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 1vz8_1_D DATA FIRST_RESID 8 DATA SEQUENCE TPRGFVVHTA PVGLADDGRD DFTVLASTAP ATVSAVFTRS RFAGPSVVLC DATA SEQUENCE REAVADGQAR GVVVLARNAN VATGLEGEEN AREVREAVAR ALGLPEGEXL DATA SEQUENCE IASTGVIGRQ YPXESIREHL KTLEWPAGEG GFDRAARAIX TTDTRPKEVR DATA SEQUENCE VSVGGATLVG IAKGVGXLEP DXATLLTFFA TDARLDPAEQ DRLFRRVXDR DATA SEQUENCE TFNAVSIDTD TSTSDTAVLF ANGLAGEVDA GEFEEALHTA ALALVKDIAS DATA SEQUENCE DGEGAAKLIE VQVTGARDDA QAKRVGKTVV NSPLVKTAVH GCDPNWGRVA DATA SEQUENCE XAIGKCSDDT DIDQERVTIR FGEVEVYPPX XXXXXXDDAL RAAVAEHLRG DATA SEQUENCE DEVVIGIDLA IADGAFTVYG CDLTEGYVRL NSE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 T HA 0.000 nan 4.350 nan 0.000 0.228 8 T C 0.000 174.841 174.700 0.236 0.000 1.109 8 T CA 0.000 62.225 62.100 0.209 0.000 1.349 8 T CB 0.000 68.970 68.868 0.171 0.000 0.612 9 P HA 0.609 nan 4.420 nan 0.000 0.284 9 P C -0.235 177.287 177.300 0.369 0.000 1.253 9 P CA -0.088 63.245 63.100 0.388 0.000 0.800 9 P CB 0.464 32.473 31.700 0.515 0.000 0.961 10 R N 1.124 121.763 120.500 0.231 0.000 2.585 10 R HA 0.356 4.649 4.340 -0.079 0.000 0.275 10 R C 1.509 177.765 176.300 -0.074 0.000 1.018 10 R CA 0.436 56.587 56.100 0.086 0.000 1.072 10 R CB -1.792 28.536 30.300 0.047 0.000 0.953 10 R HN 0.935 nan 8.270 nan 0.000 0.419 11 G N 0.121 108.861 108.800 -0.100 0.000 2.175 11 G HA2 -0.211 3.702 3.960 -0.079 0.000 0.265 11 G HA3 -0.211 3.702 3.960 -0.079 0.000 0.265 11 G C -0.146 174.576 174.900 -0.296 0.000 0.979 11 G CA 0.625 45.589 45.100 -0.228 0.000 0.663 11 G HN 0.840 nan 8.290 nan 0.000 0.533 12 F N 1.105 121.119 119.950 0.106 0.000 2.308 12 F HA 0.560 5.040 4.527 -0.078 0.000 0.370 12 F C 0.818 176.582 175.800 -0.059 0.000 1.100 12 F CA -1.095 56.958 58.000 0.088 0.000 1.108 12 F CB 1.234 40.404 39.000 0.283 0.000 1.293 12 F HN 0.277 nan 8.300 nan 0.000 0.478 13 V N 1.676 121.669 119.914 0.131 0.000 3.134 13 V HA 0.889 4.961 4.120 -0.079 0.000 0.313 13 V C -0.412 175.591 176.094 -0.153 0.000 1.069 13 V CA -0.778 61.525 62.300 0.005 0.000 1.048 13 V CB 1.778 33.674 31.823 0.122 0.000 1.119 13 V HN 0.312 nan 8.190 nan 0.000 0.461 14 V N 1.509 121.315 119.914 -0.180 0.000 2.971 14 V HA 0.535 4.608 4.120 -0.079 0.000 0.309 14 V C -1.304 174.749 176.094 -0.068 0.000 1.130 14 V CA -0.493 61.676 62.300 -0.218 0.000 0.964 14 V CB 1.940 33.539 31.823 -0.374 0.000 1.029 14 V HN 1.273 nan 8.190 nan 0.000 0.427 15 H N 1.705 120.683 119.070 -0.152 0.000 3.013 15 H HA 0.677 5.185 4.556 -0.079 0.000 0.326 15 H C -0.544 174.756 175.328 -0.046 0.000 0.973 15 H CA -0.052 55.947 56.048 -0.082 0.000 1.369 15 H CB 1.474 31.191 29.762 -0.075 0.000 1.598 15 H HN 0.772 nan 8.280 nan 0.000 0.518 16 T N 2.502 116.746 114.554 -0.516 0.000 2.855 16 T HA 0.897 5.200 4.350 -0.079 0.000 0.281 16 T C -0.360 174.056 174.700 -0.474 0.000 1.007 16 T CA -0.467 61.385 62.100 -0.414 0.000 1.009 16 T CB 1.873 70.623 68.868 -0.198 0.000 0.983 16 T HN 0.795 nan 8.240 nan 0.000 0.455 17 A N 3.089 125.715 122.820 -0.323 0.000 2.604 17 A HA 0.796 5.069 4.320 -0.079 0.000 0.295 17 A C -3.041 174.438 177.584 -0.175 0.000 1.067 17 A CA -1.703 50.197 52.037 -0.229 0.000 0.683 17 A CB 1.652 20.506 19.000 -0.244 0.000 1.281 17 A HN 0.610 nan 8.150 nan 0.000 0.407 18 P HA 0.215 nan 4.420 nan 0.000 0.225 18 P C 0.766 177.967 177.300 -0.166 0.000 1.830 18 P CA 0.037 63.069 63.100 -0.114 0.000 1.051 18 P CB 0.635 32.295 31.700 -0.068 0.000 1.929 19 V N 2.084 121.858 119.914 -0.234 0.000 2.380 19 V HA -0.149 3.924 4.120 -0.079 0.000 0.251 19 V C 1.734 177.745 176.094 -0.139 0.000 1.063 19 V CA 2.759 64.881 62.300 -0.296 0.000 1.055 19 V CB -1.413 30.210 31.823 -0.334 0.000 0.657 19 V HN 0.773 nan 8.190 nan 0.000 0.455 20 G N -1.214 107.546 108.800 -0.067 0.000 2.288 20 G HA2 -0.193 3.720 3.960 -0.079 0.000 0.205 20 G HA3 -0.193 3.720 3.960 -0.079 0.000 0.205 20 G C 0.362 175.264 174.900 0.002 0.000 1.071 20 G CA 0.278 45.360 45.100 -0.030 0.000 0.788 20 G HN 0.383 nan 8.290 nan 0.000 0.491 21 L N -0.600 120.641 121.223 0.031 0.000 2.131 21 L HA 0.284 4.577 4.340 -0.079 0.000 0.210 21 L C 1.820 178.731 176.870 0.067 0.000 1.092 21 L CA 1.838 56.726 54.840 0.081 0.000 0.759 21 L CB 0.016 42.151 42.059 0.127 0.000 0.903 21 L HN 0.747 nan 8.230 nan 0.000 0.435 22 A N -0.771 122.073 122.820 0.040 0.000 2.522 22 A HA 0.437 4.710 4.320 -0.079 0.000 0.285 22 A C -0.084 177.509 177.584 0.015 0.000 1.198 22 A CA -0.102 51.952 52.037 0.029 0.000 0.742 22 A CB 0.077 19.092 19.000 0.026 0.000 1.176 22 A HN 0.264 nan 8.150 nan 0.000 0.444 23 D N 2.816 123.223 120.400 0.012 0.000 5.015 23 D HA 0.152 4.745 4.640 -0.079 0.000 0.263 23 D C 0.472 176.773 176.300 0.002 0.000 1.515 23 D CA 1.326 55.330 54.000 0.005 0.000 1.364 23 D CB -0.412 40.391 40.800 0.005 0.000 1.351 23 D HN 0.747 nan 8.370 nan 0.000 0.750 24 D N -1.128 119.272 120.400 -0.000 0.000 2.184 24 D HA 0.180 4.773 4.640 -0.079 0.000 0.508 24 D C 1.184 177.480 176.300 -0.006 0.000 0.947 24 D CA 0.854 54.853 54.000 -0.002 0.000 1.032 24 D CB -0.486 40.314 40.800 -0.000 0.000 1.460 24 D HN 1.460 nan 8.370 nan 0.000 0.467 25 G N 1.041 109.836 108.800 -0.009 0.000 2.370 25 G HA2 0.123 4.036 3.960 -0.079 0.000 0.295 25 G HA3 0.123 4.036 3.960 -0.079 0.000 0.295 25 G C 0.259 175.148 174.900 -0.017 0.000 1.045 25 G CA 0.943 46.033 45.100 -0.016 0.000 1.199 25 G HN 0.770 nan 8.290 nan 0.000 0.513 26 R N -0.439 120.051 120.500 -0.016 0.000 2.919 26 R HA 0.790 5.083 4.340 -0.079 0.000 0.260 26 R C -0.092 176.194 176.300 -0.023 0.000 1.067 26 R CA -0.227 55.863 56.100 -0.016 0.000 1.003 26 R CB 0.608 30.904 30.300 -0.008 0.000 1.192 26 R HN 0.240 nan 8.270 nan 0.000 0.488 27 D N 0.889 121.272 120.400 -0.028 0.000 2.367 27 D HA 0.180 4.773 4.640 -0.079 0.000 0.255 27 D C -0.288 176.000 176.300 -0.020 0.000 1.300 27 D CA 0.794 54.770 54.000 -0.040 0.000 0.959 27 D CB 1.007 41.776 40.800 -0.052 0.000 1.064 27 D HN 0.659 nan 8.370 nan 0.000 0.509 28 D N 0.585 120.987 120.400 0.002 0.000 2.489 28 D HA 0.008 4.601 4.640 -0.079 0.000 0.231 28 D C 0.129 176.463 176.300 0.056 0.000 1.114 28 D CA -0.389 53.630 54.000 0.032 0.000 0.842 28 D CB -0.280 40.552 40.800 0.053 0.000 1.133 28 D HN 0.243 nan 8.370 nan 0.000 0.506 29 F N 2.741 122.620 119.950 -0.118 0.000 2.359 29 F HA 0.405 4.885 4.527 -0.078 0.000 0.355 29 F C -0.405 175.315 175.800 -0.134 0.000 1.132 29 F CA -0.440 57.486 58.000 -0.123 0.000 1.246 29 F CB 0.213 39.094 39.000 -0.197 0.000 1.569 29 F HN -0.285 nan 8.300 nan 0.000 0.561 30 T N 2.585 116.972 114.554 -0.278 0.000 2.899 30 T HA 0.634 4.937 4.350 -0.079 0.000 0.284 30 T C -0.601 173.897 174.700 -0.336 0.000 1.004 30 T CA -0.669 61.279 62.100 -0.253 0.000 1.043 30 T CB 2.046 70.790 68.868 -0.205 0.000 1.013 30 T HN 0.129 nan 8.240 nan 0.000 0.518 31 V N 2.502 122.318 119.914 -0.162 0.000 2.610 31 V HA 0.296 4.369 4.120 -0.079 0.000 0.288 31 V C -0.701 175.303 176.094 -0.150 0.000 1.055 31 V CA -0.796 61.409 62.300 -0.158 0.000 0.902 31 V CB 1.485 33.293 31.823 -0.025 0.000 1.030 31 V HN 0.703 nan 8.190 nan 0.000 0.448 32 L N 3.876 124.962 121.223 -0.228 0.000 2.439 32 L HA 0.970 5.263 4.340 -0.079 0.000 0.259 32 L C 0.295 177.020 176.870 -0.241 0.000 1.129 32 L CA 0.389 55.096 54.840 -0.221 0.000 0.803 32 L CB 1.677 43.594 42.059 -0.237 0.000 1.161 32 L HN 0.904 nan 8.230 nan 0.000 0.462 33 A N 1.599 124.298 122.820 -0.202 0.000 2.534 33 A HA 0.475 4.748 4.320 -0.079 0.000 0.300 33 A C -1.045 176.549 177.584 0.016 0.000 1.054 33 A CA -0.336 51.582 52.037 -0.197 0.000 0.858 33 A CB 0.828 19.586 19.000 -0.404 0.000 1.333 33 A HN 0.579 nan 8.150 nan 0.000 0.391 34 S N 1.319 117.048 115.700 0.048 0.000 2.523 34 S HA 0.427 4.850 4.470 -0.079 0.000 0.275 34 S C 1.624 176.310 174.600 0.143 0.000 1.281 34 S CA 0.465 58.711 58.200 0.077 0.000 1.050 34 S CB 0.557 63.760 63.200 0.006 0.000 0.937 34 S HN 1.613 nan 8.310 nan 0.000 0.492 35 T N 2.874 117.487 114.554 0.098 0.000 2.867 35 T HA 0.196 4.499 4.350 -0.079 0.000 0.268 35 T C 0.698 175.376 174.700 -0.038 0.000 1.057 35 T CA 0.700 62.842 62.100 0.071 0.000 1.136 35 T CB -0.262 68.572 68.868 -0.057 0.000 0.874 35 T HN 0.793 nan 8.240 nan 0.000 0.466 36 A N 1.854 124.626 122.820 -0.081 0.000 2.356 36 A HA 0.755 5.028 4.320 -0.079 0.000 0.323 36 A C -2.892 174.678 177.584 -0.024 0.000 1.119 36 A CA -2.473 49.524 52.037 -0.067 0.000 0.790 36 A CB 0.982 19.924 19.000 -0.098 0.000 1.273 36 A HN 0.132 nan 8.150 nan 0.000 0.452 37 P HA 0.334 nan 4.420 nan 0.000 0.266 37 P C -0.439 176.903 177.300 0.070 0.000 1.193 37 P CA 0.563 63.694 63.100 0.052 0.000 0.770 37 P CB 0.786 32.512 31.700 0.043 0.000 0.836 38 A N 1.355 124.260 122.820 0.143 0.000 2.556 38 A HA 0.674 4.947 4.320 -0.079 0.000 0.294 38 A C -0.591 177.107 177.584 0.190 0.000 1.091 38 A CA -0.472 51.683 52.037 0.197 0.000 0.704 38 A CB 0.936 20.152 19.000 0.360 0.000 1.300 38 A HN 0.489 nan 8.150 nan 0.000 0.406 39 T N -0.333 114.303 114.554 0.137 0.000 2.794 39 T HA 0.479 4.781 4.350 -0.079 0.000 0.304 39 T C 0.011 174.729 174.700 0.030 0.000 0.973 39 T CA -0.407 61.736 62.100 0.073 0.000 0.972 39 T CB 0.289 69.173 68.868 0.026 0.000 0.952 39 T HN 1.211 nan 8.240 nan 0.000 0.509 40 V N 3.514 123.435 119.914 0.010 0.000 2.881 40 V HA 0.608 4.680 4.120 -0.079 0.000 0.303 40 V C -0.129 175.856 176.094 -0.182 0.000 1.070 40 V CA -0.006 62.193 62.300 -0.169 0.000 1.074 40 V CB 1.538 33.281 31.823 -0.134 0.000 1.012 40 V HN 1.095 nan 8.190 nan 0.000 0.482 41 S N 3.881 119.368 115.700 -0.355 0.000 2.575 41 S HA 0.899 5.322 4.470 -0.079 0.000 0.278 41 S C -0.633 173.777 174.600 -0.316 0.000 1.139 41 S CA 0.051 58.082 58.200 -0.281 0.000 0.954 41 S CB 1.642 64.593 63.200 -0.415 0.000 1.054 41 S HN 1.364 nan 8.310 nan 0.000 0.483 42 A N 1.812 124.657 122.820 0.041 0.000 2.602 42 A HA 0.954 5.227 4.320 -0.079 0.000 0.290 42 A C -1.401 176.084 177.584 -0.164 0.000 1.114 42 A CA -0.894 51.126 52.037 -0.028 0.000 0.683 42 A CB 1.255 20.156 19.000 -0.166 0.000 1.281 42 A HN 1.420 nan 8.150 nan 0.000 0.416 43 V N -2.128 117.358 119.914 -0.713 0.000 2.891 43 V HA 0.893 4.966 4.120 -0.079 0.000 0.304 43 V C -1.291 174.226 176.094 -0.961 0.000 1.171 43 V CA -0.856 61.102 62.300 -0.570 0.000 0.943 43 V CB 0.991 32.625 31.823 -0.315 0.000 1.037 43 V HN 0.902 nan 8.190 nan 0.000 0.427 44 F N 0.007 119.956 119.950 -0.002 0.000 2.620 44 F HA 0.799 5.279 4.527 -0.078 0.000 0.320 44 F C 0.773 176.568 175.800 -0.009 0.000 1.069 44 F CA -0.784 57.210 58.000 -0.009 0.000 0.953 44 F CB 1.795 40.800 39.000 0.009 0.000 1.322 44 F HN 0.742 nan 8.300 nan 0.000 0.479 45 T N 0.110 114.766 114.554 0.170 0.000 2.788 45 T HA 0.140 4.443 4.350 -0.079 0.000 0.333 45 T C 0.687 175.452 174.700 0.108 0.000 1.090 45 T CA 0.147 62.307 62.100 0.100 0.000 1.094 45 T CB 0.352 69.270 68.868 0.083 0.000 0.999 45 T HN 0.689 nan 8.240 nan 0.000 0.549 46 R N 1.472 122.016 120.500 0.073 0.000 2.662 46 R HA 0.222 4.515 4.340 -0.079 0.000 0.396 46 R C 0.292 176.626 176.300 0.056 0.000 1.096 46 R CA -0.280 55.857 56.100 0.061 0.000 1.081 46 R CB 0.483 30.811 30.300 0.046 0.000 1.382 46 R HN 0.543 nan 8.270 nan 0.000 0.580 47 S N 1.003 116.745 115.700 0.069 0.000 2.537 47 S HA 0.026 4.449 4.470 -0.079 0.000 0.286 47 S C 1.326 175.981 174.600 0.093 0.000 1.299 47 S CA -0.358 57.895 58.200 0.089 0.000 1.067 47 S CB 0.521 63.786 63.200 0.109 0.000 0.864 47 S HN 0.261 nan 8.310 nan 0.000 0.494 48 R N 3.295 123.856 120.500 0.103 0.000 2.377 48 R HA -0.024 4.269 4.340 -0.079 0.000 0.207 48 R C -0.077 176.224 176.300 0.002 0.000 1.075 48 R CA 0.855 56.986 56.100 0.051 0.000 1.035 48 R CB -0.572 29.769 30.300 0.069 0.000 0.857 48 R HN 0.716 nan 8.270 nan 0.000 0.475 49 F N -0.488 119.464 119.950 0.003 0.000 2.815 49 F HA 0.339 4.818 4.527 -0.079 0.000 0.323 49 F C 0.558 176.358 175.800 0.000 0.000 1.151 49 F CA -0.638 57.362 58.000 -0.000 0.000 1.191 49 F CB 0.446 39.446 39.000 -0.001 0.000 1.069 49 F HN -0.161 nan 8.300 nan 0.000 0.514 50 A N 0.811 123.702 122.820 0.117 0.000 2.561 50 A HA 0.409 4.682 4.320 -0.079 0.000 0.234 50 A C 0.986 178.605 177.584 0.059 0.000 1.055 50 A CA 0.674 52.759 52.037 0.080 0.000 0.756 50 A CB -0.286 18.741 19.000 0.046 0.000 0.986 50 A HN 0.411 nan 8.150 nan 0.000 0.505 51 G N 1.655 110.489 108.800 0.056 0.000 2.476 51 G HA2 0.481 4.393 3.960 -0.079 0.000 0.286 51 G HA3 0.481 4.393 3.960 -0.079 0.000 0.286 51 G C -0.961 173.948 174.900 0.014 0.000 1.177 51 G CA -0.849 44.272 45.100 0.036 0.000 0.870 51 G HN 0.520 nan 8.290 nan 0.000 0.528 52 P HA -0.175 nan 4.420 nan 0.000 0.217 52 P C 1.896 179.199 177.300 0.005 0.000 1.151 52 P CA 1.520 64.622 63.100 0.003 0.000 0.849 52 P CB 0.114 31.823 31.700 0.014 0.000 0.787 53 S N -0.170 115.547 115.700 0.029 0.000 2.392 53 S HA -0.124 4.298 4.470 -0.079 0.000 0.232 53 S C 2.102 176.700 174.600 -0.003 0.000 1.041 53 S CA 1.504 59.731 58.200 0.047 0.000 1.026 53 S CB -1.180 62.072 63.200 0.086 0.000 0.845 53 S HN 0.036 nan 8.310 nan 0.000 0.465 54 V N 1.198 121.094 119.914 -0.029 0.000 2.307 54 V HA -0.133 3.940 4.120 -0.079 0.000 0.245 54 V C 2.321 178.269 176.094 -0.244 0.000 1.045 54 V CA 1.431 63.650 62.300 -0.135 0.000 1.024 54 V CB -0.831 30.963 31.823 -0.049 0.000 0.651 54 V HN 0.358 nan 8.190 nan 0.000 0.449 55 V N 0.239 120.072 119.914 -0.134 0.000 2.282 55 V HA -0.298 3.775 4.120 -0.079 0.000 0.249 55 V C 2.362 178.374 176.094 -0.136 0.000 1.057 55 V CA 2.177 64.401 62.300 -0.127 0.000 1.032 55 V CB -0.715 31.068 31.823 -0.067 0.000 0.645 55 V HN 0.452 nan 8.190 nan 0.000 0.447 56 L N -0.916 120.252 121.223 -0.092 0.000 2.079 56 L HA -0.226 4.067 4.340 -0.079 0.000 0.210 56 L C 2.635 179.446 176.870 -0.099 0.000 1.081 56 L CA 1.562 56.366 54.840 -0.061 0.000 0.752 56 L CB -0.928 41.126 42.059 -0.009 0.000 0.896 56 L HN 0.396 nan 8.230 nan 0.000 0.433 57 C N -0.285 118.901 119.300 -0.190 0.000 2.435 57 C HA -0.101 4.312 4.460 -0.079 0.000 0.279 57 C C 2.978 177.716 174.990 -0.419 0.000 1.321 57 C CA 0.516 59.375 59.018 -0.265 0.000 1.752 57 C CB -0.875 26.659 27.740 -0.344 0.000 1.959 57 C HN 0.433 nan 8.230 nan 0.000 0.500 58 R N 0.911 121.082 120.500 -0.548 0.000 2.061 58 R HA -0.103 4.190 4.340 -0.079 0.000 0.230 58 R C 2.159 178.392 176.300 -0.112 0.000 1.140 58 R CA 1.436 57.331 56.100 -0.342 0.000 0.940 58 R CB -0.413 29.725 30.300 -0.270 0.000 0.839 58 R HN 0.616 nan 8.270 nan 0.000 0.429 59 E N 0.543 120.687 120.200 -0.094 0.000 2.171 59 E HA -0.253 4.049 4.350 -0.079 0.000 0.197 59 E C 1.911 178.508 176.600 -0.004 0.000 0.997 59 E CA 1.223 57.602 56.400 -0.034 0.000 0.810 59 E CB -0.159 29.523 29.700 -0.031 0.000 0.738 59 E HN 0.394 nan 8.360 nan 0.000 0.467 60 A N 1.423 124.239 122.820 -0.007 0.000 1.825 60 A HA -0.124 4.149 4.320 -0.079 0.000 0.214 60 A C 2.459 180.088 177.584 0.075 0.000 1.206 60 A CA 1.563 53.626 52.037 0.042 0.000 0.609 60 A CB -0.844 18.192 19.000 0.059 0.000 0.851 60 A HN 0.224 nan 8.150 nan 0.000 0.445 61 V N -2.484 117.490 119.914 0.101 0.000 3.592 61 V HA 0.334 4.407 4.120 -0.079 0.000 0.272 61 V C 2.017 178.169 176.094 0.098 0.000 1.228 61 V CA 0.925 63.298 62.300 0.122 0.000 1.173 61 V CB -1.357 30.577 31.823 0.185 0.000 0.873 61 V HN 0.536 nan 8.190 nan 0.000 0.476 62 A N 2.233 125.097 122.820 0.073 0.000 1.972 62 A HA -0.207 4.066 4.320 -0.079 0.000 0.219 62 A C 1.970 179.586 177.584 0.054 0.000 1.169 62 A CA 1.794 53.867 52.037 0.060 0.000 0.635 62 A CB -0.583 18.441 19.000 0.040 0.000 0.810 62 A HN 0.815 nan 8.150 nan 0.000 0.446 63 D N -2.003 118.429 120.400 0.054 0.000 2.349 63 D HA 0.182 4.775 4.640 -0.079 0.000 0.224 63 D C 1.241 177.571 176.300 0.050 0.000 1.029 63 D CA 0.950 54.979 54.000 0.048 0.000 0.879 63 D CB -0.367 40.462 40.800 0.048 0.000 0.906 63 D HN 0.707 nan 8.370 nan 0.000 0.528 64 G N -0.439 108.394 108.800 0.055 0.000 2.184 64 G HA2 -0.267 3.646 3.960 -0.079 0.000 0.264 64 G HA3 -0.267 3.646 3.960 -0.079 0.000 0.264 64 G C 0.371 175.304 174.900 0.056 0.000 0.975 64 G CA 0.699 45.827 45.100 0.047 0.000 0.642 64 G HN 0.916 nan 8.290 nan 0.000 0.536 65 Q N -1.079 118.766 119.800 0.075 0.000 2.365 65 Q HA 1.085 5.378 4.340 -0.079 0.000 0.269 65 Q C -0.201 175.884 176.000 0.141 0.000 1.061 65 Q CA 0.475 56.339 55.803 0.102 0.000 0.816 65 Q CB 2.165 30.953 28.738 0.084 0.000 1.325 65 Q HN 2.387 nan 8.270 nan 0.000 0.446 66 A N 0.766 123.712 122.820 0.209 0.000 2.549 66 A HA 0.750 5.023 4.320 -0.079 0.000 0.291 66 A C -0.606 177.194 177.584 0.359 0.000 1.034 66 A CA -0.328 51.878 52.037 0.281 0.000 0.655 66 A CB 0.972 20.183 19.000 0.352 0.000 1.299 66 A HN 0.715 nan 8.150 nan 0.000 0.427 67 R N -0.229 120.419 120.500 0.248 0.000 2.549 67 R HA 0.450 4.743 4.340 -0.079 0.000 0.344 67 R C 0.597 176.765 176.300 -0.220 0.000 0.979 67 R CA 0.577 56.723 56.100 0.076 0.000 1.140 67 R CB 1.477 31.830 30.300 0.089 0.000 1.377 67 R HN 1.396 nan 8.270 nan 0.000 0.541 68 G N -0.292 108.369 108.800 -0.232 0.000 2.348 68 G HA2 0.383 4.296 3.960 -0.079 0.000 0.296 68 G HA3 0.383 4.296 3.960 -0.079 0.000 0.296 68 G C -1.892 173.025 174.900 0.029 0.000 1.258 68 G CA -0.148 44.724 45.100 -0.379 0.000 0.868 68 G HN -0.012 nan 8.290 nan 0.000 0.488 69 V N -1.403 118.477 119.914 -0.057 0.000 3.108 69 V HA 0.665 4.737 4.120 -0.079 0.000 0.287 69 V C -1.613 174.393 176.094 -0.147 0.000 1.436 69 V CA -0.347 61.953 62.300 0.001 0.000 1.001 69 V CB 1.811 33.681 31.823 0.078 0.000 1.141 69 V HN 1.736 nan 8.190 nan 0.000 0.443 70 V N 6.925 126.766 119.914 -0.121 0.000 2.325 70 V HA 0.678 4.750 4.120 -0.079 0.000 0.280 70 V C -0.843 175.107 176.094 -0.239 0.000 1.016 70 V CA -0.094 62.062 62.300 -0.240 0.000 0.818 70 V CB 1.562 33.262 31.823 -0.204 0.000 1.019 70 V HN 0.816 nan 8.190 nan 0.000 0.434 71 V N 7.932 127.661 119.914 -0.308 0.000 2.427 71 V HA 0.543 4.616 4.120 -0.079 0.000 0.286 71 V C -0.447 175.510 176.094 -0.228 0.000 1.034 71 V CA -0.583 61.617 62.300 -0.167 0.000 0.893 71 V CB 1.394 33.160 31.823 -0.095 0.000 0.982 71 V HN 0.701 nan 8.190 nan 0.000 0.452 72 L N 4.837 126.036 121.223 -0.041 0.000 2.345 72 L HA 0.758 5.051 4.340 -0.079 0.000 0.274 72 L C 0.441 177.405 176.870 0.157 0.000 0.999 72 L CA -0.116 54.764 54.840 0.066 0.000 0.849 72 L CB 1.233 43.421 42.059 0.215 0.000 1.220 72 L HN 0.733 nan 8.230 nan 0.000 0.422 73 A N 2.231 125.115 122.820 0.106 0.000 2.287 73 A HA 0.810 5.083 4.320 -0.079 0.000 0.273 73 A C 0.840 178.487 177.584 0.104 0.000 1.091 73 A CA -0.192 51.901 52.037 0.094 0.000 0.817 73 A CB 0.309 19.344 19.000 0.058 0.000 1.069 73 A HN 0.770 nan 8.150 nan 0.000 0.492 74 R N -1.191 119.351 120.500 0.071 0.000 3.728 74 R HA -0.117 4.176 4.340 -0.079 0.000 0.478 74 R C -0.429 175.902 176.300 0.052 0.000 0.932 74 R CA 1.384 57.517 56.100 0.055 0.000 1.317 74 R CB -1.993 28.342 30.300 0.057 0.000 1.987 74 R HN 0.850 nan 8.270 nan 0.000 0.509 75 N N -0.965 117.769 118.700 0.056 0.000 2.752 75 N HA 0.405 5.098 4.740 -0.079 0.000 0.268 75 N C 0.098 175.566 175.510 -0.071 0.000 1.190 75 N CA 0.491 53.533 53.050 -0.013 0.000 0.897 75 N CB 1.298 39.779 38.487 -0.010 0.000 1.515 75 N HN 0.077 nan 8.380 nan 0.000 0.567 76 A N 3.019 125.797 122.820 -0.071 0.000 2.168 76 A HA -0.018 4.254 4.320 -0.079 0.000 0.215 76 A C 0.887 178.386 177.584 -0.141 0.000 1.152 76 A CA 0.836 52.837 52.037 -0.060 0.000 0.716 76 A CB -0.510 18.475 19.000 -0.024 0.000 0.794 76 A HN 0.846 nan 8.150 nan 0.000 0.465 77 N N -1.146 117.388 118.700 -0.276 0.000 2.641 77 N HA -0.145 4.548 4.740 -0.079 0.000 0.267 77 N C -1.055 174.367 175.510 -0.147 0.000 1.087 77 N CA 0.993 53.824 53.050 -0.365 0.000 0.731 77 N CB -1.602 36.512 38.487 -0.621 0.000 0.886 77 N HN 0.248 nan 8.380 nan 0.000 0.547 78 V N 0.848 120.712 119.914 -0.082 0.000 2.789 78 V HA 0.841 4.913 4.120 -0.079 0.000 0.311 78 V C 0.935 177.046 176.094 0.029 0.000 1.073 78 V CA -0.384 61.915 62.300 -0.002 0.000 0.921 78 V CB 1.472 33.310 31.823 0.025 0.000 1.009 78 V HN 0.981 nan 8.190 nan 0.000 0.426 79 A N 2.778 125.650 122.820 0.087 0.000 2.869 79 A HA -0.157 4.116 4.320 -0.079 0.000 0.280 79 A C 0.837 178.451 177.584 0.050 0.000 1.458 79 A CA 1.193 53.300 52.037 0.116 0.000 0.776 79 A CB -2.047 17.040 19.000 0.145 0.000 1.028 79 A HN 1.732 nan 8.150 nan 0.000 0.547 80 T N -2.275 112.292 114.554 0.022 0.000 3.258 80 T HA 0.553 4.856 4.350 -0.079 0.000 0.263 80 T C 1.720 176.429 174.700 0.015 0.000 0.983 80 T CA 0.960 63.063 62.100 0.005 0.000 0.907 80 T CB -0.205 68.646 68.868 -0.028 0.000 1.096 80 T HN 2.436 nan 8.240 nan 0.000 0.556 81 G N 2.026 110.838 108.800 0.020 0.000 2.586 81 G HA2 -0.278 3.635 3.960 -0.079 0.000 0.308 81 G HA3 -0.278 3.635 3.960 -0.079 0.000 0.308 81 G C 0.595 175.503 174.900 0.013 0.000 1.317 81 G CA 0.100 45.209 45.100 0.016 0.000 0.922 81 G HN 0.728 nan 8.290 nan 0.000 0.551 82 L N 0.167 121.398 121.223 0.012 0.000 2.131 82 L HA 0.040 4.333 4.340 -0.079 0.000 0.210 82 L C 2.576 179.460 176.870 0.023 0.000 1.092 82 L CA 3.019 57.867 54.840 0.013 0.000 0.759 82 L CB -0.643 41.423 42.059 0.011 0.000 0.903 82 L HN 0.847 nan 8.230 nan 0.000 0.435 83 E N -0.622 119.594 120.200 0.026 0.000 2.058 83 E HA -0.228 4.075 4.350 -0.079 0.000 0.194 83 E C 2.104 178.734 176.600 0.050 0.000 0.997 83 E CA 1.266 57.688 56.400 0.037 0.000 0.801 83 E CB -0.524 29.198 29.700 0.036 0.000 0.746 83 E HN 0.635 nan 8.360 nan 0.000 0.450 84 G N 0.581 109.404 108.800 0.039 0.000 2.440 84 G HA2 -0.320 3.593 3.960 -0.079 0.000 0.218 84 G HA3 -0.320 3.593 3.960 -0.079 0.000 0.218 84 G C 1.285 176.220 174.900 0.058 0.000 1.154 84 G CA 1.118 46.242 45.100 0.041 0.000 0.767 84 G HN 0.344 nan 8.290 nan 0.000 0.552 85 E N 0.523 120.748 120.200 0.040 0.000 2.012 85 E HA -0.128 4.174 4.350 -0.079 0.000 0.197 85 E C 2.476 179.109 176.600 0.054 0.000 1.007 85 E CA 1.352 57.776 56.400 0.039 0.000 0.816 85 E CB -0.215 29.499 29.700 0.022 0.000 0.762 85 E HN 0.545 nan 8.360 nan 0.000 0.451 86 E N 0.683 120.912 120.200 0.048 0.000 2.108 86 E HA -0.256 4.047 4.350 -0.079 0.000 0.203 86 E C 1.970 178.612 176.600 0.070 0.000 1.022 86 E CA 1.212 57.642 56.400 0.050 0.000 0.823 86 E CB -0.329 29.396 29.700 0.042 0.000 0.744 86 E HN 0.288 nan 8.360 nan 0.000 0.456 87 N N 0.662 119.422 118.700 0.099 0.000 2.120 87 N HA -0.137 4.556 4.740 -0.079 0.000 0.188 87 N C 1.864 177.472 175.510 0.164 0.000 1.024 87 N CA 1.264 54.399 53.050 0.143 0.000 0.852 87 N CB -0.216 38.408 38.487 0.228 0.000 1.003 87 N HN 0.140 nan 8.380 nan 0.000 0.424 88 A N 1.662 124.586 122.820 0.174 0.000 2.067 88 A HA -0.082 4.191 4.320 -0.079 0.000 0.219 88 A C 2.214 179.862 177.584 0.106 0.000 1.158 88 A CA 0.862 53.002 52.037 0.171 0.000 0.661 88 A CB -0.179 18.906 19.000 0.141 0.000 0.801 88 A HN 0.267 nan 8.150 nan 0.000 0.452 89 R N -0.973 119.575 120.500 0.078 0.000 2.066 89 R HA 0.048 4.341 4.340 -0.079 0.000 0.224 89 R C 2.490 178.821 176.300 0.052 0.000 1.122 89 R CA 1.162 57.295 56.100 0.056 0.000 0.974 89 R CB -0.676 29.649 30.300 0.042 0.000 0.871 89 R HN 0.582 nan 8.270 nan 0.000 0.435 90 E N 1.406 121.637 120.200 0.053 0.000 2.108 90 E HA -0.187 4.116 4.350 -0.079 0.000 0.203 90 E C 2.104 178.728 176.600 0.040 0.000 1.022 90 E CA 2.165 58.589 56.400 0.040 0.000 0.823 90 E CB -1.060 28.664 29.700 0.039 0.000 0.744 90 E HN 0.173 nan 8.360 nan 0.000 0.456 91 V N 0.668 120.614 119.914 0.054 0.000 2.244 91 V HA -0.219 3.854 4.120 -0.079 0.000 0.244 91 V C 2.662 178.797 176.094 0.068 0.000 1.042 91 V CA 1.941 64.282 62.300 0.069 0.000 1.006 91 V CB -0.521 31.346 31.823 0.072 0.000 0.641 91 V HN 0.506 nan 8.190 nan 0.000 0.446 92 R N 0.591 121.126 120.500 0.058 0.000 2.075 92 R HA -0.184 4.109 4.340 -0.079 0.000 0.230 92 R C 2.508 178.829 176.300 0.035 0.000 1.140 92 R CA 2.384 58.511 56.100 0.044 0.000 0.928 92 R CB -0.865 29.465 30.300 0.051 0.000 0.834 92 R HN 0.619 nan 8.270 nan 0.000 0.429 93 E N 0.255 120.476 120.200 0.035 0.000 2.187 93 E HA -0.208 4.095 4.350 -0.079 0.000 0.199 93 E C 1.889 178.501 176.600 0.020 0.000 1.004 93 E CA 1.927 58.343 56.400 0.027 0.000 0.813 93 E CB -0.695 29.021 29.700 0.026 0.000 0.736 93 E HN 0.652 nan 8.360 nan 0.000 0.468 94 A N 0.025 122.857 122.820 0.020 0.000 1.843 94 A HA 0.141 4.414 4.320 -0.079 0.000 0.213 94 A C 2.706 180.288 177.584 -0.002 0.000 1.202 94 A CA 1.523 53.564 52.037 0.008 0.000 0.607 94 A CB -0.617 18.388 19.000 0.009 0.000 0.847 94 A HN 0.540 nan 8.150 nan 0.000 0.445 95 V N 0.401 120.320 119.914 0.008 0.000 2.280 95 V HA -0.414 3.659 4.120 -0.079 0.000 0.258 95 V C 3.031 179.092 176.094 -0.054 0.000 1.081 95 V CA 2.552 64.839 62.300 -0.022 0.000 1.070 95 V CB -1.463 30.353 31.823 -0.012 0.000 0.666 95 V HN 0.658 nan 8.190 nan 0.000 0.450 96 A N 0.127 122.934 122.820 -0.022 0.000 1.851 96 A HA -0.206 4.067 4.320 -0.079 0.000 0.216 96 A C 2.249 179.838 177.584 0.007 0.000 1.195 96 A CA 2.360 54.393 52.037 -0.005 0.000 0.622 96 A CB -0.800 18.212 19.000 0.020 0.000 0.831 96 A HN 0.658 nan 8.150 nan 0.000 0.444 97 R N -0.401 120.104 120.500 0.008 0.000 3.457 97 R HA 0.454 4.747 4.340 -0.079 0.000 0.218 97 R C 0.959 177.259 176.300 0.001 0.000 1.833 97 R CA 1.404 57.511 56.100 0.013 0.000 1.554 97 R CB -1.782 28.523 30.300 0.008 0.000 1.143 97 R HN 1.236 nan 8.270 nan 0.000 0.557 98 A N -1.201 121.613 122.820 -0.010 0.000 2.591 98 A HA 0.381 4.654 4.320 -0.079 0.000 0.204 98 A C 1.213 178.786 177.584 -0.018 0.000 1.410 98 A CA 0.181 52.194 52.037 -0.040 0.000 1.065 98 A CB 0.695 19.630 19.000 -0.109 0.000 1.362 98 A HN 0.352 nan 8.150 nan 0.000 0.566 99 L N -1.550 119.699 121.223 0.044 0.000 3.086 99 L HA 0.362 4.655 4.340 -0.079 0.000 0.274 99 L C 1.501 178.714 176.870 0.573 0.000 1.184 99 L CA 0.573 55.606 54.840 0.322 0.000 1.002 99 L CB 0.809 42.688 42.059 -0.301 0.000 1.383 99 L HN 0.555 nan 8.230 nan 0.000 0.582 100 G N 1.183 110.134 108.800 0.251 0.000 2.179 100 G HA2 -0.279 3.634 3.960 -0.079 0.000 0.260 100 G HA3 -0.279 3.634 3.960 -0.079 0.000 0.260 100 G C 0.268 175.256 174.900 0.147 0.000 0.977 100 G CA -0.017 45.185 45.100 0.171 0.000 0.641 100 G HN 0.191 nan 8.290 nan 0.000 0.533 101 L N 2.665 123.989 121.223 0.168 0.000 2.397 101 L HA 0.368 4.661 4.340 -0.079 0.000 0.271 101 L C -1.146 175.770 176.870 0.077 0.000 1.148 101 L CA -1.704 53.211 54.840 0.126 0.000 0.825 101 L CB 0.759 42.886 42.059 0.113 0.000 1.117 101 L HN 0.037 nan 8.230 nan 0.000 0.456 102 P HA 0.042 nan 4.420 nan 0.000 0.279 102 P C 0.087 177.420 177.300 0.054 0.000 1.239 102 P CA -0.347 62.787 63.100 0.056 0.000 0.789 102 P CB 1.220 32.953 31.700 0.056 0.000 0.933 103 E N 3.385 123.612 120.200 0.045 0.000 2.048 103 E HA -0.205 4.098 4.350 -0.079 0.000 0.202 103 E C 1.870 178.503 176.600 0.054 0.000 1.021 103 E CA 2.005 58.431 56.400 0.044 0.000 0.825 103 E CB -1.034 28.688 29.700 0.036 0.000 0.756 103 E HN 0.678 nan 8.360 nan 0.000 0.454 104 G N 0.138 108.970 108.800 0.054 0.000 2.959 104 G HA2 -0.126 3.786 3.960 -0.079 0.000 0.203 104 G HA3 -0.126 3.786 3.960 -0.079 0.000 0.203 104 G C -0.044 174.908 174.900 0.086 0.000 1.176 104 G CA 0.508 45.645 45.100 0.062 0.000 0.860 104 G HN 0.330 nan 8.290 nan 0.000 0.507 108 I N 2.348 122.994 120.570 0.126 0.000 2.464 108 I HA 0.649 4.772 4.170 -0.079 0.000 0.277 108 I C -0.083 176.124 176.117 0.151 0.000 1.040 108 I CA -0.176 61.187 61.300 0.104 0.000 1.153 108 I CB 1.077 39.133 38.000 0.093 0.000 1.274 108 I HN 0.689 nan 8.210 nan 0.000 0.469 109 A N 4.929 127.859 122.820 0.184 0.000 2.310 109 A HA 0.696 4.968 4.320 -0.079 0.000 0.299 109 A C -0.374 177.321 177.584 0.184 0.000 1.147 109 A CA -0.327 51.857 52.037 0.244 0.000 0.818 109 A CB 1.172 20.438 19.000 0.444 0.000 1.096 109 A HN 0.623 nan 8.150 nan 0.000 0.495 110 S N 0.376 116.173 115.700 0.162 0.000 2.571 110 S HA 0.688 5.111 4.470 -0.079 0.000 0.284 110 S C -0.767 173.887 174.600 0.090 0.000 1.128 110 S CA -0.113 58.168 58.200 0.135 0.000 0.970 110 S CB 1.473 64.743 63.200 0.117 0.000 1.039 110 S HN 1.263 nan 8.310 nan 0.000 0.485 111 T N 2.905 117.509 114.554 0.082 0.000 2.928 111 T HA 0.788 5.091 4.350 -0.079 0.000 0.296 111 T C 0.073 174.796 174.700 0.039 0.000 1.000 111 T CA 0.547 62.679 62.100 0.053 0.000 0.989 111 T CB 0.660 69.562 68.868 0.057 0.000 1.005 111 T HN 1.277 nan 8.240 nan 0.000 0.442 112 G N 2.597 111.405 108.800 0.014 0.000 2.455 112 G HA2 0.359 4.272 3.960 -0.079 0.000 0.223 112 G HA3 0.359 4.272 3.960 -0.079 0.000 0.223 112 G C -1.158 173.734 174.900 -0.014 0.000 1.226 112 G CA -0.055 45.048 45.100 0.005 0.000 0.948 112 G HN 0.858 nan 8.290 nan 0.000 0.478 113 V N 1.416 121.318 119.914 -0.020 0.000 2.811 113 V HA 0.382 4.455 4.120 -0.079 0.000 0.302 113 V C 0.733 176.801 176.094 -0.043 0.000 1.063 113 V CA 0.064 62.347 62.300 -0.029 0.000 1.088 113 V CB 1.068 32.878 31.823 -0.022 0.000 0.982 113 V HN 0.499 nan 8.190 nan 0.000 0.485 114 I N 2.665 123.210 120.570 -0.041 0.000 2.566 114 I HA 0.523 4.646 4.170 -0.079 0.000 0.303 114 I C 1.389 177.484 176.117 -0.037 0.000 0.983 114 I CA 0.510 61.785 61.300 -0.042 0.000 1.235 114 I CB 1.269 39.239 38.000 -0.050 0.000 1.386 114 I HN 0.859 nan 8.210 nan 0.000 0.494 115 G N 2.834 111.618 108.800 -0.026 0.000 2.189 115 G HA2 -0.299 3.614 3.960 -0.079 0.000 0.267 115 G HA3 -0.299 3.614 3.960 -0.079 0.000 0.267 115 G C 0.396 175.285 174.900 -0.018 0.000 0.975 115 G CA 0.497 45.588 45.100 -0.014 0.000 0.644 115 G HN 0.917 nan 8.290 nan 0.000 0.537 116 R N 0.745 121.225 120.500 -0.034 0.000 2.265 116 R HA 0.701 4.994 4.340 -0.079 0.000 0.328 116 R C 0.608 176.883 176.300 -0.042 0.000 0.969 116 R CA -0.272 55.812 56.100 -0.026 0.000 0.832 116 R CB 0.350 30.639 30.300 -0.018 0.000 1.139 116 R HN 0.521 nan 8.270 nan 0.000 0.457 117 Q N 1.130 120.924 119.800 -0.009 0.000 2.469 117 Q HA 0.013 4.306 4.340 -0.079 0.000 0.279 117 Q C -0.486 175.550 176.000 0.060 0.000 1.097 117 Q CA 0.337 56.148 55.803 0.013 0.000 0.951 117 Q CB 0.162 28.926 28.738 0.044 0.000 1.297 117 Q HN 0.637 nan 8.270 nan 0.000 0.465 118 Y N 1.911 122.232 120.300 0.035 0.000 2.397 118 Y HA 0.113 4.615 4.550 -0.079 0.000 0.335 118 Y C -1.253 174.666 175.900 0.032 0.000 1.213 118 Y CA -1.771 56.354 58.100 0.041 0.000 1.391 118 Y CB -0.173 38.320 38.460 0.054 0.000 1.293 118 Y HN 0.512 nan 8.280 nan 0.000 0.557 122 S N 0.682 116.365 115.700 -0.028 0.000 2.563 122 S HA -0.190 4.233 4.470 -0.079 0.000 0.236 122 S C 2.070 176.620 174.600 -0.085 0.000 1.085 122 S CA 2.429 60.600 58.200 -0.048 0.000 1.341 122 S CB -0.870 62.304 63.200 -0.043 0.000 1.186 122 S HN 0.826 nan 8.310 nan 0.000 0.408 123 I N 1.824 122.314 120.570 -0.133 0.000 2.181 123 I HA -0.413 3.710 4.170 -0.079 0.000 0.240 123 I C 2.822 178.838 176.117 -0.169 0.000 1.006 123 I CA 2.393 63.557 61.300 -0.228 0.000 1.284 123 I CB -0.813 37.026 38.000 -0.268 0.000 0.990 123 I HN 0.433 nan 8.210 nan 0.000 0.408 124 R N 0.377 120.811 120.500 -0.111 0.000 2.159 124 R HA -0.307 3.986 4.340 -0.079 0.000 0.252 124 R C 2.561 178.812 176.300 -0.082 0.000 1.144 124 R CA 2.770 58.821 56.100 -0.081 0.000 0.961 124 R CB -1.154 29.115 30.300 -0.051 0.000 0.877 124 R HN 0.685 nan 8.270 nan 0.000 0.444 125 E N 0.805 120.964 120.200 -0.069 0.000 2.070 125 E HA -0.294 4.009 4.350 -0.079 0.000 0.197 125 E C 1.686 178.243 176.600 -0.073 0.000 1.004 125 E CA 2.056 58.421 56.400 -0.059 0.000 0.805 125 E CB -1.139 28.536 29.700 -0.041 0.000 0.744 125 E HN 0.689 nan 8.360 nan 0.000 0.451 126 H N -0.009 118.947 119.070 -0.190 0.000 2.421 126 H HA 0.108 4.617 4.556 -0.079 0.000 0.298 126 H C 2.333 177.537 175.328 -0.206 0.000 1.087 126 H CA 2.525 58.439 56.048 -0.223 0.000 1.330 126 H CB -0.382 29.146 29.762 -0.389 0.000 1.388 126 H HN 0.417 nan 8.280 nan 0.000 0.526 127 L N 0.335 121.436 121.223 -0.204 0.000 2.131 127 L HA -0.023 4.270 4.340 -0.079 0.000 0.210 127 L C 2.661 179.426 176.870 -0.175 0.000 1.092 127 L CA 2.587 57.320 54.840 -0.178 0.000 0.759 127 L CB -2.353 39.647 42.059 -0.098 0.000 0.903 127 L HN 0.685 nan 8.230 nan 0.000 0.435 128 K N -0.152 120.157 120.400 -0.153 0.000 2.148 128 K HA 0.063 4.336 4.320 -0.079 0.000 0.204 128 K C 1.874 178.387 176.600 -0.146 0.000 1.050 128 K CA 2.056 58.272 56.287 -0.120 0.000 0.942 128 K CB -1.684 30.764 32.500 -0.087 0.000 0.724 128 K HN 0.991 nan 8.250 nan 0.000 0.446 129 T N -0.291 114.130 114.554 -0.222 0.000 3.251 129 T HA 0.585 4.888 4.350 -0.079 0.000 0.259 129 T C 0.648 175.165 174.700 -0.304 0.000 0.998 129 T CA 0.363 62.328 62.100 -0.224 0.000 0.905 129 T CB -0.935 67.818 68.868 -0.192 0.000 1.067 129 T HN 0.723 nan 8.240 nan 0.000 0.569 130 L N 1.250 122.285 121.223 -0.314 0.000 2.363 130 L HA 0.840 5.133 4.340 -0.079 0.000 0.286 130 L C 0.378 177.105 176.870 -0.239 0.000 1.106 130 L CA -0.223 54.410 54.840 -0.344 0.000 0.859 130 L CB -1.210 40.673 42.059 -0.293 0.000 1.223 130 L HN 0.731 nan 8.230 nan 0.000 0.446 131 E N 1.595 121.661 120.200 -0.222 0.000 2.334 131 E HA 0.710 5.013 4.350 -0.079 0.000 0.256 131 E C -0.890 175.639 176.600 -0.119 0.000 0.958 131 E CA -0.925 55.422 56.400 -0.088 0.000 0.821 131 E CB 0.621 30.313 29.700 -0.013 0.000 1.269 131 E HN 0.835 nan 8.360 nan 0.000 0.413 132 W N 1.756 123.006 121.300 -0.083 0.000 2.238 132 W HA 0.410 5.023 4.660 -0.079 0.000 0.321 132 W C -1.667 174.825 176.519 -0.044 0.000 1.293 132 W CA -1.260 56.045 57.345 -0.066 0.000 1.204 132 W CB 1.053 30.482 29.460 -0.052 0.000 1.167 132 W HN 0.377 nan 8.180 nan 0.000 0.553 133 P HA 0.126 nan 4.420 nan 0.000 0.269 133 P C -0.505 176.876 177.300 0.135 0.000 1.252 133 P CA -0.044 63.122 63.100 0.110 0.000 0.780 133 P CB 0.356 32.097 31.700 0.069 0.000 0.829 134 A N 3.860 126.739 122.820 0.099 0.000 2.507 134 A HA 0.444 4.717 4.320 -0.079 0.000 0.281 134 A C 1.095 178.713 177.584 0.057 0.000 1.154 134 A CA 0.834 52.915 52.037 0.073 0.000 0.828 134 A CB -1.498 17.532 19.000 0.051 0.000 1.069 134 A HN 0.993 nan 8.150 nan 0.000 0.522 135 G N 2.443 111.277 108.800 0.057 0.000 2.650 135 G HA2 0.005 3.918 3.960 -0.079 0.000 0.686 135 G HA3 0.005 3.918 3.960 -0.079 0.000 0.686 135 G C -0.743 174.184 174.900 0.044 0.000 1.205 135 G CA -0.468 44.656 45.100 0.041 0.000 0.781 135 G HN 0.890 nan 8.290 nan 0.000 0.648 136 E N 0.048 120.271 120.200 0.038 0.000 2.283 136 E HA 0.647 4.949 4.350 -0.079 0.000 0.271 136 E C 0.786 177.393 176.600 0.011 0.000 1.031 136 E CA 0.181 56.604 56.400 0.039 0.000 0.868 136 E CB 1.654 31.389 29.700 0.057 0.000 1.094 136 E HN 2.168 nan 8.360 nan 0.000 0.401 137 G N -0.009 108.762 108.800 -0.048 0.000 2.566 137 G HA2 0.185 4.098 3.960 -0.079 0.000 0.599 137 G HA3 0.185 4.098 3.960 -0.079 0.000 0.599 137 G C 0.353 175.124 174.900 -0.214 0.000 1.292 137 G CA -0.122 44.915 45.100 -0.105 0.000 0.922 137 G HN 1.202 nan 8.290 nan 0.000 0.514 138 G N -2.567 106.135 108.800 -0.164 0.000 2.181 138 G HA2 0.096 4.009 3.960 -0.079 0.000 0.152 138 G HA3 0.096 4.009 3.960 -0.079 0.000 0.152 138 G C 0.542 175.345 174.900 -0.162 0.000 1.026 138 G CA 0.630 45.648 45.100 -0.137 0.000 0.699 138 G HN 1.448 nan 8.290 nan 0.000 0.497 139 F N 0.721 120.667 119.950 -0.005 0.000 2.802 139 F HA 0.210 4.690 4.527 -0.078 0.000 0.300 139 F C 2.331 178.114 175.800 -0.029 0.000 1.168 139 F CA 1.575 59.558 58.000 -0.029 0.000 1.433 139 F CB -0.135 38.846 39.000 -0.032 0.000 1.115 139 F HN 0.403 nan 8.300 nan 0.000 0.582 140 D N 0.595 121.071 120.400 0.126 0.000 2.201 140 D HA -0.066 4.527 4.640 -0.079 0.000 0.209 140 D C 2.130 178.451 176.300 0.035 0.000 0.961 140 D CA 0.920 54.964 54.000 0.072 0.000 0.861 140 D CB -0.575 40.257 40.800 0.053 0.000 0.997 140 D HN 0.393 nan 8.370 nan 0.000 0.486 141 R N -0.177 120.327 120.500 0.008 0.000 2.193 141 R HA 0.397 4.690 4.340 -0.079 0.000 0.213 141 R C 2.457 178.739 176.300 -0.030 0.000 1.055 141 R CA 1.159 57.248 56.100 -0.018 0.000 0.995 141 R CB -0.108 30.169 30.300 -0.037 0.000 0.893 141 R HN 0.314 nan 8.270 nan 0.000 0.459 142 A N 2.199 125.007 122.820 -0.020 0.000 1.840 142 A HA 0.092 4.365 4.320 -0.079 0.000 0.214 142 A C 2.534 180.121 177.584 0.006 0.000 1.198 142 A CA 1.232 53.253 52.037 -0.027 0.000 0.608 142 A CB -0.910 18.090 19.000 0.000 0.000 0.839 142 A HN 0.446 nan 8.150 nan 0.000 0.443 143 A N -0.823 122.024 122.820 0.046 0.000 2.204 143 A HA -0.067 4.206 4.320 -0.079 0.000 0.220 143 A C 2.279 179.878 177.584 0.024 0.000 1.165 143 A CA 2.729 54.791 52.037 0.041 0.000 0.671 143 A CB -0.813 18.211 19.000 0.039 0.000 0.792 143 A HN 0.775 nan 8.150 nan 0.000 0.473 144 R N -1.428 119.078 120.500 0.010 0.000 2.103 144 R HA 0.531 4.824 4.340 -0.079 0.000 0.212 144 R C 2.442 178.739 176.300 -0.005 0.000 1.107 144 R CA 1.367 57.468 56.100 0.003 0.000 1.025 144 R CB -1.504 28.794 30.300 -0.003 0.000 0.929 144 R HN 0.923 nan 8.270 nan 0.000 0.456 145 A N 1.118 123.925 122.820 -0.022 0.000 2.234 145 A HA 0.195 4.468 4.320 -0.079 0.000 0.216 145 A C 1.324 178.898 177.584 -0.016 0.000 1.167 145 A CA 1.255 53.272 52.037 -0.033 0.000 0.698 145 A CB -0.998 17.959 19.000 -0.073 0.000 0.779 145 A HN 0.834 nan 8.150 nan 0.000 0.475 149 T N -0.024 114.529 114.554 -0.001 0.000 3.407 149 T HA 0.343 4.646 4.350 -0.079 0.000 0.308 149 T C -0.995 173.703 174.700 -0.004 0.000 0.919 149 T CA -0.254 61.839 62.100 -0.012 0.000 0.960 149 T CB -0.056 68.795 68.868 -0.029 0.000 1.193 149 T HN 0.247 nan 8.240 nan 0.000 0.568 150 D N 2.582 122.986 120.400 0.005 0.000 2.339 150 D HA 0.394 4.987 4.640 -0.079 0.000 0.245 150 D C 1.183 177.487 176.300 0.008 0.000 1.115 150 D CA 0.052 54.058 54.000 0.011 0.000 0.917 150 D CB 1.279 42.089 40.800 0.016 0.000 1.192 150 D HN 0.327 nan 8.370 nan 0.000 0.428 151 T N -1.842 112.718 114.554 0.009 0.000 3.174 151 T HA 0.267 4.570 4.350 -0.079 0.000 0.269 151 T C 0.027 174.732 174.700 0.009 0.000 1.017 151 T CA -0.781 61.324 62.100 0.008 0.000 0.899 151 T CB -0.436 68.437 68.868 0.008 0.000 1.077 151 T HN 0.622 nan 8.240 nan 0.000 0.552 152 R N -0.538 119.968 120.500 0.010 0.000 4.167 152 R HA 0.342 4.635 4.340 -0.079 0.000 0.253 152 R C -3.449 172.857 176.300 0.011 0.000 1.057 152 R CA -1.407 54.698 56.100 0.009 0.000 1.305 152 R CB -0.645 29.661 30.300 0.009 0.000 1.245 152 R HN -0.036 nan 8.270 nan 0.000 0.550 153 P HA -0.008 nan 4.420 nan 0.000 0.267 153 P C -1.086 176.219 177.300 0.009 0.000 1.201 153 P CA -0.044 63.063 63.100 0.012 0.000 0.775 153 P CB 0.736 32.443 31.700 0.012 0.000 0.854 154 K N 1.807 122.212 120.400 0.008 0.000 2.507 154 K HA 0.352 4.625 4.320 -0.079 0.000 0.253 154 K C 0.036 176.624 176.600 -0.020 0.000 0.969 154 K CA -0.490 55.796 56.287 -0.002 0.000 0.908 154 K CB 1.884 34.389 32.500 0.008 0.000 1.127 154 K HN 0.480 nan 8.250 nan 0.000 0.437 155 E N 2.541 122.727 120.200 -0.024 0.000 2.378 155 E HA 0.653 4.956 4.350 -0.079 0.000 0.265 155 E C -1.653 174.913 176.600 -0.057 0.000 0.932 155 E CA -1.063 55.311 56.400 -0.044 0.000 0.795 155 E CB 2.406 32.107 29.700 0.001 0.000 1.296 155 E HN 0.218 nan 8.360 nan 0.000 0.438 156 V N -0.436 119.428 119.914 -0.084 0.000 3.278 156 V HA 0.797 4.870 4.120 -0.079 0.000 0.288 156 V C -1.962 174.087 176.094 -0.074 0.000 1.514 156 V CA 0.205 62.467 62.300 -0.063 0.000 1.051 156 V CB 2.002 33.791 31.823 -0.056 0.000 1.163 156 V HN 0.971 nan 8.190 nan 0.000 0.458 157 R N 2.700 123.180 120.500 -0.032 0.000 2.542 157 R HA 0.802 5.094 4.340 -0.079 0.000 0.284 157 R C -2.037 174.266 176.300 0.006 0.000 1.167 157 R CA 0.236 56.325 56.100 -0.018 0.000 1.000 157 R CB 1.119 31.425 30.300 0.009 0.000 1.229 157 R HN 1.302 nan 8.270 nan 0.000 0.416 158 V N 1.090 121.011 119.914 0.011 0.000 2.715 158 V HA 0.932 5.005 4.120 -0.079 0.000 0.310 158 V C 0.761 176.876 176.094 0.035 0.000 1.054 158 V CA -0.253 62.056 62.300 0.014 0.000 0.928 158 V CB 1.963 33.781 31.823 -0.009 0.000 1.007 158 V HN 1.240 nan 8.190 nan 0.000 0.437 159 S N 2.508 118.230 115.700 0.037 0.000 2.442 159 S HA 0.803 5.225 4.470 -0.079 0.000 0.297 159 S C -0.700 173.934 174.600 0.056 0.000 1.131 159 S CA -0.518 57.715 58.200 0.054 0.000 1.092 159 S CB 1.036 64.265 63.200 0.047 0.000 0.998 159 S HN 0.545 nan 8.310 nan 0.000 0.478 160 V N 1.694 121.661 119.914 0.087 0.000 2.711 160 V HA 0.652 4.724 4.120 -0.079 0.000 0.304 160 V C 1.067 177.236 176.094 0.124 0.000 1.097 160 V CA 0.126 62.488 62.300 0.104 0.000 0.906 160 V CB 1.131 33.034 31.823 0.132 0.000 1.015 160 V HN 1.741 nan 8.190 nan 0.000 0.427 161 G N 2.923 111.781 108.800 0.096 0.000 2.320 161 G HA2 -0.020 3.893 3.960 -0.079 0.000 0.291 161 G HA3 -0.020 3.893 3.960 -0.079 0.000 0.291 161 G C 1.307 176.253 174.900 0.077 0.000 0.994 161 G CA 1.541 46.691 45.100 0.084 0.000 0.760 161 G HN 2.544 nan 8.290 nan 0.000 0.514 162 G N -2.648 106.200 108.800 0.081 0.000 2.176 162 G HA2 0.262 4.175 3.960 -0.079 0.000 0.232 162 G HA3 0.262 4.175 3.960 -0.079 0.000 0.232 162 G C 0.467 175.422 174.900 0.092 0.000 0.986 162 G CA 1.070 46.214 45.100 0.074 0.000 0.643 162 G HN 2.201 nan 8.290 nan 0.000 0.522 163 A N -0.046 122.848 122.820 0.123 0.000 2.324 163 A HA 0.825 5.098 4.320 -0.079 0.000 0.330 163 A C 0.183 177.873 177.584 0.176 0.000 1.165 163 A CA 0.324 52.455 52.037 0.157 0.000 0.813 163 A CB 1.178 20.291 19.000 0.189 0.000 1.197 163 A HN 0.613 nan 8.150 nan 0.000 0.484 164 T N 2.678 117.347 114.554 0.191 0.000 2.743 164 T HA 0.434 4.737 4.350 -0.079 0.000 0.292 164 T C -0.464 174.353 174.700 0.196 0.000 0.972 164 T CA -0.009 62.197 62.100 0.177 0.000 0.967 164 T CB 0.233 69.204 68.868 0.173 0.000 0.926 164 T HN 0.495 nan 8.240 nan 0.000 0.459 165 L N 5.489 126.795 121.223 0.139 0.000 2.325 165 L HA 0.836 5.129 4.340 -0.079 0.000 0.279 165 L C -0.713 176.151 176.870 -0.009 0.000 1.054 165 L CA -0.336 54.564 54.840 0.100 0.000 0.804 165 L CB 1.404 43.492 42.059 0.049 0.000 1.200 165 L HN 0.420 nan 8.230 nan 0.000 0.436 166 V N 3.045 122.880 119.914 -0.133 0.000 3.049 166 V HA 0.928 5.001 4.120 -0.079 0.000 0.309 166 V C -0.403 175.444 176.094 -0.412 0.000 1.148 166 V CA -0.033 62.063 62.300 -0.339 0.000 0.990 166 V CB 2.265 33.654 31.823 -0.723 0.000 1.039 166 V HN 0.932 nan 8.190 nan 0.000 0.430 167 G N 4.090 112.613 108.800 -0.461 0.000 2.741 167 G HA2 0.668 4.581 3.960 -0.079 0.000 0.293 167 G HA3 0.668 4.581 3.960 -0.079 0.000 0.293 167 G C -1.520 173.071 174.900 -0.515 0.000 1.457 167 G CA -0.470 44.169 45.100 -0.769 0.000 1.098 167 G HN 1.084 nan 8.290 nan 0.000 0.536 168 I N 0.294 120.614 120.570 -0.417 0.000 2.439 168 I HA 0.859 4.981 4.170 -0.079 0.000 0.283 168 I C 0.005 176.070 176.117 -0.087 0.000 1.023 168 I CA -1.117 60.092 61.300 -0.152 0.000 1.100 168 I CB 1.991 39.991 38.000 0.001 0.000 1.238 168 I HN 0.579 nan 8.210 nan 0.000 0.445 169 A N 5.933 128.711 122.820 -0.069 0.000 2.355 169 A HA 0.866 5.139 4.320 -0.079 0.000 0.324 169 A C -0.782 176.809 177.584 0.013 0.000 1.117 169 A CA -0.707 51.306 52.037 -0.040 0.000 0.785 169 A CB 1.589 20.611 19.000 0.037 0.000 1.254 169 A HN 0.743 nan 8.150 nan 0.000 0.453 170 K N 1.373 121.775 120.400 0.004 0.000 2.427 170 K HA 0.682 4.955 4.320 -0.079 0.000 0.252 170 K C -0.783 175.825 176.600 0.014 0.000 0.931 170 K CA 0.158 56.460 56.287 0.025 0.000 0.793 170 K CB 1.788 34.316 32.500 0.048 0.000 1.211 170 K HN 1.958 nan 8.250 nan 0.000 0.426 171 G N 1.577 110.394 108.800 0.029 0.000 2.177 171 G HA2 0.170 4.083 3.960 -0.079 0.000 0.202 171 G HA3 0.170 4.083 3.960 -0.079 0.000 0.202 171 G C -0.512 174.417 174.900 0.048 0.000 1.581 171 G CA -0.132 44.987 45.100 0.032 0.000 0.983 171 G HN 0.915 nan 8.290 nan 0.000 0.689 172 V N -0.267 119.673 119.914 0.043 0.000 3.432 172 V HA 0.801 4.874 4.120 -0.079 0.000 0.290 172 V C 0.713 176.844 176.094 0.063 0.000 1.591 172 V CA 1.184 63.516 62.300 0.054 0.000 1.069 172 V CB 0.466 32.314 31.823 0.041 0.000 0.892 172 V HN 1.948 nan 8.190 nan 0.000 0.436 176 E N 6.105 126.338 120.200 0.055 0.000 2.705 176 E HA 0.280 4.583 4.350 -0.079 0.000 0.373 176 E C -2.794 173.832 176.600 0.043 0.000 1.071 176 E CA -0.805 55.626 56.400 0.051 0.000 0.790 176 E CB 0.966 30.686 29.700 0.033 0.000 1.478 176 E HN 0.274 nan 8.360 nan 0.000 0.391 177 P HA 0.147 nan 4.420 nan 0.000 0.266 177 P C -0.514 176.800 177.300 0.024 0.000 1.193 177 P CA 0.390 63.511 63.100 0.036 0.000 0.770 177 P CB 0.979 32.706 31.700 0.046 0.000 0.836 181 T N 2.345 116.909 114.554 0.017 0.000 2.806 181 T HA 0.527 4.830 4.350 -0.079 0.000 0.290 181 T C -0.382 174.320 174.700 0.003 0.000 0.966 181 T CA -0.103 62.005 62.100 0.014 0.000 1.060 181 T CB 1.494 70.372 68.868 0.017 0.000 0.927 181 T HN 0.442 nan 8.240 nan 0.000 0.485 182 L N 5.511 126.723 121.223 -0.018 0.000 2.296 182 L HA 0.619 4.912 4.340 -0.079 0.000 0.286 182 L C -1.472 175.315 176.870 -0.139 0.000 1.023 182 L CA -0.682 54.121 54.840 -0.062 0.000 0.812 182 L CB 0.643 42.665 42.059 -0.061 0.000 1.223 182 L HN 0.650 nan 8.230 nan 0.000 0.421 183 L N 4.906 126.025 121.223 -0.175 0.000 2.406 183 L HA 0.478 4.771 4.340 -0.079 0.000 0.272 183 L C -0.438 176.153 176.870 -0.465 0.000 0.980 183 L CA -0.243 54.410 54.840 -0.313 0.000 0.831 183 L CB 2.157 44.181 42.059 -0.058 0.000 1.253 183 L HN 0.646 nan 8.230 nan 0.000 0.406 184 T N 3.036 117.080 114.554 -0.851 0.000 2.952 184 T HA 0.754 5.057 4.350 -0.079 0.000 0.305 184 T C -1.432 172.791 174.700 -0.796 0.000 1.064 184 T CA -0.241 61.452 62.100 -0.679 0.000 1.008 184 T CB 0.817 69.238 68.868 -0.745 0.000 1.078 184 T HN 0.269 nan 8.240 nan 0.000 0.459 185 F N 3.697 123.586 119.950 -0.101 0.000 2.581 185 F HA 0.747 5.228 4.527 -0.078 0.000 0.311 185 F C -0.912 174.839 175.800 -0.081 0.000 1.113 185 F CA -1.087 56.944 58.000 0.051 0.000 0.935 185 F CB 1.540 40.599 39.000 0.098 0.000 1.232 185 F HN 0.394 nan 8.300 nan 0.000 0.445 186 F N 1.558 121.566 119.950 0.098 0.000 2.538 186 F HA 0.822 5.302 4.527 -0.079 0.000 0.325 186 F C -0.086 175.660 175.800 -0.090 0.000 1.066 186 F CA -1.306 56.670 58.000 -0.040 0.000 0.946 186 F CB 2.130 41.117 39.000 -0.021 0.000 1.199 186 F HN 0.546 nan 8.300 nan 0.000 0.473 187 A N 1.400 124.116 122.820 -0.174 0.000 2.353 187 A HA 0.668 4.941 4.320 -0.079 0.000 0.299 187 A C -0.729 176.727 177.584 -0.214 0.000 1.089 187 A CA -0.563 51.147 52.037 -0.545 0.000 0.736 187 A CB 1.395 19.656 19.000 -1.232 0.000 1.195 187 A HN 0.694 nan 8.150 nan 0.000 0.447 188 T N 0.260 114.952 114.554 0.231 0.000 2.906 188 T HA 0.519 4.822 4.350 -0.079 0.000 0.295 188 T C -0.206 174.899 174.700 0.674 0.000 1.061 188 T CA -0.003 62.375 62.100 0.463 0.000 1.000 188 T CB 1.311 70.491 68.868 0.520 0.000 1.103 188 T HN 0.647 nan 8.240 nan 0.000 0.486 189 D N 1.669 122.342 120.400 0.455 0.000 2.363 189 D HA 0.404 4.997 4.640 -0.079 0.000 0.214 189 D C 0.751 177.138 176.300 0.144 0.000 1.093 189 D CA -0.344 53.812 54.000 0.261 0.000 0.837 189 D CB 0.127 41.036 40.800 0.181 0.000 0.948 189 D HN 0.602 nan 8.370 nan 0.000 0.507 190 A N 0.379 123.283 122.820 0.140 0.000 2.407 190 A HA 0.610 4.883 4.320 -0.079 0.000 0.248 190 A C 0.797 178.351 177.584 -0.049 0.000 1.082 190 A CA -0.258 51.791 52.037 0.021 0.000 0.785 190 A CB 0.111 19.076 19.000 -0.059 0.000 1.020 190 A HN 0.430 nan 8.150 nan 0.000 0.489 191 R N 1.645 122.112 120.500 -0.056 0.000 2.196 191 R HA 0.609 4.901 4.340 -0.079 0.000 0.340 191 R C -0.835 175.399 176.300 -0.111 0.000 1.043 191 R CA -0.058 56.007 56.100 -0.058 0.000 0.883 191 R CB -0.383 29.899 30.300 -0.031 0.000 1.078 191 R HN 0.717 nan 8.270 nan 0.000 0.462 192 L N 1.781 122.926 121.223 -0.131 0.000 2.381 192 L HA 0.345 4.637 4.340 -0.079 0.000 0.268 192 L C -0.469 176.348 176.870 -0.089 0.000 0.997 192 L CA -1.367 53.374 54.840 -0.164 0.000 0.818 192 L CB 2.520 44.391 42.059 -0.313 0.000 1.310 192 L HN 0.805 nan 8.230 nan 0.000 0.416 193 D N 4.209 124.569 120.400 -0.066 0.000 2.426 193 D HA 0.033 4.626 4.640 -0.079 0.000 0.261 193 D C -1.715 174.571 176.300 -0.024 0.000 1.245 193 D CA -0.901 53.079 54.000 -0.032 0.000 0.917 193 D CB 1.157 41.945 40.800 -0.019 0.000 1.123 193 D HN 0.159 nan 8.370 nan 0.000 0.508 194 P HA -0.334 nan 4.420 nan 0.000 0.212 194 P C 0.973 178.277 177.300 0.007 0.000 1.128 194 P CA 2.699 65.798 63.100 -0.001 0.000 0.961 194 P CB -0.071 31.634 31.700 0.009 0.000 0.782 195 A N -0.537 122.291 122.820 0.013 0.000 1.849 195 A HA -0.325 3.948 4.320 -0.079 0.000 0.216 195 A C 2.437 180.036 177.584 0.025 0.000 1.225 195 A CA 3.474 55.524 52.037 0.022 0.000 0.653 195 A CB -1.905 17.107 19.000 0.019 0.000 0.844 195 A HN 0.269 nan 8.150 nan 0.000 0.453 196 E N -0.700 119.512 120.200 0.019 0.000 2.324 196 E HA -0.354 3.949 4.350 -0.079 0.000 0.205 196 E C 1.982 178.603 176.600 0.036 0.000 1.031 196 E CA 2.208 58.623 56.400 0.024 0.000 0.836 196 E CB -0.945 28.763 29.700 0.013 0.000 0.742 196 E HN 0.854 nan 8.360 nan 0.000 0.491 197 Q N -0.263 119.551 119.800 0.022 0.000 2.123 197 Q HA -0.168 4.124 4.340 -0.079 0.000 0.199 197 Q C 1.562 177.620 176.000 0.095 0.000 0.966 197 Q CA 1.558 57.381 55.803 0.033 0.000 0.845 197 Q CB 0.055 28.781 28.738 -0.020 0.000 0.907 197 Q HN 0.630 nan 8.270 nan 0.000 0.439 198 D N 0.416 120.868 120.400 0.087 0.000 2.091 198 D HA -0.128 4.465 4.640 -0.079 0.000 0.199 198 D C 1.922 178.294 176.300 0.121 0.000 0.980 198 D CA 0.939 55.020 54.000 0.135 0.000 0.831 198 D CB -0.290 40.569 40.800 0.099 0.000 0.987 198 D HN 0.267 nan 8.370 nan 0.000 0.460 199 R N 0.405 120.952 120.500 0.079 0.000 2.185 199 R HA -0.135 4.157 4.340 -0.079 0.000 0.247 199 R C 2.385 178.726 176.300 0.069 0.000 1.159 199 R CA 0.594 56.730 56.100 0.060 0.000 0.988 199 R CB -0.363 29.966 30.300 0.048 0.000 0.871 199 R HN 0.244 nan 8.270 nan 0.000 0.458 200 L N -0.574 120.711 121.223 0.103 0.000 2.062 200 L HA -0.089 4.204 4.340 -0.079 0.000 0.202 200 L C 2.188 179.142 176.870 0.140 0.000 1.079 200 L CA 0.888 55.803 54.840 0.125 0.000 0.755 200 L CB -0.349 41.815 42.059 0.175 0.000 0.913 200 L HN 0.014 nan 8.230 nan 0.000 0.445 201 F N 1.280 121.228 119.950 -0.003 0.000 2.087 201 F HA -0.340 4.140 4.527 -0.078 0.000 0.299 201 F C 2.835 178.598 175.800 -0.062 0.000 1.100 201 F CA 2.428 60.392 58.000 -0.059 0.000 1.226 201 F CB -1.013 37.945 39.000 -0.071 0.000 0.983 201 F HN 0.067 nan 8.300 nan 0.000 0.479 202 R N 0.633 121.089 120.500 -0.074 0.000 2.083 202 R HA -0.149 4.144 4.340 -0.079 0.000 0.237 202 R C 2.398 178.608 176.300 -0.150 0.000 1.137 202 R CA 1.949 57.946 56.100 -0.171 0.000 0.951 202 R CB -1.558 28.715 30.300 -0.046 0.000 0.851 202 R HN 0.460 nan 8.270 nan 0.000 0.434 203 R N -0.273 120.189 120.500 -0.064 0.000 2.096 203 R HA -0.004 4.288 4.340 -0.079 0.000 0.235 203 R C 1.217 177.468 176.300 -0.082 0.000 1.127 203 R CA 1.157 57.233 56.100 -0.039 0.000 0.968 203 R CB -0.635 29.671 30.300 0.009 0.000 0.861 203 R HN 0.381 nan 8.270 nan 0.000 0.440 207 R N 1.007 121.501 120.500 -0.011 0.000 2.300 207 R HA 0.180 4.473 4.340 -0.079 0.000 0.199 207 R C 1.611 177.786 176.300 -0.209 0.000 0.920 207 R CA 1.266 57.282 56.100 -0.140 0.000 1.046 207 R CB 0.725 30.882 30.300 -0.240 0.000 0.984 207 R HN 0.419 nan 8.270 nan 0.000 0.493 208 T N -2.546 111.881 114.554 -0.211 0.000 3.556 208 T HA 0.099 4.402 4.350 -0.079 0.000 0.204 208 T C 1.682 176.259 174.700 -0.205 0.000 0.896 208 T CA -0.025 61.888 62.100 -0.311 0.000 1.380 208 T CB -0.639 67.883 68.868 -0.576 0.000 1.584 208 T HN -0.075 nan 8.240 nan 0.000 0.411 209 F N 2.625 122.552 119.950 -0.038 0.000 2.146 209 F HA 0.218 4.699 4.527 -0.077 0.000 0.298 209 F C 2.328 178.130 175.800 0.004 0.000 1.096 209 F CA 0.699 58.691 58.000 -0.013 0.000 1.275 209 F CB -0.808 38.163 39.000 -0.049 0.000 1.008 209 F HN 0.195 nan 8.300 nan 0.000 0.480 210 N N 0.094 118.891 118.700 0.163 0.000 2.567 210 N HA 0.035 4.727 4.740 -0.079 0.000 0.195 210 N C 1.192 176.778 175.510 0.127 0.000 1.242 210 N CA 0.773 53.883 53.050 0.100 0.000 0.884 210 N CB 0.037 38.552 38.487 0.047 0.000 1.007 210 N HN 0.278 nan 8.380 nan 0.000 0.450 211 A N -0.847 122.075 122.820 0.170 0.000 2.508 211 A HA 0.196 4.468 4.320 -0.079 0.000 0.250 211 A C 0.495 178.185 177.584 0.178 0.000 1.208 211 A CA -0.151 52.022 52.037 0.226 0.000 0.960 211 A CB 0.767 19.951 19.000 0.306 0.000 1.099 211 A HN 0.057 nan 8.150 nan 0.000 0.542 212 V N 0.042 120.066 119.914 0.182 0.000 2.612 212 V HA 0.740 4.812 4.120 -0.079 0.000 0.301 212 V C -0.507 175.664 176.094 0.129 0.000 1.046 212 V CA -0.110 62.308 62.300 0.196 0.000 0.946 212 V CB 1.866 33.813 31.823 0.206 0.000 1.003 212 V HN 0.267 nan 8.190 nan 0.000 0.459 213 S N 5.517 121.282 115.700 0.108 0.000 2.689 213 S HA 0.474 4.897 4.470 -0.079 0.000 0.274 213 S C 0.076 174.713 174.600 0.062 0.000 1.176 213 S CA -0.694 57.549 58.200 0.072 0.000 1.014 213 S CB 1.018 64.243 63.200 0.041 0.000 1.071 213 S HN 0.544 nan 8.310 nan 0.000 0.478 214 I N 3.381 123.990 120.570 0.066 0.000 2.594 214 I HA 0.161 4.284 4.170 -0.079 0.000 0.237 214 I C 1.487 177.614 176.117 0.016 0.000 1.071 214 I CA 1.105 62.442 61.300 0.062 0.000 1.427 214 I CB -0.912 37.152 38.000 0.107 0.000 1.218 214 I HN 0.787 nan 8.210 nan 0.000 0.444 215 D N -0.781 119.643 120.400 0.040 0.000 2.479 215 D HA 0.015 4.608 4.640 -0.079 0.000 0.218 215 D C 0.912 177.210 176.300 -0.004 0.000 1.177 215 D CA 0.952 54.942 54.000 -0.015 0.000 0.830 215 D CB -0.217 40.642 40.800 0.097 0.000 1.014 215 D HN 0.394 nan 8.370 nan 0.000 0.503 216 T N -2.978 111.582 114.554 0.009 0.000 6.387 216 T HA -0.260 4.043 4.350 -0.079 0.000 0.290 216 T C -0.477 174.232 174.700 0.015 0.000 1.901 216 T CA 1.049 63.152 62.100 0.006 0.000 3.035 216 T CB -2.397 66.464 68.868 -0.011 0.000 1.917 216 T HN 0.273 nan 8.240 nan 0.000 1.121 217 D N 2.343 122.762 120.400 0.031 0.000 2.500 217 D HA 0.316 4.909 4.640 -0.079 0.000 0.219 217 D C 0.211 176.528 176.300 0.029 0.000 1.137 217 D CA 0.001 54.018 54.000 0.030 0.000 0.946 217 D CB 1.124 41.950 40.800 0.042 0.000 1.022 217 D HN 0.460 nan 8.370 nan 0.000 0.518 218 T N 1.385 115.953 114.554 0.024 0.000 2.831 218 T HA -0.027 4.276 4.350 -0.079 0.000 0.291 218 T C 0.840 175.556 174.700 0.027 0.000 0.981 218 T CA 0.424 62.540 62.100 0.026 0.000 1.174 218 T CB 0.583 69.466 68.868 0.025 0.000 0.929 218 T HN 0.119 nan 8.240 nan 0.000 0.532 219 S N 2.063 117.780 115.700 0.029 0.000 2.584 219 S HA 0.125 4.548 4.470 -0.079 0.000 0.270 219 S C 1.583 176.209 174.600 0.044 0.000 1.346 219 S CA -0.200 58.018 58.200 0.029 0.000 1.018 219 S CB 0.417 63.633 63.200 0.025 0.000 0.899 219 S HN 0.862 nan 8.310 nan 0.000 0.542 220 T N 0.007 114.589 114.554 0.047 0.000 3.122 220 T HA 0.271 4.574 4.350 -0.079 0.000 0.250 220 T C 0.505 175.247 174.700 0.070 0.000 1.067 220 T CA -0.015 62.130 62.100 0.075 0.000 0.966 220 T CB 0.036 68.957 68.868 0.089 0.000 1.002 220 T HN 0.352 nan 8.240 nan 0.000 0.542 221 S N 0.887 116.622 115.700 0.058 0.000 3.082 221 S HA 0.192 4.615 4.470 -0.079 0.000 0.253 221 S C -0.624 174.016 174.600 0.067 0.000 0.961 221 S CA -0.678 57.561 58.200 0.066 0.000 1.129 221 S CB 0.291 63.522 63.200 0.051 0.000 1.083 221 S HN 0.432 nan 8.310 nan 0.000 0.605 222 D N 3.324 123.755 120.400 0.052 0.000 2.450 222 D HA 0.231 4.824 4.640 -0.079 0.000 0.247 222 D C -0.182 176.131 176.300 0.022 0.000 1.162 222 D CA 1.050 55.055 54.000 0.008 0.000 0.879 222 D CB 0.961 41.755 40.800 -0.010 0.000 1.163 222 D HN 0.090 nan 8.370 nan 0.000 0.472 223 T N 0.937 115.443 114.554 -0.080 0.000 2.916 223 T HA 0.631 4.934 4.350 -0.079 0.000 0.298 223 T C -0.784 173.664 174.700 -0.419 0.000 1.031 223 T CA -0.680 61.339 62.100 -0.136 0.000 0.993 223 T CB 1.867 70.778 68.868 0.072 0.000 1.045 223 T HN 0.394 nan 8.240 nan 0.000 0.454 224 A N 2.509 125.041 122.820 -0.480 0.000 2.393 224 A HA 0.913 5.186 4.320 -0.079 0.000 0.306 224 A C -1.119 176.364 177.584 -0.169 0.000 1.050 224 A CA -0.621 51.189 52.037 -0.378 0.000 0.724 224 A CB 1.289 20.104 19.000 -0.308 0.000 1.248 224 A HN 0.686 nan 8.150 nan 0.000 0.424 225 V N 1.784 121.651 119.914 -0.077 0.000 3.114 225 V HA 0.708 4.781 4.120 -0.079 0.000 0.308 225 V C -1.181 174.688 176.094 -0.374 0.000 1.168 225 V CA -0.618 61.548 62.300 -0.222 0.000 1.015 225 V CB 1.949 33.721 31.823 -0.085 0.000 1.050 225 V HN 1.043 nan 8.190 nan 0.000 0.433 226 L N 2.079 122.809 121.223 -0.820 0.000 2.354 226 L HA 0.881 5.174 4.340 -0.079 0.000 0.264 226 L C -1.854 174.653 176.870 -0.606 0.000 1.008 226 L CA -0.335 54.139 54.840 -0.610 0.000 0.819 226 L CB 1.992 43.535 42.059 -0.860 0.000 1.339 226 L HN 0.508 nan 8.230 nan 0.000 0.420 227 F N 3.227 123.190 119.950 0.022 0.000 2.585 227 F HA 0.710 5.190 4.527 -0.078 0.000 0.319 227 F C -0.089 175.883 175.800 0.287 0.000 1.165 227 F CA -0.378 57.719 58.000 0.161 0.000 0.949 227 F CB 2.215 41.361 39.000 0.243 0.000 1.218 227 F HN 0.583 nan 8.300 nan 0.000 0.453 228 A N 2.913 125.968 122.820 0.391 0.000 3.030 228 A HA 0.442 4.715 4.320 -0.079 0.000 0.335 228 A C -0.906 176.791 177.584 0.189 0.000 1.089 228 A CA -0.888 51.321 52.037 0.287 0.000 0.807 228 A CB -0.458 18.588 19.000 0.076 0.000 1.099 228 A HN 0.667 nan 8.150 nan 0.000 0.474 229 N N 1.084 119.892 118.700 0.180 0.000 2.421 229 N HA 0.297 4.990 4.740 -0.079 0.000 0.260 229 N C 0.842 176.355 175.510 0.005 0.000 1.173 229 N CA 0.135 53.200 53.050 0.025 0.000 0.960 229 N CB 0.825 39.238 38.487 -0.123 0.000 1.273 229 N HN 0.359 nan 8.380 nan 0.000 0.497 230 G N 1.693 110.499 108.800 0.010 0.000 3.250 230 G HA2 -0.132 3.781 3.960 -0.079 0.000 0.216 230 G HA3 -0.132 3.781 3.960 -0.079 0.000 0.216 230 G C 0.717 175.614 174.900 -0.004 0.000 1.091 230 G CA -0.105 44.995 45.100 0.001 0.000 1.654 230 G HN 0.708 nan 8.290 nan 0.000 0.551 231 L N -0.602 120.613 121.223 -0.013 0.000 2.622 231 L HA 0.077 4.370 4.340 -0.079 0.000 0.233 231 L C 2.340 179.214 176.870 0.006 0.000 1.156 231 L CA 0.744 55.573 54.840 -0.019 0.000 0.866 231 L CB 0.137 42.165 42.059 -0.052 0.000 0.980 231 L HN 0.374 nan 8.230 nan 0.000 0.448 232 A N -0.240 122.596 122.820 0.027 0.000 2.594 232 A HA 0.564 4.836 4.320 -0.079 0.000 0.287 232 A C 0.948 178.552 177.584 0.033 0.000 1.227 232 A CA 0.249 52.310 52.037 0.040 0.000 0.952 232 A CB -0.048 18.994 19.000 0.071 0.000 1.161 232 A HN 0.348 nan 8.150 nan 0.000 0.524 233 G N -1.470 107.341 108.800 0.018 0.000 2.781 233 G HA2 0.401 4.314 3.960 -0.079 0.000 0.683 233 G HA3 0.401 4.314 3.960 -0.079 0.000 0.683 233 G C -0.136 174.767 174.900 0.005 0.000 1.390 233 G CA 0.016 45.122 45.100 0.011 0.000 0.850 233 G HN 1.509 nan 8.290 nan 0.000 0.557 234 E N -1.247 118.952 120.200 -0.002 0.000 2.438 234 E HA 0.527 4.830 4.350 -0.079 0.000 0.261 234 E C 0.465 177.062 176.600 -0.005 0.000 1.103 234 E CA 0.606 56.997 56.400 -0.015 0.000 0.959 234 E CB 1.128 30.822 29.700 -0.011 0.000 0.958 234 E HN 2.017 nan 8.360 nan 0.000 0.447 235 V N 2.431 122.331 119.914 -0.023 0.000 2.668 235 V HA 0.196 4.269 4.120 -0.079 0.000 0.304 235 V C -0.370 175.733 176.094 0.014 0.000 1.071 235 V CA -1.077 61.230 62.300 0.012 0.000 0.894 235 V CB 2.083 33.929 31.823 0.038 0.000 1.008 235 V HN 0.976 nan 8.190 nan 0.000 0.425 236 D N 3.229 123.658 120.400 0.048 0.000 2.502 236 D HA 0.059 4.652 4.640 -0.079 0.000 0.249 236 D C 1.225 177.581 176.300 0.093 0.000 1.188 236 D CA 0.829 54.861 54.000 0.054 0.000 0.890 236 D CB 1.817 42.651 40.800 0.056 0.000 1.140 236 D HN 0.730 nan 8.370 nan 0.000 0.505 237 A N 4.407 127.268 122.820 0.068 0.000 1.892 237 A HA -0.164 4.108 4.320 -0.079 0.000 0.218 237 A C 2.155 179.834 177.584 0.158 0.000 1.188 237 A CA 2.038 54.143 52.037 0.114 0.000 0.631 237 A CB -0.956 18.083 19.000 0.066 0.000 0.822 237 A HN 0.686 nan 8.150 nan 0.000 0.447 238 G N -0.624 108.234 108.800 0.098 0.000 2.469 238 G HA2 -0.256 3.657 3.960 -0.079 0.000 0.220 238 G HA3 -0.256 3.657 3.960 -0.079 0.000 0.220 238 G C 1.441 176.390 174.900 0.082 0.000 1.136 238 G CA 1.169 46.315 45.100 0.077 0.000 0.759 238 G HN 0.708 nan 8.290 nan 0.000 0.562 239 E N -0.724 119.537 120.200 0.101 0.000 2.076 239 E HA 0.021 4.324 4.350 -0.079 0.000 0.190 239 E C 2.083 178.758 176.600 0.125 0.000 0.979 239 E CA 0.350 56.805 56.400 0.092 0.000 0.807 239 E CB -0.189 29.566 29.700 0.092 0.000 0.761 239 E HN 0.440 nan 8.360 nan 0.000 0.454 240 F N 2.424 122.390 119.950 0.026 0.000 2.102 240 F HA -0.204 4.276 4.527 -0.078 0.000 0.298 240 F C 2.336 178.156 175.800 0.033 0.000 1.105 240 F CA 1.848 59.868 58.000 0.033 0.000 1.239 240 F CB 0.026 39.047 39.000 0.035 0.000 0.991 240 F HN -0.065 nan 8.300 nan 0.000 0.474 241 E N 0.387 120.694 120.200 0.180 0.000 2.038 241 E HA -0.276 4.027 4.350 -0.079 0.000 0.195 241 E C 2.219 178.810 176.600 -0.015 0.000 1.000 241 E CA 1.824 58.268 56.400 0.072 0.000 0.803 241 E CB -0.357 29.415 29.700 0.120 0.000 0.750 241 E HN 0.553 nan 8.360 nan 0.000 0.448 242 E N 0.142 120.340 120.200 -0.003 0.000 2.331 242 E HA -0.123 4.180 4.350 -0.079 0.000 0.199 242 E C 1.655 178.221 176.600 -0.056 0.000 1.008 242 E CA 1.376 57.754 56.400 -0.036 0.000 0.843 242 E CB -0.627 29.047 29.700 -0.043 0.000 0.761 242 E HN 0.505 nan 8.360 nan 0.000 0.507 243 A N -0.263 122.489 122.820 -0.113 0.000 1.887 243 A HA 0.322 4.595 4.320 -0.079 0.000 0.212 243 A C 2.282 179.754 177.584 -0.187 0.000 1.198 243 A CA 1.183 53.129 52.037 -0.151 0.000 0.628 243 A CB -0.144 18.731 19.000 -0.208 0.000 0.847 243 A HN 0.514 nan 8.150 nan 0.000 0.449 244 L N -0.546 120.477 121.223 -0.333 0.000 2.141 244 L HA -0.130 4.163 4.340 -0.079 0.000 0.209 244 L C 2.243 179.033 176.870 -0.133 0.000 1.094 244 L CA 2.288 56.943 54.840 -0.310 0.000 0.763 244 L CB -0.891 40.903 42.059 -0.442 0.000 0.908 244 L HN 0.618 nan 8.230 nan 0.000 0.437 245 H N -1.042 117.925 119.070 -0.171 0.000 2.423 245 H HA -0.086 4.423 4.556 -0.079 0.000 0.297 245 H C 1.684 176.944 175.328 -0.113 0.000 1.075 245 H CA 1.819 57.787 56.048 -0.133 0.000 1.342 245 H CB 0.112 29.809 29.762 -0.108 0.000 1.395 245 H HN 0.339 nan 8.280 nan 0.000 0.530 246 T N 0.458 115.078 114.554 0.110 0.000 2.812 246 T HA 0.028 4.331 4.350 -0.079 0.000 0.264 246 T C 2.242 176.957 174.700 0.025 0.000 1.042 246 T CA 1.112 63.246 62.100 0.056 0.000 1.140 246 T CB -0.393 68.475 68.868 0.000 0.000 0.870 246 T HN 0.458 nan 8.240 nan 0.000 0.445 247 A N 1.710 124.550 122.820 0.035 0.000 1.841 247 A HA 0.207 4.480 4.320 -0.079 0.000 0.214 247 A C 2.671 180.349 177.584 0.156 0.000 1.195 247 A CA 1.781 53.885 52.037 0.111 0.000 0.611 247 A CB -1.287 17.846 19.000 0.221 0.000 0.835 247 A HN 0.475 nan 8.150 nan 0.000 0.443 248 A N -0.595 122.312 122.820 0.145 0.000 1.908 248 A HA -0.108 4.165 4.320 -0.079 0.000 0.218 248 A C 2.017 179.400 177.584 -0.335 0.000 1.181 248 A CA 1.834 53.872 52.037 0.002 0.000 0.627 248 A CB -0.622 18.259 19.000 -0.198 0.000 0.818 248 A HN 0.872 nan 8.150 nan 0.000 0.445 249 L N -1.046 120.023 121.223 -0.257 0.000 2.622 249 L HA 0.232 4.525 4.340 -0.079 0.000 0.233 249 L C 2.097 178.825 176.870 -0.238 0.000 1.156 249 L CA 1.150 55.823 54.840 -0.278 0.000 0.866 249 L CB -0.578 41.415 42.059 -0.110 0.000 0.980 249 L HN 0.328 nan 8.230 nan 0.000 0.448 250 A N -0.574 122.154 122.820 -0.153 0.000 1.859 250 A HA 0.050 4.323 4.320 -0.079 0.000 0.212 250 A C 1.925 179.434 177.584 -0.125 0.000 1.238 250 A CA 1.100 53.071 52.037 -0.110 0.000 0.613 250 A CB -0.690 18.282 19.000 -0.046 0.000 0.904 250 A HN 0.353 nan 8.150 nan 0.000 0.457 251 L N 0.170 121.345 121.223 -0.079 0.000 2.127 251 L HA -0.159 4.134 4.340 -0.079 0.000 0.211 251 L C 2.386 179.215 176.870 -0.067 0.000 1.089 251 L CA 1.040 55.869 54.840 -0.019 0.000 0.757 251 L CB -0.797 41.341 42.059 0.132 0.000 0.899 251 L HN 0.210 nan 8.230 nan 0.000 0.434 252 V N -0.332 119.424 119.914 -0.263 0.000 2.255 252 V HA -0.311 3.762 4.120 -0.079 0.000 0.247 252 V C 2.570 178.505 176.094 -0.266 0.000 1.051 252 V CA 1.825 63.944 62.300 -0.301 0.000 1.018 252 V CB -0.580 30.944 31.823 -0.498 0.000 0.641 252 V HN 0.437 nan 8.190 nan 0.000 0.445 253 K N -0.127 120.052 120.400 -0.368 0.000 2.057 253 K HA -0.229 4.044 4.320 -0.079 0.000 0.207 253 K C 1.890 178.414 176.600 -0.128 0.000 1.049 253 K CA 1.973 58.081 56.287 -0.298 0.000 0.931 253 K CB -0.458 31.872 32.500 -0.284 0.000 0.714 253 K HN 0.478 nan 8.250 nan 0.000 0.440 254 D N 0.896 121.239 120.400 -0.095 0.000 2.190 254 D HA -0.150 4.443 4.640 -0.079 0.000 0.200 254 D C 1.751 178.045 176.300 -0.010 0.000 0.992 254 D CA 0.969 54.946 54.000 -0.038 0.000 0.854 254 D CB -0.032 40.755 40.800 -0.023 0.000 0.936 254 D HN 0.164 nan 8.370 nan 0.000 0.462 255 I N 0.191 120.759 120.570 -0.004 0.000 2.233 255 I HA -0.177 3.946 4.170 -0.079 0.000 0.243 255 I C 2.259 178.400 176.117 0.041 0.000 1.093 255 I CA 0.756 62.078 61.300 0.036 0.000 1.380 255 I CB -0.084 37.963 38.000 0.078 0.000 1.067 255 I HN -0.012 nan 8.210 nan 0.000 0.413 256 A N -0.391 122.447 122.820 0.029 0.000 2.015 256 A HA -0.141 4.131 4.320 -0.079 0.000 0.219 256 A C 2.392 180.006 177.584 0.050 0.000 1.163 256 A CA 1.772 53.845 52.037 0.060 0.000 0.646 256 A CB -0.447 18.607 19.000 0.090 0.000 0.806 256 A HN 0.369 nan 8.150 nan 0.000 0.448 257 S N -0.646 115.070 115.700 0.027 0.000 2.414 257 S HA -0.077 4.346 4.470 -0.079 0.000 0.227 257 S C 1.262 175.882 174.600 0.033 0.000 1.022 257 S CA 1.151 59.368 58.200 0.027 0.000 0.958 257 S CB -0.191 63.015 63.200 0.010 0.000 0.797 257 S HN 0.657 nan 8.310 nan 0.000 0.493 258 D N 1.347 121.766 120.400 0.032 0.000 2.370 258 D HA 0.223 4.816 4.640 -0.079 0.000 0.230 258 D C 0.674 177.001 176.300 0.046 0.000 1.143 258 D CA -0.196 53.824 54.000 0.033 0.000 0.834 258 D CB -0.251 40.565 40.800 0.027 0.000 0.944 258 D HN 0.270 nan 8.370 nan 0.000 0.504 259 G N 0.748 109.583 108.800 0.060 0.000 2.353 259 G HA2 -0.028 3.885 3.960 -0.079 0.000 0.239 259 G HA3 -0.028 3.885 3.960 -0.079 0.000 0.239 259 G C 0.008 174.961 174.900 0.088 0.000 1.295 259 G CA -0.419 44.731 45.100 0.084 0.000 0.884 259 G HN 0.282 nan 8.290 nan 0.000 0.537 260 E N 1.025 121.282 120.200 0.096 0.000 2.868 260 E HA 0.118 4.421 4.350 -0.079 0.000 0.246 260 E C 1.463 178.113 176.600 0.084 0.000 0.962 260 E CA 0.969 57.395 56.400 0.045 0.000 0.955 260 E CB 0.091 29.750 29.700 -0.068 0.000 0.903 260 E HN 0.962 nan 8.360 nan 0.000 0.524 261 G N 2.641 111.465 108.800 0.040 0.000 2.200 261 G HA2 -0.373 3.540 3.960 -0.079 0.000 0.268 261 G HA3 -0.373 3.540 3.960 -0.079 0.000 0.268 261 G C 0.453 175.391 174.900 0.063 0.000 0.986 261 G CA 0.306 45.434 45.100 0.047 0.000 0.677 261 G HN 0.790 nan 8.290 nan 0.000 0.532 262 A N -0.814 122.051 122.820 0.075 0.000 2.386 262 A HA 0.856 5.129 4.320 -0.079 0.000 0.248 262 A C 1.338 178.965 177.584 0.072 0.000 1.082 262 A CA 0.859 52.938 52.037 0.071 0.000 0.789 262 A CB 0.866 19.911 19.000 0.074 0.000 1.025 262 A HN 1.617 nan 8.150 nan 0.000 0.490 263 A N 1.530 124.406 122.820 0.093 0.000 2.011 263 A HA 0.309 4.582 4.320 -0.079 0.000 0.204 263 A C 0.849 178.471 177.584 0.063 0.000 1.520 263 A CA 0.854 52.945 52.037 0.090 0.000 0.819 263 A CB -0.000 19.081 19.000 0.136 0.000 1.087 263 A HN 0.789 nan 8.150 nan 0.000 0.526 264 K N 0.163 120.604 120.400 0.068 0.000 2.203 264 K HA 0.700 4.973 4.320 -0.079 0.000 0.251 264 K C -1.002 175.630 176.600 0.054 0.000 0.944 264 K CA -0.634 55.680 56.287 0.043 0.000 0.829 264 K CB 2.173 34.683 32.500 0.018 0.000 1.125 264 K HN 0.282 nan 8.250 nan 0.000 0.430 265 L N 3.368 124.622 121.223 0.053 0.000 2.326 265 L HA 0.448 4.741 4.340 -0.079 0.000 0.278 265 L C -1.011 175.915 176.870 0.093 0.000 1.092 265 L CA -0.752 54.134 54.840 0.076 0.000 0.810 265 L CB 0.583 42.685 42.059 0.070 0.000 1.153 265 L HN 0.629 nan 8.230 nan 0.000 0.439 266 I N 4.576 125.215 120.570 0.116 0.000 2.433 266 I HA 0.366 4.489 4.170 -0.079 0.000 0.292 266 I C -0.513 175.690 176.117 0.143 0.000 1.001 266 I CA -0.445 60.925 61.300 0.116 0.000 1.119 266 I CB 1.874 39.928 38.000 0.091 0.000 1.289 266 I HN 0.631 nan 8.210 nan 0.000 0.438 267 E N 5.943 126.220 120.200 0.128 0.000 2.185 267 E HA 0.453 4.756 4.350 -0.079 0.000 0.261 267 E C -1.590 174.999 176.600 -0.017 0.000 0.879 267 E CA -0.611 55.827 56.400 0.064 0.000 0.756 267 E CB 1.867 31.671 29.700 0.173 0.000 1.152 267 E HN 0.373 nan 8.360 nan 0.000 0.416 268 V N 5.269 125.123 119.914 -0.100 0.000 2.333 268 V HA 0.203 4.276 4.120 -0.079 0.000 0.274 268 V C -0.240 175.797 176.094 -0.095 0.000 1.028 268 V CA -0.552 61.703 62.300 -0.074 0.000 0.851 268 V CB 1.189 32.979 31.823 -0.055 0.000 1.000 268 V HN 0.697 nan 8.190 nan 0.000 0.456 269 Q N 3.906 123.666 119.800 -0.068 0.000 2.430 269 Q HA 0.483 4.776 4.340 -0.079 0.000 0.245 269 Q C -0.866 175.112 176.000 -0.037 0.000 1.021 269 Q CA -0.371 55.397 55.803 -0.059 0.000 0.867 269 Q CB 2.092 30.800 28.738 -0.050 0.000 1.210 269 Q HN 0.596 nan 8.270 nan 0.000 0.487 270 V N 2.762 122.670 119.914 -0.010 0.000 2.439 270 V HA 0.540 4.613 4.120 -0.079 0.000 0.282 270 V C 0.288 176.390 176.094 0.012 0.000 1.039 270 V CA -0.221 62.080 62.300 0.003 0.000 0.913 270 V CB 1.557 33.391 31.823 0.019 0.000 0.983 270 V HN 0.884 nan 8.190 nan 0.000 0.460 271 T N 0.467 115.021 114.554 0.001 0.000 2.868 271 T HA 0.679 4.982 4.350 -0.079 0.000 0.306 271 T C 0.527 175.227 174.700 -0.001 0.000 1.224 271 T CA 0.185 62.286 62.100 0.001 0.000 1.012 271 T CB 1.823 70.685 68.868 -0.010 0.000 1.221 271 T HN 1.707 nan 8.240 nan 0.000 0.499 272 G N 0.372 109.172 108.800 0.000 0.000 2.195 272 G HA2 0.099 4.012 3.960 -0.079 0.000 0.246 272 G HA3 0.099 4.012 3.960 -0.079 0.000 0.246 272 G C 0.569 175.470 174.900 0.001 0.000 0.984 272 G CA 0.091 45.190 45.100 -0.002 0.000 0.633 272 G HN 1.726 nan 8.290 nan 0.000 0.525 273 A N 0.608 123.431 122.820 0.005 0.000 2.492 273 A HA 0.532 4.804 4.320 -0.079 0.000 0.236 273 A C 1.634 179.219 177.584 0.002 0.000 1.078 273 A CA 1.159 53.198 52.037 0.003 0.000 0.773 273 A CB 0.056 19.060 19.000 0.006 0.000 1.023 273 A HN 1.260 nan 8.150 nan 0.000 0.504 274 R N -0.011 120.488 120.500 -0.002 0.000 2.285 274 R HA -0.005 4.288 4.340 -0.079 0.000 0.213 274 R C -0.506 175.794 176.300 0.000 0.000 1.068 274 R CA 1.348 57.447 56.100 -0.002 0.000 1.004 274 R CB -0.572 29.725 30.300 -0.005 0.000 0.873 274 R HN 0.875 nan 8.270 nan 0.000 0.467 275 D N -2.619 117.782 120.400 0.002 0.000 2.798 275 D HA 0.070 4.663 4.640 -0.079 0.000 0.265 275 D C -0.821 175.488 176.300 0.015 0.000 1.223 275 D CA -0.748 53.257 54.000 0.008 0.000 0.743 275 D CB 0.472 41.272 40.800 -0.000 0.000 1.276 275 D HN -0.251 nan 8.370 nan 0.000 0.421 276 D N 0.379 120.800 120.400 0.035 0.000 2.108 276 D HA -0.200 4.393 4.640 -0.079 0.000 0.190 276 D C 2.266 178.558 176.300 -0.012 0.000 0.995 276 D CA 2.815 56.859 54.000 0.074 0.000 0.834 276 D CB -0.861 40.016 40.800 0.128 0.000 0.967 276 D HN 0.559 nan 8.370 nan 0.000 0.446 277 A N 0.688 123.475 122.820 -0.055 0.000 1.929 277 A HA -0.367 3.905 4.320 -0.079 0.000 0.221 277 A C 2.150 179.655 177.584 -0.132 0.000 1.211 277 A CA 2.693 54.654 52.037 -0.127 0.000 0.657 277 A CB -1.037 17.913 19.000 -0.083 0.000 0.827 277 A HN 0.395 nan 8.150 nan 0.000 0.462 278 Q N -0.912 118.844 119.800 -0.073 0.000 2.084 278 Q HA -0.100 4.193 4.340 -0.079 0.000 0.202 278 Q C 2.249 178.210 176.000 -0.065 0.000 0.978 278 Q CA 1.605 57.371 55.803 -0.062 0.000 0.844 278 Q CB -0.386 28.331 28.738 -0.034 0.000 0.898 278 Q HN 0.646 nan 8.270 nan 0.000 0.426 279 A N 1.675 124.472 122.820 -0.038 0.000 1.859 279 A HA -0.290 3.983 4.320 -0.079 0.000 0.217 279 A C 2.065 179.617 177.584 -0.053 0.000 1.198 279 A CA 2.027 54.066 52.037 0.003 0.000 0.629 279 A CB -0.820 18.241 19.000 0.102 0.000 0.830 279 A HN 0.439 nan 8.150 nan 0.000 0.446 280 K N -0.667 119.591 120.400 -0.237 0.000 2.152 280 K HA -0.203 4.070 4.320 -0.079 0.000 0.206 280 K C 2.335 178.777 176.600 -0.264 0.000 1.048 280 K CA 1.576 57.564 56.287 -0.499 0.000 0.933 280 K CB -0.181 31.595 32.500 -1.206 0.000 0.721 280 K HN 0.480 nan 8.250 nan 0.000 0.447 281 R N 0.198 120.583 120.500 -0.193 0.000 2.062 281 R HA -0.090 4.203 4.340 -0.079 0.000 0.231 281 R C 2.090 178.340 176.300 -0.083 0.000 1.136 281 R CA 1.548 57.573 56.100 -0.125 0.000 0.948 281 R CB -0.186 30.055 30.300 -0.099 0.000 0.845 281 R HN 0.064 nan 8.270 nan 0.000 0.430 282 V N 0.461 120.336 119.914 -0.065 0.000 2.626 282 V HA -0.121 3.952 4.120 -0.079 0.000 0.252 282 V C 2.280 178.350 176.094 -0.040 0.000 1.067 282 V CA 1.824 64.098 62.300 -0.043 0.000 1.081 282 V CB -0.544 31.261 31.823 -0.032 0.000 0.686 282 V HN 0.645 nan 8.190 nan 0.000 0.468 283 G N -0.133 108.642 108.800 -0.042 0.000 2.464 283 G HA2 -0.193 3.720 3.960 -0.079 0.000 0.214 283 G HA3 -0.193 3.720 3.960 -0.079 0.000 0.214 283 G C 1.659 176.538 174.900 -0.035 0.000 1.218 283 G CA 0.548 45.632 45.100 -0.027 0.000 0.794 283 G HN 0.326 nan 8.290 nan 0.000 0.542 284 K N 0.219 120.589 120.400 -0.049 0.000 2.020 284 K HA -0.103 4.170 4.320 -0.079 0.000 0.212 284 K C 2.699 179.279 176.600 -0.035 0.000 1.050 284 K CA 1.648 57.910 56.287 -0.042 0.000 0.929 284 K CB -1.216 31.248 32.500 -0.059 0.000 0.714 284 K HN 0.261 nan 8.250 nan 0.000 0.443 285 T N 1.696 116.226 114.554 -0.040 0.000 2.685 285 T HA -0.135 4.168 4.350 -0.079 0.000 0.268 285 T C 2.074 176.759 174.700 -0.025 0.000 1.034 285 T CA 1.575 63.656 62.100 -0.033 0.000 1.149 285 T CB -0.232 68.616 68.868 -0.033 0.000 0.860 285 T HN -0.048 nan 8.240 nan 0.000 0.449 286 V N 0.512 120.413 119.914 -0.023 0.000 2.244 286 V HA -0.086 3.987 4.120 -0.079 0.000 0.244 286 V C 2.513 178.604 176.094 -0.006 0.000 1.042 286 V CA 1.296 63.588 62.300 -0.014 0.000 1.006 286 V CB -0.689 31.124 31.823 -0.017 0.000 0.641 286 V HN 0.315 nan 8.190 nan 0.000 0.446 287 V N 0.753 120.662 119.914 -0.008 0.000 2.867 287 V HA -0.181 3.892 4.120 -0.079 0.000 0.260 287 V C 2.035 178.126 176.094 -0.006 0.000 1.099 287 V CA 1.970 64.271 62.300 0.001 0.000 1.122 287 V CB -0.610 31.213 31.823 0.000 0.000 0.708 287 V HN 0.604 nan 8.190 nan 0.000 0.490 288 N N -0.386 118.304 118.700 -0.017 0.000 2.409 288 N HA 0.040 4.733 4.740 -0.079 0.000 0.174 288 N C 1.020 176.508 175.510 -0.037 0.000 1.037 288 N CA 0.628 53.661 53.050 -0.029 0.000 0.898 288 N CB 0.040 38.510 38.487 -0.029 0.000 1.010 288 N HN 0.382 nan 8.380 nan 0.000 0.445 289 S N 2.451 118.134 115.700 -0.027 0.000 2.885 289 S HA -0.019 4.404 4.470 -0.079 0.000 0.334 289 S C -1.488 173.091 174.600 -0.035 0.000 1.224 289 S CA -0.955 57.229 58.200 -0.027 0.000 1.080 289 S CB 0.723 63.913 63.200 -0.016 0.000 0.801 289 S HN 0.032 nan 8.310 nan 0.000 0.510 290 P HA -0.071 nan 4.420 nan 0.000 0.218 290 P C 1.219 178.495 177.300 -0.040 0.000 1.148 290 P CA 1.019 64.084 63.100 -0.058 0.000 0.822 290 P CB 0.104 31.767 31.700 -0.062 0.000 0.784 291 L N -1.817 119.388 121.223 -0.030 0.000 2.217 291 L HA -0.092 4.201 4.340 -0.079 0.000 0.211 291 L C 2.233 179.098 176.870 -0.007 0.000 1.107 291 L CA 0.927 55.754 54.840 -0.022 0.000 0.783 291 L CB -0.733 41.310 42.059 -0.027 0.000 0.919 291 L HN -0.116 nan 8.230 nan 0.000 0.442 292 V N 0.057 119.972 119.914 0.002 0.000 2.323 292 V HA -0.230 3.843 4.120 -0.079 0.000 0.244 292 V C 2.359 178.475 176.094 0.035 0.000 1.041 292 V CA 1.640 63.958 62.300 0.031 0.000 1.025 292 V CB -0.398 31.447 31.823 0.037 0.000 0.656 292 V HN 0.410 nan 8.190 nan 0.000 0.451 293 K N 0.715 121.122 120.400 0.012 0.000 2.147 293 K HA -0.159 4.114 4.320 -0.079 0.000 0.205 293 K C 2.126 178.744 176.600 0.030 0.000 1.049 293 K CA 1.925 58.218 56.287 0.010 0.000 0.936 293 K CB -0.528 31.950 32.500 -0.036 0.000 0.722 293 K HN 0.714 nan 8.250 nan 0.000 0.446 294 T N -0.884 113.680 114.554 0.017 0.000 2.896 294 T HA 0.045 4.348 4.350 -0.079 0.000 0.263 294 T C 2.194 176.942 174.700 0.080 0.000 1.050 294 T CA 0.757 62.888 62.100 0.052 0.000 1.140 294 T CB -0.213 68.663 68.868 0.014 0.000 0.877 294 T HN 0.164 nan 8.240 nan 0.000 0.457 295 A N 1.315 124.155 122.820 0.033 0.000 1.873 295 A HA 0.099 4.372 4.320 -0.079 0.000 0.215 295 A C 2.591 180.172 177.584 -0.005 0.000 1.186 295 A CA 1.381 53.418 52.037 0.001 0.000 0.616 295 A CB -1.134 17.858 19.000 -0.014 0.000 0.823 295 A HN 0.372 nan 8.150 nan 0.000 0.442 296 V N -0.160 119.771 119.914 0.029 0.000 2.594 296 V HA -0.266 3.807 4.120 -0.079 0.000 0.253 296 V C 2.447 178.557 176.094 0.028 0.000 1.069 296 V CA 2.435 64.746 62.300 0.019 0.000 1.082 296 V CB -1.011 30.851 31.823 0.064 0.000 0.680 296 V HN 0.864 nan 8.190 nan 0.000 0.469 297 H N 0.965 120.018 119.070 -0.029 0.000 2.423 297 H HA -0.010 4.499 4.556 -0.079 0.000 0.297 297 H C 1.934 177.241 175.328 -0.034 0.000 1.075 297 H CA 1.535 57.568 56.048 -0.026 0.000 1.342 297 H CB -0.290 29.461 29.762 -0.019 0.000 1.395 297 H HN 0.373 nan 8.280 nan 0.000 0.530 298 G N -1.197 107.522 108.800 -0.134 0.000 3.440 298 G HA2 0.081 3.994 3.960 -0.079 0.000 0.263 298 G HA3 0.081 3.994 3.960 -0.079 0.000 0.263 298 G C 0.406 175.212 174.900 -0.156 0.000 1.236 298 G CA 0.229 45.217 45.100 -0.188 0.000 0.927 298 G HN 0.594 nan 8.290 nan 0.000 0.530 299 C N 0.212 119.418 119.300 -0.156 0.000 4.092 299 C HA -0.159 4.254 4.460 -0.079 0.000 0.297 299 C C 0.470 175.367 174.990 -0.154 0.000 1.475 299 C CA 0.387 59.318 59.018 -0.144 0.000 2.043 299 C CB -2.365 25.297 27.740 -0.129 0.000 1.289 299 C HN 0.679 nan 8.230 nan 0.000 0.755 300 D N 0.876 121.177 120.400 -0.164 0.000 2.344 300 D HA 0.389 4.982 4.640 -0.079 0.000 0.239 300 D C -1.717 174.396 176.300 -0.312 0.000 1.064 300 D CA -2.008 51.878 54.000 -0.189 0.000 0.829 300 D CB 1.357 42.077 40.800 -0.134 0.000 1.129 300 D HN 0.192 nan 8.370 nan 0.000 0.506 301 P HA 0.074 nan 4.420 nan 0.000 0.230 301 P C -0.444 176.586 177.300 -0.449 0.000 1.791 301 P CA -0.421 62.053 63.100 -1.042 0.000 1.020 301 P CB -0.185 30.957 31.700 -0.930 0.000 1.977 302 N N 2.403 120.985 118.700 -0.196 0.000 2.420 302 N HA -0.014 4.679 4.740 -0.079 0.000 0.262 302 N C 0.986 176.622 175.510 0.211 0.000 1.144 302 N CA -0.277 52.734 53.050 -0.065 0.000 0.952 302 N CB 0.406 38.840 38.487 -0.087 0.000 1.081 302 N HN 0.446 nan 8.380 nan 0.000 0.480 303 W N 3.387 124.832 121.300 0.241 0.000 3.013 303 W HA 0.283 4.919 4.660 -0.041 0.000 0.280 303 W C 0.971 177.504 176.519 0.023 0.000 1.249 303 W CA 0.036 57.506 57.345 0.209 0.000 1.577 303 W CB -0.523 29.076 29.460 0.232 0.000 1.057 303 W HN 0.427 nan 8.180 nan 0.000 0.613 304 G N 1.968 110.419 108.800 -0.581 0.000 2.422 304 G HA2 -0.209 3.703 3.960 -0.079 0.000 0.218 304 G HA3 -0.209 3.703 3.960 -0.079 0.000 0.218 304 G C 1.842 176.635 174.900 -0.177 0.000 1.140 304 G CA 0.546 45.335 45.100 -0.518 0.000 0.775 304 G HN 0.173 nan 8.290 nan 0.000 0.545 305 R N -0.410 120.022 120.500 -0.113 0.000 2.075 305 R HA 0.083 4.376 4.340 -0.079 0.000 0.226 305 R C 2.675 178.977 176.300 0.004 0.000 1.114 305 R CA 0.702 56.775 56.100 -0.045 0.000 0.972 305 R CB -0.369 29.915 30.300 -0.028 0.000 0.869 305 R HN 0.262 nan 8.270 nan 0.000 0.437 306 V N 1.886 121.837 119.914 0.062 0.000 2.287 306 V HA -0.216 3.857 4.120 -0.079 0.000 0.248 306 V C 1.606 177.707 176.094 0.012 0.000 1.053 306 V CA 1.592 63.926 62.300 0.057 0.000 1.027 306 V CB -0.763 31.113 31.823 0.088 0.000 0.646 306 V HN 0.367 nan 8.190 nan 0.000 0.447 310 I N 1.509 122.065 120.570 -0.023 0.000 2.151 310 I HA -0.228 3.895 4.170 -0.079 0.000 0.243 310 I C 2.550 178.655 176.117 -0.021 0.000 1.080 310 I CA 1.765 63.050 61.300 -0.024 0.000 1.339 310 I CB -0.328 37.655 38.000 -0.029 0.000 1.039 310 I HN 0.481 nan 8.210 nan 0.000 0.409 311 G N 0.472 109.260 108.800 -0.020 0.000 2.527 311 G HA2 -0.227 3.686 3.960 -0.079 0.000 0.219 311 G HA3 -0.227 3.686 3.960 -0.079 0.000 0.219 311 G C 1.643 176.535 174.900 -0.014 0.000 1.117 311 G CA 0.401 45.492 45.100 -0.014 0.000 0.759 311 G HN 0.361 nan 8.290 nan 0.000 0.556 312 K N -0.504 119.885 120.400 -0.018 0.000 2.288 312 K HA -0.007 4.266 4.320 -0.079 0.000 0.201 312 K C 0.576 177.165 176.600 -0.019 0.000 1.048 312 K CA 0.248 56.524 56.287 -0.018 0.000 0.956 312 K CB -0.058 32.430 32.500 -0.021 0.000 0.746 312 K HN 0.251 nan 8.250 nan 0.000 0.461 313 C N 2.768 122.056 119.300 -0.020 0.000 2.756 313 C HA 0.085 4.498 4.460 -0.079 0.000 0.504 313 C C 1.853 176.834 174.990 -0.016 0.000 1.028 313 C CA -0.520 58.486 59.018 -0.021 0.000 1.167 313 C CB -1.746 25.979 27.740 -0.025 0.000 1.444 313 C HN 0.395 nan 8.230 nan 0.000 0.577 314 S N -0.216 115.476 115.700 -0.014 0.000 2.507 314 S HA -0.114 4.309 4.470 -0.079 0.000 0.235 314 S C 1.031 175.625 174.600 -0.009 0.000 0.988 314 S CA 1.193 59.387 58.200 -0.010 0.000 0.944 314 S CB -0.098 63.096 63.200 -0.009 0.000 0.762 314 S HN 0.697 nan 8.310 nan 0.000 0.526 315 D N 1.789 122.182 120.400 -0.012 0.000 2.301 315 D HA 0.064 4.657 4.640 -0.079 0.000 0.206 315 D C -0.349 175.944 176.300 -0.011 0.000 0.979 315 D CA 0.500 54.494 54.000 -0.011 0.000 0.874 315 D CB -0.419 40.374 40.800 -0.013 0.000 0.968 315 D HN 0.493 nan 8.370 nan 0.000 0.510 316 D N 0.970 121.363 120.400 -0.013 0.000 2.662 316 D HA -0.028 4.565 4.640 -0.079 0.000 0.228 316 D C 1.361 177.656 176.300 -0.008 0.000 1.093 316 D CA 0.157 54.150 54.000 -0.012 0.000 1.075 316 D CB 0.087 40.877 40.800 -0.016 0.000 1.122 316 D HN 0.062 nan 8.370 nan 0.000 0.475 317 T N -2.120 112.431 114.554 -0.006 0.000 3.077 317 T HA -0.218 4.085 4.350 -0.079 0.000 0.269 317 T C 1.258 175.958 174.700 -0.000 0.000 1.146 317 T CA 0.620 62.718 62.100 -0.002 0.000 1.091 317 T CB -0.008 68.859 68.868 -0.002 0.000 0.892 317 T HN 0.365 nan 8.240 nan 0.000 0.533 318 D N 0.316 120.714 120.400 -0.002 0.000 2.340 318 D HA 0.049 4.642 4.640 -0.079 0.000 0.220 318 D C 0.497 176.798 176.300 0.001 0.000 1.039 318 D CA -0.262 53.738 54.000 -0.001 0.000 0.866 318 D CB -0.151 40.647 40.800 -0.003 0.000 0.913 318 D HN 0.457 nan 8.370 nan 0.000 0.523 319 I N 1.771 122.342 120.570 0.002 0.000 2.304 319 I HA 0.072 4.194 4.170 -0.079 0.000 0.291 319 I C -0.019 176.106 176.117 0.013 0.000 1.018 319 I CA -0.424 60.879 61.300 0.006 0.000 1.260 319 I CB 1.170 39.171 38.000 0.001 0.000 1.390 319 I HN -0.122 nan 8.210 nan 0.000 0.475 320 D N 6.274 126.686 120.400 0.020 0.000 2.233 320 D HA 0.059 4.652 4.640 -0.079 0.000 0.240 320 D C 0.718 177.050 176.300 0.053 0.000 1.074 320 D CA -0.295 53.723 54.000 0.029 0.000 0.838 320 D CB 1.813 42.627 40.800 0.023 0.000 1.124 320 D HN 0.588 nan 8.370 nan 0.000 0.475 321 Q N 2.683 122.520 119.800 0.062 0.000 2.133 321 Q HA -0.296 3.997 4.340 -0.079 0.000 0.208 321 Q C 1.710 177.813 176.000 0.171 0.000 0.991 321 Q CA 2.603 58.468 55.803 0.102 0.000 0.867 321 Q CB 0.176 28.967 28.738 0.089 0.000 0.911 321 Q HN 0.693 nan 8.270 nan 0.000 0.417 322 E N 0.840 121.101 120.200 0.102 0.000 2.076 322 E HA -0.121 4.182 4.350 -0.079 0.000 0.190 322 E C 1.758 178.373 176.600 0.024 0.000 0.979 322 E CA 1.053 57.489 56.400 0.061 0.000 0.807 322 E CB -0.432 29.279 29.700 0.018 0.000 0.761 322 E HN 0.519 nan 8.360 nan 0.000 0.454 323 R N -0.296 120.222 120.500 0.030 0.000 2.280 323 R HA 0.147 4.440 4.340 -0.079 0.000 0.207 323 R C 0.660 176.977 176.300 0.028 0.000 1.043 323 R CA 0.131 56.236 56.100 0.009 0.000 1.006 323 R CB -0.067 30.236 30.300 0.005 0.000 0.885 323 R HN 0.272 nan 8.270 nan 0.000 0.467 324 V N 1.541 121.512 119.914 0.095 0.000 2.775 324 V HA 0.111 4.184 4.120 -0.079 0.000 0.299 324 V C 0.498 176.694 176.094 0.170 0.000 1.062 324 V CA -0.038 62.333 62.300 0.119 0.000 1.063 324 V CB 1.545 33.443 31.823 0.126 0.000 0.994 324 V HN 0.318 nan 8.190 nan 0.000 0.483 325 T N 2.513 117.127 114.554 0.101 0.000 2.937 325 T HA 0.728 5.031 4.350 -0.079 0.000 0.297 325 T C -0.925 173.802 174.700 0.045 0.000 0.991 325 T CA -0.517 61.632 62.100 0.081 0.000 0.990 325 T CB 0.953 69.803 68.868 -0.030 0.000 0.991 325 T HN 0.316 nan 8.240 nan 0.000 0.440 326 I N 2.981 123.589 120.570 0.064 0.000 2.525 326 I HA 0.814 4.936 4.170 -0.079 0.000 0.301 326 I C -0.060 175.992 176.117 -0.108 0.000 0.992 326 I CA -1.207 60.058 61.300 -0.058 0.000 1.162 326 I CB 1.848 39.820 38.000 -0.047 0.000 1.332 326 I HN 0.855 nan 8.210 nan 0.000 0.458 327 R N 3.821 124.187 120.500 -0.224 0.000 2.561 327 R HA 0.542 4.835 4.340 -0.079 0.000 0.266 327 R C -2.156 173.980 176.300 -0.273 0.000 1.091 327 R CA -0.583 55.423 56.100 -0.157 0.000 0.927 327 R CB 0.562 30.820 30.300 -0.070 0.000 1.240 327 R HN 0.273 nan 8.270 nan 0.000 0.449 328 F N 2.324 122.331 119.950 0.094 0.000 2.399 328 F HA 0.676 5.158 4.527 -0.075 0.000 0.334 328 F C 1.743 177.580 175.800 0.061 0.000 1.097 328 F CA 0.939 59.029 58.000 0.149 0.000 1.076 328 F CB 1.851 40.975 39.000 0.207 0.000 1.162 328 F HN 0.976 nan 8.300 nan 0.000 0.495 329 G N 1.763 110.647 108.800 0.140 0.000 2.677 329 G HA2 -0.340 3.573 3.960 -0.079 0.000 0.321 329 G HA3 -0.340 3.573 3.960 -0.079 0.000 0.321 329 G C 0.644 175.442 174.900 -0.171 0.000 1.181 329 G CA 1.053 45.873 45.100 -0.466 0.000 0.965 329 G HN 1.036 nan 8.290 nan 0.000 0.548 330 E N -1.345 118.784 120.200 -0.118 0.000 2.606 330 E HA 0.601 4.904 4.350 -0.079 0.000 0.224 330 E C 0.776 177.359 176.600 -0.028 0.000 0.930 330 E CA 0.871 57.232 56.400 -0.065 0.000 1.125 330 E CB 0.611 30.271 29.700 -0.067 0.000 1.123 330 E HN 1.339 nan 8.360 nan 0.000 0.522 331 V N 2.204 122.119 119.914 0.001 0.000 2.530 331 V HA 0.335 4.408 4.120 -0.079 0.000 0.282 331 V C 0.313 176.436 176.094 0.049 0.000 1.048 331 V CA -0.469 61.851 62.300 0.032 0.000 0.997 331 V CB 1.330 33.192 31.823 0.065 0.000 0.987 331 V HN 0.576 nan 8.190 nan 0.000 0.477 332 E N 3.093 123.302 120.200 0.015 0.000 2.319 332 E HA 0.429 4.731 4.350 -0.079 0.000 0.268 332 E C 0.327 176.935 176.600 0.014 0.000 1.050 332 E CA -0.209 56.188 56.400 -0.006 0.000 0.878 332 E CB 1.687 31.358 29.700 -0.048 0.000 1.066 332 E HN 0.562 nan 8.360 nan 0.000 0.406 333 V N 0.985 120.891 119.914 -0.013 0.000 3.380 333 V HA 0.324 4.397 4.120 -0.079 0.000 0.277 333 V C -0.640 175.254 176.094 -0.334 0.000 1.590 333 V CA -0.401 61.874 62.300 -0.041 0.000 1.019 333 V CB -0.057 31.888 31.823 0.203 0.000 0.828 333 V HN 0.610 nan 8.190 nan 0.000 0.427 334 Y N 2.331 122.348 120.300 -0.473 0.000 2.373 334 Y HA 0.892 5.414 4.550 -0.046 0.000 0.336 334 Y C -3.198 172.489 175.900 -0.355 0.000 0.979 334 Y CA -2.721 54.983 58.100 -0.660 0.000 1.080 334 Y CB 2.697 40.698 38.460 -0.765 0.000 1.190 334 Y HN 0.032 nan 8.280 nan 0.000 0.446 335 P HA 0.327 nan 4.420 nan 0.000 0.276 335 P C -2.511 174.493 177.300 -0.494 0.000 1.244 335 P CA -1.025 61.454 63.100 -1.035 0.000 0.801 335 P CB 0.398 31.606 31.700 -0.819 0.000 1.006 345 D N -1.343 119.069 120.400 0.020 0.000 4.071 345 D HA -0.018 4.575 4.640 -0.079 0.000 0.307 345 D C 2.346 178.657 176.300 0.019 0.000 0.654 345 D CA 4.326 58.337 54.000 0.018 0.000 0.888 345 D CB -1.721 39.086 40.800 0.013 0.000 0.372 345 D HN 2.264 nan 8.370 nan 0.000 0.299 346 A N -0.881 121.948 122.820 0.015 0.000 2.131 346 A HA 0.024 4.296 4.320 -0.079 0.000 0.224 346 A C 2.562 180.157 177.584 0.019 0.000 1.172 346 A CA 2.668 54.714 52.037 0.015 0.000 0.672 346 A CB -0.590 18.417 19.000 0.011 0.000 0.815 346 A HN 0.914 nan 8.150 nan 0.000 0.477 347 L N -2.073 119.164 121.223 0.023 0.000 2.071 347 L HA -0.110 4.183 4.340 -0.079 0.000 0.201 347 L C 3.308 180.203 176.870 0.041 0.000 1.076 347 L CA 1.149 56.006 54.840 0.029 0.000 0.755 347 L CB -0.674 41.401 42.059 0.028 0.000 0.915 347 L HN 0.492 nan 8.230 nan 0.000 0.445 348 R N 0.479 121.005 120.500 0.043 0.000 2.117 348 R HA -0.172 4.120 4.340 -0.079 0.000 0.243 348 R C 2.170 178.493 176.300 0.039 0.000 1.143 348 R CA 1.746 57.876 56.100 0.050 0.000 0.968 348 R CB -1.825 28.502 30.300 0.045 0.000 0.863 348 R HN 0.550 nan 8.270 nan 0.000 0.444 349 A N 0.474 123.312 122.820 0.031 0.000 1.933 349 A HA 0.228 4.501 4.320 -0.079 0.000 0.218 349 A C 2.795 180.399 177.584 0.034 0.000 1.175 349 A CA 1.900 53.952 52.037 0.025 0.000 0.628 349 A CB -0.690 18.321 19.000 0.019 0.000 0.814 349 A HN 0.978 nan 8.150 nan 0.000 0.444 350 A N -0.725 122.120 122.820 0.042 0.000 1.930 350 A HA 0.131 4.404 4.320 -0.079 0.000 0.215 350 A C 2.185 179.822 177.584 0.088 0.000 1.176 350 A CA 1.406 53.475 52.037 0.053 0.000 0.632 350 A CB -0.736 18.288 19.000 0.039 0.000 0.819 350 A HN 0.334 nan 8.150 nan 0.000 0.445 351 V N 0.175 120.144 119.914 0.091 0.000 2.295 351 V HA -0.275 3.798 4.120 -0.079 0.000 0.246 351 V C 3.078 179.220 176.094 0.080 0.000 1.049 351 V CA 1.985 64.362 62.300 0.129 0.000 1.024 351 V CB -1.374 30.518 31.823 0.116 0.000 0.648 351 V HN 0.597 nan 8.190 nan 0.000 0.447 352 A N 0.110 122.948 122.820 0.030 0.000 1.892 352 A HA -0.290 3.983 4.320 -0.079 0.000 0.218 352 A C 2.360 179.946 177.584 0.005 0.000 1.188 352 A CA 2.784 54.816 52.037 -0.009 0.000 0.631 352 A CB -0.998 17.997 19.000 -0.008 0.000 0.822 352 A HN 0.643 nan 8.150 nan 0.000 0.447 353 E N -0.890 119.333 120.200 0.038 0.000 2.153 353 E HA -0.263 4.040 4.350 -0.079 0.000 0.194 353 E C 1.880 178.528 176.600 0.079 0.000 0.988 353 E CA 1.905 58.331 56.400 0.045 0.000 0.811 353 E CB -0.974 28.756 29.700 0.051 0.000 0.746 353 E HN 0.924 nan 8.360 nan 0.000 0.466 354 H N -0.205 118.872 119.070 0.012 0.000 2.299 354 H HA 0.106 4.616 4.556 -0.078 0.000 0.302 354 H C 2.001 177.341 175.328 0.019 0.000 1.078 354 H CA 1.598 57.664 56.048 0.031 0.000 1.323 354 H CB -0.378 29.423 29.762 0.065 0.000 1.381 354 H HN 0.306 nan 8.280 nan 0.000 0.498 355 L N 0.142 121.277 121.223 -0.148 0.000 2.353 355 L HA -0.063 4.230 4.340 -0.079 0.000 0.220 355 L C 2.281 179.056 176.870 -0.159 0.000 1.133 355 L CA 1.132 55.837 54.840 -0.225 0.000 0.798 355 L CB -0.159 41.772 42.059 -0.214 0.000 0.922 355 L HN 0.229 nan 8.230 nan 0.000 0.445 356 R N -0.768 119.671 120.500 -0.102 0.000 2.240 356 R HA 0.111 4.403 4.340 -0.079 0.000 0.203 356 R C 1.184 177.446 176.300 -0.063 0.000 1.011 356 R CA 0.344 56.399 56.100 -0.075 0.000 1.007 356 R CB -0.220 30.053 30.300 -0.045 0.000 0.911 356 R HN 0.314 nan 8.270 nan 0.000 0.468 357 G N 1.309 110.064 108.800 -0.075 0.000 2.606 357 G HA2 -0.028 3.885 3.960 -0.079 0.000 0.252 357 G HA3 -0.028 3.885 3.960 -0.079 0.000 0.252 357 G C -0.044 174.823 174.900 -0.055 0.000 1.206 357 G CA -0.333 44.741 45.100 -0.043 0.000 0.861 357 G HN 0.240 nan 8.290 nan 0.000 0.561 358 D N -1.617 118.774 120.400 -0.014 0.000 2.336 358 D HA 0.012 4.605 4.640 -0.079 0.000 0.229 358 D C 0.417 176.722 176.300 0.008 0.000 1.061 358 D CA 0.292 54.291 54.000 -0.002 0.000 0.875 358 D CB 0.329 41.136 40.800 0.012 0.000 0.904 358 D HN 0.433 nan 8.370 nan 0.000 0.525 359 E N 0.288 120.489 120.200 0.002 0.000 2.621 359 E HA 0.247 4.550 4.350 -0.079 0.000 0.263 359 E C -1.262 175.354 176.600 0.028 0.000 1.033 359 E CA -0.527 55.899 56.400 0.043 0.000 0.778 359 E CB 1.958 31.708 29.700 0.083 0.000 1.426 359 E HN -0.038 nan 8.360 nan 0.000 0.394 360 V N 2.367 122.259 119.914 -0.038 0.000 2.607 360 V HA 0.277 4.350 4.120 -0.079 0.000 0.289 360 V C 0.101 176.324 176.094 0.214 0.000 1.053 360 V CA -0.512 61.737 62.300 -0.085 0.000 0.996 360 V CB 1.714 33.500 31.823 -0.062 0.000 0.995 360 V HN 0.309 nan 8.190 nan 0.000 0.476 361 V N 6.054 126.252 119.914 0.473 0.000 2.376 361 V HA 0.436 4.509 4.120 -0.079 0.000 0.287 361 V C -0.210 175.994 176.094 0.183 0.000 1.015 361 V CA -0.307 62.162 62.300 0.281 0.000 0.834 361 V CB 1.489 33.440 31.823 0.212 0.000 1.001 361 V HN 0.653 nan 8.190 nan 0.000 0.428 362 I N 4.678 125.281 120.570 0.054 0.000 2.297 362 I HA 0.485 4.608 4.170 -0.079 0.000 0.291 362 I C 0.967 177.009 176.117 -0.125 0.000 1.033 362 I CA -0.035 61.179 61.300 -0.143 0.000 1.253 362 I CB 1.224 39.149 38.000 -0.125 0.000 1.396 362 I HN 0.664 nan 8.210 nan 0.000 0.476 363 G N 7.650 116.356 108.800 -0.156 0.000 2.335 363 G HA2 0.715 4.628 3.960 -0.079 0.000 0.316 363 G HA3 0.715 4.628 3.960 -0.079 0.000 0.316 363 G C -0.592 174.242 174.900 -0.110 0.000 1.129 363 G CA -0.383 44.656 45.100 -0.102 0.000 0.899 363 G HN 0.502 nan 8.290 nan 0.000 0.448 364 I N 1.729 122.254 120.570 -0.074 0.000 2.569 364 I HA 0.367 4.490 4.170 -0.079 0.000 0.296 364 I C -1.126 174.972 176.117 -0.033 0.000 1.028 364 I CA -0.793 60.474 61.300 -0.056 0.000 1.082 364 I CB 2.674 40.645 38.000 -0.049 0.000 1.264 364 I HN 0.335 nan 8.210 nan 0.000 0.429 365 D N 6.398 126.785 120.400 -0.021 0.000 2.620 365 D HA 0.302 4.895 4.640 -0.079 0.000 0.252 365 D C 0.258 176.557 176.300 -0.002 0.000 1.207 365 D CA -0.390 53.602 54.000 -0.014 0.000 0.884 365 D CB 1.928 42.717 40.800 -0.019 0.000 1.262 365 D HN 0.460 nan 8.370 nan 0.000 0.552 366 L N 2.795 124.017 121.223 -0.001 0.000 2.492 366 L HA 0.214 4.507 4.340 -0.079 0.000 0.223 366 L C 1.278 178.150 176.870 0.003 0.000 1.132 366 L CA 0.312 55.155 54.840 0.004 0.000 0.850 366 L CB -0.370 41.689 42.059 0.001 0.000 0.966 366 L HN 0.641 nan 8.230 nan 0.000 0.454 367 A N 0.740 123.559 122.820 -0.003 0.000 2.303 367 A HA -0.201 4.071 4.320 -0.079 0.000 0.286 367 A C 0.696 178.278 177.584 -0.004 0.000 1.429 367 A CA 1.030 53.063 52.037 -0.006 0.000 0.738 367 A CB -1.901 17.094 19.000 -0.008 0.000 1.149 367 A HN 0.528 nan 8.150 nan 0.000 0.364 368 I N -2.297 118.271 120.570 -0.004 0.000 4.738 368 I HA 0.534 4.657 4.170 -0.079 0.000 0.315 368 I C 1.046 177.161 176.117 -0.003 0.000 1.214 368 I CA 0.698 61.997 61.300 -0.003 0.000 1.337 368 I CB 0.522 38.521 38.000 -0.002 0.000 1.433 368 I HN 1.051 nan 8.210 nan 0.000 0.472 369 A N 0.415 123.233 122.820 -0.002 0.000 4.028 369 A HA 0.529 4.802 4.320 -0.079 0.000 0.281 369 A C -0.546 177.037 177.584 -0.001 0.000 1.061 369 A CA 0.417 52.453 52.037 -0.002 0.000 0.580 369 A CB -0.492 18.508 19.000 -0.000 0.000 1.662 369 A HN 0.031 nan 8.150 nan 0.000 0.781 370 D N -0.037 120.364 120.400 0.001 0.000 2.342 370 D HA 0.459 5.052 4.640 -0.079 0.000 0.221 370 D C 0.809 177.115 176.300 0.010 0.000 1.101 370 D CA 0.617 54.619 54.000 0.003 0.000 0.837 370 D CB -0.076 40.725 40.800 0.001 0.000 0.938 370 D HN 1.330 nan 8.370 nan 0.000 0.508 371 G N -0.194 108.614 108.800 0.013 0.000 2.343 371 G HA2 0.555 4.468 3.960 -0.079 0.000 0.254 371 G HA3 0.555 4.468 3.960 -0.079 0.000 0.254 371 G C 0.003 174.924 174.900 0.035 0.000 1.277 371 G CA 0.717 45.832 45.100 0.025 0.000 0.909 371 G HN 1.067 nan 8.290 nan 0.000 0.502 372 A N 1.782 124.638 122.820 0.060 0.000 2.589 372 A HA 0.828 5.101 4.320 -0.079 0.000 0.296 372 A C -1.631 176.042 177.584 0.148 0.000 1.062 372 A CA -0.597 51.483 52.037 0.071 0.000 0.686 372 A CB 1.639 20.653 19.000 0.024 0.000 1.282 372 A HN 1.259 nan 8.150 nan 0.000 0.404 373 F N -0.041 119.882 119.950 -0.045 0.000 2.719 373 F HA 0.703 5.181 4.527 -0.081 0.000 0.309 373 F C -0.706 175.041 175.800 -0.088 0.000 1.138 373 F CA 0.089 58.056 58.000 -0.055 0.000 0.943 373 F CB 2.023 40.991 39.000 -0.054 0.000 1.304 373 F HN 0.611 nan 8.300 nan 0.000 0.445 374 T N 3.421 117.841 114.554 -0.224 0.000 2.893 374 T HA 0.684 4.987 4.350 -0.079 0.000 0.293 374 T C -1.270 173.310 174.700 -0.201 0.000 1.027 374 T CA -0.547 61.437 62.100 -0.193 0.000 0.988 374 T CB 1.641 70.317 68.868 -0.320 0.000 1.043 374 T HN 0.696 nan 8.240 nan 0.000 0.461 375 V N 0.805 120.567 119.914 -0.253 0.000 2.960 375 V HA 0.791 4.864 4.120 -0.079 0.000 0.315 375 V C -1.751 174.013 176.094 -0.549 0.000 1.087 375 V CA -1.118 61.032 62.300 -0.250 0.000 0.982 375 V CB 1.488 33.297 31.823 -0.025 0.000 1.039 375 V HN 0.853 nan 8.190 nan 0.000 0.437 376 Y N 1.140 121.467 120.300 0.046 0.000 2.393 376 Y HA 0.910 5.414 4.550 -0.077 0.000 0.341 376 Y C 0.756 176.674 175.900 0.031 0.000 0.988 376 Y CA 0.184 58.300 58.100 0.026 0.000 1.078 376 Y CB 2.523 40.983 38.460 0.001 0.000 1.203 376 Y HN 1.185 nan 8.280 nan 0.000 0.453 377 G N 0.005 108.919 108.800 0.189 0.000 2.706 377 G HA2 0.592 4.505 3.960 -0.079 0.000 0.307 377 G HA3 0.592 4.505 3.960 -0.079 0.000 0.307 377 G C -1.340 173.621 174.900 0.102 0.000 1.307 377 G CA -0.454 44.715 45.100 0.116 0.000 0.790 377 G HN 0.971 nan 8.290 nan 0.000 0.503 378 C N -0.932 118.409 119.300 0.068 0.000 3.336 378 C HA 0.906 5.319 4.460 -0.079 0.000 0.352 378 C C -0.919 174.094 174.990 0.038 0.000 1.567 378 C CA -0.501 58.554 59.018 0.061 0.000 1.328 378 C CB 1.386 29.164 27.740 0.063 0.000 1.922 378 C HN 0.940 nan 8.230 nan 0.000 0.439 379 D N 0.722 121.148 120.400 0.042 0.000 2.340 379 D HA 0.519 5.112 4.640 -0.079 0.000 0.251 379 D C -0.687 175.587 176.300 -0.045 0.000 1.080 379 D CA -0.366 53.651 54.000 0.029 0.000 0.971 379 D CB 0.999 41.861 40.800 0.104 0.000 1.137 379 D HN 0.659 nan 8.370 nan 0.000 0.475 380 L N 0.642 121.805 121.223 -0.100 0.000 2.312 380 L HA 0.559 4.852 4.340 -0.079 0.000 0.281 380 L C -0.107 176.572 176.870 -0.320 0.000 1.070 380 L CA 0.271 54.995 54.840 -0.193 0.000 0.805 380 L CB 1.094 43.039 42.059 -0.191 0.000 1.174 380 L HN 0.819 nan 8.230 nan 0.000 0.434 381 T N -0.378 114.006 114.554 -0.284 0.000 2.841 381 T HA 0.405 4.708 4.350 -0.079 0.000 0.296 381 T C 0.570 175.179 174.700 -0.152 0.000 1.166 381 T CA -0.565 61.267 62.100 -0.447 0.000 1.007 381 T CB 0.941 69.555 68.868 -0.422 0.000 1.253 381 T HN 0.638 nan 8.240 nan 0.000 0.511 382 E N 0.352 120.478 120.200 -0.122 0.000 2.153 382 E HA -0.033 4.270 4.350 -0.079 0.000 0.194 382 E C 2.169 178.776 176.600 0.011 0.000 0.988 382 E CA 1.154 57.542 56.400 -0.020 0.000 0.811 382 E CB -0.574 29.130 29.700 0.006 0.000 0.746 382 E HN 0.830 nan 8.360 nan 0.000 0.466 383 G N 0.819 109.623 108.800 0.007 0.000 2.446 383 G HA2 -0.328 3.585 3.960 -0.079 0.000 0.217 383 G HA3 -0.328 3.585 3.960 -0.079 0.000 0.217 383 G C 1.376 176.292 174.900 0.027 0.000 1.168 383 G CA 0.966 46.076 45.100 0.017 0.000 0.771 383 G HN 0.285 nan 8.290 nan 0.000 0.551 384 Y N 1.270 121.536 120.300 -0.056 0.000 2.128 384 Y HA -0.174 4.330 4.550 -0.078 0.000 0.284 384 Y C 2.903 178.780 175.900 -0.038 0.000 1.154 384 Y CA 1.821 59.894 58.100 -0.045 0.000 1.149 384 Y CB -0.418 38.009 38.460 -0.054 0.000 0.976 384 Y HN 0.042 nan 8.280 nan 0.000 0.505 385 V N 0.289 120.333 119.914 0.218 0.000 2.407 385 V HA -0.294 3.779 4.120 -0.079 0.000 0.248 385 V C 2.453 178.554 176.094 0.013 0.000 1.055 385 V CA 2.179 64.557 62.300 0.130 0.000 1.049 385 V CB -0.685 31.193 31.823 0.092 0.000 0.662 385 V HN 0.272 nan 8.190 nan 0.000 0.455 386 R N -0.300 120.197 120.500 -0.004 0.000 2.070 386 R HA -0.117 4.176 4.340 -0.079 0.000 0.233 386 R C 2.245 178.511 176.300 -0.057 0.000 1.137 386 R CA 1.690 57.776 56.100 -0.024 0.000 0.945 386 R CB -0.424 29.867 30.300 -0.015 0.000 0.845 386 R HN 0.425 nan 8.270 nan 0.000 0.430 387 L N 0.426 121.591 121.223 -0.097 0.000 2.017 387 L HA -0.194 4.099 4.340 -0.079 0.000 0.208 387 L C 1.607 178.383 176.870 -0.156 0.000 1.073 387 L CA 1.232 55.994 54.840 -0.130 0.000 0.745 387 L CB -0.406 41.549 42.059 -0.173 0.000 0.894 387 L HN 0.234 nan 8.230 nan 0.000 0.432 388 N N -0.389 118.172 118.700 -0.232 0.000 2.461 388 N HA -0.007 4.686 4.740 -0.079 0.000 0.188 388 N C 1.509 176.963 175.510 -0.093 0.000 1.134 388 N CA 1.011 53.942 53.050 -0.199 0.000 0.878 388 N CB 0.356 38.651 38.487 -0.320 0.000 0.972 388 N HN 0.418 nan 8.380 nan 0.000 0.456 389 S N -0.231 115.429 115.700 -0.066 0.000 2.540 389 S HA 0.248 4.670 4.470 -0.079 0.000 0.222 389 S C 0.973 175.554 174.600 -0.031 0.000 1.008 389 S CA 0.048 58.228 58.200 -0.033 0.000 0.939 389 S CB 0.168 63.359 63.200 -0.015 0.000 0.865 389 S HN 0.363 nan 8.310 nan 0.000 0.499 390 E N 0.000 120.176 120.200 -0.040 0.000 2.725 390 E HA 0.000 4.303 4.350 -0.079 0.000 0.291 390 E CA 0.000 56.381 56.400 -0.031 0.000 0.976 390 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 390 E HN 0.000 nan 8.360 nan 0.000 0.440