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 3i4k_1_B DATA FIRST_RESID 5 DATA SEQUENCE DLTIQKVESR ILDVPLIRPH GFATTTSTEQ HILLVSVHLE NGVIGYGEGV DATA SEQUENCE VPGGPWWGGE SVETXKALVD GYLAPVLIGR AVSELAGIXA DLERVVARAR DATA SEQUENCE YAKAAVDVAX HDAWARSLNV PVRDLLGGTV RDKVDVTWAL GVLPLDVAVA DATA SEQUENCE EIEERIEEFG NRSFKLKXGA GDPAEDTRRV AELAREVGDR VSLRIDINAR DATA SEQUENCE WDRRTALHYL PILAEAGVEL FEQPTPADDL ETLREITRRT NVSVXADESV DATA SEQUENCE WTPAEALAVV KAQAADVIAL KTTKHGGLLE SKKIAAIAEA GGLACHGATS DATA SEQUENCE LEGPIGTAAS LQFAASTKAI SYGTELFGPQ LLKDTYIVQE FEYKDGQVAI DATA SEQUENCE PQGPGLGVDV DXDKVNFYTR 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.304 176.300 0.007 0.000 2.045 5 D CA 0.000 54.004 54.000 0.007 0.000 0.868 5 D CB 0.000 40.809 40.800 0.014 0.000 0.688 6 L N 1.538 122.758 121.223 -0.005 0.000 2.607 6 L HA 0.455 4.795 4.340 -0.000 0.000 0.228 6 L C -0.019 176.815 176.870 -0.059 0.000 1.123 6 L CA 0.777 55.604 54.840 -0.021 0.000 0.890 6 L CB -0.058 41.982 42.059 -0.031 0.000 1.103 6 L HN 0.011 nan 8.230 nan 0.000 0.468 7 T N 1.084 115.612 114.554 -0.043 0.000 2.871 7 T HA 0.046 4.395 4.350 -0.000 0.000 0.296 7 T C 0.363 175.038 174.700 -0.040 0.000 0.998 7 T CA 0.012 62.084 62.100 -0.048 0.000 1.162 7 T CB 0.118 68.968 68.868 -0.030 0.000 0.947 7 T HN -0.133 nan 8.240 nan 0.000 0.536 8 I N 4.640 125.178 120.570 -0.055 0.000 2.494 8 I HA 0.058 4.228 4.170 -0.000 0.000 0.289 8 I C 1.504 177.613 176.117 -0.014 0.000 1.106 8 I CA 0.402 61.678 61.300 -0.039 0.000 1.369 8 I CB 0.861 38.827 38.000 -0.057 0.000 1.410 8 I HN 0.583 nan 8.210 nan 0.000 0.523 9 Q N 4.735 124.541 119.800 0.010 0.000 2.165 9 Q HA 0.137 4.477 4.340 -0.000 0.000 0.197 9 Q C 0.660 176.674 176.000 0.024 0.000 0.952 9 Q CA 0.884 56.695 55.803 0.012 0.000 0.848 9 Q CB 0.323 29.070 28.738 0.014 0.000 0.931 9 Q HN 0.603 nan 8.270 nan 0.000 0.470 10 K N 0.003 120.444 120.400 0.067 0.000 2.508 10 K HA 0.440 4.760 4.320 -0.000 0.000 0.260 10 K C -1.511 175.192 176.600 0.172 0.000 0.949 10 K CA -0.558 55.785 56.287 0.095 0.000 0.834 10 K CB 2.336 34.865 32.500 0.048 0.000 1.365 10 K HN -0.107 nan 8.250 nan 0.000 0.437 11 V N -0.228 119.762 119.914 0.127 0.000 2.525 11 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 11 V C -0.958 175.201 176.094 0.109 0.000 1.034 11 V CA -0.773 61.581 62.300 0.090 0.000 0.863 11 V CB 1.314 33.153 31.823 0.027 0.000 0.999 11 V HN 0.852 nan 8.190 nan 0.000 0.423 12 E N 2.835 123.117 120.200 0.136 0.000 2.299 12 E HA 0.814 5.163 4.350 -0.000 0.000 0.265 12 E C -0.733 175.926 176.600 0.098 0.000 0.911 12 E CA -0.820 55.658 56.400 0.130 0.000 0.789 12 E CB 2.426 32.248 29.700 0.204 0.000 1.246 12 E HN 0.942 nan 8.360 nan 0.000 0.427 13 S N 1.601 117.351 115.700 0.085 0.000 2.575 13 S HA 0.615 5.084 4.470 -0.000 0.000 0.278 13 S C -0.717 173.921 174.600 0.064 0.000 1.139 13 S CA -1.051 57.194 58.200 0.075 0.000 0.954 13 S CB 1.426 64.662 63.200 0.059 0.000 1.054 13 S HN 0.453 nan 8.310 nan 0.000 0.483 14 R N 1.993 122.530 120.500 0.061 0.000 2.621 14 R HA 0.535 4.875 4.340 -0.000 0.000 0.292 14 R C -0.882 175.425 176.300 0.011 0.000 0.969 14 R CA -0.712 55.409 56.100 0.035 0.000 0.887 14 R CB 1.856 32.178 30.300 0.036 0.000 1.180 14 R HN 0.659 nan 8.270 nan 0.000 0.450 15 I N 4.630 125.202 120.570 0.002 0.000 2.352 15 I HA 0.170 4.340 4.170 -0.000 0.000 0.290 15 I C -0.150 175.957 176.117 -0.017 0.000 1.036 15 I CA -0.213 61.084 61.300 -0.004 0.000 1.336 15 I CB 0.549 38.544 38.000 -0.009 0.000 1.407 15 I HN 0.325 nan 8.210 nan 0.000 0.497 16 L N 6.274 127.477 121.223 -0.033 0.000 2.296 16 L HA 0.412 4.752 4.340 -0.000 0.000 0.286 16 L C -0.671 176.196 176.870 -0.005 0.000 1.023 16 L CA -0.643 54.160 54.840 -0.062 0.000 0.812 16 L CB 1.284 43.209 42.059 -0.223 0.000 1.223 16 L HN 0.488 nan 8.230 nan 0.000 0.421 17 D N 3.547 123.964 120.400 0.029 0.000 2.473 17 D HA 0.193 4.832 4.640 -0.000 0.000 0.226 17 D C -0.599 175.681 176.300 -0.033 0.000 1.089 17 D CA 0.049 54.089 54.000 0.066 0.000 0.883 17 D CB 2.511 43.380 40.800 0.115 0.000 1.029 17 D HN 0.100 nan 8.370 nan 0.000 0.517 18 V N 3.679 123.503 119.914 -0.149 0.000 2.370 18 V HA 0.375 4.495 4.120 -0.000 0.000 0.283 18 V C -2.533 173.451 176.094 -0.183 0.000 1.023 18 V CA -2.206 59.895 62.300 -0.331 0.000 0.857 18 V CB 1.822 33.413 31.823 -0.387 0.000 0.985 18 V HN 0.179 nan 8.190 nan 0.000 0.443 19 P HA 0.190 nan 4.420 nan 0.000 0.269 19 P C -0.942 176.336 177.300 -0.038 0.000 1.209 19 P CA -0.091 62.987 63.100 -0.036 0.000 0.776 19 P CB 0.489 32.211 31.700 0.037 0.000 0.876 20 L N 2.531 123.744 121.223 -0.017 0.000 2.375 20 L HA 0.310 4.650 4.340 -0.000 0.000 0.268 20 L C 1.676 178.560 176.870 0.023 0.000 1.058 20 L CA -0.086 54.750 54.840 -0.008 0.000 0.803 20 L CB 0.187 42.236 42.059 -0.017 0.000 1.212 20 L HN 0.379 nan 8.230 nan 0.000 0.451 21 I N 0.048 120.641 120.570 0.037 0.000 2.252 21 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 21 I C 0.586 176.734 176.117 0.051 0.000 1.102 21 I CA 1.087 62.418 61.300 0.052 0.000 1.385 21 I CB -0.156 37.884 38.000 0.066 0.000 1.064 21 I HN 0.536 nan 8.210 nan 0.000 0.414 22 R N -0.046 120.487 120.500 0.056 0.000 2.795 22 R HA 0.445 4.785 4.340 -0.000 0.000 0.275 22 R C -2.629 173.700 176.300 0.048 0.000 0.981 22 R CA -1.896 54.235 56.100 0.053 0.000 0.917 22 R CB 0.923 31.264 30.300 0.068 0.000 1.202 22 R HN -0.220 nan 8.270 nan 0.000 0.469 23 P HA 0.010 nan 4.420 nan 0.000 0.268 23 P C -1.085 176.223 177.300 0.013 0.000 1.204 23 P CA 0.033 63.143 63.100 0.017 0.000 0.768 23 P CB 0.417 32.115 31.700 -0.004 0.000 0.842 24 H N 1.403 120.379 119.070 -0.156 0.000 2.623 24 H HA 0.517 5.072 4.556 -0.000 0.000 0.299 24 H C 0.362 175.392 175.328 -0.497 0.000 1.052 24 H CA -0.189 55.666 56.048 -0.322 0.000 1.231 24 H CB 0.189 29.748 29.762 -0.338 0.000 1.389 24 H HN 0.448 nan 8.280 nan 0.000 0.469 25 G N 4.375 112.809 108.800 -0.609 0.000 2.353 25 G HA2 0.395 4.354 3.960 -0.000 0.000 0.284 25 G HA3 0.395 4.354 3.960 -0.000 0.000 0.284 25 G C -0.947 173.543 174.900 -0.684 0.000 1.172 25 G CA -0.246 44.550 45.100 -0.507 0.000 0.854 25 G HN 0.390 nan 8.290 nan 0.000 0.485 26 F N 0.840 120.633 119.950 -0.262 0.000 2.629 26 F HA 0.585 5.112 4.527 -0.000 0.000 0.386 26 F C 1.659 177.276 175.800 -0.305 0.000 1.135 26 F CA -0.247 57.573 58.000 -0.301 0.000 1.116 26 F CB 1.109 39.790 39.000 -0.531 0.000 1.426 26 F HN 0.499 nan 8.300 nan 0.000 0.501 27 A N -0.226 122.556 122.820 -0.063 0.000 1.908 27 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 27 A C 1.728 179.237 177.584 -0.125 0.000 1.181 27 A CA 2.615 54.600 52.037 -0.087 0.000 0.627 27 A CB -1.321 17.654 19.000 -0.041 0.000 0.818 27 A HN 0.796 nan 8.150 nan 0.000 0.445 28 T N -4.743 109.661 114.554 -0.250 0.000 3.043 28 T HA 0.344 4.694 4.350 -0.000 0.000 0.272 28 T C 0.393 174.950 174.700 -0.239 0.000 0.990 28 T CA 0.803 62.786 62.100 -0.196 0.000 0.897 28 T CB -0.183 68.607 68.868 -0.130 0.000 1.111 28 T HN 0.728 nan 8.240 nan 0.000 0.529 29 T N -1.113 113.235 114.554 -0.343 0.000 2.816 29 T HA 0.655 5.005 4.350 -0.000 0.000 0.299 29 T C -1.273 173.373 174.700 -0.090 0.000 1.230 29 T CA -0.637 61.321 62.100 -0.236 0.000 1.007 29 T CB 1.970 70.611 68.868 -0.378 0.000 1.289 29 T HN -0.035 nan 8.240 nan 0.000 0.508 30 T N 1.711 116.254 114.554 -0.018 0.000 2.937 30 T HA 0.608 4.958 4.350 -0.000 0.000 0.297 30 T C -0.581 174.160 174.700 0.068 0.000 0.991 30 T CA -0.600 61.495 62.100 -0.009 0.000 0.990 30 T CB 1.529 70.369 68.868 -0.047 0.000 0.991 30 T HN 0.690 nan 8.240 nan 0.000 0.440 31 S N 1.720 117.491 115.700 0.118 0.000 2.508 31 S HA 0.403 4.873 4.470 -0.000 0.000 0.284 31 S C 1.419 176.059 174.600 0.066 0.000 1.192 31 S CA -0.732 57.553 58.200 0.142 0.000 1.070 31 S CB 1.154 64.507 63.200 0.256 0.000 1.004 31 S HN 0.893 nan 8.310 nan 0.000 0.493 32 T N -0.904 113.677 114.554 0.045 0.000 2.990 32 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 32 T C 0.237 174.939 174.700 0.003 0.000 1.041 32 T CA -0.209 61.908 62.100 0.028 0.000 1.010 32 T CB -0.155 68.735 68.868 0.036 0.000 1.003 32 T HN 0.771 nan 8.240 nan 0.000 0.499 33 E N 0.335 120.512 120.200 -0.038 0.000 2.433 33 E HA 0.581 4.931 4.350 -0.000 0.000 0.278 33 E C -1.595 174.842 176.600 -0.272 0.000 0.976 33 E CA -1.245 55.086 56.400 -0.114 0.000 0.793 33 E CB 1.302 30.954 29.700 -0.079 0.000 1.311 33 E HN -0.006 nan 8.360 nan 0.000 0.460 34 Q N 1.295 120.932 119.800 -0.273 0.000 2.316 34 Q HA 0.287 4.627 4.340 -0.000 0.000 0.264 34 Q C -1.502 174.293 176.000 -0.342 0.000 0.987 34 Q CA -0.536 55.081 55.803 -0.309 0.000 0.852 34 Q CB 1.076 29.728 28.738 -0.144 0.000 1.287 34 Q HN 0.554 nan 8.270 nan 0.000 0.448 35 H N 4.360 123.423 119.070 -0.011 0.000 2.473 35 H HA 0.524 5.080 4.556 -0.000 0.000 0.327 35 H C -0.423 174.878 175.328 -0.045 0.000 1.105 35 H CA -0.375 55.656 56.048 -0.028 0.000 1.280 35 H CB 0.772 30.522 29.762 -0.019 0.000 1.450 35 H HN 0.594 nan 8.280 nan 0.000 0.492 36 I N 3.345 123.952 120.570 0.060 0.000 2.569 36 I HA 0.062 4.232 4.170 -0.000 0.000 0.290 36 I C -0.759 175.365 176.117 0.011 0.000 1.088 36 I CA -0.875 60.436 61.300 0.018 0.000 1.047 36 I CB 2.745 40.751 38.000 0.009 0.000 1.237 36 I HN 0.190 nan 8.210 nan 0.000 0.421 37 L N 7.130 128.365 121.223 0.020 0.000 2.259 37 L HA 0.454 4.794 4.340 -0.000 0.000 0.288 37 L C -0.911 175.988 176.870 0.048 0.000 1.051 37 L CA -0.288 54.568 54.840 0.027 0.000 0.824 37 L CB 0.974 43.051 42.059 0.030 0.000 1.206 37 L HN 0.505 nan 8.230 nan 0.000 0.429 38 L N 6.462 127.714 121.223 0.049 0.000 2.278 38 L HA 0.489 4.829 4.340 -0.000 0.000 0.287 38 L C -0.742 176.213 176.870 0.142 0.000 1.072 38 L CA 0.154 55.058 54.840 0.106 0.000 0.819 38 L CB 1.128 43.231 42.059 0.074 0.000 1.176 38 L HN 0.405 nan 8.230 nan 0.000 0.435 39 V N 4.299 124.304 119.914 0.152 0.000 2.435 39 V HA 0.648 4.768 4.120 -0.000 0.000 0.290 39 V C -0.082 176.057 176.094 0.075 0.000 1.030 39 V CA -0.389 61.974 62.300 0.104 0.000 0.881 39 V CB 1.740 33.602 31.823 0.065 0.000 0.983 39 V HN 0.902 nan 8.190 nan 0.000 0.445 40 S N 3.710 119.383 115.700 -0.044 0.000 2.502 40 S HA 0.767 5.237 4.470 -0.000 0.000 0.304 40 S C -0.982 173.344 174.600 -0.457 0.000 1.097 40 S CA -0.742 57.223 58.200 -0.391 0.000 1.045 40 S CB 1.762 64.646 63.200 -0.527 0.000 1.019 40 S HN 0.364 nan 8.310 nan 0.000 0.481 41 V N 4.698 124.316 119.914 -0.492 0.000 2.370 41 V HA 0.387 4.507 4.120 -0.000 0.000 0.283 41 V C -0.410 175.415 176.094 -0.449 0.000 1.023 41 V CA -0.535 61.566 62.300 -0.333 0.000 0.857 41 V CB 0.705 32.422 31.823 -0.177 0.000 0.985 41 V HN 0.895 nan 8.190 nan 0.000 0.443 42 H N 5.789 124.806 119.070 -0.088 0.000 2.556 42 H HA 0.499 5.055 4.556 -0.000 0.000 0.310 42 H C -0.401 174.898 175.328 -0.049 0.000 1.057 42 H CA -0.336 55.671 56.048 -0.070 0.000 1.264 42 H CB 1.573 31.305 29.762 -0.050 0.000 1.404 42 H HN 0.447 nan 8.280 nan 0.000 0.462 43 L N 1.582 122.833 121.223 0.047 0.000 2.375 43 L HA 0.117 4.456 4.340 -0.000 0.000 0.268 43 L C 1.883 178.773 176.870 0.033 0.000 1.058 43 L CA -0.554 54.300 54.840 0.023 0.000 0.803 43 L CB 1.136 43.200 42.059 0.007 0.000 1.212 43 L HN 0.532 nan 8.230 nan 0.000 0.451 44 E N 2.057 122.266 120.200 0.016 0.000 2.049 44 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 44 E C 1.441 178.054 176.600 0.020 0.000 1.007 44 E CA 2.354 58.763 56.400 0.014 0.000 0.809 44 E CB -0.259 29.444 29.700 0.005 0.000 0.749 44 E HN 0.740 nan 8.360 nan 0.000 0.450 45 N N -1.198 117.516 118.700 0.024 0.000 2.666 45 N HA -0.082 4.658 4.740 -0.000 0.000 0.194 45 N C 1.168 176.699 175.510 0.034 0.000 1.220 45 N CA 0.555 53.622 53.050 0.028 0.000 0.928 45 N CB -0.081 38.426 38.487 0.034 0.000 0.997 45 N HN 0.334 nan 8.380 nan 0.000 0.447 46 G N 0.016 108.840 108.800 0.039 0.000 2.179 46 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 46 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 46 G C 0.023 174.959 174.900 0.060 0.000 0.977 46 G CA 0.279 45.409 45.100 0.049 0.000 0.641 46 G HN 0.405 nan 8.290 nan 0.000 0.533 47 V N 1.405 121.348 119.914 0.048 0.000 2.775 47 V HA 0.672 4.792 4.120 -0.000 0.000 0.299 47 V C 0.515 176.615 176.094 0.010 0.000 1.062 47 V CA -0.356 61.968 62.300 0.041 0.000 1.063 47 V CB 1.051 32.899 31.823 0.042 0.000 0.994 47 V HN 0.305 nan 8.190 nan 0.000 0.483 48 I N 5.465 126.019 120.570 -0.028 0.000 2.569 48 I HA 0.669 4.839 4.170 -0.000 0.000 0.296 48 I C 0.434 176.373 176.117 -0.296 0.000 1.028 48 I CA -0.533 60.641 61.300 -0.210 0.000 1.082 48 I CB 2.022 39.893 38.000 -0.216 0.000 1.264 48 I HN 0.733 nan 8.210 nan 0.000 0.429 49 G N 4.005 112.537 108.800 -0.447 0.000 2.481 49 G HA2 0.712 4.672 3.960 -0.000 0.000 0.315 49 G HA3 0.712 4.672 3.960 -0.000 0.000 0.315 49 G C -1.848 172.741 174.900 -0.518 0.000 1.231 49 G CA -0.315 44.602 45.100 -0.305 0.000 0.968 49 G HN 0.389 nan 8.290 nan 0.000 0.482 50 Y N -0.527 119.787 120.300 0.022 0.000 2.499 50 Y HA 0.714 5.263 4.550 -0.000 0.000 0.347 50 Y C 0.644 176.579 175.900 0.057 0.000 0.987 50 Y CA -0.543 57.580 58.100 0.038 0.000 1.044 50 Y CB 2.974 41.477 38.460 0.071 0.000 1.245 50 Y HN 0.825 nan 8.280 nan 0.000 0.461 51 G N 1.186 110.117 108.800 0.218 0.000 2.659 51 G HA2 0.582 4.541 3.960 -0.000 0.000 0.296 51 G HA3 0.582 4.541 3.960 -0.000 0.000 0.296 51 G C -1.775 173.205 174.900 0.133 0.000 1.369 51 G CA -0.885 44.301 45.100 0.144 0.000 0.937 51 G HN 0.514 nan 8.290 nan 0.000 0.485 52 E N -0.190 120.066 120.200 0.095 0.000 2.166 52 E HA 0.519 4.868 4.350 -0.000 0.000 0.275 52 E C -0.059 176.566 176.600 0.042 0.000 0.941 52 E CA -0.710 55.735 56.400 0.076 0.000 0.784 52 E CB 1.982 31.723 29.700 0.067 0.000 1.115 52 E HN 0.524 nan 8.360 nan 0.000 0.399 53 G N 2.105 110.931 108.800 0.042 0.000 2.655 53 G HA2 0.440 4.399 3.960 -0.000 0.000 0.334 53 G HA3 0.440 4.399 3.960 -0.000 0.000 0.334 53 G C -1.134 173.767 174.900 0.003 0.000 1.099 53 G CA -0.248 44.875 45.100 0.038 0.000 1.075 53 G HN 0.313 nan 8.290 nan 0.000 0.463 54 V N 3.727 123.627 119.914 -0.023 0.000 2.888 54 V HA 0.781 4.900 4.120 -0.000 0.000 0.309 54 V C -0.617 175.308 176.094 -0.281 0.000 1.114 54 V CA -0.611 61.622 62.300 -0.113 0.000 0.940 54 V CB 2.262 34.033 31.823 -0.087 0.000 1.021 54 V HN 0.914 nan 8.190 nan 0.000 0.426 55 V N 3.369 123.025 119.914 -0.430 0.000 2.960 55 V HA 0.776 4.896 4.120 -0.000 0.000 0.315 55 V C -2.763 173.007 176.094 -0.541 0.000 1.087 55 V CA -2.869 58.969 62.300 -0.769 0.000 0.982 55 V CB 1.684 32.969 31.823 -0.897 0.000 1.039 55 V HN 0.754 nan 8.190 nan 0.000 0.437 56 P HA 0.275 nan 4.420 nan 0.000 0.263 56 P C 1.058 178.259 177.300 -0.166 0.000 1.345 56 P CA 1.619 64.480 63.100 -0.399 0.000 1.119 56 P CB 0.288 31.669 31.700 -0.531 0.000 1.363 57 G N 2.542 111.373 108.800 0.052 0.000 2.609 57 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.235 57 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.235 57 G C 0.467 175.548 174.900 0.302 0.000 1.177 57 G CA -0.011 45.254 45.100 0.275 0.000 0.707 57 G HN 0.912 nan 8.290 nan 0.000 0.513 58 G N -1.612 107.285 108.800 0.162 0.000 2.340 58 G HA2 0.658 4.617 3.960 -0.000 0.000 0.299 58 G HA3 0.658 4.617 3.960 -0.000 0.000 0.299 58 G C -2.152 172.676 174.900 -0.119 0.000 1.291 58 G CA 0.527 45.713 45.100 0.144 0.000 0.841 58 G HN 0.363 nan 8.290 nan 0.000 0.500 59 P HA -0.051 nan 4.420 nan 0.000 0.228 59 P C 1.752 179.037 177.300 -0.026 0.000 1.151 59 P CA 1.322 64.398 63.100 -0.041 0.000 0.770 59 P CB -0.120 31.597 31.700 0.028 0.000 0.786 60 W N -1.243 120.081 121.300 0.040 0.000 2.364 60 W HA -0.142 4.517 4.660 -0.001 0.000 0.281 60 W C 1.757 178.298 176.519 0.037 0.000 1.219 60 W CA 0.076 57.437 57.345 0.026 0.000 1.220 60 W CB -1.935 27.527 29.460 0.004 0.000 1.127 60 W HN -0.006 nan 8.180 nan 0.000 0.556 61 W N 1.831 122.404 121.300 -1.211 0.000 2.409 61 W HA 0.091 4.751 4.660 -0.000 0.000 0.299 61 W C 2.170 178.448 176.519 -0.401 0.000 1.203 61 W CA 3.211 59.844 57.345 -1.187 0.000 1.298 61 W CB -0.286 28.247 29.460 -1.545 0.000 1.127 61 W HN -0.040 nan 8.180 nan 0.000 0.528 62 G N -2.527 106.371 108.800 0.163 0.000 4.541 62 G HA2 0.345 4.304 3.960 -0.000 0.000 0.246 62 G HA3 0.345 4.304 3.960 -0.000 0.000 0.246 62 G C 0.674 175.757 174.900 0.306 0.000 1.034 62 G CA -0.172 45.185 45.100 0.429 0.000 0.818 62 G HN 0.746 nan 8.290 nan 0.000 0.359 63 G N -0.028 108.846 108.800 0.123 0.000 2.213 63 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.236 63 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.236 63 G C 0.044 174.984 174.900 0.066 0.000 0.991 63 G CA 0.331 45.482 45.100 0.085 0.000 0.629 63 G HN 0.552 nan 8.290 nan 0.000 0.517 64 E N 0.607 120.840 120.200 0.053 0.000 2.202 64 E HA 0.637 4.987 4.350 -0.000 0.000 0.272 64 E C 0.066 176.607 176.600 -0.099 0.000 0.951 64 E CA 0.039 56.440 56.400 0.001 0.000 0.813 64 E CB 1.831 31.561 29.700 0.051 0.000 1.151 64 E HN 0.529 nan 8.360 nan 0.000 0.398 65 S N -0.651 115.011 115.700 -0.062 0.000 2.651 65 S HA 0.235 4.705 4.470 -0.000 0.000 0.279 65 S C 0.978 175.550 174.600 -0.047 0.000 1.148 65 S CA -0.501 57.658 58.200 -0.068 0.000 0.837 65 S CB 0.938 64.118 63.200 -0.034 0.000 1.138 65 S HN 0.347 nan 8.310 nan 0.000 0.478 66 V N -0.868 119.022 119.914 -0.039 0.000 2.392 66 V HA -0.139 3.981 4.120 -0.000 0.000 0.249 66 V C 1.995 178.080 176.094 -0.016 0.000 1.059 66 V CA 2.217 64.505 62.300 -0.020 0.000 1.051 66 V CB -1.651 30.168 31.823 -0.007 0.000 0.658 66 V HN 0.840 nan 8.190 nan 0.000 0.455 67 E N 0.878 121.060 120.200 -0.029 0.000 2.047 67 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 67 E C 1.477 178.081 176.600 0.007 0.000 0.987 67 E CA 1.257 57.648 56.400 -0.015 0.000 0.799 67 E CB -0.781 28.904 29.700 -0.024 0.000 0.752 67 E HN 0.702 nan 8.360 nan 0.000 0.449 71 A N 2.103 124.967 122.820 0.072 0.000 1.892 71 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 71 A C 1.964 179.663 177.584 0.191 0.000 1.188 71 A CA 1.789 53.891 52.037 0.108 0.000 0.631 71 A CB -0.737 18.325 19.000 0.103 0.000 0.822 71 A HN 0.304 nan 8.150 nan 0.000 0.447 72 L N -0.812 120.516 121.223 0.175 0.000 2.056 72 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 72 L C 2.541 179.542 176.870 0.218 0.000 1.078 72 L CA 0.948 55.930 54.840 0.237 0.000 0.749 72 L CB -0.703 41.405 42.059 0.082 0.000 0.901 72 L HN 0.241 nan 8.230 nan 0.000 0.433 73 V N 0.097 120.089 119.914 0.129 0.000 2.261 73 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 73 V C 2.158 178.302 176.094 0.083 0.000 1.047 73 V CA 2.036 64.395 62.300 0.097 0.000 1.015 73 V CB -0.478 31.388 31.823 0.071 0.000 0.642 73 V HN 0.431 nan 8.190 nan 0.000 0.446 74 D N 0.551 120.991 120.400 0.068 0.000 2.117 74 D HA -0.078 4.562 4.640 -0.000 0.000 0.198 74 D C 2.076 178.368 176.300 -0.014 0.000 0.982 74 D CA 1.676 55.694 54.000 0.030 0.000 0.828 74 D CB -0.476 40.337 40.800 0.022 0.000 0.967 74 D HN 0.499 nan 8.370 nan 0.000 0.464 75 G N -2.013 106.774 108.800 -0.023 0.000 2.880 75 G HA2 -0.017 3.942 3.960 -0.000 0.000 0.209 75 G HA3 -0.017 3.942 3.960 -0.000 0.000 0.209 75 G C 0.631 175.204 174.900 -0.545 0.000 1.157 75 G CA 0.215 45.151 45.100 -0.274 0.000 0.779 75 G HN 0.266 nan 8.290 nan 0.000 0.539 76 Y N -1.574 118.732 120.300 0.010 0.000 2.713 76 Y HA 0.316 4.866 4.550 -0.000 0.000 0.265 76 Y C 2.228 178.132 175.900 0.008 0.000 1.177 76 Y CA -0.457 57.648 58.100 0.009 0.000 1.144 76 Y CB 0.128 38.594 38.460 0.011 0.000 1.360 76 Y HN -0.022 nan 8.280 nan 0.000 0.491 77 L N -0.129 121.202 121.223 0.180 0.000 2.049 77 L HA -0.002 4.338 4.340 -0.000 0.000 0.203 77 L C 2.650 179.554 176.870 0.056 0.000 1.074 77 L CA 1.216 56.116 54.840 0.100 0.000 0.749 77 L CB -0.808 41.303 42.059 0.085 0.000 0.907 77 L HN 0.238 nan 8.230 nan 0.000 0.439 78 A N 1.197 124.045 122.820 0.047 0.000 1.884 78 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 78 A C 0.073 177.662 177.584 0.008 0.000 1.197 78 A CA 2.251 54.302 52.037 0.022 0.000 0.637 78 A CB -2.124 16.889 19.000 0.021 0.000 0.827 78 A HN 0.325 nan 8.150 nan 0.000 0.450 79 P HA -0.116 nan 4.420 nan 0.000 0.220 79 P C 1.428 178.725 177.300 -0.004 0.000 1.144 79 P CA 1.514 64.608 63.100 -0.009 0.000 0.800 79 P CB -0.261 31.424 31.700 -0.026 0.000 0.772 80 V N -0.840 119.077 119.914 0.006 0.000 2.548 80 V HA -0.166 3.954 4.120 -0.000 0.000 0.249 80 V C 2.538 178.623 176.094 -0.015 0.000 1.055 80 V CA 1.299 63.600 62.300 0.001 0.000 1.065 80 V CB -1.035 30.796 31.823 0.012 0.000 0.681 80 V HN -0.007 nan 8.190 nan 0.000 0.462 81 L N -0.596 120.617 121.223 -0.017 0.000 2.109 81 L HA 0.095 4.434 4.340 -0.000 0.000 0.207 81 L C 1.116 177.964 176.870 -0.037 0.000 1.086 81 L CA 1.067 55.886 54.840 -0.035 0.000 0.760 81 L CB -0.577 41.462 42.059 -0.034 0.000 0.910 81 L HN 0.169 nan 8.230 nan 0.000 0.437 82 I N 0.594 121.149 120.570 -0.024 0.000 2.742 82 I HA 0.106 4.276 4.170 -0.000 0.000 0.287 82 I C 1.430 177.531 176.117 -0.027 0.000 1.186 82 I CA 0.944 62.231 61.300 -0.022 0.000 1.417 82 I CB -0.445 37.546 38.000 -0.014 0.000 1.377 82 I HN 0.474 nan 8.210 nan 0.000 0.556 83 G N 4.938 113.720 108.800 -0.030 0.000 2.176 83 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.232 83 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.232 83 G C 0.218 175.092 174.900 -0.042 0.000 0.986 83 G CA -0.499 44.582 45.100 -0.031 0.000 0.643 83 G HN 0.601 nan 8.290 nan 0.000 0.522 84 R N 0.161 120.627 120.500 -0.056 0.000 2.711 84 R HA 0.743 5.083 4.340 -0.000 0.000 0.284 84 R C 0.376 176.612 176.300 -0.106 0.000 0.968 84 R CA -0.190 55.864 56.100 -0.077 0.000 0.924 84 R CB 1.664 31.916 30.300 -0.082 0.000 1.162 84 R HN 0.497 nan 8.270 nan 0.000 0.465 85 A N 1.531 124.275 122.820 -0.127 0.000 2.440 85 A HA 0.072 4.391 4.320 -0.000 0.000 0.251 85 A C 1.140 178.549 177.584 -0.291 0.000 1.089 85 A CA -0.398 51.535 52.037 -0.173 0.000 0.779 85 A CB 0.809 19.717 19.000 -0.153 0.000 1.022 85 A HN 0.657 nan 8.150 nan 0.000 0.492 86 V N 2.880 122.577 119.914 -0.362 0.000 2.867 86 V HA -0.148 3.972 4.120 -0.000 0.000 0.260 86 V C 2.196 177.633 176.094 -1.094 0.000 1.099 86 V CA 2.606 64.579 62.300 -0.546 0.000 1.122 86 V CB -0.611 30.957 31.823 -0.425 0.000 0.708 86 V HN 1.129 nan 8.190 nan 0.000 0.490 87 S N -1.138 113.913 115.700 -1.081 0.000 2.603 87 S HA 0.027 4.496 4.470 -0.000 0.000 0.229 87 S C 1.182 175.341 174.600 -0.736 0.000 0.972 87 S CA 0.734 58.144 58.200 -1.316 0.000 0.935 87 S CB -0.302 62.670 63.200 -0.379 0.000 0.769 87 S HN 0.805 nan 8.310 nan 0.000 0.536 88 E N 0.602 120.478 120.200 -0.540 0.000 2.451 88 E HA 0.195 4.545 4.350 -0.000 0.000 0.194 88 E C 1.204 177.639 176.600 -0.276 0.000 1.027 88 E CA -0.361 55.861 56.400 -0.297 0.000 0.914 88 E CB 0.112 29.693 29.700 -0.198 0.000 1.054 88 E HN 0.238 nan 8.360 nan 0.000 0.461 89 L N 1.861 122.834 121.223 -0.417 0.000 2.026 89 L HA -0.341 3.998 4.340 -0.000 0.000 0.231 89 L C 2.185 178.987 176.870 -0.114 0.000 1.095 89 L CA 2.707 57.379 54.840 -0.280 0.000 0.810 89 L CB -1.277 40.586 42.059 -0.326 0.000 0.909 89 L HN 0.199 nan 8.230 nan 0.000 0.444 90 A N -0.952 121.836 122.820 -0.053 0.000 1.908 90 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 90 A C 2.351 179.928 177.584 -0.010 0.000 1.181 90 A CA 1.892 53.934 52.037 0.007 0.000 0.627 90 A CB -1.416 17.610 19.000 0.043 0.000 0.818 90 A HN 0.612 nan 8.150 nan 0.000 0.445 91 G N -0.524 108.255 108.800 -0.035 0.000 2.422 91 G HA2 0.073 4.032 3.960 -0.000 0.000 0.218 91 G HA3 0.073 4.032 3.960 -0.000 0.000 0.218 91 G C 0.912 175.792 174.900 -0.034 0.000 1.140 91 G CA 0.571 45.652 45.100 -0.031 0.000 0.775 91 G HN 0.479 nan 8.290 nan 0.000 0.545 95 D N 1.023 121.424 120.400 0.002 0.000 2.264 95 D HA -0.015 4.625 4.640 -0.000 0.000 0.208 95 D C 1.826 178.132 176.300 0.011 0.000 0.966 95 D CA 0.861 54.863 54.000 0.004 0.000 0.864 95 D CB -0.087 40.711 40.800 -0.003 0.000 0.933 95 D HN 0.530 nan 8.370 nan 0.000 0.499 96 L N 0.943 122.174 121.223 0.014 0.000 2.131 96 L HA -0.135 4.204 4.340 -0.000 0.000 0.210 96 L C 2.202 179.085 176.870 0.021 0.000 1.092 96 L CA 0.893 55.747 54.840 0.024 0.000 0.759 96 L CB -0.308 41.766 42.059 0.026 0.000 0.903 96 L HN -0.064 nan 8.230 nan 0.000 0.435 97 E N 0.476 120.684 120.200 0.015 0.000 2.265 97 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 97 E C 2.200 178.803 176.600 0.006 0.000 0.996 97 E CA 0.921 57.327 56.400 0.009 0.000 0.832 97 E CB -0.129 29.576 29.700 0.008 0.000 0.756 97 E HN 0.523 nan 8.360 nan 0.000 0.491 98 R N 0.288 120.794 120.500 0.011 0.000 2.148 98 R HA -0.052 4.288 4.340 -0.000 0.000 0.223 98 R C 2.328 178.639 176.300 0.017 0.000 1.088 98 R CA 1.254 57.361 56.100 0.011 0.000 0.985 98 R CB 0.003 30.310 30.300 0.013 0.000 0.880 98 R HN 0.150 nan 8.270 nan 0.000 0.451 99 V N -3.624 116.306 119.914 0.027 0.000 3.621 99 V HA 0.252 4.372 4.120 -0.000 0.000 0.263 99 V C 0.473 176.564 176.094 -0.006 0.000 1.272 99 V CA -0.127 62.200 62.300 0.045 0.000 1.080 99 V CB 0.943 32.830 31.823 0.107 0.000 0.816 99 V HN -0.149 nan 8.190 nan 0.000 0.451 100 V N 1.380 121.281 119.914 -0.022 0.000 2.577 100 V HA 0.825 4.944 4.120 -0.000 0.000 0.294 100 V C 0.161 176.232 176.094 -0.039 0.000 1.052 100 V CA -0.249 62.010 62.300 -0.068 0.000 0.891 100 V CB 1.096 32.878 31.823 -0.068 0.000 1.017 100 V HN 0.523 nan 8.190 nan 0.000 0.436 101 A N 5.046 127.838 122.820 -0.048 0.000 2.304 101 A HA 0.886 5.206 4.320 -0.000 0.000 0.271 101 A C 0.813 178.381 177.584 -0.027 0.000 1.091 101 A CA -0.040 51.978 52.037 -0.032 0.000 0.812 101 A CB 0.423 19.401 19.000 -0.037 0.000 1.056 101 A HN 0.978 nan 8.150 nan 0.000 0.489 102 R N -0.234 120.258 120.500 -0.014 0.000 3.794 102 R HA -0.242 4.097 4.340 -0.000 0.000 0.485 102 R C 0.929 177.257 176.300 0.047 0.000 0.241 102 R CA 1.181 57.282 56.100 0.001 0.000 1.522 102 R CB -1.753 28.522 30.300 -0.042 0.000 0.988 102 R HN 2.576 nan 8.270 nan 0.000 0.570 103 A N 0.352 123.225 122.820 0.087 0.000 2.822 103 A HA -0.262 4.058 4.320 -0.000 0.000 0.287 103 A C 1.296 178.978 177.584 0.163 0.000 1.479 103 A CA 1.722 53.841 52.037 0.136 0.000 0.779 103 A CB -0.922 18.115 19.000 0.061 0.000 1.022 103 A HN 0.494 nan 8.150 nan 0.000 0.532 104 R N -1.462 119.164 120.500 0.209 0.000 2.117 104 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 104 R C 1.536 177.834 176.300 -0.003 0.000 1.143 104 R CA 2.311 58.474 56.100 0.104 0.000 0.968 104 R CB -0.705 29.674 30.300 0.132 0.000 0.863 104 R HN 0.808 nan 8.270 nan 0.000 0.444 105 Y N 0.725 121.048 120.300 0.039 0.000 2.181 105 Y HA -0.198 4.352 4.550 -0.001 0.000 0.288 105 Y C 2.589 178.468 175.900 -0.036 0.000 1.146 105 Y CA 1.506 59.559 58.100 -0.078 0.000 1.164 105 Y CB -0.589 37.791 38.460 -0.133 0.000 0.982 105 Y HN 0.124 nan 8.280 nan 0.000 0.515 106 A N 0.217 123.137 122.820 0.166 0.000 1.877 106 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 106 A C 2.147 179.774 177.584 0.071 0.000 1.186 106 A CA 1.947 54.045 52.037 0.101 0.000 0.620 106 A CB -0.539 18.516 19.000 0.092 0.000 0.822 106 A HN 0.423 nan 8.150 nan 0.000 0.443 107 K N -0.279 120.158 120.400 0.061 0.000 2.147 107 K HA -0.016 4.304 4.320 -0.000 0.000 0.205 107 K C 2.233 178.851 176.600 0.030 0.000 1.049 107 K CA 0.939 57.253 56.287 0.044 0.000 0.936 107 K CB -0.320 32.204 32.500 0.041 0.000 0.722 107 K HN 0.446 nan 8.250 nan 0.000 0.446 108 A N 1.705 124.526 122.820 0.003 0.000 1.940 108 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 108 A C 2.380 179.972 177.584 0.014 0.000 1.176 108 A CA 1.909 53.933 52.037 -0.022 0.000 0.631 108 A CB -0.668 18.273 19.000 -0.099 0.000 0.814 108 A HN 0.341 nan 8.150 nan 0.000 0.446 109 A N -0.503 122.335 122.820 0.031 0.000 1.902 109 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 109 A C 2.221 179.838 177.584 0.055 0.000 1.181 109 A CA 1.878 53.944 52.037 0.049 0.000 0.623 109 A CB -0.947 18.086 19.000 0.055 0.000 0.818 109 A HN 0.454 nan 8.150 nan 0.000 0.443 110 V N 0.806 120.750 119.914 0.049 0.000 2.358 110 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 110 V C 2.435 178.567 176.094 0.062 0.000 1.047 110 V CA 2.211 64.537 62.300 0.043 0.000 1.035 110 V CB -0.762 31.083 31.823 0.036 0.000 0.658 110 V HN 0.719 nan 8.190 nan 0.000 0.452 111 D N 0.572 121.024 120.400 0.087 0.000 2.097 111 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 111 D C 2.091 178.555 176.300 0.274 0.000 0.989 111 D CA 1.727 55.829 54.000 0.169 0.000 0.827 111 D CB 0.096 40.985 40.800 0.147 0.000 0.966 111 D HN 0.302 nan 8.370 nan 0.000 0.456 112 V N 1.803 121.812 119.914 0.158 0.000 2.407 112 V HA -0.089 4.031 4.120 -0.000 0.000 0.248 112 V C 1.833 178.027 176.094 0.166 0.000 1.055 112 V CA 1.123 63.513 62.300 0.149 0.000 1.049 112 V CB -0.990 30.877 31.823 0.074 0.000 0.662 112 V HN 0.342 nan 8.190 nan 0.000 0.455 116 D N 1.726 122.266 120.400 0.233 0.000 2.084 116 D HA -0.038 4.602 4.640 -0.000 0.000 0.194 116 D C 2.172 178.546 176.300 0.123 0.000 0.990 116 D CA 1.931 56.023 54.000 0.154 0.000 0.826 116 D CB -0.015 40.865 40.800 0.134 0.000 0.971 116 D HN 0.350 nan 8.370 nan 0.000 0.453 117 A N -0.293 122.580 122.820 0.088 0.000 1.908 117 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 117 A C 2.198 179.882 177.584 0.167 0.000 1.181 117 A CA 1.605 53.679 52.037 0.063 0.000 0.627 117 A CB -1.397 17.595 19.000 -0.014 0.000 0.818 117 A HN 0.555 nan 8.150 nan 0.000 0.445 118 W N 0.584 121.866 121.300 -0.030 0.000 2.379 118 W HA -0.063 4.597 4.660 -0.001 0.000 0.307 118 W C 2.569 179.085 176.519 -0.005 0.000 1.200 118 W CA 1.438 58.764 57.345 -0.031 0.000 1.297 118 W CB -0.764 28.655 29.460 -0.068 0.000 1.140 118 W HN 0.372 nan 8.180 nan 0.000 0.507 119 A N 0.471 123.356 122.820 0.108 0.000 1.972 119 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 119 A C 2.096 179.679 177.584 -0.002 0.000 1.169 119 A CA 1.783 53.797 52.037 -0.038 0.000 0.635 119 A CB -0.674 18.331 19.000 0.007 0.000 0.810 119 A HN 0.372 nan 8.150 nan 0.000 0.446 120 R N -0.312 120.220 120.500 0.053 0.000 2.075 120 R HA -0.061 4.278 4.340 -0.000 0.000 0.232 120 R C 2.408 178.735 176.300 0.046 0.000 1.126 120 R CA 1.529 57.657 56.100 0.047 0.000 0.963 120 R CB -0.363 29.974 30.300 0.061 0.000 0.858 120 R HN 0.493 nan 8.270 nan 0.000 0.435 121 S N 0.997 116.744 115.700 0.078 0.000 2.419 121 S HA -0.040 4.430 4.470 -0.000 0.000 0.233 121 S C 1.652 176.284 174.600 0.053 0.000 1.016 121 S CA 0.919 59.170 58.200 0.086 0.000 0.974 121 S CB 0.000 63.293 63.200 0.155 0.000 0.786 121 S HN 0.247 nan 8.310 nan 0.000 0.492 122 L N 0.904 122.130 121.223 0.006 0.000 2.640 122 L HA 0.286 4.625 4.340 -0.000 0.000 0.230 122 L C 0.416 177.261 176.870 -0.042 0.000 1.123 122 L CA -0.169 54.645 54.840 -0.044 0.000 0.900 122 L CB -0.555 41.410 42.059 -0.156 0.000 1.146 122 L HN 0.234 nan 8.230 nan 0.000 0.484 123 N N 0.857 119.545 118.700 -0.021 0.000 2.708 123 N HA -0.169 4.571 4.740 -0.000 0.000 0.255 123 N C -0.740 174.751 175.510 -0.031 0.000 1.046 123 N CA 0.841 53.881 53.050 -0.016 0.000 0.715 123 N CB -0.717 37.765 38.487 -0.009 0.000 0.895 123 N HN 0.283 nan 8.380 nan 0.000 0.545 124 V N -3.498 116.390 119.914 -0.043 0.000 3.181 124 V HA 0.900 5.020 4.120 -0.000 0.000 0.308 124 V C -2.626 173.447 176.094 -0.036 0.000 1.214 124 V CA -2.060 60.210 62.300 -0.050 0.000 1.053 124 V CB 2.202 33.975 31.823 -0.084 0.000 1.069 124 V HN -0.040 nan 8.190 nan 0.000 0.441 125 P HA 0.373 nan 4.420 nan 0.000 0.274 125 P C 0.840 178.132 177.300 -0.013 0.000 1.246 125 P CA -0.146 62.944 63.100 -0.015 0.000 0.795 125 P CB 1.108 32.797 31.700 -0.019 0.000 1.006 126 V N 1.961 121.884 119.914 0.015 0.000 2.515 126 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 126 V C 2.378 178.478 176.094 0.010 0.000 1.058 126 V CA 1.947 64.269 62.300 0.037 0.000 1.064 126 V CB -1.166 30.697 31.823 0.067 0.000 0.675 126 V HN 0.624 nan 8.190 nan 0.000 0.461 127 R N 0.232 120.725 120.500 -0.011 0.000 2.159 127 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 127 R C 1.448 177.719 176.300 -0.048 0.000 1.131 127 R CA 2.025 58.104 56.100 -0.037 0.000 0.982 127 R CB -0.722 29.550 30.300 -0.046 0.000 0.868 127 R HN 0.360 nan 8.270 nan 0.000 0.453 128 D N 0.719 121.088 120.400 -0.052 0.000 2.378 128 D HA 0.009 4.649 4.640 -0.000 0.000 0.222 128 D C 1.304 177.548 176.300 -0.093 0.000 0.980 128 D CA 0.735 54.691 54.000 -0.072 0.000 0.907 128 D CB 0.165 40.917 40.800 -0.080 0.000 0.899 128 D HN 0.290 nan 8.370 nan 0.000 0.527 129 L N -0.476 120.704 121.223 -0.071 0.000 2.640 129 L HA 0.220 4.560 4.340 -0.000 0.000 0.230 129 L C 0.747 177.624 176.870 0.012 0.000 1.123 129 L CA 0.193 54.989 54.840 -0.074 0.000 0.900 129 L CB 0.472 42.513 42.059 -0.031 0.000 1.146 129 L HN -0.036 nan 8.230 nan 0.000 0.484 130 L N -0.965 120.251 121.223 -0.012 0.000 3.289 130 L HA 0.449 4.789 4.340 -0.000 0.000 0.291 130 L C 1.057 177.891 176.870 -0.061 0.000 1.279 130 L CA 0.150 54.978 54.840 -0.020 0.000 1.025 130 L CB 0.665 42.697 42.059 -0.044 0.000 1.413 130 L HN 0.203 nan 8.230 nan 0.000 0.593 131 G N -0.797 107.971 108.800 -0.053 0.000 2.195 131 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.224 131 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.224 131 G C 0.610 175.471 174.900 -0.064 0.000 0.990 131 G CA -0.267 44.797 45.100 -0.060 0.000 0.639 131 G HN 0.950 nan 8.290 nan 0.000 0.514 132 G N -1.654 107.105 108.800 -0.068 0.000 2.451 132 G HA2 0.461 4.421 3.960 -0.000 0.000 0.208 132 G HA3 0.461 4.421 3.960 -0.000 0.000 0.208 132 G C 0.174 175.033 174.900 -0.068 0.000 1.248 132 G CA 0.915 45.978 45.100 -0.062 0.000 0.989 132 G HN 2.438 nan 8.290 nan 0.000 0.559 133 T N -2.449 112.070 114.554 -0.058 0.000 2.841 133 T HA 0.705 5.054 4.350 -0.000 0.000 0.283 133 T C 0.655 175.322 174.700 -0.055 0.000 1.000 133 T CA 0.393 62.458 62.100 -0.059 0.000 0.977 133 T CB 1.951 70.792 68.868 -0.046 0.000 0.979 133 T HN 1.337 nan 8.240 nan 0.000 0.446 134 V N 2.352 122.230 119.914 -0.061 0.000 3.455 134 V HA 0.346 4.466 4.120 -0.000 0.000 0.250 134 V C 0.887 176.957 176.094 -0.040 0.000 1.230 134 V CA 0.531 62.800 62.300 -0.052 0.000 1.105 134 V CB -0.384 31.402 31.823 -0.063 0.000 0.850 134 V HN 0.999 nan 8.190 nan 0.000 0.461 135 R N 0.395 120.869 120.500 -0.043 0.000 2.734 135 R HA 0.519 4.859 4.340 -0.000 0.000 0.271 135 R C -1.121 175.160 176.300 -0.032 0.000 1.021 135 R CA -0.127 55.953 56.100 -0.032 0.000 0.893 135 R CB 1.182 31.464 30.300 -0.029 0.000 1.244 135 R HN 0.137 nan 8.270 nan 0.000 0.464 136 D N -0.524 119.860 120.400 -0.025 0.000 2.500 136 D HA 0.149 4.789 4.640 -0.000 0.000 0.217 136 D C -0.559 175.727 176.300 -0.023 0.000 1.159 136 D CA -0.298 53.687 54.000 -0.024 0.000 0.828 136 D CB 0.412 41.199 40.800 -0.021 0.000 1.039 136 D HN 0.606 nan 8.370 nan 0.000 0.512 137 K N -0.276 120.111 120.400 -0.022 0.000 2.551 137 K HA 0.651 4.971 4.320 -0.000 0.000 0.269 137 K C -1.318 175.269 176.600 -0.021 0.000 0.949 137 K CA -1.156 55.117 56.287 -0.023 0.000 0.849 137 K CB 2.586 35.077 32.500 -0.016 0.000 1.411 137 K HN 0.005 nan 8.250 nan 0.000 0.432 138 V N -1.887 118.013 119.914 -0.023 0.000 2.888 138 V HA 0.471 4.590 4.120 -0.000 0.000 0.309 138 V C -1.010 175.080 176.094 -0.007 0.000 1.114 138 V CA -0.996 61.293 62.300 -0.018 0.000 0.940 138 V CB 1.806 33.610 31.823 -0.031 0.000 1.021 138 V HN 0.854 nan 8.190 nan 0.000 0.426 139 D N 1.802 122.200 120.400 -0.005 0.000 2.378 139 D HA 0.453 5.092 4.640 -0.000 0.000 0.238 139 D C -0.354 175.953 176.300 0.010 0.000 1.180 139 D CA 0.325 54.326 54.000 0.002 0.000 0.895 139 D CB 1.906 42.697 40.800 -0.016 0.000 1.192 139 D HN 0.568 nan 8.370 nan 0.000 0.438 140 V N 1.048 120.984 119.914 0.037 0.000 2.577 140 V HA 0.267 4.387 4.120 -0.000 0.000 0.303 140 V C 0.245 176.372 176.094 0.056 0.000 1.042 140 V CA -0.890 61.458 62.300 0.080 0.000 0.872 140 V CB 1.888 33.816 31.823 0.176 0.000 0.998 140 V HN 0.683 nan 8.190 nan 0.000 0.423 141 T N 1.380 115.990 114.554 0.094 0.000 2.845 141 T HA 0.419 4.769 4.350 -0.000 0.000 0.288 141 T C -0.518 174.267 174.700 0.141 0.000 0.980 141 T CA -0.486 61.633 62.100 0.033 0.000 1.071 141 T CB 1.522 70.435 68.868 0.075 0.000 0.941 141 T HN 0.743 nan 8.240 nan 0.000 0.487 142 W N 3.374 124.498 121.300 -0.293 0.000 2.361 142 W HA 0.596 5.256 4.660 -0.000 0.000 0.309 142 W C -0.868 175.521 176.519 -0.216 0.000 1.122 142 W CA -1.217 55.898 57.345 -0.384 0.000 1.208 142 W CB 1.195 30.415 29.460 -0.400 0.000 1.246 142 W HN 0.990 nan 8.180 nan 0.000 0.490 143 A N 6.214 128.377 122.820 -1.095 0.000 2.305 143 A HA 0.686 5.006 4.320 -0.000 0.000 0.322 143 A C -1.546 175.578 177.584 -0.767 0.000 1.187 143 A CA -0.662 51.044 52.037 -0.552 0.000 0.825 143 A CB 1.184 20.161 19.000 -0.039 0.000 1.164 143 A HN 0.590 nan 8.150 nan 0.000 0.498 144 L N 2.237 123.293 121.223 -0.278 0.000 2.322 144 L HA 0.570 4.910 4.340 -0.000 0.000 0.281 144 L C 1.145 177.855 176.870 -0.266 0.000 1.014 144 L CA 0.224 54.954 54.840 -0.184 0.000 0.815 144 L CB 1.546 43.602 42.059 -0.006 0.000 1.247 144 L HN 0.876 nan 8.230 nan 0.000 0.421 145 G N 1.430 109.938 108.800 -0.486 0.000 2.631 145 G HA2 0.287 4.246 3.960 -0.000 0.000 0.271 145 G HA3 0.287 4.246 3.960 -0.000 0.000 0.271 145 G C -0.300 174.374 174.900 -0.376 0.000 1.302 145 G CA -0.509 44.139 45.100 -0.753 0.000 1.002 145 G HN 0.484 nan 8.290 nan 0.000 0.519 146 V N -0.055 119.655 119.914 -0.341 0.000 2.599 146 V HA 0.494 4.614 4.120 -0.000 0.000 0.300 146 V C -0.165 175.835 176.094 -0.156 0.000 1.034 146 V CA 0.445 62.627 62.300 -0.196 0.000 1.115 146 V CB -0.349 31.375 31.823 -0.165 0.000 0.934 146 V HN 0.463 nan 8.190 nan 0.000 0.485 147 L N 6.126 127.288 121.223 -0.102 0.000 2.556 147 L HA 0.507 4.847 4.340 -0.000 0.000 0.257 147 L C -2.551 174.290 176.870 -0.048 0.000 0.955 147 L CA -1.830 52.967 54.840 -0.071 0.000 0.850 147 L CB 2.497 44.520 42.059 -0.060 0.000 1.398 147 L HN 0.420 nan 8.230 nan 0.000 0.412 148 P HA 0.032 nan 4.420 nan 0.000 0.268 148 P C 0.564 177.849 177.300 -0.024 0.000 1.208 148 P CA -0.380 62.704 63.100 -0.027 0.000 0.777 148 P CB 0.649 32.336 31.700 -0.023 0.000 0.875 149 L N 2.746 123.959 121.223 -0.018 0.000 2.010 149 L HA -0.297 4.043 4.340 -0.000 0.000 0.219 149 L C 1.260 178.117 176.870 -0.022 0.000 1.077 149 L CA 2.275 57.104 54.840 -0.017 0.000 0.773 149 L CB -1.189 40.864 42.059 -0.010 0.000 0.892 149 L HN 0.337 nan 8.230 nan 0.000 0.436 150 D N -1.097 119.291 120.400 -0.020 0.000 2.097 150 D HA -0.178 4.461 4.640 -0.000 0.000 0.195 150 D C 2.228 178.513 176.300 -0.025 0.000 0.989 150 D CA 1.723 55.709 54.000 -0.022 0.000 0.827 150 D CB -0.344 40.446 40.800 -0.017 0.000 0.966 150 D HN 0.261 nan 8.370 nan 0.000 0.456 151 V N 0.928 120.829 119.914 -0.022 0.000 2.407 151 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 151 V C 2.310 178.391 176.094 -0.020 0.000 1.055 151 V CA 1.783 64.072 62.300 -0.019 0.000 1.049 151 V CB -0.833 30.980 31.823 -0.017 0.000 0.662 151 V HN 0.252 nan 8.190 nan 0.000 0.455 152 A N 0.025 122.829 122.820 -0.027 0.000 1.841 152 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 152 A C 2.381 179.930 177.584 -0.058 0.000 1.195 152 A CA 1.902 53.921 52.037 -0.031 0.000 0.611 152 A CB -0.809 18.171 19.000 -0.033 0.000 0.835 152 A HN 0.298 nan 8.150 nan 0.000 0.443 153 V N 0.268 120.144 119.914 -0.063 0.000 2.324 153 V HA -0.322 3.798 4.120 -0.000 0.000 0.250 153 V C 3.035 179.073 176.094 -0.093 0.000 1.060 153 V CA 2.149 64.397 62.300 -0.086 0.000 1.042 153 V CB -1.424 30.363 31.823 -0.060 0.000 0.650 153 V HN 0.632 nan 8.190 nan 0.000 0.450 154 A N -0.576 122.206 122.820 -0.063 0.000 1.877 154 A HA -0.287 4.033 4.320 -0.000 0.000 0.216 154 A C 2.301 179.846 177.584 -0.065 0.000 1.186 154 A CA 2.071 54.074 52.037 -0.056 0.000 0.620 154 A CB -0.545 18.433 19.000 -0.036 0.000 0.822 154 A HN 0.615 nan 8.150 nan 0.000 0.443 155 E N -0.265 119.905 120.200 -0.049 0.000 2.038 155 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 155 E C 1.918 178.460 176.600 -0.097 0.000 1.000 155 E CA 1.391 57.773 56.400 -0.030 0.000 0.803 155 E CB -0.250 29.486 29.700 0.060 0.000 0.750 155 E HN 0.660 nan 8.360 nan 0.000 0.448 156 I N 1.339 121.788 120.570 -0.201 0.000 2.118 156 I HA -0.305 3.864 4.170 -0.000 0.000 0.241 156 I C 2.445 178.351 176.117 -0.351 0.000 1.070 156 I CA 1.217 62.192 61.300 -0.543 0.000 1.327 156 I CB -0.379 37.166 38.000 -0.758 0.000 1.034 156 I HN 0.152 nan 8.210 nan 0.000 0.405 157 E N 0.546 120.617 120.200 -0.214 0.000 2.085 157 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 157 E C 2.006 178.558 176.600 -0.079 0.000 0.994 157 E CA 1.491 57.818 56.400 -0.122 0.000 0.801 157 E CB -0.359 29.286 29.700 -0.091 0.000 0.743 157 E HN 0.587 nan 8.360 nan 0.000 0.453 158 E N 0.475 120.625 120.200 -0.083 0.000 2.047 158 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 158 E C 2.153 178.710 176.600 -0.072 0.000 0.987 158 E CA 0.629 56.984 56.400 -0.075 0.000 0.799 158 E CB 0.195 29.850 29.700 -0.075 0.000 0.752 158 E HN -0.014 nan 8.360 nan 0.000 0.449 159 R N 0.451 120.911 120.500 -0.067 0.000 2.081 159 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 159 R C 2.431 178.784 176.300 0.088 0.000 1.131 159 R CA 1.040 57.118 56.100 -0.036 0.000 0.960 159 R CB -0.757 29.493 30.300 -0.083 0.000 0.856 159 R HN 0.390 nan 8.270 nan 0.000 0.436 160 I N 0.757 121.421 120.570 0.157 0.000 2.208 160 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 160 I C 2.483 178.630 176.117 0.050 0.000 1.097 160 I CA 1.301 62.698 61.300 0.161 0.000 1.363 160 I CB -0.279 37.804 38.000 0.138 0.000 1.051 160 I HN 0.110 nan 8.210 nan 0.000 0.413 161 E N 0.600 120.795 120.200 -0.008 0.000 2.112 161 E HA -0.205 4.145 4.350 -0.000 0.000 0.190 161 E C 1.990 178.522 176.600 -0.113 0.000 0.979 161 E CA 1.090 57.460 56.400 -0.050 0.000 0.814 161 E CB 0.107 29.772 29.700 -0.059 0.000 0.762 161 E HN 0.527 nan 8.360 nan 0.000 0.460 162 E N -1.512 118.581 120.200 -0.179 0.000 2.122 162 E HA -0.062 4.288 4.350 -0.000 0.000 0.190 162 E C 1.031 177.263 176.600 -0.613 0.000 0.977 162 E CA 0.561 56.712 56.400 -0.414 0.000 0.820 162 E CB 0.160 29.549 29.700 -0.519 0.000 0.770 162 E HN 0.109 nan 8.360 nan 0.000 0.462 163 F N -1.039 118.859 119.950 -0.087 0.000 2.784 163 F HA 0.363 4.889 4.527 -0.000 0.000 0.323 163 F C 1.159 176.941 175.800 -0.030 0.000 1.085 163 F CA 0.421 58.381 58.000 -0.067 0.000 1.196 163 F CB 1.479 40.388 39.000 -0.151 0.000 1.053 163 F HN 0.124 nan 8.300 nan 0.000 0.578 164 G N 1.634 110.503 108.800 0.116 0.000 2.221 164 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.265 164 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.265 164 G C -0.293 174.650 174.900 0.072 0.000 1.041 164 G CA -0.068 45.085 45.100 0.090 0.000 0.807 164 G HN 0.388 nan 8.290 nan 0.000 0.502 165 N N -0.365 118.356 118.700 0.035 0.000 2.483 165 N HA 0.397 5.137 4.740 -0.000 0.000 0.264 165 N C 1.514 176.934 175.510 -0.151 0.000 1.197 165 N CA -0.002 52.959 53.050 -0.148 0.000 0.927 165 N CB 0.430 38.663 38.487 -0.424 0.000 1.065 165 N HN 0.441 nan 8.380 nan 0.000 0.461 166 R N 0.283 120.712 120.500 -0.119 0.000 2.300 166 R HA 0.101 4.441 4.340 -0.000 0.000 0.199 166 R C -0.128 176.149 176.300 -0.039 0.000 0.920 166 R CA 0.169 56.259 56.100 -0.017 0.000 1.046 166 R CB 0.026 30.329 30.300 0.006 0.000 0.984 166 R HN 0.594 nan 8.270 nan 0.000 0.493 167 S N -0.174 115.378 115.700 -0.248 0.000 2.549 167 S HA 0.646 5.116 4.470 -0.000 0.000 0.280 167 S C -0.871 173.467 174.600 -0.437 0.000 1.109 167 S CA -0.897 57.209 58.200 -0.158 0.000 0.905 167 S CB 1.502 64.639 63.200 -0.105 0.000 1.081 167 S HN 0.027 nan 8.310 nan 0.000 0.477 168 F N 0.865 120.865 119.950 0.083 0.000 2.565 168 F HA 0.631 5.158 4.527 -0.001 0.000 0.313 168 F C 0.046 175.885 175.800 0.066 0.000 1.091 168 F CA -0.702 57.359 58.000 0.101 0.000 0.915 168 F CB 2.367 41.434 39.000 0.112 0.000 1.208 168 F HN 0.697 nan 8.300 nan 0.000 0.453 169 K N 3.986 124.509 120.400 0.204 0.000 2.274 169 K HA 0.685 5.004 4.320 -0.000 0.000 0.262 169 K C -1.804 174.853 176.600 0.095 0.000 0.961 169 K CA -0.477 55.888 56.287 0.130 0.000 0.833 169 K CB 1.058 33.626 32.500 0.112 0.000 1.102 169 K HN 0.722 nan 8.250 nan 0.000 0.436 170 L N 4.779 126.049 121.223 0.079 0.000 2.287 170 L HA 0.425 4.765 4.340 -0.000 0.000 0.287 170 L C 0.149 177.018 176.870 -0.002 0.000 1.022 170 L CA -0.844 54.013 54.840 0.028 0.000 0.814 170 L CB 1.485 43.564 42.059 0.033 0.000 1.217 170 L HN 0.591 nan 8.230 nan 0.000 0.420 174 A N 0.882 123.708 122.820 0.010 0.000 2.320 174 A HA 0.763 5.083 4.320 -0.000 0.000 0.287 174 A C 1.264 178.862 177.584 0.024 0.000 1.181 174 A CA 0.879 52.916 52.037 0.001 0.000 0.831 174 A CB 0.018 18.995 19.000 -0.040 0.000 1.102 174 A HN 2.104 nan 8.150 nan 0.000 0.513 175 G N 2.100 110.911 108.800 0.018 0.000 2.692 175 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.248 175 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.248 175 G C -0.120 174.784 174.900 0.007 0.000 1.340 175 G CA 0.234 45.337 45.100 0.006 0.000 0.896 175 G HN 1.325 nan 8.290 nan 0.000 0.570 176 D N 0.815 121.197 120.400 -0.030 0.000 2.662 176 D HA 0.269 4.909 4.640 -0.000 0.000 0.233 176 D C -0.463 175.766 176.300 -0.120 0.000 1.129 176 D CA -0.035 53.915 54.000 -0.082 0.000 0.851 176 D CB 0.794 41.547 40.800 -0.078 0.000 1.152 176 D HN 0.113 nan 8.370 nan 0.000 0.507 177 P HA -0.160 nan 4.420 nan 0.000 0.215 177 P C 0.900 177.789 177.300 -0.685 0.000 1.157 177 P CA 1.628 64.412 63.100 -0.527 0.000 0.868 177 P CB 0.073 31.102 31.700 -1.118 0.000 0.788 178 A N 0.084 122.446 122.820 -0.763 0.000 1.883 178 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 178 A C 2.135 179.639 177.584 -0.134 0.000 1.186 178 A CA 1.857 53.632 52.037 -0.436 0.000 0.624 178 A CB -1.297 17.653 19.000 -0.083 0.000 0.822 178 A HN 0.195 nan 8.150 nan 0.000 0.444 179 E N -0.654 119.487 120.200 -0.098 0.000 2.051 179 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 179 E C 1.735 178.333 176.600 -0.004 0.000 0.991 179 E CA 1.050 57.432 56.400 -0.030 0.000 0.799 179 E CB -0.245 29.438 29.700 -0.028 0.000 0.748 179 E HN 0.561 nan 8.360 nan 0.000 0.449 180 D N 0.206 120.608 120.400 0.004 0.000 2.133 180 D HA -0.134 4.505 4.640 -0.000 0.000 0.195 180 D C 1.895 178.252 176.300 0.094 0.000 0.997 180 D CA 1.450 55.490 54.000 0.066 0.000 0.840 180 D CB -0.130 40.772 40.800 0.170 0.000 0.947 180 D HN 0.044 nan 8.370 nan 0.000 0.452 181 T N -0.134 114.489 114.554 0.114 0.000 2.737 181 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 181 T C 2.081 176.854 174.700 0.120 0.000 1.038 181 T CA 1.121 63.323 62.100 0.171 0.000 1.144 181 T CB -0.083 68.928 68.868 0.238 0.000 0.866 181 T HN 0.083 nan 8.240 nan 0.000 0.434 182 R N 0.712 121.265 120.500 0.087 0.000 2.083 182 R HA 0.005 4.345 4.340 -0.000 0.000 0.237 182 R C 2.594 178.926 176.300 0.053 0.000 1.137 182 R CA 1.359 57.502 56.100 0.071 0.000 0.951 182 R CB -0.286 30.046 30.300 0.054 0.000 0.851 182 R HN 0.290 nan 8.270 nan 0.000 0.434 183 R N 0.298 120.822 120.500 0.040 0.000 2.115 183 R HA -0.183 4.156 4.340 -0.000 0.000 0.239 183 R C 1.888 178.206 176.300 0.030 0.000 1.133 183 R CA 2.196 58.311 56.100 0.025 0.000 0.935 183 R CB -0.418 29.890 30.300 0.014 0.000 0.853 183 R HN 0.113 nan 8.270 nan 0.000 0.433 184 V N 0.960 120.900 119.914 0.043 0.000 2.427 184 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 184 V C 2.527 178.658 176.094 0.062 0.000 1.051 184 V CA 1.741 64.070 62.300 0.048 0.000 1.048 184 V CB -0.771 31.087 31.823 0.058 0.000 0.666 184 V HN 0.587 nan 8.190 nan 0.000 0.456 185 A N -0.171 122.695 122.820 0.077 0.000 1.908 185 A HA -0.265 4.054 4.320 -0.000 0.000 0.218 185 A C 2.204 179.822 177.584 0.056 0.000 1.181 185 A CA 2.053 54.138 52.037 0.080 0.000 0.627 185 A CB -0.450 18.605 19.000 0.091 0.000 0.818 185 A HN 0.629 nan 8.150 nan 0.000 0.445 186 E N -0.632 119.594 120.200 0.044 0.000 2.072 186 E HA -0.122 4.227 4.350 -0.000 0.000 0.191 186 E C 2.043 178.655 176.600 0.019 0.000 0.985 186 E CA 0.969 57.386 56.400 0.029 0.000 0.801 186 E CB -0.274 29.440 29.700 0.022 0.000 0.750 186 E HN 0.653 nan 8.360 nan 0.000 0.452 187 L N 0.783 122.016 121.223 0.016 0.000 2.127 187 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 187 L C 2.355 179.229 176.870 0.006 0.000 1.089 187 L CA 1.243 56.084 54.840 0.001 0.000 0.757 187 L CB -0.194 41.863 42.059 -0.004 0.000 0.899 187 L HN 0.071 nan 8.230 nan 0.000 0.434 188 A N 0.156 122.993 122.820 0.028 0.000 1.902 188 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 188 A C 2.263 179.864 177.584 0.029 0.000 1.181 188 A CA 1.587 53.647 52.037 0.037 0.000 0.623 188 A CB -0.527 18.508 19.000 0.059 0.000 0.818 188 A HN 0.483 nan 8.150 nan 0.000 0.443 189 R N -0.405 120.111 120.500 0.027 0.000 2.241 189 R HA -0.075 4.264 4.340 -0.000 0.000 0.224 189 R C 1.587 177.894 176.300 0.011 0.000 1.101 189 R CA 1.326 57.439 56.100 0.022 0.000 0.995 189 R CB -0.115 30.198 30.300 0.022 0.000 0.870 189 R HN 0.669 nan 8.270 nan 0.000 0.463 190 E N -0.656 119.546 120.200 0.003 0.000 2.307 190 E HA -0.001 4.349 4.350 -0.000 0.000 0.195 190 E C 1.278 177.868 176.600 -0.017 0.000 0.975 190 E CA 0.525 56.920 56.400 -0.009 0.000 0.878 190 E CB 0.774 30.464 29.700 -0.017 0.000 0.845 190 E HN 0.079 nan 8.360 nan 0.000 0.488 191 V N -0.611 119.292 119.914 -0.018 0.000 3.371 191 V HA 0.097 4.216 4.120 -0.000 0.000 0.246 191 V C 2.097 178.197 176.094 0.010 0.000 1.303 191 V CA 0.838 63.122 62.300 -0.027 0.000 1.156 191 V CB 0.415 32.188 31.823 -0.083 0.000 0.929 191 V HN 0.281 nan 8.190 nan 0.000 0.459 192 G N 0.751 109.565 108.800 0.024 0.000 2.606 192 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.223 192 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.223 192 G C 1.113 176.041 174.900 0.047 0.000 1.106 192 G CA 1.644 46.771 45.100 0.045 0.000 0.745 192 G HN 0.502 nan 8.290 nan 0.000 0.597 193 D N 0.243 120.664 120.400 0.035 0.000 2.084 193 D HA -0.053 4.587 4.640 -0.000 0.000 0.196 193 D C 2.723 179.048 176.300 0.042 0.000 0.985 193 D CA 0.738 54.759 54.000 0.034 0.000 0.826 193 D CB -0.197 40.618 40.800 0.024 0.000 0.978 193 D HN 0.306 nan 8.370 nan 0.000 0.456 194 R N 0.383 120.910 120.500 0.045 0.000 2.092 194 R HA -0.015 4.324 4.340 -0.000 0.000 0.231 194 R C 1.080 177.434 176.300 0.090 0.000 1.119 194 R CA 0.625 56.760 56.100 0.058 0.000 0.970 194 R CB 0.156 30.487 30.300 0.051 0.000 0.864 194 R HN 0.187 nan 8.270 nan 0.000 0.440 195 V N -3.618 116.367 119.914 0.118 0.000 3.126 195 V HA 0.447 4.566 4.120 -0.000 0.000 0.314 195 V C -0.322 175.861 176.094 0.148 0.000 1.138 195 V CA -1.173 61.230 62.300 0.171 0.000 1.034 195 V CB 1.945 33.977 31.823 0.349 0.000 1.075 195 V HN -0.078 nan 8.190 nan 0.000 0.442 196 S N 1.265 117.050 115.700 0.142 0.000 2.465 196 S HA 0.642 5.112 4.470 -0.000 0.000 0.279 196 S C -0.582 174.105 174.600 0.146 0.000 1.201 196 S CA -0.484 57.782 58.200 0.109 0.000 1.053 196 S CB -0.660 62.583 63.200 0.072 0.000 0.953 196 S HN 0.624 nan 8.310 nan 0.000 0.488 197 L N 5.156 126.454 121.223 0.125 0.000 2.317 197 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 197 L C -0.192 176.740 176.870 0.105 0.000 1.024 197 L CA -0.863 54.061 54.840 0.140 0.000 0.810 197 L CB 1.649 43.781 42.059 0.122 0.000 1.240 197 L HN 0.598 nan 8.230 nan 0.000 0.427 198 R N 2.376 122.946 120.500 0.117 0.000 2.837 198 R HA 0.755 5.095 4.340 -0.000 0.000 0.271 198 R C -1.114 175.259 176.300 0.122 0.000 0.993 198 R CA -0.658 55.505 56.100 0.103 0.000 0.931 198 R CB 1.964 32.315 30.300 0.085 0.000 1.206 198 R HN 0.529 nan 8.270 nan 0.000 0.474 199 I N -2.760 117.898 120.570 0.147 0.000 3.108 199 I HA 0.772 4.941 4.170 -0.000 0.000 0.312 199 I C -1.117 175.052 176.117 0.088 0.000 1.095 199 I CA -0.665 60.698 61.300 0.106 0.000 1.000 199 I CB 2.467 40.524 38.000 0.094 0.000 1.229 199 I HN 0.376 nan 8.210 nan 0.000 0.454 200 D N 2.145 122.561 120.400 0.026 0.000 2.738 200 D HA 0.404 5.044 4.640 -0.000 0.000 0.218 200 D C -0.448 175.825 176.300 -0.045 0.000 1.345 200 D CA -0.311 53.710 54.000 0.035 0.000 0.943 200 D CB 1.383 42.252 40.800 0.115 0.000 1.514 200 D HN 0.676 nan 8.370 nan 0.000 0.585 201 I N 1.698 122.189 120.570 -0.133 0.000 3.928 201 I HA 0.113 4.283 4.170 -0.000 0.000 0.335 201 I C 0.584 176.651 176.117 -0.083 0.000 1.325 201 I CA -0.371 60.784 61.300 -0.242 0.000 1.107 201 I CB -0.262 37.387 38.000 -0.585 0.000 1.014 201 I HN 0.342 nan 8.210 nan 0.000 0.400 202 N N 2.290 121.000 118.700 0.016 0.000 2.716 202 N HA -0.271 4.468 4.740 -0.000 0.000 0.250 202 N C 0.892 176.389 175.510 -0.022 0.000 1.033 202 N CA 0.933 54.010 53.050 0.045 0.000 0.727 202 N CB -0.565 38.069 38.487 0.246 0.000 0.950 202 N HN 0.670 nan 8.380 nan 0.000 0.541 203 A N -1.411 121.389 122.820 -0.035 0.000 2.847 203 A HA -0.280 4.040 4.320 -0.000 0.000 0.263 203 A C 1.311 178.916 177.584 0.036 0.000 1.391 203 A CA 1.611 53.640 52.037 -0.014 0.000 0.866 203 A CB -0.761 18.200 19.000 -0.065 0.000 1.057 203 A HN 0.404 nan 8.150 nan 0.000 0.673 204 R N -1.854 118.675 120.500 0.048 0.000 2.359 204 R HA 0.156 4.496 4.340 -0.000 0.000 0.231 204 R C -0.440 176.029 176.300 0.281 0.000 0.913 204 R CA 0.028 56.198 56.100 0.117 0.000 1.075 204 R CB -0.144 30.211 30.300 0.091 0.000 1.087 204 R HN 0.630 nan 8.270 nan 0.000 0.515 205 W N 1.865 123.165 121.300 0.001 0.000 2.606 205 W HA 0.200 4.860 4.660 -0.000 0.000 0.332 205 W C 0.072 176.594 176.519 0.006 0.000 1.052 205 W CA -1.941 55.404 57.345 -0.001 0.000 1.223 205 W CB 0.938 30.397 29.460 -0.002 0.000 1.383 205 W HN 0.028 nan 8.180 nan 0.000 0.524 206 D N 0.896 121.401 120.400 0.175 0.000 2.383 206 D HA 0.157 4.797 4.640 -0.000 0.000 0.248 206 D C 1.363 177.723 176.300 0.100 0.000 1.170 206 D CA -0.508 53.551 54.000 0.098 0.000 0.977 206 D CB 0.720 41.543 40.800 0.038 0.000 1.120 206 D HN 0.405 nan 8.370 nan 0.000 0.481 207 R N 0.203 120.747 120.500 0.073 0.000 2.112 207 R HA -0.244 4.096 4.340 -0.000 0.000 0.242 207 R C 2.129 178.462 176.300 0.054 0.000 1.137 207 R CA 1.555 57.696 56.100 0.068 0.000 0.944 207 R CB -0.193 30.135 30.300 0.046 0.000 0.857 207 R HN 0.577 nan 8.270 nan 0.000 0.435 208 R N -0.365 120.150 120.500 0.024 0.000 2.091 208 R HA -0.125 4.215 4.340 -0.000 0.000 0.238 208 R C 1.985 178.285 176.300 0.000 0.000 1.136 208 R CA 2.259 58.361 56.100 0.005 0.000 0.959 208 R CB -0.395 29.891 30.300 -0.023 0.000 0.856 208 R HN 0.326 nan 8.270 nan 0.000 0.437 209 T N 0.599 115.133 114.554 -0.033 0.000 2.746 209 T HA -0.108 4.241 4.350 -0.000 0.000 0.267 209 T C 1.805 176.503 174.700 -0.003 0.000 1.039 209 T CA 1.370 63.407 62.100 -0.104 0.000 1.142 209 T CB -0.290 68.356 68.868 -0.371 0.000 0.866 209 T HN 0.459 nan 8.240 nan 0.000 0.444 210 A N 1.425 124.340 122.820 0.159 0.000 1.883 210 A HA -0.014 4.305 4.320 -0.000 0.000 0.217 210 A C 2.280 179.961 177.584 0.161 0.000 1.186 210 A CA 1.317 53.552 52.037 0.330 0.000 0.624 210 A CB -0.947 18.219 19.000 0.277 0.000 0.822 210 A HN 0.486 nan 8.150 nan 0.000 0.444 211 L N -1.342 119.937 121.223 0.093 0.000 2.191 211 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 211 L C 2.670 179.539 176.870 -0.002 0.000 1.103 211 L CA 1.403 56.270 54.840 0.045 0.000 0.769 211 L CB -0.584 41.497 42.059 0.037 0.000 0.908 211 L HN 0.608 nan 8.230 nan 0.000 0.438 212 H N -0.678 118.316 119.070 -0.127 0.000 2.355 212 H HA -0.101 4.455 4.556 -0.001 0.000 0.303 212 H C 1.926 177.013 175.328 -0.402 0.000 1.061 212 H CA 1.727 57.587 56.048 -0.315 0.000 1.368 212 H CB 0.228 29.692 29.762 -0.496 0.000 1.412 212 H HN 0.259 nan 8.280 nan 0.000 0.523 213 Y N 0.413 120.742 120.300 0.050 0.000 2.448 213 Y HA 0.048 4.598 4.550 -0.000 0.000 0.289 213 Y C 2.768 178.718 175.900 0.084 0.000 1.114 213 Y CA 0.096 58.231 58.100 0.058 0.000 1.235 213 Y CB -0.042 38.423 38.460 0.008 0.000 1.045 213 Y HN 0.054 nan 8.280 nan 0.000 0.554 214 L N 0.203 121.533 121.223 0.178 0.000 2.131 214 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 214 L C -0.688 176.221 176.870 0.064 0.000 1.092 214 L CA 0.978 55.789 54.840 -0.049 0.000 0.759 214 L CB -1.555 40.268 42.059 -0.393 0.000 0.903 214 L HN 0.173 nan 8.230 nan 0.000 0.435 215 P HA -0.177 nan 4.420 nan 0.000 0.216 215 P C 1.812 179.174 177.300 0.104 0.000 1.150 215 P CA 1.420 64.571 63.100 0.085 0.000 0.837 215 P CB 0.068 31.762 31.700 -0.009 0.000 0.786 216 I N -1.274 119.347 120.570 0.086 0.000 2.208 216 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 216 I C 2.149 178.357 176.117 0.152 0.000 1.097 216 I CA 1.439 62.803 61.300 0.105 0.000 1.363 216 I CB -0.686 37.391 38.000 0.128 0.000 1.051 216 I HN -0.085 nan 8.210 nan 0.000 0.413 217 L N 0.316 121.662 121.223 0.205 0.000 2.217 217 L HA -0.110 4.230 4.340 -0.000 0.000 0.211 217 L C 2.799 179.849 176.870 0.300 0.000 1.107 217 L CA 0.873 55.865 54.840 0.254 0.000 0.783 217 L CB -0.764 41.479 42.059 0.307 0.000 0.919 217 L HN 0.237 nan 8.230 nan 0.000 0.442 218 A N 0.261 123.287 122.820 0.343 0.000 1.854 218 A HA -0.226 4.094 4.320 -0.000 0.000 0.214 218 A C 2.266 179.929 177.584 0.131 0.000 1.192 218 A CA 1.509 53.700 52.037 0.258 0.000 0.611 218 A CB -0.466 18.698 19.000 0.272 0.000 0.832 218 A HN 0.411 nan 8.150 nan 0.000 0.442 219 E N -0.119 120.150 120.200 0.116 0.000 2.204 219 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 219 E C 1.722 178.364 176.600 0.070 0.000 0.990 219 E CA 0.895 57.339 56.400 0.074 0.000 0.821 219 E CB -0.179 29.557 29.700 0.060 0.000 0.750 219 E HN 0.537 nan 8.360 nan 0.000 0.477 220 A N -0.395 122.479 122.820 0.090 0.000 2.238 220 A HA 0.263 4.583 4.320 -0.000 0.000 0.208 220 A C 1.634 179.261 177.584 0.071 0.000 1.177 220 A CA 0.912 52.996 52.037 0.079 0.000 0.804 220 A CB -0.081 18.974 19.000 0.091 0.000 0.823 220 A HN 0.456 nan 8.150 nan 0.000 0.482 221 G N -1.807 107.035 108.800 0.070 0.000 2.184 221 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.206 221 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.206 221 G C 0.205 175.131 174.900 0.043 0.000 0.995 221 G CA -0.071 45.059 45.100 0.050 0.000 0.651 221 G HN 0.705 nan 8.290 nan 0.000 0.511 222 V N 1.484 121.440 119.914 0.071 0.000 2.599 222 V HA 0.166 4.286 4.120 -0.000 0.000 0.300 222 V C 1.400 177.434 176.094 -0.100 0.000 1.034 222 V CA 1.293 63.623 62.300 0.051 0.000 1.115 222 V CB 1.181 33.121 31.823 0.194 0.000 0.934 222 V HN 0.506 nan 8.190 nan 0.000 0.485 223 E N 3.576 123.720 120.200 -0.093 0.000 2.472 223 E HA 0.238 4.588 4.350 -0.000 0.000 0.196 223 E C -0.284 176.182 176.600 -0.223 0.000 1.033 223 E CA -0.001 56.315 56.400 -0.140 0.000 0.886 223 E CB 0.779 30.464 29.700 -0.026 0.000 0.944 223 E HN 0.433 nan 8.360 nan 0.000 0.492 224 L N 0.321 121.394 121.223 -0.250 0.000 2.543 224 L HA 0.319 4.659 4.340 -0.000 0.000 0.265 224 L C -1.892 174.919 176.870 -0.098 0.000 0.945 224 L CA -0.559 54.157 54.840 -0.207 0.000 0.869 224 L CB 1.259 43.308 42.059 -0.018 0.000 1.294 224 L HN -0.235 nan 8.230 nan 0.000 0.405 225 F N 3.342 123.306 119.950 0.024 0.000 2.334 225 F HA 0.458 4.984 4.527 -0.001 0.000 0.367 225 F C 0.607 176.417 175.800 0.017 0.000 1.115 225 F CA -0.680 57.330 58.000 0.017 0.000 1.116 225 F CB 0.991 40.007 39.000 0.026 0.000 1.230 225 F HN 0.480 nan 8.300 nan 0.000 0.484 226 E N 2.283 122.602 120.200 0.198 0.000 2.259 226 E HA 0.110 4.460 4.350 -0.000 0.000 0.281 226 E C -0.077 176.583 176.600 0.100 0.000 1.027 226 E CA -0.753 55.727 56.400 0.133 0.000 0.838 226 E CB 0.683 30.456 29.700 0.122 0.000 1.066 226 E HN 0.518 nan 8.360 nan 0.000 0.401 227 Q N 4.237 124.092 119.800 0.093 0.000 2.335 227 Q HA -0.172 4.168 4.340 -0.000 0.000 0.354 227 Q C -1.938 174.071 176.000 0.016 0.000 1.217 227 Q CA 0.543 56.381 55.803 0.058 0.000 1.142 227 Q CB 0.125 28.891 28.738 0.046 0.000 1.283 227 Q HN 0.423 nan 8.270 nan 0.000 0.297 228 P HA -0.004 nan 4.420 nan 0.000 0.235 228 P C -0.111 177.202 177.300 0.022 0.000 1.177 228 P CA 0.840 63.902 63.100 -0.064 0.000 0.785 228 P CB 0.498 32.143 31.700 -0.092 0.000 0.885 229 T N -4.302 110.285 114.554 0.055 0.000 2.926 229 T HA 0.565 4.914 4.350 -0.000 0.000 0.289 229 T C -3.104 171.621 174.700 0.042 0.000 1.054 229 T CA -2.903 59.244 62.100 0.079 0.000 1.015 229 T CB 0.738 69.661 68.868 0.092 0.000 1.167 229 T HN -0.299 nan 8.240 nan 0.000 0.526 230 P HA 0.116 nan 4.420 nan 0.000 0.263 230 P C 0.774 178.077 177.300 0.006 0.000 1.168 230 P CA 0.252 63.360 63.100 0.012 0.000 0.759 230 P CB 0.136 31.847 31.700 0.017 0.000 0.782 231 A N 4.050 126.861 122.820 -0.015 0.000 1.917 231 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 231 A C 1.739 179.327 177.584 0.006 0.000 1.182 231 A CA 2.465 54.501 52.037 -0.001 0.000 0.633 231 A CB -1.517 17.474 19.000 -0.015 0.000 0.819 231 A HN 0.715 nan 8.150 nan 0.000 0.448 232 D N -0.959 119.435 120.400 -0.010 0.000 2.224 232 D HA -0.091 4.549 4.640 -0.000 0.000 0.205 232 D C 0.587 176.890 176.300 0.005 0.000 0.965 232 D CA 0.867 54.862 54.000 -0.010 0.000 0.852 232 D CB -0.230 40.558 40.800 -0.020 0.000 0.947 232 D HN 0.252 nan 8.370 nan 0.000 0.494 233 D N 0.242 120.651 120.400 0.014 0.000 2.558 233 D HA 0.077 4.717 4.640 -0.000 0.000 0.221 233 D C 1.116 177.434 176.300 0.030 0.000 1.143 233 D CA -0.137 53.876 54.000 0.022 0.000 1.010 233 D CB 0.160 40.976 40.800 0.027 0.000 1.068 233 D HN 0.251 nan 8.370 nan 0.000 0.511 234 L N 1.216 122.456 121.223 0.028 0.000 2.141 234 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 234 L C 2.066 178.956 176.870 0.035 0.000 1.094 234 L CA 0.803 55.663 54.840 0.034 0.000 0.763 234 L CB -0.154 41.923 42.059 0.030 0.000 0.908 234 L HN 0.273 nan 8.230 nan 0.000 0.437 235 E N -0.282 119.936 120.200 0.029 0.000 2.153 235 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 235 E C 2.093 178.714 176.600 0.036 0.000 0.988 235 E CA 1.620 58.037 56.400 0.029 0.000 0.811 235 E CB -0.078 29.636 29.700 0.022 0.000 0.746 235 E HN 0.400 nan 8.360 nan 0.000 0.466 236 T N 1.226 115.804 114.554 0.040 0.000 2.821 236 T HA -0.063 4.287 4.350 -0.000 0.000 0.267 236 T C 1.879 176.616 174.700 0.061 0.000 1.046 236 T CA 0.606 62.735 62.100 0.049 0.000 1.139 236 T CB -0.074 68.825 68.868 0.051 0.000 0.871 236 T HN 0.090 nan 8.240 nan 0.000 0.454 237 L N 0.714 121.974 121.223 0.062 0.000 2.046 237 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 237 L C 2.833 179.747 176.870 0.074 0.000 1.077 237 L CA 1.261 56.147 54.840 0.075 0.000 0.747 237 L CB -0.471 41.630 42.059 0.070 0.000 0.896 237 L HN 0.135 nan 8.230 nan 0.000 0.432 238 R N 0.894 121.428 120.500 0.057 0.000 2.073 238 R HA -0.228 4.112 4.340 -0.000 0.000 0.234 238 R C 2.093 178.425 176.300 0.053 0.000 1.134 238 R CA 1.885 58.015 56.100 0.049 0.000 0.952 238 R CB -0.508 29.814 30.300 0.037 0.000 0.850 238 R HN 0.245 nan 8.270 nan 0.000 0.433 239 E N 0.443 120.674 120.200 0.052 0.000 2.110 239 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 239 E C 1.941 178.581 176.600 0.067 0.000 0.988 239 E CA 1.672 58.102 56.400 0.050 0.000 0.804 239 E CB -0.417 29.308 29.700 0.042 0.000 0.745 239 E HN 0.608 nan 8.360 nan 0.000 0.458 240 I N -1.430 119.192 120.570 0.087 0.000 2.394 240 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 240 I C 1.781 177.987 176.117 0.149 0.000 1.136 240 I CA 1.684 63.054 61.300 0.116 0.000 1.425 240 I CB -0.414 37.664 38.000 0.131 0.000 1.079 240 I HN -0.058 nan 8.210 nan 0.000 0.425 241 T N 0.933 115.565 114.554 0.130 0.000 2.867 241 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 241 T C 1.995 176.739 174.700 0.074 0.000 1.057 241 T CA 1.257 63.421 62.100 0.107 0.000 1.136 241 T CB -0.232 68.678 68.868 0.069 0.000 0.874 241 T HN 0.414 nan 8.240 nan 0.000 0.466 242 R N 0.619 121.156 120.500 0.061 0.000 2.092 242 R HA 0.068 4.408 4.340 -0.000 0.000 0.231 242 R C 2.556 178.883 176.300 0.045 0.000 1.119 242 R CA 1.047 57.173 56.100 0.044 0.000 0.970 242 R CB -0.045 30.276 30.300 0.035 0.000 0.864 242 R HN 0.319 nan 8.270 nan 0.000 0.440 243 R N -0.729 119.805 120.500 0.056 0.000 2.210 243 R HA -0.000 4.339 4.340 -0.000 0.000 0.203 243 R C 1.898 178.237 176.300 0.064 0.000 1.010 243 R CA 1.524 57.653 56.100 0.049 0.000 1.008 243 R CB 0.219 30.544 30.300 0.041 0.000 0.923 243 R HN 0.288 nan 8.270 nan 0.000 0.469 244 T N -3.217 111.398 114.554 0.102 0.000 2.990 244 T HA 0.099 4.448 4.350 -0.000 0.000 0.249 244 T C 0.756 175.509 174.700 0.088 0.000 1.039 244 T CA -0.236 61.943 62.100 0.131 0.000 1.036 244 T CB 0.227 69.260 68.868 0.275 0.000 0.994 244 T HN 0.036 nan 8.240 nan 0.000 0.489 245 N N 0.697 119.435 118.700 0.063 0.000 2.782 245 N HA -0.131 4.609 4.740 -0.000 0.000 0.251 245 N C -0.227 175.274 175.510 -0.014 0.000 1.101 245 N CA 0.965 54.029 53.050 0.023 0.000 0.764 245 N CB -1.710 36.786 38.487 0.015 0.000 1.122 245 N HN 0.699 nan 8.380 nan 0.000 0.561 246 V N -0.665 119.233 119.914 -0.026 0.000 2.513 246 V HA 0.606 4.725 4.120 -0.000 0.000 0.299 246 V C 0.583 176.581 176.094 -0.161 0.000 1.035 246 V CA -0.514 61.678 62.300 -0.180 0.000 0.889 246 V CB 1.983 33.524 31.823 -0.469 0.000 0.988 246 V HN 0.182 nan 8.190 nan 0.000 0.440 247 S N 4.206 119.799 115.700 -0.177 0.000 2.558 247 S HA 0.399 4.868 4.470 -0.000 0.000 0.288 247 S C 0.009 174.555 174.600 -0.089 0.000 1.318 247 S CA -0.191 57.936 58.200 -0.123 0.000 1.056 247 S CB 1.090 64.195 63.200 -0.158 0.000 0.853 247 S HN 0.792 nan 8.310 nan 0.000 0.505 251 D N 0.211 120.702 120.400 0.152 0.000 3.074 251 D HA 0.071 4.710 4.640 -0.000 0.000 0.227 251 D C 1.422 177.861 176.300 0.232 0.000 1.553 251 D CA 0.866 54.984 54.000 0.197 0.000 1.347 251 D CB 0.252 41.192 40.800 0.233 0.000 1.021 251 D HN 0.469 nan 8.370 nan 0.000 0.260 252 E N 0.747 121.019 120.200 0.120 0.000 2.331 252 E HA -0.074 4.276 4.350 -0.000 0.000 0.199 252 E C 1.821 178.600 176.600 0.298 0.000 1.008 252 E CA 0.568 57.029 56.400 0.102 0.000 0.843 252 E CB -0.361 29.151 29.700 -0.313 0.000 0.761 252 E HN 0.069 nan 8.360 nan 0.000 0.507 253 S N 0.142 115.960 115.700 0.196 0.000 2.481 253 S HA 0.029 4.499 4.470 -0.000 0.000 0.231 253 S C 0.710 175.452 174.600 0.236 0.000 0.996 253 S CA 0.266 58.567 58.200 0.169 0.000 0.942 253 S CB 0.333 63.598 63.200 0.109 0.000 0.768 253 S HN 0.032 nan 8.310 nan 0.000 0.520 254 V N 1.403 121.517 119.914 0.332 0.000 2.357 254 V HA 0.272 4.392 4.120 -0.000 0.000 0.281 254 V C -0.606 175.792 176.094 0.506 0.000 1.015 254 V CA -0.637 61.872 62.300 0.349 0.000 0.827 254 V CB 1.061 33.030 31.823 0.244 0.000 1.018 254 V HN 0.467 nan 8.190 nan 0.000 0.432 255 W N 1.939 123.330 121.300 0.152 0.000 3.033 255 W HA 0.209 4.869 4.660 -0.000 0.000 0.250 255 W C 1.497 178.152 176.519 0.226 0.000 1.105 255 W CA 0.764 58.201 57.345 0.154 0.000 1.655 255 W CB -0.256 29.242 29.460 0.064 0.000 1.001 255 W HN 0.552 nan 8.180 nan 0.000 0.653 256 T N -2.648 112.110 114.554 0.341 0.000 2.944 256 T HA 0.371 4.721 4.350 -0.000 0.000 0.284 256 T C -1.955 172.786 174.700 0.068 0.000 1.010 256 T CA -2.005 60.192 62.100 0.161 0.000 1.025 256 T CB 2.413 71.338 68.868 0.095 0.000 1.079 256 T HN -0.363 nan 8.240 nan 0.000 0.516 257 P HA 0.020 nan 4.420 nan 0.000 0.217 257 P C 1.576 178.882 177.300 0.010 0.000 1.150 257 P CA 1.362 64.456 63.100 -0.010 0.000 0.832 257 P CB -0.227 31.466 31.700 -0.013 0.000 0.787 258 A N -0.209 122.621 122.820 0.017 0.000 1.969 258 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 258 A C 2.087 179.684 177.584 0.021 0.000 1.169 258 A CA 1.571 53.617 52.037 0.014 0.000 0.635 258 A CB -1.064 17.940 19.000 0.006 0.000 0.810 258 A HN 0.182 nan 8.150 nan 0.000 0.445 259 E N -0.349 119.875 120.200 0.038 0.000 2.152 259 E HA -0.001 4.349 4.350 -0.000 0.000 0.192 259 E C 2.255 178.892 176.600 0.062 0.000 0.983 259 E CA 0.731 57.163 56.400 0.054 0.000 0.818 259 E CB -0.218 29.536 29.700 0.090 0.000 0.758 259 E HN 0.616 nan 8.360 nan 0.000 0.467 260 A N 1.311 124.164 122.820 0.056 0.000 1.930 260 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 260 A C 2.128 179.730 177.584 0.030 0.000 1.175 260 A CA 0.771 52.834 52.037 0.044 0.000 0.627 260 A CB -0.507 18.499 19.000 0.011 0.000 0.815 260 A HN 0.237 nan 8.150 nan 0.000 0.443 261 L N -0.808 120.428 121.223 0.022 0.000 2.093 261 L HA -0.154 4.185 4.340 -0.000 0.000 0.208 261 L C 2.846 179.727 176.870 0.019 0.000 1.085 261 L CA 1.371 56.221 54.840 0.016 0.000 0.755 261 L CB -0.477 41.589 42.059 0.011 0.000 0.904 261 L HN 0.448 nan 8.230 nan 0.000 0.435 262 A N -0.841 121.992 122.820 0.022 0.000 1.930 262 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 262 A C 2.195 179.794 177.584 0.025 0.000 1.175 262 A CA 1.590 53.639 52.037 0.020 0.000 0.627 262 A CB -0.711 18.300 19.000 0.019 0.000 0.815 262 A HN 0.286 nan 8.150 nan 0.000 0.443 263 V N -0.477 119.458 119.914 0.034 0.000 2.427 263 V HA -0.208 3.911 4.120 -0.000 0.000 0.248 263 V C 2.577 178.689 176.094 0.029 0.000 1.051 263 V CA 1.871 64.194 62.300 0.038 0.000 1.048 263 V CB -0.489 31.365 31.823 0.052 0.000 0.666 263 V HN 0.378 nan 8.190 nan 0.000 0.456 264 V N -0.248 119.681 119.914 0.025 0.000 2.295 264 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 264 V C 2.421 178.525 176.094 0.016 0.000 1.049 264 V CA 2.131 64.442 62.300 0.019 0.000 1.024 264 V CB -0.627 31.206 31.823 0.016 0.000 0.648 264 V HN 0.536 nan 8.190 nan 0.000 0.447 265 K N 0.158 120.567 120.400 0.015 0.000 2.097 265 K HA -0.083 4.236 4.320 -0.000 0.000 0.206 265 K C 2.023 178.631 176.600 0.014 0.000 1.049 265 K CA 1.467 57.761 56.287 0.013 0.000 0.933 265 K CB -0.317 32.190 32.500 0.011 0.000 0.717 265 K HN 0.480 nan 8.250 nan 0.000 0.442 266 A N 0.706 123.537 122.820 0.017 0.000 2.208 266 A HA -0.060 4.260 4.320 -0.000 0.000 0.209 266 A C 0.224 177.820 177.584 0.020 0.000 1.161 266 A CA 0.174 52.222 52.037 0.019 0.000 0.782 266 A CB -0.125 18.888 19.000 0.022 0.000 0.816 266 A HN 0.359 nan 8.150 nan 0.000 0.477 267 Q N -2.217 117.595 119.800 0.019 0.000 2.453 267 Q HA -0.287 4.053 4.340 -0.000 0.000 0.294 267 Q C 1.013 177.027 176.000 0.023 0.000 1.295 267 Q CA 0.255 56.069 55.803 0.018 0.000 0.853 267 Q CB -1.930 26.817 28.738 0.014 0.000 1.193 267 Q HN 0.813 nan 8.270 nan 0.000 0.461 268 A N -0.636 122.201 122.820 0.029 0.000 2.123 268 A HA 0.488 4.808 4.320 -0.000 0.000 0.214 268 A C 0.811 178.420 177.584 0.041 0.000 1.152 268 A CA 1.128 53.187 52.037 0.037 0.000 0.728 268 A CB 0.512 19.537 19.000 0.041 0.000 0.814 268 A HN 0.729 nan 8.150 nan 0.000 0.464 269 A N -1.208 121.631 122.820 0.032 0.000 2.589 269 A HA 0.544 4.864 4.320 -0.000 0.000 0.296 269 A C -0.645 176.941 177.584 0.003 0.000 1.062 269 A CA -0.313 51.740 52.037 0.027 0.000 0.686 269 A CB 0.522 19.547 19.000 0.043 0.000 1.282 269 A HN -0.048 nan 8.150 nan 0.000 0.404 270 D N -0.188 120.198 120.400 -0.025 0.000 2.271 270 D HA 0.200 4.840 4.640 -0.000 0.000 0.206 270 D C 0.449 176.701 176.300 -0.080 0.000 0.967 270 D CA 1.490 55.454 54.000 -0.059 0.000 0.867 270 D CB 0.480 41.221 40.800 -0.098 0.000 0.960 270 D HN 0.320 nan 8.370 nan 0.000 0.509 271 V N 0.909 120.782 119.914 -0.069 0.000 2.876 271 V HA 0.438 4.558 4.120 -0.000 0.000 0.312 271 V C -0.250 175.868 176.094 0.040 0.000 1.085 271 V CA -0.891 61.380 62.300 -0.049 0.000 0.945 271 V CB 3.022 34.757 31.823 -0.146 0.000 1.017 271 V HN -0.162 nan 8.190 nan 0.000 0.428 272 I N 2.216 122.840 120.570 0.091 0.000 2.433 272 I HA 0.613 4.783 4.170 -0.000 0.000 0.292 272 I C 0.418 176.645 176.117 0.183 0.000 1.001 272 I CA -0.780 60.596 61.300 0.127 0.000 1.119 272 I CB 1.991 40.059 38.000 0.114 0.000 1.289 272 I HN 0.758 nan 8.210 nan 0.000 0.438 273 A N 7.417 130.349 122.820 0.187 0.000 2.544 273 A HA 0.279 4.598 4.320 -0.000 0.000 0.301 273 A C -0.368 177.305 177.584 0.148 0.000 1.368 273 A CA -0.228 51.928 52.037 0.198 0.000 1.045 273 A CB -0.198 18.907 19.000 0.176 0.000 1.129 273 A HN 0.516 nan 8.150 nan 0.000 0.540 274 L N 3.606 124.926 121.223 0.161 0.000 2.342 274 L HA 0.363 4.703 4.340 -0.000 0.000 0.285 274 L C -0.261 176.579 176.870 -0.049 0.000 1.095 274 L CA 0.309 55.270 54.840 0.201 0.000 0.843 274 L CB -0.200 41.955 42.059 0.161 0.000 1.201 274 L HN 0.547 nan 8.230 nan 0.000 0.445 275 K N 3.434 123.649 120.400 -0.309 0.000 2.358 275 K HA 0.287 4.607 4.320 -0.000 0.000 0.260 275 K C 1.128 177.427 176.600 -0.502 0.000 0.956 275 K CA 0.013 56.035 56.287 -0.443 0.000 0.834 275 K CB 1.515 33.699 32.500 -0.528 0.000 1.102 275 K HN 0.673 nan 8.250 nan 0.000 0.431 276 T N -1.854 112.466 114.554 -0.390 0.000 2.849 276 T HA -0.219 4.131 4.350 -0.000 0.000 0.270 276 T C 1.887 176.390 174.700 -0.329 0.000 1.066 276 T CA 2.057 63.938 62.100 -0.364 0.000 1.130 276 T CB -0.475 68.196 68.868 -0.327 0.000 0.864 276 T HN 0.663 nan 8.240 nan 0.000 0.481 277 T N 0.215 114.548 114.554 -0.370 0.000 2.809 277 T HA 0.066 4.416 4.350 -0.000 0.000 0.260 277 T C 1.940 176.196 174.700 -0.739 0.000 1.039 277 T CA 1.060 62.942 62.100 -0.364 0.000 1.141 277 T CB -0.331 68.407 68.868 -0.217 0.000 0.869 277 T HN 0.479 nan 8.240 nan 0.000 0.437 278 K N 0.359 120.109 120.400 -1.084 0.000 2.097 278 K HA -0.166 4.153 4.320 -0.000 0.000 0.205 278 K C 2.136 178.157 176.600 -0.965 0.000 1.050 278 K CA 1.240 56.502 56.287 -1.709 0.000 0.938 278 K CB -0.234 31.403 32.500 -1.439 0.000 0.718 278 K HN 0.448 nan 8.250 nan 0.000 0.442 279 H N -0.781 118.005 119.070 -0.473 0.000 2.555 279 H HA 0.079 4.635 4.556 -0.001 0.000 0.269 279 H C 1.070 176.295 175.328 -0.172 0.000 0.988 279 H CA 1.071 56.975 56.048 -0.241 0.000 1.178 279 H CB 0.393 30.022 29.762 -0.222 0.000 1.373 279 H HN 0.562 nan 8.280 nan 0.000 0.588 280 G N -0.215 108.502 108.800 -0.138 0.000 2.142 280 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.225 280 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.225 280 G C 0.553 175.434 174.900 -0.032 0.000 1.015 280 G CA 0.338 45.401 45.100 -0.062 0.000 0.716 280 G HN 0.921 nan 8.290 nan 0.000 0.508 281 G N -2.106 106.653 108.800 -0.069 0.000 2.381 281 G HA2 0.207 4.167 3.960 -0.000 0.000 0.672 281 G HA3 0.207 4.167 3.960 -0.000 0.000 0.672 281 G C 0.624 175.472 174.900 -0.087 0.000 1.324 281 G CA -0.129 44.946 45.100 -0.042 0.000 0.975 281 G HN 0.984 nan 8.290 nan 0.000 0.593 282 L N 0.286 121.451 121.223 -0.097 0.000 2.093 282 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 282 L C 3.034 179.917 176.870 0.021 0.000 1.085 282 L CA 1.087 55.857 54.840 -0.116 0.000 0.755 282 L CB -0.479 41.376 42.059 -0.341 0.000 0.904 282 L HN 0.539 nan 8.230 nan 0.000 0.435 283 L N -0.649 120.623 121.223 0.081 0.000 1.994 283 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 283 L C 2.798 179.711 176.870 0.070 0.000 1.071 283 L CA 1.132 56.047 54.840 0.125 0.000 0.745 283 L CB -0.619 41.534 42.059 0.158 0.000 0.892 283 L HN 0.272 nan 8.230 nan 0.000 0.431 284 E N 0.134 120.351 120.200 0.029 0.000 2.085 284 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 284 E C 2.359 178.911 176.600 -0.081 0.000 0.994 284 E CA 1.350 57.745 56.400 -0.010 0.000 0.801 284 E CB -0.276 29.427 29.700 0.005 0.000 0.743 284 E HN 0.352 nan 8.360 nan 0.000 0.453 285 S N 1.061 116.679 115.700 -0.137 0.000 2.365 285 S HA -0.150 4.320 4.470 -0.000 0.000 0.225 285 S C 1.790 176.392 174.600 0.003 0.000 1.039 285 S CA 1.077 59.084 58.200 -0.322 0.000 1.033 285 S CB -0.069 62.584 63.200 -0.911 0.000 0.887 285 S HN 0.142 nan 8.310 nan 0.000 0.447 286 K N 1.438 121.999 120.400 0.269 0.000 2.113 286 K HA -0.085 4.235 4.320 -0.000 0.000 0.208 286 K C 1.961 178.634 176.600 0.122 0.000 1.047 286 K CA 1.297 57.764 56.287 0.299 0.000 0.928 286 K CB -0.351 32.268 32.500 0.198 0.000 0.716 286 K HN 0.424 nan 8.250 nan 0.000 0.446 287 K N 0.338 120.765 120.400 0.045 0.000 2.025 287 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 287 K C 2.168 178.747 176.600 -0.035 0.000 1.049 287 K CA 0.889 57.178 56.287 0.003 0.000 0.933 287 K CB -0.148 32.345 32.500 -0.011 0.000 0.714 287 K HN 0.006 nan 8.250 nan 0.000 0.438 288 I N 1.632 122.130 120.570 -0.121 0.000 2.127 288 I HA -0.273 3.897 4.170 -0.000 0.000 0.241 288 I C 2.572 178.658 176.117 -0.052 0.000 1.075 288 I CA 1.527 62.715 61.300 -0.187 0.000 1.334 288 I CB -1.448 36.229 38.000 -0.538 0.000 1.040 288 I HN 0.136 nan 8.210 nan 0.000 0.405 289 A N 0.824 123.663 122.820 0.032 0.000 1.908 289 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 289 A C 2.578 180.191 177.584 0.048 0.000 1.181 289 A CA 2.210 54.303 52.037 0.093 0.000 0.627 289 A CB -0.812 18.308 19.000 0.200 0.000 0.818 289 A HN 0.448 nan 8.150 nan 0.000 0.445 290 A N -0.170 122.672 122.820 0.036 0.000 1.877 290 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 290 A C 2.132 179.724 177.584 0.014 0.000 1.186 290 A CA 1.558 53.608 52.037 0.021 0.000 0.620 290 A CB -0.592 18.419 19.000 0.019 0.000 0.822 290 A HN 0.496 nan 8.150 nan 0.000 0.443 291 I N -0.278 120.297 120.570 0.008 0.000 2.202 291 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 291 I C 3.005 179.129 176.117 0.011 0.000 1.091 291 I CA 1.032 62.335 61.300 0.006 0.000 1.368 291 I CB -0.394 37.606 38.000 -0.001 0.000 1.058 291 I HN 0.348 nan 8.210 nan 0.000 0.410 292 A N 0.450 123.279 122.820 0.014 0.000 1.865 292 A HA -0.317 4.002 4.320 -0.000 0.000 0.217 292 A C 2.330 179.926 177.584 0.021 0.000 1.191 292 A CA 2.261 54.311 52.037 0.022 0.000 0.623 292 A CB -0.868 18.153 19.000 0.035 0.000 0.826 292 A HN 0.525 nan 8.150 nan 0.000 0.444 293 E N -0.209 120.005 120.200 0.023 0.000 2.085 293 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 293 E C 2.061 178.668 176.600 0.012 0.000 0.994 293 E CA 1.239 57.650 56.400 0.019 0.000 0.801 293 E CB -0.295 29.415 29.700 0.017 0.000 0.743 293 E HN 0.537 nan 8.360 nan 0.000 0.453 294 A N 0.382 123.208 122.820 0.011 0.000 2.019 294 A HA -0.044 4.276 4.320 -0.000 0.000 0.219 294 A C 2.201 179.789 177.584 0.008 0.000 1.164 294 A CA 1.434 53.476 52.037 0.008 0.000 0.644 294 A CB -0.562 18.442 19.000 0.008 0.000 0.805 294 A HN 0.403 nan 8.150 nan 0.000 0.449 295 G N -2.240 106.566 108.800 0.009 0.000 3.141 295 G HA2 0.384 4.343 3.960 -0.000 0.000 0.218 295 G HA3 0.384 4.343 3.960 -0.000 0.000 0.218 295 G C 1.103 176.007 174.900 0.006 0.000 1.170 295 G CA 0.447 45.552 45.100 0.008 0.000 0.769 295 G HN 1.543 nan 8.290 nan 0.000 0.546 296 G N -0.186 108.618 108.800 0.006 0.000 2.162 296 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.260 296 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.260 296 G C 0.414 175.314 174.900 -0.000 0.000 0.976 296 G CA 0.303 45.405 45.100 0.003 0.000 0.655 296 G HN 0.472 nan 8.290 nan 0.000 0.533 297 L N 0.727 121.953 121.223 0.005 0.000 2.349 297 L HA 0.626 4.966 4.340 -0.000 0.000 0.275 297 L C 1.109 177.986 176.870 0.012 0.000 1.115 297 L CA -0.160 54.681 54.840 0.003 0.000 0.820 297 L CB 1.165 43.232 42.059 0.013 0.000 1.135 297 L HN 0.306 nan 8.230 nan 0.000 0.445 298 A N 2.820 125.637 122.820 -0.004 0.000 2.332 298 A HA 0.446 4.766 4.320 -0.000 0.000 0.258 298 A C -0.445 177.185 177.584 0.078 0.000 1.087 298 A CA -0.291 51.762 52.037 0.026 0.000 0.802 298 A CB 0.587 19.572 19.000 -0.025 0.000 1.042 298 A HN 0.799 nan 8.150 nan 0.000 0.489 299 C N 0.749 120.131 119.300 0.137 0.000 2.379 299 C HA 0.612 5.071 4.460 -0.000 0.000 0.323 299 C C -0.143 175.013 174.990 0.278 0.000 1.262 299 C CA -0.262 58.867 59.018 0.185 0.000 1.581 299 C CB 0.446 28.283 27.740 0.162 0.000 2.221 299 C HN 0.984 nan 8.230 nan 0.000 0.497 300 H N 0.669 119.848 119.070 0.182 0.000 2.476 300 H HA 0.509 5.065 4.556 -0.000 0.000 0.328 300 H C 0.533 175.925 175.328 0.108 0.000 1.073 300 H CA 0.106 56.264 56.048 0.183 0.000 1.229 300 H CB 1.089 30.998 29.762 0.246 0.000 1.432 300 H HN 0.823 nan 8.280 nan 0.000 0.477 301 G N 4.389 113.052 108.800 -0.229 0.000 2.690 301 G HA2 0.423 4.383 3.960 -0.000 0.000 0.294 301 G HA3 0.423 4.383 3.960 -0.000 0.000 0.294 301 G C 0.133 174.787 174.900 -0.410 0.000 0.793 301 G CA 0.136 45.112 45.100 -0.205 0.000 1.818 301 G HN 0.835 nan 8.290 nan 0.000 0.515 302 A N 2.393 125.061 122.820 -0.253 0.000 2.280 302 A HA 0.818 5.138 4.320 -0.000 0.000 0.268 302 A C 0.636 178.073 177.584 -0.245 0.000 1.111 302 A CA -0.134 51.790 52.037 -0.188 0.000 0.814 302 A CB 1.079 20.083 19.000 0.008 0.000 1.093 302 A HN 0.669 nan 8.150 nan 0.000 0.498 303 T N -1.281 113.121 114.554 -0.252 0.000 2.906 303 T HA 0.489 4.839 4.350 -0.000 0.000 0.295 303 T C 0.192 174.701 174.700 -0.318 0.000 1.061 303 T CA -0.189 61.712 62.100 -0.331 0.000 1.000 303 T CB 1.399 69.974 68.868 -0.489 0.000 1.103 303 T HN 0.415 nan 8.240 nan 0.000 0.486 304 S N 2.623 118.119 115.700 -0.340 0.000 2.575 304 S HA 0.263 4.732 4.470 -0.000 0.000 0.237 304 S C -0.117 174.299 174.600 -0.306 0.000 0.975 304 S CA -0.325 57.645 58.200 -0.384 0.000 0.960 304 S CB -0.436 62.546 63.200 -0.363 0.000 0.822 304 S HN 0.710 nan 8.310 nan 0.000 0.472 305 L N 1.576 122.620 121.223 -0.297 0.000 3.548 305 L HA -0.162 4.178 4.340 -0.000 0.000 0.443 305 L C 0.043 176.791 176.870 -0.203 0.000 1.286 305 L CA 0.406 55.092 54.840 -0.258 0.000 0.863 305 L CB -2.142 39.834 42.059 -0.137 0.000 1.734 305 L HN 0.242 nan 8.230 nan 0.000 0.873 306 E N -0.544 119.529 120.200 -0.213 0.000 2.409 306 E HA 0.509 4.859 4.350 -0.000 0.000 0.257 306 E C 1.194 177.737 176.600 -0.094 0.000 1.150 306 E CA 0.600 56.918 56.400 -0.136 0.000 0.942 306 E CB 0.276 29.896 29.700 -0.133 0.000 0.979 306 E HN 0.359 nan 8.360 nan 0.000 0.447 307 G N 0.737 109.534 108.800 -0.005 0.000 2.546 307 G HA2 0.097 4.057 3.960 -0.000 0.000 0.239 307 G HA3 0.097 4.057 3.960 -0.000 0.000 0.239 307 G C -1.516 173.378 174.900 -0.011 0.000 1.476 307 G CA -0.447 44.679 45.100 0.044 0.000 1.064 307 G HN 0.466 nan 8.290 nan 0.000 0.561 308 P HA 0.017 nan 4.420 nan 0.000 0.220 308 P C 1.836 179.214 177.300 0.132 0.000 1.152 308 P CA 0.582 63.754 63.100 0.120 0.000 0.812 308 P CB 0.276 31.986 31.700 0.018 0.000 0.792 309 I N 0.584 121.165 120.570 0.019 0.000 2.202 309 I HA -0.095 4.075 4.170 -0.000 0.000 0.242 309 I C 2.685 178.849 176.117 0.078 0.000 1.091 309 I CA 1.879 63.225 61.300 0.077 0.000 1.368 309 I CB -2.021 36.053 38.000 0.124 0.000 1.058 309 I HN 0.006 nan 8.210 nan 0.000 0.410 310 G N 0.245 109.073 108.800 0.047 0.000 2.421 310 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.216 310 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.216 310 G C 1.652 176.521 174.900 -0.052 0.000 1.171 310 G CA 1.396 46.491 45.100 -0.007 0.000 0.775 310 G HN 0.311 nan 8.290 nan 0.000 0.543 311 T N 1.593 116.093 114.554 -0.089 0.000 2.759 311 T HA -0.018 4.332 4.350 -0.000 0.000 0.269 311 T C 2.755 177.389 174.700 -0.110 0.000 1.042 311 T CA 1.520 63.509 62.100 -0.184 0.000 1.140 311 T CB -0.305 68.346 68.868 -0.362 0.000 0.864 311 T HN 0.388 nan 8.240 nan 0.000 0.455 312 A N 1.246 124.096 122.820 0.049 0.000 1.930 312 A HA 0.235 4.555 4.320 -0.000 0.000 0.217 312 A C 2.636 180.263 177.584 0.071 0.000 1.175 312 A CA 1.666 53.794 52.037 0.152 0.000 0.627 312 A CB -1.022 18.113 19.000 0.225 0.000 0.815 312 A HN 0.498 nan 8.150 nan 0.000 0.443 313 A N -0.455 122.392 122.820 0.045 0.000 1.858 313 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 313 A C 2.426 180.025 177.584 0.024 0.000 1.190 313 A CA 2.106 54.160 52.037 0.030 0.000 0.617 313 A CB -0.967 18.038 19.000 0.010 0.000 0.827 313 A HN 0.439 nan 8.150 nan 0.000 0.443 314 S N -0.294 115.394 115.700 -0.021 0.000 2.419 314 S HA -0.030 4.440 4.470 -0.000 0.000 0.233 314 S C 1.726 176.347 174.600 0.036 0.000 1.016 314 S CA 1.185 59.376 58.200 -0.016 0.000 0.974 314 S CB -0.375 62.759 63.200 -0.110 0.000 0.786 314 S HN 0.484 nan 8.310 nan 0.000 0.492 315 L N 0.973 122.197 121.223 0.001 0.000 2.109 315 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 315 L C 2.699 179.584 176.870 0.026 0.000 1.086 315 L CA 0.785 55.624 54.840 -0.000 0.000 0.760 315 L CB -0.404 41.650 42.059 -0.010 0.000 0.910 315 L HN 0.246 nan 8.230 nan 0.000 0.437 316 Q N -0.541 119.285 119.800 0.044 0.000 2.079 316 Q HA -0.209 4.131 4.340 -0.000 0.000 0.200 316 Q C 2.132 178.147 176.000 0.025 0.000 0.974 316 Q CA 1.651 57.471 55.803 0.028 0.000 0.840 316 Q CB -0.442 28.317 28.738 0.035 0.000 0.898 316 Q HN 0.424 nan 8.270 nan 0.000 0.430 317 F N 1.354 121.266 119.950 -0.063 0.000 2.102 317 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 317 F C 2.208 177.977 175.800 -0.053 0.000 1.105 317 F CA 1.573 59.533 58.000 -0.066 0.000 1.239 317 F CB -0.202 38.755 39.000 -0.073 0.000 0.991 317 F HN 0.060 nan 8.300 nan 0.000 0.474 318 A N 0.254 123.102 122.820 0.046 0.000 1.972 318 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 318 A C 2.332 179.853 177.584 -0.105 0.000 1.169 318 A CA 1.558 53.574 52.037 -0.035 0.000 0.635 318 A CB -1.496 17.514 19.000 0.016 0.000 0.810 318 A HN 0.509 nan 8.150 nan 0.000 0.446 319 A N 0.128 122.897 122.820 -0.086 0.000 1.972 319 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 319 A C 2.289 179.802 177.584 -0.119 0.000 1.169 319 A CA 2.101 54.090 52.037 -0.082 0.000 0.635 319 A CB -0.609 18.358 19.000 -0.055 0.000 0.810 319 A HN 1.006 nan 8.150 nan 0.000 0.446 320 S N -2.005 113.584 115.700 -0.186 0.000 2.540 320 S HA 0.160 4.630 4.470 -0.000 0.000 0.218 320 S C 0.255 174.685 174.600 -0.283 0.000 0.977 320 S CA 0.287 58.362 58.200 -0.209 0.000 0.918 320 S CB -0.065 63.013 63.200 -0.203 0.000 0.806 320 S HN 0.236 nan 8.310 nan 0.000 0.496 321 T N 2.666 117.005 114.554 -0.358 0.000 2.893 321 T HA 0.384 4.733 4.350 -0.000 0.000 0.324 321 T C 0.515 175.108 174.700 -0.178 0.000 1.082 321 T CA -0.746 61.139 62.100 -0.358 0.000 0.983 321 T CB 1.573 70.023 68.868 -0.697 0.000 1.005 321 T HN -0.063 nan 8.240 nan 0.000 0.475 322 K N 2.684 123.015 120.400 -0.115 0.000 2.209 322 K HA -0.028 4.291 4.320 -0.000 0.000 0.204 322 K C 2.172 178.756 176.600 -0.026 0.000 1.048 322 K CA 0.977 57.230 56.287 -0.057 0.000 0.940 322 K CB -0.436 32.038 32.500 -0.043 0.000 0.729 322 K HN 0.687 nan 8.250 nan 0.000 0.451 323 A N 0.986 123.789 122.820 -0.028 0.000 2.125 323 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 323 A C 1.005 178.623 177.584 0.057 0.000 1.156 323 A CA 0.495 52.543 52.037 0.018 0.000 0.671 323 A CB -0.276 18.741 19.000 0.028 0.000 0.794 323 A HN 0.153 nan 8.150 nan 0.000 0.459 324 I N 2.000 122.598 120.570 0.047 0.000 2.357 324 I HA 0.014 4.184 4.170 -0.000 0.000 0.300 324 I C 1.011 177.179 176.117 0.086 0.000 1.159 324 I CA 0.716 62.070 61.300 0.091 0.000 1.339 324 I CB -0.250 37.791 38.000 0.068 0.000 1.458 324 I HN 0.375 nan 8.210 nan 0.000 0.577 325 S N 4.673 120.450 115.700 0.128 0.000 2.578 325 S HA 0.070 4.540 4.470 -0.000 0.000 0.231 325 S C 0.402 175.141 174.600 0.232 0.000 0.994 325 S CA -0.194 58.086 58.200 0.134 0.000 0.956 325 S CB 0.009 63.270 63.200 0.101 0.000 0.870 325 S HN 0.536 nan 8.310 nan 0.000 0.494 326 Y N 2.558 122.920 120.300 0.104 0.000 2.577 326 Y HA 0.492 5.042 4.550 -0.000 0.000 0.307 326 Y C 0.863 176.909 175.900 0.243 0.000 0.940 326 Y CA -0.362 57.819 58.100 0.136 0.000 1.132 326 Y CB 0.078 38.610 38.460 0.120 0.000 1.184 326 Y HN 0.456 nan 8.280 nan 0.000 0.611 327 G N 1.303 110.151 108.800 0.081 0.000 2.601 327 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.261 327 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.261 327 G C -0.072 174.806 174.900 -0.037 0.000 1.289 327 G CA 0.236 45.339 45.100 0.005 0.000 0.920 327 G HN 1.126 nan 8.290 nan 0.000 0.571 328 T N -3.561 110.904 114.554 -0.149 0.000 2.731 328 T HA 0.709 5.059 4.350 -0.000 0.000 0.300 328 T C -0.141 174.402 174.700 -0.261 0.000 1.283 328 T CA 0.458 62.274 62.100 -0.474 0.000 1.005 328 T CB 1.849 70.564 68.868 -0.253 0.000 1.420 328 T HN 1.704 nan 8.240 nan 0.000 0.503 329 E N 0.693 120.713 120.200 -0.300 0.000 3.428 329 E HA 0.322 4.672 4.350 -0.000 0.000 0.191 329 E C -0.269 176.145 176.600 -0.309 0.000 0.980 329 E CA -0.539 55.831 56.400 -0.049 0.000 1.305 329 E CB -0.110 29.657 29.700 0.111 0.000 1.105 329 E HN 0.504 nan 8.360 nan 0.000 0.455 330 L N 2.344 123.428 121.223 -0.232 0.000 2.533 330 L HA 0.201 4.541 4.340 -0.000 0.000 0.239 330 L C 0.159 176.930 176.870 -0.166 0.000 1.376 330 L CA -0.310 54.354 54.840 -0.292 0.000 1.240 330 L CB -0.766 41.161 42.059 -0.221 0.000 1.487 330 L HN 0.418 nan 8.230 nan 0.000 0.419 331 F N -2.343 117.550 119.950 -0.095 0.000 2.695 331 F HA 0.403 4.929 4.527 -0.001 0.000 0.303 331 F C 1.789 177.483 175.800 -0.177 0.000 1.091 331 F CA -0.514 57.406 58.000 -0.134 0.000 1.300 331 F CB -1.021 37.942 39.000 -0.062 0.000 1.071 331 F HN 0.131 nan 8.300 nan 0.000 0.578 332 G N 2.524 111.068 108.800 -0.427 0.000 2.732 332 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.222 332 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.222 332 G C -0.473 174.387 174.900 -0.066 0.000 1.203 332 G CA 1.687 46.626 45.100 -0.267 0.000 0.780 332 G HN 0.314 nan 8.290 nan 0.000 0.621 333 P HA -0.149 nan 4.420 nan 0.000 0.216 333 P C 1.885 179.218 177.300 0.054 0.000 1.154 333 P CA 1.748 64.862 63.100 0.024 0.000 0.865 333 P CB -0.176 31.578 31.700 0.090 0.000 0.789 334 Q N -1.605 118.205 119.800 0.015 0.000 2.368 334 Q HA -0.139 4.201 4.340 -0.000 0.000 0.210 334 Q C 1.708 177.758 176.000 0.083 0.000 0.982 334 Q CA 0.758 56.545 55.803 -0.026 0.000 0.884 334 Q CB -0.513 28.071 28.738 -0.256 0.000 0.933 334 Q HN 0.240 nan 8.270 nan 0.000 0.460 335 L N -0.115 121.170 121.223 0.103 0.000 2.341 335 L HA 0.061 4.401 4.340 -0.000 0.000 0.214 335 L C 0.569 177.452 176.870 0.022 0.000 1.115 335 L CA 0.731 55.610 54.840 0.065 0.000 0.820 335 L CB 0.123 42.167 42.059 -0.025 0.000 0.944 335 L HN 0.091 nan 8.230 nan 0.000 0.452 336 L N -0.332 120.900 121.223 0.016 0.000 2.397 336 L HA 0.051 4.391 4.340 -0.000 0.000 0.271 336 L C 1.592 178.476 176.870 0.022 0.000 1.148 336 L CA -0.243 54.595 54.840 -0.002 0.000 0.825 336 L CB 0.442 42.497 42.059 -0.007 0.000 1.117 336 L HN -0.058 nan 8.230 nan 0.000 0.456 337 K N 1.304 121.712 120.400 0.013 0.000 2.057 337 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 337 K C 0.385 177.030 176.600 0.075 0.000 1.049 337 K CA 1.549 57.866 56.287 0.050 0.000 0.931 337 K CB 0.124 32.661 32.500 0.063 0.000 0.714 337 K HN 0.751 nan 8.250 nan 0.000 0.440 338 D N -2.960 117.474 120.400 0.058 0.000 2.904 338 D HA 0.374 5.013 4.640 -0.000 0.000 0.290 338 D C -1.266 175.085 176.300 0.085 0.000 1.180 338 D CA -0.477 53.594 54.000 0.118 0.000 1.065 338 D CB 1.728 42.693 40.800 0.273 0.000 1.386 338 D HN -0.005 nan 8.370 nan 0.000 0.599 339 T N -1.690 112.962 114.554 0.162 0.000 2.769 339 T HA 0.466 4.816 4.350 -0.000 0.000 0.306 339 T C -1.534 173.325 174.700 0.265 0.000 1.400 339 T CA -0.535 61.639 62.100 0.125 0.000 1.007 339 T CB 0.466 69.341 68.868 0.012 0.000 1.392 339 T HN 0.376 nan 8.240 nan 0.000 0.500 340 Y N 1.810 122.180 120.300 0.116 0.000 2.634 340 Y HA 0.714 5.264 4.550 -0.000 0.000 0.292 340 Y C 0.124 176.040 175.900 0.027 0.000 0.996 340 Y CA -0.861 57.310 58.100 0.118 0.000 1.165 340 Y CB -0.374 38.175 38.460 0.148 0.000 1.194 340 Y HN 0.348 nan 8.280 nan 0.000 0.585 341 I N -0.349 120.120 120.570 -0.169 0.000 4.102 341 I HA 0.256 4.426 4.170 -0.000 0.000 0.325 341 I C 1.078 177.118 176.117 -0.129 0.000 1.471 341 I CA -0.328 60.852 61.300 -0.200 0.000 1.133 341 I CB 0.305 38.118 38.000 -0.311 0.000 1.184 341 I HN 0.228 nan 8.210 nan 0.000 0.451 342 V N -0.993 118.882 119.914 -0.066 0.000 0.588 342 V HA -0.478 3.642 4.120 -0.000 0.000 0.092 342 V C 0.975 177.020 176.094 -0.081 0.000 1.830 342 V CA 2.246 64.513 62.300 -0.054 0.000 3.401 342 V CB -1.629 30.165 31.823 -0.049 0.000 0.689 342 V HN 0.512 nan 8.190 nan 0.000 0.712 343 Q N 0.814 120.534 119.800 -0.134 0.000 2.272 343 Q HA 0.680 5.020 4.340 -0.000 0.000 0.192 343 Q C -0.091 175.778 176.000 -0.218 0.000 1.059 343 Q CA 0.127 55.832 55.803 -0.164 0.000 1.084 343 Q CB 0.699 29.316 28.738 -0.202 0.000 1.139 343 Q HN 0.706 nan 8.270 nan 0.000 0.593 344 E N -0.242 119.825 120.200 -0.222 0.000 2.340 344 E HA 0.335 4.685 4.350 -0.000 0.000 0.273 344 E C -1.210 175.245 176.600 -0.241 0.000 0.891 344 E CA -0.603 55.680 56.400 -0.196 0.000 0.757 344 E CB 1.275 30.961 29.700 -0.022 0.000 1.231 344 E HN 0.278 nan 8.360 nan 0.000 0.439 345 F N 1.429 121.368 119.950 -0.019 0.000 2.459 345 F HA 0.095 4.622 4.527 -0.000 0.000 0.346 345 F C 0.932 176.645 175.800 -0.143 0.000 1.128 345 F CA 0.087 58.006 58.000 -0.134 0.000 1.268 345 F CB 0.528 39.405 39.000 -0.205 0.000 1.161 345 F HN 0.257 nan 8.300 nan 0.000 0.583 346 E N 2.932 123.103 120.200 -0.049 0.000 2.028 346 E HA 0.161 4.510 4.350 -0.000 0.000 0.266 346 E C -1.422 175.112 176.600 -0.109 0.000 0.962 346 E CA -0.380 56.004 56.400 -0.027 0.000 0.784 346 E CB 0.409 30.100 29.700 -0.016 0.000 1.114 346 E HN 0.437 nan 8.360 nan 0.000 0.414 347 Y N 3.000 123.397 120.300 0.161 0.000 2.323 347 Y HA 0.305 4.855 4.550 -0.000 0.000 0.331 347 Y C 0.390 176.432 175.900 0.238 0.000 1.092 347 Y CA -0.413 57.782 58.100 0.159 0.000 1.150 347 Y CB 1.229 39.726 38.460 0.062 0.000 1.200 347 Y HN 0.341 nan 8.280 nan 0.000 0.472 348 K N 0.868 121.463 120.400 0.324 0.000 2.740 348 K HA 0.205 4.525 4.320 -0.000 0.000 0.279 348 K C -1.579 175.110 176.600 0.148 0.000 1.038 348 K CA -0.940 55.483 56.287 0.226 0.000 0.887 348 K CB 1.021 33.604 32.500 0.137 0.000 1.411 348 K HN 0.511 nan 8.250 nan 0.000 0.381 349 D N 1.221 121.689 120.400 0.113 0.000 2.723 349 D HA -0.165 4.475 4.640 -0.000 0.000 0.236 349 D C 0.706 177.054 176.300 0.080 0.000 1.138 349 D CA 2.006 56.052 54.000 0.076 0.000 0.676 349 D CB -1.353 39.478 40.800 0.052 0.000 1.069 349 D HN 1.312 nan 8.370 nan 0.000 0.430 350 G N 0.156 109.021 108.800 0.107 0.000 2.341 350 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.292 350 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.292 350 G C 0.273 175.224 174.900 0.085 0.000 1.021 350 G CA 1.394 46.541 45.100 0.080 0.000 0.905 350 G HN 0.585 nan 8.290 nan 0.000 0.508 351 Q N -2.408 117.467 119.800 0.125 0.000 2.943 351 Q HA 0.814 5.153 4.340 -0.000 0.000 0.328 351 Q C -1.151 174.910 176.000 0.101 0.000 0.934 351 Q CA -0.886 54.972 55.803 0.093 0.000 0.782 351 Q CB 2.644 31.409 28.738 0.045 0.000 1.470 351 Q HN 0.647 nan 8.270 nan 0.000 0.503 352 V N -0.206 119.697 119.914 -0.018 0.000 2.924 352 V HA 0.732 4.851 4.120 -0.000 0.000 0.300 352 V C -1.734 174.284 176.094 -0.126 0.000 1.227 352 V CA -0.369 61.809 62.300 -0.203 0.000 0.954 352 V CB 1.834 33.409 31.823 -0.413 0.000 1.055 352 V HN 0.896 nan 8.190 nan 0.000 0.429 353 A N 6.010 128.761 122.820 -0.115 0.000 2.322 353 A HA 0.788 5.108 4.320 -0.000 0.000 0.269 353 A C -0.418 177.147 177.584 -0.031 0.000 1.094 353 A CA -0.384 51.620 52.037 -0.054 0.000 0.807 353 A CB 0.483 19.460 19.000 -0.038 0.000 1.047 353 A HN 0.824 nan 8.150 nan 0.000 0.487 354 I N 2.470 123.030 120.570 -0.017 0.000 2.496 354 I HA 0.236 4.406 4.170 -0.000 0.000 0.285 354 I C -1.933 174.191 176.117 0.013 0.000 1.080 354 I CA -1.519 59.784 61.300 0.004 0.000 1.404 354 I CB 0.744 38.739 38.000 -0.009 0.000 1.403 354 I HN 0.380 nan 8.210 nan 0.000 0.539 355 P HA 0.078 nan 4.420 nan 0.000 0.267 355 P C -0.799 176.493 177.300 -0.012 0.000 1.209 355 P CA -0.234 62.866 63.100 0.001 0.000 0.763 355 P CB 0.383 32.088 31.700 0.008 0.000 0.816 356 Q N 1.904 121.688 119.800 -0.028 0.000 2.227 356 Q HA 0.651 4.990 4.340 -0.000 0.000 0.245 356 Q C 0.672 176.656 176.000 -0.026 0.000 0.926 356 Q CA 0.108 55.897 55.803 -0.024 0.000 0.895 356 Q CB 1.584 30.307 28.738 -0.026 0.000 1.230 356 Q HN 0.764 nan 8.270 nan 0.000 0.450 357 G N 1.778 110.567 108.800 -0.019 0.000 2.459 357 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.685 357 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.685 357 G C -2.879 172.017 174.900 -0.007 0.000 1.303 357 G CA -1.035 44.056 45.100 -0.016 0.000 0.907 357 G HN 0.451 nan 8.290 nan 0.000 0.632 358 P HA 0.396 nan 4.420 nan 0.000 0.269 358 P C 1.346 178.660 177.300 0.023 0.000 1.217 358 P CA 1.784 64.888 63.100 0.007 0.000 0.783 358 P CB 0.439 32.145 31.700 0.010 0.000 0.898 359 G N 1.322 110.142 108.800 0.034 0.000 2.566 359 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.280 359 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.280 359 G C 0.580 175.516 174.900 0.059 0.000 1.225 359 G CA 0.058 45.195 45.100 0.062 0.000 0.966 359 G HN 0.470 nan 8.290 nan 0.000 0.560 360 L N 2.478 123.746 121.223 0.075 0.000 2.622 360 L HA 0.251 4.591 4.340 -0.000 0.000 0.233 360 L C 2.609 179.505 176.870 0.043 0.000 1.156 360 L CA 2.226 57.107 54.840 0.069 0.000 0.866 360 L CB -1.628 40.486 42.059 0.091 0.000 0.980 360 L HN 2.288 nan 8.230 nan 0.000 0.448 361 G N -0.203 108.611 108.800 0.022 0.000 2.147 361 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 361 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 361 G C 0.073 174.941 174.900 -0.053 0.000 1.005 361 G CA 0.391 45.485 45.100 -0.010 0.000 0.713 361 G HN 0.256 nan 8.290 nan 0.000 0.515 362 V N 0.455 120.343 119.914 -0.043 0.000 2.789 362 V HA 0.450 4.569 4.120 -0.000 0.000 0.300 362 V C -1.476 174.587 176.094 -0.052 0.000 1.184 362 V CA -1.005 61.233 62.300 -0.104 0.000 0.930 362 V CB 1.879 33.597 31.823 -0.175 0.000 1.041 362 V HN 0.269 nan 8.190 nan 0.000 0.430 363 D N 4.515 124.877 120.400 -0.062 0.000 2.168 363 D HA 0.428 5.068 4.640 -0.000 0.000 0.246 363 D C 0.002 176.262 176.300 -0.067 0.000 1.050 363 D CA -0.163 53.823 54.000 -0.024 0.000 0.857 363 D CB 2.511 43.312 40.800 0.002 0.000 1.169 363 D HN 0.580 nan 8.370 nan 0.000 0.453 364 V N -0.006 119.850 119.914 -0.097 0.000 2.637 364 V HA 0.187 4.306 4.120 -0.000 0.000 0.296 364 V C 0.321 176.398 176.094 -0.029 0.000 1.046 364 V CA -0.294 61.928 62.300 -0.130 0.000 1.066 364 V CB 1.565 33.150 31.823 -0.397 0.000 0.968 364 V HN 0.460 nan 8.190 nan 0.000 0.483 368 K N 1.369 121.831 120.400 0.105 0.000 2.155 368 K HA 0.061 4.381 4.320 -0.000 0.000 0.203 368 K C 2.045 178.778 176.600 0.221 0.000 1.052 368 K CA 0.695 57.085 56.287 0.172 0.000 0.948 368 K CB 0.480 33.162 32.500 0.304 0.000 0.728 368 K HN -0.064 nan 8.250 nan 0.000 0.448 369 V N 2.266 122.284 119.914 0.173 0.000 2.261 369 V HA -0.302 3.817 4.120 -0.000 0.000 0.246 369 V C 1.630 177.747 176.094 0.039 0.000 1.047 369 V CA 1.951 64.287 62.300 0.059 0.000 1.015 369 V CB -0.609 31.232 31.823 0.030 0.000 0.642 369 V HN 0.402 nan 8.190 nan 0.000 0.446 370 N N -0.706 118.027 118.700 0.055 0.000 2.205 370 N HA -0.214 4.526 4.740 -0.000 0.000 0.186 370 N C 1.793 177.320 175.510 0.028 0.000 1.015 370 N CA 1.379 54.454 53.050 0.041 0.000 0.862 370 N CB -0.224 38.295 38.487 0.053 0.000 0.986 370 N HN 0.500 nan 8.380 nan 0.000 0.429 371 F N 0.605 120.462 119.950 -0.154 0.000 2.186 371 F HA -0.090 4.436 4.527 -0.000 0.000 0.299 371 F C 1.034 176.648 175.800 -0.310 0.000 1.090 371 F CA 1.113 58.940 58.000 -0.288 0.000 1.307 371 F CB -0.124 38.586 39.000 -0.484 0.000 1.019 371 F HN 0.015 nan 8.300 nan 0.000 0.489 372 Y N -0.186 120.001 120.300 -0.189 0.000 2.457 372 Y HA 0.219 4.769 4.550 -0.000 0.000 0.263 372 Y C 0.939 176.720 175.900 -0.200 0.000 1.164 372 Y CA -0.232 57.700 58.100 -0.280 0.000 1.274 372 Y CB -1.073 37.299 38.460 -0.147 0.000 1.097 372 Y HN -0.281 nan 8.280 nan 0.000 0.523 373 T N 2.935 117.461 114.554 -0.046 0.000 2.784 373 T HA 0.064 4.414 4.350 -0.000 0.000 0.291 373 T C 0.743 175.416 174.700 -0.046 0.000 0.942 373 T CA -0.309 61.769 62.100 -0.037 0.000 1.161 373 T CB 0.283 69.138 68.868 -0.021 0.000 0.885 373 T HN 0.276 nan 8.240 nan 0.000 0.534 374 R N 0.000 120.482 120.500 -0.030 0.000 2.786 374 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 374 R CA 0.000 56.082 56.100 -0.030 0.000 0.921 374 R CB 0.000 30.287 30.300 -0.022 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535