.052 174.447 176.300 0.331 0.000 1.245 120 M CA -0.564 55.001 55.300 0.442 0.000 0.871 120 M CB 2.274 35.125 32.600 0.418 0.000 1.722 120 M HN 0.188 nan 8.290 nan 0.000 0.473 121 V N 1.903 121.981 119.914 0.272 0.000 2.482 121 V HA 0.981 5.101 4.120 -0.001 0.000 0.295 121 V C -0.566 175.599 176.094 0.118 0.000 1.026 121 V CA -0.213 62.130 62.300 0.070 0.000 0.856 121 V CB 1.099 32.846 31.823 -0.127 0.000 1.001 121 V HN 1.205 nan 8.190 nan 0.000 0.424 122 A N 3.773 126.652 122.820 0.098 0.000 2.423 122 A HA 1.077 5.397 4.320 -0.001 0.000 0.304 122 A C -0.406 177.215 177.584 0.061 0.000 1.104 122 A CA -0.201 51.947 52.037 0.184 0.000 0.757 122 A CB 2.092 21.262 19.000 0.284 0.000 1.313 122 A HN 1.660 nan 8.150 nan 0.000 0.423 123 A N -0.146 122.775 122.820 0.169 0.000 2.594 123 A HA 0.862 5.182 4.320 -0.001 0.000 0.295 123 A C -1.456 176.213 177.584 0.142 0.000 1.071 123 A CA -0.335 51.641 52.037 -0.102 0.000 0.685 123 A CB 0.812 19.801 19.000 -0.019 0.000 1.285 123 A HN 2.024 nan 8.150 nan 0.000 0.405 124 W N 0.179 121.355 121.300 -0.207 0.000 3.118 124 W HA 0.733 5.392 4.660 -0.001 0.000 0.328 124 W C -0.524 175.672 176.519 -0.537 0.000 1.239 124 W CA -0.717 56.422 57.345 -0.344 0.000 1.176 124 W CB 0.569 30.014 29.460 -0.025 0.000 1.433 124 W HN 0.880 nan 8.180 nan 0.000 0.562 125 E N 2.186 122.219 120.200 -0.278 0.000 2.452 125 E HA 0.043 4.393 4.350 -0.001 0.000 0.261 125 E C -0.974 175.749 176.600 0.204 0.000 0.987 125 E CA 0.184 56.500 56.400 -0.139 0.000 0.926 125 E CB 0.674 30.384 29.700 0.017 0.000 0.934 125 E HN 0.540 nan 8.360 nan 0.000 0.452 126 W N 3.370 124.602 121.300 -0.113 0.000 3.479 126 W HA 0.361 5.021 4.660 -0.001 0.000 0.304 126 W C -0.480 175.982 176.519 -0.095 0.000 1.243 126 W CA 0.051 57.368 57.345 -0.045 0.000 1.202 126 W CB 1.393 30.829 29.460 -0.040 0.000 1.346 126 W HN 0.806 nan 8.180 nan 0.000 0.539 127 G N 2.527 111.055 108.800 -0.455 0.000 2.272 127 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.280 127 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.280 127 G C 0.743 175.556 174.900 -0.144 0.000 1.067 127 G CA 0.414 45.361 45.100 -0.255 0.000 0.902 127 G HN 1.366 nan 8.290 nan 0.000 0.500 128 A N -1.359 121.357 122.820 -0.174 0.000 2.125 128 A HA 0.372 4.691 4.320 -0.001 0.000 0.219 128 A C 0.741 178.008 177.584 -0.528 0.000 1.156 128 A CA 1.325 53.188 52.037 -0.290 0.000 0.671 128 A CB -0.025 18.811 19.000 -0.274 0.000 0.794 128 A HN 0.928 nan 8.150 nan 0.000 0.459 129 Y N -2.644 117.623 120.300 -0.056 0.000 2.492 129 Y HA 0.629 5.179 4.550 -0.001 0.000 0.346 129 Y C -0.308 175.583 175.900 -0.016 0.000 0.997 129 Y CA -1.115 56.967 58.100 -0.030 0.000 1.025 129 Y CB 1.736 40.171 38.460 -0.041 0.000 1.263 129 Y HN 0.110 nan 8.280 nan 0.000 0.454 136 R N 1.535 122.040 120.500 0.007 0.000 2.120 136 R HA -0.117 4.223 4.340 -0.001 0.000 0.234 136 R C 2.288 178.595 176.300 0.012 0.000 1.123 136 R CA 1.918 58.022 56.100 0.008 0.000 0.975 136 R CB -0.360 29.945 30.300 0.007 0.000 0.866 136 R HN 0.605 nan 8.270 nan 0.000 0.446 137 K N 1.314 121.721 120.400 0.011 0.000 2.155 137 K HA 0.061 4.381 4.320 -0.001 0.000 0.203 137 K C 0.935 177.544 176.600 0.015 0.000 1.052 137 K CA 1.180 57.475 56.287 0.013 0.000 0.948 137 K CB -0.814 31.692 32.500 0.011 0.000 0.728 137 K HN 0.528 nan 8.250 nan 0.000 0.448 138 G N -1.563 107.247 108.800 0.016 0.000 2.719 138 G HA2 0.421 4.381 3.960 -0.001 0.000 0.686 138 G HA3 0.421 4.381 3.960 -0.001 0.000 0.686 138 G C 0.032 174.940 174.900 0.013 0.000 1.201 138 G CA -0.035 45.078 45.100 0.021 0.000 0.768 138 G HN 1.385 nan 8.290 nan 0.000 0.629 139 A N 1.855 124.687 122.820 0.019 0.000 2.351 139 A HA 0.812 5.131 4.320 -0.001 0.000 0.257 139 A C 0.821 178.391 177.584 -0.023 0.000 1.087 139 A CA 0.024 52.065 52.037 0.005 0.000 0.798 139 A CB 0.550 19.564 19.000 0.024 0.000 1.033 139 A HN 0.883 nan 8.150 nan 0.000 0.488 140 R N 0.983 121.447 120.500 -0.060 0.000 2.387 140 R HA 0.574 4.913 4.340 -0.001 0.000 0.314 140 R C -1.112 175.103 176.300 -0.141 0.000 0.958 140 R CA -0.300 55.720 56.100 -0.133 0.000 0.846 140 R CB 1.215 31.390 30.300 -0.209 0.000 1.147 140 R HN 0.646 nan 8.270 nan 0.000 0.447 141 L N 3.820 124.959 121.223 -0.141 0.000 2.322 141 L HA 0.670 5.009 4.340 -0.001 0.000 0.269 141 L C -0.189 176.585 176.870 -0.160 0.000 1.012 141 L CA -1.075 53.701 54.840 -0.106 0.000 0.815 141 L CB 1.659 43.694 42.059 -0.040 0.000 1.295 141 L HN 0.486 nan 8.230 nan 0.000 0.438 142 I N 0.096 120.607 120.570 -0.098 0.000 2.569 142 I HA 0.194 4.363 4.170 -0.001 0.000 0.290 142 I C -0.382 175.733 176.117 -0.003 0.000 1.088 142 I CA -0.430 60.824 61.300 -0.077 0.000 1.047 142 I CB 2.586 40.543 38.000 -0.072 0.000 1.237 142 I HN 0.530 nan 8.210 nan 0.000 0.421 143 T N 3.844 118.413 114.554 0.025 0.000 2.853 143 T HA 0.052 4.402 4.350 -0.001 0.000 0.298 143 T C 0.314 175.039 174.700 0.041 0.000 0.978 143 T CA 0.200 62.318 62.100 0.030 0.000 1.152 143 T CB 0.772 69.661 68.868 0.035 0.000 0.914 143 T HN 0.582 nan 8.240 nan 0.000 0.539 144 S N 1.832 117.560 115.700 0.047 0.000 2.593 144 S HA 0.165 4.635 4.470 -0.001 0.000 0.269 144 S C 1.508 176.136 174.600 0.046 0.000 1.334 144 S CA -0.390 57.861 58.200 0.085 0.000 1.015 144 S CB 0.446 63.727 63.200 0.135 0.000 0.912 144 S HN 0.800 nan 8.310 nan 0.000 0.541 145 S N 2.141 117.855 115.700 0.023 0.000 2.575 145 S HA 0.177 4.647 4.470 -0.001 0.000 0.215 145 S C -0.330 174.100 174.600 -0.284 0.000 0.966 145 S CA -0.595 57.520 58.200 -0.142 0.000 0.911 145 S CB -0.254 62.818 63.200 -0.215 0.000 0.780 145 S HN 0.655 nan 8.310 nan 0.000 0.514 146 W N 1.834 123.120 121.300 -0.023 0.000 2.391 146 W HA 0.739 5.399 4.660 -0.000 0.000 0.311 146 W C 0.167 176.648 176.519 -0.063 0.000 1.087 146 W CA -0.830 56.494 57.345 -0.035 0.000 1.209 146 W CB 1.132 30.571 29.460 -0.035 0.000 1.273 146 W HN 0.171 nan 8.180 nan 0.000 0.482 147 A N 3.593 126.487 122.820 0.123 0.000 2.327 147 A HA 0.646 4.966 4.320 -0.001 0.000 0.283 147 A C -0.027 177.537 177.584 -0.034 0.000 1.127 147 A CA -0.749 51.306 52.037 0.031 0.000 0.810 147 A CB 0.488 19.497 19.000 0.014 0.000 1.066 147 A HN 0.621 nan 8.150 nan 0.000 0.492 148 R N 1.244 121.662 120.500 -0.136 0.000 2.537 148 R HA 0.307 4.647 4.340 -0.001 0.000 0.280 148 R C -0.578 175.560 176.300 -0.270 0.000 1.058 148 R CA -0.339 55.531 56.100 -0.384 0.000 1.057 148 R CB -0.491 29.623 30.300 -0.311 0.000 0.973 148 R HN 0.552 nan 8.270 nan 0.000 0.438 149 F N 3.638 123.604 119.950 0.028 0.000 2.608 149 F HA 0.309 4.836 4.527 -0.001 0.000 0.380 149 F C -1.880 173.932 175.800 0.020 0.000 1.083 149 F CA -2.950 55.066 58.000 0.027 0.000 1.266 149 F CB -0.822 38.185 39.000 0.012 0.000 1.076 149 F HN 0.433 nan 8.300 nan 0.000 0.574 150 P HA 0.107 nan 4.420 nan 0.000 0.269 150 P C 0.306 177.695 177.300 0.149 0.000 1.217 150 P CA 0.243 63.434 63.100 0.152 0.000 0.783 150 P CB 0.741 32.502 31.700 0.103 0.000 0.898 151 A N 2.305 125.184 122.820 0.098 0.000 2.248 151 A HA -0.125 4.195 4.320 -0.001 0.000 0.210 151 A C 1.093 178.689 177.584 0.021 0.000 1.174 151 A CA 1.155 53.227 52.037 0.058 0.000 0.750 151 A CB -1.084 17.942 19.000 0.043 0.000 0.780 151 A HN 0.682 nan 8.150 nan 0.000 0.478 152 N N -1.096 117.621 118.700 0.029 0.000 2.235 152 N HA 0.144 4.884 4.740 -0.001 0.000 0.231 152 N C 0.393 175.909 175.510 0.010 0.000 1.177 152 N CA 0.529 53.585 53.050 0.011 0.000 0.874 152 N CB 0.246 38.742 38.487 0.015 0.000 1.097 152 N HN 0.124 nan 8.380 nan 0.000 0.518 153 V N -0.531 119.393 119.914 0.016 0.000 2.948 153 V HA 0.393 4.513 4.120 -0.001 0.000 0.234 153 V C 0.316 176.377 176.094 -0.055 0.000 1.205 153 V CA 0.753 63.064 62.300 0.019 0.000 1.234 153 V CB 0.179 32.055 31.823 0.089 0.000 1.020 153 V HN 0.173 nan 8.190 nan 0.000 0.491 154 M N 1.436 120.941 119.600 -0.159 0.000 2.446 154 M HA 0.437 4.917 4.480 -0.001 0.000 0.294 154 M C -3.032 173.001 176.300 -0.445 0.000 1.158 154 M CA -2.017 53.029 55.300 -0.422 0.000 0.899 154 M CB 1.992 34.031 32.600 -0.936 0.000 1.687 154 M HN -0.046 nan 8.290 nan 0.000 0.455 155 P HA 0.163 nan 4.420 nan 0.000 0.260 155 P C 0.811 177.963 177.300 -0.246 0.000 1.651 155 P CA 0.097 63.061 63.100 -0.225 0.000 1.139 155 P CB -0.268 31.343 31.700 -0.148 0.000 1.756 156 G N 3.697 112.397 108.800 -0.167 0.000 2.535 156 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.218 156 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.218 156 G C 1.316 176.242 174.900 0.043 0.000 1.122 156 G CA 0.269 45.404 45.100 0.058 0.000 0.769 156 G HN 0.305 nan 8.290 nan 0.000 0.549 157 K N 0.302 120.691 120.400 -0.018 0.000 2.426 157 K HA 0.310 4.630 4.320 -0.001 0.000 0.193 157 K C 0.944 177.518 176.600 -0.043 0.000 1.028 157 K CA 0.309 56.575 56.287 -0.036 0.000 1.047 157 K CB 0.459 32.923 32.500 -0.059 0.000 0.821 157 K HN 0.303 nan 8.250 nan 0.000 0.513 158 A N 1.154 123.943 122.820 -0.051 0.000 2.330 158 A HA 0.464 4.783 4.320 -0.001 0.000 0.329 158 A C -0.600 176.960 177.584 -0.039 0.000 1.135 158 A CA -0.651 51.351 52.037 -0.057 0.000 0.817 158 A CB 0.933 19.889 19.000 -0.074 0.000 1.269 158 A HN 0.024 nan 8.150 nan 0.000 0.469 159 K N 1.542 121.893 120.400 -0.082 0.000 2.363 159 K HA 0.367 4.687 4.320 -0.001 0.000 0.240 159 K C -1.029 175.520 176.600 -0.086 0.000 1.169 159 K CA -0.124 56.085 56.287 -0.131 0.000 1.131 159 K CB 0.589 32.758 32.500 -0.553 0.000 1.771 159 K HN 0.377 nan 8.250 nan 0.000 0.380 160 V N 1.506 121.475 119.914 0.091 0.000 2.498 160 V HA 0.066 4.186 4.120 -0.001 0.000 0.279 160 V C 1.739 178.043 176.094 0.350 0.000 1.048 160 V CA 0.023 62.407 62.300 0.139 0.000 0.967 160 V CB 1.301 33.148 31.823 0.040 0.000 0.988 160 V HN 0.876 nan 8.190 nan 0.000 0.473 161 G N 4.286 113.314 108.800 0.380 0.000 2.574 161 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.220 161 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.220 161 G C 1.563 176.685 174.900 0.369 0.000 1.173 161 G CA 1.156 46.511 45.100 0.424 0.000 0.772 161 G HN 0.977 nan 8.290 nan 0.000 0.585 162 G N 0.811 109.753 108.800 0.236 0.000 2.450 162 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.220 162 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.220 162 G C 1.726 176.720 174.900 0.157 0.000 1.130 162 G CA 1.216 46.416 45.100 0.168 0.000 0.760 162 G HN 0.442 nan 8.290 nan 0.000 0.557 163 N N 0.201 118.983 118.700 0.136 0.000 2.149 163 N HA -0.114 4.625 4.740 -0.001 0.000 0.188 163 N C 1.501 177.078 175.510 0.111 0.000 1.019 163 N CA 0.851 53.929 53.050 0.048 0.000 0.857 163 N CB -0.484 37.924 38.487 -0.132 0.000 0.997 163 N HN 0.476 nan 8.380 nan 0.000 0.426 164 Y N 0.011 120.452 120.300 0.234 0.000 2.632 164 Y HA 0.040 4.590 4.550 -0.000 0.000 0.301 164 Y C 1.961 177.911 175.900 0.084 0.000 1.172 164 Y CA -0.026 58.185 58.100 0.186 0.000 1.328 164 Y CB -0.216 38.369 38.460 0.210 0.000 1.016 164 Y HN -0.122 nan 8.280 nan 0.000 0.529 165 V N 0.268 120.261 119.914 0.131 0.000 2.453 165 V HA -0.277 3.843 4.120 -0.001 0.000 0.247 165 V C 2.419 178.453 176.094 -0.100 0.000 1.048 165 V CA 1.934 64.241 62.300 0.012 0.000 1.049 165 V CB -0.436 31.391 31.823 0.007 0.000 0.672 165 V HN 0.572 nan 8.190 nan 0.000 0.457 166 N N 0.122 118.795 118.700 -0.044 0.000 2.142 166 N HA -0.154 4.586 4.740 -0.001 0.000 0.186 166 N C 1.932 177.335 175.510 -0.178 0.000 1.023 166 N CA 1.844 54.812 53.050 -0.137 0.000 0.852 166 N CB 0.074 38.532 38.487 -0.047 0.000 0.998 166 N HN 0.425 nan 8.380 nan 0.000 0.424 167 S N 0.596 116.232 115.700 -0.107 0.000 2.368 167 S HA -0.014 4.456 4.470 -0.001 0.000 0.224 167 S C 2.124 176.707 174.600 -0.028 0.000 1.029 167 S CA 1.053 59.219 58.200 -0.056 0.000 0.988 167 S CB -0.316 62.905 63.200 0.035 0.000 0.838 167 S HN 0.570 nan 8.310 nan 0.000 0.462 168 A N 1.443 124.251 122.820 -0.020 0.000 1.902 168 A HA -0.014 4.306 4.320 -0.001 0.000 0.217 168 A C 2.114 179.616 177.584 -0.136 0.000 1.181 168 A CA 1.163 53.175 52.037 -0.043 0.000 0.623 168 A CB -0.747 18.235 19.000 -0.030 0.000 0.818 168 A HN 0.445 nan 8.150 nan 0.000 0.443 169 L N -0.820 120.224 121.223 -0.298 0.000 2.046 169 L HA -0.201 4.139 4.340 -0.001 0.000 0.208 169 L C 3.095 179.774 176.870 -0.319 0.000 1.077 169 L CA 1.118 55.651 54.840 -0.512 0.000 0.747 169 L CB -0.504 40.795 42.059 -1.266 0.000 0.896 169 L HN 0.442 nan 8.230 nan 0.000 0.432 170 A N -0.075 122.620 122.820 -0.209 0.000 1.873 170 A HA -0.232 4.087 4.320 -0.001 0.000 0.215 170 A C 2.299 179.902 177.584 0.031 0.000 1.186 170 A CA 1.871 53.916 52.037 0.013 0.000 0.616 170 A CB -0.386 18.627 19.000 0.022 0.000 0.823 170 A HN 0.210 nan 8.150 nan 0.000 0.442 171 K N -0.130 120.271 120.400 0.002 0.000 2.026 171 K HA -0.037 4.282 4.320 -0.001 0.000 0.208 171 K C 1.972 178.587 176.600 0.025 0.000 1.048 171 K CA 1.971 58.272 56.287 0.022 0.000 0.929 171 K CB -0.480 32.036 32.500 0.027 0.000 0.713 171 K HN 0.490 nan 8.250 nan 0.000 0.439 172 M N 0.331 119.936 119.600 0.009 0.000 2.108 172 M HA -0.197 4.283 4.480 -0.001 0.000 0.261 172 M C 2.252 178.583 176.300 0.052 0.000 1.066 172 M CA 2.082 57.394 55.300 0.021 0.000 1.107 172 M CB -0.421 32.181 32.600 0.003 0.000 1.356 172 M HN 0.345 nan 8.290 nan 0.000 0.406 173 E N 0.525 120.773 120.200 0.080 0.000 2.051 173 E HA -0.206 4.143 4.350 -0.001 0.000 0.192 173 E C 1.922 178.580 176.600 0.097 0.000 0.991 173 E CA 1.433 57.907 56.400 0.123 0.000 0.799 173 E CB -0.001 29.823 29.700 0.207 0.000 0.748 173 E HN 0.466 nan 8.360 nan 0.000 0.449 174 A N 0.688 123.555 122.820 0.078 0.000 1.858 174 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 174 A C 2.456 180.069 177.584 0.049 0.000 1.190 174 A CA 1.653 53.723 52.037 0.054 0.000 0.617 174 A CB -0.835 18.186 19.000 0.035 0.000 0.827 174 A HN 0.237 nan 8.150 nan 0.000 0.443 175 V N -0.086 119.855 119.914 0.045 0.000 2.343 175 V HA -0.252 3.867 4.120 -0.001 0.000 0.247 175 V C 3.040 179.168 176.094 0.057 0.000 1.051 175 V CA 1.957 64.283 62.300 0.042 0.000 1.036 175 V CB -1.246 30.598 31.823 0.034 0.000 0.654 175 V HN 0.623 nan 8.190 nan 0.000 0.451 176 A N -0.074 122.783 122.820 0.063 0.000 1.972 176 A HA -0.045 4.274 4.320 -0.001 0.000 0.219 176 A C 2.241 179.880 177.584 0.092 0.000 1.169 176 A CA 1.788 53.866 52.037 0.069 0.000 0.635 176 A CB -0.563 18.478 19.000 0.069 0.000 0.810 176 A HN 0.600 nan 8.150 nan 0.000 0.446 177 A N -1.899 120.988 122.820 0.111 0.000 2.238 177 A HA 0.407 4.727 4.320 -0.001 0.000 0.208 177 A C 1.732 179.452 177.584 0.227 0.000 1.177 177 A CA 1.206 53.343 52.037 0.167 0.000 0.804 177 A CB -0.865 18.240 19.000 0.175 0.000 0.823 177 A HN 1.871 nan 8.150 nan 0.000 0.482 178 G N -2.446 106.445 108.800 0.151 0.000 2.141 178 G HA2 0.139 4.099 3.960 -0.001 0.000 0.231 178 G HA3 0.139 4.099 3.960 -0.001 0.000 0.231 178 G C 0.332 175.271 174.900 0.066 0.000 0.984 178 G CA 0.309 45.504 45.100 0.158 0.000 0.660 178 G HN 1.519 nan 8.290 nan 0.000 0.525 179 A N -0.541 122.279 122.820 0.000 0.000 2.269 179 A HA 0.743 5.063 4.320 -0.001 0.000 0.327 179 A C 0.981 178.544 177.584 -0.035 0.000 1.112 179 A CA 0.375 52.359 52.037 -0.088 0.000 0.865 179 A CB 0.741 19.657 19.000 -0.140 0.000 1.227 179 A HN 0.031 nan 8.150 nan 0.000 0.498 180 D N -0.758 119.615 120.400 -0.045 0.000 2.213 180 D HA 0.118 4.758 4.640 -0.001 0.000 0.205 180 D C 0.175 176.479 176.300 0.007 0.000 0.961 180 D CA 1.249 55.243 54.000 -0.010 0.000 0.853 180 D CB 0.529 41.325 40.800 -0.008 0.000 0.967 180 D HN 0.576 nan 8.370 nan 0.000 0.496 181 E N -0.732 119.466 120.200 -0.003 0.000 2.423 181 E HA 0.547 4.897 4.350 -0.001 0.000 0.280 181 E C -1.847 174.757 176.600 0.007 0.000 1.030 181 E CA -0.839 55.571 56.400 0.016 0.000 0.812 181 E CB 1.633 31.352 29.700 0.031 0.000 1.313 181 E HN -0.077 nan 8.360 nan 0.000 0.456 182 A N 2.236 125.068 122.820 0.022 0.000 2.312 182 A HA 0.720 5.040 4.320 -0.001 0.000 0.328 182 A C -1.101 176.493 177.584 0.017 0.000 1.158 182 A CA -0.675 51.376 52.037 0.022 0.000 0.821 182 A CB 0.571 19.595 19.000 0.040 0.000 1.170 182 A HN 0.582 nan 8.150 nan 0.000 0.490 183 L N 2.860 124.089 121.223 0.011 0.000 2.298 183 L HA 0.603 4.943 4.340 -0.001 0.000 0.284 183 L C -1.631 175.238 176.870 -0.002 0.000 1.013 183 L CA -0.728 54.112 54.840 0.000 0.000 0.824 183 L CB 0.849 42.904 42.059 -0.007 0.000 1.221 183 L HN 0.621 nan 8.230 nan 0.000 0.418 184 L N 5.431 126.646 121.223 -0.014 0.000 2.343 184 L HA 0.505 4.844 4.340 -0.001 0.000 0.275 184 L C -0.165 176.686 176.870 -0.032 0.000 1.056 184 L CA -0.017 54.811 54.840 -0.021 0.000 0.804 184 L CB 1.542 43.570 42.059 -0.052 0.000 1.203 184 L HN 0.531 nan 8.230 nan 0.000 0.440 185 L N 0.994 122.201 121.223 -0.027 0.000 2.352 185 L HA 0.501 4.841 4.340 -0.001 0.000 0.269 185 L C -0.321 176.540 176.870 -0.016 0.000 1.034 185 L CA -1.140 53.685 54.840 -0.024 0.000 0.806 185 L CB 1.518 43.553 42.059 -0.040 0.000 1.244 185 L HN 0.644 nan 8.230 nan 0.000 0.447 186 D N -0.694 119.715 120.400 0.015 0.000 2.433 186 D HA 0.014 4.654 4.640 -0.001 0.000 0.255 186 D C 0.619 176.935 176.300 0.027 0.000 1.226 186 D CA -0.500 53.514 54.000 0.024 0.000 1.015 186 D CB 0.637 41.473 40.800 0.060 0.000 1.091 186 D HN 0.467 nan 8.370 nan 0.000 0.527 187 E N -0.932 119.290 120.200 0.036 0.000 2.265 187 E HA -0.168 4.181 4.350 -0.001 0.000 0.196 187 E C 1.166 177.783 176.600 0.027 0.000 0.996 187 E CA 1.114 57.531 56.400 0.028 0.000 0.832 187 E CB -0.065 29.659 29.700 0.040 0.000 0.756 187 E HN 0.460 nan 8.360 nan 0.000 0.491 188 E N -1.561 118.678 120.200 0.065 0.000 2.435 188 E HA 0.175 4.525 4.350 -0.001 0.000 0.195 188 E C 1.197 177.784 176.600 -0.022 0.000 1.029 188 E CA 0.770 57.217 56.400 0.078 0.000 0.865 188 E CB 0.289 30.117 29.700 0.212 0.000 0.833 188 E HN 0.323 nan 8.360 nan 0.000 0.510 189 G N -0.985 107.787 108.800 -0.046 0.000 2.184 189 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.206 189 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.206 189 G C -0.192 174.561 174.900 -0.244 0.000 0.995 189 G CA -0.294 44.703 45.100 -0.172 0.000 0.651 189 G HN 0.210 nan 8.290 nan 0.000 0.511 190 Y N 0.274 120.539 120.300 -0.060 0.000 2.316 190 Y HA 0.530 5.080 4.550 -0.000 0.000 0.324 190 Y C 1.286 177.138 175.900 -0.079 0.000 1.267 190 Y CA -0.691 57.364 58.100 -0.074 0.000 1.311 190 Y CB 1.177 39.602 38.460 -0.059 0.000 1.267 190 Y HN 0.040 nan 8.280 nan 0.000 0.516 191 V N 2.594 122.551 119.914 0.072 0.000 2.673 191 V HA 0.110 4.230 4.120 -0.001 0.000 0.303 191 V C 0.536 176.639 176.094 0.014 0.000 1.046 191 V CA 0.871 63.170 62.300 -0.002 0.000 1.126 191 V CB 0.384 32.178 31.823 -0.050 0.000 0.934 191 V HN 1.053 nan 8.190 nan 0.000 0.487 192 A N 4.460 127.273 122.820 -0.011 0.000 2.164 192 A HA 0.540 4.860 4.320 -0.001 0.000 0.218 192 A C 0.498 178.065 177.584 -0.028 0.000 2.050 192 A CA 0.623 52.649 52.037 -0.018 0.000 0.910 192 A CB 0.311 19.289 19.000 -0.036 0.000 1.391 192 A HN 0.902 nan 8.150 nan 0.000 0.614 193 E N -2.379 117.802 120.200 -0.033 0.000 2.442 193 E HA 0.501 4.850 4.350 -0.001 0.000 0.278 193 E C -0.034 176.559 176.600 -0.012 0.000 1.082 193 E CA -0.653 55.736 56.400 -0.018 0.000 0.861 193 E CB 0.371 30.068 29.700 -0.005 0.000 1.462 193 E HN 0.522 nan 8.360 nan 0.000 0.458 194 G N -0.157 108.652 108.800 0.015 0.000 2.580 194 G HA2 0.264 4.224 3.960 -0.001 0.000 0.278 194 G HA3 0.264 4.224 3.960 -0.001 0.000 0.278 194 G C 0.867 175.782 174.900 0.024 0.000 1.212 194 G CA -0.009 45.107 45.100 0.026 0.000 0.939 194 G HN 0.612 nan 8.290 nan 0.000 0.513 195 S N -1.403 114.318 115.700 0.034 0.000 2.419 195 S HA 0.073 4.543 4.470 -0.001 0.000 0.233 195 S C 1.544 176.206 174.600 0.104 0.000 1.016 195 S CA 1.345 59.568 58.200 0.039 0.000 0.974 195 S CB 0.015 63.245 63.200 0.050 0.000 0.786 195 S HN 1.401 nan 8.310 nan 0.000 0.492 196 G N -0.118 108.759 108.800 0.128 0.000 4.908 196 G HA2 0.546 4.505 3.960 -0.001 0.000 0.267 196 G HA3 0.546 4.505 3.960 -0.001 0.000 0.267 196 G C -0.701 174.296 174.900 0.163 0.000 0.958 196 G CA -0.541 44.676 45.100 0.194 0.000 0.743 196 G HN 0.418 nan 8.290 nan 0.000 0.410 197 E N -0.389 119.885 120.200 0.123 0.000 2.433 197 E HA 0.408 4.758 4.350 -0.001 0.000 0.278 197 E C -0.877 175.782 176.600 0.098 0.000 0.976 197 E CA -0.763 55.709 56.400 0.120 0.000 0.793 197 E CB 1.275 31.043 29.700 0.114 0.000 1.311 197 E HN 0.173 nan 8.360 nan 0.000 0.460 198 N N 0.248 119.016 118.700 0.114 0.000 2.489 198 N HA 0.496 5.235 4.740 -0.001 0.000 0.284 198 N C -1.073 174.486 175.510 0.081 0.000 1.158 198 N CA -0.672 52.422 53.050 0.074 0.000 0.965 198 N CB 0.816 39.352 38.487 0.081 0.000 1.195 198 N HN 0.105 nan 8.380 nan 0.000 0.506 199 L N 1.680 122.884 121.223 -0.033 0.000 2.342 199 L HA 0.592 4.932 4.340 -0.001 0.000 0.271 199 L C -1.041 175.700 176.870 -0.215 0.000 1.008 199 L CA -0.311 54.510 54.840 -0.032 0.000 0.818 199 L CB 1.014 43.057 42.059 -0.027 0.000 1.296 199 L HN 0.566 nan 8.230 nan 0.000 0.427 200 F N 1.889 121.606 119.950 -0.389 0.000 2.626 200 F HA 0.644 5.170 4.527 -0.001 0.000 0.311 200 F C -0.174 175.430 175.800 -0.326 0.000 1.088 200 F CA -0.773 56.896 58.000 -0.552 0.000 0.949 200 F CB 2.039 40.205 39.000 -1.390 0.000 1.322 200 F HN 0.324 nan 8.300 nan 0.000 0.461 201 F N -0.807 119.109 119.950 -0.057 0.000 2.645 201 F HA 0.907 5.434 4.527 -0.000 0.000 0.310 201 F C -2.094 173.836 175.800 0.216 0.000 1.102 201 F CA -1.393 56.634 58.000 0.044 0.000 0.952 201 F CB 1.172 40.178 39.000 0.011 0.000 1.326 201 F HN 0.210 nan 8.300 nan 0.000 0.456 202 V N 2.070 122.206 119.914 0.371 0.000 2.656 202 V HA 0.815 4.934 4.120 -0.001 0.000 0.307 202 V C -1.001 175.306 176.094 0.354 0.000 1.051 202 V CA -0.646 61.832 62.300 0.296 0.000 0.893 202 V CB 1.711 33.672 31.823 0.230 0.000 0.999 202 V HN 0.881 nan 8.190 nan 0.000 0.426 203 R N 2.667 123.388 120.500 0.368 0.000 2.522 203 R HA 0.489 4.829 4.340 -0.001 0.000 0.283 203 R C -1.000 175.461 176.300 0.268 0.000 1.074 203 R CA -0.311 55.974 56.100 0.309 0.000 0.925 203 R CB 0.857 31.336 30.300 0.299 0.000 1.205 203 R HN 0.747 nan 8.270 nan 0.000 0.436 204 D N 3.862 124.374 120.400 0.187 0.000 2.697 204 D HA -0.186 4.454 4.640 -0.001 0.000 0.235 204 D C 0.767 177.155 176.300 0.147 0.000 1.167 204 D CA 2.130 56.220 54.000 0.150 0.000 0.656 204 D CB -1.108 39.776 40.800 0.140 0.000 1.025 204 D HN 1.057 nan 8.370 nan 0.000 0.419 205 G N -2.420 106.471 108.800 0.152 0.000 2.245 205 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.264 205 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.264 205 G C 0.450 175.441 174.900 0.151 0.000 0.985 205 G CA 0.395 45.589 45.100 0.157 0.000 0.625 205 G HN 0.659 nan 8.290 nan 0.000 0.536 206 V N 1.920 121.903 119.914 0.114 0.000 2.481 206 V HA 0.580 4.700 4.120 -0.001 0.000 0.286 206 V C 0.829 176.841 176.094 -0.136 0.000 1.042 206 V CA -0.633 61.641 62.300 -0.044 0.000 0.928 206 V CB 1.771 33.491 31.823 -0.172 0.000 0.986 206 V HN 0.300 nan 8.190 nan 0.000 0.462 207 I N 4.524 124.955 120.570 -0.232 0.000 2.331 207 I HA 0.339 4.509 4.170 -0.001 0.000 0.292 207 I C -1.071 174.785 176.117 -0.434 0.000 0.998 207 I CA -0.315 60.879 61.300 -0.176 0.000 1.267 207 I CB 0.818 38.789 38.000 -0.049 0.000 1.386 207 I HN 0.528 nan 8.210 nan 0.000 0.476 208 Y N 5.245 125.322 120.300 -0.372 0.000 2.356 208 Y HA 0.583 5.133 4.550 -0.000 0.000 0.334 208 Y C 0.468 176.081 175.900 -0.478 0.000 0.958 208 Y CA -0.672 57.073 58.100 -0.592 0.000 1.196 208 Y CB 1.532 39.148 38.460 -1.407 0.000 1.137 208 Y HN 0.580 nan 8.280 nan 0.000 0.485 209 A N 4.457 127.114 122.820 -0.273 0.000 2.304 209 A HA 0.711 5.031 4.320 -0.001 0.000 0.301 209 A C -0.527 176.798 177.584 -0.432 0.000 1.132 209 A CA -0.700 50.955 52.037 -0.636 0.000 0.819 209 A CB 0.566 19.222 19.000 -0.573 0.000 1.094 209 A HN 0.810 nan 8.150 nan 0.000 0.492 210 L N 1.590 122.528 121.223 -0.476 0.000 2.418 210 L HA 0.241 4.580 4.340 -0.001 0.000 0.265 210 L C 0.714 177.414 176.870 -0.283 0.000 1.143 210 L CA -0.395 54.297 54.840 -0.247 0.000 0.809 210 L CB 0.644 42.602 42.059 -0.169 0.000 1.124 210 L HN 0.798 nan 8.230 nan 0.000 0.456 211 E N 0.755 120.833 120.200 -0.202 0.000 2.425 211 E HA -0.039 4.310 4.350 -0.001 0.000 0.258 211 E C 0.595 177.073 176.600 -0.203 0.000 1.151 211 E CA -0.449 55.812 56.400 -0.232 0.000 0.958 211 E CB 0.625 30.242 29.700 -0.138 0.000 0.968 211 E HN 0.479 nan 8.360 nan 0.000 0.451 212 H N 0.916 119.947 119.070 -0.064 0.000 2.423 212 H HA -0.132 4.423 4.556 -0.001 0.000 0.297 212 H C 1.767 177.076 175.328 -0.032 0.000 1.075 212 H CA 1.134 57.154 56.048 -0.046 0.000 1.342 212 H CB -0.242 29.502 29.762 -0.031 0.000 1.395 212 H HN 0.712 nan 8.280 nan 0.000 0.530 213 S N 0.362 116.104 115.700 0.071 0.000 4.135 213 S HA -0.325 4.144 4.470 -0.001 0.000 0.538 213 S C 1.730 176.367 174.600 0.062 0.000 1.522 213 S CA 2.858 61.078 58.200 0.033 0.000 3.869 213 S CB -1.474 61.722 63.200 -0.006 0.000 1.628 213 S HN 0.381 nan 8.310 nan 0.000 0.492 214 V N -0.089 119.863 119.914 0.062 0.000 3.514 214 V HA 0.426 4.546 4.120 -0.001 0.000 0.301 214 V C 0.547 176.714 176.094 0.122 0.000 1.346 214 V CA -0.032 62.329 62.300 0.102 0.000 1.156 214 V CB -1.238 30.655 31.823 0.117 0.000 1.029 214 V HN 0.588 nan 8.190 nan 0.000 0.428 215 N N 0.976 119.729 118.700 0.089 0.000 2.434 215 N HA 0.452 5.192 4.740 -0.001 0.000 0.266 215 N C -0.587 174.976 175.510 0.089 0.000 1.223 215 N CA -0.524 52.577 53.050 0.086 0.000 0.972 215 N CB 1.724 40.251 38.487 0.066 0.000 1.207 215 N HN 0.278 nan 8.380 nan 0.000 0.525 216 L N 0.628 121.901 121.223 0.084 0.000 2.397 216 L HA 0.119 4.458 4.340 -0.001 0.000 0.271 216 L C 0.249 177.147 176.870 0.048 0.000 1.148 216 L CA 0.107 54.981 54.840 0.056 0.000 0.825 216 L CB 0.288 42.396 42.059 0.082 0.000 1.117 216 L HN 0.415 nan 8.230 nan 0.000 0.456 217 E N 4.073 124.248 120.200 -0.042 0.000 1.814 217 E HA 0.222 4.571 4.350 -0.001 0.000 0.264 217 E C 0.135 176.746 176.600 0.018 0.000 1.179 217 E CA -0.240 56.117 56.400 -0.071 0.000 0.972 217 E CB 0.168 29.657 29.700 -0.352 0.000 1.077 217 E HN 0.851 nan 8.360 nan 0.000 0.417 218 G N 2.344 111.197 108.800 0.088 0.000 2.353 218 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.239 218 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.239 218 G C 0.799 175.732 174.900 0.055 0.000 1.295 218 G CA -0.296 44.853 45.100 0.082 0.000 0.884 218 G HN 0.571 nan 8.290 nan 0.000 0.537 219 I N 1.422 121.991 120.570 -0.001 0.000 2.617 219 I HA -0.110 4.060 4.170 -0.001 0.000 0.256 219 I C 2.703 178.835 176.117 0.025 0.000 1.167 219 I CA 0.983 62.243 61.300 -0.065 0.000 1.469 219 I CB -0.001 37.846 38.000 -0.255 0.000 1.098 219 I HN 0.498 nan 8.210 nan 0.000 0.436 220 T N 0.282 114.893 114.554 0.094 0.000 2.857 220 T HA -0.149 4.201 4.350 -0.001 0.000 0.266 220 T C 1.980 176.720 174.700 0.066 0.000 1.048 220 T CA 0.935 63.075 62.100 0.067 0.000 1.139 220 T CB -0.219 68.652 68.868 0.006 0.000 0.874 220 T HN 0.311 nan 8.240 nan 0.000 0.455 221 R N 1.270 121.872 120.500 0.170 0.000 2.083 221 R HA -0.177 4.162 4.340 -0.001 0.000 0.237 221 R C 2.174 178.649 176.300 0.292 0.000 1.137 221 R CA 2.240 58.553 56.100 0.354 0.000 0.951 221 R CB -0.497 29.964 30.300 0.268 0.000 0.851 221 R HN 0.379 nan 8.270 nan 0.000 0.434 222 D N -0.395 120.108 120.400 0.171 0.000 2.104 222 D HA -0.132 4.507 4.640 -0.001 0.000 0.194 222 D C 1.705 178.097 176.300 0.153 0.000 0.994 222 D CA 2.035 56.123 54.000 0.147 0.000 0.830 222 D CB 0.044 40.892 40.800 0.081 0.000 0.959 222 D HN 0.207 nan 8.370 nan 0.000 0.452 223 S N -0.805 114.929 115.700 0.055 0.000 2.368 223 S HA -0.133 4.337 4.470 -0.001 0.000 0.225 223 S C 2.189 176.895 174.600 0.176 0.000 1.030 223 S CA 0.948 59.160 58.200 0.020 0.000 0.999 223 S CB -0.318 62.797 63.200 -0.143 0.000 0.844 223 S HN 0.180 nan 8.310 nan 0.000 0.459 224 V N 2.032 121.996 119.914 0.084 0.000 2.407 224 V HA -0.150 3.970 4.120 -0.001 0.000 0.248 224 V C 2.028 178.177 176.094 0.091 0.000 1.055 224 V CA 1.396 63.698 62.300 0.003 0.000 1.049 224 V CB -0.692 31.001 31.823 -0.216 0.000 0.662 224 V HN 0.447 nan 8.190 nan 0.000 0.455 225 I N -0.322 120.369 120.570 0.201 0.000 2.252 225 I HA -0.225 3.945 4.170 -0.001 0.000 0.245 225 I C 2.752 178.993 176.117 0.207 0.000 1.102 225 I CA 1.645 63.080 61.300 0.225 0.000 1.385 225 I CB -0.396 37.747 38.000 0.238 0.000 1.064 225 I HN 0.218 nan 8.210 nan 0.000 0.414 226 R N 1.434 122.088 120.500 0.256 0.000 2.081 226 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 226 R C 2.317 178.788 176.300 0.284 0.000 1.131 226 R CA 1.527 57.800 56.100 0.289 0.000 0.960 226 R CB -0.202 30.352 30.300 0.422 0.000 0.856 226 R HN 0.294 nan 8.270 nan 0.000 0.436 227 I N 0.806 121.541 120.570 0.274 0.000 2.179 227 I HA -0.259 3.911 4.170 -0.001 0.000 0.242 227 I C 2.613 178.864 176.117 0.224 0.000 1.088 227 I CA 1.298 62.742 61.300 0.241 0.000 1.357 227 I CB -0.464 37.620 38.000 0.140 0.000 1.051 227 I HN 0.317 nan 8.210 nan 0.000 0.409 228 A N 0.990 123.918 122.820 0.181 0.000 1.883 228 A HA -0.262 4.057 4.320 -0.001 0.000 0.217 228 A C 2.316 180.067 177.584 0.279 0.000 1.186 228 A CA 1.918 54.091 52.037 0.226 0.000 0.624 228 A CB -0.545 18.522 19.000 0.112 0.000 0.822 228 A HN 0.338 nan 8.150 nan 0.000 0.444 229 K N -0.621 119.898 120.400 0.198 0.000 2.097 229 K HA -0.142 4.177 4.320 -0.001 0.000 0.206 229 K C 1.526 178.202 176.600 0.127 0.000 1.049 229 K CA 1.393 57.770 56.287 0.150 0.000 0.933 229 K CB -0.261 32.312 32.500 0.123 0.000 0.717 229 K HN 0.385 nan 8.250 nan 0.000 0.442 230 D N 0.970 121.463 120.400 0.156 0.000 2.178 230 D HA -0.119 4.521 4.640 -0.001 0.000 0.201 230 D C 1.625 177.980 176.300 0.091 0.000 0.980 230 D CA 0.978 55.053 54.000 0.124 0.000 0.842 230 D CB -0.014 40.901 40.800 0.192 0.000 0.948 230 D HN 0.157 nan 8.370 nan 0.000 0.472 231 L N -0.882 120.417 121.223 0.126 0.000 2.554 231 L HA 0.154 4.493 4.340 -0.001 0.000 0.226 231 L C 1.516 178.323 176.870 -0.104 0.000 1.137 231 L CA 0.505 55.376 54.840 0.052 0.000 0.863 231 L CB -0.004 42.154 42.059 0.166 0.000 0.985 231 L HN 0.147 nan 8.230 nan 0.000 0.451 232 G N -1.572 107.199 108.800 -0.049 0.000 2.159 232 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.227 232 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.227 232 G C -0.054 174.765 174.900 -0.135 0.000 0.986 232 G CA -0.563 44.471 45.100 -0.111 0.000 0.651 232 G HN 0.186 nan 8.290 nan 0.000 0.523 233 Y N 0.984 121.292 120.300 0.013 0.000 2.304 233 Y HA 0.496 5.045 4.550 -0.001 0.000 0.327 233 Y C 0.934 176.826 175.900 -0.012 0.000 1.209 233 Y CA -0.211 57.891 58.100 0.002 0.000 1.299 233 Y CB 0.756 39.220 38.460 0.008 0.000 1.249 233 Y HN 0.262 nan 8.280 nan 0.000 0.519 234 E N 1.843 122.127 120.200 0.140 0.000 2.259 234 E HA 0.459 4.808 4.350 -0.001 0.000 0.281 234 E C -1.641 174.944 176.600 -0.026 0.000 1.027 234 E CA -0.413 56.005 56.400 0.030 0.000 0.838 234 E CB 0.786 30.478 29.700 -0.014 0.000 1.066 234 E HN 0.428 nan 8.360 nan 0.000 0.401 235 V N 5.089 124.975 119.914 -0.047 0.000 2.487 235 V HA 0.269 4.388 4.120 -0.001 0.000 0.298 235 V C -0.447 175.553 176.094 -0.157 0.000 1.028 235 V CA -0.880 61.362 62.300 -0.096 0.000 0.860 235 V CB 1.607 33.437 31.823 0.012 0.000 0.991 235 V HN 0.691 nan 8.190 nan 0.000 0.427 236 Q N 2.890 122.510 119.800 -0.300 0.000 2.345 236 Q HA 0.643 4.982 4.340 -0.001 0.000 0.268 236 Q C -1.034 174.872 176.000 -0.158 0.000 1.054 236 Q CA -0.654 55.008 55.803 -0.235 0.000 0.835 236 Q CB 2.904 31.443 28.738 -0.332 0.000 1.339 236 Q HN 0.521 nan 8.270 nan 0.000 0.447 237 V N 2.623 122.484 119.914 -0.089 0.000 2.357 237 V HA 0.611 4.731 4.120 -0.001 0.000 0.284 237 V C 0.174 176.241 176.094 -0.045 0.000 1.018 237 V CA -0.572 61.666 62.300 -0.104 0.000 0.841 237 V CB 1.323 33.068 31.823 -0.129 0.000 0.991 237 V HN 0.618 nan 8.190 nan 0.000 0.437 238 V N 2.596 122.497 119.914 -0.021 0.000 3.182 238 V HA 0.731 4.851 4.120 -0.001 0.000 0.308 238 V C -0.580 175.509 176.094 -0.007 0.000 1.240 238 V CA -1.346 60.967 62.300 0.021 0.000 1.063 238 V CB 2.166 34.066 31.823 0.127 0.000 1.076 238 V HN 0.810 nan 8.190 nan 0.000 0.446 239 R N 0.894 121.377 120.500 -0.028 0.000 2.428 239 R HA 0.861 5.201 4.340 -0.001 0.000 0.294 239 R C -0.429 175.884 176.300 0.022 0.000 1.000 239 R CA 0.342 56.392 56.100 -0.083 0.000 0.960 239 R CB 1.453 31.597 30.300 -0.260 0.000 1.076 239 R HN 1.446 nan 8.270 nan 0.000 0.475 240 A N 1.937 124.797 122.820 0.065 0.000 2.498 240 A HA 0.543 4.863 4.320 -0.001 0.000 0.298 240 A C -0.731 176.898 177.584 0.075 0.000 1.075 240 A CA -0.717 51.352 52.037 0.054 0.000 0.714 240 A CB 1.731 20.730 19.000 -0.003 0.000 1.299 240 A HN 0.834 nan 8.150 nan 0.000 0.407 241 T N -1.707 112.807 114.554 -0.066 0.000 2.952 241 T HA 0.455 4.805 4.350 -0.001 0.000 0.286 241 T C 1.218 175.727 174.700 -0.318 0.000 1.024 241 T CA -0.198 61.804 62.100 -0.165 0.000 1.029 241 T CB 1.213 69.959 68.868 -0.203 0.000 1.094 241 T HN 0.876 nan 8.240 nan 0.000 0.515 242 R N 0.975 121.249 120.500 -0.377 0.000 2.096 242 R HA -0.118 4.222 4.340 -0.001 0.000 0.235 242 R C 1.040 176.747 176.300 -0.988 0.000 1.127 242 R CA 1.953 57.694 56.100 -0.599 0.000 0.968 242 R CB -0.939 29.038 30.300 -0.538 0.000 0.861 242 R HN 0.760 nan 8.270 nan 0.000 0.440 243 D N 0.592 120.566 120.400 -0.710 0.000 2.317 243 D HA -0.133 4.507 4.640 -0.001 0.000 0.211 243 D C 1.629 177.727 176.300 -0.337 0.000 0.966 243 D CA 0.633 54.314 54.000 -0.532 0.000 0.876 243 D CB -0.262 40.433 40.800 -0.175 0.000 0.927 243 D HN 0.442 nan 8.370 nan 0.000 0.519 244 Q N -0.037 119.523 119.800 -0.400 0.000 2.172 244 Q HA 0.063 4.403 4.340 -0.001 0.000 0.200 244 Q C 2.365 178.024 176.000 -0.567 0.000 0.964 244 Q CA 0.590 56.128 55.803 -0.441 0.000 0.855 244 Q CB 0.097 28.521 28.738 -0.522 0.000 0.918 244 Q HN 0.347 nan 8.270 nan 0.000 0.444 245 L N -0.795 120.081 121.223 -0.579 0.000 2.072 245 L HA -0.151 4.188 4.340 -0.001 0.000 0.205 245 L C 2.069 178.872 176.870 -0.112 0.000 1.079 245 L CA 1.184 55.772 54.840 -0.420 0.000 0.752 245 L CB -0.662 41.201 42.059 -0.327 0.000 0.906 245 L HN 0.328 nan 8.230 nan 0.000 0.436 246 Y N -0.178 120.034 120.300 -0.147 0.000 2.241 246 Y HA -0.256 4.294 4.550 -0.001 0.000 0.286 246 Y C 2.488 178.350 175.900 -0.063 0.000 1.166 246 Y CA 0.638 58.689 58.100 -0.082 0.000 1.203 246 Y CB -0.199 38.221 38.460 -0.067 0.000 0.977 246 Y HN 0.228 nan 8.280 nan 0.000 0.529 247 M N -0.446 119.195 119.600 0.068 0.000 2.495 247 M HA 0.186 4.666 4.480 -0.001 0.000 0.237 247 M C 0.873 177.191 176.300 0.030 0.000 1.131 247 M CA -0.270 55.051 55.300 0.035 0.000 1.032 247 M CB 0.220 32.822 32.600 0.004 0.000 1.513 247 M HN 0.040 nan 8.290 nan 0.000 0.488 248 A N 0.874 123.705 122.820 0.019 0.000 2.366 248 A HA 0.088 4.407 4.320 -0.001 0.000 0.249 248 A C 0.584 178.248 177.584 0.133 0.000 1.084 248 A CA -0.293 51.810 52.037 0.110 0.000 0.794 248 A CB 0.331 19.433 19.000 0.169 0.000 1.034 248 A HN 0.261 nan 8.150 nan 0.000 0.491 249 D N 0.078 120.578 120.400 0.168 0.000 2.194 249 D HA 0.031 4.671 4.640 -0.001 0.000 0.204 249 D C 0.278 176.666 176.300 0.146 0.000 0.964 249 D CA 1.337 55.420 54.000 0.139 0.000 0.846 249 D CB 0.285 41.169 40.800 0.139 0.000 0.962 249 D HN 0.715 nan 8.370 nan 0.000 0.490 250 E N -0.701 119.617 120.200 0.196 0.000 2.413 250 E HA 0.538 4.888 4.350 -0.001 0.000 0.277 250 E C -1.328 175.436 176.600 0.274 0.000 0.958 250 E CA -0.701 55.826 56.400 0.212 0.000 0.779 250 E CB 3.366 33.196 29.700 0.217 0.000 1.278 250 E HN -0.289 nan 8.360 nan 0.000 0.456 251 V N 1.954 122.026 119.914 0.264 0.000 2.888 251 V HA 0.622 4.742 4.120 -0.001 0.000 0.309 251 V C -1.335 174.940 176.094 0.302 0.000 1.114 251 V CA -0.863 61.577 62.300 0.233 0.000 0.940 251 V CB 1.438 33.346 31.823 0.142 0.000 1.021 251 V HN 0.668 nan 8.190 nan 0.000 0.426 252 F N 1.614 121.643 119.950 0.133 0.000 2.668 252 F HA 0.879 5.405 4.527 -0.000 0.000 0.309 252 F C -1.027 174.849 175.800 0.126 0.000 1.117 252 F CA -1.267 56.776 58.000 0.072 0.000 0.951 252 F CB 1.770 40.755 39.000 -0.024 0.000 1.323 252 F HN 0.348 nan 8.300 nan 0.000 0.451 253 M N 1.760 121.522 119.600 0.269 0.000 2.644 253 M HA 0.693 5.172 4.480 -0.001 0.000 0.316 253 M C -0.716 175.718 176.300 0.224 0.000 1.200 253 M CA -0.714 54.705 55.300 0.199 0.000 0.944 253 M CB 2.661 35.343 32.600 0.137 0.000 1.691 253 M HN 0.859 nan 8.290 nan 0.000 0.471 254 T N -1.158 113.517 114.554 0.201 0.000 2.900 254 T HA 0.941 5.291 4.350 -0.001 0.000 0.295 254 T C -0.486 174.281 174.700 0.112 0.000 1.044 254 T CA -0.745 61.425 62.100 0.116 0.000 0.995 254 T CB 2.157 71.110 68.868 0.142 0.000 1.072 254 T HN 1.031 nan 8.240 nan 0.000 0.473 255 G N 0.330 109.170 108.800 0.067 0.000 2.387 255 G HA2 0.441 4.401 3.960 -0.001 0.000 0.294 255 G HA3 0.441 4.401 3.960 -0.001 0.000 0.294 255 G C 0.265 175.248 174.900 0.140 0.000 1.509 255 G CA -0.143 45.031 45.100 0.123 0.000 0.806 255 G HN 0.640 nan 8.290 nan 0.000 0.546 256 T N 0.924 115.597 114.554 0.199 0.000 2.684 256 T HA -0.071 4.279 4.350 -0.001 0.000 0.267 256 T C 2.691 177.527 174.700 0.227 0.000 1.036 256 T CA 2.857 65.097 62.100 0.234 0.000 1.148 256 T CB -0.243 68.757 68.868 0.219 0.000 0.863 256 T HN 0.955 nan 8.240 nan 0.000 0.436 257 A N 0.904 123.842 122.820 0.197 0.000 1.935 257 A HA 0.459 4.779 4.320 -0.001 0.000 0.214 257 A C 2.493 180.233 177.584 0.261 0.000 1.178 257 A CA 1.264 53.418 52.037 0.195 0.000 0.640 257 A CB -0.753 18.277 19.000 0.051 0.000 0.825 257 A HN 0.475 nan 8.150 nan 0.000 0.447 258 A N -1.239 121.695 122.820 0.189 0.000 2.119 258 A HA 0.220 4.540 4.320 -0.001 0.000 0.216 258 A C 0.945 178.598 177.584 0.114 0.000 1.152 258 A CA 1.251 53.381 52.037 0.154 0.000 0.708 258 A CB -0.316 18.759 19.000 0.124 0.000 0.805 258 A HN 0.601 nan 8.150 nan 0.000 0.460 259 E N -2.420 117.839 120.200 0.098 0.000 3.213 259 E HA -0.248 4.102 4.350 -0.001 0.000 0.374 259 E C -0.504 175.970 176.600 -0.211 0.000 1.500 259 E CA 1.560 57.942 56.400 -0.030 0.000 1.497 259 E CB -1.152 28.640 29.700 0.155 0.000 1.692 259 E HN 0.294 nan 8.360 nan 0.000 0.494 260 V N 1.397 121.202 119.914 -0.181 0.000 2.349 260 V HA 0.347 4.467 4.120 -0.001 0.000 0.284 260 V C -0.531 175.532 176.094 -0.051 0.000 1.014 260 V CA -0.274 61.925 62.300 -0.168 0.000 0.826 260 V CB 1.613 33.249 31.823 -0.312 0.000 1.009 260 V HN 0.427 nan 8.190 nan 0.000 0.431 261 T N 7.704 122.284 114.554 0.044 0.000 2.788 261 T HA 0.407 4.757 4.350 -0.001 0.000 0.296 261 T C -2.664 172.104 174.700 0.113 0.000 1.009 261 T CA -1.341 60.798 62.100 0.066 0.000 0.949 261 T CB 1.737 70.653 68.868 0.081 0.000 0.946 261 T HN 0.322 nan 8.240 nan 0.000 0.453 262 P HA 0.217 nan 4.420 nan 0.000 0.268 262 P C -0.855 176.508 177.300 0.104 0.000 1.205 262 P CA -0.373 62.788 63.100 0.101 0.000 0.771 262 P CB 0.579 32.299 31.700 0.033 0.000 0.858 263 V N 3.023 123.015 119.914 0.131 0.000 2.357 263 V HA 0.144 4.264 4.120 -0.001 0.000 0.284 263 V C 1.145 177.281 176.094 0.070 0.000 1.018 263 V CA 0.162 62.513 62.300 0.086 0.000 0.841 263 V CB 1.093 32.969 31.823 0.090 0.000 0.991 263 V HN 0.659 nan 8.190 nan 0.000 0.437 264 S N 3.594 119.317 115.700 0.038 0.000 2.535 264 S HA 0.383 4.853 4.470 -0.001 0.000 0.214 264 S C 0.236 174.843 174.600 0.011 0.000 0.980 264 S CA -0.108 58.111 58.200 0.031 0.000 0.907 264 S CB 0.255 63.469 63.200 0.024 0.000 0.790 264 S HN 0.645 nan 8.310 nan 0.000 0.510 265 M N 0.965 120.556 119.600 -0.016 0.000 2.365 265 M HA 0.547 5.027 4.480 -0.001 0.000 0.288 265 M C -2.534 173.713 176.300 -0.088 0.000 1.152 265 M CA -0.611 54.656 55.300 -0.056 0.000 0.948 265 M CB 1.866 34.408 32.600 -0.096 0.000 1.729 265 M HN 0.133 nan 8.290 nan 0.000 0.487 266 I N 4.143 124.670 120.570 -0.072 0.000 2.534 266 I HA 0.325 4.494 4.170 -0.001 0.000 0.288 266 I C -0.694 175.362 176.117 -0.102 0.000 1.077 266 I CA -0.524 60.751 61.300 -0.041 0.000 1.051 266 I CB 2.055 40.139 38.000 0.140 0.000 1.234 266 I HN 0.786 nan 8.210 nan 0.000 0.425 267 D N 5.303 125.594 120.400 -0.182 0.000 2.708 267 D HA -0.244 4.395 4.640 -0.001 0.000 0.236 267 D C -0.095 176.161 176.300 -0.073 0.000 1.146 267 D CA 1.235 55.151 54.000 -0.140 0.000 0.662 267 D CB -0.873 39.951 40.800 0.040 0.000 1.059 267 D HN 0.816 nan 8.370 nan 0.000 0.428 268 W N -2.061 119.203 121.300 -0.060 0.000 2.869 268 W HA -0.311 4.348 4.660 -0.001 0.000 0.285 268 W C 0.707 177.162 176.519 -0.106 0.000 1.098 268 W CA 0.374 57.679 57.345 -0.068 0.000 0.571 268 W CB -2.087 27.338 29.460 -0.060 0.000 2.131 268 W HN 0.138 nan 8.180 nan 0.000 1.367 269 R N 1.606 122.072 120.500 -0.058 0.000 2.265 269 R HA 0.299 4.639 4.340 -0.001 0.000 0.328 269 R C -1.992 174.265 176.300 -0.072 0.000 0.969 269 R CA -1.837 54.188 56.100 -0.125 0.000 0.832 269 R CB 0.765 30.831 30.300 -0.391 0.000 1.139 269 R HN -0.252 nan 8.270 nan 0.000 0.457 270 P HA 0.002 nan 4.420 nan 0.000 0.268 270 P C -0.372 176.938 177.300 0.016 0.000 1.204 270 P CA 0.004 63.106 63.100 0.003 0.000 0.768 270 P CB 0.818 32.528 31.700 0.018 0.000 0.842 271 I N 2.612 123.203 120.570 0.034 0.000 2.312 271 I HA 0.241 4.411 4.170 -0.001 0.000 0.291 271 I C 1.711 177.864 176.117 0.062 0.000 1.031 271 I CA 0.536 61.871 61.300 0.060 0.000 1.293 271 I CB -0.393 37.653 38.000 0.076 0.000 1.403 271 I HN 0.763 nan 8.210 nan 0.000 0.484 272 G N 7.796 116.634 108.800 0.064 0.000 2.622 272 G HA2 -0.383 3.576 3.960 -0.001 0.000 0.307 272 G HA3 -0.383 3.576 3.960 -0.001 0.000 0.307 272 G C 0.981 175.911 174.900 0.049 0.000 1.226 272 G CA 0.689 45.827 45.100 0.063 0.000 0.997 272 G HN 0.775 nan 8.290 nan 0.000 0.551 273 K N 1.961 122.390 120.400 0.049 0.000 2.504 273 K HA 0.338 4.657 4.320 -0.001 0.000 0.195 273 K C 1.789 178.410 176.600 0.035 0.000 1.036 273 K CA 1.408 57.718 56.287 0.040 0.000 0.984 273 K CB -0.197 32.327 32.500 0.039 0.000 0.788 273 K HN 2.417 nan 8.250 nan 0.000 0.488 274 G N 0.951 109.773 108.800 0.037 0.000 2.176 274 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.253 274 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.253 274 G C 0.192 175.110 174.900 0.029 0.000 0.979 274 G CA 0.595 45.713 45.100 0.031 0.000 0.641 274 G HN 0.733 nan 8.290 nan 0.000 0.530 275 T N -2.917 111.656 114.554 0.032 0.000 2.812 275 T HA 0.865 5.214 4.350 -0.001 0.000 0.294 275 T C 0.327 175.047 174.700 0.033 0.000 1.159 275 T CA 0.416 62.533 62.100 0.028 0.000 1.008 275 T CB 1.546 70.429 68.868 0.024 0.000 1.289 275 T HN 1.884 nan 8.240 nan 0.000 0.514 276 A N 0.337 123.173 122.820 0.027 0.000 2.565 276 A HA 0.548 4.868 4.320 -0.001 0.000 0.237 276 A C 0.950 178.548 177.584 0.023 0.000 1.053 276 A CA 0.310 52.362 52.037 0.025 0.000 0.755 276 A CB -0.857 18.149 19.000 0.009 0.000 0.980 276 A HN 1.372 nan 8.150 nan 0.000 0.506 277 G N 1.342 110.158 108.800 0.027 0.000 2.502 277 G HA2 0.533 4.492 3.960 -0.001 0.000 0.305 277 G HA3 0.533 4.492 3.960 -0.001 0.000 0.305 277 G C -1.183 173.716 174.900 -0.001 0.000 1.190 277 G CA -0.802 44.315 45.100 0.027 0.000 0.933 277 G HN 0.491 nan 8.290 nan 0.000 0.503 278 P HA -0.098 nan 4.420 nan 0.000 0.217 278 P C 1.949 179.236 177.300 -0.021 0.000 1.150 278 P CA 0.770 63.876 63.100 0.009 0.000 0.832 278 P CB 0.161 31.886 31.700 0.041 0.000 0.787 279 V N 1.353 121.241 119.914 -0.044 0.000 2.237 279 V HA -0.224 3.896 4.120 -0.001 0.000 0.245 279 V C 2.963 178.861 176.094 -0.326 0.000 1.046 279 V CA 2.447 64.646 62.300 -0.168 0.000 1.007 279 V CB -1.838 29.862 31.823 -0.204 0.000 0.638 279 V HN 0.099 nan 8.190 nan 0.000 0.445 280 A N -0.240 122.360 122.820 -0.367 0.000 1.908 280 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 280 A C 2.239 179.589 177.584 -0.391 0.000 1.181 280 A CA 1.981 53.639 52.037 -0.631 0.000 0.627 280 A CB -0.635 18.104 19.000 -0.435 0.000 0.818 280 A HN 0.509 nan 8.150 nan 0.000 0.445 281 L N -1.291 119.811 121.223 -0.202 0.000 2.046 281 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 281 L C 2.832 179.639 176.870 -0.105 0.000 1.077 281 L CA 1.792 56.559 54.840 -0.120 0.000 0.747 281 L CB -0.468 41.556 42.059 -0.058 0.000 0.896 281 L HN 0.471 nan 8.230 nan 0.000 0.432 282 R N 0.570 121.013 120.500 -0.094 0.000 2.075 282 R HA -0.142 4.198 4.340 -0.001 0.000 0.232 282 R C 2.348 178.608 176.300 -0.065 0.000 1.126 282 R CA 1.251 57.329 56.100 -0.037 0.000 0.963 282 R CB -0.176 30.147 30.300 0.039 0.000 0.858 282 R HN 0.300 nan 8.270 nan 0.000 0.435 283 L N 0.264 121.376 121.223 -0.184 0.000 2.083 283 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 283 L C 2.889 179.668 176.870 -0.151 0.000 1.083 283 L CA 1.434 56.148 54.840 -0.210 0.000 0.752 283 L CB -0.494 41.287 42.059 -0.463 0.000 0.899 283 L HN 0.278 nan 8.230 nan 0.000 0.433 284 R N 0.448 120.836 120.500 -0.185 0.000 2.075 284 R HA -0.229 4.111 4.340 -0.001 0.000 0.232 284 R C 2.252 178.552 176.300 0.001 0.000 1.126 284 R CA 1.790 57.834 56.100 -0.093 0.000 0.963 284 R CB -0.055 30.179 30.300 -0.110 0.000 0.858 284 R HN 0.215 nan 8.270 nan 0.000 0.435 285 E N 0.213 120.404 120.200 -0.016 0.000 2.051 285 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 285 E C 1.847 178.457 176.600 0.016 0.000 0.991 285 E CA 1.823 58.226 56.400 0.004 0.000 0.799 285 E CB -0.251 29.452 29.700 0.005 0.000 0.748 285 E HN 0.200 nan 8.360 nan 0.000 0.449 286 V N 0.418 120.353 119.914 0.035 0.000 2.407 286 V HA -0.238 3.882 4.120 -0.001 0.000 0.248 286 V C 2.187 178.303 176.094 0.037 0.000 1.055 286 V CA 2.047 64.386 62.300 0.065 0.000 1.049 286 V CB -0.803 31.084 31.823 0.107 0.000 0.662 286 V HN 0.414 nan 8.190 nan 0.000 0.455 287 Y N 0.439 120.674 120.300 -0.107 0.000 2.181 287 Y HA -0.215 4.335 4.550 -0.000 0.000 0.288 287 Y C 2.236 177.990 175.900 -0.243 0.000 1.146 287 Y CA 1.690 59.679 58.100 -0.184 0.000 1.164 287 Y CB -0.135 38.199 38.460 -0.209 0.000 0.982 287 Y HN 0.137 nan 8.280 nan 0.000 0.515 288 L N 0.036 121.163 121.223 -0.161 0.000 2.141 288 L HA -0.189 4.151 4.340 -0.001 0.000 0.209 288 L C 2.223 178.929 176.870 -0.274 0.000 1.094 288 L CA 1.572 56.245 54.840 -0.278 0.000 0.763 288 L CB -0.478 41.532 42.059 -0.082 0.000 0.908 288 L HN 0.331 nan 8.230 nan 0.000 0.437 289 E N 0.145 120.261 120.200 -0.140 0.000 2.107 289 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 289 E C 2.320 178.877 176.600 -0.071 0.000 0.982 289 E CA 0.990 57.349 56.400 -0.068 0.000 0.809 289 E CB -0.108 29.597 29.700 0.009 0.000 0.756 289 E HN 0.490 nan 8.360 nan 0.000 0.459 290 A N 1.500 124.260 122.820 -0.101 0.000 1.858 290 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 290 A C 2.580 180.086 177.584 -0.130 0.000 1.190 290 A CA 1.726 53.762 52.037 -0.001 0.000 0.617 290 A CB -1.006 17.980 19.000 -0.022 0.000 0.827 290 A HN 0.232 nan 8.150 nan 0.000 0.443 291 V N -1.622 117.952 119.914 -0.567 0.000 2.720 291 V HA -0.117 4.003 4.120 -0.001 0.000 0.256 291 V C 1.959 177.787 176.094 -0.444 0.000 1.082 291 V CA 2.260 64.124 62.300 -0.728 0.000 1.101 291 V CB -1.837 29.004 31.823 -1.636 0.000 0.693 291 V HN 0.691 nan 8.190 nan 0.000 0.479 292 T N -2.723 111.638 114.554 -0.322 0.000 3.188 292 T HA 0.455 4.805 4.350 -0.001 0.000 0.250 292 T C 1.481 176.193 174.700 0.020 0.000 1.077 292 T CA 0.465 62.501 62.100 -0.107 0.000 0.967 292 T CB -0.174 68.647 68.868 -0.079 0.000 1.006 292 T HN 1.621 nan 8.240 nan 0.000 0.552 293 G N 2.126 110.952 108.800 0.043 0.000 2.221 293 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.265 293 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.265 293 G C 0.687 175.660 174.900 0.121 0.000 1.041 293 G CA 0.226 45.417 45.100 0.152 0.000 0.807 293 G HN 0.587 nan 8.290 nan 0.000 0.502 294 R N -0.884 119.660 120.500 0.073 0.000 2.362 294 R HA 0.151 4.491 4.340 -0.001 0.000 0.227 294 R C 0.479 176.815 176.300 0.060 0.000 0.905 294 R CA -0.155 55.979 56.100 0.057 0.000 1.067 294 R CB 0.371 30.691 30.300 0.033 0.000 1.078 294 R HN 0.134 nan 8.270 nan 0.000 0.516 295 R N 0.505 121.059 120.500 0.091 0.000 2.358 295 R HA 0.224 4.563 4.340 -0.001 0.000 0.309 295 R C -2.331 173.980 176.300 0.019 0.000 1.026 295 R CA -2.174 53.972 56.100 0.077 0.000 0.909 295 R CB 1.332 31.770 30.300 0.230 0.000 1.153 295 R HN -0.111 nan 8.270 nan 0.000 0.515 296 P HA -0.221 nan 4.420 nan 0.000 0.216 296 P C 1.152 178.365 177.300 -0.145 0.000 1.150 296 P CA 1.178 64.244 63.100 -0.057 0.000 0.843 296 P CB 0.352 32.015 31.700 -0.061 0.000 0.787 297 E N -0.838 119.188 120.200 -0.292 0.000 2.409 297 E HA -0.192 4.158 4.350 -0.001 0.000 0.198 297 E C 0.630 176.833 176.600 -0.662 0.000 1.024 297 E CA 1.284 57.385 56.400 -0.499 0.000 0.861 297 E CB -0.873 28.421 29.700 -0.677 0.000 0.788 297 E HN 0.441 nan 8.360 nan 0.000 0.521 298 Y N 0.346 120.532 120.300 -0.189 0.000 2.612 298 Y HA 0.230 4.780 4.550 -0.001 0.000 0.250 298 Y C 1.745 177.577 175.900 -0.114 0.000 1.175 298 Y CA -0.571 57.339 58.100 -0.317 0.000 1.205 298 Y CB 0.717 39.070 38.460 -0.178 0.000 1.201 298 Y HN -0.098 nan 8.280 nan 0.000 0.532 299 E N 0.505 120.735 120.200 0.050 0.000 2.160 299 E HA -0.165 4.185 4.350 -0.001 0.000 0.195 299 E C 2.266 178.931 176.600 0.109 0.000 0.991 299 E CA 1.121 57.596 56.400 0.125 0.000 0.810 299 E CB -0.271 29.495 29.700 0.110 0.000 0.742 299 E HN 0.656 nan 8.360 nan 0.000 0.466 300 G N 0.089 108.896 108.800 0.011 0.000 2.479 300 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.220 300 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.220 300 G C 0.955 175.929 174.900 0.123 0.000 1.115 300 G CA 0.270 45.381 45.100 0.019 0.000 0.757 300 G HN 0.241 nan 8.290 nan 0.000 0.560 301 W N -0.234 121.066 121.300 0.000 0.000 2.905 301 W HA 0.405 5.065 4.660 -0.001 0.000 0.251 301 W C 0.101 176.509 176.519 -0.184 0.000 1.305 301 W CA -0.469 56.782 57.345 -0.157 0.000 1.465 301 W CB -0.365 28.970 29.460 -0.208 0.000 1.122 301 W HN -0.032 nan 8.180 nan 0.000 0.659 302 L N 0.029 121.334 121.223 0.135 0.000 2.334 302 L HA 0.357 4.696 4.340 -0.001 0.000 0.275 302 L C 0.433 177.244 176.870 -0.099 0.000 1.036 302 L CA 0.121 54.936 54.840 -0.042 0.000 0.807 302 L CB 1.493 43.421 42.059 -0.218 0.000 1.231 302 L HN -0.427 nan 8.230 nan 0.000 0.438 303 T N 2.145 116.606 114.554 -0.154 0.000 2.934 303 T HA 0.389 4.739 4.350 -0.001 0.000 0.328 303 T C -0.740 173.898 174.700 -0.103 0.000 1.068 303 T CA -0.327 61.735 62.100 -0.064 0.000 1.018 303 T CB -0.150 68.701 68.868 -0.029 0.000 1.009 303 T HN 0.108 nan 8.240 nan 0.000 0.471 304 Y N 2.247 122.575 120.300 0.047 0.000 2.436 304 Y HA 0.151 4.701 4.550 -0.001 0.000 0.336 304 Y C 1.819 177.734 175.900 0.026 0.000 1.049 304 Y CA -0.615 57.510 58.100 0.042 0.000 1.294 304 Y CB 0.545 39.028 38.460 0.038 0.000 1.179 304 Y HN 0.511 nan 8.280 nan 0.000 0.520 305 V N -0.079 119.919 119.914 0.139 0.000 2.626 305 V HA -0.100 4.019 4.120 -0.001 0.000 0.252 305 V C 0.527 176.669 176.094 0.080 0.000 1.067 305 V CA 1.099 63.447 62.300 0.081 0.000 1.081 305 V CB -0.381 31.471 31.823 0.048 0.000 0.686 305 V HN 0.657 nan 8.190 nan 0.000 0.468 306 N N 0.000 118.763 118.700 0.106 0.000 1.763 306 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 306 N CA 0.000 53.089 53.050 0.065 0.000 0.885 306 N CB 0.000 38.518 38.487 0.052 0.000 1.341 306 N HN 0.000 nan 8.380 nan 0.000 0.667