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 1yey_1_B DATA FIRST_RESID 2 DATA SEQUENCE RTIIALETHD VRFPTSRELD GSDAXNPDPD YSAAYVVLRT DGAEDLAGYG DATA SEQUENCE LVFTIGRGND VQTAAVAALA EHVVGLSVDK VIADLGAFAR RLTNDSQLRW DATA SEQUENCE LGPEKGVXHX AIGAVINAAW DLAARAANKP LWRFIAELTP EQLVDTIDFR DATA SEQUENCE YLSDALTRDE ALAILRDAQP QRAARTATLI EQGYPAYTTS PGWLGYSDEK DATA SEQUENCE LVRLAKEAVA DGFRTIKLKV GANVQDDIRR CRLARAAIGP DIAXAVDANQ DATA SEQUENCE RWDVGPAIDW XRQLAEFDIA WIEEPTSPDD VLGHAAIRQG ITPVPVSTGE DATA SEQUENCE HTQNRVVFKQ LLQAGAVDLI QIDAARVGGV NENLAILLLA AKFGVRVFPH DATA SEQUENCE AGGVGLCELV QHLAXADFVA ITGKXEDRAI EFVDHLHQHF LDPVRIQHGR DATA SEQUENCE YLAPEVPGFS AEXHPASIAE FSYPDGRFWV E 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 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.289 176.300 -0.019 0.000 0.893 2 R CA 0.000 56.089 56.100 -0.018 0.000 0.921 2 R CB 0.000 30.284 30.300 -0.026 0.000 0.687 3 T N 2.822 117.366 114.554 -0.016 0.000 2.907 3 T HA 0.518 4.868 4.350 -0.000 0.000 0.292 3 T C 0.011 174.702 174.700 -0.016 0.000 1.043 3 T CA -0.686 61.406 62.100 -0.012 0.000 1.003 3 T CB 1.645 70.511 68.868 -0.004 0.000 1.084 3 T HN 0.320 nan 8.240 nan 0.000 0.483 4 I N 3.383 123.947 120.570 -0.010 0.000 2.308 4 I HA 0.206 4.376 4.170 -0.000 0.000 0.293 4 I C 1.578 177.693 176.117 -0.004 0.000 1.078 4 I CA -0.125 61.167 61.300 -0.013 0.000 1.292 4 I CB 0.541 38.542 38.000 0.002 0.000 1.423 4 I HN 0.673 nan 8.210 nan 0.000 0.493 5 I N 3.367 123.931 120.570 -0.010 0.000 3.226 5 I HA 0.440 4.610 4.170 -0.000 0.000 0.277 5 I C 0.790 176.905 176.117 -0.004 0.000 1.243 5 I CA 0.213 61.510 61.300 -0.005 0.000 1.459 5 I CB 0.133 38.130 38.000 -0.005 0.000 1.093 5 I HN 0.508 nan 8.210 nan 0.000 0.453 6 A N 1.314 124.128 122.820 -0.010 0.000 2.605 6 A HA 0.686 5.006 4.320 -0.000 0.000 0.294 6 A C -1.820 175.753 177.584 -0.018 0.000 1.062 6 A CA -0.520 51.511 52.037 -0.010 0.000 0.682 6 A CB 1.524 20.519 19.000 -0.009 0.000 1.278 6 A HN 0.207 nan 8.150 nan 0.000 0.410 7 L N 1.847 123.062 121.223 -0.014 0.000 2.366 7 L HA 0.510 4.850 4.340 -0.000 0.000 0.266 7 L C 0.022 176.870 176.870 -0.036 0.000 1.010 7 L CA -0.048 54.780 54.840 -0.021 0.000 0.879 7 L CB 0.810 42.874 42.059 0.007 0.000 1.228 7 L HN 0.755 nan 8.230 nan 0.000 0.439 8 E N 1.968 122.138 120.200 -0.050 0.000 2.266 8 E HA 0.679 5.029 4.350 -0.000 0.000 0.277 8 E C -0.853 175.689 176.600 -0.097 0.000 1.018 8 E CA -0.699 55.657 56.400 -0.075 0.000 0.840 8 E CB 1.318 31.003 29.700 -0.024 0.000 1.082 8 E HN 0.502 nan 8.360 nan 0.000 0.395 9 T N 0.335 114.772 114.554 -0.194 0.000 2.893 9 T HA 0.510 4.860 4.350 -0.000 0.000 0.293 9 T C -1.027 173.500 174.700 -0.288 0.000 1.027 9 T CA -0.958 61.070 62.100 -0.120 0.000 0.988 9 T CB 1.112 69.951 68.868 -0.049 0.000 1.043 9 T HN 0.575 nan 8.240 nan 0.000 0.461 10 H N 0.320 119.475 119.070 0.142 0.000 2.679 10 H HA 0.531 5.087 4.556 -0.000 0.000 0.360 10 H C -1.158 174.253 175.328 0.138 0.000 1.105 10 H CA -0.709 55.436 56.048 0.162 0.000 1.196 10 H CB 1.618 31.525 29.762 0.242 0.000 1.636 10 H HN 0.642 nan 8.280 nan 0.000 0.531 11 D N 3.291 123.816 120.400 0.208 0.000 2.422 11 D HA 0.165 4.805 4.640 -0.000 0.000 0.227 11 D C -0.808 175.568 176.300 0.127 0.000 1.190 11 D CA -0.190 53.890 54.000 0.133 0.000 0.905 11 D CB 0.314 41.191 40.800 0.127 0.000 1.034 11 D HN 0.218 nan 8.370 nan 0.000 0.507 12 V N 5.930 125.879 119.914 0.057 0.000 2.384 12 V HA 0.506 4.626 4.120 -0.000 0.000 0.287 12 V C 0.244 176.195 176.094 -0.238 0.000 1.020 12 V CA -0.810 61.449 62.300 -0.069 0.000 0.850 12 V CB 1.313 33.045 31.823 -0.152 0.000 0.987 12 V HN 0.436 nan 8.190 nan 0.000 0.436 13 R N 3.935 124.295 120.500 -0.233 0.000 2.574 13 R HA 0.648 4.988 4.340 -0.000 0.000 0.288 13 R C -1.830 174.395 176.300 -0.124 0.000 1.004 13 R CA -0.581 55.371 56.100 -0.247 0.000 0.895 13 R CB 1.676 31.800 30.300 -0.293 0.000 1.191 13 R HN 0.407 nan 8.270 nan 0.000 0.444 14 F N 2.603 122.596 119.950 0.073 0.000 2.421 14 F HA 0.372 4.899 4.527 -0.000 0.000 0.337 14 F C -1.458 174.383 175.800 0.067 0.000 1.105 14 F CA -2.779 55.126 58.000 -0.159 0.000 1.049 14 F CB 1.555 40.310 39.000 -0.409 0.000 1.139 14 F HN 0.347 nan 8.300 nan 0.000 0.479 15 P HA 0.018 nan 4.420 nan 0.000 0.228 15 P C 0.853 178.206 177.300 0.089 0.000 1.748 15 P CA 0.178 63.437 63.100 0.265 0.000 0.909 15 P CB -0.600 31.244 31.700 0.240 0.000 1.882 16 T N -3.046 111.512 114.554 0.007 0.000 2.977 16 T HA -0.148 4.202 4.350 -0.000 0.000 0.271 16 T C 1.820 176.420 174.700 -0.167 0.000 1.105 16 T CA 1.427 63.436 62.100 -0.152 0.000 1.116 16 T CB -0.950 67.664 68.868 -0.424 0.000 0.878 16 T HN 0.271 nan 8.240 nan 0.000 0.509 17 S N 1.736 117.384 115.700 -0.086 0.000 2.469 17 S HA -0.042 4.428 4.470 -0.000 0.000 0.238 17 S C 1.727 176.312 174.600 -0.026 0.000 0.998 17 S CA 0.076 58.232 58.200 -0.073 0.000 0.957 17 S CB -0.589 62.601 63.200 -0.017 0.000 0.764 17 S HN 0.616 nan 8.310 nan 0.000 0.514 18 R N 0.536 121.045 120.500 0.015 0.000 2.547 18 R HA 0.301 4.641 4.340 -0.000 0.000 0.258 18 R C 0.304 176.616 176.300 0.020 0.000 1.115 18 R CA 0.248 56.372 56.100 0.040 0.000 1.152 18 R CB 0.002 30.356 30.300 0.090 0.000 1.221 18 R HN 0.384 nan 8.270 nan 0.000 0.539 19 E N -0.682 119.511 120.200 -0.012 0.000 2.653 19 E HA 0.184 4.534 4.350 -0.000 0.000 0.218 19 E C 0.012 176.615 176.600 0.006 0.000 0.911 19 E CA -0.126 56.275 56.400 0.001 0.000 1.355 19 E CB 0.551 30.244 29.700 -0.012 0.000 1.314 19 E HN 0.077 nan 8.360 nan 0.000 0.686 20 L N 2.207 123.401 121.223 -0.048 0.000 3.905 20 L HA -0.244 4.096 4.340 -0.000 0.000 0.437 20 L C -0.668 176.144 176.870 -0.097 0.000 1.152 20 L CA 1.140 55.938 54.840 -0.070 0.000 0.935 20 L CB -0.990 41.068 42.059 -0.001 0.000 1.841 20 L HN 0.309 nan 8.230 nan 0.000 0.998 21 D N -0.780 119.511 120.400 -0.182 0.000 2.863 21 D HA 0.449 5.089 4.640 -0.000 0.000 0.323 21 D C 0.979 176.627 176.300 -1.086 0.000 1.286 21 D CA 0.355 54.178 54.000 -0.295 0.000 0.921 21 D CB 0.829 41.762 40.800 0.220 0.000 1.024 21 D HN 0.205 nan 8.370 nan 0.000 0.505 22 G N -0.673 107.386 108.800 -1.235 0.000 3.894 22 G HA2 0.007 3.967 3.960 -0.000 0.000 0.179 22 G HA3 0.007 3.967 3.960 -0.000 0.000 0.179 22 G C 0.235 174.635 174.900 -0.833 0.000 1.083 22 G CA -0.382 43.667 45.100 -1.751 0.000 0.841 22 G HN 0.252 nan 8.290 nan 0.000 0.598 23 S N 1.389 116.838 115.700 -0.419 0.000 2.563 23 S HA 0.452 4.922 4.470 -0.000 0.000 0.284 23 S C 0.000 174.641 174.600 0.068 0.000 1.331 23 S CA 0.813 58.941 58.200 -0.121 0.000 1.047 23 S CB 0.964 64.110 63.200 -0.090 0.000 0.859 23 S HN 0.720 nan 8.310 nan 0.000 0.514 24 D N -0.245 120.187 120.400 0.053 0.000 2.626 24 D HA 0.678 5.318 4.640 -0.000 0.000 0.278 24 D C -0.260 176.037 176.300 -0.005 0.000 1.211 24 D CA -0.764 53.274 54.000 0.063 0.000 0.903 24 D CB 0.502 41.362 40.800 0.100 0.000 1.408 24 D HN 0.556 nan 8.370 nan 0.000 0.454 28 P HA 0.256 nan 4.420 nan 0.000 0.283 28 P C -0.139 177.138 177.300 -0.038 0.000 1.271 28 P CA 0.091 63.174 63.100 -0.029 0.000 0.841 28 P CB 1.038 32.728 31.700 -0.016 0.000 1.122 29 D N -1.254 119.114 120.400 -0.054 0.000 2.692 29 D HA -0.135 4.505 4.640 -0.000 0.000 0.233 29 D C -2.104 174.163 176.300 -0.055 0.000 1.172 29 D CA 0.106 54.073 54.000 -0.055 0.000 0.636 29 D CB -2.073 38.712 40.800 -0.026 0.000 1.028 29 D HN 0.287 nan 8.370 nan 0.000 0.419 30 P HA 0.335 nan 4.420 nan 0.000 0.279 30 P C -0.767 176.515 177.300 -0.030 0.000 1.239 30 P CA -0.125 62.966 63.100 -0.015 0.000 0.789 30 P CB 0.690 32.432 31.700 0.071 0.000 0.933 31 D N 1.956 122.373 120.400 0.029 0.000 2.485 31 D HA 0.178 4.818 4.640 -0.000 0.000 0.229 31 D C -0.123 176.300 176.300 0.205 0.000 1.101 31 D CA -0.294 53.742 54.000 0.059 0.000 0.906 31 D CB -0.268 40.544 40.800 0.021 0.000 1.019 31 D HN 0.312 nan 8.370 nan 0.000 0.516 32 Y N 1.581 121.940 120.300 0.099 0.000 2.865 32 Y HA -0.049 4.501 4.550 -0.000 0.000 0.338 32 Y C 0.819 176.868 175.900 0.249 0.000 1.269 32 Y CA -0.093 58.168 58.100 0.268 0.000 1.585 32 Y CB 0.233 38.859 38.460 0.276 0.000 1.224 32 Y HN 0.268 nan 8.280 nan 0.000 0.554 33 S N 1.641 117.496 115.700 0.260 0.000 2.667 33 S HA 0.887 5.357 4.470 -0.000 0.000 0.292 33 S C -0.957 173.722 174.600 0.131 0.000 1.126 33 S CA -0.881 57.368 58.200 0.082 0.000 0.881 33 S CB 2.141 65.283 63.200 -0.098 0.000 1.132 33 S HN 0.712 nan 8.310 nan 0.000 0.492 34 A N 0.557 123.423 122.820 0.076 0.000 2.488 34 A HA 0.777 5.097 4.320 -0.000 0.000 0.295 34 A C -0.858 176.802 177.584 0.126 0.000 1.045 34 A CA -0.577 51.550 52.037 0.150 0.000 0.703 34 A CB 1.068 20.217 19.000 0.248 0.000 1.271 34 A HN 1.143 nan 8.150 nan 0.000 0.400 35 A N 1.940 124.836 122.820 0.127 0.000 2.506 35 A HA 0.524 4.844 4.320 -0.000 0.000 0.320 35 A C -0.627 177.092 177.584 0.226 0.000 1.424 35 A CA -0.179 51.936 52.037 0.130 0.000 1.044 35 A CB -0.538 18.501 19.000 0.066 0.000 1.140 35 A HN 1.111 nan 8.150 nan 0.000 0.538 36 Y N 3.224 123.602 120.300 0.130 0.000 2.359 36 Y HA 0.439 4.989 4.550 -0.000 0.000 0.334 36 Y C -0.300 175.718 175.900 0.197 0.000 1.058 36 Y CA -0.329 57.875 58.100 0.173 0.000 1.244 36 Y CB 0.862 39.429 38.460 0.179 0.000 1.187 36 Y HN 0.400 nan 8.280 nan 0.000 0.510 37 V N 6.729 126.542 119.914 -0.168 0.000 2.555 37 V HA 0.597 4.717 4.120 -0.000 0.000 0.302 37 V C -0.867 175.008 176.094 -0.364 0.000 1.038 37 V CA -1.018 61.169 62.300 -0.188 0.000 0.887 37 V CB 1.667 33.453 31.823 -0.062 0.000 0.991 37 V HN 0.512 nan 8.190 nan 0.000 0.434 38 V N 5.160 124.905 119.914 -0.281 0.000 2.525 38 V HA 0.413 4.533 4.120 -0.000 0.000 0.299 38 V C -0.791 175.150 176.094 -0.256 0.000 1.034 38 V CA -0.539 61.538 62.300 -0.372 0.000 0.863 38 V CB 1.845 33.480 31.823 -0.312 0.000 0.999 38 V HN 0.606 nan 8.190 nan 0.000 0.423 39 L N 6.246 127.292 121.223 -0.295 0.000 2.282 39 L HA 0.500 4.840 4.340 -0.000 0.000 0.287 39 L C 0.421 177.174 176.870 -0.196 0.000 1.075 39 L CA 0.125 54.854 54.840 -0.184 0.000 0.839 39 L CB 0.394 42.359 42.059 -0.157 0.000 1.219 39 L HN 0.484 nan 8.230 nan 0.000 0.434 40 R N 1.732 122.156 120.500 -0.128 0.000 2.357 40 R HA 0.589 4.929 4.340 -0.000 0.000 0.296 40 R C 0.248 176.511 176.300 -0.063 0.000 1.052 40 R CA -0.192 55.852 56.100 -0.094 0.000 0.988 40 R CB 1.275 31.544 30.300 -0.051 0.000 1.025 40 R HN 0.680 nan 8.270 nan 0.000 0.469 41 T N -2.582 111.940 114.554 -0.054 0.000 2.910 41 T HA 0.280 4.630 4.350 -0.000 0.000 0.287 41 T C 0.198 174.885 174.700 -0.021 0.000 1.050 41 T CA -0.821 61.255 62.100 -0.039 0.000 1.011 41 T CB 1.508 70.347 68.868 -0.048 0.000 1.195 41 T HN 0.478 nan 8.240 nan 0.000 0.540 42 D N -0.985 119.405 120.400 -0.016 0.000 2.491 42 D HA 0.334 4.974 4.640 -0.000 0.000 0.228 42 D C 0.844 177.141 176.300 -0.006 0.000 1.183 42 D CA -0.544 53.451 54.000 -0.007 0.000 0.827 42 D CB -0.232 40.565 40.800 -0.005 0.000 0.989 42 D HN 0.751 nan 8.370 nan 0.000 0.494 43 G N -0.311 108.483 108.800 -0.009 0.000 2.890 43 G HA2 0.563 4.523 3.960 -0.000 0.000 0.189 43 G HA3 0.563 4.523 3.960 -0.000 0.000 0.189 43 G C -0.299 174.602 174.900 0.002 0.000 1.342 43 G CA -0.521 44.575 45.100 -0.007 0.000 1.026 43 G HN 0.334 nan 8.290 nan 0.000 0.579 44 A N -0.633 122.190 122.820 0.004 0.000 2.561 44 A HA 0.278 4.598 4.320 -0.000 0.000 0.234 44 A C 1.255 178.852 177.584 0.022 0.000 1.055 44 A CA 0.621 52.667 52.037 0.014 0.000 0.756 44 A CB 0.225 19.234 19.000 0.015 0.000 0.986 44 A HN 0.680 nan 8.150 nan 0.000 0.505 45 E N 0.899 121.119 120.200 0.033 0.000 2.396 45 E HA -0.174 4.176 4.350 -0.000 0.000 0.200 45 E C 1.133 177.774 176.600 0.068 0.000 1.023 45 E CA 1.599 58.028 56.400 0.047 0.000 0.857 45 E CB -0.020 29.713 29.700 0.055 0.000 0.775 45 E HN 0.735 nan 8.360 nan 0.000 0.525 46 D N -0.703 119.733 120.400 0.060 0.000 2.224 46 D HA -0.091 4.549 4.640 -0.000 0.000 0.205 46 D C 0.074 176.418 176.300 0.073 0.000 0.965 46 D CA 0.207 54.252 54.000 0.075 0.000 0.852 46 D CB 0.068 40.900 40.800 0.053 0.000 0.947 46 D HN 0.147 nan 8.370 nan 0.000 0.494 47 L N 1.326 122.570 121.223 0.035 0.000 2.334 47 L HA 0.520 4.860 4.340 -0.000 0.000 0.286 47 L C -0.690 176.164 176.870 -0.026 0.000 1.108 47 L CA 0.035 54.876 54.840 0.002 0.000 0.875 47 L CB -0.493 41.555 42.059 -0.018 0.000 1.246 47 L HN -0.024 nan 8.230 nan 0.000 0.439 48 A N 3.292 126.087 122.820 -0.041 0.000 2.612 48 A HA 0.771 5.091 4.320 -0.000 0.000 0.293 48 A C -0.521 176.921 177.584 -0.237 0.000 1.075 48 A CA -0.182 51.746 52.037 -0.181 0.000 0.680 48 A CB 1.376 20.213 19.000 -0.270 0.000 1.279 48 A HN 0.671 nan 8.150 nan 0.000 0.411 49 G N -0.244 108.342 108.800 -0.357 0.000 2.416 49 G HA2 0.606 4.566 3.960 -0.000 0.000 0.324 49 G HA3 0.606 4.566 3.960 -0.000 0.000 0.324 49 G C -1.422 173.237 174.900 -0.402 0.000 1.194 49 G CA -0.258 44.700 45.100 -0.235 0.000 0.922 49 G HN 0.481 nan 8.290 nan 0.000 0.467 50 Y N 0.505 120.815 120.300 0.016 0.000 2.429 50 Y HA 0.734 5.284 4.550 -0.000 0.000 0.342 50 Y C 0.763 176.669 175.900 0.009 0.000 1.004 50 Y CA -0.283 57.807 58.100 -0.016 0.000 1.075 50 Y CB 2.851 41.359 38.460 0.081 0.000 1.214 50 Y HN 0.839 nan 8.280 nan 0.000 0.455 51 G N 1.918 110.777 108.800 0.098 0.000 2.645 51 G HA2 0.753 4.713 3.960 -0.000 0.000 0.292 51 G HA3 0.753 4.713 3.960 -0.000 0.000 0.292 51 G C -1.967 173.010 174.900 0.127 0.000 1.415 51 G CA -0.994 44.146 45.100 0.067 0.000 0.785 51 G HN 0.848 nan 8.290 nan 0.000 0.483 52 L N -2.559 118.732 121.223 0.115 0.000 2.794 52 L HA 0.824 5.164 4.340 -0.000 0.000 0.261 52 L C -1.744 175.200 176.870 0.123 0.000 0.989 52 L CA -1.193 53.760 54.840 0.188 0.000 0.900 52 L CB 1.494 43.762 42.059 0.348 0.000 1.473 52 L HN 0.465 nan 8.230 nan 0.000 0.414 53 V N 2.103 122.093 119.914 0.126 0.000 2.398 53 V HA 0.396 4.516 4.120 -0.000 0.000 0.286 53 V C -0.450 175.728 176.094 0.140 0.000 1.026 53 V CA -0.255 62.100 62.300 0.092 0.000 0.868 53 V CB 1.455 33.298 31.823 0.033 0.000 0.982 53 V HN 0.591 nan 8.190 nan 0.000 0.443 54 F N 4.674 124.629 119.950 0.009 0.000 2.445 54 F HA 0.590 5.117 4.527 -0.000 0.000 0.359 54 F C 0.423 176.212 175.800 -0.019 0.000 1.101 54 F CA 0.320 58.318 58.000 -0.003 0.000 1.177 54 F CB 0.791 39.775 39.000 -0.026 0.000 1.110 54 F HN 0.533 nan 8.300 nan 0.000 0.522 55 T N 6.844 120.968 114.554 -0.717 0.000 2.905 55 T HA 0.455 4.805 4.350 -0.000 0.000 0.283 55 T C 0.457 174.616 174.700 -0.901 0.000 1.031 55 T CA -0.514 61.187 62.100 -0.665 0.000 1.002 55 T CB 1.612 70.299 68.868 -0.302 0.000 1.200 55 T HN 0.667 nan 8.240 nan 0.000 0.560 56 I N 0.270 120.546 120.570 -0.491 0.000 3.947 56 I HA 0.386 4.556 4.170 -0.000 0.000 0.327 56 I C 0.943 176.979 176.117 -0.134 0.000 1.519 56 I CA 0.252 61.386 61.300 -0.277 0.000 1.122 56 I CB -0.258 37.627 38.000 -0.193 0.000 1.146 56 I HN 0.943 nan 8.210 nan 0.000 0.442 57 G N 1.112 109.806 108.800 -0.178 0.000 1.844 57 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.177 57 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.177 57 G C -0.404 174.357 174.900 -0.231 0.000 1.010 57 G CA -0.856 44.130 45.100 -0.190 0.000 1.257 57 G HN 0.148 nan 8.290 nan 0.000 0.428 58 R N 1.246 121.632 120.500 -0.189 0.000 2.679 58 R HA 0.398 4.738 4.340 -0.000 0.000 0.268 58 R C 1.467 177.677 176.300 -0.149 0.000 1.044 58 R CA 1.292 57.289 56.100 -0.172 0.000 1.105 58 R CB 0.252 30.480 30.300 -0.120 0.000 0.989 58 R HN 2.144 nan 8.270 nan 0.000 0.447 59 G N 1.548 110.270 108.800 -0.130 0.000 2.199 59 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.254 59 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.254 59 G C 0.806 175.640 174.900 -0.110 0.000 0.982 59 G CA 0.558 45.596 45.100 -0.105 0.000 0.632 59 G HN 0.680 nan 8.290 nan 0.000 0.529 60 N N 1.560 120.173 118.700 -0.144 0.000 2.309 60 N HA -0.051 4.689 4.740 -0.000 0.000 0.182 60 N C 1.927 177.392 175.510 -0.074 0.000 1.018 60 N CA 1.971 54.946 53.050 -0.126 0.000 0.876 60 N CB -0.158 38.228 38.487 -0.168 0.000 0.972 60 N HN 0.636 nan 8.380 nan 0.000 0.434 61 D N -0.207 120.153 120.400 -0.068 0.000 2.149 61 D HA -0.127 4.513 4.640 -0.000 0.000 0.201 61 D C 2.002 178.294 176.300 -0.013 0.000 0.972 61 D CA 1.397 55.389 54.000 -0.014 0.000 0.835 61 D CB -0.843 39.967 40.800 0.017 0.000 0.966 61 D HN 0.291 nan 8.370 nan 0.000 0.476 62 V N -1.096 118.802 119.914 -0.028 0.000 2.453 62 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 62 V C 2.547 178.629 176.094 -0.021 0.000 1.048 62 V CA 1.581 63.868 62.300 -0.021 0.000 1.049 62 V CB -1.066 30.741 31.823 -0.027 0.000 0.672 62 V HN 0.020 nan 8.190 nan 0.000 0.457 63 Q N 1.305 121.085 119.800 -0.033 0.000 2.124 63 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 63 Q C 2.153 178.148 176.000 -0.009 0.000 0.977 63 Q CA 2.692 58.478 55.803 -0.029 0.000 0.850 63 Q CB -0.982 27.727 28.738 -0.048 0.000 0.901 63 Q HN 0.710 nan 8.270 nan 0.000 0.429 64 T N -0.069 114.484 114.554 -0.001 0.000 2.857 64 T HA -0.011 4.339 4.350 -0.000 0.000 0.266 64 T C 1.678 176.383 174.700 0.008 0.000 1.048 64 T CA 1.128 63.237 62.100 0.016 0.000 1.139 64 T CB -0.454 68.431 68.868 0.028 0.000 0.874 64 T HN 0.442 nan 8.240 nan 0.000 0.455 65 A N 1.424 124.247 122.820 0.004 0.000 1.933 65 A HA 0.194 4.514 4.320 -0.000 0.000 0.218 65 A C 2.611 180.199 177.584 0.006 0.000 1.175 65 A CA 1.698 53.737 52.037 0.004 0.000 0.628 65 A CB -0.988 18.015 19.000 0.004 0.000 0.814 65 A HN 0.491 nan 8.150 nan 0.000 0.444 66 A N -0.441 122.381 122.820 0.004 0.000 1.877 66 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 66 A C 2.226 179.813 177.584 0.005 0.000 1.186 66 A CA 1.847 53.887 52.037 0.005 0.000 0.620 66 A CB -0.949 18.051 19.000 -0.000 0.000 0.822 66 A HN 0.393 nan 8.150 nan 0.000 0.443 67 V N -0.118 119.799 119.914 0.005 0.000 2.295 67 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 67 V C 3.042 179.142 176.094 0.010 0.000 1.049 67 V CA 1.913 64.217 62.300 0.007 0.000 1.024 67 V CB -1.276 30.555 31.823 0.013 0.000 0.648 67 V HN 0.610 nan 8.190 nan 0.000 0.447 68 A N 0.060 122.884 122.820 0.007 0.000 2.019 68 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 68 A C 2.318 179.915 177.584 0.022 0.000 1.164 68 A CA 1.820 53.861 52.037 0.006 0.000 0.644 68 A CB -0.649 18.348 19.000 -0.005 0.000 0.805 68 A HN 0.601 nan 8.150 nan 0.000 0.449 69 A N -0.634 122.203 122.820 0.027 0.000 2.172 69 A HA 0.152 4.472 4.320 -0.000 0.000 0.216 69 A C 1.773 179.411 177.584 0.090 0.000 1.154 69 A CA 0.954 53.021 52.037 0.049 0.000 0.701 69 A CB -0.453 18.572 19.000 0.042 0.000 0.789 69 A HN 0.481 nan 8.150 nan 0.000 0.465 70 L N -1.250 120.013 121.223 0.067 0.000 2.591 70 L HA 0.074 4.414 4.340 -0.000 0.000 0.228 70 L C 2.661 179.618 176.870 0.144 0.000 1.133 70 L CA 0.337 55.231 54.840 0.090 0.000 0.880 70 L CB -0.362 41.688 42.059 -0.014 0.000 1.033 70 L HN 0.406 nan 8.230 nan 0.000 0.450 71 A N 0.797 123.675 122.820 0.097 0.000 1.873 71 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 71 A C 2.148 179.777 177.584 0.075 0.000 1.193 71 A CA 1.826 53.906 52.037 0.071 0.000 0.629 71 A CB -0.377 18.645 19.000 0.036 0.000 0.826 71 A HN 0.453 nan 8.150 nan 0.000 0.447 72 E N -1.080 119.155 120.200 0.058 0.000 2.209 72 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 72 E C 1.765 178.337 176.600 -0.045 0.000 0.993 72 E CA 1.106 57.497 56.400 -0.016 0.000 0.819 72 E CB -0.308 29.345 29.700 -0.079 0.000 0.745 72 E HN 0.756 nan 8.360 nan 0.000 0.477 73 H N -0.864 118.201 119.070 -0.007 0.000 2.495 73 H HA -0.009 4.547 4.556 -0.000 0.000 0.287 73 H C 1.853 177.178 175.328 -0.005 0.000 1.033 73 H CA 0.865 56.898 56.048 -0.025 0.000 1.307 73 H CB 0.654 30.382 29.762 -0.057 0.000 1.401 73 H HN 0.059 nan 8.280 nan 0.000 0.555 74 V N 0.668 120.673 119.914 0.151 0.000 3.013 74 V HA -0.036 4.084 4.120 -0.000 0.000 0.238 74 V C 0.977 177.136 176.094 0.109 0.000 1.161 74 V CA 0.387 62.785 62.300 0.163 0.000 1.170 74 V CB 0.672 32.622 31.823 0.210 0.000 0.917 74 V HN 0.145 nan 8.190 nan 0.000 0.478 75 V N 0.877 120.832 119.914 0.068 0.000 2.617 75 V HA 0.581 4.701 4.120 -0.000 0.000 0.304 75 V C 1.197 177.309 176.094 0.030 0.000 1.040 75 V CA 0.874 63.197 62.300 0.038 0.000 1.149 75 V CB -0.229 31.607 31.823 0.021 0.000 0.914 75 V HN 0.866 nan 8.190 nan 0.000 0.487 76 G N 2.982 111.796 108.800 0.024 0.000 2.213 76 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.226 76 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.226 76 G C 0.013 174.928 174.900 0.025 0.000 0.992 76 G CA -0.001 45.109 45.100 0.017 0.000 0.632 76 G HN 0.895 nan 8.290 nan 0.000 0.511 77 L N 1.762 123.011 121.223 0.045 0.000 2.439 77 L HA 0.489 4.829 4.340 -0.000 0.000 0.269 77 L C 1.316 178.204 176.870 0.030 0.000 1.179 77 L CA 0.214 55.089 54.840 0.057 0.000 0.828 77 L CB 1.319 43.449 42.059 0.119 0.000 1.106 77 L HN 0.286 nan 8.230 nan 0.000 0.467 78 S N 1.316 117.030 115.700 0.024 0.000 2.505 78 S HA 0.120 4.590 4.470 -0.000 0.000 0.276 78 S C 1.125 175.715 174.600 -0.016 0.000 1.274 78 S CA -0.859 57.343 58.200 0.002 0.000 1.053 78 S CB 1.157 64.359 63.200 0.003 0.000 0.919 78 S HN 0.393 nan 8.310 nan 0.000 0.490 79 V N 4.929 124.822 119.914 -0.036 0.000 2.252 79 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 79 V C 2.219 178.266 176.094 -0.078 0.000 1.056 79 V CA 2.302 64.560 62.300 -0.071 0.000 1.022 79 V CB -0.647 31.134 31.823 -0.070 0.000 0.641 79 V HN 0.852 nan 8.190 nan 0.000 0.445 80 D N -0.396 119.973 120.400 -0.053 0.000 2.144 80 D HA -0.207 4.433 4.640 -0.000 0.000 0.199 80 D C 2.170 178.444 176.300 -0.042 0.000 0.984 80 D CA 1.425 55.396 54.000 -0.048 0.000 0.834 80 D CB -0.107 40.675 40.800 -0.030 0.000 0.955 80 D HN 0.449 nan 8.370 nan 0.000 0.465 81 K N 0.958 121.343 120.400 -0.026 0.000 2.148 81 K HA -0.081 4.239 4.320 -0.000 0.000 0.204 81 K C 2.064 178.658 176.600 -0.011 0.000 1.050 81 K CA 0.475 56.758 56.287 -0.007 0.000 0.942 81 K CB 0.232 32.741 32.500 0.015 0.000 0.724 81 K HN -0.086 nan 8.250 nan 0.000 0.446 82 V N 1.255 121.144 119.914 -0.041 0.000 2.244 82 V HA -0.236 3.884 4.120 -0.000 0.000 0.244 82 V C 2.166 178.151 176.094 -0.183 0.000 1.042 82 V CA 1.379 63.618 62.300 -0.101 0.000 1.006 82 V CB -0.346 31.312 31.823 -0.275 0.000 0.641 82 V HN 0.237 nan 8.190 nan 0.000 0.446 83 I N 0.914 121.366 120.570 -0.197 0.000 2.335 83 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 83 I C 2.301 178.343 176.117 -0.126 0.000 1.129 83 I CA 1.675 62.855 61.300 -0.199 0.000 1.402 83 I CB -0.850 37.054 38.000 -0.160 0.000 1.069 83 I HN 0.255 nan 8.210 nan 0.000 0.424 84 A N -1.611 121.160 122.820 -0.082 0.000 2.178 84 A HA 0.039 4.359 4.320 -0.000 0.000 0.211 84 A C 0.822 178.378 177.584 -0.047 0.000 1.157 84 A CA 0.571 52.577 52.037 -0.051 0.000 0.780 84 A CB -0.035 18.946 19.000 -0.030 0.000 0.828 84 A HN 0.287 nan 8.150 nan 0.000 0.476 85 D N -0.413 119.957 120.400 -0.050 0.000 2.472 85 D HA 0.247 4.887 4.640 -0.000 0.000 0.248 85 D C 0.120 176.413 176.300 -0.010 0.000 1.271 85 D CA -0.341 53.650 54.000 -0.015 0.000 0.888 85 D CB 0.718 41.532 40.800 0.023 0.000 1.337 85 D HN -0.033 nan 8.370 nan 0.000 0.526 86 L N 1.593 122.757 121.223 -0.098 0.000 2.313 86 L HA 0.214 4.553 4.340 -0.000 0.000 0.214 86 L C 2.337 179.272 176.870 0.110 0.000 1.119 86 L CA 1.475 56.239 54.840 -0.127 0.000 0.809 86 L CB -0.476 41.217 42.059 -0.610 0.000 0.933 86 L HN 0.481 nan 8.230 nan 0.000 0.449 87 G N -1.476 107.387 108.800 0.105 0.000 2.448 87 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 87 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 87 G C 1.592 176.568 174.900 0.126 0.000 1.135 87 G CA 0.708 45.895 45.100 0.145 0.000 0.784 87 G HN 0.468 nan 8.290 nan 0.000 0.543 88 A N 0.275 123.162 122.820 0.112 0.000 1.935 88 A HA 0.270 4.590 4.320 -0.000 0.000 0.214 88 A C 2.037 179.687 177.584 0.110 0.000 1.178 88 A CA 0.977 53.071 52.037 0.094 0.000 0.640 88 A CB -0.407 18.640 19.000 0.078 0.000 0.825 88 A HN 0.339 nan 8.150 nan 0.000 0.447 89 F N 1.246 121.206 119.950 0.017 0.000 2.171 89 F HA -0.052 4.475 4.527 -0.000 0.000 0.300 89 F C 2.409 178.240 175.800 0.051 0.000 1.090 89 F CA 1.144 59.157 58.000 0.021 0.000 1.293 89 F CB -0.248 38.745 39.000 -0.011 0.000 1.013 89 F HN 0.244 nan 8.300 nan 0.000 0.486 90 A N 0.734 123.653 122.820 0.165 0.000 1.873 90 A HA -0.169 4.151 4.320 -0.000 0.000 0.215 90 A C 2.341 179.921 177.584 -0.007 0.000 1.186 90 A CA 1.634 53.734 52.037 0.106 0.000 0.616 90 A CB -0.776 18.358 19.000 0.224 0.000 0.823 90 A HN 0.420 nan 8.150 nan 0.000 0.442 91 R N -0.874 119.641 120.500 0.024 0.000 2.127 91 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 91 R C 2.478 178.761 176.300 -0.029 0.000 1.134 91 R CA 1.481 57.588 56.100 0.011 0.000 0.975 91 R CB -0.336 29.984 30.300 0.032 0.000 0.865 91 R HN 0.641 nan 8.270 nan 0.000 0.447 92 R N 0.592 121.044 120.500 -0.081 0.000 2.105 92 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 92 R C 1.503 177.744 176.300 -0.098 0.000 1.135 92 R CA 1.382 57.430 56.100 -0.088 0.000 0.967 92 R CB -0.018 30.191 30.300 -0.151 0.000 0.861 92 R HN 0.078 nan 8.270 nan 0.000 0.442 93 L N -0.197 120.912 121.223 -0.190 0.000 2.145 93 L HA 0.046 4.386 4.340 -0.000 0.000 0.201 93 L C 2.347 179.162 176.870 -0.092 0.000 1.075 93 L CA 1.663 56.376 54.840 -0.212 0.000 0.773 93 L CB -1.040 40.857 42.059 -0.271 0.000 0.936 93 L HN 0.095 nan 8.230 nan 0.000 0.451 94 T N 0.137 114.673 114.554 -0.030 0.000 2.833 94 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 94 T C 1.436 176.154 174.700 0.030 0.000 1.054 94 T CA 1.179 63.301 62.100 0.036 0.000 1.135 94 T CB -0.124 68.788 68.868 0.072 0.000 0.869 94 T HN 0.228 nan 8.240 nan 0.000 0.466 95 N N 1.364 120.075 118.700 0.018 0.000 2.336 95 N HA 0.015 4.755 4.740 -0.000 0.000 0.189 95 N C 0.069 175.604 175.510 0.042 0.000 1.113 95 N CA 0.104 53.172 53.050 0.030 0.000 0.858 95 N CB 0.003 38.505 38.487 0.025 0.000 0.970 95 N HN 0.374 nan 8.380 nan 0.000 0.471 96 D N 1.158 121.583 120.400 0.041 0.000 2.348 96 D HA -0.010 4.630 4.640 -0.000 0.000 0.259 96 D C 1.146 177.494 176.300 0.080 0.000 1.296 96 D CA 0.051 54.096 54.000 0.075 0.000 0.931 96 D CB 0.654 41.516 40.800 0.104 0.000 1.067 96 D HN 0.147 nan 8.370 nan 0.000 0.503 97 S N 3.270 119.019 115.700 0.083 0.000 2.420 97 S HA -0.272 4.198 4.470 -0.000 0.000 0.237 97 S C 1.577 176.261 174.600 0.140 0.000 1.023 97 S CA 1.018 59.282 58.200 0.107 0.000 0.991 97 S CB -0.158 63.098 63.200 0.094 0.000 0.792 97 S HN 0.614 nan 8.310 nan 0.000 0.488 98 Q N -0.222 119.644 119.800 0.111 0.000 2.245 98 Q HA 0.170 4.510 4.340 -0.000 0.000 0.201 98 Q C 1.818 177.907 176.000 0.148 0.000 0.955 98 Q CA 0.743 56.615 55.803 0.114 0.000 0.870 98 Q CB -0.170 28.607 28.738 0.065 0.000 0.945 98 Q HN 0.396 nan 8.270 nan 0.000 0.461 99 L N 0.232 121.525 121.223 0.117 0.000 2.131 99 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 99 L C 2.031 178.959 176.870 0.097 0.000 1.087 99 L CA 1.476 56.368 54.840 0.088 0.000 0.767 99 L CB -0.321 41.750 42.059 0.020 0.000 0.917 99 L HN 0.055 nan 8.230 nan 0.000 0.441 100 R N -1.610 118.951 120.500 0.102 0.000 2.105 100 R HA -0.252 4.088 4.340 -0.000 0.000 0.239 100 R C 2.153 178.502 176.300 0.081 0.000 1.135 100 R CA 1.483 57.627 56.100 0.074 0.000 0.967 100 R CB -0.567 29.782 30.300 0.081 0.000 0.861 100 R HN 0.476 nan 8.270 nan 0.000 0.442 101 W N 1.156 122.454 121.300 -0.002 0.000 2.350 101 W HA -0.173 4.487 4.660 0.000 0.000 0.289 101 W C 0.948 177.460 176.519 -0.010 0.000 1.215 101 W CA 1.045 58.387 57.345 -0.005 0.000 1.236 101 W CB 0.058 29.518 29.460 0.000 0.000 1.130 101 W HN 0.085 nan 8.180 nan 0.000 0.541 102 L N 0.215 121.512 121.223 0.124 0.000 2.551 102 L HA 0.062 4.402 4.340 -0.000 0.000 0.228 102 L C 2.012 178.855 176.870 -0.046 0.000 1.153 102 L CA 1.689 56.558 54.840 0.049 0.000 0.851 102 L CB -1.147 40.959 42.059 0.078 0.000 0.959 102 L HN -0.054 nan 8.230 nan 0.000 0.451 103 G N -0.908 107.842 108.800 -0.084 0.000 2.694 103 G HA2 0.288 4.248 3.960 -0.000 0.000 0.212 103 G HA3 0.288 4.248 3.960 -0.000 0.000 0.212 103 G C -2.335 172.453 174.900 -0.187 0.000 2.030 103 G CA 0.100 45.131 45.100 -0.116 0.000 0.731 103 G HN 0.088 nan 8.290 nan 0.000 0.795 104 P HA 0.337 nan 4.420 nan 0.000 0.292 104 P C -0.997 176.166 177.300 -0.229 0.000 1.283 104 P CA -0.031 62.979 63.100 -0.151 0.000 0.835 104 P CB 1.510 33.146 31.700 -0.106 0.000 1.017 105 E N 0.547 120.530 120.200 -0.362 0.000 2.252 105 E HA -0.213 4.137 4.350 -0.000 0.000 0.218 105 E C -0.061 176.216 176.600 -0.537 0.000 1.253 105 E CA 0.774 56.614 56.400 -0.933 0.000 0.705 105 E CB -1.509 27.790 29.700 -0.667 0.000 1.172 105 E HN 0.649 nan 8.360 nan 0.000 0.369 106 K N -1.999 118.288 120.400 -0.189 0.000 2.660 106 K HA 0.592 4.912 4.320 -0.000 0.000 0.285 106 K C 0.225 176.830 176.600 0.008 0.000 0.997 106 K CA -0.581 55.682 56.287 -0.040 0.000 0.861 106 K CB 1.269 33.710 32.500 -0.099 0.000 1.469 106 K HN 0.393 nan 8.250 nan 0.000 0.395 107 G N 0.568 109.360 108.800 -0.013 0.000 2.645 107 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.246 107 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.246 107 G C -0.034 174.860 174.900 -0.009 0.000 1.322 107 G CA -0.336 44.744 45.100 -0.033 0.000 0.898 107 G HN 0.687 nan 8.290 nan 0.000 0.573 113 I N 1.237 121.778 120.570 -0.047 0.000 2.179 113 I HA -0.137 4.033 4.170 -0.000 0.000 0.242 113 I C 2.645 178.739 176.117 -0.040 0.000 1.088 113 I CA 1.616 62.886 61.300 -0.050 0.000 1.357 113 I CB -0.306 37.670 38.000 -0.040 0.000 1.051 113 I HN 0.448 nan 8.210 nan 0.000 0.409 114 G N 0.474 109.199 108.800 -0.125 0.000 2.442 114 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 114 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 114 G C 1.830 176.737 174.900 0.012 0.000 1.141 114 G CA 0.894 45.941 45.100 -0.089 0.000 0.763 114 G HN 0.503 nan 8.290 nan 0.000 0.554 115 A N 0.093 122.919 122.820 0.010 0.000 1.873 115 A HA 0.106 4.426 4.320 -0.000 0.000 0.215 115 A C 2.607 180.240 177.584 0.082 0.000 1.186 115 A CA 1.769 53.828 52.037 0.037 0.000 0.616 115 A CB -0.625 18.392 19.000 0.029 0.000 0.823 115 A HN 0.249 nan 8.150 nan 0.000 0.442 116 V N 0.310 120.283 119.914 0.099 0.000 2.343 116 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 116 V C 2.425 178.698 176.094 0.298 0.000 1.051 116 V CA 1.973 64.374 62.300 0.169 0.000 1.036 116 V CB -0.696 31.228 31.823 0.167 0.000 0.654 116 V HN 0.559 nan 8.190 nan 0.000 0.451 117 I N 0.383 121.150 120.570 0.329 0.000 2.179 117 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 117 I C 2.424 178.819 176.117 0.463 0.000 1.088 117 I CA 1.519 63.102 61.300 0.471 0.000 1.357 117 I CB -0.526 37.697 38.000 0.372 0.000 1.051 117 I HN 0.360 nan 8.210 nan 0.000 0.409 118 N N 1.098 119.994 118.700 0.327 0.000 2.166 118 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 118 N C 1.863 177.609 175.510 0.393 0.000 1.019 118 N CA 1.616 54.903 53.050 0.394 0.000 0.856 118 N CB -0.340 38.248 38.487 0.167 0.000 0.993 118 N HN 0.367 nan 8.380 nan 0.000 0.426 119 A N 0.811 123.760 122.820 0.215 0.000 1.972 119 A HA 0.041 4.361 4.320 -0.000 0.000 0.219 119 A C 2.343 179.961 177.584 0.057 0.000 1.169 119 A CA 1.765 53.874 52.037 0.120 0.000 0.635 119 A CB -0.627 18.387 19.000 0.025 0.000 0.810 119 A HN 0.317 nan 8.150 nan 0.000 0.446 120 A N -1.472 121.358 122.820 0.017 0.000 1.930 120 A HA -0.098 4.222 4.320 -0.000 0.000 0.217 120 A C 1.912 179.393 177.584 -0.173 0.000 1.175 120 A CA 1.300 53.184 52.037 -0.255 0.000 0.627 120 A CB -0.778 17.828 19.000 -0.657 0.000 0.815 120 A HN 0.717 nan 8.150 nan 0.000 0.443 121 W N 0.040 121.291 121.300 -0.083 0.000 2.388 121 W HA -0.038 4.622 4.660 0.000 0.000 0.294 121 W C 1.938 178.333 176.519 -0.206 0.000 1.212 121 W CA 1.226 58.499 57.345 -0.121 0.000 1.271 121 W CB -0.361 29.067 29.460 -0.052 0.000 1.126 121 W HN 0.518 nan 8.180 nan 0.000 0.535 122 D N 0.114 120.638 120.400 0.205 0.000 2.097 122 D HA -0.210 4.430 4.640 -0.000 0.000 0.195 122 D C 2.169 178.441 176.300 -0.047 0.000 0.989 122 D CA 1.424 55.503 54.000 0.132 0.000 0.827 122 D CB -0.447 40.523 40.800 0.283 0.000 0.966 122 D HN 0.052 nan 8.370 nan 0.000 0.456 123 L N -0.042 121.130 121.223 -0.084 0.000 1.990 123 L HA -0.237 4.103 4.340 -0.000 0.000 0.213 123 L C 2.334 179.049 176.870 -0.258 0.000 1.072 123 L CA 1.801 56.546 54.840 -0.159 0.000 0.755 123 L CB -0.552 41.387 42.059 -0.199 0.000 0.889 123 L HN 0.167 nan 8.230 nan 0.000 0.432 124 A N -0.592 121.995 122.820 -0.388 0.000 1.933 124 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 124 A C 2.398 179.449 177.584 -0.889 0.000 1.175 124 A CA 1.672 53.359 52.037 -0.584 0.000 0.628 124 A CB -0.715 17.874 19.000 -0.684 0.000 0.814 124 A HN 0.581 nan 8.150 nan 0.000 0.444 125 A N 0.208 122.482 122.820 -0.910 0.000 1.873 125 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 125 A C 2.235 179.615 177.584 -0.340 0.000 1.186 125 A CA 1.394 52.971 52.037 -0.767 0.000 0.616 125 A CB -0.461 18.269 19.000 -0.449 0.000 0.823 125 A HN 0.514 nan 8.150 nan 0.000 0.442 126 R N -0.061 120.308 120.500 -0.218 0.000 2.083 126 R HA -0.117 4.223 4.340 -0.000 0.000 0.237 126 R C 2.409 178.648 176.300 -0.102 0.000 1.137 126 R CA 1.469 57.509 56.100 -0.099 0.000 0.951 126 R CB -1.184 29.093 30.300 -0.039 0.000 0.851 126 R HN 0.485 nan 8.270 nan 0.000 0.434 127 A N 1.832 124.567 122.820 -0.142 0.000 1.908 127 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 127 A C 2.372 179.915 177.584 -0.069 0.000 1.181 127 A CA 1.871 53.847 52.037 -0.102 0.000 0.627 127 A CB -0.545 18.382 19.000 -0.122 0.000 0.818 127 A HN 0.411 nan 8.150 nan 0.000 0.445 128 A N -1.410 121.357 122.820 -0.089 0.000 2.206 128 A HA 0.106 4.426 4.320 -0.000 0.000 0.211 128 A C 1.015 178.604 177.584 0.009 0.000 1.158 128 A CA 0.740 52.790 52.037 0.022 0.000 0.761 128 A CB -0.565 18.558 19.000 0.204 0.000 0.801 128 A HN 0.634 nan 8.150 nan 0.000 0.473 129 N N -0.640 118.042 118.700 -0.031 0.000 2.738 129 N HA -0.137 4.603 4.740 -0.000 0.000 0.249 129 N C -0.913 174.588 175.510 -0.014 0.000 1.047 129 N CA 1.267 54.306 53.050 -0.017 0.000 0.707 129 N CB -0.852 37.633 38.487 -0.004 0.000 0.937 129 N HN 0.709 nan 8.380 nan 0.000 0.545 130 K N 0.038 120.420 120.400 -0.029 0.000 2.508 130 K HA 0.505 4.825 4.320 -0.000 0.000 0.260 130 K C -2.658 173.903 176.600 -0.065 0.000 0.949 130 K CA -1.512 54.748 56.287 -0.046 0.000 0.834 130 K CB 2.497 34.990 32.500 -0.011 0.000 1.365 130 K HN -0.045 nan 8.250 nan 0.000 0.437 131 P HA 0.003 nan 4.420 nan 0.000 0.275 131 P C 0.576 177.830 177.300 -0.076 0.000 1.227 131 P CA -0.429 62.670 63.100 -0.001 0.000 0.781 131 P CB 0.860 32.606 31.700 0.076 0.000 0.906 132 L N 5.071 126.234 121.223 -0.100 0.000 2.021 132 L HA -0.177 4.163 4.340 -0.000 0.000 0.215 132 L C 2.337 179.270 176.870 0.105 0.000 1.074 132 L CA 2.028 56.777 54.840 -0.151 0.000 0.760 132 L CB -1.652 39.978 42.059 -0.715 0.000 0.889 132 L HN 0.574 nan 8.230 nan 0.000 0.433 133 W N -0.376 121.100 121.300 0.294 0.000 2.325 133 W HA -0.227 4.433 4.660 -0.000 0.000 0.299 133 W C 2.094 178.695 176.519 0.137 0.000 1.215 133 W CA 1.242 58.692 57.345 0.175 0.000 1.244 133 W CB -1.248 28.294 29.460 0.137 0.000 1.140 133 W HN 0.175 nan 8.180 nan 0.000 0.523 134 R N -0.202 119.890 120.500 -0.679 0.000 2.093 134 R HA -0.089 4.251 4.340 -0.000 0.000 0.224 134 R C 2.295 178.481 176.300 -0.191 0.000 1.101 134 R CA 1.498 57.210 56.100 -0.646 0.000 0.979 134 R CB -1.003 28.713 30.300 -0.974 0.000 0.877 134 R HN 0.154 nan 8.270 nan 0.000 0.441 135 F N 1.792 121.613 119.950 -0.216 0.000 2.095 135 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 135 F C 1.961 177.760 175.800 -0.003 0.000 1.104 135 F CA 1.450 59.394 58.000 -0.093 0.000 1.232 135 F CB -0.206 38.757 39.000 -0.062 0.000 0.987 135 F HN -0.116 nan 8.300 nan 0.000 0.475 136 I N 0.081 120.693 120.570 0.069 0.000 2.163 136 I HA -0.259 3.911 4.170 -0.000 0.000 0.240 136 I C 2.659 178.759 176.117 -0.028 0.000 1.081 136 I CA 1.249 62.572 61.300 0.038 0.000 1.353 136 I CB -1.039 37.015 38.000 0.090 0.000 1.054 136 I HN 0.191 nan 8.210 nan 0.000 0.407 137 A N 0.208 123.041 122.820 0.021 0.000 2.070 137 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 137 A C 1.977 179.541 177.584 -0.034 0.000 1.159 137 A CA 1.422 53.477 52.037 0.031 0.000 0.656 137 A CB -0.515 18.564 19.000 0.131 0.000 0.800 137 A HN 0.494 nan 8.150 nan 0.000 0.453 138 E N -0.599 119.542 120.200 -0.098 0.000 2.479 138 E HA 0.220 4.570 4.350 -0.000 0.000 0.193 138 E C -0.351 176.155 176.600 -0.158 0.000 1.049 138 E CA -0.405 55.925 56.400 -0.117 0.000 0.870 138 E CB 0.086 29.711 29.700 -0.124 0.000 0.944 138 E HN 0.552 nan 8.360 nan 0.000 0.492 139 L N 1.722 122.827 121.223 -0.195 0.000 2.436 139 L HA 0.134 4.474 4.340 -0.000 0.000 0.265 139 L C 1.007 177.816 176.870 -0.100 0.000 1.168 139 L CA -0.532 54.188 54.840 -0.199 0.000 0.815 139 L CB 0.584 42.510 42.059 -0.222 0.000 1.109 139 L HN 0.056 nan 8.230 nan 0.000 0.462 140 T N -1.310 113.196 114.554 -0.080 0.000 2.898 140 T HA 0.130 4.480 4.350 -0.000 0.000 0.301 140 T C -1.874 172.813 174.700 -0.022 0.000 1.049 140 T CA -1.461 60.612 62.100 -0.044 0.000 1.095 140 T CB 1.009 69.855 68.868 -0.036 0.000 0.976 140 T HN 0.369 nan 8.240 nan 0.000 0.539 141 P HA -0.111 nan 4.420 nan 0.000 0.217 141 P C 1.149 178.465 177.300 0.026 0.000 1.148 141 P CA 1.090 64.197 63.100 0.011 0.000 0.828 141 P CB 0.082 31.785 31.700 0.006 0.000 0.783 142 E N -0.749 119.460 120.200 0.014 0.000 2.072 142 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 142 E C 2.139 178.759 176.600 0.034 0.000 0.982 142 E CA 1.072 57.486 56.400 0.024 0.000 0.803 142 E CB -0.793 28.912 29.700 0.008 0.000 0.755 142 E HN 0.366 nan 8.360 nan 0.000 0.453 143 Q N -0.124 119.682 119.800 0.010 0.000 2.124 143 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 143 Q C 1.861 177.888 176.000 0.044 0.000 0.977 143 Q CA 0.712 56.519 55.803 0.005 0.000 0.850 143 Q CB -0.039 28.671 28.738 -0.047 0.000 0.901 143 Q HN 0.191 nan 8.270 nan 0.000 0.429 144 L N -0.017 121.238 121.223 0.054 0.000 1.976 144 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 144 L C 2.368 179.319 176.870 0.134 0.000 1.071 144 L CA 1.437 56.336 54.840 0.100 0.000 0.746 144 L CB -1.279 40.823 42.059 0.071 0.000 0.890 144 L HN 0.124 nan 8.230 nan 0.000 0.432 145 V N 0.184 120.187 119.914 0.148 0.000 2.453 145 V HA -0.284 3.836 4.120 -0.000 0.000 0.252 145 V C 2.125 178.382 176.094 0.273 0.000 1.068 145 V CA 1.629 64.081 62.300 0.253 0.000 1.070 145 V CB -0.577 31.397 31.823 0.252 0.000 0.664 145 V HN 0.415 nan 8.190 nan 0.000 0.461 146 D N 0.106 120.612 120.400 0.176 0.000 2.264 146 D HA -0.108 4.532 4.640 -0.000 0.000 0.208 146 D C 2.296 178.685 176.300 0.148 0.000 0.966 146 D CA 1.739 55.831 54.000 0.154 0.000 0.864 146 D CB -0.117 40.739 40.800 0.092 0.000 0.933 146 D HN 0.668 nan 8.370 nan 0.000 0.499 147 T N -1.285 113.364 114.554 0.158 0.000 3.067 147 T HA 0.007 4.357 4.350 -0.000 0.000 0.261 147 T C 1.007 175.788 174.700 0.135 0.000 1.110 147 T CA -0.335 61.883 62.100 0.196 0.000 1.113 147 T CB -0.156 68.932 68.868 0.367 0.000 0.917 147 T HN 0.104 nan 8.240 nan 0.000 0.499 148 I N 0.814 121.398 120.570 0.024 0.000 2.440 148 I HA 0.549 4.719 4.170 -0.000 0.000 0.294 148 I C -0.761 175.191 176.117 -0.275 0.000 0.995 148 I CA -0.876 60.306 61.300 -0.198 0.000 1.306 148 I CB 1.229 38.950 38.000 -0.464 0.000 1.407 148 I HN -0.168 nan 8.210 nan 0.000 0.501 149 D N 5.552 125.815 120.400 -0.228 0.000 2.411 149 D HA 0.178 4.818 4.640 -0.000 0.000 0.225 149 D C 0.142 176.324 176.300 -0.198 0.000 1.156 149 D CA -0.036 53.893 54.000 -0.117 0.000 0.874 149 D CB 0.036 40.821 40.800 -0.024 0.000 1.034 149 D HN 0.526 nan 8.370 nan 0.000 0.502 150 F N 1.737 121.698 119.950 0.018 0.000 2.811 150 F HA 0.105 4.632 4.527 -0.000 0.000 0.301 150 F C 1.743 177.530 175.800 -0.020 0.000 1.151 150 F CA -0.163 57.846 58.000 0.015 0.000 1.412 150 F CB -0.071 38.938 39.000 0.015 0.000 1.113 150 F HN 0.160 nan 8.300 nan 0.000 0.579 151 R N 0.397 120.916 120.500 0.032 0.000 2.570 151 R HA -0.110 4.230 4.340 -0.000 0.000 0.277 151 R C -0.201 176.009 176.300 -0.150 0.000 1.039 151 R CA 0.378 56.356 56.100 -0.203 0.000 1.065 151 R CB -0.041 29.990 30.300 -0.449 0.000 0.964 151 R HN 0.327 nan 8.270 nan 0.000 0.428 152 Y N 1.179 121.525 120.300 0.078 0.000 4.929 152 Y HA -0.270 4.280 4.550 -0.000 0.000 0.253 152 Y C 0.616 176.563 175.900 0.079 0.000 0.946 152 Y CA 0.744 58.880 58.100 0.061 0.000 1.905 152 Y CB -1.793 36.688 38.460 0.036 0.000 1.400 152 Y HN 0.642 nan 8.280 nan 0.000 0.531 153 L N -0.832 120.524 121.223 0.222 0.000 2.817 153 L HA 0.114 4.454 4.340 -0.000 0.000 0.248 153 L C 2.029 179.021 176.870 0.204 0.000 1.133 153 L CA 0.800 55.767 54.840 0.212 0.000 0.935 153 L CB 0.032 42.221 42.059 0.216 0.000 1.266 153 L HN 0.274 nan 8.230 nan 0.000 0.535 154 S N -0.035 115.766 115.700 0.170 0.000 2.440 154 S HA -0.201 4.269 4.470 -0.000 0.000 0.238 154 S C 1.391 176.054 174.600 0.105 0.000 1.010 154 S CA 1.440 59.712 58.200 0.120 0.000 0.972 154 S CB -0.433 62.812 63.200 0.075 0.000 0.774 154 S HN 0.599 nan 8.310 nan 0.000 0.501 155 D N 0.898 121.371 120.400 0.121 0.000 2.340 155 D HA 0.293 4.933 4.640 -0.000 0.000 0.220 155 D C 1.303 177.686 176.300 0.138 0.000 1.039 155 D CA 0.764 54.830 54.000 0.110 0.000 0.866 155 D CB 0.035 40.899 40.800 0.105 0.000 0.913 155 D HN 0.609 nan 8.370 nan 0.000 0.523 156 A N -0.380 122.544 122.820 0.174 0.000 2.027 156 A HA 0.385 4.705 4.320 -0.000 0.000 0.196 156 A C 0.232 177.943 177.584 0.212 0.000 1.573 156 A CA -0.136 52.047 52.037 0.244 0.000 1.097 156 A CB 0.662 19.878 19.000 0.358 0.000 1.196 156 A HN 0.143 nan 8.150 nan 0.000 0.462 157 L N 1.632 122.978 121.223 0.206 0.000 2.620 157 L HA 0.465 4.805 4.340 -0.000 0.000 0.261 157 L C -0.156 176.854 176.870 0.232 0.000 0.978 157 L CA 0.155 55.121 54.840 0.210 0.000 0.897 157 L CB 1.312 43.527 42.059 0.260 0.000 1.207 157 L HN 0.297 nan 8.230 nan 0.000 0.425 158 T N 0.276 114.883 114.554 0.089 0.000 2.849 158 T HA 0.357 4.707 4.350 -0.000 0.000 0.284 158 T C 1.256 175.802 174.700 -0.257 0.000 1.004 158 T CA 0.059 62.115 62.100 -0.073 0.000 1.021 158 T CB 1.100 69.916 68.868 -0.088 0.000 1.013 158 T HN 0.749 nan 8.240 nan 0.000 0.527 159 R N 0.504 120.533 120.500 -0.785 0.000 2.189 159 R HA -0.049 4.291 4.340 -0.000 0.000 0.223 159 R C 1.243 177.373 176.300 -0.283 0.000 1.092 159 R CA 1.447 56.995 56.100 -0.920 0.000 0.989 159 R CB -0.600 28.976 30.300 -1.208 0.000 0.876 159 R HN 0.598 nan 8.270 nan 0.000 0.457 160 D N 1.125 121.402 120.400 -0.206 0.000 2.123 160 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 160 D C 1.569 177.839 176.300 -0.050 0.000 0.976 160 D CA 1.323 55.263 54.000 -0.101 0.000 0.831 160 D CB -0.073 40.676 40.800 -0.085 0.000 0.974 160 D HN 0.494 nan 8.370 nan 0.000 0.469 161 E N 0.678 120.855 120.200 -0.038 0.000 2.106 161 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 161 E C 2.080 178.701 176.600 0.034 0.000 0.984 161 E CA 0.840 57.239 56.400 -0.001 0.000 0.806 161 E CB 0.030 29.735 29.700 0.008 0.000 0.750 161 E HN 0.154 nan 8.360 nan 0.000 0.458 162 A N 1.100 123.967 122.820 0.079 0.000 1.902 162 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 162 A C 2.170 179.805 177.584 0.085 0.000 1.181 162 A CA 0.982 53.103 52.037 0.139 0.000 0.623 162 A CB -0.607 18.584 19.000 0.318 0.000 0.818 162 A HN 0.138 nan 8.150 nan 0.000 0.443 163 L N -0.768 120.487 121.223 0.052 0.000 2.046 163 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 163 L C 3.133 180.011 176.870 0.013 0.000 1.077 163 L CA 1.018 55.876 54.840 0.029 0.000 0.747 163 L CB -0.562 41.498 42.059 0.003 0.000 0.896 163 L HN 0.464 nan 8.230 nan 0.000 0.432 164 A N 0.521 123.344 122.820 0.005 0.000 1.865 164 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 164 A C 2.185 179.769 177.584 0.000 0.000 1.191 164 A CA 1.858 53.893 52.037 -0.003 0.000 0.623 164 A CB -0.763 18.232 19.000 -0.009 0.000 0.826 164 A HN 0.358 nan 8.150 nan 0.000 0.444 165 I N -0.400 120.175 120.570 0.009 0.000 2.163 165 I HA -0.287 3.883 4.170 -0.000 0.000 0.243 165 I C 2.411 178.531 176.117 0.004 0.000 1.085 165 I CA 1.375 62.680 61.300 0.007 0.000 1.347 165 I CB -0.398 37.614 38.000 0.020 0.000 1.044 165 I HN 0.297 nan 8.210 nan 0.000 0.408 166 L N -0.021 121.211 121.223 0.014 0.000 2.083 166 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 166 L C 2.731 179.599 176.870 -0.003 0.000 1.083 166 L CA 1.310 56.155 54.840 0.009 0.000 0.752 166 L CB -0.514 41.559 42.059 0.023 0.000 0.899 166 L HN 0.168 nan 8.230 nan 0.000 0.433 167 R N -0.184 120.314 120.500 -0.003 0.000 2.073 167 R HA -0.112 4.228 4.340 -0.000 0.000 0.229 167 R C 1.716 178.007 176.300 -0.015 0.000 1.120 167 R CA 1.217 57.312 56.100 -0.009 0.000 0.967 167 R CB -0.188 30.107 30.300 -0.008 0.000 0.862 167 R HN 0.264 nan 8.270 nan 0.000 0.436 168 D N 0.060 120.451 120.400 -0.015 0.000 2.350 168 D HA -0.075 4.565 4.640 -0.000 0.000 0.216 168 D C 1.158 177.442 176.300 -0.027 0.000 0.968 168 D CA 0.961 54.950 54.000 -0.019 0.000 0.894 168 D CB 0.179 40.968 40.800 -0.017 0.000 0.909 168 D HN 0.284 nan 8.370 nan 0.000 0.520 169 A N -0.148 122.654 122.820 -0.029 0.000 2.197 169 A HA 0.024 4.344 4.320 -0.000 0.000 0.210 169 A C 1.937 179.494 177.584 -0.045 0.000 1.180 169 A CA 0.064 52.074 52.037 -0.045 0.000 0.846 169 A CB -0.103 18.867 19.000 -0.049 0.000 0.884 169 A HN 0.086 nan 8.150 nan 0.000 0.487 170 Q N 0.479 120.260 119.800 -0.032 0.000 2.135 170 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 170 Q C -0.839 175.144 176.000 -0.029 0.000 0.981 170 Q CA 2.185 57.971 55.803 -0.028 0.000 0.856 170 Q CB -0.734 27.991 28.738 -0.022 0.000 0.902 170 Q HN 0.468 nan 8.270 nan 0.000 0.425 171 P HA -0.145 nan 4.420 nan 0.000 0.215 171 P C 0.463 177.746 177.300 -0.029 0.000 1.153 171 P CA 1.321 64.406 63.100 -0.025 0.000 0.853 171 P CB 0.048 31.734 31.700 -0.023 0.000 0.788 172 Q N -1.513 118.261 119.800 -0.044 0.000 2.403 172 Q HA 0.087 4.427 4.340 -0.000 0.000 0.203 172 Q C 1.855 177.817 176.000 -0.063 0.000 0.932 172 Q CA 0.356 56.126 55.803 -0.055 0.000 0.945 172 Q CB -0.440 28.250 28.738 -0.080 0.000 1.045 172 Q HN 0.148 nan 8.270 nan 0.000 0.511 173 R N 0.236 120.707 120.500 -0.048 0.000 2.105 173 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 173 R C 2.030 178.334 176.300 0.007 0.000 1.135 173 R CA 1.511 57.593 56.100 -0.031 0.000 0.967 173 R CB -0.389 29.901 30.300 -0.017 0.000 0.861 173 R HN 0.331 nan 8.270 nan 0.000 0.442 174 A N 0.695 123.520 122.820 0.008 0.000 1.877 174 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 174 A C 2.313 179.923 177.584 0.042 0.000 1.186 174 A CA 1.687 53.741 52.037 0.028 0.000 0.620 174 A CB -0.786 18.224 19.000 0.016 0.000 0.822 174 A HN 0.414 nan 8.150 nan 0.000 0.443 175 A N 0.057 122.890 122.820 0.022 0.000 1.845 175 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 175 A C 2.218 179.836 177.584 0.058 0.000 1.195 175 A CA 1.529 53.584 52.037 0.031 0.000 0.616 175 A CB -0.569 18.436 19.000 0.008 0.000 0.832 175 A HN 0.543 nan 8.150 nan 0.000 0.443 176 R N -0.796 119.710 120.500 0.010 0.000 2.117 176 R HA -0.118 4.222 4.340 -0.000 0.000 0.243 176 R C 2.218 178.658 176.300 0.232 0.000 1.143 176 R CA 1.807 57.922 56.100 0.026 0.000 0.968 176 R CB -0.982 29.083 30.300 -0.392 0.000 0.863 176 R HN 0.540 nan 8.270 nan 0.000 0.444 177 T N 0.968 115.639 114.554 0.194 0.000 2.720 177 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 177 T C 1.989 176.845 174.700 0.260 0.000 1.037 177 T CA 1.530 63.815 62.100 0.309 0.000 1.144 177 T CB -0.232 68.795 68.868 0.265 0.000 0.864 177 T HN 0.429 nan 8.240 nan 0.000 0.444 178 A N 1.354 124.278 122.820 0.173 0.000 1.873 178 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 178 A C 2.576 180.227 177.584 0.112 0.000 1.186 178 A CA 2.085 54.199 52.037 0.129 0.000 0.616 178 A CB -1.332 17.721 19.000 0.088 0.000 0.823 178 A HN 0.472 nan 8.150 nan 0.000 0.442 179 T N 0.476 115.106 114.554 0.127 0.000 2.665 179 T HA -0.185 4.165 4.350 -0.000 0.000 0.268 179 T C 1.840 176.565 174.700 0.041 0.000 1.035 179 T CA 1.463 63.623 62.100 0.101 0.000 1.151 179 T CB -0.440 68.536 68.868 0.181 0.000 0.862 179 T HN 0.352 nan 8.240 nan 0.000 0.438 180 L N 0.476 121.749 121.223 0.083 0.000 2.017 180 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 180 L C 2.383 179.201 176.870 -0.087 0.000 1.073 180 L CA 1.689 56.477 54.840 -0.086 0.000 0.745 180 L CB -0.394 41.609 42.059 -0.094 0.000 0.894 180 L HN 0.314 nan 8.230 nan 0.000 0.432 181 I N -0.356 120.226 120.570 0.020 0.000 2.454 181 I HA -0.296 3.874 4.170 -0.000 0.000 0.254 181 I C 2.452 178.582 176.117 0.021 0.000 1.156 181 I CA 1.227 62.561 61.300 0.056 0.000 1.433 181 I CB -0.203 37.893 38.000 0.161 0.000 1.082 181 I HN 0.448 nan 8.210 nan 0.000 0.432 182 E N 0.688 120.893 120.200 0.008 0.000 2.075 182 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 182 E C 1.953 178.530 176.600 -0.040 0.000 0.969 182 E CA 0.609 57.005 56.400 -0.007 0.000 0.815 182 E CB 0.222 29.923 29.700 0.003 0.000 0.776 182 E HN 0.533 nan 8.360 nan 0.000 0.457 183 Q N -0.280 119.480 119.800 -0.066 0.000 2.396 183 Q HA 0.223 4.563 4.340 -0.000 0.000 0.209 183 Q C 0.635 176.562 176.000 -0.122 0.000 0.906 183 Q CA 0.293 56.038 55.803 -0.096 0.000 0.927 183 Q CB 1.392 30.061 28.738 -0.114 0.000 1.069 183 Q HN 0.306 nan 8.270 nan 0.000 0.523 184 G N 0.972 109.691 108.800 -0.136 0.000 2.796 184 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.571 184 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.571 184 G C -1.441 173.366 174.900 -0.154 0.000 1.370 184 G CA -0.592 44.434 45.100 -0.123 0.000 0.856 184 G HN 0.205 nan 8.290 nan 0.000 0.538 185 Y N 1.148 121.327 120.300 -0.201 0.000 2.352 185 Y HA 0.610 5.160 4.550 -0.000 0.000 0.339 185 Y C -1.972 173.879 175.900 -0.082 0.000 0.992 185 Y CA -2.194 55.775 58.100 -0.218 0.000 1.100 185 Y CB 2.047 40.356 38.460 -0.252 0.000 1.192 185 Y HN 0.478 nan 8.280 nan 0.000 0.458 186 P HA 0.171 nan 4.420 nan 0.000 0.264 186 P C -1.305 176.198 177.300 0.339 0.000 1.183 186 P CA 0.487 63.654 63.100 0.111 0.000 0.763 186 P CB 0.614 32.304 31.700 -0.018 0.000 0.807 187 A N 3.457 126.452 122.820 0.291 0.000 2.430 187 A HA 0.841 5.161 4.320 -0.000 0.000 0.300 187 A C -1.484 176.431 177.584 0.551 0.000 1.124 187 A CA -0.524 51.762 52.037 0.415 0.000 0.766 187 A CB 1.167 20.301 19.000 0.222 0.000 1.328 187 A HN 0.608 nan 8.150 nan 0.000 0.424 188 Y N -1.070 119.502 120.300 0.454 0.000 2.534 188 Y HA 0.740 5.290 4.550 0.000 0.000 0.345 188 Y C -0.303 175.670 175.900 0.121 0.000 1.031 188 Y CA -0.575 57.730 58.100 0.342 0.000 1.022 188 Y CB 1.306 39.972 38.460 0.343 0.000 1.292 188 Y HN 0.711 nan 8.280 nan 0.000 0.459 189 T N -0.340 114.169 114.554 -0.074 0.000 2.895 189 T HA 0.482 4.832 4.350 -0.000 0.000 0.283 189 T C 0.036 174.642 174.700 -0.157 0.000 1.014 189 T CA -0.609 61.289 62.100 -0.336 0.000 1.037 189 T CB 1.749 70.176 68.868 -0.735 0.000 1.006 189 T HN 0.786 nan 8.240 nan 0.000 0.468 190 T N 0.513 114.894 114.554 -0.289 0.000 3.043 190 T HA 0.147 4.497 4.350 -0.000 0.000 0.272 190 T C 2.067 176.324 174.700 -0.739 0.000 0.990 190 T CA -0.191 61.636 62.100 -0.455 0.000 0.897 190 T CB 0.071 68.638 68.868 -0.501 0.000 1.111 190 T HN 0.558 nan 8.240 nan 0.000 0.529 191 S N 2.771 118.235 115.700 -0.392 0.000 2.383 191 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 191 S C -0.386 174.162 174.600 -0.086 0.000 1.030 191 S CA 1.205 59.330 58.200 -0.125 0.000 1.002 191 S CB -0.723 62.518 63.200 0.067 0.000 0.829 191 S HN 0.539 nan 8.310 nan 0.000 0.467 192 P HA 0.130 nan 4.420 nan 0.000 0.240 192 P C 1.000 178.279 177.300 -0.036 0.000 1.190 192 P CA 0.796 63.901 63.100 0.008 0.000 0.781 192 P CB -0.205 31.474 31.700 -0.037 0.000 0.931 193 G N -0.899 107.709 108.800 -0.320 0.000 3.189 193 G HA2 0.042 4.002 3.960 -0.000 0.000 0.225 193 G HA3 0.042 4.002 3.960 -0.000 0.000 0.225 193 G C -0.150 174.547 174.900 -0.338 0.000 1.159 193 G CA -0.448 44.468 45.100 -0.307 0.000 0.763 193 G HN 0.139 nan 8.290 nan 0.000 0.549 194 W N 0.755 121.867 121.300 -0.313 0.000 2.223 194 W HA 0.411 5.071 4.660 -0.000 0.000 0.334 194 W C 0.851 177.103 176.519 -0.445 0.000 1.334 194 W CA -1.063 55.990 57.345 -0.486 0.000 1.246 194 W CB 0.671 29.654 29.460 -0.795 0.000 1.184 194 W HN -0.158 nan 8.180 nan 0.000 0.563 195 L N 2.676 123.908 121.223 0.015 0.000 2.479 195 L HA 0.211 4.551 4.340 -0.000 0.000 0.270 195 L C 1.580 178.445 176.870 -0.008 0.000 1.236 195 L CA 1.248 56.096 54.840 0.012 0.000 0.823 195 L CB 0.088 42.168 42.059 0.035 0.000 1.098 195 L HN 0.955 nan 8.230 nan 0.000 0.500 196 G N 0.078 108.914 108.800 0.060 0.000 2.336 196 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.233 196 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.233 196 G C 0.048 175.086 174.900 0.229 0.000 1.053 196 G CA -0.423 44.738 45.100 0.102 0.000 0.625 196 G HN 0.391 nan 8.290 nan 0.000 0.511 197 Y N 3.011 123.364 120.300 0.088 0.000 2.497 197 Y HA 0.475 5.025 4.550 -0.000 0.000 0.334 197 Y C 1.561 177.491 175.900 0.049 0.000 1.199 197 Y CA -0.796 57.349 58.100 0.074 0.000 1.425 197 Y CB 0.687 39.204 38.460 0.094 0.000 1.291 197 Y HN 0.537 nan 8.280 nan 0.000 0.562 198 S N 1.133 116.935 115.700 0.171 0.000 2.608 198 S HA 0.066 4.536 4.470 -0.000 0.000 0.261 198 S C 0.733 175.380 174.600 0.079 0.000 1.314 198 S CA -0.580 57.675 58.200 0.091 0.000 0.992 198 S CB 0.860 64.086 63.200 0.044 0.000 0.935 198 S HN 0.564 nan 8.310 nan 0.000 0.564 199 D N 1.244 121.673 120.400 0.048 0.000 2.097 199 D HA -0.110 4.530 4.640 -0.000 0.000 0.195 199 D C 2.115 178.424 176.300 0.015 0.000 0.989 199 D CA 1.590 55.608 54.000 0.029 0.000 0.827 199 D CB -0.312 40.494 40.800 0.011 0.000 0.966 199 D HN 0.777 nan 8.370 nan 0.000 0.456 200 E N 1.200 121.404 120.200 0.006 0.000 2.085 200 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 200 E C 1.934 178.523 176.600 -0.018 0.000 0.994 200 E CA 0.891 57.286 56.400 -0.007 0.000 0.801 200 E CB -0.509 29.185 29.700 -0.010 0.000 0.743 200 E HN 0.336 nan 8.360 nan 0.000 0.453 201 K N 0.917 121.299 120.400 -0.030 0.000 2.097 201 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 201 K C 2.265 178.844 176.600 -0.035 0.000 1.050 201 K CA 0.547 56.785 56.287 -0.083 0.000 0.938 201 K CB -0.054 32.331 32.500 -0.190 0.000 0.718 201 K HN 0.094 nan 8.250 nan 0.000 0.442 202 L N 1.648 122.891 121.223 0.034 0.000 1.989 202 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 202 L C 2.326 179.207 176.870 0.019 0.000 1.071 202 L CA 2.177 57.057 54.840 0.067 0.000 0.749 202 L CB -1.001 41.097 42.059 0.065 0.000 0.890 202 L HN 0.281 nan 8.230 nan 0.000 0.431 203 V N -1.508 118.407 119.914 0.001 0.000 2.427 203 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 203 V C 2.725 178.815 176.094 -0.007 0.000 1.051 203 V CA 1.812 64.107 62.300 -0.008 0.000 1.048 203 V CB -0.926 30.890 31.823 -0.012 0.000 0.666 203 V HN 0.516 nan 8.190 nan 0.000 0.456 204 R N -0.761 119.731 120.500 -0.013 0.000 2.075 204 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 204 R C 2.209 178.504 176.300 -0.007 0.000 1.126 204 R CA 1.735 57.827 56.100 -0.014 0.000 0.963 204 R CB -0.250 30.034 30.300 -0.027 0.000 0.858 204 R HN 0.493 nan 8.270 nan 0.000 0.435 205 L N 0.517 121.735 121.223 -0.008 0.000 2.109 205 L HA 0.009 4.349 4.340 -0.000 0.000 0.207 205 L C 2.433 179.308 176.870 0.008 0.000 1.086 205 L CA 1.835 56.679 54.840 0.007 0.000 0.760 205 L CB -0.982 41.094 42.059 0.028 0.000 0.910 205 L HN 0.230 nan 8.230 nan 0.000 0.437 206 A N -0.660 122.161 122.820 0.002 0.000 1.877 206 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 206 A C 2.365 179.955 177.584 0.010 0.000 1.186 206 A CA 1.764 53.798 52.037 -0.005 0.000 0.620 206 A CB -0.388 18.604 19.000 -0.013 0.000 0.822 206 A HN 0.364 nan 8.150 nan 0.000 0.443 207 K N -0.287 120.119 120.400 0.010 0.000 2.057 207 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 207 K C 1.997 178.614 176.600 0.029 0.000 1.049 207 K CA 1.606 57.903 56.287 0.017 0.000 0.931 207 K CB -0.194 32.312 32.500 0.010 0.000 0.714 207 K HN 0.626 nan 8.250 nan 0.000 0.440 208 E N 0.584 120.802 120.200 0.030 0.000 2.077 208 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 208 E C 2.116 178.764 176.600 0.081 0.000 0.989 208 E CA 1.027 57.454 56.400 0.045 0.000 0.800 208 E CB -0.160 29.564 29.700 0.041 0.000 0.746 208 E HN 0.331 nan 8.360 nan 0.000 0.452 209 A N 1.180 124.050 122.820 0.084 0.000 1.873 209 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 209 A C 2.561 180.275 177.584 0.216 0.000 1.193 209 A CA 1.570 53.702 52.037 0.159 0.000 0.629 209 A CB -0.889 18.120 19.000 0.014 0.000 0.826 209 A HN 0.130 nan 8.150 nan 0.000 0.447 210 V N -0.206 119.772 119.914 0.107 0.000 2.343 210 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 210 V C 3.049 179.157 176.094 0.023 0.000 1.051 210 V CA 2.031 64.373 62.300 0.071 0.000 1.036 210 V CB -1.248 30.602 31.823 0.046 0.000 0.654 210 V HN 0.640 nan 8.190 nan 0.000 0.451 211 A N -0.392 122.445 122.820 0.028 0.000 1.972 211 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 211 A C 1.838 179.395 177.584 -0.045 0.000 1.169 211 A CA 1.850 53.894 52.037 0.011 0.000 0.635 211 A CB -0.501 18.515 19.000 0.026 0.000 0.810 211 A HN 0.546 nan 8.150 nan 0.000 0.446 212 D N -1.397 118.974 120.400 -0.047 0.000 2.363 212 D HA 0.229 4.869 4.640 -0.000 0.000 0.226 212 D C 1.429 177.367 176.300 -0.603 0.000 1.020 212 D CA 1.178 55.077 54.000 -0.168 0.000 0.892 212 D CB 0.134 40.955 40.800 0.035 0.000 0.900 212 D HN 0.615 nan 8.370 nan 0.000 0.531 213 G N 0.205 108.637 108.800 -0.612 0.000 2.195 213 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.224 213 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.224 213 G C 0.209 174.834 174.900 -0.458 0.000 0.990 213 G CA -0.544 44.011 45.100 -0.908 0.000 0.639 213 G HN 0.258 nan 8.290 nan 0.000 0.514 214 F N 1.558 121.396 119.950 -0.187 0.000 2.543 214 F HA 0.425 4.952 4.527 -0.000 0.000 0.375 214 F C 1.810 177.602 175.800 -0.013 0.000 1.075 214 F CA -0.218 57.743 58.000 -0.065 0.000 1.225 214 F CB 0.722 39.714 39.000 -0.013 0.000 1.099 214 F HN -0.126 nan 8.300 nan 0.000 0.561 215 R N 1.207 121.823 120.500 0.194 0.000 2.317 215 R HA 0.182 4.522 4.340 -0.000 0.000 0.208 215 R C -0.246 176.157 176.300 0.170 0.000 0.914 215 R CA 0.235 56.421 56.100 0.144 0.000 1.060 215 R CB -0.030 30.334 30.300 0.107 0.000 1.015 215 R HN 0.535 nan 8.270 nan 0.000 0.498 216 T N 0.480 115.178 114.554 0.240 0.000 2.923 216 T HA 0.521 4.871 4.350 -0.000 0.000 0.311 216 T C -0.797 174.008 174.700 0.176 0.000 1.183 216 T CA -0.469 61.742 62.100 0.186 0.000 1.020 216 T CB 2.443 71.460 68.868 0.248 0.000 1.165 216 T HN 0.019 nan 8.240 nan 0.000 0.482 217 I N 1.306 121.892 120.570 0.026 0.000 2.969 217 I HA 0.754 4.924 4.170 -0.000 0.000 0.307 217 I C -1.753 174.281 176.117 -0.139 0.000 1.149 217 I CA -1.002 60.288 61.300 -0.015 0.000 1.008 217 I CB 2.283 40.251 38.000 -0.054 0.000 1.232 217 I HN 0.530 nan 8.210 nan 0.000 0.435 218 K N 6.511 126.835 120.400 -0.128 0.000 2.482 218 K HA 0.609 4.929 4.320 -0.000 0.000 0.251 218 K C -2.016 174.438 176.600 -0.244 0.000 0.936 218 K CA -0.649 55.496 56.287 -0.237 0.000 0.791 218 K CB 1.887 34.298 32.500 -0.148 0.000 1.213 218 K HN 0.589 nan 8.250 nan 0.000 0.428 219 L N 3.156 124.241 121.223 -0.231 0.000 2.334 219 L HA 0.540 4.880 4.340 -0.000 0.000 0.273 219 L C -0.108 176.665 176.870 -0.162 0.000 1.013 219 L CA -1.354 53.371 54.840 -0.192 0.000 0.816 219 L CB 1.521 43.506 42.059 -0.124 0.000 1.278 219 L HN 0.424 nan 8.230 nan 0.000 0.431 220 K N 2.164 122.482 120.400 -0.136 0.000 2.174 220 K HA 0.605 4.925 4.320 -0.000 0.000 0.275 220 K C -0.277 176.302 176.600 -0.036 0.000 1.015 220 K CA -0.252 55.986 56.287 -0.083 0.000 0.933 220 K CB 2.148 34.634 32.500 -0.024 0.000 1.025 220 K HN 0.530 nan 8.250 nan 0.000 0.463 221 V N -2.903 116.981 119.914 -0.050 0.000 3.103 221 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 221 V C 0.597 176.633 176.094 -0.098 0.000 1.322 221 V CA -0.046 62.279 62.300 0.043 0.000 1.063 221 V CB 1.357 33.278 31.823 0.164 0.000 1.090 221 V HN 0.813 nan 8.190 nan 0.000 0.462 222 G N -1.108 107.704 108.800 0.020 0.000 2.211 222 G HA2 0.003 3.963 3.960 -0.000 0.000 0.201 222 G HA3 0.003 3.963 3.960 -0.000 0.000 0.201 222 G C 0.754 175.628 174.900 -0.044 0.000 0.997 222 G CA 0.976 45.850 45.100 -0.376 0.000 0.652 222 G HN 1.942 nan 8.290 nan 0.000 0.500 223 A N -0.462 122.498 122.820 0.234 0.000 1.942 223 A HA 0.522 4.842 4.320 -0.000 0.000 0.209 223 A C 0.923 178.791 177.584 0.472 0.000 1.214 223 A CA 1.564 53.763 52.037 0.270 0.000 0.686 223 A CB 0.157 19.247 19.000 0.151 0.000 0.871 223 A HN 0.729 nan 8.150 nan 0.000 0.460 224 N N -0.145 118.868 118.700 0.522 0.000 2.454 224 N HA 0.259 4.999 4.740 -0.000 0.000 0.291 224 N C 0.676 176.287 175.510 0.168 0.000 1.079 224 N CA 0.132 53.368 53.050 0.310 0.000 0.893 224 N CB 2.176 40.755 38.487 0.153 0.000 1.512 224 N HN -0.077 nan 8.380 nan 0.000 0.497 225 V N 2.962 122.633 119.914 -0.405 0.000 2.255 225 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 225 V C 2.204 178.152 176.094 -0.243 0.000 1.051 225 V CA 1.538 63.404 62.300 -0.723 0.000 1.018 225 V CB -0.753 30.468 31.823 -1.004 0.000 0.641 225 V HN 0.596 nan 8.190 nan 0.000 0.445 226 Q N 0.634 120.336 119.800 -0.164 0.000 2.045 226 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 226 Q C 2.047 178.037 176.000 -0.017 0.000 0.991 226 Q CA 2.305 58.063 55.803 -0.074 0.000 0.851 226 Q CB -0.892 27.816 28.738 -0.051 0.000 0.911 226 Q HN 0.698 nan 8.270 nan 0.000 0.418 227 D N 0.168 120.581 120.400 0.021 0.000 2.104 227 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 227 D C 1.402 177.740 176.300 0.063 0.000 0.994 227 D CA 1.362 55.393 54.000 0.051 0.000 0.830 227 D CB -0.327 40.526 40.800 0.088 0.000 0.959 227 D HN 0.254 nan 8.370 nan 0.000 0.452 228 D N 0.214 120.691 120.400 0.128 0.000 2.104 228 D HA -0.108 4.532 4.640 -0.000 0.000 0.194 228 D C 2.328 178.677 176.300 0.083 0.000 0.994 228 D CA 0.438 54.542 54.000 0.173 0.000 0.830 228 D CB -0.350 40.693 40.800 0.405 0.000 0.959 228 D HN 0.280 nan 8.370 nan 0.000 0.452 229 I N 0.494 121.102 120.570 0.063 0.000 2.163 229 I HA -0.270 3.900 4.170 -0.000 0.000 0.243 229 I C 2.647 178.697 176.117 -0.112 0.000 1.085 229 I CA 1.039 62.381 61.300 0.070 0.000 1.347 229 I CB -0.192 37.864 38.000 0.094 0.000 1.044 229 I HN -0.051 nan 8.210 nan 0.000 0.408 230 R N 1.197 121.655 120.500 -0.070 0.000 2.073 230 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 230 R C 2.489 178.701 176.300 -0.146 0.000 1.134 230 R CA 1.551 57.592 56.100 -0.100 0.000 0.952 230 R CB -0.144 30.131 30.300 -0.042 0.000 0.850 230 R HN 0.206 nan 8.270 nan 0.000 0.433 231 R N -0.471 119.972 120.500 -0.096 0.000 2.096 231 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 231 R C 2.488 178.687 176.300 -0.168 0.000 1.127 231 R CA 1.677 57.723 56.100 -0.089 0.000 0.968 231 R CB -0.430 29.855 30.300 -0.024 0.000 0.861 231 R HN 0.323 nan 8.270 nan 0.000 0.440 232 C N -0.213 118.941 119.300 -0.244 0.000 2.440 232 C HA -0.018 4.442 4.460 -0.000 0.000 0.278 232 C C 2.646 177.255 174.990 -0.636 0.000 1.295 232 C CA 0.348 59.155 59.018 -0.352 0.000 1.738 232 C CB -0.777 26.802 27.740 -0.269 0.000 1.987 232 C HN 0.466 nan 8.230 nan 0.000 0.492 233 R N 0.515 120.465 120.500 -0.917 0.000 2.066 233 R HA -0.075 4.265 4.340 -0.000 0.000 0.232 233 R C 2.103 178.211 176.300 -0.320 0.000 1.131 233 R CA 1.382 57.002 56.100 -0.800 0.000 0.955 233 R CB -0.322 29.627 30.300 -0.585 0.000 0.851 233 R HN 0.487 nan 8.270 nan 0.000 0.432 234 L N 0.098 121.184 121.223 -0.228 0.000 2.017 234 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 234 L C 2.745 179.556 176.870 -0.099 0.000 1.073 234 L CA 1.351 56.119 54.840 -0.121 0.000 0.745 234 L CB -0.585 41.423 42.059 -0.084 0.000 0.894 234 L HN 0.292 nan 8.230 nan 0.000 0.432 235 A N 0.282 123.035 122.820 -0.112 0.000 1.908 235 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 235 A C 2.320 179.862 177.584 -0.070 0.000 1.181 235 A CA 2.040 54.029 52.037 -0.080 0.000 0.627 235 A CB -0.540 18.407 19.000 -0.087 0.000 0.818 235 A HN 0.333 nan 8.150 nan 0.000 0.445 236 R N 0.405 120.851 120.500 -0.091 0.000 2.091 236 R HA -0.053 4.287 4.340 -0.000 0.000 0.238 236 R C 2.046 178.335 176.300 -0.019 0.000 1.136 236 R CA 2.151 58.228 56.100 -0.039 0.000 0.959 236 R CB -0.999 29.297 30.300 -0.008 0.000 0.856 236 R HN 0.385 nan 8.270 nan 0.000 0.437 237 A N 0.243 123.043 122.820 -0.034 0.000 1.898 237 A HA 0.072 4.392 4.320 -0.000 0.000 0.216 237 A C 2.368 179.946 177.584 -0.011 0.000 1.181 237 A CA 1.574 53.602 52.037 -0.015 0.000 0.620 237 A CB -1.024 17.963 19.000 -0.022 0.000 0.819 237 A HN 0.488 nan 8.150 nan 0.000 0.442 238 A N -1.176 121.633 122.820 -0.019 0.000 2.070 238 A HA 0.046 4.366 4.320 -0.000 0.000 0.220 238 A C 1.880 179.463 177.584 -0.003 0.000 1.159 238 A CA 1.607 53.637 52.037 -0.011 0.000 0.656 238 A CB -0.363 18.627 19.000 -0.016 0.000 0.800 238 A HN 0.418 nan 8.150 nan 0.000 0.453 239 I N -2.285 118.283 120.570 -0.003 0.000 3.526 239 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 239 I C 1.221 177.347 176.117 0.014 0.000 1.229 239 I CA 1.277 62.581 61.300 0.006 0.000 1.408 239 I CB 0.205 38.205 38.000 -0.000 0.000 1.127 239 I HN 0.506 nan 8.210 nan 0.000 0.439 240 G N 1.081 109.889 108.800 0.013 0.000 2.712 240 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.683 240 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.683 240 G C -2.234 172.680 174.900 0.024 0.000 1.320 240 G CA -0.184 44.927 45.100 0.019 0.000 0.847 240 G HN 0.028 nan 8.290 nan 0.000 0.553 241 P HA 0.170 nan 4.420 nan 0.000 0.251 241 P C 0.364 177.683 177.300 0.031 0.000 1.223 241 P CA 1.035 64.154 63.100 0.031 0.000 0.796 241 P CB 0.328 32.047 31.700 0.031 0.000 1.068 242 D N -0.391 120.027 120.400 0.031 0.000 2.350 242 D HA 0.081 4.721 4.640 -0.000 0.000 0.213 242 D C 0.818 177.143 176.300 0.041 0.000 1.031 242 D CA 0.372 54.393 54.000 0.035 0.000 0.861 242 D CB 0.338 41.158 40.800 0.033 0.000 0.926 242 D HN 0.172 nan 8.370 nan 0.000 0.520 243 I N 1.376 121.968 120.570 0.038 0.000 2.385 243 I HA 0.360 4.530 4.170 -0.000 0.000 0.294 243 I C 0.933 177.068 176.117 0.030 0.000 0.988 243 I CA -1.200 60.125 61.300 0.043 0.000 1.265 243 I CB 0.931 38.954 38.000 0.039 0.000 1.388 243 I HN -0.201 nan 8.210 nan 0.000 0.480 247 V N 1.047 120.631 119.914 -0.550 0.000 2.760 247 V HA 0.685 4.805 4.120 -0.000 0.000 0.309 247 V C -1.717 174.258 176.094 -0.198 0.000 1.077 247 V CA -0.324 61.820 62.300 -0.259 0.000 0.910 247 V CB 2.079 33.839 31.823 -0.106 0.000 1.008 247 V HN 0.948 nan 8.190 nan 0.000 0.424 248 D N 3.530 123.845 120.400 -0.142 0.000 2.549 248 D HA 0.593 5.233 4.640 -0.000 0.000 0.251 248 D C 0.376 176.548 176.300 -0.214 0.000 1.153 248 D CA 0.026 53.956 54.000 -0.117 0.000 0.861 248 D CB 2.270 43.034 40.800 -0.061 0.000 1.207 248 D HN 0.567 nan 8.370 nan 0.000 0.543 249 A N 3.677 126.277 122.820 -0.365 0.000 2.178 249 A HA 0.080 4.400 4.320 -0.000 0.000 0.211 249 A C 0.890 178.140 177.584 -0.556 0.000 1.157 249 A CA 0.005 51.608 52.037 -0.723 0.000 0.780 249 A CB -0.271 17.797 19.000 -1.553 0.000 0.828 249 A HN 0.757 nan 8.150 nan 0.000 0.476 250 N N -0.153 118.348 118.700 -0.332 0.000 2.725 250 N HA -0.253 4.487 4.740 -0.000 0.000 0.251 250 N C -0.083 175.254 175.510 -0.288 0.000 1.031 250 N CA 1.150 54.044 53.050 -0.260 0.000 0.720 250 N CB -1.199 37.172 38.487 -0.193 0.000 0.930 250 N HN 0.760 nan 8.380 nan 0.000 0.543 251 Q N -3.051 116.575 119.800 -0.289 0.000 2.305 251 Q HA -0.321 4.019 4.340 -0.000 0.000 0.203 251 Q C 1.170 177.003 176.000 -0.278 0.000 0.663 251 Q CA 1.694 57.361 55.803 -0.226 0.000 1.389 251 Q CB -0.645 28.010 28.738 -0.138 0.000 1.566 251 Q HN 0.409 nan 8.270 nan 0.000 0.755 252 R N 0.119 120.348 120.500 -0.452 0.000 2.119 252 R HA -0.132 4.208 4.340 -0.000 0.000 0.246 252 R C 0.777 176.907 176.300 -0.283 0.000 1.146 252 R CA 1.423 57.252 56.100 -0.451 0.000 0.962 252 R CB -0.332 29.557 30.300 -0.686 0.000 0.863 252 R HN 0.355 nan 8.270 nan 0.000 0.442 253 W N 1.356 122.537 121.300 -0.199 0.000 2.253 253 W HA 0.232 4.892 4.660 0.000 0.000 0.348 253 W C 0.314 176.765 176.519 -0.114 0.000 1.229 253 W CA -1.231 56.014 57.345 -0.166 0.000 1.335 253 W CB -0.067 29.260 29.460 -0.221 0.000 1.165 253 W HN -0.084 nan 8.180 nan 0.000 0.631 254 D N -0.675 119.834 120.400 0.182 0.000 2.432 254 D HA 0.192 4.832 4.640 -0.000 0.000 0.258 254 D C 1.291 177.627 176.300 0.060 0.000 1.146 254 D CA -0.502 53.545 54.000 0.078 0.000 1.015 254 D CB 1.464 42.300 40.800 0.059 0.000 1.107 254 D HN -0.089 nan 8.370 nan 0.000 0.529 255 V N 0.688 120.611 119.914 0.015 0.000 2.255 255 V HA -0.152 3.968 4.120 -0.000 0.000 0.247 255 V C 2.209 178.297 176.094 -0.010 0.000 1.051 255 V CA 2.479 64.775 62.300 -0.007 0.000 1.018 255 V CB -0.872 30.942 31.823 -0.015 0.000 0.641 255 V HN 0.737 nan 8.190 nan 0.000 0.445 256 G N 0.270 109.068 108.800 -0.005 0.000 2.453 256 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.215 256 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.215 256 G C -0.189 174.693 174.900 -0.031 0.000 1.201 256 G CA 1.153 46.245 45.100 -0.014 0.000 0.784 256 G HN 0.500 nan 8.290 nan 0.000 0.545 257 P HA -0.054 nan 4.420 nan 0.000 0.216 257 P C 2.193 179.365 177.300 -0.212 0.000 1.150 257 P CA 1.937 65.009 63.100 -0.046 0.000 0.837 257 P CB -0.130 31.593 31.700 0.039 0.000 0.786 258 A N -0.862 121.834 122.820 -0.208 0.000 1.933 258 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 258 A C 2.178 179.591 177.584 -0.285 0.000 1.175 258 A CA 1.470 53.285 52.037 -0.371 0.000 0.628 258 A CB -1.565 17.468 19.000 0.054 0.000 0.814 258 A HN 0.121 nan 8.150 nan 0.000 0.444 259 I N -0.280 120.211 120.570 -0.131 0.000 2.202 259 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 259 I C 1.900 177.964 176.117 -0.088 0.000 1.091 259 I CA 1.459 62.709 61.300 -0.083 0.000 1.368 259 I CB -0.479 37.492 38.000 -0.047 0.000 1.058 259 I HN 0.228 nan 8.210 nan 0.000 0.410 260 D N 0.038 120.385 120.400 -0.088 0.000 2.117 260 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 260 D C 0.875 177.123 176.300 -0.086 0.000 0.987 260 D CA 0.705 54.657 54.000 -0.080 0.000 0.829 260 D CB -0.192 40.564 40.800 -0.073 0.000 0.961 260 D HN 0.253 nan 8.370 nan 0.000 0.460 264 Q N 0.694 120.460 119.800 -0.056 0.000 2.424 264 Q HA 0.209 4.549 4.340 -0.000 0.000 0.204 264 Q C 1.558 177.536 176.000 -0.037 0.000 0.933 264 Q CA 0.734 56.492 55.803 -0.076 0.000 0.929 264 Q CB 0.493 29.166 28.738 -0.110 0.000 1.037 264 Q HN 0.272 nan 8.270 nan 0.000 0.511 265 L N -0.803 120.442 121.223 0.036 0.000 2.590 265 L HA 0.242 4.582 4.340 -0.000 0.000 0.227 265 L C 2.173 179.044 176.870 0.001 0.000 1.099 265 L CA 0.089 55.014 54.840 0.141 0.000 0.872 265 L CB -0.187 42.031 42.059 0.266 0.000 1.088 265 L HN 0.104 nan 8.230 nan 0.000 0.479 266 A N 1.744 124.523 122.820 -0.067 0.000 1.917 266 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 266 A C 2.180 179.666 177.584 -0.164 0.000 1.182 266 A CA 2.197 54.186 52.037 -0.080 0.000 0.633 266 A CB -0.498 18.460 19.000 -0.070 0.000 0.819 266 A HN 0.660 nan 8.150 nan 0.000 0.448 267 E N -1.030 118.954 120.200 -0.360 0.000 2.265 267 E HA -0.163 4.187 4.350 -0.000 0.000 0.196 267 E C 1.107 177.474 176.600 -0.388 0.000 0.996 267 E CA 1.101 57.242 56.400 -0.431 0.000 0.832 267 E CB -0.532 28.810 29.700 -0.598 0.000 0.756 267 E HN 0.711 nan 8.360 nan 0.000 0.491 268 F N 1.460 121.407 119.950 -0.005 0.000 2.731 268 F HA 0.129 4.656 4.527 0.000 0.000 0.304 268 F C -0.008 175.783 175.800 -0.015 0.000 1.133 268 F CA -0.078 57.917 58.000 -0.009 0.000 1.380 268 F CB 0.019 39.014 39.000 -0.009 0.000 1.079 268 F HN -0.123 nan 8.300 nan 0.000 0.550 269 D N 1.987 122.434 120.400 0.078 0.000 3.620 269 D HA -0.182 4.458 4.640 -0.000 0.000 0.237 269 D C -0.670 175.654 176.300 0.041 0.000 1.111 269 D CA 0.174 54.203 54.000 0.048 0.000 1.070 269 D CB -0.582 40.246 40.800 0.048 0.000 0.891 269 D HN -0.023 nan 8.370 nan 0.000 0.412 270 I N 2.191 122.778 120.570 0.028 0.000 2.352 270 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 270 I C 1.961 178.065 176.117 -0.021 0.000 1.036 270 I CA -0.042 61.252 61.300 -0.010 0.000 1.336 270 I CB 0.456 38.464 38.000 0.014 0.000 1.407 270 I HN 0.427 nan 8.210 nan 0.000 0.497 271 A N 7.241 130.001 122.820 -0.099 0.000 1.930 271 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 271 A C 0.374 178.047 177.584 0.149 0.000 1.175 271 A CA 1.075 53.102 52.037 -0.017 0.000 0.627 271 A CB -0.079 18.840 19.000 -0.135 0.000 0.815 271 A HN 0.863 nan 8.150 nan 0.000 0.443 272 W N -3.772 117.457 121.300 -0.119 0.000 3.370 272 W HA 0.498 5.158 4.660 -0.000 0.000 0.304 272 W C -1.983 174.495 176.519 -0.068 0.000 1.161 272 W CA -1.626 55.653 57.345 -0.109 0.000 1.132 272 W CB -0.186 29.152 29.460 -0.204 0.000 1.377 272 W HN 0.154 nan 8.180 nan 0.000 0.568 273 I N 2.878 123.585 120.570 0.228 0.000 2.330 273 I HA 0.443 4.613 4.170 -0.000 0.000 0.289 273 I C -0.241 176.060 176.117 0.306 0.000 1.001 273 I CA -0.790 60.607 61.300 0.161 0.000 1.193 273 I CB 1.201 39.313 38.000 0.186 0.000 1.345 273 I HN 0.566 nan 8.210 nan 0.000 0.461 274 E N 6.438 126.791 120.200 0.255 0.000 2.283 274 E HA 0.199 4.549 4.350 -0.000 0.000 0.278 274 E C -0.499 176.154 176.600 0.088 0.000 1.027 274 E CA -0.255 56.301 56.400 0.259 0.000 0.843 274 E CB 0.540 30.426 29.700 0.310 0.000 1.062 274 E HN 0.643 nan 8.360 nan 0.000 0.401 275 E N 3.265 123.532 120.200 0.113 0.000 2.160 275 E HA -0.180 4.170 4.350 -0.000 0.000 0.180 275 E C -1.844 174.738 176.600 -0.029 0.000 1.452 275 E CA 0.094 56.553 56.400 0.098 0.000 0.683 275 E CB -0.474 29.200 29.700 -0.043 0.000 1.072 275 E HN 0.560 nan 8.360 nan 0.000 0.332 276 P HA -0.135 nan 4.420 nan 0.000 0.221 276 P C 0.758 177.992 177.300 -0.110 0.000 1.150 276 P CA 1.222 64.308 63.100 -0.024 0.000 0.800 276 P CB 0.494 32.304 31.700 0.184 0.000 0.787 277 T N -1.976 112.452 114.554 -0.212 0.000 2.618 277 T HA 0.333 4.683 4.350 -0.000 0.000 0.286 277 T C -0.829 173.847 174.700 -0.039 0.000 1.027 277 T CA -0.491 61.509 62.100 -0.166 0.000 1.063 277 T CB 1.002 69.740 68.868 -0.217 0.000 1.440 277 T HN -0.163 nan 8.240 nan 0.000 0.505 278 S N 1.881 117.574 115.700 -0.013 0.000 2.561 278 S HA 0.110 4.580 4.470 -0.000 0.000 0.294 278 S C -1.397 173.280 174.600 0.127 0.000 1.294 278 S CA -0.570 57.650 58.200 0.033 0.000 1.055 278 S CB 0.538 63.745 63.200 0.012 0.000 0.819 278 S HN 0.537 nan 8.310 nan 0.000 0.503 279 P HA 0.065 nan 4.420 nan 0.000 0.242 279 P C -0.011 177.259 177.300 -0.050 0.000 1.197 279 P CA 0.549 63.653 63.100 0.006 0.000 0.765 279 P CB 0.118 31.827 31.700 0.015 0.000 0.936 280 D N -0.914 119.477 120.400 -0.015 0.000 2.389 280 D HA -0.000 4.640 4.640 -0.000 0.000 0.206 280 D C 0.316 176.607 176.300 -0.016 0.000 1.055 280 D CA 0.448 54.421 54.000 -0.044 0.000 0.856 280 D CB -0.100 40.675 40.800 -0.043 0.000 0.957 280 D HN 0.076 nan 8.370 nan 0.000 0.509 281 D N 1.373 121.805 120.400 0.053 0.000 2.517 281 D HA 0.046 4.686 4.640 -0.000 0.000 0.220 281 D C 1.439 177.826 176.300 0.145 0.000 1.158 281 D CA -0.154 53.894 54.000 0.080 0.000 0.992 281 D CB 0.828 41.666 40.800 0.063 0.000 1.058 281 D HN -0.211 nan 8.370 nan 0.000 0.516 282 V N 3.560 123.499 119.914 0.041 0.000 2.295 282 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 282 V C 2.527 178.653 176.094 0.052 0.000 1.049 282 V CA 1.285 63.596 62.300 0.019 0.000 1.024 282 V CB -0.350 31.450 31.823 -0.039 0.000 0.648 282 V HN 0.573 nan 8.190 nan 0.000 0.447 283 L N 0.327 121.568 121.223 0.031 0.000 2.083 283 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 283 L C 2.668 179.559 176.870 0.035 0.000 1.083 283 L CA 1.679 56.535 54.840 0.026 0.000 0.752 283 L CB -1.353 40.713 42.059 0.011 0.000 0.899 283 L HN 0.480 nan 8.230 nan 0.000 0.433 284 G N -1.006 107.816 108.800 0.035 0.000 2.421 284 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 284 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 284 G C 1.415 176.298 174.900 -0.028 0.000 1.171 284 G CA 0.475 45.572 45.100 -0.006 0.000 0.775 284 G HN 0.387 nan 8.290 nan 0.000 0.543 285 H N 0.615 119.684 119.070 -0.001 0.000 2.387 285 H HA -0.009 4.547 4.556 0.000 0.000 0.299 285 H C 2.950 178.284 175.328 0.011 0.000 1.090 285 H CA 1.170 57.222 56.048 0.007 0.000 1.332 285 H CB -0.062 29.694 29.762 -0.011 0.000 1.386 285 H HN 0.411 nan 8.280 nan 0.000 0.516 286 A N 1.106 123.995 122.820 0.115 0.000 1.898 286 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 286 A C 2.680 180.290 177.584 0.043 0.000 1.181 286 A CA 1.427 53.504 52.037 0.067 0.000 0.620 286 A CB -0.651 18.378 19.000 0.047 0.000 0.819 286 A HN 0.425 nan 8.150 nan 0.000 0.442 287 A N 0.007 122.844 122.820 0.028 0.000 1.898 287 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 287 A C 2.112 179.702 177.584 0.009 0.000 1.181 287 A CA 1.449 53.494 52.037 0.013 0.000 0.620 287 A CB -0.584 18.418 19.000 0.004 0.000 0.819 287 A HN 0.490 nan 8.150 nan 0.000 0.442 288 I N -0.988 119.582 120.570 0.001 0.000 2.179 288 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 288 I C 2.726 178.857 176.117 0.024 0.000 1.088 288 I CA 1.722 63.022 61.300 -0.000 0.000 1.357 288 I CB -0.368 37.619 38.000 -0.022 0.000 1.051 288 I HN 0.375 nan 8.210 nan 0.000 0.409 289 R N 0.957 121.483 120.500 0.044 0.000 2.091 289 R HA -0.245 4.095 4.340 -0.000 0.000 0.238 289 R C 2.274 178.597 176.300 0.039 0.000 1.136 289 R CA 1.856 57.988 56.100 0.054 0.000 0.959 289 R CB -0.151 30.190 30.300 0.067 0.000 0.856 289 R HN 0.434 nan 8.270 nan 0.000 0.437 290 Q N -1.212 118.607 119.800 0.031 0.000 2.119 290 Q HA -0.058 4.282 4.340 -0.000 0.000 0.201 290 Q C 1.992 178.001 176.000 0.015 0.000 0.972 290 Q CA 1.449 57.266 55.803 0.023 0.000 0.847 290 Q CB -0.048 28.702 28.738 0.021 0.000 0.903 290 Q HN 0.544 nan 8.270 nan 0.000 0.433 291 G N 1.055 109.861 108.800 0.010 0.000 2.464 291 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 291 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 291 G C 1.307 176.206 174.900 -0.001 0.000 1.138 291 G CA 0.514 45.614 45.100 0.001 0.000 0.793 291 G HN 0.491 nan 8.290 nan 0.000 0.539 292 I N -1.363 119.211 120.570 0.008 0.000 3.941 292 I HA 0.325 4.495 4.170 -0.000 0.000 0.335 292 I C 0.667 176.793 176.117 0.017 0.000 1.402 292 I CA -0.435 60.870 61.300 0.008 0.000 1.112 292 I CB 0.108 38.118 38.000 0.016 0.000 1.043 292 I HN -0.129 nan 8.210 nan 0.000 0.395 293 T N 3.929 118.494 114.554 0.018 0.000 2.946 293 T HA 0.116 4.466 4.350 -0.000 0.000 0.312 293 T C -0.915 173.793 174.700 0.014 0.000 1.066 293 T CA -0.495 61.618 62.100 0.022 0.000 1.138 293 T CB 0.517 69.398 68.868 0.021 0.000 1.014 293 T HN 0.379 nan 8.240 nan 0.000 0.544 294 P HA 0.197 nan 4.420 nan 0.000 0.256 294 P C -0.304 177.019 177.300 0.038 0.000 1.384 294 P CA -0.229 62.888 63.100 0.028 0.000 0.879 294 P CB -0.039 31.675 31.700 0.024 0.000 1.403 295 V N 3.035 122.972 119.914 0.039 0.000 2.446 295 V HA 0.094 4.214 4.120 -0.000 0.000 0.276 295 V C -1.973 174.168 176.094 0.078 0.000 1.030 295 V CA -1.146 61.188 62.300 0.055 0.000 1.033 295 V CB -0.029 31.825 31.823 0.053 0.000 0.993 295 V HN 0.115 nan 8.190 nan 0.000 0.477 296 P HA 0.189 nan 4.420 nan 0.000 0.269 296 P C -0.639 176.753 177.300 0.153 0.000 1.209 296 P CA 0.068 63.238 63.100 0.117 0.000 0.776 296 P CB 0.670 32.450 31.700 0.134 0.000 0.876 297 V N 2.240 122.228 119.914 0.123 0.000 2.680 297 V HA 0.674 4.794 4.120 -0.000 0.000 0.309 297 V C 0.135 176.284 176.094 0.091 0.000 1.052 297 V CA -0.219 62.170 62.300 0.149 0.000 0.908 297 V CB 1.858 33.770 31.823 0.149 0.000 1.001 297 V HN 0.763 nan 8.190 nan 0.000 0.431 298 S N 2.620 118.386 115.700 0.111 0.000 2.638 298 S HA 0.914 5.384 4.470 -0.000 0.000 0.274 298 S C -0.784 173.827 174.600 0.018 0.000 1.157 298 S CA -0.198 57.991 58.200 -0.018 0.000 0.826 298 S CB 2.481 65.528 63.200 -0.254 0.000 1.139 298 S HN 1.085 nan 8.310 nan 0.000 0.474 299 T N -1.295 113.219 114.554 -0.067 0.000 2.722 299 T HA 0.641 4.991 4.350 -0.000 0.000 0.314 299 T C 0.296 174.953 174.700 -0.073 0.000 1.675 299 T CA 0.489 62.518 62.100 -0.119 0.000 1.003 299 T CB 0.598 69.214 68.868 -0.419 0.000 1.602 299 T HN 2.239 nan 8.240 nan 0.000 0.496 300 G N 1.201 109.951 108.800 -0.083 0.000 3.302 300 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.216 300 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.216 300 G C 0.774 175.729 174.900 0.092 0.000 1.008 300 G CA 0.982 46.107 45.100 0.041 0.000 0.852 300 G HN 0.952 nan 8.290 nan 0.000 0.485 301 E N 0.048 120.248 120.200 -0.001 0.000 2.265 301 E HA -0.097 4.253 4.350 -0.000 0.000 0.196 301 E C 1.519 178.185 176.600 0.110 0.000 0.996 301 E CA 1.350 57.702 56.400 -0.081 0.000 0.832 301 E CB -0.183 29.189 29.700 -0.546 0.000 0.756 301 E HN 0.487 nan 8.360 nan 0.000 0.491 302 H N 0.044 119.038 119.070 -0.127 0.000 2.893 302 H HA 0.234 4.790 4.556 -0.000 0.000 0.270 302 H C -0.344 174.905 175.328 -0.131 0.000 1.095 302 H CA -0.179 55.803 56.048 -0.110 0.000 1.186 302 H CB 0.711 30.408 29.762 -0.108 0.000 1.562 302 H HN -0.025 nan 8.280 nan 0.000 0.536 303 T N 1.874 116.367 114.554 -0.102 0.000 2.793 303 T HA -0.057 4.293 4.350 -0.000 0.000 0.289 303 T C 1.322 175.932 174.700 -0.150 0.000 0.956 303 T CA 0.165 62.071 62.100 -0.323 0.000 1.177 303 T CB 0.834 69.108 68.868 -0.989 0.000 0.897 303 T HN 0.424 nan 8.240 nan 0.000 0.533 304 Q N 2.771 122.497 119.800 -0.123 0.000 2.062 304 Q HA -0.178 4.162 4.340 -0.000 0.000 0.209 304 Q C 0.773 176.820 176.000 0.078 0.000 0.996 304 Q CA 1.804 57.589 55.803 -0.029 0.000 0.859 304 Q CB -0.063 28.631 28.738 -0.072 0.000 0.920 304 Q HN 0.902 nan 8.270 nan 0.000 0.415 305 N N -2.976 115.762 118.700 0.064 0.000 3.106 305 N HA 0.096 4.836 4.740 -0.000 0.000 0.253 305 N C -0.240 175.422 175.510 0.254 0.000 1.506 305 N CA -0.719 52.434 53.050 0.172 0.000 0.876 305 N CB 0.289 38.821 38.487 0.075 0.000 1.452 305 N HN -0.038 nan 8.380 nan 0.000 0.542 306 R N -0.561 120.087 120.500 0.247 0.000 2.241 306 R HA 0.000 4.340 4.340 -0.000 0.000 0.224 306 R C 0.283 176.694 176.300 0.184 0.000 1.101 306 R CA 1.426 57.672 56.100 0.242 0.000 0.995 306 R CB -0.796 29.573 30.300 0.115 0.000 0.870 306 R HN 0.332 nan 8.270 nan 0.000 0.463 307 V N 1.041 121.023 119.914 0.114 0.000 2.488 307 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 307 V C 2.419 178.514 176.094 0.002 0.000 1.046 307 V CA 1.122 63.456 62.300 0.057 0.000 1.053 307 V CB 0.106 31.929 31.823 -0.000 0.000 0.679 307 V HN 0.148 nan 8.190 nan 0.000 0.458 308 V N -0.816 119.073 119.914 -0.042 0.000 2.453 308 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 308 V C 2.167 178.175 176.094 -0.144 0.000 1.048 308 V CA 1.825 64.044 62.300 -0.135 0.000 1.049 308 V CB -0.732 30.956 31.823 -0.224 0.000 0.672 308 V HN 0.421 nan 8.190 nan 0.000 0.457 309 F N 0.769 120.673 119.950 -0.077 0.000 2.126 309 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 309 F C 2.543 178.256 175.800 -0.146 0.000 1.096 309 F CA 2.226 60.165 58.000 -0.101 0.000 1.255 309 F CB -0.275 38.682 39.000 -0.071 0.000 0.997 309 F HN 0.025 nan 8.300 nan 0.000 0.479 310 K N 0.444 120.894 120.400 0.082 0.000 2.044 310 K HA -0.278 4.042 4.320 -0.000 0.000 0.210 310 K C 1.963 178.486 176.600 -0.130 0.000 1.049 310 K CA 1.981 58.243 56.287 -0.041 0.000 0.927 310 K CB -0.263 32.261 32.500 0.040 0.000 0.713 310 K HN 0.360 nan 8.250 nan 0.000 0.443 311 Q N -0.005 119.748 119.800 -0.078 0.000 2.119 311 Q HA -0.125 4.215 4.340 -0.000 0.000 0.201 311 Q C 2.099 178.032 176.000 -0.113 0.000 0.972 311 Q CA 0.816 56.568 55.803 -0.085 0.000 0.847 311 Q CB 0.019 28.717 28.738 -0.067 0.000 0.903 311 Q HN 0.202 nan 8.270 nan 0.000 0.433 312 L N 0.180 121.327 121.223 -0.127 0.000 2.012 312 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 312 L C 2.052 178.835 176.870 -0.145 0.000 1.073 312 L CA 1.585 56.351 54.840 -0.124 0.000 0.748 312 L CB -0.967 41.013 42.059 -0.130 0.000 0.891 312 L HN 0.266 nan 8.230 nan 0.000 0.431 313 L N -0.985 120.081 121.223 -0.262 0.000 2.056 313 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 313 L C 2.605 179.205 176.870 -0.449 0.000 1.078 313 L CA 1.468 56.010 54.840 -0.496 0.000 0.749 313 L CB -1.153 40.253 42.059 -1.089 0.000 0.901 313 L HN 0.394 nan 8.230 nan 0.000 0.433 314 Q N -1.143 118.442 119.800 -0.358 0.000 2.084 314 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 314 Q C 2.024 178.029 176.000 0.009 0.000 0.978 314 Q CA 1.594 57.357 55.803 -0.067 0.000 0.844 314 Q CB -0.201 28.531 28.738 -0.009 0.000 0.898 314 Q HN 0.532 nan 8.270 nan 0.000 0.426 315 A N 0.010 122.815 122.820 -0.026 0.000 2.238 315 A HA 0.268 4.588 4.320 -0.000 0.000 0.208 315 A C 1.293 178.888 177.584 0.019 0.000 1.177 315 A CA 0.632 52.672 52.037 0.006 0.000 0.804 315 A CB -0.324 18.674 19.000 -0.002 0.000 0.823 315 A HN 0.426 nan 8.150 nan 0.000 0.482 316 G N -1.307 107.500 108.800 0.012 0.000 2.314 316 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.292 316 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.292 316 G C 0.725 175.644 174.900 0.031 0.000 1.059 316 G CA 0.413 45.534 45.100 0.034 0.000 0.982 316 G HN 1.417 nan 8.290 nan 0.000 0.505 317 A N -1.363 121.466 122.820 0.015 0.000 2.275 317 A HA 0.629 4.949 4.320 -0.000 0.000 0.212 317 A C 1.168 178.781 177.584 0.048 0.000 1.201 317 A CA 1.429 53.491 52.037 0.042 0.000 0.843 317 A CB 0.254 19.277 19.000 0.038 0.000 0.873 317 A HN 1.983 nan 8.150 nan 0.000 0.492 318 V N -4.270 115.658 119.914 0.023 0.000 2.971 318 V HA 0.589 4.709 4.120 -0.000 0.000 0.309 318 V C -0.475 175.636 176.094 0.027 0.000 1.130 318 V CA -0.576 61.736 62.300 0.020 0.000 0.964 318 V CB 1.737 33.553 31.823 -0.012 0.000 1.029 318 V HN 0.122 nan 8.190 nan 0.000 0.427 319 D N 1.974 122.386 120.400 0.021 0.000 2.338 319 D HA 0.387 5.027 4.640 -0.000 0.000 0.208 319 D C 0.197 176.499 176.300 0.002 0.000 0.997 319 D CA 1.248 55.263 54.000 0.025 0.000 0.880 319 D CB 0.475 41.295 40.800 0.035 0.000 0.980 319 D HN 0.716 nan 8.370 nan 0.000 0.509 320 L N -2.587 118.600 121.223 -0.059 0.000 2.600 320 L HA 0.636 4.976 4.340 -0.000 0.000 0.257 320 L C -1.494 175.317 176.870 -0.098 0.000 1.048 320 L CA -1.126 53.666 54.840 -0.080 0.000 0.869 320 L CB 1.769 43.694 42.059 -0.224 0.000 1.482 320 L HN -0.285 nan 8.230 nan 0.000 0.408 321 I N 0.327 120.878 120.570 -0.033 0.000 2.769 321 I HA 0.504 4.674 4.170 -0.000 0.000 0.298 321 I C -0.717 175.433 176.117 0.054 0.000 1.128 321 I CA -0.400 60.914 61.300 0.023 0.000 1.031 321 I CB 2.419 40.483 38.000 0.106 0.000 1.235 321 I HN 0.734 nan 8.210 nan 0.000 0.423 322 Q N 3.885 123.747 119.800 0.102 0.000 2.212 322 Q HA 0.679 5.019 4.340 -0.000 0.000 0.238 322 Q C -1.181 174.929 176.000 0.182 0.000 0.955 322 Q CA -0.108 55.784 55.803 0.150 0.000 0.906 322 Q CB 1.828 30.666 28.738 0.168 0.000 1.215 322 Q HN 0.434 nan 8.270 nan 0.000 0.478 323 I N 0.161 120.821 120.570 0.150 0.000 2.802 323 I HA 0.319 4.489 4.170 -0.000 0.000 0.298 323 I C -1.576 174.625 176.117 0.140 0.000 1.176 323 I CA -0.548 60.805 61.300 0.088 0.000 1.025 323 I CB 2.234 40.206 38.000 -0.047 0.000 1.243 323 I HN 0.539 nan 8.210 nan 0.000 0.424 324 D N 4.077 124.562 120.400 0.142 0.000 2.780 324 D HA 0.432 5.072 4.640 -0.000 0.000 0.242 324 D C 0.267 176.625 176.300 0.096 0.000 1.135 324 D CA -0.282 53.811 54.000 0.156 0.000 0.859 324 D CB 2.595 43.504 40.800 0.182 0.000 1.530 324 D HN 0.629 nan 8.370 nan 0.000 0.493 325 A N 2.788 125.652 122.820 0.074 0.000 1.969 325 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 325 A C 1.596 179.190 177.584 0.018 0.000 1.169 325 A CA 1.799 53.860 52.037 0.040 0.000 0.635 325 A CB -0.053 18.946 19.000 -0.001 0.000 0.810 325 A HN 0.551 nan 8.150 nan 0.000 0.445 326 A N -1.484 121.360 122.820 0.040 0.000 2.431 326 A HA 0.334 4.654 4.320 -0.000 0.000 0.239 326 A C 1.828 179.428 177.584 0.028 0.000 1.230 326 A CA 0.745 52.800 52.037 0.030 0.000 0.928 326 A CB -0.102 18.936 19.000 0.063 0.000 1.006 326 A HN 0.341 nan 8.150 nan 0.000 0.520 327 R N -0.515 120.015 120.500 0.051 0.000 2.153 327 R HA 0.149 4.489 4.340 -0.000 0.000 0.218 327 R C 0.806 177.119 176.300 0.022 0.000 1.072 327 R CA 1.582 57.701 56.100 0.031 0.000 0.990 327 R CB -0.565 29.773 30.300 0.064 0.000 0.889 327 R HN 0.254 nan 8.270 nan 0.000 0.452 328 V N -1.582 118.346 119.914 0.025 0.000 3.815 328 V HA 0.517 4.637 4.120 -0.000 0.000 0.284 328 V C 0.509 176.476 176.094 -0.212 0.000 1.266 328 V CA -0.373 61.940 62.300 0.021 0.000 0.923 328 V CB 1.265 33.166 31.823 0.129 0.000 1.267 328 V HN 0.258 nan 8.190 nan 0.000 0.461 329 G N 0.016 108.711 108.800 -0.176 0.000 3.452 329 G HA2 0.498 4.458 3.960 -0.000 0.000 0.258 329 G HA3 0.498 4.458 3.960 -0.000 0.000 0.258 329 G C 0.588 175.452 174.900 -0.061 0.000 1.305 329 G CA 0.735 45.671 45.100 -0.274 0.000 1.514 329 G HN 1.696 nan 8.290 nan 0.000 0.593 330 G N -0.746 108.023 108.800 -0.051 0.000 2.698 330 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.233 330 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.233 330 G C 1.046 175.902 174.900 -0.073 0.000 1.352 330 G CA -0.296 44.805 45.100 0.001 0.000 0.879 330 G HN 0.660 nan 8.290 nan 0.000 0.567 331 V N 0.542 120.313 119.914 -0.237 0.000 2.282 331 V HA -0.289 3.831 4.120 -0.000 0.000 0.249 331 V C 2.795 178.647 176.094 -0.404 0.000 1.057 331 V CA 3.201 65.163 62.300 -0.564 0.000 1.032 331 V CB -1.053 29.809 31.823 -1.602 0.000 0.645 331 V HN 0.730 nan 8.190 nan 0.000 0.447 332 N N 0.205 118.802 118.700 -0.172 0.000 2.060 332 N HA -0.252 4.488 4.740 -0.000 0.000 0.195 332 N C 1.887 177.377 175.510 -0.034 0.000 1.028 332 N CA 1.953 55.026 53.050 0.038 0.000 0.861 332 N CB -0.304 38.308 38.487 0.208 0.000 1.029 332 N HN 0.665 nan 8.380 nan 0.000 0.428 333 E N 0.021 120.209 120.200 -0.019 0.000 2.107 333 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 333 E C 1.277 177.838 176.600 -0.064 0.000 0.982 333 E CA 0.668 57.061 56.400 -0.011 0.000 0.809 333 E CB 0.097 29.835 29.700 0.063 0.000 0.756 333 E HN 0.307 nan 8.360 nan 0.000 0.459 334 N N 0.377 119.019 118.700 -0.096 0.000 2.244 334 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 334 N C 1.887 177.308 175.510 -0.149 0.000 1.016 334 N CA 0.731 53.702 53.050 -0.133 0.000 0.866 334 N CB -0.073 38.345 38.487 -0.116 0.000 0.980 334 N HN 0.243 nan 8.380 nan 0.000 0.430 335 L N 0.748 121.881 121.223 -0.149 0.000 2.046 335 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 335 L C 2.477 179.287 176.870 -0.101 0.000 1.077 335 L CA 1.139 55.906 54.840 -0.121 0.000 0.747 335 L CB -0.514 41.478 42.059 -0.111 0.000 0.896 335 L HN 0.101 nan 8.230 nan 0.000 0.432 336 A N 0.390 123.140 122.820 -0.117 0.000 1.883 336 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 336 A C 2.195 179.723 177.584 -0.094 0.000 1.186 336 A CA 1.671 53.636 52.037 -0.121 0.000 0.624 336 A CB -0.694 18.218 19.000 -0.146 0.000 0.822 336 A HN 0.356 nan 8.150 nan 0.000 0.444 337 I N -0.448 120.032 120.570 -0.149 0.000 2.226 337 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 337 I C 2.384 178.376 176.117 -0.209 0.000 1.100 337 I CA 1.110 62.252 61.300 -0.262 0.000 1.374 337 I CB -0.346 37.328 38.000 -0.543 0.000 1.057 337 I HN 0.284 nan 8.210 nan 0.000 0.413 338 L N 0.079 121.204 121.223 -0.162 0.000 2.079 338 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 338 L C 2.510 179.360 176.870 -0.034 0.000 1.081 338 L CA 1.368 56.150 54.840 -0.096 0.000 0.752 338 L CB -0.446 41.568 42.059 -0.075 0.000 0.896 338 L HN 0.276 nan 8.230 nan 0.000 0.433 339 L N -1.250 119.962 121.223 -0.018 0.000 2.093 339 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 339 L C 2.458 179.377 176.870 0.081 0.000 1.085 339 L CA 0.545 55.406 54.840 0.034 0.000 0.755 339 L CB -0.347 41.740 42.059 0.047 0.000 0.904 339 L HN 0.230 nan 8.230 nan 0.000 0.435 340 L N -0.113 121.158 121.223 0.080 0.000 1.994 340 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 340 L C 2.867 179.878 176.870 0.235 0.000 1.071 340 L CA 2.216 57.168 54.840 0.186 0.000 0.745 340 L CB -1.677 40.438 42.059 0.095 0.000 0.892 340 L HN 0.225 nan 8.230 nan 0.000 0.431 341 A N -0.466 122.406 122.820 0.087 0.000 1.883 341 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 341 A C 2.505 180.165 177.584 0.128 0.000 1.186 341 A CA 2.142 54.231 52.037 0.087 0.000 0.624 341 A CB -0.779 18.221 19.000 -0.000 0.000 0.822 341 A HN 0.433 nan 8.150 nan 0.000 0.444 342 A N -0.247 122.627 122.820 0.089 0.000 1.877 342 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 342 A C 2.148 179.779 177.584 0.078 0.000 1.186 342 A CA 2.134 54.214 52.037 0.071 0.000 0.620 342 A CB -0.507 18.520 19.000 0.045 0.000 0.822 342 A HN 0.581 nan 8.150 nan 0.000 0.443 343 K N -1.624 118.834 120.400 0.096 0.000 2.097 343 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 343 K C 1.222 177.779 176.600 -0.072 0.000 1.049 343 K CA 1.616 57.908 56.287 0.009 0.000 0.933 343 K CB -0.275 32.223 32.500 -0.003 0.000 0.717 343 K HN 0.399 nan 8.250 nan 0.000 0.442 344 F N 0.209 120.176 119.950 0.028 0.000 2.797 344 F HA 0.220 4.747 4.527 -0.000 0.000 0.302 344 F C 1.250 177.067 175.800 0.029 0.000 1.130 344 F CA 0.735 58.753 58.000 0.031 0.000 1.387 344 F CB 0.573 39.596 39.000 0.037 0.000 1.107 344 F HN 0.277 nan 8.300 nan 0.000 0.577 345 G N 1.446 110.340 108.800 0.157 0.000 2.246 345 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.273 345 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.273 345 G C -0.151 174.818 174.900 0.114 0.000 1.055 345 G CA 0.272 45.435 45.100 0.106 0.000 0.851 345 G HN 0.592 nan 8.290 nan 0.000 0.500 346 V N -2.290 117.699 119.914 0.125 0.000 2.495 346 V HA 0.847 4.967 4.120 -0.000 0.000 0.298 346 V C 0.601 176.745 176.094 0.084 0.000 1.031 346 V CA -1.576 60.784 62.300 0.100 0.000 0.871 346 V CB 1.277 33.154 31.823 0.091 0.000 0.988 346 V HN 0.440 nan 8.190 nan 0.000 0.432 347 R N 2.998 123.556 120.500 0.096 0.000 2.738 347 R HA 0.585 4.925 4.340 -0.000 0.000 0.268 347 R C -0.247 176.122 176.300 0.116 0.000 1.062 347 R CA 0.175 56.338 56.100 0.104 0.000 1.158 347 R CB 1.366 31.777 30.300 0.186 0.000 1.046 347 R HN 1.008 nan 8.270 nan 0.000 0.493 348 V N 1.196 121.150 119.914 0.066 0.000 2.531 348 V HA 0.498 4.618 4.120 -0.000 0.000 0.301 348 V C -1.444 174.681 176.094 0.052 0.000 1.034 348 V CA -0.753 61.594 62.300 0.080 0.000 0.865 348 V CB 1.335 33.158 31.823 0.000 0.000 0.995 348 V HN 0.549 nan 8.190 nan 0.000 0.424 349 F N 6.551 126.445 119.950 -0.092 0.000 2.311 349 F HA 0.618 5.145 4.527 0.000 0.000 0.371 349 F C -2.210 173.630 175.800 0.066 0.000 1.083 349 F CA -2.573 55.418 58.000 -0.014 0.000 1.113 349 F CB 1.540 40.421 39.000 -0.198 0.000 1.349 349 F HN 0.378 nan 8.300 nan 0.000 0.470 350 P HA -0.074 nan 4.420 nan 0.000 0.264 350 P C -0.521 176.892 177.300 0.187 0.000 1.183 350 P CA 0.356 63.523 63.100 0.111 0.000 0.763 350 P CB 0.270 31.944 31.700 -0.044 0.000 0.807 351 H N 2.673 121.802 119.070 0.099 0.000 2.562 351 H HA 0.621 5.177 4.556 -0.000 0.000 0.352 351 H C -0.231 175.101 175.328 0.006 0.000 1.125 351 H CA -0.057 56.047 56.048 0.093 0.000 1.379 351 H CB 0.543 30.365 29.762 0.100 0.000 1.464 351 H HN 0.494 nan 8.280 nan 0.000 0.563 352 A N 2.491 124.884 122.820 -0.711 0.000 3.136 352 A HA 0.771 5.091 4.320 -0.000 0.000 0.299 352 A C 0.420 177.600 177.584 -0.673 0.000 1.197 352 A CA -0.219 51.494 52.037 -0.539 0.000 0.640 352 A CB 0.306 19.162 19.000 -0.240 0.000 1.440 352 A HN 1.626 nan 8.150 nan 0.000 0.614 353 G N -1.811 106.719 108.800 -0.450 0.000 2.484 353 G HA2 0.470 4.430 3.960 -0.000 0.000 0.225 353 G HA3 0.470 4.430 3.960 -0.000 0.000 0.225 353 G C 1.497 175.960 174.900 -0.729 0.000 1.250 353 G CA 1.003 45.830 45.100 -0.456 0.000 0.926 353 G HN 2.922 nan 8.290 nan 0.000 0.581 354 G N -1.692 106.477 108.800 -1.052 0.000 2.627 354 G HA2 0.059 4.019 3.960 -0.000 0.000 0.312 354 G HA3 0.059 4.019 3.960 -0.000 0.000 0.312 354 G C 0.465 174.860 174.900 -0.842 0.000 1.299 354 G CA 1.696 45.677 45.100 -1.864 0.000 0.989 354 G HN 2.079 nan 8.290 nan 0.000 0.547 355 V N 1.300 120.839 119.914 -0.626 0.000 2.311 355 V HA 0.575 4.695 4.120 -0.000 0.000 0.275 355 V C 1.442 177.549 176.094 0.021 0.000 1.022 355 V CA 0.937 63.233 62.300 -0.007 0.000 0.830 355 V CB 0.063 32.114 31.823 0.379 0.000 1.012 355 V HN 2.639 nan 8.190 nan 0.000 0.452 356 G N 4.269 113.009 108.800 -0.099 0.000 2.196 356 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.268 356 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.268 356 G C 0.687 175.374 174.900 -0.354 0.000 0.975 356 G CA 0.569 45.350 45.100 -0.533 0.000 0.648 356 G HN 0.567 nan 8.290 nan 0.000 0.538 357 L N 0.325 121.369 121.223 -0.299 0.000 2.079 357 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 357 L C 3.079 179.836 176.870 -0.188 0.000 1.081 357 L CA 2.237 56.926 54.840 -0.250 0.000 0.752 357 L CB -1.195 40.649 42.059 -0.358 0.000 0.896 357 L HN 0.536 nan 8.230 nan 0.000 0.433 358 C N -0.937 118.277 119.300 -0.143 0.000 2.453 358 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 358 C C 2.596 177.558 174.990 -0.048 0.000 1.262 358 C CA 0.351 59.363 59.018 -0.011 0.000 1.718 358 C CB -0.706 27.190 27.740 0.260 0.000 2.031 358 C HN 0.491 nan 8.230 nan 0.000 0.480 359 E N 0.977 121.118 120.200 -0.100 0.000 2.130 359 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 359 E C 2.001 178.630 176.600 0.047 0.000 0.998 359 E CA 1.151 57.495 56.400 -0.093 0.000 0.806 359 E CB -0.312 29.173 29.700 -0.358 0.000 0.738 359 E HN 0.603 nan 8.360 nan 0.000 0.459 360 L N -0.780 120.420 121.223 -0.038 0.000 2.022 360 L HA -0.058 4.282 4.340 -0.000 0.000 0.204 360 L C 2.343 179.366 176.870 0.256 0.000 1.076 360 L CA 0.578 55.453 54.840 0.058 0.000 0.749 360 L CB -0.678 41.224 42.059 -0.261 0.000 0.903 360 L HN 0.027 nan 8.230 nan 0.000 0.439 361 V N 0.928 120.863 119.914 0.036 0.000 2.688 361 V HA -0.289 3.831 4.120 -0.000 0.000 0.256 361 V C 2.639 178.649 176.094 -0.141 0.000 1.084 361 V CA 2.056 64.346 62.300 -0.016 0.000 1.103 361 V CB -0.520 31.256 31.823 -0.079 0.000 0.688 361 V HN 0.675 nan 8.190 nan 0.000 0.480 362 Q N -1.130 118.515 119.800 -0.258 0.000 2.135 362 Q HA -0.298 4.042 4.340 -0.000 0.000 0.204 362 Q C 1.886 177.664 176.000 -0.369 0.000 0.981 362 Q CA 2.481 57.970 55.803 -0.523 0.000 0.856 362 Q CB -0.657 27.695 28.738 -0.645 0.000 0.902 362 Q HN 0.747 nan 8.270 nan 0.000 0.425 363 H N 0.813 119.846 119.070 -0.062 0.000 2.389 363 H HA 0.002 4.558 4.556 -0.000 0.000 0.299 363 H C 2.021 177.343 175.328 -0.008 0.000 1.081 363 H CA 1.713 57.790 56.048 0.048 0.000 1.345 363 H CB 0.006 29.816 29.762 0.081 0.000 1.393 363 H HN 0.141 nan 8.280 nan 0.000 0.520 364 L N 0.015 121.275 121.223 0.063 0.000 2.056 364 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 364 L C 1.741 178.570 176.870 -0.068 0.000 1.078 364 L CA 0.333 55.162 54.840 -0.018 0.000 0.749 364 L CB -0.522 41.522 42.059 -0.026 0.000 0.901 364 L HN 0.250 nan 8.230 nan 0.000 0.433 368 D N -0.365 120.110 120.400 0.124 0.000 2.117 368 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 368 D C 1.622 178.010 176.300 0.147 0.000 0.987 368 D CA 2.032 56.093 54.000 0.103 0.000 0.829 368 D CB -0.210 40.638 40.800 0.080 0.000 0.961 368 D HN 0.459 nan 8.370 nan 0.000 0.460 369 F N 0.263 120.272 119.950 0.097 0.000 2.075 369 F HA -0.171 4.356 4.527 -0.000 0.000 0.297 369 F C 2.001 177.835 175.800 0.056 0.000 1.113 369 F CA 1.327 59.370 58.000 0.073 0.000 1.218 369 F CB -0.296 38.761 39.000 0.095 0.000 0.984 369 F HN -0.093 nan 8.300 nan 0.000 0.472 370 V N 0.441 120.341 119.914 -0.023 0.000 2.244 370 V HA -0.239 3.881 4.120 -0.000 0.000 0.244 370 V C 2.493 178.529 176.094 -0.096 0.000 1.042 370 V CA 2.041 64.281 62.300 -0.100 0.000 1.006 370 V CB -1.312 30.630 31.823 0.199 0.000 0.641 370 V HN 0.480 nan 8.190 nan 0.000 0.446 371 A N -1.787 121.028 122.820 -0.007 0.000 2.267 371 A HA 0.301 4.621 4.320 -0.000 0.000 0.213 371 A C 1.907 179.477 177.584 -0.023 0.000 1.192 371 A CA 0.915 52.944 52.037 -0.015 0.000 0.851 371 A CB 0.060 19.069 19.000 0.015 0.000 0.881 371 A HN 0.580 nan 8.150 nan 0.000 0.494 372 I N -2.581 117.974 120.570 -0.026 0.000 4.399 372 I HA 0.032 4.202 4.170 -0.000 0.000 0.301 372 I C 1.847 177.948 176.117 -0.025 0.000 1.198 372 I CA 1.436 62.726 61.300 -0.016 0.000 1.315 372 I CB 0.401 38.405 38.000 0.007 0.000 1.452 372 I HN 0.202 nan 8.210 nan 0.000 0.457 373 T N -2.602 111.936 114.554 -0.026 0.000 3.056 373 T HA 0.328 4.678 4.350 -0.000 0.000 0.241 373 T C 1.633 176.289 174.700 -0.073 0.000 1.006 373 T CA 0.778 62.867 62.100 -0.018 0.000 1.115 373 T CB 0.229 69.118 68.868 0.035 0.000 0.939 373 T HN 0.704 nan 8.240 nan 0.000 0.462 374 G N 1.953 110.638 108.800 -0.192 0.000 2.153 374 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 374 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 374 G C -0.065 174.815 174.900 -0.033 0.000 0.994 374 G CA 0.603 45.452 45.100 -0.418 0.000 0.698 374 G HN 0.748 nan 8.290 nan 0.000 0.521 378 D N 1.203 121.552 120.400 -0.085 0.000 2.349 378 D HA 0.029 4.669 4.640 -0.000 0.000 0.214 378 D C 0.971 177.239 176.300 -0.054 0.000 1.063 378 D CA 0.088 54.081 54.000 -0.012 0.000 0.847 378 D CB 0.601 41.413 40.800 0.019 0.000 0.933 378 D HN 0.144 nan 8.370 nan 0.000 0.513 379 R N -0.619 119.726 120.500 -0.259 0.000 3.015 379 R HA 0.844 5.184 4.340 -0.000 0.000 0.258 379 R C -1.425 174.577 176.300 -0.496 0.000 1.172 379 R CA -0.957 54.640 56.100 -0.838 0.000 1.003 379 R CB 0.697 30.436 30.300 -0.935 0.000 1.326 379 R HN -0.029 nan 8.270 nan 0.000 0.449 380 A N 0.131 122.606 122.820 -0.576 0.000 2.583 380 A HA 0.543 4.863 4.320 -0.000 0.000 0.292 380 A C -1.385 176.367 177.584 0.279 0.000 1.045 380 A CA -0.860 51.273 52.037 0.160 0.000 0.672 380 A CB 1.090 20.357 19.000 0.446 0.000 1.283 380 A HN 0.553 nan 8.150 nan 0.000 0.419 381 I N 1.258 122.002 120.570 0.289 0.000 2.385 381 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 381 I C 0.644 176.871 176.117 0.185 0.000 0.988 381 I CA -0.354 61.006 61.300 0.101 0.000 1.265 381 I CB 1.627 39.450 38.000 -0.295 0.000 1.388 381 I HN 0.860 nan 8.210 nan 0.000 0.480 382 E N 5.541 125.710 120.200 -0.052 0.000 2.373 382 E HA 0.200 4.550 4.350 -0.000 0.000 0.267 382 E C -1.586 174.972 176.600 -0.070 0.000 1.032 382 E CA -0.180 55.895 56.400 -0.541 0.000 0.889 382 E CB 0.913 30.346 29.700 -0.446 0.000 0.984 382 E HN 0.438 nan 8.360 nan 0.000 0.425 383 F N 4.149 123.928 119.950 -0.285 0.000 2.578 383 F HA 0.536 5.063 4.527 -0.000 0.000 0.311 383 F C -1.805 173.937 175.800 -0.098 0.000 1.094 383 F CA -0.636 57.324 58.000 -0.067 0.000 0.923 383 F CB 1.548 40.517 39.000 -0.052 0.000 1.230 383 F HN 0.216 nan 8.300 nan 0.000 0.450 384 V N 3.935 123.209 119.914 -1.068 0.000 2.808 384 V HA 0.249 4.369 4.120 -0.000 0.000 0.308 384 V C -1.320 174.290 176.094 -0.807 0.000 1.099 384 V CA -0.825 61.089 62.300 -0.643 0.000 0.920 384 V CB 1.869 33.604 31.823 -0.148 0.000 1.014 384 V HN 0.680 nan 8.190 nan 0.000 0.425 385 D N 2.792 122.988 120.400 -0.339 0.000 2.563 385 D HA 0.359 4.999 4.640 -0.000 0.000 0.222 385 D C -0.567 175.695 176.300 -0.063 0.000 1.145 385 D CA 0.193 54.175 54.000 -0.030 0.000 1.001 385 D CB -0.311 40.588 40.800 0.166 0.000 1.049 385 D HN 0.672 nan 8.370 nan 0.000 0.515 386 H N 1.643 120.557 119.070 -0.258 0.000 2.930 386 H HA 0.267 4.823 4.556 -0.000 0.000 0.371 386 H C 0.466 175.489 175.328 -0.508 0.000 1.169 386 H CA -0.880 54.994 56.048 -0.289 0.000 1.157 386 H CB 1.352 31.009 29.762 -0.175 0.000 1.789 386 H HN -0.119 nan 8.280 nan 0.000 0.547 387 L N 1.335 122.421 121.223 -0.229 0.000 4.245 387 L HA -0.312 4.028 4.340 -0.000 0.000 0.438 387 L C 1.117 178.007 176.870 0.034 0.000 1.121 387 L CA 1.044 55.763 54.840 -0.201 0.000 0.984 387 L CB -2.230 39.487 42.059 -0.571 0.000 1.873 387 L HN 0.874 nan 8.230 nan 0.000 1.054 388 H N 0.844 120.013 119.070 0.164 0.000 2.491 388 H HA -0.081 4.475 4.556 -0.000 0.000 0.290 388 H C 2.097 177.572 175.328 0.245 0.000 1.050 388 H CA 1.545 57.739 56.048 0.243 0.000 1.309 388 H CB 0.242 30.100 29.762 0.160 0.000 1.392 388 H HN 0.709 nan 8.280 nan 0.000 0.554 389 Q N 0.960 120.867 119.800 0.178 0.000 2.436 389 Q HA -0.123 4.217 4.340 -0.000 0.000 0.209 389 Q C 0.548 176.540 176.000 -0.014 0.000 0.965 389 Q CA 1.118 56.940 55.803 0.031 0.000 0.910 389 Q CB -0.539 28.112 28.738 -0.144 0.000 0.980 389 Q HN 0.561 nan 8.270 nan 0.000 0.491 390 H N -0.766 118.343 119.070 0.065 0.000 2.539 390 H HA 0.297 4.853 4.556 -0.000 0.000 0.267 390 H C -0.694 174.398 175.328 -0.394 0.000 0.982 390 H CA -0.071 55.926 56.048 -0.085 0.000 1.146 390 H CB -0.007 29.575 29.762 -0.300 0.000 1.382 390 H HN 0.079 nan 8.280 nan 0.000 0.577 391 F N -0.567 119.415 119.950 0.053 0.000 2.508 391 F HA 0.191 4.718 4.527 -0.000 0.000 0.325 391 F C 0.581 176.239 175.800 -0.238 0.000 1.090 391 F CA -0.986 56.947 58.000 -0.111 0.000 0.945 391 F CB 1.486 40.499 39.000 0.020 0.000 1.156 391 F HN -0.140 nan 8.300 nan 0.000 0.463 392 L N 0.925 122.014 121.223 -0.223 0.000 2.141 392 L HA -0.103 4.237 4.340 -0.000 0.000 0.209 392 L C 0.761 177.664 176.870 0.055 0.000 1.094 392 L CA 1.597 56.335 54.840 -0.170 0.000 0.763 392 L CB -0.374 41.581 42.059 -0.174 0.000 0.908 392 L HN 0.535 nan 8.230 nan 0.000 0.437 393 D N 0.067 120.537 120.400 0.117 0.000 2.634 393 D HA 0.164 4.804 4.640 -0.000 0.000 0.318 393 D C -2.400 173.987 176.300 0.145 0.000 1.226 393 D CA -2.134 51.946 54.000 0.133 0.000 0.899 393 D CB 0.588 41.474 40.800 0.142 0.000 1.025 393 D HN -0.008 nan 8.370 nan 0.000 0.501 394 P HA 0.005 nan 4.420 nan 0.000 0.269 394 P C 0.436 177.773 177.300 0.063 0.000 1.209 394 P CA -0.437 62.752 63.100 0.149 0.000 0.776 394 P CB 1.023 32.839 31.700 0.195 0.000 0.876 395 V N 1.182 121.102 119.914 0.009 0.000 3.139 395 V HA 0.224 4.344 4.120 -0.000 0.000 0.307 395 V C 0.383 176.429 176.094 -0.080 0.000 1.095 395 V CA -0.175 62.132 62.300 0.012 0.000 1.160 395 V CB -0.409 31.491 31.823 0.128 0.000 1.003 395 V HN 0.452 nan 8.190 nan 0.000 0.489 396 R N 3.564 124.011 120.500 -0.089 0.000 2.451 396 R HA 0.612 4.952 4.340 -0.000 0.000 0.307 396 R C -1.259 174.866 176.300 -0.293 0.000 0.965 396 R CA -0.693 55.313 56.100 -0.157 0.000 0.865 396 R CB 1.646 31.899 30.300 -0.077 0.000 1.174 396 R HN 0.630 nan 8.270 nan 0.000 0.455 397 I N 3.096 123.406 120.570 -0.433 0.000 2.321 397 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 397 I C -0.044 175.838 176.117 -0.392 0.000 0.998 397 I CA -0.223 60.727 61.300 -0.584 0.000 1.227 397 I CB 1.478 38.927 38.000 -0.919 0.000 1.368 397 I HN 0.615 nan 8.210 nan 0.000 0.466 398 Q N 6.618 126.222 119.800 -0.326 0.000 2.363 398 Q HA 0.190 4.530 4.340 -0.000 0.000 0.265 398 Q C -0.199 175.686 176.000 -0.191 0.000 1.032 398 Q CA -0.427 55.251 55.803 -0.209 0.000 0.746 398 Q CB 0.523 29.180 28.738 -0.135 0.000 1.237 398 Q HN 0.637 nan 8.270 nan 0.000 0.475 399 H N 3.013 121.881 119.070 -0.338 0.000 2.591 399 H HA -0.225 4.331 4.556 -0.000 0.000 0.325 399 H C 0.495 175.540 175.328 -0.470 0.000 1.096 399 H CA 1.373 57.212 56.048 -0.348 0.000 1.108 399 H CB -0.802 28.831 29.762 -0.216 0.000 1.590 399 H HN 1.174 nan 8.280 nan 0.000 0.399 400 G N 1.425 109.667 108.800 -0.930 0.000 2.198 400 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 400 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 400 G C 0.121 174.714 174.900 -0.511 0.000 1.025 400 G CA 0.743 45.188 45.100 -1.091 0.000 0.769 400 G HN 0.696 nan 8.290 nan 0.000 0.507 401 R N -1.684 118.559 120.500 -0.428 0.000 2.698 401 R HA 0.467 4.807 4.340 -0.000 0.000 0.275 401 R C -1.082 175.069 176.300 -0.248 0.000 1.001 401 R CA -0.954 55.016 56.100 -0.216 0.000 0.896 401 R CB 1.278 31.498 30.300 -0.134 0.000 1.218 401 R HN 0.111 nan 8.270 nan 0.000 0.462 402 Y N 2.069 122.287 120.300 -0.137 0.000 2.359 402 Y HA 0.193 4.743 4.550 -0.000 0.000 0.334 402 Y C 0.429 176.233 175.900 -0.159 0.000 1.058 402 Y CA 0.028 58.033 58.100 -0.158 0.000 1.244 402 Y CB 0.727 39.099 38.460 -0.147 0.000 1.187 402 Y HN 0.231 nan 8.280 nan 0.000 0.510 403 L N 4.097 125.308 121.223 -0.019 0.000 2.305 403 L HA 0.420 4.760 4.340 -0.000 0.000 0.281 403 L C 0.403 177.241 176.870 -0.053 0.000 1.085 403 L CA -0.935 53.877 54.840 -0.047 0.000 0.813 403 L CB 0.825 42.854 42.059 -0.049 0.000 1.157 403 L HN 0.705 nan 8.230 nan 0.000 0.436 404 A N 6.489 129.242 122.820 -0.112 0.000 2.522 404 A HA 0.300 4.620 4.320 -0.000 0.000 0.256 404 A C -2.004 175.614 177.584 0.056 0.000 1.086 404 A CA -0.935 50.983 52.037 -0.199 0.000 0.763 404 A CB -0.726 18.082 19.000 -0.320 0.000 1.024 404 A HN 0.451 nan 8.150 nan 0.000 0.502 405 P HA 0.107 nan 4.420 nan 0.000 0.269 405 P C -0.144 177.384 177.300 0.379 0.000 1.215 405 P CA 0.237 63.472 63.100 0.226 0.000 0.780 405 P CB 0.899 32.716 31.700 0.195 0.000 0.898 406 E N -0.158 120.192 120.200 0.250 0.000 2.391 406 E HA 0.089 4.439 4.350 -0.000 0.000 0.206 406 E C 0.195 176.882 176.600 0.146 0.000 0.851 406 E CA -0.107 56.414 56.400 0.202 0.000 1.059 406 E CB 0.274 30.063 29.700 0.148 0.000 1.065 406 E HN 0.144 nan 8.360 nan 0.000 0.512 407 V N 3.659 123.660 119.914 0.145 0.000 2.999 407 V HA 0.038 4.158 4.120 -0.000 0.000 0.307 407 V C -2.196 173.965 176.094 0.112 0.000 1.084 407 V CA -1.094 61.275 62.300 0.114 0.000 1.155 407 V CB 0.254 32.145 31.823 0.114 0.000 0.975 407 V HN 0.018 nan 8.190 nan 0.000 0.490 408 P HA 0.488 nan 4.420 nan 0.000 0.271 408 P C 0.241 177.570 177.300 0.049 0.000 1.216 408 P CA 1.039 64.160 63.100 0.036 0.000 0.776 408 P CB 0.700 32.407 31.700 0.013 0.000 0.881 409 G N 1.366 110.167 108.800 0.002 0.000 2.373 409 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.634 409 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.634 409 G C -0.488 174.373 174.900 -0.065 0.000 1.267 409 G CA -0.704 44.404 45.100 0.013 0.000 1.008 409 G HN 0.443 nan 8.290 nan 0.000 0.497 410 F N 0.930 120.789 119.950 -0.152 0.000 2.727 410 F HA 0.324 4.851 4.527 -0.000 0.000 0.302 410 F C 1.728 177.493 175.800 -0.059 0.000 1.097 410 F CA 0.562 58.386 58.000 -0.294 0.000 1.330 410 F CB 0.206 39.153 39.000 -0.089 0.000 1.084 410 F HN 0.760 nan 8.300 nan 0.000 0.578 411 S N -0.101 115.770 115.700 0.286 0.000 3.476 411 S HA -0.293 4.177 4.470 -0.000 0.000 0.309 411 S C 1.008 175.714 174.600 0.176 0.000 1.222 411 S CA 0.466 58.821 58.200 0.260 0.000 0.922 411 S CB -1.845 61.567 63.200 0.353 0.000 1.023 411 S HN 0.592 nan 8.310 nan 0.000 0.591 412 A N 0.214 123.155 122.820 0.202 0.000 2.081 412 A HA 0.239 4.559 4.320 -0.000 0.000 0.214 412 A C 0.922 178.746 177.584 0.401 0.000 1.158 412 A CA 0.669 52.867 52.037 0.267 0.000 0.724 412 A CB -0.042 19.077 19.000 0.197 0.000 0.826 412 A HN 0.680 nan 8.150 nan 0.000 0.463 416 P HA -0.146 nan 4.420 nan 0.000 0.216 416 P C 1.361 178.706 177.300 0.075 0.000 1.150 416 P CA 2.230 65.377 63.100 0.079 0.000 0.843 416 P CB 0.242 31.998 31.700 0.093 0.000 0.787 417 A N -0.891 121.985 122.820 0.093 0.000 1.972 417 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 417 A C 2.318 179.974 177.584 0.121 0.000 1.169 417 A CA 2.089 54.170 52.037 0.073 0.000 0.635 417 A CB -1.414 17.607 19.000 0.034 0.000 0.810 417 A HN 0.136 nan 8.150 nan 0.000 0.446 418 S N -0.301 115.517 115.700 0.196 0.000 2.355 418 S HA -0.102 4.368 4.470 -0.000 0.000 0.222 418 S C 1.746 176.496 174.600 0.250 0.000 1.031 418 S CA 1.451 59.870 58.200 0.366 0.000 0.993 418 S CB -0.397 63.066 63.200 0.439 0.000 0.859 418 S HN 0.447 nan 8.310 nan 0.000 0.453 419 I N 2.221 122.829 120.570 0.063 0.000 2.226 419 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 419 I C 2.517 178.666 176.117 0.053 0.000 1.100 419 I CA 1.058 62.348 61.300 -0.017 0.000 1.374 419 I CB -0.796 37.098 38.000 -0.177 0.000 1.057 419 I HN 0.235 nan 8.210 nan 0.000 0.413 420 A N -0.409 122.441 122.820 0.051 0.000 1.972 420 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 420 A C 2.296 179.889 177.584 0.014 0.000 1.169 420 A CA 2.046 54.111 52.037 0.048 0.000 0.635 420 A CB -0.508 18.516 19.000 0.040 0.000 0.810 420 A HN 0.420 nan 8.150 nan 0.000 0.446 421 E N -1.267 118.918 120.200 -0.024 0.000 2.140 421 E HA 0.059 4.409 4.350 -0.000 0.000 0.191 421 E C 0.752 177.080 176.600 -0.454 0.000 0.973 421 E CA 0.862 57.110 56.400 -0.253 0.000 0.829 421 E CB -0.185 29.304 29.700 -0.352 0.000 0.781 421 E HN 0.568 nan 8.360 nan 0.000 0.466 422 F N 0.181 120.153 119.950 0.036 0.000 2.654 422 F HA 0.386 4.913 4.527 0.000 0.000 0.303 422 F C 0.584 176.527 175.800 0.239 0.000 1.099 422 F CA -0.391 57.637 58.000 0.047 0.000 1.270 422 F CB 0.504 39.342 39.000 -0.270 0.000 1.024 422 F HN -0.247 nan 8.300 nan 0.000 0.548 423 S N 0.400 116.280 115.700 0.301 0.000 2.568 423 S HA 0.018 4.488 4.470 -0.000 0.000 0.282 423 S C -0.843 173.971 174.600 0.357 0.000 1.338 423 S CA 0.074 58.441 58.200 0.277 0.000 1.045 423 S CB 0.318 63.653 63.200 0.225 0.000 0.873 423 S HN 0.290 nan 8.310 nan 0.000 0.516 424 Y N 4.730 125.084 120.300 0.089 0.000 2.364 424 Y HA 0.472 5.022 4.550 0.000 0.000 0.340 424 Y C -1.979 173.909 175.900 -0.021 0.000 0.975 424 Y CA -2.013 56.060 58.100 -0.045 0.000 1.089 424 Y CB 1.868 40.159 38.460 -0.281 0.000 1.192 424 Y HN 0.429 nan 8.280 nan 0.000 0.454 425 P HA 0.131 nan 4.420 nan 0.000 0.278 425 P C -0.462 176.717 177.300 -0.201 0.000 1.502 425 P CA 0.143 62.793 63.100 -0.749 0.000 1.114 425 P CB 0.437 31.468 31.700 -1.116 0.000 1.541 426 D N -0.842 119.521 120.400 -0.061 0.000 2.339 426 D HA 0.069 4.709 4.640 -0.000 0.000 0.217 426 D C 1.083 177.423 176.300 0.066 0.000 1.050 426 D CA -0.110 53.893 54.000 0.005 0.000 0.856 426 D CB -0.581 40.226 40.800 0.011 0.000 0.922 426 D HN -0.001 nan 8.370 nan 0.000 0.518 427 G N 0.349 109.232 108.800 0.139 0.000 2.667 427 G HA2 0.025 3.985 3.960 -0.000 0.000 0.250 427 G HA3 0.025 3.985 3.960 -0.000 0.000 0.250 427 G C 0.723 175.673 174.900 0.083 0.000 1.212 427 G CA -0.580 44.604 45.100 0.141 0.000 0.874 427 G HN 0.075 nan 8.290 nan 0.000 0.561 428 R N -0.106 120.392 120.500 -0.003 0.000 2.057 428 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 428 R C 2.239 178.482 176.300 -0.094 0.000 1.136 428 R CA 1.213 57.282 56.100 -0.051 0.000 0.952 428 R CB -0.407 29.844 30.300 -0.082 0.000 0.848 428 R HN 0.550 nan 8.270 nan 0.000 0.430 429 F N -0.038 119.676 119.950 -0.395 0.000 2.126 429 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 429 F C 1.377 176.933 175.800 -0.406 0.000 1.096 429 F CA 1.684 59.361 58.000 -0.539 0.000 1.255 429 F CB -0.371 38.012 39.000 -1.029 0.000 0.997 429 F HN 0.083 nan 8.300 nan 0.000 0.479 430 W N -1.148 120.304 121.300 0.253 0.000 2.678 430 W HA 0.113 4.773 4.660 -0.000 0.000 0.256 430 W C 1.743 178.275 176.519 0.022 0.000 1.280 430 W CA 0.358 57.828 57.345 0.209 0.000 1.345 430 W CB -0.303 29.321 29.460 0.273 0.000 1.118 430 W HN -0.234 nan 8.180 nan 0.000 0.629 431 V N 1.307 121.303 119.914 0.135 0.000 3.350 431 V HA 0.111 4.231 4.120 -0.000 0.000 0.354 431 V C 0.149 176.230 176.094 -0.022 0.000 1.257 431 V CA 0.813 63.141 62.300 0.046 0.000 1.323 431 V CB -1.007 30.825 31.823 0.014 0.000 1.201 431 V HN 0.114 nan 8.190 nan 0.000 0.447 432 E N 0.000 120.167 120.200 -0.055 0.000 2.725 432 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 432 E CA 0.000 56.320 56.400 -0.134 0.000 0.976 432 E CB 0.000 29.550 29.700 -0.250 0.000 0.812 432 E HN 0.000 nan 8.360 nan 0.000 0.440