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 3eoo_1_D DATA FIRST_RESID 6 DATA SEQUENCE LISAGAKFRA AVAAEQPLQV VGAITAYAAK MAEAVGFKAV YLSGGGVAAN DATA SEQUENCE SLGIPDLGIS TMDDVLVDAN RITNATNLPL LVDIDTGWGG AFNIARTIRS DATA SEQUENCE FIKAGVGAVH LEDQVGQKRC GHRPGKECVP AGEMVDRIKA AVDARTDETF DATA SEQUENCE VIMARTDAAA AEGIDAAIER AIAYVEAGAD MIFPEAMKTL DDYRRFKEAV DATA SEQUENCE KVPILANLTE FGSTPLFTLD ELKGANVDIA LYCCGAYRAM NKAALNFYET DATA SEQUENCE VRRDGTQKAA VPTMQTRAQL YDYLGYYAYE EKLDQLF 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 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.892 176.870 0.037 0.000 1.165 6 L CA 0.000 54.857 54.840 0.028 0.000 0.813 6 L CB 0.000 42.073 42.059 0.023 0.000 0.961 7 I N 2.287 122.883 120.570 0.043 0.000 2.337 7 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 7 I C 1.252 177.410 176.117 0.068 0.000 1.046 7 I CA 0.224 61.557 61.300 0.054 0.000 1.324 7 I CB 1.291 39.323 38.000 0.054 0.000 1.409 7 I HN 0.523 nan 8.210 nan 0.000 0.494 8 S N 5.330 121.077 115.700 0.077 0.000 2.573 8 S HA 0.222 4.692 4.470 -0.000 0.000 0.277 8 S C 1.504 176.177 174.600 0.122 0.000 1.346 8 S CA 0.059 58.315 58.200 0.094 0.000 1.034 8 S CB 1.130 64.390 63.200 0.100 0.000 0.879 8 S HN 0.728 nan 8.310 nan 0.000 0.528 9 A N 3.831 126.732 122.820 0.135 0.000 1.927 9 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 9 A C 2.241 179.940 177.584 0.192 0.000 1.185 9 A CA 2.243 54.377 52.037 0.162 0.000 0.639 9 A CB -1.926 17.174 19.000 0.167 0.000 0.820 9 A HN 1.275 nan 8.150 nan 0.000 0.451 10 G N -0.794 108.129 108.800 0.206 0.000 2.433 10 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.216 10 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.216 10 G C 1.793 176.810 174.900 0.195 0.000 1.186 10 G CA 1.597 46.815 45.100 0.196 0.000 0.779 10 G HN 0.896 nan 8.290 nan 0.000 0.543 11 A N 0.720 123.635 122.820 0.158 0.000 1.902 11 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 11 A C 2.292 179.952 177.584 0.127 0.000 1.181 11 A CA 2.004 54.118 52.037 0.127 0.000 0.623 11 A CB -0.399 18.660 19.000 0.098 0.000 0.818 11 A HN 0.374 nan 8.150 nan 0.000 0.443 12 K N -1.728 118.755 120.400 0.138 0.000 2.113 12 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 12 K C 1.764 178.457 176.600 0.155 0.000 1.047 12 K CA 1.747 58.112 56.287 0.130 0.000 0.928 12 K CB -0.328 32.255 32.500 0.138 0.000 0.716 12 K HN 0.539 nan 8.250 nan 0.000 0.446 13 F N 1.727 121.708 119.950 0.051 0.000 2.128 13 F HA -0.111 4.416 4.527 -0.001 0.000 0.295 13 F C 2.235 178.052 175.800 0.030 0.000 1.100 13 F CA 1.249 59.273 58.000 0.041 0.000 1.260 13 F CB 0.077 39.097 39.000 0.033 0.000 1.009 13 F HN -0.136 nan 8.300 nan 0.000 0.476 14 R N 0.148 120.757 120.500 0.182 0.000 2.096 14 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 14 R C 2.384 178.679 176.300 -0.008 0.000 1.127 14 R CA 1.195 57.340 56.100 0.075 0.000 0.968 14 R CB -0.921 29.445 30.300 0.109 0.000 0.861 14 R HN 0.382 nan 8.270 nan 0.000 0.440 15 A N 1.353 124.179 122.820 0.010 0.000 1.933 15 A HA -0.084 4.236 4.320 -0.000 0.000 0.218 15 A C 2.367 179.921 177.584 -0.049 0.000 1.175 15 A CA 1.626 53.659 52.037 -0.007 0.000 0.628 15 A CB -0.501 18.510 19.000 0.018 0.000 0.814 15 A HN 0.388 nan 8.150 nan 0.000 0.444 16 A N -0.729 122.036 122.820 -0.093 0.000 1.969 16 A HA 0.090 4.410 4.320 -0.000 0.000 0.218 16 A C 2.176 179.650 177.584 -0.184 0.000 1.169 16 A CA 1.530 53.487 52.037 -0.132 0.000 0.635 16 A CB -0.687 18.218 19.000 -0.159 0.000 0.810 16 A HN 0.334 nan 8.150 nan 0.000 0.445 17 V N -0.199 119.564 119.914 -0.252 0.000 2.358 17 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 17 V C 3.037 179.066 176.094 -0.109 0.000 1.047 17 V CA 1.847 64.021 62.300 -0.211 0.000 1.035 17 V CB -1.059 30.632 31.823 -0.220 0.000 0.658 17 V HN 0.593 nan 8.190 nan 0.000 0.452 18 A N -0.275 122.499 122.820 -0.077 0.000 1.972 18 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 18 A C 2.247 179.806 177.584 -0.040 0.000 1.169 18 A CA 1.973 53.984 52.037 -0.044 0.000 0.635 18 A CB -0.487 18.498 19.000 -0.025 0.000 0.810 18 A HN 0.580 nan 8.150 nan 0.000 0.446 19 A N -1.449 121.343 122.820 -0.047 0.000 2.147 19 A HA 0.291 4.610 4.320 -0.000 0.000 0.211 19 A C 0.771 178.332 177.584 -0.038 0.000 1.160 19 A CA 0.765 52.780 52.037 -0.036 0.000 0.781 19 A CB 0.019 19.001 19.000 -0.030 0.000 0.842 19 A HN 0.524 nan 8.150 nan 0.000 0.475 20 E N 1.010 121.181 120.200 -0.049 0.000 2.281 20 E HA 0.325 4.675 4.350 -0.000 0.000 0.266 20 E C -1.425 175.145 176.600 -0.049 0.000 0.893 20 E CA -0.598 55.777 56.400 -0.043 0.000 0.798 20 E CB 0.677 30.355 29.700 -0.036 0.000 1.245 20 E HN 0.442 nan 8.360 nan 0.000 0.410 21 Q N 4.514 124.290 119.800 -0.041 0.000 2.292 21 Q HA 0.520 4.860 4.340 -0.000 0.000 0.270 21 Q C -2.682 173.293 176.000 -0.042 0.000 1.024 21 Q CA -2.228 53.548 55.803 -0.046 0.000 0.768 21 Q CB 2.157 30.868 28.738 -0.045 0.000 1.250 21 Q HN 0.305 nan 8.270 nan 0.000 0.447 22 P HA 0.116 nan 4.420 nan 0.000 0.274 22 P C -0.619 176.654 177.300 -0.044 0.000 1.237 22 P CA -0.674 62.387 63.100 -0.064 0.000 0.793 22 P CB 0.702 32.347 31.700 -0.090 0.000 0.977 23 L N 1.688 122.873 121.223 -0.063 0.000 2.281 23 L HA 0.201 4.540 4.340 -0.000 0.000 0.285 23 L C 0.141 177.021 176.870 0.016 0.000 1.074 23 L CA 0.152 54.967 54.840 -0.042 0.000 0.817 23 L CB -0.054 41.934 42.059 -0.118 0.000 1.168 23 L HN 0.260 nan 8.230 nan 0.000 0.434 24 Q N 3.845 123.724 119.800 0.132 0.000 2.288 24 Q HA 0.435 4.775 4.340 -0.000 0.000 0.258 24 Q C -1.026 175.124 176.000 0.251 0.000 0.957 24 Q CA -0.186 55.796 55.803 0.298 0.000 0.919 24 Q CB 1.893 30.933 28.738 0.503 0.000 1.185 24 Q HN 0.624 nan 8.270 nan 0.000 0.408 25 V N 4.339 124.343 119.914 0.149 0.000 2.482 25 V HA 0.528 4.647 4.120 -0.000 0.000 0.295 25 V C -0.818 175.280 176.094 0.007 0.000 1.026 25 V CA -0.674 61.662 62.300 0.060 0.000 0.856 25 V CB 1.679 33.556 31.823 0.089 0.000 1.001 25 V HN 0.548 nan 8.190 nan 0.000 0.424 26 V N 4.140 123.953 119.914 -0.168 0.000 2.547 26 V HA 0.956 5.076 4.120 -0.000 0.000 0.299 26 V C 0.742 176.835 176.094 -0.002 0.000 1.040 26 V CA -0.018 62.164 62.300 -0.197 0.000 0.913 26 V CB 1.229 32.649 31.823 -0.670 0.000 0.992 26 V HN 1.069 nan 8.190 nan 0.000 0.449 27 G N 2.189 111.054 108.800 0.108 0.000 2.432 27 G HA2 0.619 4.579 3.960 -0.000 0.000 0.257 27 G HA3 0.619 4.579 3.960 -0.000 0.000 0.257 27 G C -0.207 174.764 174.900 0.120 0.000 1.238 27 G CA -0.015 45.231 45.100 0.242 0.000 0.838 27 G HN 1.685 nan 8.290 nan 0.000 0.547 28 A N 1.802 124.690 122.820 0.113 0.000 2.359 28 A HA 0.547 4.867 4.320 -0.000 0.000 0.303 28 A C 0.784 178.420 177.584 0.087 0.000 1.066 28 A CA -0.693 51.388 52.037 0.074 0.000 0.730 28 A CB 1.039 20.059 19.000 0.032 0.000 1.211 28 A HN 1.132 nan 8.150 nan 0.000 0.439 29 I N 0.335 120.966 120.570 0.102 0.000 3.226 29 I HA 0.195 4.365 4.170 -0.000 0.000 0.277 29 I C 0.687 176.833 176.117 0.048 0.000 1.243 29 I CA 0.928 62.269 61.300 0.069 0.000 1.459 29 I CB -0.040 37.990 38.000 0.050 0.000 1.093 29 I HN 0.525 nan 8.210 nan 0.000 0.453 30 T N -3.303 111.287 114.554 0.061 0.000 2.883 30 T HA 0.724 5.074 4.350 -0.000 0.000 0.296 30 T C 0.837 175.584 174.700 0.079 0.000 1.117 30 T CA -0.275 61.867 62.100 0.071 0.000 1.006 30 T CB 1.997 70.922 68.868 0.095 0.000 1.191 30 T HN 0.010 nan 8.240 nan 0.000 0.508 31 A N 0.559 123.436 122.820 0.094 0.000 1.883 31 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 31 A C 1.969 179.637 177.584 0.139 0.000 1.186 31 A CA 1.925 54.025 52.037 0.106 0.000 0.624 31 A CB -1.491 17.574 19.000 0.107 0.000 0.822 31 A HN 0.952 nan 8.150 nan 0.000 0.444 32 Y N 0.696 121.023 120.300 0.046 0.000 2.145 32 Y HA -0.103 4.447 4.550 -0.000 0.000 0.286 32 Y C 2.703 178.621 175.900 0.031 0.000 1.145 32 Y CA 1.021 59.150 58.100 0.049 0.000 1.148 32 Y CB -0.888 37.602 38.460 0.050 0.000 0.981 32 Y HN 0.327 nan 8.280 nan 0.000 0.507 33 A N 0.641 123.394 122.820 -0.113 0.000 1.903 33 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 33 A C 2.504 179.988 177.584 -0.167 0.000 1.191 33 A CA 2.655 54.585 52.037 -0.178 0.000 0.638 33 A CB -1.618 17.363 19.000 -0.031 0.000 0.823 33 A HN 0.630 nan 8.150 nan 0.000 0.451 34 A N -0.765 122.015 122.820 -0.066 0.000 1.933 34 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 34 A C 2.123 179.682 177.584 -0.040 0.000 1.175 34 A CA 1.794 53.815 52.037 -0.027 0.000 0.628 34 A CB -0.428 18.589 19.000 0.027 0.000 0.814 34 A HN 0.548 nan 8.150 nan 0.000 0.444 35 K N -0.955 119.409 120.400 -0.061 0.000 2.063 35 K HA -0.120 4.199 4.320 -0.000 0.000 0.208 35 K C 2.124 178.644 176.600 -0.134 0.000 1.048 35 K CA 1.681 57.950 56.287 -0.029 0.000 0.928 35 K CB -0.295 32.251 32.500 0.076 0.000 0.713 35 K HN 0.540 nan 8.250 nan 0.000 0.442 36 M N 0.140 119.520 119.600 -0.366 0.000 2.067 36 M HA -0.175 4.305 4.480 -0.000 0.000 0.260 36 M C 2.489 178.672 176.300 -0.196 0.000 1.069 36 M CA 1.668 56.693 55.300 -0.458 0.000 1.117 36 M CB -0.521 31.736 32.600 -0.572 0.000 1.334 36 M HN 0.184 nan 8.290 nan 0.000 0.407 37 A N 0.119 122.880 122.820 -0.097 0.000 1.927 37 A HA -0.277 4.042 4.320 -0.000 0.000 0.220 37 A C 1.998 179.692 177.584 0.183 0.000 1.185 37 A CA 2.351 54.435 52.037 0.078 0.000 0.639 37 A CB -0.986 18.006 19.000 -0.013 0.000 0.820 37 A HN 0.631 nan 8.150 nan 0.000 0.451 38 E N -0.547 119.707 120.200 0.090 0.000 2.072 38 E HA -0.058 4.291 4.350 -0.000 0.000 0.191 38 E C 2.204 178.856 176.600 0.086 0.000 0.985 38 E CA 0.838 57.303 56.400 0.107 0.000 0.801 38 E CB -0.244 29.511 29.700 0.090 0.000 0.750 38 E HN 0.560 nan 8.360 nan 0.000 0.452 39 A N 0.595 123.453 122.820 0.063 0.000 1.908 39 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 39 A C 2.322 179.945 177.584 0.066 0.000 1.181 39 A CA 1.400 53.501 52.037 0.106 0.000 0.627 39 A CB -0.595 18.487 19.000 0.137 0.000 0.818 39 A HN 0.227 nan 8.150 nan 0.000 0.445 40 V N -1.112 118.812 119.914 0.015 0.000 2.913 40 V HA 0.143 4.263 4.120 -0.000 0.000 0.260 40 V C 1.865 177.875 176.094 -0.140 0.000 1.098 40 V CA 1.486 63.765 62.300 -0.034 0.000 1.121 40 V CB -0.680 31.141 31.823 -0.003 0.000 0.714 40 V HN 1.159 nan 8.190 nan 0.000 0.487 41 G N -1.243 107.507 108.800 -0.083 0.000 2.175 41 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.182 41 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.182 41 G C -0.063 174.744 174.900 -0.156 0.000 1.003 41 G CA -0.460 44.564 45.100 -0.128 0.000 0.666 41 G HN 0.324 nan 8.290 nan 0.000 0.506 42 F N 0.969 120.914 119.950 -0.008 0.000 2.496 42 F HA 0.440 4.967 4.527 -0.000 0.000 0.344 42 F C 1.779 177.587 175.800 0.013 0.000 1.155 42 F CA 0.521 58.521 58.000 0.001 0.000 1.302 42 F CB 0.779 39.783 39.000 0.006 0.000 1.159 42 F HN -0.091 nan 8.300 nan 0.000 0.595 43 K N 1.194 121.728 120.400 0.223 0.000 2.361 43 K HA 0.469 4.789 4.320 -0.000 0.000 0.194 43 K C -0.151 176.526 176.600 0.128 0.000 1.032 43 K CA 0.254 56.614 56.287 0.122 0.000 1.048 43 K CB 0.442 32.972 32.500 0.050 0.000 0.842 43 K HN 0.612 nan 8.250 nan 0.000 0.526 44 A N 0.619 123.540 122.820 0.168 0.000 2.604 44 A HA 0.565 4.885 4.320 -0.000 0.000 0.295 44 A C -1.090 176.592 177.584 0.165 0.000 1.067 44 A CA -0.816 51.334 52.037 0.188 0.000 0.683 44 A CB 1.323 20.443 19.000 0.200 0.000 1.281 44 A HN -0.066 nan 8.150 nan 0.000 0.407 45 V N -1.454 118.572 119.914 0.187 0.000 3.074 45 V HA 0.895 5.015 4.120 -0.000 0.000 0.314 45 V C -0.867 175.367 176.094 0.233 0.000 1.117 45 V CA -0.922 61.467 62.300 0.148 0.000 1.014 45 V CB 1.587 33.470 31.823 0.099 0.000 1.057 45 V HN 1.396 nan 8.190 nan 0.000 0.438 46 Y N 2.069 122.405 120.300 0.060 0.000 2.425 46 Y HA 0.786 5.336 4.550 -0.000 0.000 0.344 46 Y C -1.182 174.766 175.900 0.081 0.000 0.969 46 Y CA -1.317 56.830 58.100 0.078 0.000 1.052 46 Y CB 2.135 40.648 38.460 0.089 0.000 1.215 46 Y HN 0.843 nan 8.280 nan 0.000 0.451 47 L N 6.201 127.092 121.223 -0.553 0.000 2.277 47 L HA 0.481 4.820 4.340 -0.000 0.000 0.284 47 L C -0.413 175.953 176.870 -0.840 0.000 1.028 47 L CA -0.124 54.437 54.840 -0.465 0.000 0.835 47 L CB 0.773 42.711 42.059 -0.202 0.000 1.215 47 L HN 0.646 nan 8.230 nan 0.000 0.425 48 S N 3.048 118.441 115.700 -0.511 0.000 2.528 48 S HA 0.405 4.874 4.470 -0.000 0.000 0.277 48 S C 1.441 176.031 174.600 -0.018 0.000 1.297 48 S CA 0.068 58.174 58.200 -0.156 0.000 1.052 48 S CB 1.186 64.596 63.200 0.349 0.000 0.917 48 S HN 0.895 nan 8.310 nan 0.000 0.492 49 G N 3.977 112.800 108.800 0.038 0.000 2.459 49 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.217 49 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.217 49 G C 1.382 176.332 174.900 0.084 0.000 1.183 49 G CA 0.656 45.793 45.100 0.062 0.000 0.776 49 G HN 0.987 nan 8.290 nan 0.000 0.552 50 G N 0.608 109.477 108.800 0.115 0.000 2.448 50 G HA2 0.105 4.065 3.960 -0.000 0.000 0.219 50 G HA3 0.105 4.065 3.960 -0.000 0.000 0.219 50 G C 1.698 176.633 174.900 0.058 0.000 1.127 50 G CA 1.336 46.498 45.100 0.104 0.000 0.766 50 G HN 0.614 nan 8.290 nan 0.000 0.552 51 G N 0.649 109.496 108.800 0.077 0.000 2.421 51 G HA2 -0.167 3.792 3.960 -0.000 0.000 0.216 51 G HA3 -0.167 3.792 3.960 -0.000 0.000 0.216 51 G C 1.775 176.597 174.900 -0.131 0.000 1.171 51 G CA 1.180 46.234 45.100 -0.076 0.000 0.775 51 G HN 0.287 nan 8.290 nan 0.000 0.543 52 V N 1.673 121.566 119.914 -0.034 0.000 2.287 52 V HA -0.195 3.924 4.120 -0.000 0.000 0.248 52 V C 3.348 179.428 176.094 -0.024 0.000 1.053 52 V CA 2.280 64.569 62.300 -0.018 0.000 1.027 52 V CB -0.983 30.859 31.823 0.032 0.000 0.646 52 V HN 0.497 nan 8.190 nan 0.000 0.447 53 A N -0.272 122.546 122.820 -0.002 0.000 1.858 53 A HA -0.095 4.224 4.320 -0.000 0.000 0.216 53 A C 2.393 179.962 177.584 -0.025 0.000 1.190 53 A CA 2.281 54.323 52.037 0.008 0.000 0.617 53 A CB -0.864 18.157 19.000 0.035 0.000 0.827 53 A HN 0.579 nan 8.150 nan 0.000 0.443 54 A N -0.178 122.605 122.820 -0.062 0.000 1.872 54 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 54 A C 2.012 179.530 177.584 -0.110 0.000 1.187 54 A CA 1.523 53.512 52.037 -0.081 0.000 0.614 54 A CB -0.498 18.446 19.000 -0.092 0.000 0.826 54 A HN 0.582 nan 8.150 nan 0.000 0.442 55 N N -0.072 118.517 118.700 -0.184 0.000 2.132 55 N HA -0.056 4.684 4.740 -0.000 0.000 0.187 55 N C 2.005 177.474 175.510 -0.068 0.000 1.038 55 N CA 1.553 54.515 53.050 -0.147 0.000 0.846 55 N CB -0.411 37.944 38.487 -0.220 0.000 1.012 55 N HN 0.365 nan 8.380 nan 0.000 0.429 56 S N 1.111 116.776 115.700 -0.059 0.000 2.383 56 S HA 0.105 4.575 4.470 -0.000 0.000 0.227 56 S C 2.063 176.652 174.600 -0.018 0.000 1.026 56 S CA 0.743 58.927 58.200 -0.027 0.000 0.981 56 S CB 0.031 63.219 63.200 -0.020 0.000 0.818 56 S HN 0.218 nan 8.310 nan 0.000 0.472 57 L N -0.505 120.706 121.223 -0.019 0.000 2.470 57 L HA 0.306 4.646 4.340 -0.000 0.000 0.219 57 L C 1.490 178.355 176.870 -0.007 0.000 1.071 57 L CA 0.424 55.259 54.840 -0.008 0.000 0.850 57 L CB -0.279 41.781 42.059 0.001 0.000 1.040 57 L HN 0.463 nan 8.230 nan 0.000 0.475 58 G N 2.232 111.025 108.800 -0.013 0.000 2.182 58 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.248 58 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.248 58 G C -0.001 174.898 174.900 -0.001 0.000 1.042 58 G CA 0.536 45.631 45.100 -0.008 0.000 0.775 58 G HN 0.470 nan 8.290 nan 0.000 0.501 59 I N -3.332 117.239 120.570 0.001 0.000 2.894 59 I HA 0.810 4.980 4.170 -0.000 0.000 0.302 59 I C -2.399 173.727 176.117 0.014 0.000 1.188 59 I CA -3.185 58.121 61.300 0.010 0.000 1.014 59 I CB 2.384 40.393 38.000 0.015 0.000 1.242 59 I HN -0.080 nan 8.210 nan 0.000 0.430 60 P HA 0.013 nan 4.420 nan 0.000 0.271 60 P C -0.679 176.642 177.300 0.035 0.000 1.233 60 P CA 0.066 63.182 63.100 0.027 0.000 0.789 60 P CB 0.499 32.214 31.700 0.026 0.000 0.951 61 D N 1.364 121.789 120.400 0.042 0.000 2.671 61 D HA 0.085 4.724 4.640 -0.000 0.000 0.228 61 D C -0.198 176.127 176.300 0.041 0.000 1.102 61 D CA 0.044 54.073 54.000 0.048 0.000 1.044 61 D CB -0.967 39.869 40.800 0.059 0.000 1.113 61 D HN -0.004 nan 8.370 nan 0.000 0.480 62 L N 0.931 122.179 121.223 0.042 0.000 3.094 62 L HA 0.331 4.670 4.340 -0.000 0.000 0.254 62 L C 1.583 178.477 176.870 0.041 0.000 1.298 62 L CA -0.379 54.484 54.840 0.039 0.000 1.050 62 L CB 0.034 42.116 42.059 0.038 0.000 1.420 62 L HN 0.426 nan 8.230 nan 0.000 0.548 63 G N 0.170 108.995 108.800 0.041 0.000 2.283 63 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.280 63 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.280 63 G C 1.092 176.047 174.900 0.090 0.000 1.029 63 G CA 1.022 46.152 45.100 0.049 0.000 0.840 63 G HN 0.478 nan 8.290 nan 0.000 0.505 64 I N 0.141 120.765 120.570 0.091 0.000 2.494 64 I HA 0.092 4.262 4.170 -0.000 0.000 0.250 64 I C 1.973 178.163 176.117 0.122 0.000 1.112 64 I CA 0.709 62.065 61.300 0.092 0.000 1.438 64 I CB -0.289 37.748 38.000 0.061 0.000 1.111 64 I HN 0.294 nan 8.210 nan 0.000 0.431 65 S N 1.782 117.563 115.700 0.135 0.000 3.332 65 S HA -0.096 4.374 4.470 -0.000 0.000 0.395 65 S C 0.412 175.188 174.600 0.294 0.000 1.180 65 S CA 0.401 58.709 58.200 0.180 0.000 0.985 65 S CB -0.379 62.946 63.200 0.209 0.000 0.694 65 S HN 0.478 nan 8.310 nan 0.000 0.502 66 T N 3.530 118.136 114.554 0.087 0.000 2.944 66 T HA 0.374 4.724 4.350 -0.000 0.000 0.284 66 T C 1.439 175.708 174.700 -0.718 0.000 1.010 66 T CA -0.654 61.333 62.100 -0.188 0.000 1.025 66 T CB 1.086 69.844 68.868 -0.183 0.000 1.079 66 T HN 0.716 nan 8.240 nan 0.000 0.516 67 M N 0.582 119.223 119.600 -1.598 0.000 2.195 67 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 67 M C 0.854 176.745 176.300 -0.681 0.000 1.066 67 M CA 2.315 56.609 55.300 -1.677 0.000 1.089 67 M CB -0.721 31.188 32.600 -1.153 0.000 1.377 67 M HN 0.788 nan 8.290 nan 0.000 0.411 68 D N 0.315 120.445 120.400 -0.450 0.000 2.194 68 D HA -0.131 4.509 4.640 -0.000 0.000 0.204 68 D C 1.528 177.713 176.300 -0.192 0.000 0.964 68 D CA 1.141 54.976 54.000 -0.275 0.000 0.846 68 D CB -0.148 40.531 40.800 -0.202 0.000 0.962 68 D HN 0.408 nan 8.370 nan 0.000 0.490 69 D N 0.394 120.695 120.400 -0.165 0.000 2.092 69 D HA -0.116 4.524 4.640 -0.000 0.000 0.193 69 D C 2.272 178.547 176.300 -0.041 0.000 0.994 69 D CA 0.787 54.740 54.000 -0.077 0.000 0.828 69 D CB -0.340 40.440 40.800 -0.033 0.000 0.963 69 D HN 0.093 nan 8.370 nan 0.000 0.450 70 V N 1.649 121.552 119.914 -0.017 0.000 2.343 70 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 70 V C 2.709 178.861 176.094 0.097 0.000 1.051 70 V CA 0.917 63.281 62.300 0.107 0.000 1.036 70 V CB -0.412 31.580 31.823 0.281 0.000 0.654 70 V HN 0.240 nan 8.190 nan 0.000 0.451 71 L N 0.371 121.551 121.223 -0.072 0.000 2.013 71 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 71 L C 2.729 179.516 176.870 -0.138 0.000 1.073 71 L CA 2.476 57.161 54.840 -0.258 0.000 0.753 71 L CB -0.610 41.217 42.059 -0.387 0.000 0.890 71 L HN 0.497 nan 8.230 nan 0.000 0.432 72 V N -1.898 117.958 119.914 -0.096 0.000 2.427 72 V HA -0.232 3.887 4.120 -0.000 0.000 0.248 72 V C 1.971 178.049 176.094 -0.028 0.000 1.051 72 V CA 2.099 64.360 62.300 -0.065 0.000 1.048 72 V CB -0.472 31.317 31.823 -0.057 0.000 0.666 72 V HN 0.331 nan 8.190 nan 0.000 0.456 73 D N 1.256 121.652 120.400 -0.006 0.000 2.117 73 D HA -0.032 4.608 4.640 -0.000 0.000 0.198 73 D C 2.349 178.668 176.300 0.032 0.000 0.982 73 D CA 1.983 55.993 54.000 0.016 0.000 0.828 73 D CB -0.541 40.272 40.800 0.021 0.000 0.967 73 D HN 0.609 nan 8.370 nan 0.000 0.464 74 A N 0.917 123.770 122.820 0.055 0.000 1.908 74 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 74 A C 2.043 179.654 177.584 0.045 0.000 1.181 74 A CA 1.389 53.479 52.037 0.090 0.000 0.627 74 A CB -0.572 18.554 19.000 0.210 0.000 0.818 74 A HN 0.170 nan 8.150 nan 0.000 0.445 75 N N -0.478 118.220 118.700 -0.004 0.000 2.058 75 N HA -0.158 4.582 4.740 -0.000 0.000 0.191 75 N C 1.981 177.498 175.510 0.011 0.000 1.037 75 N CA 1.527 54.569 53.050 -0.014 0.000 0.848 75 N CB -0.260 38.199 38.487 -0.047 0.000 1.021 75 N HN 0.479 nan 8.380 nan 0.000 0.422 76 R N 0.647 121.156 120.500 0.014 0.000 2.091 76 R HA -0.042 4.298 4.340 -0.000 0.000 0.238 76 R C 2.327 178.655 176.300 0.047 0.000 1.136 76 R CA 1.048 57.166 56.100 0.029 0.000 0.959 76 R CB -0.228 30.090 30.300 0.029 0.000 0.856 76 R HN 0.283 nan 8.270 nan 0.000 0.437 77 I N -0.154 120.446 120.570 0.050 0.000 2.233 77 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 77 I C 2.461 178.618 176.117 0.066 0.000 1.093 77 I CA 1.636 62.972 61.300 0.060 0.000 1.380 77 I CB -0.493 37.541 38.000 0.057 0.000 1.067 77 I HN 0.329 nan 8.210 nan 0.000 0.413 78 T N -2.027 112.565 114.554 0.063 0.000 3.035 78 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 78 T C 1.592 176.328 174.700 0.059 0.000 1.109 78 T CA 0.836 62.977 62.100 0.068 0.000 1.119 78 T CB -0.380 68.531 68.868 0.072 0.000 0.900 78 T HN 0.165 nan 8.240 nan 0.000 0.503 79 N N 1.854 120.585 118.700 0.051 0.000 2.331 79 N HA 0.180 4.920 4.740 -0.000 0.000 0.180 79 N C 1.806 177.355 175.510 0.065 0.000 1.019 79 N CA 1.213 54.293 53.050 0.050 0.000 0.881 79 N CB -0.312 38.200 38.487 0.042 0.000 0.972 79 N HN 0.678 nan 8.380 nan 0.000 0.435 80 A N -1.180 121.685 122.820 0.075 0.000 2.167 80 A HA 0.158 4.478 4.320 -0.000 0.000 0.208 80 A C 1.118 178.760 177.584 0.096 0.000 1.198 80 A CA 0.382 52.475 52.037 0.094 0.000 0.863 80 A CB 0.269 19.334 19.000 0.107 0.000 0.904 80 A HN 0.219 nan 8.150 nan 0.000 0.484 81 T N -0.879 113.726 114.554 0.084 0.000 2.916 81 T HA 0.350 4.699 4.350 -0.000 0.000 0.292 81 T C -0.062 174.686 174.700 0.079 0.000 1.064 81 T CA -0.349 61.801 62.100 0.084 0.000 1.011 81 T CB 0.917 69.835 68.868 0.083 0.000 1.152 81 T HN 0.318 nan 8.240 nan 0.000 0.510 82 N N 2.030 120.777 118.700 0.079 0.000 2.205 82 N HA 0.167 4.906 4.740 -0.000 0.000 0.201 82 N C 0.126 175.690 175.510 0.090 0.000 1.128 82 N CA -0.196 52.900 53.050 0.077 0.000 0.867 82 N CB 0.573 39.098 38.487 0.064 0.000 0.996 82 N HN 0.396 nan 8.380 nan 0.000 0.503 83 L N 2.393 123.676 121.223 0.101 0.000 2.417 83 L HA 0.322 4.662 4.340 -0.000 0.000 0.268 83 L C -1.953 175.004 176.870 0.146 0.000 1.158 83 L CA -1.754 53.159 54.840 0.122 0.000 0.819 83 L CB 0.197 42.333 42.059 0.129 0.000 1.112 83 L HN -0.144 nan 8.230 nan 0.000 0.458 84 P HA 0.149 nan 4.420 nan 0.000 0.275 84 P C -1.002 176.439 177.300 0.236 0.000 1.228 84 P CA -0.407 62.831 63.100 0.230 0.000 0.786 84 P CB 1.354 33.260 31.700 0.343 0.000 0.927 85 L N 3.817 125.132 121.223 0.154 0.000 2.329 85 L HA 0.568 4.908 4.340 -0.000 0.000 0.279 85 L C -1.124 175.753 176.870 0.011 0.000 1.014 85 L CA -0.984 53.924 54.840 0.114 0.000 0.814 85 L CB 1.479 43.595 42.059 0.095 0.000 1.257 85 L HN 0.200 nan 8.230 nan 0.000 0.424 86 L N 5.856 127.102 121.223 0.038 0.000 2.307 86 L HA 0.762 5.101 4.340 -0.000 0.000 0.284 86 L C -1.269 175.571 176.870 -0.050 0.000 1.023 86 L CA -0.214 54.605 54.840 -0.036 0.000 0.810 86 L CB 1.799 43.938 42.059 0.132 0.000 1.231 86 L HN 0.434 nan 8.230 nan 0.000 0.423 87 V N 3.801 123.613 119.914 -0.169 0.000 2.540 87 V HA 0.328 4.448 4.120 -0.000 0.000 0.302 87 V C -0.874 174.938 176.094 -0.471 0.000 1.035 87 V CA -0.730 61.382 62.300 -0.313 0.000 0.873 87 V CB 1.802 33.453 31.823 -0.287 0.000 0.992 87 V HN 0.842 nan 8.190 nan 0.000 0.428 88 D N 4.346 124.430 120.400 -0.527 0.000 2.339 88 D HA 0.199 4.838 4.640 -0.000 0.000 0.256 88 D C 0.670 176.702 176.300 -0.446 0.000 1.214 88 D CA -0.081 53.509 54.000 -0.683 0.000 0.877 88 D CB 0.732 41.426 40.800 -0.178 0.000 1.111 88 D HN 0.593 nan 8.370 nan 0.000 0.478 89 I N -0.212 120.046 120.570 -0.519 0.000 3.877 89 I HA 0.251 4.421 4.170 -0.000 0.000 0.332 89 I C 0.106 175.776 176.117 -0.745 0.000 1.525 89 I CA -0.656 60.356 61.300 -0.480 0.000 1.146 89 I CB -0.124 37.671 38.000 -0.341 0.000 1.137 89 I HN 0.195 nan 8.210 nan 0.000 0.424 90 D N 2.550 122.639 120.400 -0.519 0.000 3.750 90 D HA -0.347 4.292 4.640 -0.000 0.000 0.149 90 D C 1.301 177.356 176.300 -0.408 0.000 0.867 90 D CA 3.085 56.816 54.000 -0.448 0.000 1.010 90 D CB -0.799 39.654 40.800 -0.578 0.000 0.462 90 D HN 0.564 nan 8.370 nan 0.000 0.436 91 T N -2.148 112.124 114.554 -0.470 0.000 3.086 91 T HA 0.446 4.795 4.350 -0.000 0.000 0.250 91 T C 1.379 175.907 174.700 -0.286 0.000 1.074 91 T CA 1.220 63.133 62.100 -0.313 0.000 0.988 91 T CB 0.623 69.344 68.868 -0.245 0.000 0.988 91 T HN 1.128 nan 8.240 nan 0.000 0.530 92 G N 0.842 109.390 108.800 -0.420 0.000 2.176 92 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.232 92 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.232 92 G C 0.292 175.279 174.900 0.144 0.000 0.986 92 G CA -0.226 44.800 45.100 -0.123 0.000 0.643 92 G HN 0.486 nan 8.290 nan 0.000 0.522 93 W N -0.817 120.485 121.300 0.004 0.000 4.949 93 W HA -0.009 4.651 4.660 -0.000 0.000 0.380 93 W C 1.099 177.626 176.519 0.014 0.000 1.446 93 W CA 1.474 58.828 57.345 0.015 0.000 0.869 93 W CB -1.960 27.521 29.460 0.035 0.000 2.591 93 W HN 2.019 nan 8.180 nan 0.000 1.398 94 G N -1.022 107.847 108.800 0.116 0.000 2.293 94 G HA2 0.370 4.329 3.960 -0.000 0.000 0.282 94 G HA3 0.370 4.329 3.960 -0.000 0.000 0.282 94 G C 0.213 175.126 174.900 0.022 0.000 1.299 94 G CA -0.180 44.967 45.100 0.077 0.000 1.018 94 G HN 0.667 nan 8.290 nan 0.000 0.478 95 G N -0.864 107.938 108.800 0.003 0.000 2.525 95 G HA2 0.589 4.549 3.960 -0.000 0.000 0.276 95 G HA3 0.589 4.549 3.960 -0.000 0.000 0.276 95 G C 1.622 176.456 174.900 -0.109 0.000 1.388 95 G CA 1.262 46.316 45.100 -0.077 0.000 1.050 95 G HN 1.925 nan 8.290 nan 0.000 0.520 96 A N -1.241 121.418 122.820 -0.267 0.000 1.972 96 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 96 A C 2.033 179.541 177.584 -0.128 0.000 1.169 96 A CA 1.486 53.370 52.037 -0.254 0.000 0.635 96 A CB -0.459 18.318 19.000 -0.371 0.000 0.810 96 A HN 0.431 nan 8.150 nan 0.000 0.446 97 F N 0.557 120.524 119.950 0.029 0.000 2.259 97 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 97 F C 2.193 178.019 175.800 0.044 0.000 1.088 97 F CA 0.770 58.788 58.000 0.030 0.000 1.358 97 F CB -0.890 38.124 39.000 0.023 0.000 1.040 97 F HN 0.341 nan 8.300 nan 0.000 0.505 98 N N 0.270 119.094 118.700 0.208 0.000 2.290 98 N HA -0.028 4.712 4.740 -0.000 0.000 0.179 98 N C 1.988 177.602 175.510 0.173 0.000 1.016 98 N CA 0.807 53.963 53.050 0.177 0.000 0.871 98 N CB -0.057 38.530 38.487 0.167 0.000 0.987 98 N HN 0.220 nan 8.380 nan 0.000 0.431 99 I N 1.839 122.487 120.570 0.130 0.000 2.208 99 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 99 I C 2.604 178.800 176.117 0.132 0.000 1.097 99 I CA 0.897 62.266 61.300 0.116 0.000 1.363 99 I CB -0.293 37.733 38.000 0.045 0.000 1.051 99 I HN 0.117 nan 8.210 nan 0.000 0.413 100 A N 0.705 123.602 122.820 0.129 0.000 1.858 100 A HA -0.265 4.055 4.320 -0.000 0.000 0.216 100 A C 2.395 180.046 177.584 0.113 0.000 1.190 100 A CA 1.956 54.067 52.037 0.123 0.000 0.617 100 A CB -0.675 18.413 19.000 0.146 0.000 0.827 100 A HN 0.341 nan 8.150 nan 0.000 0.443 101 R N -0.832 119.740 120.500 0.120 0.000 2.091 101 R HA -0.131 4.208 4.340 -0.000 0.000 0.238 101 R C 2.211 178.575 176.300 0.107 0.000 1.136 101 R CA 2.222 58.373 56.100 0.086 0.000 0.959 101 R CB -0.724 29.622 30.300 0.076 0.000 0.856 101 R HN 0.507 nan 8.270 nan 0.000 0.437 102 T N 1.535 116.201 114.554 0.187 0.000 2.622 102 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 102 T C 1.775 176.679 174.700 0.340 0.000 1.047 102 T CA 1.534 63.828 62.100 0.322 0.000 1.159 102 T CB -0.165 68.953 68.868 0.416 0.000 0.863 102 T HN 0.115 nan 8.240 nan 0.000 0.422 103 I N 1.242 121.948 120.570 0.227 0.000 2.151 103 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 103 I C 2.592 178.722 176.117 0.022 0.000 1.080 103 I CA 1.582 62.983 61.300 0.168 0.000 1.339 103 I CB -1.030 37.051 38.000 0.136 0.000 1.039 103 I HN 0.254 nan 8.210 nan 0.000 0.409 104 R N 0.169 120.675 120.500 0.010 0.000 2.081 104 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 104 R C 2.517 178.772 176.300 -0.075 0.000 1.131 104 R CA 1.690 57.755 56.100 -0.058 0.000 0.960 104 R CB -0.202 30.079 30.300 -0.032 0.000 0.856 104 R HN 0.299 nan 8.270 nan 0.000 0.436 105 S N 0.238 115.911 115.700 -0.044 0.000 2.368 105 S HA -0.089 4.381 4.470 -0.000 0.000 0.225 105 S C 1.563 176.031 174.600 -0.221 0.000 1.030 105 S CA 1.221 59.330 58.200 -0.152 0.000 0.999 105 S CB -0.192 62.879 63.200 -0.216 0.000 0.844 105 S HN 0.201 nan 8.310 nan 0.000 0.459 106 F N 1.232 121.154 119.950 -0.048 0.000 2.367 106 F HA 0.152 4.679 4.527 -0.000 0.000 0.298 106 F C 1.935 177.681 175.800 -0.090 0.000 1.094 106 F CA 0.292 58.287 58.000 -0.008 0.000 1.409 106 F CB -0.428 38.641 39.000 0.114 0.000 1.064 106 F HN 0.140 nan 8.300 nan 0.000 0.528 107 I N 0.073 120.533 120.570 -0.183 0.000 2.099 107 I HA -0.350 3.820 4.170 -0.000 0.000 0.239 107 I C 2.583 178.612 176.117 -0.146 0.000 1.066 107 I CA 1.537 62.607 61.300 -0.383 0.000 1.324 107 I CB -0.423 37.248 38.000 -0.550 0.000 1.037 107 I HN 0.029 nan 8.210 nan 0.000 0.401 108 K N 0.892 121.216 120.400 -0.126 0.000 2.152 108 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 108 K C 1.968 178.527 176.600 -0.068 0.000 1.048 108 K CA 1.434 57.667 56.287 -0.090 0.000 0.933 108 K CB -0.092 32.349 32.500 -0.099 0.000 0.721 108 K HN 0.339 nan 8.250 nan 0.000 0.447 109 A N 0.060 122.833 122.820 -0.079 0.000 2.209 109 A HA 0.073 4.393 4.320 -0.000 0.000 0.212 109 A C 1.260 178.853 177.584 0.016 0.000 1.158 109 A CA 1.137 53.139 52.037 -0.059 0.000 0.742 109 A CB -0.444 18.481 19.000 -0.125 0.000 0.790 109 A HN 0.526 nan 8.150 nan 0.000 0.472 110 G N -1.629 107.196 108.800 0.041 0.000 2.137 110 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.237 110 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.237 110 G C 0.134 175.115 174.900 0.134 0.000 1.002 110 G CA 0.089 45.234 45.100 0.075 0.000 0.702 110 G HN 0.728 nan 8.290 nan 0.000 0.515 111 V N 0.370 120.403 119.914 0.197 0.000 2.637 111 V HA 0.499 4.618 4.120 -0.000 0.000 0.296 111 V C 1.871 178.144 176.094 0.297 0.000 1.046 111 V CA 1.082 63.533 62.300 0.252 0.000 1.066 111 V CB 1.398 33.432 31.823 0.351 0.000 0.968 111 V HN 0.527 nan 8.190 nan 0.000 0.483 112 G N 2.972 111.847 108.800 0.124 0.000 2.494 112 G HA2 0.429 4.389 3.960 -0.000 0.000 0.216 112 G HA3 0.429 4.389 3.960 -0.000 0.000 0.216 112 G C 0.353 175.057 174.900 -0.328 0.000 1.140 112 G CA 0.837 45.952 45.100 0.025 0.000 0.801 112 G HN 1.094 nan 8.290 nan 0.000 0.536 113 A N -1.408 121.107 122.820 -0.508 0.000 2.605 113 A HA 0.665 4.985 4.320 -0.000 0.000 0.294 113 A C -1.915 175.362 177.584 -0.512 0.000 1.062 113 A CA -0.366 51.200 52.037 -0.785 0.000 0.682 113 A CB 1.712 19.988 19.000 -1.207 0.000 1.278 113 A HN 0.520 nan 8.150 nan 0.000 0.410 114 V N 2.346 121.976 119.914 -0.473 0.000 2.777 114 V HA 0.516 4.635 4.120 -0.000 0.000 0.306 114 V C -1.204 174.798 176.094 -0.154 0.000 1.112 114 V CA -0.455 61.667 62.300 -0.297 0.000 0.917 114 V CB 2.162 33.857 31.823 -0.212 0.000 1.018 114 V HN 1.303 nan 8.190 nan 0.000 0.426 115 H N 4.182 123.208 119.070 -0.074 0.000 2.459 115 H HA 0.821 5.376 4.556 -0.000 0.000 0.332 115 H C -1.320 173.959 175.328 -0.081 0.000 1.094 115 H CA -0.865 55.172 56.048 -0.018 0.000 1.224 115 H CB 1.253 31.096 29.762 0.136 0.000 1.449 115 H HN 0.507 nan 8.280 nan 0.000 0.484 116 L N 3.487 124.750 121.223 0.067 0.000 2.325 116 L HA 0.365 4.704 4.340 -0.000 0.000 0.278 116 L C 0.129 176.980 176.870 -0.032 0.000 1.023 116 L CA -0.874 53.946 54.840 -0.034 0.000 0.811 116 L CB 1.614 43.620 42.059 -0.087 0.000 1.249 116 L HN 0.852 nan 8.230 nan 0.000 0.431 117 E N 0.814 120.960 120.200 -0.089 0.000 2.232 117 E HA 0.228 4.578 4.350 -0.000 0.000 0.264 117 E C -1.165 175.353 176.600 -0.137 0.000 0.973 117 E CA -0.729 55.597 56.400 -0.122 0.000 0.849 117 E CB 1.725 31.339 29.700 -0.144 0.000 1.198 117 E HN 0.549 nan 8.360 nan 0.000 0.407 118 D N 0.999 121.336 120.400 -0.106 0.000 2.587 118 D HA 0.019 4.659 4.640 -0.000 0.000 0.233 118 D C -0.085 176.181 176.300 -0.057 0.000 1.213 118 D CA -0.328 53.618 54.000 -0.089 0.000 0.827 118 D CB 0.187 40.984 40.800 -0.004 0.000 1.006 118 D HN 0.172 nan 8.370 nan 0.000 0.490 119 Q N 0.134 119.887 119.800 -0.079 0.000 2.471 119 Q HA 0.183 4.523 4.340 -0.000 0.000 0.223 119 Q C 0.113 176.067 176.000 -0.077 0.000 1.045 119 Q CA -0.570 55.191 55.803 -0.070 0.000 0.956 119 Q CB 1.893 30.582 28.738 -0.082 0.000 1.249 119 Q HN 0.144 nan 8.270 nan 0.000 0.549 120 V N 0.651 120.523 119.914 -0.071 0.000 3.051 120 V HA 0.309 4.429 4.120 -0.000 0.000 0.306 120 V C 0.879 176.913 176.094 -0.099 0.000 1.083 120 V CA 0.787 63.037 62.300 -0.083 0.000 1.104 120 V CB 1.144 32.913 31.823 -0.089 0.000 1.027 120 V HN 0.888 nan 8.190 nan 0.000 0.483 121 G N 3.530 112.272 108.800 -0.097 0.000 2.873 121 G HA2 0.205 4.165 3.960 -0.000 0.000 0.170 121 G HA3 0.205 4.165 3.960 -0.000 0.000 0.170 121 G C -0.240 174.603 174.900 -0.095 0.000 1.608 121 G CA -0.481 44.563 45.100 -0.094 0.000 1.084 121 G HN 0.766 nan 8.290 nan 0.000 0.563 122 Q N -0.205 119.554 119.800 -0.070 0.000 2.364 122 Q HA 0.440 4.780 4.340 -0.000 0.000 0.267 122 Q C -0.118 175.821 176.000 -0.102 0.000 0.999 122 Q CA 0.512 56.275 55.803 -0.067 0.000 0.886 122 Q CB 1.186 29.910 28.738 -0.024 0.000 1.243 122 Q HN 0.343 nan 8.270 nan 0.000 0.415 123 K N 0.792 121.108 120.400 -0.141 0.000 2.399 123 K HA 0.343 4.663 4.320 -0.000 0.000 0.260 123 K C -0.720 175.839 176.600 -0.068 0.000 1.049 123 K CA -1.120 55.070 56.287 -0.163 0.000 0.890 123 K CB 1.785 34.057 32.500 -0.380 0.000 1.430 123 K HN 0.627 nan 8.250 nan 0.000 0.459 124 R N 0.537 121.030 120.500 -0.011 0.000 2.448 124 R HA -0.234 4.106 4.340 -0.000 0.000 0.272 124 R C 1.148 177.488 176.300 0.067 0.000 0.935 124 R CA 0.798 56.928 56.100 0.050 0.000 1.084 124 R CB -0.032 30.325 30.300 0.094 0.000 0.840 124 R HN 0.835 nan 8.270 nan 0.000 0.432 125 C N 3.341 122.671 119.300 0.050 0.000 2.398 125 C HA -0.052 4.408 4.460 -0.000 0.000 0.276 125 C C 2.052 177.080 174.990 0.063 0.000 1.222 125 C CA 1.476 60.522 59.018 0.047 0.000 1.746 125 C CB -1.330 26.430 27.740 0.033 0.000 2.039 125 C HN 0.891 nan 8.230 nan 0.000 0.470 126 G N -0.898 107.942 108.800 0.066 0.000 3.371 126 G HA2 0.156 4.116 3.960 -0.000 0.000 0.248 126 G HA3 0.156 4.116 3.960 -0.000 0.000 0.248 126 G C 0.417 175.357 174.900 0.067 0.000 1.161 126 G CA -0.145 44.988 45.100 0.055 0.000 0.796 126 G HN 0.820 nan 8.290 nan 0.000 0.539 127 H N 1.582 120.655 119.070 0.005 0.000 3.064 127 H HA 0.078 4.633 4.556 -0.000 0.000 0.329 127 H C 0.313 175.644 175.328 0.004 0.000 1.020 127 H CA 0.454 56.504 56.048 0.003 0.000 1.402 127 H CB 0.771 30.534 29.762 0.002 0.000 1.379 127 H HN 0.143 nan 8.280 nan 0.000 0.594 128 R N 4.597 124.967 120.500 -0.217 0.000 2.560 128 R HA 0.174 4.514 4.340 -0.000 0.000 0.270 128 R C -2.097 174.225 176.300 0.037 0.000 1.074 128 R CA -1.733 54.318 56.100 -0.082 0.000 1.140 128 R CB -0.002 30.224 30.300 -0.125 0.000 1.073 128 R HN 0.556 nan 8.270 nan 0.000 0.527 129 P HA 0.098 nan 4.420 nan 0.000 0.273 129 P C -0.492 176.839 177.300 0.053 0.000 1.319 129 P CA 0.109 63.251 63.100 0.070 0.000 0.885 129 P CB 0.793 32.520 31.700 0.044 0.000 1.015 130 G N 2.770 111.623 108.800 0.089 0.000 3.251 130 G HA2 0.592 4.551 3.960 -0.000 0.000 0.248 130 G HA3 0.592 4.551 3.960 -0.000 0.000 0.248 130 G C -1.272 173.665 174.900 0.061 0.000 1.320 130 G CA -0.777 44.361 45.100 0.064 0.000 0.982 130 G HN 0.272 nan 8.290 nan 0.000 0.575 131 K N 0.353 120.780 120.400 0.046 0.000 2.426 131 K HA 0.512 4.832 4.320 -0.000 0.000 0.254 131 K C -1.195 175.420 176.600 0.026 0.000 0.936 131 K CA -0.372 55.930 56.287 0.025 0.000 0.801 131 K CB 2.481 34.986 32.500 0.009 0.000 1.139 131 K HN 0.471 nan 8.250 nan 0.000 0.424 132 E N 1.837 122.044 120.200 0.012 0.000 2.366 132 E HA 0.335 4.685 4.350 -0.000 0.000 0.278 132 E C -1.326 175.270 176.600 -0.008 0.000 0.923 132 E CA -0.770 55.635 56.400 0.009 0.000 0.761 132 E CB 2.073 31.783 29.700 0.016 0.000 1.231 132 E HN 0.577 nan 8.360 nan 0.000 0.443 133 C N 2.054 121.353 119.300 -0.001 0.000 2.365 133 C HA 0.558 5.018 4.460 -0.000 0.000 0.349 133 C C 0.149 175.139 174.990 0.001 0.000 1.191 133 C CA -0.749 58.271 59.018 0.003 0.000 2.114 133 C CB 0.655 28.407 27.740 0.021 0.000 2.367 133 C HN 0.508 nan 8.230 nan 0.000 0.530 134 V N 1.167 121.081 119.914 -0.000 0.000 2.904 134 V HA 0.499 4.619 4.120 -0.000 0.000 0.305 134 V C -2.331 173.777 176.094 0.024 0.000 1.067 134 V CA -1.856 60.443 62.300 -0.003 0.000 1.044 134 V CB -0.157 31.652 31.823 -0.023 0.000 1.050 134 V HN 0.791 nan 8.190 nan 0.000 0.475 135 P HA -0.073 nan 4.420 nan 0.000 0.268 135 P C 0.827 178.165 177.300 0.064 0.000 1.171 135 P CA 0.988 64.106 63.100 0.030 0.000 0.761 135 P CB 0.300 32.010 31.700 0.016 0.000 0.786 136 A N 3.090 125.959 122.820 0.083 0.000 2.131 136 A HA -0.087 4.233 4.320 -0.000 0.000 0.220 136 A C 2.230 179.905 177.584 0.152 0.000 1.158 136 A CA 1.996 54.130 52.037 0.162 0.000 0.665 136 A CB -1.240 17.815 19.000 0.092 0.000 0.795 136 A HN 0.660 nan 8.150 nan 0.000 0.460 137 G N -0.609 108.235 108.800 0.073 0.000 2.441 137 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.212 137 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.212 137 G C 1.383 176.294 174.900 0.018 0.000 1.164 137 G CA 0.956 46.083 45.100 0.045 0.000 0.811 137 G HN 0.544 nan 8.290 nan 0.000 0.535 138 E N 0.372 120.575 120.200 0.004 0.000 2.110 138 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 138 E C 2.252 178.819 176.600 -0.056 0.000 0.988 138 E CA 1.298 57.682 56.400 -0.027 0.000 0.804 138 E CB -0.301 29.381 29.700 -0.030 0.000 0.745 138 E HN 0.321 nan 8.360 nan 0.000 0.458 139 M N -0.617 118.944 119.600 -0.065 0.000 2.254 139 M HA -0.000 4.479 4.480 -0.000 0.000 0.265 139 M C 1.803 177.978 176.300 -0.210 0.000 1.066 139 M CA 1.026 56.214 55.300 -0.187 0.000 1.123 139 M CB -0.189 32.232 32.600 -0.298 0.000 1.388 139 M HN 0.078 nan 8.290 nan 0.000 0.425 140 V N 0.901 120.774 119.914 -0.068 0.000 2.343 140 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 140 V C 1.844 177.915 176.094 -0.038 0.000 1.051 140 V CA 2.167 64.458 62.300 -0.015 0.000 1.036 140 V CB -0.943 30.917 31.823 0.063 0.000 0.654 140 V HN 0.432 nan 8.190 nan 0.000 0.451 141 D N -0.360 120.014 120.400 -0.043 0.000 2.117 141 D HA -0.129 4.510 4.640 -0.000 0.000 0.197 141 D C 2.378 178.639 176.300 -0.064 0.000 0.987 141 D CA 1.015 54.986 54.000 -0.048 0.000 0.829 141 D CB -0.316 40.452 40.800 -0.054 0.000 0.961 141 D HN 0.371 nan 8.370 nan 0.000 0.460 142 R N 0.288 120.734 120.500 -0.089 0.000 2.080 142 R HA -0.107 4.232 4.340 -0.000 0.000 0.236 142 R C 2.589 178.843 176.300 -0.076 0.000 1.137 142 R CA 0.850 56.894 56.100 -0.093 0.000 0.943 142 R CB -0.654 29.570 30.300 -0.128 0.000 0.846 142 R HN 0.276 nan 8.270 nan 0.000 0.431 143 I N 1.124 121.636 120.570 -0.097 0.000 2.179 143 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 143 I C 2.536 178.644 176.117 -0.016 0.000 1.088 143 I CA 1.423 62.684 61.300 -0.064 0.000 1.357 143 I CB -0.284 37.663 38.000 -0.088 0.000 1.051 143 I HN 0.117 nan 8.210 nan 0.000 0.409 144 K N 0.783 121.175 120.400 -0.014 0.000 2.044 144 K HA -0.248 4.072 4.320 -0.000 0.000 0.210 144 K C 2.264 178.871 176.600 0.012 0.000 1.049 144 K CA 1.802 58.092 56.287 0.005 0.000 0.927 144 K CB -0.408 32.093 32.500 0.001 0.000 0.713 144 K HN 0.372 nan 8.250 nan 0.000 0.443 145 A N 1.396 124.215 122.820 -0.002 0.000 1.908 145 A HA -0.177 4.142 4.320 -0.000 0.000 0.218 145 A C 2.376 179.984 177.584 0.039 0.000 1.181 145 A CA 2.141 54.184 52.037 0.011 0.000 0.627 145 A CB -0.647 18.343 19.000 -0.016 0.000 0.818 145 A HN 0.389 nan 8.150 nan 0.000 0.445 146 A N -0.718 122.125 122.820 0.038 0.000 1.873 146 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 146 A C 2.222 179.860 177.584 0.090 0.000 1.186 146 A CA 1.728 53.807 52.037 0.071 0.000 0.616 146 A CB -0.989 18.048 19.000 0.061 0.000 0.823 146 A HN 0.423 nan 8.150 nan 0.000 0.442 147 V N 0.489 120.446 119.914 0.072 0.000 2.407 147 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 147 V C 2.256 178.394 176.094 0.074 0.000 1.055 147 V CA 2.529 64.878 62.300 0.080 0.000 1.049 147 V CB -0.852 31.008 31.823 0.062 0.000 0.662 147 V HN 0.747 nan 8.190 nan 0.000 0.455 148 D N 0.165 120.601 120.400 0.060 0.000 2.117 148 D HA -0.110 4.529 4.640 -0.000 0.000 0.198 148 D C 2.087 178.421 176.300 0.057 0.000 0.982 148 D CA 1.283 55.316 54.000 0.055 0.000 0.828 148 D CB -0.149 40.681 40.800 0.051 0.000 0.967 148 D HN 0.378 nan 8.370 nan 0.000 0.464 149 A N 0.102 122.960 122.820 0.064 0.000 2.067 149 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 149 A C 1.464 179.072 177.584 0.040 0.000 1.158 149 A CA 0.215 52.286 52.037 0.056 0.000 0.661 149 A CB -0.391 18.650 19.000 0.069 0.000 0.801 149 A HN 0.140 nan 8.150 nan 0.000 0.452 150 R N 1.112 121.649 120.500 0.062 0.000 2.449 150 R HA 0.093 4.432 4.340 -0.000 0.000 0.296 150 R C 0.941 177.261 176.300 0.034 0.000 1.047 150 R CA 1.006 57.141 56.100 0.059 0.000 1.018 150 R CB 0.441 30.837 30.300 0.160 0.000 0.962 150 R HN 0.414 nan 8.270 nan 0.000 0.428 151 T N -0.751 113.796 114.554 -0.012 0.000 3.044 151 T HA 0.020 4.370 4.350 -0.000 0.000 0.250 151 T C 0.103 174.812 174.700 0.014 0.000 1.081 151 T CA -0.066 62.030 62.100 -0.006 0.000 1.040 151 T CB 0.243 69.091 68.868 -0.033 0.000 0.962 151 T HN 0.517 nan 8.240 nan 0.000 0.506 152 D N 0.783 121.204 120.400 0.034 0.000 2.479 152 D HA 0.239 4.878 4.640 -0.000 0.000 0.246 152 D C 0.501 176.879 176.300 0.130 0.000 1.336 152 D CA -0.511 53.530 54.000 0.068 0.000 0.967 152 D CB 1.760 42.592 40.800 0.054 0.000 1.275 152 D HN 0.160 nan 8.370 nan 0.000 0.577 153 E N 0.843 121.109 120.200 0.110 0.000 2.209 153 E HA -0.192 4.157 4.350 -0.000 0.000 0.196 153 E C 1.825 178.508 176.600 0.139 0.000 0.993 153 E CA 1.694 58.166 56.400 0.120 0.000 0.819 153 E CB -0.116 29.636 29.700 0.086 0.000 0.745 153 E HN 0.684 nan 8.360 nan 0.000 0.477 154 T N -0.487 114.152 114.554 0.142 0.000 2.849 154 T HA -0.221 4.129 4.350 -0.000 0.000 0.270 154 T C 0.629 175.441 174.700 0.186 0.000 1.066 154 T CA 0.232 62.420 62.100 0.147 0.000 1.130 154 T CB -0.552 68.398 68.868 0.136 0.000 0.864 154 T HN 0.127 nan 8.240 nan 0.000 0.481 155 F N 2.788 122.770 119.950 0.054 0.000 2.578 155 F HA 0.408 4.935 4.527 -0.001 0.000 0.381 155 F C -0.199 175.622 175.800 0.034 0.000 1.069 155 F CA -1.034 56.990 58.000 0.039 0.000 1.231 155 F CB 0.491 39.513 39.000 0.036 0.000 1.086 155 F HN -0.113 nan 8.300 nan 0.000 0.564 156 V N 8.387 127.975 119.914 -0.543 0.000 2.383 156 V HA 0.246 4.366 4.120 -0.000 0.000 0.275 156 V C 0.317 176.121 176.094 -0.483 0.000 1.036 156 V CA -0.654 61.433 62.300 -0.355 0.000 0.889 156 V CB 1.111 32.807 31.823 -0.213 0.000 0.985 156 V HN 0.506 nan 8.190 nan 0.000 0.459 157 I N 6.272 126.718 120.570 -0.208 0.000 2.330 157 I HA 0.441 4.611 4.170 -0.000 0.000 0.289 157 I C -0.120 175.977 176.117 -0.033 0.000 1.001 157 I CA -0.083 61.143 61.300 -0.123 0.000 1.193 157 I CB 1.286 39.283 38.000 -0.006 0.000 1.345 157 I HN 0.543 nan 8.210 nan 0.000 0.461 158 M N 6.101 125.696 119.600 -0.010 0.000 2.227 158 M HA 0.651 5.131 4.480 -0.000 0.000 0.335 158 M C -0.901 175.465 176.300 0.111 0.000 1.053 158 M CA -0.463 54.885 55.300 0.080 0.000 0.973 158 M CB 1.813 34.486 32.600 0.121 0.000 1.623 158 M HN 0.661 nan 8.290 nan 0.000 0.434 159 A N 5.367 128.262 122.820 0.125 0.000 2.276 159 A HA 0.615 4.935 4.320 -0.000 0.000 0.316 159 A C -0.677 176.991 177.584 0.141 0.000 1.229 159 A CA -0.704 51.391 52.037 0.096 0.000 0.851 159 A CB 0.653 19.715 19.000 0.104 0.000 1.165 159 A HN 0.966 nan 8.150 nan 0.000 0.513 160 R N 1.542 122.056 120.500 0.022 0.000 2.460 160 R HA 0.622 4.962 4.340 -0.000 0.000 0.303 160 R C -0.943 175.320 176.300 -0.061 0.000 0.968 160 R CA -0.058 55.966 56.100 -0.127 0.000 0.889 160 R CB 1.478 31.465 30.300 -0.522 0.000 1.123 160 R HN 0.652 nan 8.270 nan 0.000 0.455 161 T N 1.170 115.708 114.554 -0.027 0.000 2.886 161 T HA 0.174 4.524 4.350 -0.000 0.000 0.292 161 T C -0.640 174.035 174.700 -0.041 0.000 1.012 161 T CA -0.645 61.478 62.100 0.038 0.000 0.982 161 T CB 1.459 70.442 68.868 0.192 0.000 1.018 161 T HN 0.679 nan 8.240 nan 0.000 0.451 162 D N 2.932 123.310 120.400 -0.037 0.000 2.424 162 D HA 0.333 4.973 4.640 -0.000 0.000 0.220 162 D C 1.584 177.879 176.300 -0.008 0.000 1.150 162 D CA 0.099 54.073 54.000 -0.042 0.000 0.831 162 D CB 0.405 41.171 40.800 -0.057 0.000 0.981 162 D HN 0.648 nan 8.370 nan 0.000 0.500 163 A N 0.563 123.394 122.820 0.019 0.000 1.898 163 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 163 A C 2.342 179.936 177.584 0.016 0.000 1.181 163 A CA 1.661 53.712 52.037 0.024 0.000 0.620 163 A CB -0.498 18.524 19.000 0.037 0.000 0.819 163 A HN 0.270 nan 8.150 nan 0.000 0.442 164 A N 0.222 123.054 122.820 0.020 0.000 1.915 164 A HA -0.082 4.237 4.320 -0.000 0.000 0.220 164 A C 2.543 180.128 177.584 0.000 0.000 1.198 164 A CA 2.902 54.946 52.037 0.013 0.000 0.647 164 A CB -1.297 17.702 19.000 -0.002 0.000 0.825 164 A HN 1.287 nan 8.150 nan 0.000 0.456 165 A N -1.038 121.778 122.820 -0.005 0.000 1.917 165 A HA 0.078 4.398 4.320 -0.000 0.000 0.219 165 A C 2.381 179.965 177.584 0.000 0.000 1.182 165 A CA 2.765 54.800 52.037 -0.004 0.000 0.633 165 A CB -0.780 18.217 19.000 -0.005 0.000 0.819 165 A HN 1.343 nan 8.150 nan 0.000 0.448 166 A N -1.316 121.506 122.820 0.002 0.000 2.167 166 A HA 0.256 4.576 4.320 -0.000 0.000 0.208 166 A C 1.389 178.975 177.584 0.003 0.000 1.198 166 A CA 0.780 52.819 52.037 0.004 0.000 0.863 166 A CB 0.163 19.167 19.000 0.006 0.000 0.904 166 A HN 0.552 nan 8.150 nan 0.000 0.484 167 E N -0.500 119.702 120.200 0.003 0.000 2.583 167 E HA 0.431 4.781 4.350 -0.000 0.000 0.213 167 E C 0.571 177.170 176.600 -0.002 0.000 0.989 167 E CA 0.029 56.430 56.400 0.001 0.000 0.991 167 E CB 0.553 30.254 29.700 0.001 0.000 1.040 167 E HN 0.632 nan 8.360 nan 0.000 0.481 168 G N 1.834 110.635 108.800 0.001 0.000 2.731 168 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.686 168 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.686 168 G C 0.360 175.263 174.900 0.006 0.000 1.395 168 G CA -0.207 44.893 45.100 -0.000 0.000 0.870 168 G HN 0.255 nan 8.290 nan 0.000 0.591 169 I N 0.081 120.657 120.570 0.010 0.000 2.248 169 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 169 I C 2.143 178.268 176.117 0.014 0.000 1.107 169 I CA 2.533 63.853 61.300 0.034 0.000 1.373 169 I CB -0.049 37.968 38.000 0.027 0.000 1.055 169 I HN 0.666 nan 8.210 nan 0.000 0.418 170 D N 0.824 121.212 120.400 -0.021 0.000 2.162 170 D HA -0.106 4.534 4.640 -0.000 0.000 0.203 170 D C 2.235 178.493 176.300 -0.070 0.000 0.967 170 D CA 1.258 55.224 54.000 -0.057 0.000 0.840 170 D CB -0.069 40.702 40.800 -0.049 0.000 0.972 170 D HN 0.509 nan 8.370 nan 0.000 0.482 171 A N 1.901 124.694 122.820 -0.046 0.000 1.892 171 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 171 A C 2.420 179.964 177.584 -0.066 0.000 1.188 171 A CA 2.415 54.422 52.037 -0.049 0.000 0.631 171 A CB -0.800 18.184 19.000 -0.026 0.000 0.822 171 A HN 0.254 nan 8.150 nan 0.000 0.447 172 A N -0.403 122.403 122.820 -0.024 0.000 1.908 172 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 172 A C 2.125 179.666 177.584 -0.070 0.000 1.181 172 A CA 1.626 53.675 52.037 0.020 0.000 0.627 172 A CB -0.642 18.446 19.000 0.147 0.000 0.818 172 A HN 0.501 nan 8.150 nan 0.000 0.445 173 I N -0.702 119.745 120.570 -0.205 0.000 2.208 173 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 173 I C 2.558 178.459 176.117 -0.360 0.000 1.097 173 I CA 1.891 62.881 61.300 -0.515 0.000 1.363 173 I CB -0.232 37.491 38.000 -0.461 0.000 1.051 173 I HN 0.481 nan 8.210 nan 0.000 0.413 174 E N 0.589 120.644 120.200 -0.240 0.000 2.051 174 E HA -0.233 4.117 4.350 -0.000 0.000 0.192 174 E C 2.379 178.830 176.600 -0.248 0.000 0.991 174 E CA 1.061 57.342 56.400 -0.199 0.000 0.799 174 E CB 0.073 29.692 29.700 -0.135 0.000 0.748 174 E HN 0.317 nan 8.360 nan 0.000 0.449 175 R N 0.071 120.390 120.500 -0.301 0.000 2.094 175 R HA -0.198 4.141 4.340 -0.000 0.000 0.239 175 R C 2.418 178.160 176.300 -0.931 0.000 1.137 175 R CA 1.522 57.291 56.100 -0.553 0.000 0.943 175 R CB -0.486 29.512 30.300 -0.503 0.000 0.850 175 R HN 0.169 nan 8.270 nan 0.000 0.433 176 A N 0.967 123.395 122.820 -0.652 0.000 1.948 176 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 176 A C 2.161 179.602 177.584 -0.238 0.000 1.177 176 A CA 1.611 53.400 52.037 -0.413 0.000 0.636 176 A CB -0.631 18.296 19.000 -0.122 0.000 0.815 176 A HN 0.269 nan 8.150 nan 0.000 0.449 177 I N -0.369 120.059 120.570 -0.237 0.000 2.315 177 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 177 I C 2.843 178.917 176.117 -0.071 0.000 1.117 177 I CA 0.979 62.202 61.300 -0.129 0.000 1.404 177 I CB -0.314 37.608 38.000 -0.130 0.000 1.071 177 I HN 0.313 nan 8.210 nan 0.000 0.419 178 A N 0.319 123.074 122.820 -0.108 0.000 1.969 178 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 178 A C 2.128 179.818 177.584 0.176 0.000 1.169 178 A CA 1.362 53.402 52.037 0.006 0.000 0.635 178 A CB -0.688 18.309 19.000 -0.005 0.000 0.810 178 A HN 0.374 nan 8.150 nan 0.000 0.445 179 Y N -0.262 120.044 120.300 0.011 0.000 2.220 179 Y HA -0.075 4.474 4.550 -0.001 0.000 0.291 179 Y C 2.629 178.545 175.900 0.027 0.000 1.129 179 Y CA 0.363 58.477 58.100 0.022 0.000 1.161 179 Y CB -1.324 37.157 38.460 0.035 0.000 0.997 179 Y HN 0.088 nan 8.280 nan 0.000 0.522 180 V N 0.410 120.431 119.914 0.178 0.000 2.332 180 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 180 V C 2.347 178.490 176.094 0.082 0.000 1.055 180 V CA 1.905 64.269 62.300 0.107 0.000 1.038 180 V CB -0.496 31.366 31.823 0.064 0.000 0.651 180 V HN 0.311 nan 8.190 nan 0.000 0.450 181 E N 0.645 120.888 120.200 0.072 0.000 2.065 181 E HA -0.275 4.075 4.350 -0.000 0.000 0.201 181 E C 2.278 178.915 176.600 0.063 0.000 1.016 181 E CA 1.879 58.313 56.400 0.056 0.000 0.818 181 E CB -0.533 29.197 29.700 0.050 0.000 0.749 181 E HN 0.607 nan 8.360 nan 0.000 0.453 182 A N -0.509 122.362 122.820 0.085 0.000 2.209 182 A HA 0.155 4.474 4.320 -0.000 0.000 0.212 182 A C 1.738 179.356 177.584 0.056 0.000 1.158 182 A CA 1.563 53.640 52.037 0.066 0.000 0.742 182 A CB -0.055 18.985 19.000 0.067 0.000 0.790 182 A HN 0.381 nan 8.150 nan 0.000 0.472 183 G N -2.697 106.143 108.800 0.066 0.000 2.227 183 G HA2 0.212 4.172 3.960 -0.000 0.000 0.168 183 G HA3 0.212 4.172 3.960 -0.000 0.000 0.168 183 G C 0.383 175.322 174.900 0.065 0.000 1.006 183 G CA -0.025 45.111 45.100 0.060 0.000 0.684 183 G HN 1.455 nan 8.290 nan 0.000 0.489 184 A N 0.702 123.569 122.820 0.077 0.000 2.546 184 A HA 0.467 4.786 4.320 -0.000 0.000 0.243 184 A C 1.171 178.805 177.584 0.083 0.000 1.063 184 A CA 1.077 53.163 52.037 0.081 0.000 0.757 184 A CB 0.215 19.285 19.000 0.118 0.000 0.991 184 A HN 0.249 nan 8.150 nan 0.000 0.503 185 D N 1.461 121.902 120.400 0.069 0.000 2.249 185 D HA 0.095 4.734 4.640 -0.000 0.000 0.205 185 D C 0.367 176.718 176.300 0.086 0.000 0.962 185 D CA 1.313 55.355 54.000 0.070 0.000 0.860 185 D CB 0.135 40.969 40.800 0.056 0.000 0.955 185 D HN 0.661 nan 8.370 nan 0.000 0.505 186 M N 0.231 119.891 119.600 0.100 0.000 2.578 186 M HA 0.348 4.827 4.480 -0.000 0.000 0.276 186 M C -1.489 174.901 176.300 0.150 0.000 1.245 186 M CA -0.704 54.667 55.300 0.118 0.000 0.871 186 M CB 3.382 36.055 32.600 0.121 0.000 1.722 186 M HN -0.336 nan 8.290 nan 0.000 0.473 187 I N 1.261 121.931 120.570 0.167 0.000 2.608 187 I HA 0.450 4.620 4.170 -0.000 0.000 0.295 187 I C -1.424 174.811 176.117 0.196 0.000 1.049 187 I CA -0.314 61.117 61.300 0.219 0.000 1.063 187 I CB 1.850 40.031 38.000 0.301 0.000 1.248 187 I HN 0.725 nan 8.210 nan 0.000 0.424 188 F N 7.784 127.733 119.950 -0.003 0.000 2.443 188 F HA 0.448 4.975 4.527 -0.001 0.000 0.369 188 F C -2.390 173.327 175.800 -0.139 0.000 1.090 188 F CA -2.125 55.816 58.000 -0.098 0.000 1.129 188 F CB 1.746 40.646 39.000 -0.166 0.000 1.367 188 F HN 0.197 nan 8.300 nan 0.000 0.465 189 P HA 0.103 nan 4.420 nan 0.000 0.291 189 P C -0.642 176.647 177.300 -0.018 0.000 1.340 189 P CA -0.039 62.951 63.100 -0.183 0.000 0.799 189 P CB 1.187 32.332 31.700 -0.925 0.000 0.917 190 E N 3.038 123.226 120.200 -0.020 0.000 2.392 190 E HA 0.241 4.591 4.350 -0.000 0.000 0.264 190 E C 0.479 177.059 176.600 -0.034 0.000 1.024 190 E CA 0.180 56.580 56.400 0.000 0.000 0.903 190 E CB 0.514 30.155 29.700 -0.100 0.000 0.963 190 E HN 0.586 nan 8.360 nan 0.000 0.432 191 A N 4.382 127.209 122.820 0.013 0.000 2.136 191 A HA -0.195 4.125 4.320 -0.000 0.000 0.274 191 A C 0.108 177.651 177.584 -0.069 0.000 1.388 191 A CA 0.732 52.767 52.037 -0.003 0.000 0.741 191 A CB -1.242 17.757 19.000 -0.001 0.000 1.173 191 A HN 0.389 nan 8.150 nan 0.000 0.329 192 M N 0.790 120.313 119.600 -0.128 0.000 2.318 192 M HA 0.320 4.799 4.480 -0.000 0.000 0.347 192 M C 1.036 177.326 176.300 -0.016 0.000 1.175 192 M CA -0.259 54.882 55.300 -0.265 0.000 1.075 192 M CB 1.483 33.519 32.600 -0.940 0.000 1.614 192 M HN 0.438 nan 8.290 nan 0.000 0.456 193 K N 0.586 120.986 120.400 0.001 0.000 2.202 193 K HA 0.068 4.388 4.320 -0.000 0.000 0.201 193 K C 0.875 177.606 176.600 0.218 0.000 1.051 193 K CA 0.654 57.010 56.287 0.114 0.000 0.977 193 K CB 0.118 32.650 32.500 0.054 0.000 0.792 193 K HN 0.847 nan 8.250 nan 0.000 0.469 194 T N -2.442 112.164 114.554 0.086 0.000 2.924 194 T HA 0.333 4.683 4.350 -0.000 0.000 0.291 194 T C 0.720 175.371 174.700 -0.083 0.000 1.045 194 T CA -0.816 61.312 62.100 0.047 0.000 1.015 194 T CB 1.282 70.159 68.868 0.015 0.000 1.103 194 T HN -0.174 nan 8.240 nan 0.000 0.496 195 L N 1.000 122.098 121.223 -0.208 0.000 2.187 195 L HA -0.028 4.312 4.340 -0.000 0.000 0.213 195 L C 2.394 179.236 176.870 -0.046 0.000 1.100 195 L CA 1.644 56.356 54.840 -0.214 0.000 0.765 195 L CB -0.698 41.209 42.059 -0.254 0.000 0.904 195 L HN 0.826 nan 8.230 nan 0.000 0.437 196 D N -0.685 119.693 120.400 -0.037 0.000 2.123 196 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 196 D C 1.518 177.817 176.300 -0.002 0.000 0.976 196 D CA 0.932 54.925 54.000 -0.012 0.000 0.831 196 D CB 0.202 40.994 40.800 -0.013 0.000 0.974 196 D HN 0.308 nan 8.370 nan 0.000 0.469 197 D N -0.124 120.251 120.400 -0.043 0.000 2.133 197 D HA -0.207 4.433 4.640 -0.000 0.000 0.192 197 D C 1.998 178.263 176.300 -0.057 0.000 1.001 197 D CA 1.042 54.992 54.000 -0.085 0.000 0.844 197 D CB -0.671 40.003 40.800 -0.210 0.000 0.944 197 D HN 0.383 nan 8.370 nan 0.000 0.447 198 Y N 0.474 120.746 120.300 -0.045 0.000 2.181 198 Y HA -0.153 4.397 4.550 -0.000 0.000 0.288 198 Y C 2.570 178.482 175.900 0.019 0.000 1.146 198 Y CA 1.077 59.148 58.100 -0.049 0.000 1.164 198 Y CB -0.359 38.013 38.460 -0.146 0.000 0.982 198 Y HN -0.136 nan 8.280 nan 0.000 0.515 199 R N 0.866 121.449 120.500 0.140 0.000 2.083 199 R HA -0.134 4.206 4.340 -0.000 0.000 0.237 199 R C 2.163 178.510 176.300 0.078 0.000 1.137 199 R CA 1.715 57.862 56.100 0.078 0.000 0.951 199 R CB -0.358 29.961 30.300 0.030 0.000 0.851 199 R HN 0.218 nan 8.270 nan 0.000 0.434 200 R N -1.398 119.146 120.500 0.074 0.000 2.092 200 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 200 R C 2.224 178.556 176.300 0.054 0.000 1.119 200 R CA 1.505 57.630 56.100 0.042 0.000 0.970 200 R CB -0.426 29.887 30.300 0.021 0.000 0.864 200 R HN 0.213 nan 8.270 nan 0.000 0.440 201 F N 1.820 121.756 119.950 -0.025 0.000 2.069 201 F HA -0.263 4.265 4.527 0.001 0.000 0.298 201 F C 2.518 178.317 175.800 -0.002 0.000 1.113 201 F CA 1.561 59.549 58.000 -0.021 0.000 1.214 201 F CB 0.029 39.014 39.000 -0.025 0.000 0.978 201 F HN -0.193 nan 8.300 nan 0.000 0.474 202 K N 0.720 121.280 120.400 0.267 0.000 2.063 202 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 202 K C 2.054 178.691 176.600 0.062 0.000 1.048 202 K CA 1.871 58.251 56.287 0.155 0.000 0.928 202 K CB -0.480 32.086 32.500 0.111 0.000 0.713 202 K HN 0.438 nan 8.250 nan 0.000 0.442 203 E N -0.440 119.781 120.200 0.035 0.000 2.077 203 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 203 E C 1.695 178.274 176.600 -0.035 0.000 0.989 203 E CA 1.220 57.619 56.400 -0.002 0.000 0.800 203 E CB -0.032 29.665 29.700 -0.006 0.000 0.746 203 E HN 0.321 nan 8.360 nan 0.000 0.452 204 A N 0.355 123.128 122.820 -0.078 0.000 1.898 204 A HA -0.057 4.263 4.320 -0.000 0.000 0.214 204 A C 2.325 179.835 177.584 -0.123 0.000 1.183 204 A CA 1.278 53.238 52.037 -0.128 0.000 0.622 204 A CB -0.455 18.419 19.000 -0.211 0.000 0.824 204 A HN 0.318 nan 8.150 nan 0.000 0.444 205 V N -3.715 116.127 119.914 -0.119 0.000 3.052 205 V HA 0.093 4.213 4.120 -0.000 0.000 0.254 205 V C 0.944 177.035 176.094 -0.006 0.000 1.100 205 V CA 1.321 63.578 62.300 -0.072 0.000 1.112 205 V CB -0.744 31.056 31.823 -0.038 0.000 0.738 205 V HN 0.561 nan 8.190 nan 0.000 0.469 206 K N -0.111 120.294 120.400 0.008 0.000 3.426 206 K HA -0.177 4.142 4.320 -0.000 0.000 0.315 206 K C 0.358 176.978 176.600 0.032 0.000 1.293 206 K CA 1.046 57.343 56.287 0.016 0.000 0.955 206 K CB -2.556 29.945 32.500 0.002 0.000 1.238 206 K HN 0.928 nan 8.250 nan 0.000 0.441 207 V N -3.222 116.724 119.914 0.052 0.000 3.096 207 V HA 0.637 4.757 4.120 -0.000 0.000 0.319 207 V C -2.500 173.636 176.094 0.070 0.000 1.103 207 V CA -2.615 59.722 62.300 0.061 0.000 1.016 207 V CB 1.548 33.414 31.823 0.072 0.000 1.090 207 V HN -0.223 nan 8.190 nan 0.000 0.449 208 P HA 0.253 nan 4.420 nan 0.000 0.265 208 P C -0.883 176.456 177.300 0.064 0.000 1.187 208 P CA 0.371 63.500 63.100 0.048 0.000 0.766 208 P CB 0.149 31.874 31.700 0.041 0.000 0.820 209 I N 2.719 123.310 120.570 0.036 0.000 2.608 209 I HA 0.417 4.587 4.170 -0.000 0.000 0.295 209 I C -0.118 175.961 176.117 -0.063 0.000 1.049 209 I CA -0.789 60.530 61.300 0.031 0.000 1.063 209 I CB 1.713 39.763 38.000 0.084 0.000 1.248 209 I HN 0.286 nan 8.210 nan 0.000 0.424 210 L N 4.591 125.739 121.223 -0.126 0.000 2.334 210 L HA 0.852 5.192 4.340 -0.000 0.000 0.276 210 L C -0.435 176.233 176.870 -0.337 0.000 1.014 210 L CA -0.421 54.240 54.840 -0.297 0.000 0.815 210 L CB 1.742 43.521 42.059 -0.467 0.000 1.268 210 L HN 0.750 nan 8.230 nan 0.000 0.428 211 A N 3.152 125.737 122.820 -0.391 0.000 2.287 211 A HA 0.416 4.735 4.320 -0.000 0.000 0.317 211 A C -0.852 176.509 177.584 -0.371 0.000 1.220 211 A CA -0.620 51.215 52.037 -0.338 0.000 0.835 211 A CB 0.686 19.329 19.000 -0.594 0.000 1.180 211 A HN 0.691 nan 8.150 nan 0.000 0.500 212 N N 2.980 121.541 118.700 -0.232 0.000 2.521 212 N HA 0.264 5.004 4.740 -0.000 0.000 0.236 212 N C -0.844 174.587 175.510 -0.131 0.000 1.067 212 N CA -0.221 52.696 53.050 -0.222 0.000 0.939 212 N CB -0.132 38.361 38.487 0.011 0.000 1.201 212 N HN 0.560 nan 8.380 nan 0.000 0.511 213 L N 2.450 123.521 121.223 -0.254 0.000 2.404 213 L HA 0.228 4.568 4.340 -0.000 0.000 0.277 213 L C 0.893 177.692 176.870 -0.119 0.000 1.184 213 L CA -0.302 54.417 54.840 -0.202 0.000 1.013 213 L CB -0.034 41.827 42.059 -0.329 0.000 1.318 213 L HN 0.351 nan 8.230 nan 0.000 0.435 214 T N 1.926 116.440 114.554 -0.066 0.000 2.855 214 T HA 0.334 4.684 4.350 -0.000 0.000 0.281 214 T C -0.151 174.525 174.700 -0.039 0.000 1.007 214 T CA -0.813 61.272 62.100 -0.025 0.000 1.009 214 T CB 1.077 69.958 68.868 0.022 0.000 0.983 214 T HN 0.567 nan 8.240 nan 0.000 0.455 215 E N 3.314 123.495 120.200 -0.031 0.000 2.343 215 E HA 0.222 4.572 4.350 -0.000 0.000 0.269 215 E C -0.218 176.395 176.600 0.022 0.000 1.047 215 E CA -0.584 55.734 56.400 -0.138 0.000 0.874 215 E CB 0.353 29.914 29.700 -0.232 0.000 1.033 215 E HN 0.800 nan 8.360 nan 0.000 0.409 216 F N -0.731 119.201 119.950 -0.031 0.000 2.914 216 F HA -0.220 4.307 4.527 -0.000 0.000 0.304 216 F C 0.973 176.764 175.800 -0.015 0.000 0.712 216 F CA 1.137 59.125 58.000 -0.019 0.000 1.211 216 F CB -1.705 37.290 39.000 -0.009 0.000 1.515 216 F HN 0.703 nan 8.300 nan 0.000 0.350 217 G N -0.767 108.087 108.800 0.091 0.000 2.695 217 G HA2 0.493 4.453 3.960 -0.000 0.000 0.213 217 G HA3 0.493 4.453 3.960 -0.000 0.000 0.213 217 G C 0.875 175.788 174.900 0.021 0.000 1.406 217 G CA 0.312 45.448 45.100 0.060 0.000 1.049 217 G HN 0.127 nan 8.290 nan 0.000 0.573 218 S N -0.655 115.052 115.700 0.013 0.000 2.371 218 S HA 0.071 4.540 4.470 -0.000 0.000 0.219 218 S C 1.229 175.814 174.600 -0.024 0.000 1.040 218 S CA 0.507 58.708 58.200 0.002 0.000 0.958 218 S CB -0.256 62.953 63.200 0.014 0.000 0.860 218 S HN 0.557 nan 8.310 nan 0.000 0.487 219 T N 5.028 119.572 114.554 -0.018 0.000 2.849 219 T HA 0.098 4.448 4.350 -0.000 0.000 0.289 219 T C -2.406 172.150 174.700 -0.241 0.000 1.010 219 T CA -0.434 61.636 62.100 -0.050 0.000 1.161 219 T CB 0.029 68.906 68.868 0.015 0.000 0.989 219 T HN 0.142 nan 8.240 nan 0.000 0.523 220 P HA 0.169 nan 4.420 nan 0.000 0.272 220 P C -0.200 176.515 177.300 -0.975 0.000 1.223 220 P CA -0.455 62.219 63.100 -0.711 0.000 0.784 220 P CB 0.408 31.626 31.700 -0.803 0.000 0.923 221 L N 2.634 123.518 121.223 -0.566 0.000 2.384 221 L HA 0.226 4.566 4.340 -0.000 0.000 0.258 221 L C 0.170 176.879 176.870 -0.270 0.000 1.266 221 L CA -0.299 54.327 54.840 -0.356 0.000 1.162 221 L CB -1.254 40.693 42.059 -0.188 0.000 1.375 221 L HN 0.285 nan 8.230 nan 0.000 0.420 222 F N 0.325 120.249 119.950 -0.043 0.000 2.553 222 F HA 0.089 4.616 4.527 -0.000 0.000 0.356 222 F C 1.598 177.375 175.800 -0.039 0.000 1.142 222 F CA -0.430 57.539 58.000 -0.051 0.000 1.322 222 F CB 0.479 39.426 39.000 -0.089 0.000 1.126 222 F HN 0.350 nan 8.300 nan 0.000 0.599 223 T N 0.358 115.015 114.554 0.172 0.000 2.849 223 T HA 0.266 4.616 4.350 -0.000 0.000 0.284 223 T C 1.154 175.894 174.700 0.068 0.000 1.004 223 T CA -0.889 61.270 62.100 0.099 0.000 1.021 223 T CB 1.038 69.946 68.868 0.066 0.000 1.013 223 T HN 0.645 nan 8.240 nan 0.000 0.527 224 L N 0.286 121.547 121.223 0.064 0.000 2.043 224 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 224 L C 2.494 179.361 176.870 -0.004 0.000 1.075 224 L CA 1.738 56.598 54.840 0.034 0.000 0.752 224 L CB -0.487 41.601 42.059 0.048 0.000 0.891 224 L HN 0.766 nan 8.230 nan 0.000 0.432 225 D N -0.279 120.122 120.400 0.002 0.000 2.084 225 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 225 D C 2.076 178.359 176.300 -0.028 0.000 0.990 225 D CA 1.110 55.103 54.000 -0.012 0.000 0.826 225 D CB -0.033 40.765 40.800 -0.004 0.000 0.971 225 D HN 0.351 nan 8.370 nan 0.000 0.453 226 E N 0.214 120.403 120.200 -0.018 0.000 2.086 226 E HA -0.190 4.160 4.350 -0.000 0.000 0.200 226 E C 2.375 178.904 176.600 -0.118 0.000 1.012 226 E CA 0.800 57.171 56.400 -0.048 0.000 0.812 226 E CB -0.174 29.527 29.700 0.002 0.000 0.743 226 E HN 0.293 nan 8.360 nan 0.000 0.453 227 L N 0.745 121.891 121.223 -0.128 0.000 2.093 227 L HA -0.159 4.180 4.340 -0.000 0.000 0.208 227 L C 2.628 179.411 176.870 -0.146 0.000 1.085 227 L CA 1.038 55.756 54.840 -0.203 0.000 0.755 227 L CB -0.408 41.514 42.059 -0.227 0.000 0.904 227 L HN 0.060 nan 8.230 nan 0.000 0.435 228 K N 0.687 121.031 120.400 -0.093 0.000 2.032 228 K HA -0.170 4.150 4.320 -0.000 0.000 0.209 228 K C 2.036 178.599 176.600 -0.063 0.000 1.048 228 K CA 1.619 57.865 56.287 -0.069 0.000 0.927 228 K CB -0.364 32.109 32.500 -0.046 0.000 0.712 228 K HN 0.325 nan 8.250 nan 0.000 0.441 229 G N -0.230 108.533 108.800 -0.062 0.000 2.471 229 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 229 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 229 G C 1.317 176.182 174.900 -0.058 0.000 1.125 229 G CA 0.694 45.763 45.100 -0.052 0.000 0.775 229 G HN 0.425 nan 8.290 nan 0.000 0.548 230 A N -0.269 122.500 122.820 -0.085 0.000 2.251 230 A HA 0.331 4.651 4.320 -0.000 0.000 0.209 230 A C 1.169 178.724 177.584 -0.048 0.000 1.187 230 A CA 0.790 52.782 52.037 -0.075 0.000 0.823 230 A CB -0.335 18.589 19.000 -0.126 0.000 0.846 230 A HN 0.368 nan 8.150 nan 0.000 0.486 231 N N -2.285 116.382 118.700 -0.055 0.000 2.925 231 N HA -0.139 4.600 4.740 -0.000 0.000 0.244 231 N C -0.425 175.058 175.510 -0.045 0.000 1.000 231 N CA 0.655 53.682 53.050 -0.037 0.000 0.895 231 N CB -1.474 37.008 38.487 -0.009 0.000 1.119 231 N HN 0.208 nan 8.380 nan 0.000 0.569 232 V N 0.712 120.569 119.914 -0.096 0.000 2.637 232 V HA 0.015 4.135 4.120 -0.000 0.000 0.296 232 V C 1.058 177.084 176.094 -0.114 0.000 1.046 232 V CA 0.668 62.888 62.300 -0.133 0.000 1.066 232 V CB 1.285 32.940 31.823 -0.280 0.000 0.968 232 V HN 0.184 nan 8.190 nan 0.000 0.483 233 D N 2.846 123.188 120.400 -0.097 0.000 2.301 233 D HA 0.271 4.910 4.640 -0.000 0.000 0.206 233 D C 0.116 176.348 176.300 -0.112 0.000 0.979 233 D CA 0.690 54.639 54.000 -0.085 0.000 0.874 233 D CB 0.410 41.177 40.800 -0.054 0.000 0.968 233 D HN 0.456 nan 8.370 nan 0.000 0.510 234 I N 0.712 121.194 120.570 -0.146 0.000 2.499 234 I HA 0.469 4.638 4.170 -0.000 0.000 0.288 234 I C -1.088 174.883 176.117 -0.244 0.000 1.048 234 I CA -1.102 60.097 61.300 -0.168 0.000 1.062 234 I CB 2.186 40.096 38.000 -0.150 0.000 1.238 234 I HN -0.165 nan 8.210 nan 0.000 0.426 235 A N 6.923 129.604 122.820 -0.231 0.000 2.260 235 A HA 0.706 5.026 4.320 -0.000 0.000 0.314 235 A C -1.053 176.236 177.584 -0.492 0.000 1.257 235 A CA -0.371 51.441 52.037 -0.376 0.000 0.871 235 A CB 0.791 19.622 19.000 -0.282 0.000 1.166 235 A HN 0.597 nan 8.150 nan 0.000 0.522 236 L N 3.695 124.543 121.223 -0.624 0.000 2.294 236 L HA 0.590 4.930 4.340 -0.000 0.000 0.283 236 L C -1.597 174.928 176.870 -0.575 0.000 1.015 236 L CA -0.274 54.242 54.840 -0.539 0.000 0.831 236 L CB 0.579 42.306 42.059 -0.552 0.000 1.217 236 L HN 0.580 nan 8.230 nan 0.000 0.420 237 Y N 4.375 124.567 120.300 -0.181 0.000 2.841 237 Y HA 0.237 4.787 4.550 0.000 0.000 0.329 237 Y C 1.428 177.263 175.900 -0.109 0.000 1.062 237 Y CA -0.865 57.153 58.100 -0.138 0.000 1.281 237 Y CB 0.318 38.704 38.460 -0.124 0.000 1.147 237 Y HN 0.765 nan 8.280 nan 0.000 0.521 238 C N -2.507 116.796 119.300 0.004 0.000 2.485 238 C HA 0.057 4.516 4.460 -0.000 0.000 0.277 238 C C 1.424 176.525 174.990 0.184 0.000 1.376 238 C CA 0.380 59.459 59.018 0.102 0.000 1.759 238 C CB -0.979 26.791 27.740 0.050 0.000 1.970 238 C HN 0.827 nan 8.230 nan 0.000 0.509 239 C N 0.422 119.738 119.300 0.026 0.000 3.931 239 C HA 0.416 4.876 4.460 -0.000 0.000 0.378 239 C C 2.797 177.567 174.990 -0.368 0.000 1.554 239 C CA 0.082 58.963 59.018 -0.228 0.000 1.926 239 C CB -0.959 26.593 27.740 -0.313 0.000 2.837 239 C HN 0.671 nan 8.230 nan 0.000 0.701 240 G N 2.104 110.822 108.800 -0.137 0.000 2.553 240 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.218 240 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.218 240 G C 1.869 176.706 174.900 -0.104 0.000 1.195 240 G CA 1.708 46.748 45.100 -0.101 0.000 0.779 240 G HN 0.613 nan 8.290 nan 0.000 0.577 241 A N 0.846 123.629 122.820 -0.062 0.000 1.894 241 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 241 A C 2.322 179.934 177.584 0.048 0.000 1.237 241 A CA 2.500 54.532 52.037 -0.007 0.000 0.660 241 A CB -1.147 17.864 19.000 0.017 0.000 0.835 241 A HN 1.022 nan 8.150 nan 0.000 0.461 242 Y N -1.623 118.709 120.300 0.055 0.000 2.373 242 Y HA 0.067 4.617 4.550 -0.000 0.000 0.293 242 Y C 2.313 178.250 175.900 0.063 0.000 1.129 242 Y CA 1.022 59.156 58.100 0.057 0.000 1.226 242 Y CB -0.252 38.245 38.460 0.062 0.000 1.000 242 Y HN 0.150 nan 8.280 nan 0.000 0.549 243 R N 0.958 121.395 120.500 -0.105 0.000 2.075 243 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 243 R C 2.653 178.998 176.300 0.075 0.000 1.126 243 R CA 1.115 57.226 56.100 0.019 0.000 0.963 243 R CB -0.491 29.774 30.300 -0.058 0.000 0.858 243 R HN 0.541 nan 8.270 nan 0.000 0.435 244 A N 2.005 124.851 122.820 0.044 0.000 1.865 244 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 244 A C 2.261 179.884 177.584 0.065 0.000 1.191 244 A CA 1.987 54.054 52.037 0.049 0.000 0.623 244 A CB -0.596 18.419 19.000 0.025 0.000 0.826 244 A HN 0.414 nan 8.150 nan 0.000 0.444 245 M N -1.231 118.419 119.600 0.083 0.000 2.254 245 M HA -0.069 4.410 4.480 -0.000 0.000 0.265 245 M C 1.505 177.857 176.300 0.087 0.000 1.066 245 M CA 2.186 57.533 55.300 0.079 0.000 1.123 245 M CB -0.986 31.664 32.600 0.084 0.000 1.388 245 M HN 0.421 nan 8.290 nan 0.000 0.425 246 N N 1.193 119.971 118.700 0.131 0.000 2.166 246 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 246 N C 1.913 177.484 175.510 0.101 0.000 1.019 246 N CA 1.206 54.333 53.050 0.129 0.000 0.856 246 N CB -0.076 38.517 38.487 0.176 0.000 0.993 246 N HN 0.441 nan 8.380 nan 0.000 0.426 247 K N 1.181 121.634 120.400 0.089 0.000 2.057 247 K HA -0.042 4.277 4.320 -0.000 0.000 0.206 247 K C 2.081 178.717 176.600 0.060 0.000 1.050 247 K CA 1.006 57.338 56.287 0.074 0.000 0.935 247 K CB -0.052 32.489 32.500 0.069 0.000 0.715 247 K HN 0.082 nan 8.250 nan 0.000 0.439 248 A N 1.121 123.970 122.820 0.048 0.000 1.917 248 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 248 A C 2.300 179.890 177.584 0.010 0.000 1.182 248 A CA 2.105 54.160 52.037 0.030 0.000 0.633 248 A CB -0.819 18.191 19.000 0.018 0.000 0.819 248 A HN 0.493 nan 8.150 nan 0.000 0.448 249 A N -0.682 122.131 122.820 -0.012 0.000 1.873 249 A HA 0.040 4.360 4.320 -0.000 0.000 0.215 249 A C 2.115 179.637 177.584 -0.104 0.000 1.186 249 A CA 1.635 53.602 52.037 -0.116 0.000 0.616 249 A CB -0.641 18.322 19.000 -0.062 0.000 0.823 249 A HN 0.743 nan 8.150 nan 0.000 0.442 250 L N 0.904 122.172 121.223 0.076 0.000 2.042 250 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 250 L C 1.984 178.924 176.870 0.115 0.000 1.076 250 L CA 2.725 57.667 54.840 0.170 0.000 0.749 250 L CB -1.057 41.086 42.059 0.139 0.000 0.893 250 L HN 0.538 nan 8.230 nan 0.000 0.432 251 N N -0.790 117.954 118.700 0.074 0.000 2.084 251 N HA -0.307 4.433 4.740 -0.000 0.000 0.190 251 N C 1.915 177.457 175.510 0.054 0.000 1.030 251 N CA 2.019 55.105 53.050 0.061 0.000 0.849 251 N CB -0.596 37.924 38.487 0.056 0.000 1.012 251 N HN 0.463 nan 8.380 nan 0.000 0.423 252 F N 0.118 120.005 119.950 -0.106 0.000 2.069 252 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 252 F C 1.641 177.395 175.800 -0.076 0.000 1.113 252 F CA 1.586 59.503 58.000 -0.138 0.000 1.214 252 F CB -0.699 38.155 39.000 -0.243 0.000 0.978 252 F HN 0.074 nan 8.300 nan 0.000 0.474 253 Y N 1.013 121.312 120.300 -0.003 0.000 2.165 253 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 253 Y C 2.570 178.373 175.900 -0.160 0.000 1.155 253 Y CA 1.683 59.712 58.100 -0.119 0.000 1.164 253 Y CB -1.285 37.204 38.460 0.048 0.000 0.978 253 Y HN 0.242 nan 8.280 nan 0.000 0.513 254 E N -0.718 119.520 120.200 0.064 0.000 2.051 254 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 254 E C 2.360 178.930 176.600 -0.051 0.000 0.991 254 E CA 1.986 58.395 56.400 0.014 0.000 0.799 254 E CB -0.262 29.457 29.700 0.031 0.000 0.748 254 E HN 0.518 nan 8.360 nan 0.000 0.449 255 T N -0.825 113.672 114.554 -0.094 0.000 2.867 255 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 255 T C 1.970 176.576 174.700 -0.157 0.000 1.057 255 T CA 1.107 63.144 62.100 -0.105 0.000 1.136 255 T CB -0.197 68.620 68.868 -0.084 0.000 0.874 255 T HN -0.039 nan 8.240 nan 0.000 0.466 256 V N 1.222 120.969 119.914 -0.277 0.000 2.453 256 V HA 0.045 4.165 4.120 -0.000 0.000 0.247 256 V C 2.961 178.977 176.094 -0.130 0.000 1.048 256 V CA 1.806 63.947 62.300 -0.264 0.000 1.049 256 V CB -0.691 30.862 31.823 -0.450 0.000 0.672 256 V HN 0.372 nan 8.190 nan 0.000 0.457 257 R N 0.229 120.673 120.500 -0.093 0.000 2.115 257 R HA -0.037 4.302 4.340 -0.000 0.000 0.226 257 R C 2.318 178.595 176.300 -0.039 0.000 1.100 257 R CA 1.370 57.441 56.100 -0.049 0.000 0.980 257 R CB -0.461 29.822 30.300 -0.028 0.000 0.875 257 R HN 0.467 nan 8.270 nan 0.000 0.445 258 R N -0.288 120.187 120.500 -0.042 0.000 2.055 258 R HA -0.043 4.297 4.340 -0.000 0.000 0.226 258 R C 0.716 176.998 176.300 -0.029 0.000 1.135 258 R CA 1.806 57.889 56.100 -0.029 0.000 0.959 258 R CB -0.084 30.201 30.300 -0.025 0.000 0.854 258 R HN 0.136 nan 8.270 nan 0.000 0.431 259 D N -0.980 119.397 120.400 -0.039 0.000 2.323 259 D HA 0.092 4.732 4.640 -0.000 0.000 0.209 259 D C 0.929 177.212 176.300 -0.029 0.000 0.973 259 D CA 1.140 55.121 54.000 -0.032 0.000 0.874 259 D CB 0.341 41.120 40.800 -0.036 0.000 0.930 259 D HN 0.566 nan 8.370 nan 0.000 0.521 260 G N 0.463 109.242 108.800 -0.036 0.000 2.153 260 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.252 260 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.252 260 G C 0.482 175.367 174.900 -0.026 0.000 0.994 260 G CA 0.957 46.040 45.100 -0.028 0.000 0.698 260 G HN 0.617 nan 8.290 nan 0.000 0.521 261 T N -1.836 112.695 114.554 -0.038 0.000 2.827 261 T HA 0.478 4.828 4.350 -0.000 0.000 0.328 261 T C 0.627 175.298 174.700 -0.049 0.000 1.598 261 T CA 0.611 62.695 62.100 -0.027 0.000 1.043 261 T CB 1.162 70.026 68.868 -0.007 0.000 1.447 261 T HN 0.588 nan 8.240 nan 0.000 0.491 262 Q N 2.514 122.303 119.800 -0.019 0.000 2.360 262 Q HA 0.203 4.543 4.340 -0.000 0.000 0.202 262 Q C 1.504 177.528 176.000 0.040 0.000 0.915 262 Q CA -0.005 55.794 55.803 -0.006 0.000 0.943 262 Q CB 0.010 28.835 28.738 0.145 0.000 1.064 262 Q HN 0.734 nan 8.270 nan 0.000 0.511 263 K N 1.279 121.694 120.400 0.025 0.000 2.089 263 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 263 K C 1.884 178.501 176.600 0.028 0.000 1.048 263 K CA 1.749 58.053 56.287 0.028 0.000 0.926 263 K CB -0.231 32.279 32.500 0.016 0.000 0.714 263 K HN 0.314 nan 8.250 nan 0.000 0.448 264 A N 0.464 123.294 122.820 0.017 0.000 2.024 264 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 264 A C 2.102 179.706 177.584 0.033 0.000 1.164 264 A CA 1.913 53.960 52.037 0.017 0.000 0.643 264 A CB -0.456 18.546 19.000 0.004 0.000 0.806 264 A HN 0.498 nan 8.150 nan 0.000 0.451 265 A N -0.404 122.450 122.820 0.056 0.000 2.195 265 A HA 0.267 4.587 4.320 -0.000 0.000 0.210 265 A C 2.077 179.719 177.584 0.097 0.000 1.165 265 A CA 0.955 53.050 52.037 0.097 0.000 0.806 265 A CB -0.793 18.314 19.000 0.179 0.000 0.847 265 A HN 1.093 nan 8.150 nan 0.000 0.482 266 V N -1.800 118.161 119.914 0.079 0.000 2.469 266 V HA -0.108 4.012 4.120 -0.000 0.000 0.251 266 V C -0.332 175.783 176.094 0.035 0.000 1.064 266 V CA 2.104 64.437 62.300 0.055 0.000 1.066 266 V CB -2.010 29.838 31.823 0.042 0.000 0.667 266 V HN 0.345 nan 8.190 nan 0.000 0.461 267 P HA -0.086 nan 4.420 nan 0.000 0.219 267 P C 1.828 179.144 177.300 0.026 0.000 1.146 267 P CA 2.168 65.284 63.100 0.026 0.000 0.808 267 P CB -0.432 31.283 31.700 0.024 0.000 0.779 268 T N -5.186 109.387 114.554 0.032 0.000 3.113 268 T HA 0.137 4.487 4.350 -0.000 0.000 0.256 268 T C 0.778 175.488 174.700 0.016 0.000 1.131 268 T CA 0.184 62.301 62.100 0.027 0.000 1.074 268 T CB -0.652 68.236 68.868 0.035 0.000 0.944 268 T HN -0.017 nan 8.240 nan 0.000 0.516 269 M N 2.326 121.931 119.600 0.009 0.000 2.216 269 M HA 0.298 4.778 4.480 -0.000 0.000 0.356 269 M C 0.176 176.479 176.300 0.004 0.000 1.205 269 M CA -0.588 54.705 55.300 -0.012 0.000 1.122 269 M CB 1.313 33.895 32.600 -0.030 0.000 1.571 269 M HN 0.208 nan 8.290 nan 0.000 0.464 270 Q N 2.502 122.310 119.800 0.014 0.000 2.337 270 Q HA 0.140 4.480 4.340 -0.000 0.000 0.270 270 Q C -0.317 175.692 176.000 0.014 0.000 1.002 270 Q CA -0.383 55.446 55.803 0.043 0.000 0.888 270 Q CB 0.880 29.672 28.738 0.090 0.000 1.222 270 Q HN 0.750 nan 8.270 nan 0.000 0.400 271 T N 1.057 115.622 114.554 0.019 0.000 2.930 271 T HA 0.074 4.424 4.350 -0.000 0.000 0.306 271 T C 1.047 175.712 174.700 -0.058 0.000 1.045 271 T CA -0.403 61.686 62.100 -0.018 0.000 1.134 271 T CB 1.173 70.036 68.868 -0.009 0.000 0.961 271 T HN 0.919 nan 8.240 nan 0.000 0.545 272 R N 1.912 122.338 120.500 -0.122 0.000 2.140 272 R HA -0.253 4.086 4.340 -0.000 0.000 0.250 272 R C 2.344 178.483 176.300 -0.268 0.000 1.150 272 R CA 2.003 57.952 56.100 -0.252 0.000 0.966 272 R CB -1.068 29.061 30.300 -0.284 0.000 0.869 272 R HN 0.893 nan 8.270 nan 0.000 0.445 273 A N 0.255 122.997 122.820 -0.130 0.000 1.930 273 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 273 A C 2.062 179.670 177.584 0.040 0.000 1.175 273 A CA 1.404 53.421 52.037 -0.034 0.000 0.627 273 A CB -0.446 18.550 19.000 -0.006 0.000 0.815 273 A HN 0.583 nan 8.150 nan 0.000 0.443 274 Q N -0.638 119.186 119.800 0.041 0.000 2.083 274 Q HA -0.052 4.288 4.340 -0.000 0.000 0.198 274 Q C 2.049 178.149 176.000 0.167 0.000 0.969 274 Q CA 0.934 56.784 55.803 0.078 0.000 0.838 274 Q CB -0.182 28.641 28.738 0.142 0.000 0.900 274 Q HN 0.641 nan 8.270 nan 0.000 0.436 275 L N 0.028 121.353 121.223 0.169 0.000 1.978 275 L HA -0.272 4.068 4.340 -0.000 0.000 0.218 275 L C 2.243 179.251 176.870 0.229 0.000 1.075 275 L CA 1.846 56.792 54.840 0.177 0.000 0.767 275 L CB -0.624 41.422 42.059 -0.022 0.000 0.890 275 L HN 0.407 nan 8.230 nan 0.000 0.434 276 Y N 0.478 120.750 120.300 -0.047 0.000 2.241 276 Y HA -0.320 4.230 4.550 -0.000 0.000 0.286 276 Y C 2.643 178.477 175.900 -0.111 0.000 1.166 276 Y CA 1.560 59.570 58.100 -0.150 0.000 1.203 276 Y CB -0.741 37.522 38.460 -0.329 0.000 0.977 276 Y HN 0.464 nan 8.280 nan 0.000 0.529 277 D N -1.183 119.301 120.400 0.140 0.000 2.091 277 D HA -0.202 4.438 4.640 -0.000 0.000 0.199 277 D C 1.905 178.262 176.300 0.095 0.000 0.980 277 D CA 1.219 55.280 54.000 0.102 0.000 0.831 277 D CB -0.287 40.502 40.800 -0.018 0.000 0.987 277 D HN 0.274 nan 8.370 nan 0.000 0.460 278 Y N 1.030 121.472 120.300 0.237 0.000 2.224 278 Y HA -0.035 4.515 4.550 -0.000 0.000 0.289 278 Y C 2.495 178.575 175.900 0.300 0.000 1.146 278 Y CA 0.605 58.867 58.100 0.270 0.000 1.182 278 Y CB -0.581 38.080 38.460 0.334 0.000 0.983 278 Y HN -0.007 nan 8.280 nan 0.000 0.524 279 L N -0.714 120.760 121.223 0.419 0.000 2.450 279 L HA -0.069 4.271 4.340 -0.000 0.000 0.224 279 L C 1.620 178.651 176.870 0.268 0.000 1.149 279 L CA 1.050 56.066 54.840 0.293 0.000 0.816 279 L CB -0.965 41.184 42.059 0.150 0.000 0.932 279 L HN 0.452 nan 8.230 nan 0.000 0.449 280 G N -0.801 108.143 108.800 0.240 0.000 2.272 280 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.280 280 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.280 280 G C 0.463 175.535 174.900 0.288 0.000 1.067 280 G CA 0.545 45.781 45.100 0.227 0.000 0.902 280 G HN 0.551 nan 8.290 nan 0.000 0.500 281 Y N -0.426 119.820 120.300 -0.089 0.000 2.200 281 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 281 Y C 2.587 178.386 175.900 -0.168 0.000 1.137 281 Y CA 1.977 59.914 58.100 -0.271 0.000 1.163 281 Y CB -0.105 37.873 38.460 -0.803 0.000 0.988 281 Y HN 0.422 nan 8.280 nan 0.000 0.518 282 Y N 0.259 120.858 120.300 0.498 0.000 2.333 282 Y HA -0.182 4.368 4.550 -0.000 0.000 0.290 282 Y C 2.618 178.622 175.900 0.173 0.000 1.144 282 Y CA 0.592 58.883 58.100 0.318 0.000 1.228 282 Y CB -0.692 37.873 38.460 0.175 0.000 0.985 282 Y HN 0.266 nan 8.280 nan 0.000 0.542 283 A N -0.518 122.439 122.820 0.229 0.000 2.070 283 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 283 A C 1.562 179.084 177.584 -0.103 0.000 1.159 283 A CA 1.288 53.343 52.037 0.029 0.000 0.656 283 A CB -0.941 18.018 19.000 -0.069 0.000 0.800 283 A HN 0.551 nan 8.150 nan 0.000 0.453 284 Y N -0.464 119.807 120.300 -0.048 0.000 2.206 284 Y HA -0.069 4.481 4.550 -0.000 0.000 0.292 284 Y C 2.451 178.313 175.900 -0.063 0.000 1.123 284 Y CA 1.419 59.459 58.100 -0.099 0.000 1.142 284 Y CB -0.450 37.878 38.460 -0.221 0.000 1.006 284 Y HN 0.273 nan 8.280 nan 0.000 0.518 285 E N 0.575 120.850 120.200 0.126 0.000 2.065 285 E HA -0.245 4.105 4.350 -0.000 0.000 0.201 285 E C 1.991 178.633 176.600 0.071 0.000 1.016 285 E CA 1.808 58.273 56.400 0.108 0.000 0.818 285 E CB -0.224 29.580 29.700 0.174 0.000 0.749 285 E HN 0.401 nan 8.360 nan 0.000 0.453 286 E N 0.083 120.317 120.200 0.058 0.000 2.070 286 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 286 E C 1.936 178.512 176.600 -0.040 0.000 1.004 286 E CA 1.655 58.061 56.400 0.010 0.000 0.805 286 E CB -0.094 29.607 29.700 0.002 0.000 0.744 286 E HN -0.014 nan 8.360 nan 0.000 0.451 287 K N 0.278 120.638 120.400 -0.067 0.000 2.032 287 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 287 K C 1.919 178.420 176.600 -0.165 0.000 1.048 287 K CA 1.122 57.335 56.287 -0.124 0.000 0.927 287 K CB -0.307 32.114 32.500 -0.132 0.000 0.712 287 K HN 0.088 nan 8.250 nan 0.000 0.441 288 L N 0.517 121.709 121.223 -0.052 0.000 2.042 288 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 288 L C 2.003 178.859 176.870 -0.023 0.000 1.076 288 L CA 1.524 56.383 54.840 0.031 0.000 0.749 288 L CB -0.512 41.648 42.059 0.168 0.000 0.893 288 L HN 0.375 nan 8.230 nan 0.000 0.432 289 D N -0.610 119.784 120.400 -0.011 0.000 2.097 289 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 289 D C 2.056 178.310 176.300 -0.077 0.000 0.984 289 D CA 1.056 55.052 54.000 -0.007 0.000 0.826 289 D CB -0.043 40.766 40.800 0.014 0.000 0.973 289 D HN 0.344 nan 8.370 nan 0.000 0.460 290 Q N 0.337 120.066 119.800 -0.117 0.000 2.439 290 Q HA -0.092 4.248 4.340 -0.000 0.000 0.211 290 Q C 1.881 177.740 176.000 -0.235 0.000 0.978 290 Q CA 0.513 56.234 55.803 -0.137 0.000 0.897 290 Q CB 0.161 28.829 28.738 -0.115 0.000 0.956 290 Q HN 0.327 nan 8.270 nan 0.000 0.483 291 L N -1.329 119.629 121.223 -0.441 0.000 2.500 291 L HA 0.252 4.592 4.340 -0.000 0.000 0.219 291 L C 0.296 176.800 176.870 -0.611 0.000 1.057 291 L CA 0.060 54.443 54.840 -0.762 0.000 0.854 291 L CB 0.401 41.594 42.059 -1.444 0.000 1.078 291 L HN 0.023 nan 8.230 nan 0.000 0.480 292 F N 0.000 119.951 119.950 0.002 0.000 2.286 292 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 292 F CA 0.000 58.002 58.000 0.003 0.000 1.383 292 F CB 0.000 39.002 39.000 0.003 0.000 1.145 292 F HN 0.000 nan 8.300 nan 0.000 0.574