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 1pp9_1_B DATA FIRST_RESID 12 DATA SEQUENCE EXXXXVPPHP QDLEFTRLPN GLVIASLENY APASRIGLFI KAGSRYENSN DATA SEQUENCE NLGTSHLLRL ASSLTTKGAS SFKITRGIEA VGGKLSVTST RENMAYTVEC DATA SEQUENCE LRDDVDILME FLLNVTTAPE FRRWEVAALQ PQLRIDKAVA LQNPQAHVIE DATA SEQUENCE NLHAAAYRNA LANSLYCPDY RIGKVTPVEL HDYVQNHFTS ARMALIGLGV DATA SEQUENCE SHPVLKQVAE QFLNIRGGLG LSGAKAKYHG GEIREQNGDS LVHAALVAES DATA SEQUENCE AAIGSAEANA FSVLQHVLGA GPHVKRGSNA TSSLYQAVAK GVHQPFDVSA DATA SEQUENCE FNASYSDSGL FGFYTISQAA SAGDVIKAAY NQVKTIAQGN LSNPDVQAAK DATA SEQUENCE NKLKAGYLMS VESSEGFLDE VGSQALAAGS YTPPSTVLQQ IDAVADADVI DATA SEQUENCE NAAKKFVSGR KSMAASGNLG HTPFIDEL 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.602 176.600 0.003 0.000 1.382 12 E CA 0.000 56.401 56.400 0.001 0.000 0.976 12 E CB 0.000 29.700 29.700 0.000 0.000 0.812 18 P HA 0.489 nan 4.420 nan 0.000 0.279 18 P C -2.255 175.071 177.300 0.043 0.000 1.239 18 P CA -0.745 62.371 63.100 0.025 0.000 0.789 18 P CB 0.393 32.108 31.700 0.026 0.000 0.933 19 P HA 0.208 nan 4.420 nan 0.000 0.000 19 P C -0.059 177.363 177.300 0.204 0.000 0.000 19 P CA 0.679 63.844 63.100 0.109 0.000 0.000 19 P CB -0.041 31.699 31.700 0.066 0.000 0.000 20 H N -1.824 nan 119.070 nan 0.000 0.000 20 H HA 0.321 4.877 4.556 -0.000 0.000 0.000 20 H C -2.786 172.575 175.328 0.054 0.000 0.000 20 H CA -1.604 54.511 56.048 0.113 0.000 0.000 20 H CB -0.065 29.776 29.762 0.131 0.000 0.000 20 H HN 0.209 nan 8.280 nan 0.000 0.000 21 P HA 0.108 nan 4.420 nan 0.000 0.282 21 P C -0.876 176.517 177.300 0.155 0.000 1.274 21 P CA -0.047 63.133 63.100 0.133 0.000 0.770 21 P CB 1.735 33.469 31.700 0.055 0.000 0.867 22 Q N 1.770 121.667 119.800 0.162 0.000 2.414 22 Q HA 0.202 4.542 4.340 -0.000 0.000 0.206 22 Q C -0.474 175.563 176.000 0.062 0.000 1.058 22 Q CA -0.150 55.731 55.803 0.130 0.000 1.025 22 Q CB 0.514 29.288 28.738 0.060 0.000 1.196 22 Q HN 0.487 nan 8.270 nan 0.000 0.586 23 D N 0.070 120.502 120.400 0.053 0.000 2.299 23 D HA 0.331 4.971 4.640 -0.000 0.000 0.243 23 D C -0.940 175.371 176.300 0.019 0.000 0.982 23 D CA -0.609 53.421 54.000 0.050 0.000 0.924 23 D CB 1.172 42.009 40.800 0.062 0.000 1.238 23 D HN 0.262 nan 8.370 nan 0.000 0.484 24 L N 1.146 122.384 121.223 0.025 0.000 2.453 24 L HA 0.190 4.530 4.340 -0.000 0.000 0.272 24 L C -0.341 176.508 176.870 -0.036 0.000 1.182 24 L CA 0.160 54.980 54.840 -0.034 0.000 0.858 24 L CB 0.271 42.214 42.059 -0.194 0.000 1.120 24 L HN 0.341 nan 8.230 nan 0.000 0.474 25 E N 4.752 124.889 120.200 -0.105 0.000 2.179 25 E HA 0.332 4.682 4.350 -0.000 0.000 0.275 25 E C -1.527 174.963 176.600 -0.183 0.000 0.945 25 E CA -0.544 55.699 56.400 -0.262 0.000 0.792 25 E CB 2.294 31.618 29.700 -0.627 0.000 1.125 25 E HN 0.377 nan 8.360 nan 0.000 0.397 26 F N 1.237 121.051 119.950 -0.227 0.000 2.540 26 F HA 0.436 4.963 4.527 -0.000 0.000 0.317 26 F C -0.907 174.920 175.800 0.045 0.000 1.104 26 F CA -0.292 57.688 58.000 -0.032 0.000 0.913 26 F CB 2.179 41.182 39.000 0.005 0.000 1.170 26 F HN 0.218 nan 8.300 nan 0.000 0.450 27 T N 5.503 120.217 114.554 0.268 0.000 3.032 27 T HA 0.394 4.744 4.350 -0.000 0.000 0.312 27 T C -1.324 173.457 174.700 0.135 0.000 1.078 27 T CA -0.719 61.543 62.100 0.270 0.000 1.028 27 T CB 1.840 70.869 68.868 0.269 0.000 1.091 27 T HN 0.659 nan 8.240 nan 0.000 0.457 28 R N 3.444 124.060 120.500 0.193 0.000 2.393 28 R HA 0.617 4.957 4.340 -0.000 0.000 0.315 28 R C -0.615 175.731 176.300 0.077 0.000 0.952 28 R CA -0.654 55.523 56.100 0.129 0.000 0.842 28 R CB 0.647 31.059 30.300 0.186 0.000 1.163 28 R HN 0.568 nan 8.270 nan 0.000 0.450 29 L N 5.870 127.114 121.223 0.036 0.000 2.456 29 L HA 0.299 4.639 4.340 -0.000 0.000 0.257 29 L C -1.390 175.494 176.870 0.023 0.000 1.162 29 L CA -2.043 52.810 54.840 0.021 0.000 0.808 29 L CB 0.797 42.855 42.059 -0.002 0.000 1.136 29 L HN 0.517 nan 8.230 nan 0.000 0.466 30 P HA -0.150 nan 4.420 nan 0.000 0.218 30 P C 0.643 177.950 177.300 0.011 0.000 1.148 30 P CA 1.138 64.247 63.100 0.014 0.000 0.822 30 P CB -0.037 31.667 31.700 0.007 0.000 0.784 31 N N -1.296 117.407 118.700 0.005 0.000 2.521 31 N HA 0.041 4.781 4.740 -0.000 0.000 0.188 31 N C 1.242 176.757 175.510 0.008 0.000 1.146 31 N CA 1.018 54.070 53.050 0.003 0.000 0.893 31 N CB -1.034 37.450 38.487 -0.003 0.000 0.975 31 N HN 0.211 nan 8.380 nan 0.000 0.451 32 G N -0.716 108.094 108.800 0.016 0.000 2.217 32 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.246 32 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.246 32 G C -0.224 174.688 174.900 0.019 0.000 0.990 32 G CA 0.174 45.288 45.100 0.024 0.000 0.627 32 G HN 0.519 nan 8.290 nan 0.000 0.522 33 L N 1.938 123.164 121.223 0.005 0.000 2.416 33 L HA 0.638 4.978 4.340 -0.000 0.000 0.272 33 L C 0.476 177.329 176.870 -0.029 0.000 1.161 33 L CA -0.269 54.564 54.840 -0.012 0.000 0.845 33 L CB 1.306 43.354 42.059 -0.019 0.000 1.119 33 L HN 0.082 nan 8.230 nan 0.000 0.464 34 V N 6.494 126.369 119.914 -0.066 0.000 2.472 34 V HA 0.437 4.557 4.120 -0.000 0.000 0.290 34 V C -0.220 175.735 176.094 -0.232 0.000 1.037 34 V CA -0.387 61.811 62.300 -0.171 0.000 0.908 34 V CB 1.600 33.284 31.823 -0.231 0.000 0.985 34 V HN 0.589 nan 8.190 nan 0.000 0.454 35 I N 4.156 124.555 120.570 -0.285 0.000 2.439 35 I HA 0.752 4.922 4.170 -0.000 0.000 0.285 35 I C 0.096 176.081 176.117 -0.219 0.000 1.021 35 I CA -0.147 61.020 61.300 -0.221 0.000 1.091 35 I CB 1.772 39.653 38.000 -0.198 0.000 1.242 35 I HN 0.672 nan 8.210 nan 0.000 0.439 36 A N 4.480 127.165 122.820 -0.224 0.000 2.414 36 A HA 0.984 5.304 4.320 -0.000 0.000 0.306 36 A C -0.507 177.055 177.584 -0.037 0.000 1.054 36 A CA -0.378 51.558 52.037 -0.168 0.000 0.724 36 A CB 1.631 20.409 19.000 -0.371 0.000 1.267 36 A HN 0.731 nan 8.150 nan 0.000 0.418 37 S N 0.380 116.111 115.700 0.052 0.000 2.588 37 S HA 0.756 5.226 4.470 -0.000 0.000 0.269 37 S C -1.601 173.022 174.600 0.039 0.000 1.157 37 S CA -0.640 57.597 58.200 0.061 0.000 0.824 37 S CB 1.370 64.644 63.200 0.124 0.000 1.126 37 S HN 1.927 nan 8.310 nan 0.000 0.464 38 L N 1.198 122.448 121.223 0.044 0.000 2.482 38 L HA 0.728 5.068 4.340 -0.000 0.000 0.269 38 L C -0.987 175.842 176.870 -0.069 0.000 0.967 38 L CA -0.270 54.576 54.840 0.010 0.000 0.851 38 L CB 1.831 43.945 42.059 0.092 0.000 1.242 38 L HN 0.939 nan 8.230 nan 0.000 0.404 39 E N 2.842 122.947 120.200 -0.158 0.000 1.941 39 E HA 0.220 4.569 4.350 -0.000 0.000 0.275 39 E C 0.122 176.452 176.600 -0.449 0.000 1.113 39 E CA -0.022 56.178 56.400 -0.334 0.000 0.878 39 E CB 0.354 29.788 29.700 -0.443 0.000 1.070 39 E HN 0.610 nan 8.360 nan 0.000 0.399 40 N N 3.509 122.025 118.700 -0.307 0.000 2.280 40 N HA -0.073 4.667 4.740 -0.000 0.000 0.192 40 N C -0.408 175.048 175.510 -0.090 0.000 1.109 40 N CA -0.251 52.685 53.050 -0.189 0.000 0.855 40 N CB -0.391 38.027 38.487 -0.116 0.000 0.974 40 N HN 0.453 nan 8.380 nan 0.000 0.482 41 Y N -1.280 118.988 120.300 -0.053 0.000 4.409 41 Y HA -0.291 4.259 4.550 -0.000 0.000 0.228 41 Y C 0.865 176.745 175.900 -0.032 0.000 1.108 41 Y CA -0.036 58.034 58.100 -0.050 0.000 1.955 41 Y CB -2.352 36.065 38.460 -0.071 0.000 1.615 41 Y HN 0.414 nan 8.280 nan 0.000 0.665 42 A N 0.046 122.898 122.820 0.054 0.000 2.406 42 A HA 0.414 4.734 4.320 -0.000 0.000 0.243 42 A C -0.782 176.826 177.584 0.040 0.000 1.082 42 A CA -0.487 51.573 52.037 0.039 0.000 0.786 42 A CB 0.200 19.206 19.000 0.009 0.000 1.029 42 A HN 0.092 nan 8.150 nan 0.000 0.495 43 P HA 0.065 nan 4.420 nan 0.000 0.221 43 P C 0.227 177.540 177.300 0.022 0.000 1.150 43 P CA 1.665 64.782 63.100 0.028 0.000 0.800 43 P CB 0.201 31.914 31.700 0.022 0.000 0.787 44 A N -1.237 121.594 122.820 0.018 0.000 2.354 44 A HA 0.686 5.006 4.320 -0.000 0.000 0.321 44 A C -0.174 177.419 177.584 0.015 0.000 1.125 44 A CA -0.306 51.740 52.037 0.016 0.000 0.799 44 A CB 1.120 20.130 19.000 0.016 0.000 1.293 44 A HN -0.081 nan 8.150 nan 0.000 0.452 45 S N -0.158 115.552 115.700 0.016 0.000 2.600 45 S HA 0.741 5.211 4.470 -0.000 0.000 0.300 45 S C -0.466 174.150 174.600 0.027 0.000 1.087 45 S CA -0.704 57.506 58.200 0.016 0.000 0.965 45 S CB 1.565 64.772 63.200 0.011 0.000 1.089 45 S HN 0.619 nan 8.310 nan 0.000 0.496 46 R N 1.373 121.895 120.500 0.036 0.000 2.502 46 R HA 0.521 4.861 4.340 -0.000 0.000 0.300 46 R C -1.562 174.772 176.300 0.057 0.000 0.984 46 R CA -0.490 55.640 56.100 0.050 0.000 0.882 46 R CB 1.013 31.354 30.300 0.068 0.000 1.180 46 R HN 0.447 nan 8.270 nan 0.000 0.444 47 I N 2.033 122.635 120.570 0.054 0.000 2.465 47 I HA 0.500 4.670 4.170 -0.000 0.000 0.291 47 I C 0.350 176.511 176.117 0.073 0.000 1.014 47 I CA -0.780 60.555 61.300 0.059 0.000 1.093 47 I CB 1.699 39.721 38.000 0.037 0.000 1.267 47 I HN 0.698 nan 8.210 nan 0.000 0.431 48 G N 5.475 114.350 108.800 0.125 0.000 2.617 48 G HA2 0.599 4.559 3.960 -0.000 0.000 0.306 48 G HA3 0.599 4.559 3.960 -0.000 0.000 0.306 48 G C -1.819 173.172 174.900 0.153 0.000 1.360 48 G CA -0.451 44.712 45.100 0.105 0.000 0.983 48 G HN 0.390 nan 8.290 nan 0.000 0.496 49 L N 2.411 123.640 121.223 0.011 0.000 2.276 49 L HA 0.708 5.048 4.340 -0.000 0.000 0.286 49 L C -1.342 175.498 176.870 -0.051 0.000 1.024 49 L CA -1.164 53.701 54.840 0.043 0.000 0.826 49 L CB 0.217 42.260 42.059 -0.027 0.000 1.211 49 L HN 0.312 nan 8.230 nan 0.000 0.422 50 F N 5.913 125.841 119.950 -0.037 0.000 2.404 50 F HA 0.589 5.116 4.527 -0.000 0.000 0.345 50 F C 0.267 176.021 175.800 -0.076 0.000 1.110 50 F CA -0.270 57.708 58.000 -0.037 0.000 1.130 50 F CB 0.986 39.968 39.000 -0.031 0.000 1.129 50 F HN 0.270 nan 8.300 nan 0.000 0.500 51 I N 2.438 123.020 120.570 0.021 0.000 2.647 51 I HA 0.300 4.470 4.170 -0.000 0.000 0.295 51 I C -0.468 175.655 176.117 0.010 0.000 1.078 51 I CA -1.097 60.157 61.300 -0.077 0.000 1.048 51 I CB 2.282 40.056 38.000 -0.377 0.000 1.239 51 I HN 0.388 nan 8.210 nan 0.000 0.421 52 K N 4.318 124.720 120.400 0.003 0.000 2.155 52 K HA 0.443 4.763 4.320 -0.000 0.000 0.240 52 K C 0.265 176.820 176.600 -0.075 0.000 1.193 52 K CA -0.016 56.292 56.287 0.036 0.000 1.104 52 K CB 0.366 32.845 32.500 -0.035 0.000 1.558 52 K HN 0.741 nan 8.250 nan 0.000 0.313 53 A N 1.484 124.383 122.820 0.130 0.000 2.592 53 A HA 0.241 4.561 4.320 -0.000 0.000 0.290 53 A C 0.737 178.559 177.584 0.396 0.000 0.998 53 A CA -0.432 51.732 52.037 0.213 0.000 0.983 53 A CB 0.521 19.758 19.000 0.395 0.000 1.240 53 A HN 0.577 nan 8.150 nan 0.000 0.535 54 G N 0.027 109.036 108.800 0.349 0.000 2.716 54 G HA2 0.314 4.274 3.960 -0.000 0.000 0.251 54 G HA3 0.314 4.274 3.960 -0.000 0.000 0.251 54 G C 1.249 176.215 174.900 0.110 0.000 1.224 54 G CA 0.463 45.657 45.100 0.157 0.000 0.891 54 G HN 0.881 nan 8.290 nan 0.000 0.561 55 S N -0.452 115.226 115.700 -0.036 0.000 2.440 55 S HA -0.248 4.222 4.470 -0.000 0.000 0.240 55 S C 2.078 176.605 174.600 -0.123 0.000 1.014 55 S CA 1.497 59.652 58.200 -0.075 0.000 0.980 55 S CB -0.362 62.749 63.200 -0.148 0.000 0.775 55 S HN 0.838 nan 8.310 nan 0.000 0.499 56 R N -0.038 120.297 120.500 -0.275 0.000 2.193 56 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 56 R C 1.094 177.128 176.300 -0.444 0.000 1.110 56 R CA 1.386 57.234 56.100 -0.420 0.000 0.988 56 R CB -0.786 29.148 30.300 -0.610 0.000 0.871 56 R HN 0.504 nan 8.270 nan 0.000 0.458 57 Y N 1.409 121.691 120.300 -0.030 0.000 2.490 57 Y HA 0.230 4.780 4.550 -0.000 0.000 0.281 57 Y C 0.216 176.153 175.900 0.062 0.000 1.174 57 Y CA -0.286 57.784 58.100 -0.051 0.000 1.295 57 Y CB 0.024 38.281 38.460 -0.339 0.000 1.062 57 Y HN 0.150 nan 8.280 nan 0.000 0.522 58 E N 1.137 121.454 120.200 0.196 0.000 2.318 58 E HA 0.165 4.515 4.350 -0.000 0.000 0.265 58 E C -0.199 176.473 176.600 0.120 0.000 1.069 58 E CA -0.521 56.010 56.400 0.217 0.000 0.893 58 E CB 0.613 30.375 29.700 0.104 0.000 1.076 58 E HN 0.286 nan 8.360 nan 0.000 0.414 59 N N -1.199 117.573 118.700 0.120 0.000 2.890 59 N HA 0.057 4.797 4.740 -0.000 0.000 0.317 59 N C 0.328 175.883 175.510 0.076 0.000 1.355 59 N CA -0.588 52.513 53.050 0.084 0.000 0.803 59 N CB 0.532 39.070 38.487 0.086 0.000 1.465 59 N HN 0.317 nan 8.380 nan 0.000 0.591 60 S N -1.191 114.549 115.700 0.068 0.000 2.537 60 S HA -0.074 4.396 4.470 -0.000 0.000 0.240 60 S C 0.471 175.130 174.600 0.097 0.000 0.981 60 S CA 0.507 58.756 58.200 0.081 0.000 0.948 60 S CB -0.683 62.556 63.200 0.065 0.000 0.759 60 S HN 0.549 nan 8.310 nan 0.000 0.531 61 N N 2.726 121.475 118.700 0.082 0.000 2.392 61 N HA 0.045 4.785 4.740 -0.000 0.000 0.177 61 N C 0.435 175.986 175.510 0.069 0.000 1.066 61 N CA 0.746 53.844 53.050 0.080 0.000 0.895 61 N CB -0.093 38.432 38.487 0.064 0.000 0.988 61 N HN 0.826 nan 8.380 nan 0.000 0.457 62 N N 0.259 118.997 118.700 0.063 0.000 2.451 62 N HA 0.062 4.802 4.740 -0.000 0.000 0.271 62 N C -0.482 175.020 175.510 -0.014 0.000 1.410 62 N CA -0.182 52.885 53.050 0.028 0.000 0.884 62 N CB -0.477 38.050 38.487 0.067 0.000 1.332 62 N HN -0.016 nan 8.380 nan 0.000 0.498 63 L N 0.489 121.707 121.223 -0.009 0.000 2.559 63 L HA 0.206 4.546 4.340 -0.000 0.000 0.282 63 L C 1.573 178.371 176.870 -0.120 0.000 1.232 63 L CA 1.453 56.267 54.840 -0.044 0.000 0.885 63 L CB 0.095 42.151 42.059 -0.005 0.000 1.131 63 L HN 0.556 nan 8.230 nan 0.000 0.498 64 G N 1.459 110.190 108.800 -0.114 0.000 2.217 64 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.246 64 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.246 64 G C 0.874 175.670 174.900 -0.174 0.000 0.990 64 G CA 0.469 45.500 45.100 -0.114 0.000 0.627 64 G HN 0.619 nan 8.290 nan 0.000 0.522 65 T N 1.615 116.025 114.554 -0.239 0.000 2.720 65 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 65 T C 2.733 177.138 174.700 -0.492 0.000 1.037 65 T CA 2.825 64.713 62.100 -0.354 0.000 1.144 65 T CB -0.432 68.224 68.868 -0.354 0.000 0.864 65 T HN 1.259 nan 8.240 nan 0.000 0.444 66 S N 0.447 115.787 115.700 -0.600 0.000 2.481 66 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 66 S C 1.783 176.271 174.600 -0.186 0.000 0.996 66 S CA 0.881 58.775 58.200 -0.510 0.000 0.942 66 S CB -0.680 62.263 63.200 -0.429 0.000 0.768 66 S HN 0.775 nan 8.310 nan 0.000 0.520 67 H N 0.291 119.202 119.070 -0.266 0.000 2.343 67 H HA 0.097 4.653 4.556 -0.000 0.000 0.303 67 H C 2.141 177.374 175.328 -0.158 0.000 1.068 67 H CA 1.056 56.983 56.048 -0.201 0.000 1.359 67 H CB -0.121 29.538 29.762 -0.171 0.000 1.402 67 H HN 0.375 nan 8.280 nan 0.000 0.515 68 L N 0.938 122.039 121.223 -0.204 0.000 2.083 68 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 68 L C 2.330 179.110 176.870 -0.150 0.000 1.083 68 L CA 1.092 55.781 54.840 -0.252 0.000 0.752 68 L CB -0.776 41.126 42.059 -0.263 0.000 0.899 68 L HN 0.353 nan 8.230 nan 0.000 0.433 69 L N -0.071 121.059 121.223 -0.154 0.000 2.042 69 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 69 L C 2.744 179.650 176.870 0.061 0.000 1.076 69 L CA 2.051 56.860 54.840 -0.053 0.000 0.749 69 L CB -0.724 41.291 42.059 -0.073 0.000 0.893 69 L HN 0.383 nan 8.230 nan 0.000 0.432 70 R N -0.715 119.794 120.500 0.015 0.000 2.120 70 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 70 R C 1.954 178.253 176.300 -0.002 0.000 1.123 70 R CA 1.611 57.703 56.100 -0.013 0.000 0.975 70 R CB -0.279 30.008 30.300 -0.022 0.000 0.866 70 R HN 0.492 nan 8.270 nan 0.000 0.446 71 L N -0.242 120.985 121.223 0.007 0.000 2.591 71 L HA 0.182 4.522 4.340 -0.000 0.000 0.228 71 L C 1.598 178.471 176.870 0.006 0.000 1.133 71 L CA 0.295 55.132 54.840 -0.006 0.000 0.880 71 L CB 0.200 42.226 42.059 -0.055 0.000 1.033 71 L HN 0.209 nan 8.230 nan 0.000 0.450 72 A N -0.458 122.389 122.820 0.046 0.000 2.423 72 A HA 0.068 4.388 4.320 -0.000 0.000 0.246 72 A C 2.122 179.779 177.584 0.121 0.000 1.278 72 A CA 0.509 52.599 52.037 0.089 0.000 0.903 72 A CB -0.182 18.909 19.000 0.152 0.000 0.997 72 A HN 0.359 nan 8.150 nan 0.000 0.510 73 S N -0.737 115.040 115.700 0.128 0.000 2.465 73 S HA -0.118 4.351 4.470 -0.000 0.000 0.241 73 S C 1.666 176.302 174.600 0.061 0.000 1.000 73 S CA 1.796 60.094 58.200 0.163 0.000 0.964 73 S CB -0.338 62.967 63.200 0.175 0.000 0.763 73 S HN 0.406 nan 8.310 nan 0.000 0.512 74 S N 0.047 115.757 115.700 0.018 0.000 2.556 74 S HA 0.412 4.882 4.470 -0.000 0.000 0.216 74 S C 0.565 175.145 174.600 -0.033 0.000 0.970 74 S CA -0.582 57.600 58.200 -0.030 0.000 0.912 74 S CB -0.443 62.734 63.200 -0.039 0.000 0.790 74 S HN 0.478 nan 8.310 nan 0.000 0.504 75 L N 1.941 123.151 121.223 -0.022 0.000 2.472 75 L HA 0.214 4.554 4.340 -0.000 0.000 0.260 75 L C 0.807 177.633 176.870 -0.073 0.000 1.209 75 L CA -0.360 54.456 54.840 -0.040 0.000 0.817 75 L CB -0.046 41.991 42.059 -0.037 0.000 1.106 75 L HN 0.054 nan 8.230 nan 0.000 0.479 76 T N 0.844 115.359 114.554 -0.066 0.000 2.946 76 T HA 0.162 4.512 4.350 -0.000 0.000 0.312 76 T C 0.359 174.990 174.700 -0.115 0.000 1.066 76 T CA 0.025 62.091 62.100 -0.056 0.000 1.138 76 T CB 0.308 69.163 68.868 -0.021 0.000 1.014 76 T HN 0.836 nan 8.240 nan 0.000 0.544 77 T N -0.026 114.484 114.554 -0.074 0.000 2.888 77 T HA 0.481 4.831 4.350 -0.000 0.000 0.288 77 T C 1.045 175.719 174.700 -0.045 0.000 1.063 77 T CA -1.165 60.878 62.100 -0.094 0.000 1.010 77 T CB 1.666 70.493 68.868 -0.070 0.000 1.214 77 T HN 0.396 nan 8.240 nan 0.000 0.533 78 K N 0.014 120.388 120.400 -0.044 0.000 2.097 78 K HA 0.049 4.369 4.320 -0.000 0.000 0.206 78 K C 2.013 178.613 176.600 0.001 0.000 1.049 78 K CA 1.439 57.716 56.287 -0.017 0.000 0.933 78 K CB -0.422 32.068 32.500 -0.017 0.000 0.717 78 K HN 0.766 nan 8.250 nan 0.000 0.442 79 G N -0.353 108.447 108.800 -0.000 0.000 3.126 79 G HA2 0.356 4.316 3.960 -0.000 0.000 0.224 79 G HA3 0.356 4.316 3.960 -0.000 0.000 0.224 79 G C -0.281 174.649 174.900 0.050 0.000 1.142 79 G CA 0.186 45.291 45.100 0.008 0.000 0.759 79 G HN 0.264 nan 8.290 nan 0.000 0.550 80 A N 0.300 123.166 122.820 0.076 0.000 2.513 80 A HA 0.646 4.966 4.320 -0.000 0.000 0.296 80 A C 0.001 177.639 177.584 0.089 0.000 1.052 80 A CA -0.070 52.051 52.037 0.139 0.000 0.714 80 A CB 0.715 19.893 19.000 0.297 0.000 1.279 80 A HN 0.787 nan 8.150 nan 0.000 0.397 81 S N 1.316 117.077 115.700 0.103 0.000 2.600 81 S HA 0.359 4.829 4.470 -0.000 0.000 0.265 81 S C 1.394 176.037 174.600 0.072 0.000 1.325 81 S CA 0.495 58.752 58.200 0.095 0.000 1.002 81 S CB 1.317 64.601 63.200 0.139 0.000 0.921 81 S HN 1.624 nan 8.310 nan 0.000 0.554 82 S N 0.767 116.509 115.700 0.070 0.000 2.370 82 S HA -0.164 4.306 4.470 -0.000 0.000 0.226 82 S C 1.456 176.081 174.600 0.042 0.000 1.033 82 S CA 1.548 59.768 58.200 0.033 0.000 1.011 82 S CB -0.968 62.265 63.200 0.054 0.000 0.852 82 S HN 0.730 nan 8.310 nan 0.000 0.457 83 F N 2.069 122.001 119.950 -0.030 0.000 2.134 83 F HA -0.037 4.490 4.527 -0.000 0.000 0.299 83 F C 2.281 178.045 175.800 -0.058 0.000 1.097 83 F CA 2.111 60.092 58.000 -0.032 0.000 1.264 83 F CB -0.363 38.635 39.000 -0.004 0.000 1.001 83 F HN 0.170 nan 8.300 nan 0.000 0.479 84 K N 0.614 121.055 120.400 0.069 0.000 2.057 84 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 84 K C 2.117 178.522 176.600 -0.324 0.000 1.050 84 K CA 1.801 58.066 56.287 -0.036 0.000 0.935 84 K CB -0.303 32.292 32.500 0.159 0.000 0.715 84 K HN 0.392 nan 8.250 nan 0.000 0.439 85 I N 0.718 121.034 120.570 -0.424 0.000 2.163 85 I HA -0.301 3.869 4.170 -0.000 0.000 0.243 85 I C 2.168 177.895 176.117 -0.650 0.000 1.085 85 I CA 1.542 62.340 61.300 -0.836 0.000 1.347 85 I CB -0.443 37.278 38.000 -0.465 0.000 1.044 85 I HN 0.249 nan 8.210 nan 0.000 0.408 86 T N 0.277 114.588 114.554 -0.407 0.000 2.701 86 T HA -0.095 4.255 4.350 -0.000 0.000 0.263 86 T C 2.076 176.574 174.700 -0.337 0.000 1.040 86 T CA 0.961 62.867 62.100 -0.324 0.000 1.147 86 T CB -0.121 68.592 68.868 -0.257 0.000 0.865 86 T HN 0.152 nan 8.240 nan 0.000 0.426 87 R N 0.877 121.112 120.500 -0.441 0.000 2.081 87 R HA 0.039 4.379 4.340 -0.000 0.000 0.235 87 R C 2.758 178.938 176.300 -0.200 0.000 1.131 87 R CA 1.431 57.308 56.100 -0.372 0.000 0.960 87 R CB -1.382 28.572 30.300 -0.577 0.000 0.856 87 R HN 0.508 nan 8.270 nan 0.000 0.436 88 G N 0.698 109.391 108.800 -0.178 0.000 2.402 88 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 88 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 88 G C 1.629 176.569 174.900 0.067 0.000 1.162 88 G CA 0.321 45.447 45.100 0.044 0.000 0.777 88 G HN 0.231 nan 8.290 nan 0.000 0.539 89 I N 0.297 120.799 120.570 -0.113 0.000 2.286 89 I HA -0.076 4.094 4.170 -0.000 0.000 0.245 89 I C 2.709 178.805 176.117 -0.034 0.000 1.104 89 I CA 0.915 62.195 61.300 -0.033 0.000 1.397 89 I CB -0.168 37.755 38.000 -0.129 0.000 1.072 89 I HN 0.230 nan 8.210 nan 0.000 0.417 90 E N 1.019 121.170 120.200 -0.082 0.000 2.106 90 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 90 E C 2.345 178.924 176.600 -0.035 0.000 0.984 90 E CA 1.120 57.483 56.400 -0.062 0.000 0.806 90 E CB -0.134 29.512 29.700 -0.089 0.000 0.750 90 E HN 0.482 nan 8.360 nan 0.000 0.458 91 A N 1.322 124.124 122.820 -0.030 0.000 1.948 91 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 91 A C 2.378 179.966 177.584 0.007 0.000 1.177 91 A CA 1.772 53.805 52.037 -0.008 0.000 0.636 91 A CB -0.590 18.413 19.000 0.006 0.000 0.815 91 A HN 0.245 nan 8.150 nan 0.000 0.449 92 V N -4.065 115.860 119.914 0.018 0.000 3.596 92 V HA 0.544 4.664 4.120 -0.000 0.000 0.289 92 V C 1.277 177.379 176.094 0.014 0.000 1.336 92 V CA 0.582 62.895 62.300 0.021 0.000 1.137 92 V CB -0.873 30.971 31.823 0.035 0.000 0.966 92 V HN 1.521 nan 8.190 nan 0.000 0.428 93 G N -0.178 108.624 108.800 0.004 0.000 2.153 93 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.252 93 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.252 93 G C 0.592 175.494 174.900 0.003 0.000 0.994 93 G CA 0.319 45.419 45.100 -0.000 0.000 0.698 93 G HN 1.322 nan 8.290 nan 0.000 0.521 94 G N -0.918 107.887 108.800 0.009 0.000 2.563 94 G HA2 0.588 4.548 3.960 -0.000 0.000 0.283 94 G HA3 0.588 4.548 3.960 -0.000 0.000 0.283 94 G C -0.084 174.817 174.900 0.001 0.000 1.309 94 G CA 0.179 45.287 45.100 0.014 0.000 1.022 94 G HN 0.595 nan 8.290 nan 0.000 0.501 95 K N -1.388 119.016 120.400 0.007 0.000 2.477 95 K HA 0.595 4.915 4.320 -0.000 0.000 0.255 95 K C -2.101 174.501 176.600 0.003 0.000 0.952 95 K CA -0.799 55.486 56.287 -0.004 0.000 0.826 95 K CB 2.137 34.635 32.500 -0.003 0.000 1.331 95 K HN 0.341 nan 8.250 nan 0.000 0.437 96 L N 1.836 123.053 121.223 -0.010 0.000 2.476 96 L HA 0.561 4.901 4.340 -0.000 0.000 0.269 96 L C -1.607 175.251 176.870 -0.020 0.000 0.965 96 L CA 0.120 54.961 54.840 0.001 0.000 0.845 96 L CB 1.781 43.840 42.059 0.001 0.000 1.259 96 L HN 0.613 nan 8.230 nan 0.000 0.403 97 S N 3.790 119.469 115.700 -0.035 0.000 2.595 97 S HA 0.942 5.412 4.470 -0.000 0.000 0.281 97 S C -1.683 172.818 174.600 -0.165 0.000 1.117 97 S CA -0.438 57.714 58.200 -0.079 0.000 0.873 97 S CB 1.870 65.030 63.200 -0.067 0.000 1.108 97 S HN 0.553 nan 8.310 nan 0.000 0.477 98 V N 2.884 122.663 119.914 -0.225 0.000 2.483 98 V HA 0.579 4.699 4.120 -0.000 0.000 0.297 98 V C -0.487 175.435 176.094 -0.285 0.000 1.027 98 V CA -0.574 61.482 62.300 -0.406 0.000 0.855 98 V CB 1.564 33.073 31.823 -0.523 0.000 0.995 98 V HN 0.949 nan 8.190 nan 0.000 0.424 99 T N 3.189 117.566 114.554 -0.294 0.000 2.792 99 T HA 0.596 4.946 4.350 -0.000 0.000 0.280 99 T C -0.202 174.383 174.700 -0.192 0.000 0.990 99 T CA -0.435 61.545 62.100 -0.200 0.000 0.960 99 T CB 1.578 70.354 68.868 -0.153 0.000 0.939 99 T HN 0.624 nan 8.240 nan 0.000 0.439 100 S N 1.945 117.550 115.700 -0.159 0.000 2.536 100 S HA 0.864 5.334 4.470 -0.000 0.000 0.298 100 S C 0.151 174.686 174.600 -0.110 0.000 1.083 100 S CA -0.921 57.199 58.200 -0.134 0.000 0.995 100 S CB 1.853 64.955 63.200 -0.164 0.000 1.058 100 S HN 0.918 nan 8.310 nan 0.000 0.488 101 T N -0.973 113.543 114.554 -0.063 0.000 2.831 101 T HA 0.502 4.852 4.350 -0.000 0.000 0.287 101 T C 0.661 175.321 174.700 -0.067 0.000 1.070 101 T CA -1.019 61.060 62.100 -0.035 0.000 1.010 101 T CB 1.125 70.024 68.868 0.051 0.000 1.264 101 T HN 0.405 nan 8.240 nan 0.000 0.532 102 R N 0.102 120.546 120.500 -0.093 0.000 2.241 102 R HA -0.009 4.331 4.340 -0.000 0.000 0.224 102 R C 1.761 177.957 176.300 -0.173 0.000 1.101 102 R CA 1.441 57.420 56.100 -0.202 0.000 0.995 102 R CB -0.024 30.048 30.300 -0.380 0.000 0.870 102 R HN 0.713 nan 8.270 nan 0.000 0.463 103 E N -0.683 119.491 120.200 -0.043 0.000 2.290 103 E HA 0.074 4.424 4.350 -0.000 0.000 0.199 103 E C 0.041 176.740 176.600 0.166 0.000 0.912 103 E CA 0.268 56.684 56.400 0.028 0.000 0.924 103 E CB 0.435 30.193 29.700 0.097 0.000 0.901 103 E HN 0.355 nan 8.360 nan 0.000 0.487 104 N N 0.116 118.893 118.700 0.129 0.000 2.453 104 N HA 0.522 5.262 4.740 -0.000 0.000 0.290 104 N C -0.987 174.559 175.510 0.060 0.000 1.250 104 N CA -0.516 52.613 53.050 0.133 0.000 0.815 104 N CB 2.012 40.598 38.487 0.166 0.000 1.381 104 N HN -0.172 nan 8.380 nan 0.000 0.510 105 M N 1.170 120.784 119.600 0.024 0.000 2.327 105 M HA 0.564 5.044 4.480 -0.000 0.000 0.298 105 M C -1.552 174.641 176.300 -0.178 0.000 1.065 105 M CA -0.632 54.629 55.300 -0.066 0.000 0.916 105 M CB 2.330 34.951 32.600 0.036 0.000 1.630 105 M HN 0.637 nan 8.290 nan 0.000 0.442 106 A N 3.051 125.662 122.820 -0.348 0.000 2.332 106 A HA 0.714 5.034 4.320 -0.000 0.000 0.300 106 A C -1.876 175.430 177.584 -0.464 0.000 1.153 106 A CA -0.427 51.245 52.037 -0.608 0.000 0.764 106 A CB 0.547 18.942 19.000 -1.007 0.000 1.174 106 A HN 0.736 nan 8.150 nan 0.000 0.467 107 Y N 1.916 122.006 120.300 -0.350 0.000 2.367 107 Y HA 0.480 5.030 4.550 -0.000 0.000 0.342 107 Y C 1.148 176.932 175.900 -0.192 0.000 0.979 107 Y CA 0.159 58.144 58.100 -0.192 0.000 1.161 107 Y CB 1.634 40.027 38.460 -0.112 0.000 1.155 107 Y HN 0.686 nan 8.280 nan 0.000 0.503 108 T N 0.957 115.474 114.554 -0.061 0.000 2.863 108 T HA 0.811 5.161 4.350 -0.000 0.000 0.285 108 T C -0.715 173.991 174.700 0.009 0.000 1.009 108 T CA -0.844 61.235 62.100 -0.034 0.000 0.989 108 T CB 1.219 70.050 68.868 -0.062 0.000 1.004 108 T HN 0.455 nan 8.240 nan 0.000 0.455 109 V N -0.390 119.541 119.914 0.029 0.000 2.823 109 V HA 0.871 4.991 4.120 -0.000 0.000 0.312 109 V C -0.975 175.139 176.094 0.032 0.000 1.072 109 V CA -1.084 61.237 62.300 0.036 0.000 0.937 109 V CB 1.684 33.540 31.823 0.054 0.000 1.013 109 V HN 1.085 nan 8.190 nan 0.000 0.430 110 E N 2.055 122.272 120.200 0.028 0.000 2.314 110 E HA 0.821 5.171 4.350 -0.000 0.000 0.272 110 E C -1.006 175.609 176.600 0.025 0.000 0.884 110 E CA -0.515 55.900 56.400 0.025 0.000 0.753 110 E CB 2.328 32.039 29.700 0.020 0.000 1.213 110 E HN 1.286 nan 8.360 nan 0.000 0.432 111 C N -0.421 118.893 119.300 0.023 0.000 3.211 111 C HA 0.467 4.927 4.460 -0.000 0.000 0.350 111 C C -1.044 173.956 174.990 0.018 0.000 1.413 111 C CA -1.173 57.858 59.018 0.022 0.000 1.203 111 C CB -0.234 27.522 27.740 0.028 0.000 1.506 111 C HN 0.752 nan 8.230 nan 0.000 0.448 112 L N 2.103 123.335 121.223 0.016 0.000 2.452 112 L HA 0.375 4.715 4.340 -0.000 0.000 0.267 112 L C 2.177 179.055 176.870 0.014 0.000 1.188 112 L CA -0.310 54.539 54.840 0.015 0.000 0.821 112 L CB 0.558 42.625 42.059 0.013 0.000 1.102 112 L HN 1.004 nan 8.230 nan 0.000 0.470 113 R N -0.099 120.410 120.500 0.014 0.000 2.193 113 R HA -0.135 4.205 4.340 -0.000 0.000 0.229 113 R C 0.347 176.653 176.300 0.009 0.000 1.110 113 R CA 1.290 57.397 56.100 0.012 0.000 0.988 113 R CB -0.312 29.998 30.300 0.017 0.000 0.871 113 R HN 0.579 nan 8.270 nan 0.000 0.458 114 D N 1.030 121.436 120.400 0.010 0.000 2.363 114 D HA -0.046 4.594 4.640 -0.000 0.000 0.220 114 D C 0.262 176.562 176.300 0.001 0.000 0.994 114 D CA 0.761 54.764 54.000 0.006 0.000 0.890 114 D CB 0.076 40.880 40.800 0.007 0.000 0.906 114 D HN 0.333 nan 8.370 nan 0.000 0.530 115 D N -0.337 120.064 120.400 0.002 0.000 2.440 115 D HA 0.046 4.686 4.640 -0.000 0.000 0.216 115 D C 1.829 178.124 176.300 -0.008 0.000 1.150 115 D CA -0.016 53.983 54.000 -0.002 0.000 0.832 115 D CB 1.103 41.909 40.800 0.011 0.000 0.992 115 D HN -0.003 nan 8.370 nan 0.000 0.502 116 V N 2.167 122.076 119.914 -0.008 0.000 2.594 116 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 116 V C 2.226 178.298 176.094 -0.037 0.000 1.069 116 V CA 1.970 64.263 62.300 -0.012 0.000 1.082 116 V CB -0.438 31.381 31.823 -0.007 0.000 0.680 116 V HN 0.260 nan 8.190 nan 0.000 0.469 117 D N 0.301 120.671 120.400 -0.049 0.000 2.144 117 D HA -0.171 4.469 4.640 -0.000 0.000 0.200 117 D C 1.945 178.158 176.300 -0.145 0.000 0.978 117 D CA 1.278 55.229 54.000 -0.083 0.000 0.833 117 D CB -0.379 40.379 40.800 -0.070 0.000 0.961 117 D HN 0.454 nan 8.370 nan 0.000 0.470 118 I N 0.193 120.683 120.570 -0.135 0.000 2.163 118 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 118 I C 2.508 178.490 176.117 -0.225 0.000 1.081 118 I CA 0.519 61.682 61.300 -0.228 0.000 1.353 118 I CB -0.133 37.806 38.000 -0.102 0.000 1.054 118 I HN -0.008 nan 8.210 nan 0.000 0.407 119 L N -0.303 120.902 121.223 -0.030 0.000 2.046 119 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 119 L C 2.567 179.446 176.870 0.016 0.000 1.077 119 L CA 1.859 56.743 54.840 0.074 0.000 0.747 119 L CB -0.978 41.123 42.059 0.069 0.000 0.896 119 L HN 0.351 nan 8.230 nan 0.000 0.432 120 M N 0.310 119.880 119.600 -0.050 0.000 2.108 120 M HA -0.239 4.240 4.480 -0.000 0.000 0.261 120 M C 2.172 178.391 176.300 -0.135 0.000 1.066 120 M CA 1.783 57.041 55.300 -0.070 0.000 1.107 120 M CB -0.496 32.059 32.600 -0.076 0.000 1.356 120 M HN 0.260 nan 8.290 nan 0.000 0.406 121 E N -1.015 119.042 120.200 -0.239 0.000 2.077 121 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 121 E C 1.773 178.237 176.600 -0.227 0.000 0.989 121 E CA 1.581 57.778 56.400 -0.338 0.000 0.800 121 E CB -0.215 29.208 29.700 -0.463 0.000 0.746 121 E HN 0.514 nan 8.360 nan 0.000 0.452 122 F N 0.651 120.544 119.950 -0.093 0.000 2.134 122 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 122 F C 2.247 178.006 175.800 -0.068 0.000 1.097 122 F CA 0.828 58.785 58.000 -0.072 0.000 1.264 122 F CB -0.903 38.068 39.000 -0.048 0.000 1.001 122 F HN 0.163 nan 8.300 nan 0.000 0.479 123 L N 0.018 121.313 121.223 0.119 0.000 2.042 123 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 123 L C 2.053 178.907 176.870 -0.027 0.000 1.076 123 L CA 1.735 56.603 54.840 0.047 0.000 0.749 123 L CB -0.884 41.195 42.059 0.034 0.000 0.893 123 L HN 0.126 nan 8.230 nan 0.000 0.432 124 L N -0.594 120.592 121.223 -0.062 0.000 2.093 124 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 124 L C 2.418 179.245 176.870 -0.072 0.000 1.085 124 L CA 1.166 55.953 54.840 -0.088 0.000 0.755 124 L CB -0.738 41.212 42.059 -0.182 0.000 0.904 124 L HN 0.401 nan 8.230 nan 0.000 0.435 125 N N -0.245 118.421 118.700 -0.058 0.000 2.142 125 N HA -0.136 4.604 4.740 -0.000 0.000 0.186 125 N C 1.856 177.337 175.510 -0.049 0.000 1.023 125 N CA 1.286 54.314 53.050 -0.038 0.000 0.852 125 N CB -0.009 38.489 38.487 0.018 0.000 0.998 125 N HN 0.115 nan 8.380 nan 0.000 0.424 126 V N 1.140 121.034 119.914 -0.033 0.000 2.358 126 V HA -0.179 3.941 4.120 -0.000 0.000 0.246 126 V C 2.468 178.492 176.094 -0.117 0.000 1.047 126 V CA 2.196 64.462 62.300 -0.058 0.000 1.035 126 V CB -0.866 30.965 31.823 0.013 0.000 0.658 126 V HN 0.527 nan 8.190 nan 0.000 0.452 127 T N -2.816 111.645 114.554 -0.153 0.000 3.054 127 T HA -0.061 4.289 4.350 -0.000 0.000 0.259 127 T C 1.520 176.257 174.700 0.062 0.000 1.092 127 T CA 1.268 63.309 62.100 -0.099 0.000 1.121 127 T CB -0.070 68.639 68.868 -0.266 0.000 0.912 127 T HN 0.595 nan 8.240 nan 0.000 0.489 128 T N -2.158 112.396 114.554 0.001 0.000 2.975 128 T HA 0.623 4.973 4.350 -0.000 0.000 0.257 128 T C 1.199 175.894 174.700 -0.008 0.000 1.003 128 T CA 0.175 62.291 62.100 0.027 0.000 0.932 128 T CB 0.207 69.101 68.868 0.043 0.000 1.087 128 T HN 0.400 nan 8.240 nan 0.000 0.512 129 A N 2.454 125.243 122.820 -0.052 0.000 2.610 129 A HA 0.545 4.865 4.320 -0.000 0.000 0.290 129 A C -2.729 174.764 177.584 -0.152 0.000 1.001 129 A CA -1.132 50.863 52.037 -0.070 0.000 1.004 129 A CB 0.324 19.297 19.000 -0.044 0.000 1.220 129 A HN 0.409 nan 8.150 nan 0.000 0.507 130 P HA 0.145 nan 4.420 nan 0.000 0.271 130 P C -0.047 176.905 177.300 -0.580 0.000 1.216 130 P CA 0.315 63.073 63.100 -0.570 0.000 0.776 130 P CB 1.262 32.382 31.700 -0.967 0.000 0.881 131 E N 0.958 120.853 120.200 -0.508 0.000 2.364 131 E HA 0.073 4.423 4.350 -0.000 0.000 0.196 131 E C -0.240 176.224 176.600 -0.227 0.000 0.990 131 E CA -0.090 56.172 56.400 -0.230 0.000 0.886 131 E CB -0.242 29.377 29.700 -0.135 0.000 0.866 131 E HN 0.310 nan 8.360 nan 0.000 0.493 132 F N 1.724 121.529 119.950 -0.242 0.000 2.829 132 F HA -0.253 4.274 4.527 -0.000 0.000 0.237 132 F C 0.183 175.808 175.800 -0.290 0.000 1.017 132 F CA 0.374 58.180 58.000 -0.322 0.000 0.882 132 F CB -2.035 36.633 39.000 -0.554 0.000 0.795 132 F HN -0.064 nan 8.300 nan 0.000 0.848 133 R N 0.800 121.133 120.500 -0.277 0.000 2.522 133 R HA 0.088 4.428 4.340 -0.000 0.000 0.284 133 R C 1.698 177.625 176.300 -0.621 0.000 1.032 133 R CA -0.054 55.656 56.100 -0.650 0.000 1.049 133 R CB 0.405 30.032 30.300 -1.122 0.000 0.956 133 R HN 0.476 nan 8.270 nan 0.000 0.422 134 R N 2.885 123.075 120.500 -0.517 0.000 2.133 134 R HA -0.236 4.104 4.340 -0.000 0.000 0.245 134 R C 1.652 177.895 176.300 -0.096 0.000 1.137 134 R CA 2.705 58.691 56.100 -0.189 0.000 0.947 134 R CB -0.202 30.102 30.300 0.007 0.000 0.865 134 R HN 0.839 nan 8.270 nan 0.000 0.437 135 W N 0.038 121.355 121.300 0.029 0.000 2.402 135 W HA 0.043 4.703 4.660 -0.000 0.000 0.286 135 W C 1.386 177.916 176.519 0.018 0.000 1.221 135 W CA 0.728 58.084 57.345 0.018 0.000 1.257 135 W CB -0.307 29.162 29.460 0.014 0.000 1.120 135 W HN 0.100 nan 8.180 nan 0.000 0.551 136 E N 0.951 120.997 120.200 -0.256 0.000 2.112 136 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 136 E C 2.276 178.839 176.600 -0.062 0.000 0.979 136 E CA 1.378 57.719 56.400 -0.098 0.000 0.814 136 E CB -0.218 29.374 29.700 -0.180 0.000 0.762 136 E HN 0.181 nan 8.360 nan 0.000 0.460 137 V N 1.476 121.329 119.914 -0.102 0.000 2.358 137 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 137 V C 2.335 178.402 176.094 -0.046 0.000 1.047 137 V CA 1.822 64.081 62.300 -0.069 0.000 1.035 137 V CB -0.624 31.144 31.823 -0.091 0.000 0.658 137 V HN 0.290 nan 8.190 nan 0.000 0.452 138 A N 0.152 122.964 122.820 -0.014 0.000 1.877 138 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 138 A C 2.421 180.013 177.584 0.015 0.000 1.186 138 A CA 2.109 54.152 52.037 0.010 0.000 0.620 138 A CB -0.850 18.181 19.000 0.052 0.000 0.822 138 A HN 0.578 nan 8.150 nan 0.000 0.443 139 A N -0.956 121.887 122.820 0.038 0.000 2.019 139 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 139 A C 2.074 179.663 177.584 0.008 0.000 1.164 139 A CA 1.695 53.754 52.037 0.037 0.000 0.644 139 A CB -0.458 18.582 19.000 0.068 0.000 0.805 139 A HN 0.629 nan 8.150 nan 0.000 0.449 140 L N -0.697 120.520 121.223 -0.011 0.000 2.240 140 L HA -0.073 4.267 4.340 -0.000 0.000 0.211 140 L C 2.296 179.131 176.870 -0.058 0.000 1.106 140 L CA 1.359 56.179 54.840 -0.032 0.000 0.793 140 L CB -0.482 41.553 42.059 -0.039 0.000 0.927 140 L HN 0.340 nan 8.230 nan 0.000 0.446 141 Q N 0.300 120.063 119.800 -0.063 0.000 2.156 141 Q HA -0.223 4.117 4.340 -0.000 0.000 0.211 141 Q C -0.137 175.817 176.000 -0.076 0.000 0.995 141 Q CA 2.490 58.244 55.803 -0.082 0.000 0.877 141 Q CB -2.068 26.631 28.738 -0.065 0.000 0.920 141 Q HN 0.444 nan 8.270 nan 0.000 0.416 142 P HA -0.149 nan 4.420 nan 0.000 0.219 142 P C 1.302 178.576 177.300 -0.043 0.000 1.146 142 P CA 1.287 64.365 63.100 -0.038 0.000 0.808 142 P CB -0.064 31.624 31.700 -0.020 0.000 0.779 143 Q N -0.399 119.370 119.800 -0.052 0.000 2.226 143 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 143 Q C 1.874 177.832 176.000 -0.070 0.000 0.975 143 Q CA 1.263 57.037 55.803 -0.048 0.000 0.866 143 Q CB -1.217 27.493 28.738 -0.047 0.000 0.915 143 Q HN 0.215 nan 8.270 nan 0.000 0.440 144 L N -0.611 120.534 121.223 -0.129 0.000 2.083 144 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 144 L C 2.575 179.416 176.870 -0.048 0.000 1.083 144 L CA 1.466 56.189 54.840 -0.194 0.000 0.752 144 L CB -0.306 41.601 42.059 -0.253 0.000 0.899 144 L HN 0.195 nan 8.230 nan 0.000 0.433 145 R N 0.269 120.745 120.500 -0.040 0.000 2.073 145 R HA -0.092 4.248 4.340 -0.000 0.000 0.229 145 R C 2.314 178.609 176.300 -0.010 0.000 1.120 145 R CA 1.201 57.291 56.100 -0.018 0.000 0.967 145 R CB -0.103 30.184 30.300 -0.021 0.000 0.862 145 R HN 0.269 nan 8.270 nan 0.000 0.436 146 I N 0.408 120.973 120.570 -0.010 0.000 2.142 146 I HA -0.268 3.902 4.170 -0.000 0.000 0.240 146 I C 2.009 178.129 176.117 0.005 0.000 1.078 146 I CA 1.557 62.853 61.300 -0.006 0.000 1.343 146 I CB -0.413 37.584 38.000 -0.005 0.000 1.046 146 I HN 0.217 nan 8.210 nan 0.000 0.405 147 D N 1.058 121.482 120.400 0.040 0.000 2.104 147 D HA -0.255 4.385 4.640 -0.000 0.000 0.194 147 D C 2.192 178.526 176.300 0.057 0.000 0.994 147 D CA 1.533 55.592 54.000 0.098 0.000 0.830 147 D CB 0.004 40.938 40.800 0.224 0.000 0.959 147 D HN 0.104 nan 8.370 nan 0.000 0.452 148 K N -0.459 119.976 120.400 0.058 0.000 2.057 148 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 148 K C 2.030 178.494 176.600 -0.228 0.000 1.050 148 K CA 1.099 57.301 56.287 -0.141 0.000 0.935 148 K CB -0.167 32.328 32.500 -0.008 0.000 0.715 148 K HN 0.136 nan 8.250 nan 0.000 0.439 149 A N 0.604 123.357 122.820 -0.111 0.000 1.933 149 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 149 A C 2.199 179.724 177.584 -0.099 0.000 1.175 149 A CA 1.446 53.426 52.037 -0.094 0.000 0.628 149 A CB -0.541 18.432 19.000 -0.046 0.000 0.814 149 A HN 0.168 nan 8.150 nan 0.000 0.444 150 V N -0.193 119.671 119.914 -0.084 0.000 2.261 150 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 150 V C 3.079 179.108 176.094 -0.108 0.000 1.047 150 V CA 1.977 64.237 62.300 -0.067 0.000 1.015 150 V CB -1.221 30.582 31.823 -0.033 0.000 0.642 150 V HN 0.613 nan 8.190 nan 0.000 0.446 151 A N -0.267 122.438 122.820 -0.193 0.000 1.902 151 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 151 A C 2.051 179.460 177.584 -0.292 0.000 1.181 151 A CA 1.563 53.434 52.037 -0.277 0.000 0.623 151 A CB -0.570 18.059 19.000 -0.618 0.000 0.818 151 A HN 0.501 nan 8.150 nan 0.000 0.443 152 L N -0.202 120.809 121.223 -0.353 0.000 2.622 152 L HA -0.107 4.233 4.340 -0.000 0.000 0.233 152 L C 2.102 178.946 176.870 -0.044 0.000 1.156 152 L CA 0.474 55.120 54.840 -0.324 0.000 0.866 152 L CB -0.637 41.155 42.059 -0.444 0.000 0.980 152 L HN 0.578 nan 8.230 nan 0.000 0.448 153 Q N -0.092 119.684 119.800 -0.041 0.000 2.378 153 Q HA 0.006 4.346 4.340 -0.000 0.000 0.205 153 Q C 0.173 176.183 176.000 0.017 0.000 0.954 153 Q CA 0.375 56.183 55.803 0.008 0.000 0.901 153 Q CB 0.169 28.899 28.738 -0.012 0.000 0.981 153 Q HN 0.540 nan 8.270 nan 0.000 0.483 154 N N 1.668 120.372 118.700 0.007 0.000 2.420 154 N HA 0.093 4.833 4.740 -0.000 0.000 0.249 154 N C -2.194 173.339 175.510 0.038 0.000 1.033 154 N CA -1.199 51.856 53.050 0.009 0.000 0.944 154 N CB 1.373 39.862 38.487 0.002 0.000 1.113 154 N HN -0.063 nan 8.380 nan 0.000 0.502 155 P HA -0.152 nan 4.420 nan 0.000 0.217 155 P C 1.049 178.323 177.300 -0.043 0.000 1.148 155 P CA 1.333 64.323 63.100 -0.183 0.000 0.828 155 P CB 0.454 31.703 31.700 -0.752 0.000 0.783 156 Q N -0.375 119.433 119.800 0.013 0.000 2.135 156 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 156 Q C 2.279 178.374 176.000 0.158 0.000 0.981 156 Q CA 2.084 57.991 55.803 0.174 0.000 0.856 156 Q CB -1.433 27.349 28.738 0.072 0.000 0.902 156 Q HN 0.212 nan 8.270 nan 0.000 0.425 157 A N 0.373 123.246 122.820 0.087 0.000 1.902 157 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 157 A C 1.835 179.444 177.584 0.041 0.000 1.181 157 A CA 1.563 53.629 52.037 0.047 0.000 0.623 157 A CB -0.767 18.192 19.000 -0.069 0.000 0.818 157 A HN 0.436 nan 8.150 nan 0.000 0.443 158 H N -0.636 118.432 119.070 -0.003 0.000 2.267 158 H HA -0.128 4.428 4.556 -0.000 0.000 0.297 158 H C 2.352 177.699 175.328 0.033 0.000 1.080 158 H CA 2.017 58.062 56.048 -0.005 0.000 1.278 158 H CB -0.471 29.266 29.762 -0.043 0.000 1.365 158 H HN 0.297 nan 8.280 nan 0.000 0.489 159 V N 1.477 121.511 119.914 0.199 0.000 2.295 159 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 159 V C 2.691 178.867 176.094 0.137 0.000 1.049 159 V CA 1.319 63.699 62.300 0.133 0.000 1.024 159 V CB -0.426 31.483 31.823 0.144 0.000 0.648 159 V HN 0.289 nan 8.190 nan 0.000 0.447 160 I N -0.190 120.503 120.570 0.206 0.000 2.226 160 I HA -0.131 4.039 4.170 -0.000 0.000 0.245 160 I C 2.601 178.903 176.117 0.307 0.000 1.100 160 I CA 1.350 62.801 61.300 0.252 0.000 1.374 160 I CB -1.344 36.841 38.000 0.308 0.000 1.057 160 I HN 0.354 nan 8.210 nan 0.000 0.413 161 E N 0.862 121.182 120.200 0.201 0.000 2.077 161 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 161 E C 1.928 178.626 176.600 0.164 0.000 0.989 161 E CA 0.929 57.426 56.400 0.163 0.000 0.800 161 E CB -0.436 29.326 29.700 0.103 0.000 0.746 161 E HN 0.470 nan 8.360 nan 0.000 0.452 162 N N 0.771 119.545 118.700 0.123 0.000 2.244 162 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 162 N C 1.916 177.464 175.510 0.065 0.000 1.016 162 N CA 0.362 53.462 53.050 0.084 0.000 0.866 162 N CB -0.321 38.199 38.487 0.056 0.000 0.980 162 N HN 0.092 nan 8.380 nan 0.000 0.430 163 L N 0.711 121.970 121.223 0.060 0.000 2.046 163 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 163 L C 1.760 178.621 176.870 -0.015 0.000 1.077 163 L CA 1.862 56.683 54.840 -0.032 0.000 0.747 163 L CB -0.544 41.446 42.059 -0.115 0.000 0.896 163 L HN 0.186 nan 8.230 nan 0.000 0.432 164 H N -1.051 118.080 119.070 0.101 0.000 2.389 164 H HA 0.061 4.617 4.556 -0.000 0.000 0.299 164 H C 2.159 177.576 175.328 0.148 0.000 1.081 164 H CA 1.241 57.402 56.048 0.189 0.000 1.345 164 H CB -0.291 29.582 29.762 0.185 0.000 1.393 164 H HN 0.481 nan 8.280 nan 0.000 0.520 165 A N 0.568 123.505 122.820 0.195 0.000 1.969 165 A HA -0.040 4.280 4.320 -0.000 0.000 0.218 165 A C 2.427 180.049 177.584 0.063 0.000 1.169 165 A CA 1.442 53.553 52.037 0.123 0.000 0.635 165 A CB -0.783 18.273 19.000 0.093 0.000 0.810 165 A HN 0.459 nan 8.150 nan 0.000 0.445 166 A N -0.537 122.286 122.820 0.006 0.000 1.970 166 A HA 0.372 4.692 4.320 -0.000 0.000 0.216 166 A C 2.385 179.851 177.584 -0.197 0.000 1.170 166 A CA 1.495 53.491 52.037 -0.068 0.000 0.645 166 A CB -0.674 18.272 19.000 -0.091 0.000 0.816 166 A HN 0.864 nan 8.150 nan 0.000 0.447 167 A N -1.319 121.338 122.820 -0.272 0.000 1.898 167 A HA 0.270 4.590 4.320 -0.000 0.000 0.214 167 A C 0.752 177.842 177.584 -0.823 0.000 1.183 167 A CA 0.602 52.243 52.037 -0.659 0.000 0.622 167 A CB -0.348 18.271 19.000 -0.636 0.000 0.824 167 A HN 0.451 nan 8.150 nan 0.000 0.444 168 Y N -1.451 118.780 120.300 -0.114 0.000 2.457 168 Y HA 0.522 5.072 4.550 -0.000 0.000 0.333 168 Y C 1.366 177.264 175.900 -0.004 0.000 1.119 168 Y CA -0.786 57.288 58.100 -0.043 0.000 1.143 168 Y CB 1.244 39.708 38.460 0.006 0.000 1.230 168 Y HN 0.026 nan 8.280 nan 0.000 0.469 169 R N 0.846 121.441 120.500 0.158 0.000 2.210 169 R HA 0.072 4.412 4.340 -0.000 0.000 0.203 169 R C -0.062 176.270 176.300 0.053 0.000 1.010 169 R CA 0.712 56.836 56.100 0.040 0.000 1.008 169 R CB 0.018 30.305 30.300 -0.023 0.000 0.923 169 R HN 0.767 nan 8.270 nan 0.000 0.469 170 N N -1.793 116.960 118.700 0.088 0.000 3.364 170 N HA 0.225 4.965 4.740 -0.000 0.000 0.294 170 N C 0.288 175.787 175.510 -0.020 0.000 1.562 170 N CA 0.043 53.113 53.050 0.033 0.000 0.862 170 N CB 0.401 38.900 38.487 0.019 0.000 1.691 170 N HN -0.100 nan 8.380 nan 0.000 0.572 171 A N 0.453 123.229 122.820 -0.073 0.000 4.529 171 A HA -0.338 3.982 4.320 -0.000 0.000 0.369 171 A C 1.687 179.114 177.584 -0.260 0.000 1.648 171 A CA 2.924 54.853 52.037 -0.180 0.000 0.786 171 A CB -2.164 16.705 19.000 -0.218 0.000 1.518 171 A HN 0.695 nan 8.150 nan 0.000 0.515 172 L N -0.224 120.749 121.223 -0.418 0.000 2.450 172 L HA -0.017 4.323 4.340 -0.000 0.000 0.224 172 L C 2.869 179.625 176.870 -0.190 0.000 1.149 172 L CA 0.956 55.471 54.840 -0.542 0.000 0.816 172 L CB -0.539 40.841 42.059 -1.131 0.000 0.932 172 L HN 0.746 nan 8.230 nan 0.000 0.449 173 A N -0.590 122.214 122.820 -0.027 0.000 2.014 173 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 173 A C 0.960 178.576 177.584 0.053 0.000 1.163 173 A CA 0.457 52.573 52.037 0.133 0.000 0.652 173 A CB -0.383 18.701 19.000 0.140 0.000 0.808 173 A HN 0.369 nan 8.150 nan 0.000 0.449 174 N N 1.030 119.712 118.700 -0.029 0.000 2.458 174 N HA 0.113 4.853 4.740 -0.000 0.000 0.258 174 N C 0.025 175.494 175.510 -0.068 0.000 1.219 174 N CA 0.316 53.341 53.050 -0.042 0.000 0.902 174 N CB 0.590 39.034 38.487 -0.071 0.000 1.076 174 N HN 0.249 nan 8.380 nan 0.000 0.455 175 S N 1.173 116.849 115.700 -0.041 0.000 2.592 175 S HA 0.229 4.699 4.470 -0.000 0.000 0.271 175 S C 1.538 176.045 174.600 -0.154 0.000 1.326 175 S CA -0.646 57.521 58.200 -0.055 0.000 1.024 175 S CB 0.389 63.601 63.200 0.021 0.000 0.921 175 S HN 0.468 nan 8.310 nan 0.000 0.527 176 L N 2.497 123.562 121.223 -0.263 0.000 2.478 176 L HA 0.127 4.467 4.340 -0.000 0.000 0.223 176 L C -0.510 175.852 176.870 -0.848 0.000 1.140 176 L CA 0.471 54.989 54.840 -0.535 0.000 0.842 176 L CB -0.166 41.486 42.059 -0.677 0.000 0.953 176 L HN 0.620 nan 8.230 nan 0.000 0.452 177 Y N -1.964 118.189 120.300 -0.245 0.000 2.429 177 Y HA 0.238 4.788 4.550 -0.000 0.000 0.342 177 Y C 0.318 176.208 175.900 -0.016 0.000 1.004 177 Y CA -1.330 56.611 58.100 -0.265 0.000 1.075 177 Y CB 1.173 39.503 38.460 -0.216 0.000 1.214 177 Y HN -0.218 nan 8.280 nan 0.000 0.455 178 C N 5.627 125.165 119.300 0.397 0.000 2.634 178 C HA 0.251 4.711 4.460 -0.000 0.000 0.418 178 C C -2.153 172.863 174.990 0.043 0.000 1.373 178 C CA -1.440 57.664 59.018 0.144 0.000 1.756 178 C CB -0.619 27.158 27.740 0.062 0.000 2.589 178 C HN 0.524 nan 8.230 nan 0.000 0.602 179 P HA 0.119 nan 4.420 nan 0.000 0.268 179 P C 0.338 177.581 177.300 -0.095 0.000 1.205 179 P CA 0.300 63.370 63.100 -0.050 0.000 0.771 179 P CB 0.549 32.196 31.700 -0.089 0.000 0.858 180 D N 1.388 121.797 120.400 0.014 0.000 2.149 180 D HA -0.227 4.413 4.640 -0.000 0.000 0.194 180 D C 1.624 177.932 176.300 0.014 0.000 1.001 180 D CA 1.789 55.800 54.000 0.019 0.000 0.849 180 D CB -0.872 39.963 40.800 0.058 0.000 0.939 180 D HN 0.608 nan 8.370 nan 0.000 0.449 181 Y N -0.097 120.206 120.300 0.005 0.000 2.403 181 Y HA 0.008 4.558 4.550 -0.000 0.000 0.291 181 Y C 1.714 177.611 175.900 -0.004 0.000 1.143 181 Y CA 0.875 58.976 58.100 0.001 0.000 1.257 181 Y CB -0.105 38.357 38.460 0.003 0.000 0.984 181 Y HN -0.192 nan 8.280 nan 0.000 0.550 182 R N 1.013 121.134 120.500 -0.632 0.000 2.280 182 R HA 0.248 4.588 4.340 -0.000 0.000 0.195 182 R C 0.254 176.411 176.300 -0.237 0.000 0.935 182 R CA 0.002 55.794 56.100 -0.514 0.000 1.033 182 R CB -0.136 29.779 30.300 -0.642 0.000 0.964 182 R HN 0.384 nan 8.270 nan 0.000 0.489 183 I N 1.158 121.627 120.570 -0.168 0.000 2.662 183 I HA -0.081 4.089 4.170 -0.000 0.000 0.285 183 I C 1.276 177.344 176.117 -0.082 0.000 1.161 183 I CA 1.095 62.327 61.300 -0.115 0.000 1.415 183 I CB 0.422 38.376 38.000 -0.078 0.000 1.385 183 I HN 0.427 nan 8.210 nan 0.000 0.552 184 G N 5.278 114.027 108.800 -0.085 0.000 2.213 184 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.236 184 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.236 184 G C 0.953 175.821 174.900 -0.054 0.000 0.991 184 G CA -0.250 44.816 45.100 -0.057 0.000 0.629 184 G HN 0.551 nan 8.290 nan 0.000 0.517 185 K N 0.203 120.559 120.400 -0.073 0.000 2.354 185 K HA 0.371 4.691 4.320 -0.000 0.000 0.194 185 K C 1.009 177.561 176.600 -0.081 0.000 1.038 185 K CA 0.232 56.483 56.287 -0.061 0.000 1.052 185 K CB 0.902 33.373 32.500 -0.048 0.000 0.861 185 K HN 0.368 nan 8.250 nan 0.000 0.535 186 V N 3.968 123.812 119.914 -0.117 0.000 2.485 186 V HA 0.003 4.122 4.120 -0.000 0.000 0.287 186 V C 0.854 176.872 176.094 -0.127 0.000 1.022 186 V CA -0.009 62.209 62.300 -0.138 0.000 1.067 186 V CB 0.293 32.005 31.823 -0.184 0.000 0.967 186 V HN 0.340 nan 8.190 nan 0.000 0.479 187 T N 3.237 117.724 114.554 -0.112 0.000 2.934 187 T HA 0.406 4.756 4.350 -0.000 0.000 0.283 187 T C -1.795 172.822 174.700 -0.140 0.000 1.005 187 T CA -2.076 59.968 62.100 -0.095 0.000 1.041 187 T CB 1.875 70.715 68.868 -0.047 0.000 1.042 187 T HN 0.361 nan 8.240 nan 0.000 0.505 188 P HA -0.081 nan 4.420 nan 0.000 0.215 188 P C 1.734 179.004 177.300 -0.050 0.000 1.153 188 P CA 0.542 63.576 63.100 -0.109 0.000 0.853 188 P CB -0.122 31.581 31.700 0.005 0.000 0.788 189 V N 0.151 120.081 119.914 0.026 0.000 2.343 189 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 189 V C 2.198 178.302 176.094 0.016 0.000 1.051 189 V CA 1.865 64.208 62.300 0.072 0.000 1.036 189 V CB -1.202 30.648 31.823 0.045 0.000 0.654 189 V HN 0.212 nan 8.190 nan 0.000 0.451 190 E N -0.005 120.165 120.200 -0.050 0.000 2.153 190 E HA -0.179 4.171 4.350 -0.000 0.000 0.194 190 E C 2.208 178.740 176.600 -0.112 0.000 0.988 190 E CA 1.129 57.500 56.400 -0.049 0.000 0.811 190 E CB -0.189 29.471 29.700 -0.066 0.000 0.746 190 E HN 0.517 nan 8.360 nan 0.000 0.466 191 L N 0.410 121.433 121.223 -0.334 0.000 2.027 191 L HA -0.167 4.173 4.340 -0.000 0.000 0.206 191 L C 2.563 179.162 176.870 -0.451 0.000 1.074 191 L CA 0.974 55.404 54.840 -0.683 0.000 0.745 191 L CB -0.527 40.612 42.059 -1.533 0.000 0.898 191 L HN 0.220 nan 8.230 nan 0.000 0.433 192 H N 0.172 119.144 119.070 -0.164 0.000 2.352 192 H HA -0.166 4.390 4.556 -0.000 0.000 0.299 192 H C 1.859 177.205 175.328 0.031 0.000 1.097 192 H CA 1.726 57.839 56.048 0.108 0.000 1.311 192 H CB -0.103 29.731 29.762 0.120 0.000 1.377 192 H HN 0.351 nan 8.280 nan 0.000 0.504 193 D N -0.190 120.288 120.400 0.130 0.000 2.144 193 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 193 D C 2.086 178.419 176.300 0.055 0.000 0.978 193 D CA 0.651 54.691 54.000 0.067 0.000 0.833 193 D CB -0.576 40.258 40.800 0.056 0.000 0.961 193 D HN 0.364 nan 8.370 nan 0.000 0.470 194 Y N 1.111 121.404 120.300 -0.011 0.000 2.200 194 Y HA -0.195 4.355 4.550 -0.000 0.000 0.290 194 Y C 2.266 178.199 175.900 0.055 0.000 1.137 194 Y CA 1.028 59.187 58.100 0.098 0.000 1.163 194 Y CB -0.070 38.403 38.460 0.020 0.000 0.988 194 Y HN -0.215 nan 8.280 nan 0.000 0.518 195 V N 0.172 120.070 119.914 -0.026 0.000 2.307 195 V HA -0.329 3.791 4.120 -0.000 0.000 0.245 195 V C 2.081 178.094 176.094 -0.135 0.000 1.045 195 V CA 2.271 64.348 62.300 -0.373 0.000 1.024 195 V CB -0.622 30.996 31.823 -0.341 0.000 0.651 195 V HN 0.430 nan 8.190 nan 0.000 0.449 196 Q N -0.229 119.541 119.800 -0.049 0.000 2.170 196 Q HA -0.173 4.167 4.340 -0.000 0.000 0.203 196 Q C 2.089 178.017 176.000 -0.120 0.000 0.976 196 Q CA 1.390 57.169 55.803 -0.041 0.000 0.858 196 Q CB -0.196 28.531 28.738 -0.019 0.000 0.907 196 Q HN 0.601 nan 8.270 nan 0.000 0.433 197 N N -0.396 118.150 118.700 -0.257 0.000 2.300 197 N HA -0.082 4.658 4.740 -0.000 0.000 0.179 197 N C 0.838 175.925 175.510 -0.705 0.000 1.016 197 N CA 1.198 53.918 53.050 -0.550 0.000 0.876 197 N CB 0.140 38.093 38.487 -0.890 0.000 0.979 197 N HN 0.458 nan 8.380 nan 0.000 0.432 198 H N -2.396 116.605 119.070 -0.116 0.000 3.205 198 H HA 0.275 4.831 4.556 -0.000 0.000 0.252 198 H C -0.241 175.198 175.328 0.185 0.000 1.015 198 H CA -0.274 55.737 56.048 -0.062 0.000 1.192 198 H CB 0.127 29.762 29.762 -0.213 0.000 1.474 198 H HN -0.035 nan 8.280 nan 0.000 0.484 199 F N 3.483 123.446 119.950 0.021 0.000 2.666 199 F HA 0.207 4.734 4.527 -0.000 0.000 0.362 199 F C 0.655 176.448 175.800 -0.011 0.000 1.190 199 F CA -0.624 57.388 58.000 0.020 0.000 1.328 199 F CB -0.962 38.057 39.000 0.032 0.000 1.682 199 F HN -0.004 nan 8.300 nan 0.000 0.623 200 T N -4.247 110.374 114.554 0.111 0.000 2.912 200 T HA 0.328 4.678 4.350 -0.000 0.000 0.288 200 T C 1.344 176.055 174.700 0.019 0.000 1.030 200 T CA -0.654 61.475 62.100 0.047 0.000 1.020 200 T CB 1.799 70.672 68.868 0.010 0.000 1.056 200 T HN 0.035 nan 8.240 nan 0.000 0.480 201 S N 1.380 117.088 115.700 0.013 0.000 2.381 201 S HA -0.204 4.266 4.470 -0.000 0.000 0.230 201 S C 2.384 176.985 174.600 0.001 0.000 1.052 201 S CA 1.674 59.876 58.200 0.003 0.000 1.068 201 S CB -0.988 62.212 63.200 0.001 0.000 0.918 201 S HN 0.998 nan 8.310 nan 0.000 0.448 202 A N 0.806 123.626 122.820 0.001 0.000 2.178 202 A HA -0.022 4.298 4.320 -0.000 0.000 0.218 202 A C 1.850 179.436 177.584 0.003 0.000 1.157 202 A CA 0.892 52.931 52.037 0.004 0.000 0.689 202 A CB -0.249 18.752 19.000 0.001 0.000 0.787 202 A HN 0.485 nan 8.150 nan 0.000 0.465 203 R N -1.647 118.849 120.500 -0.006 0.000 2.509 203 R HA 0.416 4.756 4.340 -0.000 0.000 0.300 203 R C -0.408 175.886 176.300 -0.009 0.000 0.985 203 R CA -0.049 56.044 56.100 -0.012 0.000 1.092 203 R CB 0.356 30.633 30.300 -0.037 0.000 1.237 203 R HN 0.432 nan 8.270 nan 0.000 0.546 204 M N 0.022 119.618 119.600 -0.006 0.000 2.662 204 M HA 0.597 5.077 4.480 -0.000 0.000 0.310 204 M C -1.094 175.208 176.300 0.003 0.000 1.204 204 M CA -0.920 54.376 55.300 -0.006 0.000 0.891 204 M CB 2.576 35.157 32.600 -0.031 0.000 1.732 204 M HN -0.062 nan 8.290 nan 0.000 0.467 205 A N 2.385 125.223 122.820 0.032 0.000 2.414 205 A HA 0.705 5.025 4.320 -0.000 0.000 0.286 205 A C -1.787 175.826 177.584 0.049 0.000 1.073 205 A CA -0.565 51.467 52.037 -0.008 0.000 0.727 205 A CB 1.113 20.080 19.000 -0.054 0.000 1.215 205 A HN 0.714 nan 8.150 nan 0.000 0.430 206 L N 4.753 125.966 121.223 -0.016 0.000 2.257 206 L HA 0.605 4.945 4.340 -0.000 0.000 0.290 206 L C -0.892 175.964 176.870 -0.025 0.000 1.044 206 L CA -0.298 54.550 54.840 0.014 0.000 0.810 206 L CB 0.506 42.551 42.059 -0.023 0.000 1.193 206 L HN 0.539 nan 8.230 nan 0.000 0.425 207 I N 4.490 125.088 120.570 0.046 0.000 2.474 207 I HA 0.715 4.885 4.170 -0.000 0.000 0.294 207 I C 0.507 176.643 176.117 0.033 0.000 1.005 207 I CA -0.514 60.777 61.300 -0.015 0.000 1.113 207 I CB 1.256 39.215 38.000 -0.069 0.000 1.289 207 I HN 0.682 nan 8.210 nan 0.000 0.436 208 G N 5.905 114.711 108.800 0.010 0.000 2.667 208 G HA2 0.728 4.688 3.960 -0.000 0.000 0.298 208 G HA3 0.728 4.688 3.960 -0.000 0.000 0.298 208 G C -1.527 173.401 174.900 0.047 0.000 1.377 208 G CA -0.507 44.612 45.100 0.032 0.000 0.964 208 G HN 0.406 nan 8.290 nan 0.000 0.493 209 L N 1.016 122.272 121.223 0.055 0.000 2.365 209 L HA 0.613 4.953 4.340 -0.000 0.000 0.273 209 L C 1.053 177.927 176.870 0.007 0.000 1.000 209 L CA -0.387 54.486 54.840 0.055 0.000 0.819 209 L CB 2.110 44.228 42.059 0.098 0.000 1.284 209 L HN 1.094 nan 8.230 nan 0.000 0.418 210 G N 2.243 111.019 108.800 -0.039 0.000 2.272 210 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.280 210 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.280 210 G C -0.598 174.270 174.900 -0.055 0.000 1.067 210 G CA 0.500 45.560 45.100 -0.067 0.000 0.902 210 G HN 0.543 nan 8.290 nan 0.000 0.500 211 V N -0.753 119.126 119.914 -0.058 0.000 3.087 211 V HA 0.868 4.988 4.120 -0.000 0.000 0.306 211 V C 0.357 176.429 176.094 -0.036 0.000 1.187 211 V CA 0.177 62.455 62.300 -0.036 0.000 0.999 211 V CB 2.191 34.005 31.823 -0.015 0.000 1.049 211 V HN 1.553 nan 8.190 nan 0.000 0.431 212 S N 3.110 118.798 115.700 -0.020 0.000 2.545 212 S HA 0.278 4.748 4.470 -0.000 0.000 0.275 212 S C 0.822 175.443 174.600 0.035 0.000 1.299 212 S CA 0.651 58.853 58.200 0.005 0.000 1.048 212 S CB 0.927 64.133 63.200 0.010 0.000 0.938 212 S HN 1.040 nan 8.310 nan 0.000 0.496 213 H N 4.005 123.057 119.070 -0.030 0.000 2.353 213 H HA 0.108 4.664 4.556 -0.000 0.000 0.300 213 H C -1.283 174.037 175.328 -0.013 0.000 1.090 213 H CA 2.099 58.133 56.048 -0.023 0.000 1.327 213 H CB -1.026 28.727 29.762 -0.016 0.000 1.383 213 H HN 0.546 nan 8.280 nan 0.000 0.508 214 P HA -0.165 nan 4.420 nan 0.000 0.215 214 P C 1.667 178.934 177.300 -0.054 0.000 1.153 214 P CA 1.407 64.502 63.100 -0.008 0.000 0.853 214 P CB 0.086 31.805 31.700 0.031 0.000 0.788 215 V N -0.576 119.318 119.914 -0.035 0.000 2.261 215 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 215 V C 2.400 178.461 176.094 -0.056 0.000 1.047 215 V CA 1.616 63.898 62.300 -0.030 0.000 1.015 215 V CB -1.308 30.507 31.823 -0.013 0.000 0.642 215 V HN 0.038 nan 8.190 nan 0.000 0.446 216 L N 0.437 121.606 121.223 -0.091 0.000 2.013 216 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 216 L C 2.529 179.303 176.870 -0.160 0.000 1.073 216 L CA 2.491 57.261 54.840 -0.117 0.000 0.753 216 L CB -0.802 41.168 42.059 -0.149 0.000 0.890 216 L HN 0.374 nan 8.230 nan 0.000 0.432 217 K N -0.907 119.332 120.400 -0.267 0.000 2.032 217 K HA -0.295 4.025 4.320 -0.000 0.000 0.209 217 K C 2.215 178.744 176.600 -0.119 0.000 1.048 217 K CA 2.032 58.176 56.287 -0.239 0.000 0.927 217 K CB -0.343 31.987 32.500 -0.283 0.000 0.712 217 K HN 0.541 nan 8.250 nan 0.000 0.441 218 Q N 0.393 120.141 119.800 -0.087 0.000 2.135 218 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 218 Q C 1.871 177.846 176.000 -0.042 0.000 0.981 218 Q CA 1.668 57.435 55.803 -0.060 0.000 0.856 218 Q CB 0.030 28.744 28.738 -0.039 0.000 0.902 218 Q HN 0.248 nan 8.270 nan 0.000 0.425 219 V N 0.971 120.890 119.914 0.008 0.000 2.295 219 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 219 V C 2.408 178.564 176.094 0.103 0.000 1.049 219 V CA 1.809 64.184 62.300 0.126 0.000 1.024 219 V CB -1.046 30.846 31.823 0.115 0.000 0.648 219 V HN 0.578 nan 8.190 nan 0.000 0.447 220 A N -0.349 122.479 122.820 0.015 0.000 1.883 220 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 220 A C 2.137 179.701 177.584 -0.034 0.000 1.186 220 A CA 2.016 54.052 52.037 -0.003 0.000 0.624 220 A CB -0.529 18.444 19.000 -0.044 0.000 0.822 220 A HN 0.642 nan 8.150 nan 0.000 0.444 221 E N -0.988 119.170 120.200 -0.070 0.000 2.110 221 E HA -0.253 4.097 4.350 -0.000 0.000 0.193 221 E C 2.231 178.732 176.600 -0.164 0.000 0.988 221 E CA 1.427 57.769 56.400 -0.096 0.000 0.804 221 E CB -0.126 29.520 29.700 -0.091 0.000 0.745 221 E HN 0.812 nan 8.360 nan 0.000 0.458 222 Q N -0.664 118.970 119.800 -0.277 0.000 2.163 222 Q HA -0.054 4.286 4.340 -0.000 0.000 0.198 222 Q C 0.969 176.539 176.000 -0.717 0.000 0.954 222 Q CA 0.896 56.348 55.803 -0.585 0.000 0.851 222 Q CB 0.306 28.489 28.738 -0.925 0.000 0.928 222 Q HN 0.217 nan 8.270 nan 0.000 0.459 223 F N -1.057 118.873 119.950 -0.032 0.000 2.706 223 F HA 0.260 4.787 4.527 -0.000 0.000 0.308 223 F C 0.662 176.446 175.800 -0.026 0.000 1.095 223 F CA -0.000 57.982 58.000 -0.029 0.000 1.244 223 F CB 0.810 39.789 39.000 -0.034 0.000 1.063 223 F HN -0.076 nan 8.300 nan 0.000 0.582 224 L N 0.185 121.463 121.223 0.091 0.000 3.141 224 L HA 0.272 4.612 4.340 -0.000 0.000 0.267 224 L C 0.045 176.926 176.870 0.018 0.000 1.281 224 L CA -0.144 54.729 54.840 0.055 0.000 1.037 224 L CB -0.112 41.970 42.059 0.039 0.000 1.407 224 L HN -0.081 nan 8.230 nan 0.000 0.566 225 N N 1.893 120.596 118.700 0.004 0.000 2.918 225 N HA 0.221 4.961 4.740 -0.000 0.000 0.247 225 N C -0.804 174.709 175.510 0.004 0.000 1.117 225 N CA -0.159 52.886 53.050 -0.008 0.000 1.005 225 N CB 0.354 38.822 38.487 -0.031 0.000 1.297 225 N HN 0.033 nan 8.380 nan 0.000 0.513 226 I N 2.913 123.491 120.570 0.013 0.000 2.354 226 I HA 0.343 4.513 4.170 -0.000 0.000 0.286 226 I C 0.620 176.742 176.117 0.008 0.000 1.007 226 I CA -0.529 60.782 61.300 0.019 0.000 1.167 226 I CB 0.840 38.865 38.000 0.040 0.000 1.320 226 I HN 0.271 nan 8.210 nan 0.000 0.458 227 R N 2.907 123.408 120.500 0.000 0.000 2.549 227 R HA 0.741 5.081 4.340 -0.000 0.000 0.267 227 R C 0.805 177.097 176.300 -0.012 0.000 1.045 227 R CA 0.144 56.240 56.100 -0.007 0.000 1.115 227 R CB 1.065 31.360 30.300 -0.009 0.000 1.121 227 R HN 0.868 nan 8.270 nan 0.000 0.543 228 G N -0.251 108.537 108.800 -0.019 0.000 2.484 228 G HA2 0.149 4.109 3.960 -0.000 0.000 0.225 228 G HA3 0.149 4.109 3.960 -0.000 0.000 0.225 228 G C 0.345 175.216 174.900 -0.047 0.000 1.250 228 G CA -0.283 44.799 45.100 -0.030 0.000 0.926 228 G HN 1.234 nan 8.290 nan 0.000 0.581 229 G N -1.511 107.249 108.800 -0.068 0.000 2.539 229 G HA2 0.168 4.128 3.960 -0.000 0.000 0.256 229 G HA3 0.168 4.128 3.960 -0.000 0.000 0.256 229 G C 0.057 174.886 174.900 -0.118 0.000 1.233 229 G CA 0.655 45.684 45.100 -0.118 0.000 0.936 229 G HN 1.721 nan 8.290 nan 0.000 0.571 230 L N 0.500 121.631 121.223 -0.153 0.000 2.319 230 L HA 0.888 5.228 4.340 -0.000 0.000 0.267 230 L C 0.895 177.722 176.870 -0.071 0.000 1.011 230 L CA -0.183 54.592 54.840 -0.109 0.000 0.818 230 L CB 1.852 43.831 42.059 -0.133 0.000 1.316 230 L HN 1.737 nan 8.230 nan 0.000 0.432 231 G N 0.469 109.248 108.800 -0.034 0.000 0.000 231 G HA2 0.511 4.471 3.960 -0.000 0.000 0.000 231 G HA3 0.511 4.471 3.960 -0.000 0.000 0.000 231 G C -1.766 nan 174.900 nan 0.000 0.000 231 G CA -0.348 nan 45.100 nan 0.000 0.000 231 G HN 0.422 nan 8.290 nan 0.000 0.000 232 L N 0.838 122.051 121.223 -0.016 0.000 0.000 232 L HA 0.359 4.699 4.340 -0.000 0.000 0.000 232 L C 0.534 177.413 176.870 0.015 0.000 0.000 232 L CA 0.286 55.120 54.840 -0.010 0.000 0.000 232 L CB -0.248 41.816 42.059 0.008 0.000 0.000 232 L HN 1.128 nan 8.230 nan 0.000 0.000 233 S N -0.779 114.928 115.700 0.013 0.000 2.645 233 S HA 0.917 5.387 4.470 -0.000 0.000 0.266 233 S C 0.414 175.085 174.600 0.118 0.000 1.258 233 S CA 0.128 58.359 58.200 0.052 0.000 0.990 233 S CB 1.753 64.975 63.200 0.037 0.000 0.967 233 S HN 1.304 nan 8.310 nan 0.000 0.556 234 G N -0.350 108.536 108.800 0.143 0.000 1.787 234 G HA2 0.550 4.510 3.960 -0.000 0.000 0.235 234 G HA3 0.550 4.510 3.960 -0.000 0.000 0.235 234 G C -0.373 174.604 174.900 0.128 0.000 1.736 234 G CA -0.462 44.769 45.100 0.217 0.000 0.927 234 G HN 1.191 nan 8.290 nan 0.000 0.646 235 A N 3.211 126.087 122.820 0.094 0.000 2.587 235 A HA 0.444 4.764 4.320 -0.000 0.000 0.235 235 A C 0.992 178.598 177.584 0.037 0.000 1.044 235 A CA 0.344 52.415 52.037 0.057 0.000 0.754 235 A CB 0.281 19.308 19.000 0.045 0.000 0.968 235 A HN 0.585 nan 8.150 nan 0.000 0.509 236 K N 0.776 121.203 120.400 0.045 0.000 2.440 236 K HA 0.252 4.572 4.320 -0.000 0.000 0.270 236 K C 0.509 177.126 176.600 0.028 0.000 0.980 236 K CA 0.647 56.960 56.287 0.043 0.000 0.953 236 K CB 0.481 33.020 32.500 0.065 0.000 0.925 236 K HN 0.798 nan 8.250 nan 0.000 0.497 237 A N 3.480 126.307 122.820 0.012 0.000 2.309 237 A HA 0.180 4.500 4.320 -0.000 0.000 0.290 237 A C -0.238 177.456 177.584 0.184 0.000 1.206 237 A CA -0.461 51.568 52.037 -0.012 0.000 0.850 237 A CB 0.188 19.037 19.000 -0.251 0.000 1.118 237 A HN 0.356 nan 8.150 nan 0.000 0.523 238 K N 3.206 123.744 120.400 0.229 0.000 2.263 238 K HA 0.113 4.433 4.320 -0.000 0.000 0.282 238 K C -0.786 176.037 176.600 0.370 0.000 1.089 238 K CA -0.170 56.274 56.287 0.261 0.000 0.907 238 K CB 0.518 33.106 32.500 0.147 0.000 1.148 238 K HN 0.687 nan 8.250 nan 0.000 0.470 239 Y N 2.972 123.423 120.300 0.253 0.000 2.620 239 Y HA -0.133 4.417 4.550 -0.000 0.000 0.330 239 Y C 1.586 177.518 175.900 0.053 0.000 1.186 239 Y CA 0.928 59.034 58.100 0.010 0.000 1.467 239 Y CB 0.387 38.824 38.460 -0.038 0.000 1.262 239 Y HN 0.697 nan 8.280 nan 0.000 0.550 240 H N 3.694 122.322 119.070 -0.737 0.000 2.326 240 H HA 0.337 4.893 4.556 -0.000 0.000 0.272 240 H C 0.502 175.499 175.328 -0.552 0.000 0.949 240 H CA 0.623 56.411 56.048 -0.433 0.000 1.175 240 H CB 0.727 30.329 29.762 -0.267 0.000 1.462 240 H HN 0.901 nan 8.280 nan 0.000 0.514 241 G N -0.050 108.060 108.800 -1.149 0.000 2.719 241 G HA2 0.296 4.256 3.960 -0.000 0.000 0.686 241 G HA3 0.296 4.256 3.960 -0.000 0.000 0.686 241 G C -0.091 174.352 174.900 -0.761 0.000 1.201 241 G CA -0.304 44.304 45.100 -0.820 0.000 0.768 241 G HN 1.033 nan 8.290 nan 0.000 0.629 242 G N 0.402 108.948 108.800 -0.422 0.000 2.343 242 G HA2 0.779 4.739 3.960 -0.000 0.000 0.289 242 G HA3 0.779 4.739 3.960 -0.000 0.000 0.289 242 G C -0.888 173.913 174.900 -0.165 0.000 1.295 242 G CA 0.707 45.639 45.100 -0.280 0.000 0.869 242 G HN 2.096 nan 8.290 nan 0.000 0.522 243 E N -1.164 118.982 120.200 -0.089 0.000 2.356 243 E HA 0.704 5.054 4.350 -0.000 0.000 0.275 243 E C -1.586 174.997 176.600 -0.028 0.000 0.904 243 E CA -1.033 55.329 56.400 -0.062 0.000 0.757 243 E CB 2.631 32.313 29.700 -0.030 0.000 1.232 243 E HN 0.530 nan 8.360 nan 0.000 0.442 244 I N 1.874 122.420 120.570 -0.041 0.000 2.466 244 I HA 0.413 4.583 4.170 -0.000 0.000 0.289 244 I C -0.583 175.510 176.117 -0.040 0.000 1.026 244 I CA -0.809 60.479 61.300 -0.019 0.000 1.078 244 I CB 1.930 39.926 38.000 -0.006 0.000 1.249 244 I HN 0.375 nan 8.210 nan 0.000 0.429 245 R N 4.517 124.998 120.500 -0.032 0.000 2.437 245 R HA 0.400 4.740 4.340 -0.000 0.000 0.310 245 R C -0.705 175.571 176.300 -0.041 0.000 0.955 245 R CA -0.677 55.384 56.100 -0.065 0.000 0.851 245 R CB 2.232 32.473 30.300 -0.098 0.000 1.161 245 R HN 0.508 nan 8.270 nan 0.000 0.446 246 E N 3.054 123.222 120.200 -0.053 0.000 2.183 246 E HA 0.054 4.404 4.350 -0.000 0.000 0.250 246 E C -1.077 175.484 176.600 -0.066 0.000 0.901 246 E CA -0.726 55.647 56.400 -0.045 0.000 0.741 246 E CB 1.016 30.692 29.700 -0.040 0.000 1.182 246 E HN 0.304 nan 8.360 nan 0.000 0.425 247 Q N 3.211 122.980 119.800 -0.052 0.000 2.296 247 Q HA 0.113 4.453 4.340 -0.000 0.000 0.262 247 Q C -0.308 175.658 176.000 -0.057 0.000 0.981 247 Q CA 0.521 56.291 55.803 -0.054 0.000 0.905 247 Q CB 0.575 29.290 28.738 -0.038 0.000 1.186 247 Q HN 0.661 nan 8.270 nan 0.000 0.399 248 N N 2.355 121.015 118.700 -0.066 0.000 1.997 248 N HA 0.154 4.894 4.740 -0.000 0.000 0.225 248 N C 0.681 176.156 175.510 -0.058 0.000 1.383 248 N CA 0.337 53.346 53.050 -0.069 0.000 0.770 248 N CB 0.220 38.644 38.487 -0.106 0.000 1.178 248 N HN 0.737 nan 8.380 nan 0.000 0.515 249 G N 0.039 108.808 108.800 -0.052 0.000 2.267 249 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.257 249 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.257 249 G C -0.447 174.431 174.900 -0.037 0.000 0.998 249 G CA 0.410 45.483 45.100 -0.043 0.000 0.620 249 G HN 0.484 nan 8.290 nan 0.000 0.529 250 D N 0.719 121.097 120.400 -0.037 0.000 2.515 250 D HA 0.283 4.923 4.640 -0.000 0.000 0.232 250 D C 1.895 178.191 176.300 -0.007 0.000 1.157 250 D CA 0.861 54.851 54.000 -0.018 0.000 0.871 250 D CB 0.855 41.650 40.800 -0.009 0.000 1.200 250 D HN 0.521 nan 8.370 nan 0.000 0.466 251 S N 1.490 117.191 115.700 0.002 0.000 2.419 251 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 251 S C 0.927 175.535 174.600 0.013 0.000 1.016 251 S CA 0.496 58.697 58.200 0.002 0.000 0.974 251 S CB -0.121 63.084 63.200 0.008 0.000 0.786 251 S HN 0.407 nan 8.310 nan 0.000 0.492 252 L N 2.082 123.328 121.223 0.038 0.000 2.307 252 L HA 0.575 4.915 4.340 -0.000 0.000 0.284 252 L C -0.752 176.170 176.870 0.086 0.000 1.023 252 L CA -0.930 53.944 54.840 0.056 0.000 0.810 252 L CB 1.844 43.953 42.059 0.083 0.000 1.231 252 L HN -0.017 nan 8.230 nan 0.000 0.423 253 V N 2.442 122.379 119.914 0.039 0.000 2.439 253 V HA 0.298 4.418 4.120 -0.000 0.000 0.282 253 V C -0.097 176.007 176.094 0.017 0.000 1.039 253 V CA -0.480 61.839 62.300 0.031 0.000 0.913 253 V CB 1.225 33.033 31.823 -0.026 0.000 0.983 253 V HN 0.592 nan 8.190 nan 0.000 0.460 254 H N 3.242 122.265 119.070 -0.078 0.000 2.476 254 H HA 0.753 5.309 4.556 -0.000 0.000 0.328 254 H C -0.156 174.985 175.328 -0.311 0.000 1.073 254 H CA -0.245 55.724 56.048 -0.132 0.000 1.229 254 H CB 2.085 31.846 29.762 -0.000 0.000 1.432 254 H HN 0.781 nan 8.280 nan 0.000 0.477 255 A N 2.178 124.728 122.820 -0.450 0.000 2.539 255 A HA 0.766 5.086 4.320 -0.000 0.000 0.296 255 A C -1.386 175.789 177.584 -0.681 0.000 1.073 255 A CA -0.444 51.324 52.037 -0.449 0.000 0.700 255 A CB 1.800 20.645 19.000 -0.259 0.000 1.296 255 A HN 0.715 nan 8.150 nan 0.000 0.405 256 A N 0.671 123.170 122.820 -0.534 0.000 2.398 256 A HA 0.726 5.046 4.320 -0.000 0.000 0.301 256 A C -1.650 175.649 177.584 -0.475 0.000 1.041 256 A CA -0.370 51.349 52.037 -0.531 0.000 0.711 256 A CB 1.300 19.993 19.000 -0.511 0.000 1.240 256 A HN 1.775 nan 8.150 nan 0.000 0.420 257 L N 3.463 124.317 121.223 -0.614 0.000 2.381 257 L HA 0.839 5.179 4.340 -0.000 0.000 0.274 257 L C -0.474 176.186 176.870 -0.350 0.000 0.988 257 L CA -0.342 54.168 54.840 -0.550 0.000 0.824 257 L CB 1.849 43.419 42.059 -0.814 0.000 1.263 257 L HN 1.201 nan 8.230 nan 0.000 0.410 258 V N 1.718 121.568 119.914 -0.107 0.000 3.202 258 V HA 1.090 5.210 4.120 -0.000 0.000 0.306 258 V C -0.920 175.279 176.094 0.175 0.000 1.283 258 V CA -0.150 62.237 62.300 0.146 0.000 1.065 258 V CB 1.300 33.162 31.823 0.066 0.000 1.079 258 V HN 1.164 nan 8.190 nan 0.000 0.448 259 A N 0.133 123.108 122.820 0.259 0.000 2.566 259 A HA 0.789 5.109 4.320 -0.000 0.000 0.292 259 A C -0.668 176.857 177.584 -0.099 0.000 1.112 259 A CA -0.587 51.479 52.037 0.049 0.000 0.707 259 A CB 1.651 20.671 19.000 0.033 0.000 1.302 259 A HN 1.130 nan 8.150 nan 0.000 0.409 260 E N 0.321 120.194 120.200 -0.544 0.000 2.344 260 E HA 0.367 4.717 4.350 -0.000 0.000 0.270 260 E C 0.743 177.178 176.600 -0.274 0.000 1.021 260 E CA 0.437 56.519 56.400 -0.531 0.000 0.887 260 E CB 0.581 29.741 29.700 -0.900 0.000 0.997 260 E HN 0.718 nan 8.360 nan 0.000 0.429 261 S N 3.488 119.005 115.700 -0.305 0.000 3.064 261 S HA 0.689 5.159 4.470 -0.000 0.000 0.170 261 S C 0.037 174.466 174.600 -0.285 0.000 0.713 261 S CA -0.062 57.748 58.200 -0.649 0.000 0.891 261 S CB 0.321 62.691 63.200 -1.385 0.000 0.772 261 S HN 0.585 nan 8.310 nan 0.000 0.701 262 A N 0.125 122.808 122.820 -0.229 0.000 2.572 262 A HA 0.843 5.163 4.320 -0.000 0.000 0.295 262 A C -0.507 177.090 177.584 0.020 0.000 1.072 262 A CA -0.495 51.541 52.037 -0.002 0.000 0.691 262 A CB 0.898 19.975 19.000 0.129 0.000 1.291 262 A HN 1.289 nan 8.150 nan 0.000 0.404 263 A N 1.037 123.892 122.820 0.059 0.000 2.462 263 A HA 0.517 4.837 4.320 -0.000 0.000 0.243 263 A C 0.431 178.044 177.584 0.049 0.000 1.076 263 A CA -0.137 51.942 52.037 0.070 0.000 0.773 263 A CB -0.127 18.921 19.000 0.080 0.000 1.010 263 A HN 1.089 nan 8.150 nan 0.000 0.493 264 I N 1.481 122.074 120.570 0.037 0.000 2.872 264 I HA 0.255 4.425 4.170 -0.000 0.000 0.291 264 I C 1.479 177.614 176.117 0.030 0.000 1.216 264 I CA 2.018 63.330 61.300 0.021 0.000 1.424 264 I CB 0.603 38.609 38.000 0.010 0.000 1.351 264 I HN 1.126 nan 8.210 nan 0.000 0.592 265 G N 4.079 112.889 108.800 0.017 0.000 2.420 265 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.221 265 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.221 265 G C 0.365 175.270 174.900 0.008 0.000 1.117 265 G CA 0.155 45.261 45.100 0.009 0.000 0.657 265 G HN 0.985 nan 8.290 nan 0.000 0.512 266 S N 1.180 116.894 115.700 0.025 0.000 2.580 266 S HA 0.617 5.087 4.470 -0.000 0.000 0.266 266 S C 1.731 176.343 174.600 0.021 0.000 1.354 266 S CA 0.684 58.900 58.200 0.027 0.000 1.008 266 S CB 1.544 64.772 63.200 0.047 0.000 0.898 266 S HN 1.860 nan 8.310 nan 0.000 0.555 267 A N 0.601 123.429 122.820 0.013 0.000 1.929 267 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 267 A C 2.120 179.710 177.584 0.010 0.000 1.176 267 A CA 1.401 53.438 52.037 -0.001 0.000 0.628 267 A CB -1.101 17.893 19.000 -0.011 0.000 0.816 267 A HN 1.020 nan 8.150 nan 0.000 0.444 268 E N 0.124 120.346 120.200 0.036 0.000 2.209 268 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 268 E C 1.982 178.674 176.600 0.152 0.000 0.993 268 E CA 0.956 57.394 56.400 0.063 0.000 0.819 268 E CB -0.232 29.538 29.700 0.116 0.000 0.745 268 E HN 0.553 nan 8.360 nan 0.000 0.477 269 A N 1.209 124.117 122.820 0.146 0.000 1.972 269 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 269 A C 1.859 179.516 177.584 0.121 0.000 1.169 269 A CA 1.457 53.595 52.037 0.168 0.000 0.635 269 A CB -0.453 18.596 19.000 0.082 0.000 0.810 269 A HN 0.272 nan 8.150 nan 0.000 0.446 270 N N 0.469 119.196 118.700 0.044 0.000 2.244 270 N HA -0.049 4.691 4.740 -0.000 0.000 0.183 270 N C 1.797 177.299 175.510 -0.012 0.000 1.016 270 N CA 1.351 54.404 53.050 0.005 0.000 0.866 270 N CB -0.484 37.983 38.487 -0.033 0.000 0.980 270 N HN 0.482 nan 8.380 nan 0.000 0.430 271 A N 0.275 123.060 122.820 -0.058 0.000 1.930 271 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 271 A C 1.907 179.348 177.584 -0.237 0.000 1.175 271 A CA 0.765 52.701 52.037 -0.169 0.000 0.627 271 A CB -0.728 18.113 19.000 -0.265 0.000 0.815 271 A HN 0.126 nan 8.150 nan 0.000 0.443 272 F N 0.825 120.691 119.950 -0.140 0.000 2.186 272 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 272 F C 2.768 178.519 175.800 -0.082 0.000 1.090 272 F CA 1.599 59.444 58.000 -0.259 0.000 1.307 272 F CB -0.353 38.513 39.000 -0.224 0.000 1.019 272 F HN 0.141 nan 8.300 nan 0.000 0.489 273 S N -0.496 115.312 115.700 0.179 0.000 2.402 273 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 273 S C 2.285 177.028 174.600 0.239 0.000 1.021 273 S CA 1.107 59.434 58.200 0.212 0.000 0.974 273 S CB -0.431 62.854 63.200 0.141 0.000 0.800 273 S HN 0.136 nan 8.310 nan 0.000 0.484 274 V N 1.683 121.662 119.914 0.108 0.000 2.379 274 V HA -0.063 4.057 4.120 -0.000 0.000 0.245 274 V C 2.195 178.353 176.094 0.106 0.000 1.044 274 V CA 1.206 63.562 62.300 0.092 0.000 1.036 274 V CB -0.567 31.256 31.823 -0.001 0.000 0.664 274 V HN 0.374 nan 8.190 nan 0.000 0.453 275 L N 0.427 121.657 121.223 0.012 0.000 2.042 275 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 275 L C 2.488 179.474 176.870 0.193 0.000 1.076 275 L CA 2.359 57.200 54.840 0.001 0.000 0.749 275 L CB -0.917 40.990 42.059 -0.254 0.000 0.893 275 L HN 0.454 nan 8.230 nan 0.000 0.432 276 Q N -1.323 118.668 119.800 0.318 0.000 2.096 276 Q HA -0.286 4.054 4.340 -0.000 0.000 0.204 276 Q C 2.019 178.072 176.000 0.088 0.000 0.982 276 Q CA 2.261 58.268 55.803 0.339 0.000 0.850 276 Q CB -0.208 28.714 28.738 0.307 0.000 0.901 276 Q HN 0.704 nan 8.270 nan 0.000 0.422 277 H N -1.045 118.116 119.070 0.152 0.000 2.502 277 H HA 0.007 4.563 4.556 -0.000 0.000 0.283 277 H C 1.935 177.322 175.328 0.100 0.000 1.015 277 H CA 1.026 57.148 56.048 0.122 0.000 1.298 277 H CB 0.325 30.149 29.762 0.103 0.000 1.411 277 H HN 0.051 nan 8.280 nan 0.000 0.556 278 V N 0.437 120.456 119.914 0.175 0.000 2.358 278 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 278 V C 2.248 178.405 176.094 0.105 0.000 1.047 278 V CA 1.506 63.874 62.300 0.113 0.000 1.035 278 V CB -0.406 31.465 31.823 0.079 0.000 0.658 278 V HN 0.382 nan 8.190 nan 0.000 0.452 279 L N -0.149 121.147 121.223 0.123 0.000 2.093 279 L HA 0.194 4.534 4.340 -0.000 0.000 0.208 279 L C 1.078 178.008 176.870 0.100 0.000 1.085 279 L CA 1.210 56.118 54.840 0.113 0.000 0.755 279 L CB -0.479 41.672 42.059 0.154 0.000 0.904 279 L HN 0.576 nan 8.230 nan 0.000 0.435 280 G N -0.659 108.193 108.800 0.086 0.000 3.305 280 G HA2 0.198 4.157 3.960 -0.000 0.000 0.649 280 G HA3 0.198 4.157 3.960 -0.000 0.000 0.649 280 G C -0.509 174.414 174.900 0.039 0.000 1.255 280 G CA -0.448 44.704 45.100 0.086 0.000 1.137 280 G HN 0.227 nan 8.290 nan 0.000 0.535 281 A N 1.146 123.952 122.820 -0.024 0.000 2.812 281 A HA 0.975 5.295 4.320 -0.000 0.000 0.294 281 A C 1.081 178.637 177.584 -0.047 0.000 1.014 281 A CA 0.807 52.787 52.037 -0.095 0.000 1.024 281 A CB 0.041 18.826 19.000 -0.357 0.000 1.162 281 A HN 2.836 nan 8.150 nan 0.000 0.511 282 G N 0.854 109.659 108.800 0.008 0.000 2.592 282 G HA2 0.191 4.151 3.960 -0.000 0.000 0.685 282 G HA3 0.191 4.151 3.960 -0.000 0.000 0.685 282 G C -2.877 172.005 174.900 -0.030 0.000 1.278 282 G CA -0.487 44.603 45.100 -0.018 0.000 0.822 282 G HN 0.402 nan 8.290 nan 0.000 0.652 283 P HA 0.239 nan 4.420 nan 0.000 0.269 283 P C -0.085 177.148 177.300 -0.110 0.000 1.209 283 P CA 0.026 63.098 63.100 -0.047 0.000 0.776 283 P CB 0.827 32.495 31.700 -0.053 0.000 0.876 284 H N -0.434 118.620 119.070 -0.028 0.000 3.017 284 H HA 0.234 4.790 4.556 -0.000 0.000 0.255 284 H C -0.080 175.237 175.328 -0.019 0.000 0.990 284 H CA 0.314 56.355 56.048 -0.011 0.000 1.205 284 H CB 1.357 31.117 29.762 -0.003 0.000 1.460 284 H HN 0.101 nan 8.280 nan 0.000 0.478 285 V N 2.068 122.026 119.914 0.073 0.000 2.588 285 V HA 0.129 4.249 4.120 -0.000 0.000 0.304 285 V C 0.137 176.227 176.094 -0.007 0.000 1.042 285 V CA -1.136 61.180 62.300 0.026 0.000 0.877 285 V CB 2.823 34.655 31.823 0.015 0.000 0.996 285 V HN 0.070 nan 8.190 nan 0.000 0.425 286 K N 4.227 124.622 120.400 -0.007 0.000 2.430 286 K HA 0.132 4.452 4.320 -0.000 0.000 0.280 286 K C 0.685 177.272 176.600 -0.021 0.000 1.063 286 K CA 0.343 56.621 56.287 -0.015 0.000 1.071 286 K CB -0.084 32.410 32.500 -0.009 0.000 0.899 286 K HN 0.663 nan 8.250 nan 0.000 0.473 287 R N 0.887 121.369 120.500 -0.031 0.000 3.878 287 R HA -0.164 4.176 4.340 -0.000 0.000 0.330 287 R C 0.508 176.778 176.300 -0.049 0.000 1.186 287 R CA 0.552 56.631 56.100 -0.036 0.000 0.885 287 R CB -2.212 28.075 30.300 -0.022 0.000 1.377 287 R HN 0.842 nan 8.270 nan 0.000 0.523 288 G N 0.110 108.872 108.800 -0.063 0.000 2.634 288 G HA2 0.250 4.210 3.960 -0.000 0.000 0.255 288 G HA3 0.250 4.210 3.960 -0.000 0.000 0.255 288 G C 0.830 175.647 174.900 -0.138 0.000 1.205 288 G CA 0.068 45.121 45.100 -0.077 0.000 0.884 288 G HN 0.245 nan 8.290 nan 0.000 0.549 289 S N -0.521 115.101 115.700 -0.130 0.000 2.593 289 S HA 0.006 4.476 4.470 -0.000 0.000 0.217 289 S C 0.789 175.200 174.600 -0.315 0.000 0.966 289 S CA 0.189 58.285 58.200 -0.173 0.000 0.914 289 S CB -0.242 62.922 63.200 -0.061 0.000 0.776 289 S HN 0.677 nan 8.310 nan 0.000 0.523 290 N N 1.076 119.600 118.700 -0.295 0.000 2.727 290 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 290 N C 0.931 176.356 175.510 -0.140 0.000 1.040 290 N CA 0.711 53.589 53.050 -0.288 0.000 0.712 290 N CB -1.576 36.524 38.487 -0.644 0.000 0.912 290 N HN 0.629 nan 8.380 nan 0.000 0.545 291 A N 0.498 123.270 122.820 -0.079 0.000 1.927 291 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 291 A C 2.087 179.666 177.584 -0.008 0.000 1.185 291 A CA 2.481 54.502 52.037 -0.028 0.000 0.639 291 A CB -0.534 18.451 19.000 -0.025 0.000 0.820 291 A HN 0.694 nan 8.150 nan 0.000 0.451 292 T N -3.166 111.376 114.554 -0.020 0.000 3.206 292 T HA 0.320 4.670 4.350 -0.000 0.000 0.253 292 T C 0.429 175.145 174.700 0.026 0.000 1.042 292 T CA 0.545 62.643 62.100 -0.003 0.000 0.931 292 T CB -0.327 68.523 68.868 -0.030 0.000 1.029 292 T HN 0.259 nan 8.240 nan 0.000 0.564 293 S N 1.153 116.879 115.700 0.044 0.000 2.415 293 S HA 0.368 4.838 4.470 -0.000 0.000 0.313 293 S C 1.496 176.169 174.600 0.121 0.000 1.067 293 S CA -0.225 58.031 58.200 0.094 0.000 1.099 293 S CB 0.690 63.963 63.200 0.122 0.000 0.991 293 S HN 0.478 nan 8.310 nan 0.000 0.491 294 S N 5.141 120.896 115.700 0.091 0.000 2.365 294 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 294 S C 1.758 176.403 174.600 0.075 0.000 1.039 294 S CA 1.510 59.754 58.200 0.074 0.000 1.033 294 S CB -0.543 62.692 63.200 0.058 0.000 0.887 294 S HN 0.808 nan 8.310 nan 0.000 0.447 295 L N -0.694 120.577 121.223 0.080 0.000 2.027 295 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 295 L C 2.488 179.407 176.870 0.083 0.000 1.074 295 L CA 1.910 56.769 54.840 0.031 0.000 0.745 295 L CB -0.681 41.384 42.059 0.010 0.000 0.898 295 L HN 0.421 nan 8.230 nan 0.000 0.433 296 Y N 0.677 121.022 120.300 0.075 0.000 2.181 296 Y HA -0.288 4.262 4.550 -0.000 0.000 0.288 296 Y C 2.833 178.831 175.900 0.163 0.000 1.146 296 Y CA 1.533 59.737 58.100 0.174 0.000 1.164 296 Y CB -0.047 38.494 38.460 0.134 0.000 0.982 296 Y HN 0.193 nan 8.280 nan 0.000 0.515 297 Q N -0.274 119.716 119.800 0.317 0.000 2.079 297 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 297 Q C 2.555 178.608 176.000 0.088 0.000 0.974 297 Q CA 1.386 57.312 55.803 0.205 0.000 0.840 297 Q CB -0.942 27.874 28.738 0.130 0.000 0.898 297 Q HN 0.579 nan 8.270 nan 0.000 0.430 298 A N 0.373 123.210 122.820 0.029 0.000 1.877 298 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 298 A C 2.458 179.966 177.584 -0.127 0.000 1.186 298 A CA 1.659 53.670 52.037 -0.043 0.000 0.620 298 A CB -0.726 18.238 19.000 -0.060 0.000 0.822 298 A HN 0.204 nan 8.150 nan 0.000 0.443 299 V N -0.040 119.745 119.914 -0.215 0.000 2.295 299 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 299 V C 3.057 178.866 176.094 -0.476 0.000 1.049 299 V CA 1.913 63.922 62.300 -0.486 0.000 1.024 299 V CB -1.343 29.962 31.823 -0.864 0.000 0.648 299 V HN 0.612 nan 8.190 nan 0.000 0.447 300 A N -0.291 122.438 122.820 -0.152 0.000 1.978 300 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 300 A C 2.267 179.786 177.584 -0.108 0.000 1.170 300 A CA 2.171 54.240 52.037 0.053 0.000 0.636 300 A CB -0.482 18.689 19.000 0.285 0.000 0.810 300 A HN 0.577 nan 8.150 nan 0.000 0.448 301 K N -1.121 119.231 120.400 -0.080 0.000 2.057 301 K HA -0.097 4.223 4.320 -0.000 0.000 0.207 301 K C 2.010 178.545 176.600 -0.107 0.000 1.049 301 K CA 1.353 57.610 56.287 -0.050 0.000 0.931 301 K CB -0.333 32.156 32.500 -0.018 0.000 0.714 301 K HN 0.473 nan 8.250 nan 0.000 0.440 302 G N 0.496 109.188 108.800 -0.179 0.000 2.595 302 G HA2 0.046 4.006 3.960 -0.000 0.000 0.213 302 G HA3 0.046 4.006 3.960 -0.000 0.000 0.213 302 G C 0.304 175.057 174.900 -0.245 0.000 1.141 302 G CA 0.278 45.287 45.100 -0.151 0.000 0.806 302 G HN 0.193 nan 8.290 nan 0.000 0.530 303 V N -2.548 117.108 119.914 -0.431 0.000 2.581 303 V HA 0.726 4.845 4.120 -0.000 0.000 0.303 303 V C -0.075 175.718 176.094 -0.502 0.000 1.041 303 V CA -0.979 61.106 62.300 -0.357 0.000 0.907 303 V CB 1.496 33.108 31.823 -0.352 0.000 0.994 303 V HN 0.217 nan 8.190 nan 0.000 0.442 304 H N 1.581 120.681 119.070 0.050 0.000 2.785 304 H HA 0.403 4.959 4.556 -0.000 0.000 0.268 304 H C 0.207 175.594 175.328 0.097 0.000 1.153 304 H CA -0.331 55.769 56.048 0.087 0.000 1.111 304 H CB 0.522 30.316 29.762 0.054 0.000 1.633 304 H HN 0.663 nan 8.280 nan 0.000 0.576 305 Q N 0.641 120.539 119.800 0.163 0.000 2.195 305 Q HA 0.365 4.705 4.340 -0.000 0.000 0.250 305 Q C -2.313 173.786 176.000 0.166 0.000 0.988 305 Q CA -2.253 53.631 55.803 0.135 0.000 0.911 305 Q CB 0.439 29.237 28.738 0.100 0.000 1.258 305 Q HN 0.105 nan 8.270 nan 0.000 0.475 306 P HA 0.207 nan 4.420 nan 0.000 0.269 306 P C -0.879 176.497 177.300 0.126 0.000 1.215 306 P CA 0.074 63.205 63.100 0.052 0.000 0.780 306 P CB 0.317 32.029 31.700 0.020 0.000 0.898 307 F N -1.242 118.676 119.950 -0.054 0.000 2.978 307 F HA 0.733 5.260 4.527 -0.000 0.000 0.324 307 F C -2.222 173.517 175.800 -0.101 0.000 1.157 307 F CA -1.005 56.935 58.000 -0.099 0.000 0.879 307 F CB 1.074 39.977 39.000 -0.161 0.000 1.364 307 F HN 0.190 nan 8.300 nan 0.000 0.465 308 D N 0.453 120.945 120.400 0.153 0.000 2.717 308 D HA 0.632 5.272 4.640 -0.000 0.000 0.223 308 D C -2.024 174.434 176.300 0.263 0.000 1.240 308 D CA -0.252 53.793 54.000 0.075 0.000 0.801 308 D CB 2.687 43.528 40.800 0.069 0.000 1.556 308 D HN 0.919 nan 8.370 nan 0.000 0.462 309 V N 1.411 121.476 119.914 0.251 0.000 3.120 309 V HA 0.887 5.007 4.120 -0.000 0.000 0.303 309 V C -1.692 174.546 176.094 0.240 0.000 1.238 309 V CA -0.082 62.355 62.300 0.228 0.000 1.008 309 V CB 2.051 33.941 31.823 0.112 0.000 1.064 309 V HN 0.640 nan 8.190 nan 0.000 0.434 310 S N 3.731 119.571 115.700 0.233 0.000 2.543 310 S HA 0.823 5.293 4.470 -0.000 0.000 0.274 310 S C -0.483 174.230 174.600 0.188 0.000 1.149 310 S CA 0.108 58.420 58.200 0.187 0.000 0.866 310 S CB 1.596 64.886 63.200 0.151 0.000 1.111 310 S HN 2.111 nan 8.310 nan 0.000 0.457 311 A N 2.577 125.458 122.820 0.103 0.000 2.386 311 A HA 0.673 4.993 4.320 -0.000 0.000 0.248 311 A C -0.664 176.936 177.584 0.026 0.000 1.082 311 A CA -0.132 51.914 52.037 0.016 0.000 0.789 311 A CB -0.045 18.958 19.000 0.005 0.000 1.025 311 A HN 1.149 nan 8.150 nan 0.000 0.490 312 F N 1.627 121.395 119.950 -0.303 0.000 2.518 312 F HA 0.594 5.121 4.527 -0.000 0.000 0.323 312 F C -0.563 175.081 175.800 -0.259 0.000 1.129 312 F CA -0.726 57.158 58.000 -0.194 0.000 0.920 312 F CB 1.711 40.654 39.000 -0.095 0.000 1.160 312 F HN 0.568 nan 8.300 nan 0.000 0.440 313 N N 4.329 122.641 118.700 -0.647 0.000 2.480 313 N HA 0.697 5.437 4.740 -0.000 0.000 0.289 313 N C -1.884 173.318 175.510 -0.513 0.000 1.073 313 N CA -0.327 52.524 53.050 -0.331 0.000 0.885 313 N CB 1.909 40.420 38.487 0.041 0.000 1.421 313 N HN 0.790 nan 8.380 nan 0.000 0.503 314 A N 2.192 124.774 122.820 -0.397 0.000 2.332 314 A HA 0.666 4.986 4.320 -0.000 0.000 0.300 314 A C -0.844 176.491 177.584 -0.415 0.000 1.153 314 A CA -0.610 51.190 52.037 -0.394 0.000 0.764 314 A CB 1.131 20.035 19.000 -0.159 0.000 1.174 314 A HN 0.443 nan 8.150 nan 0.000 0.467 315 S N 1.543 116.935 115.700 -0.514 0.000 2.473 315 S HA 0.787 5.257 4.470 -0.000 0.000 0.307 315 S C -1.233 173.038 174.600 -0.548 0.000 1.094 315 S CA -0.228 57.741 58.200 -0.386 0.000 1.070 315 S CB 0.250 63.355 63.200 -0.157 0.000 1.019 315 S HN 0.481 nan 8.310 nan 0.000 0.480 316 Y N 0.993 121.329 120.300 0.061 0.000 2.659 316 Y HA 0.331 4.881 4.550 -0.000 0.000 0.333 316 Y C 1.841 177.765 175.900 0.040 0.000 1.064 316 Y CA -0.699 57.427 58.100 0.044 0.000 1.141 316 Y CB 0.843 39.317 38.460 0.023 0.000 1.316 316 Y HN 0.672 nan 8.280 nan 0.000 0.509 317 S N -0.263 115.566 115.700 0.215 0.000 2.387 317 S HA -0.216 4.254 4.470 -0.000 0.000 0.230 317 S C 0.640 175.309 174.600 0.116 0.000 1.035 317 S CA 2.070 60.352 58.200 0.136 0.000 1.014 317 S CB -0.396 62.879 63.200 0.125 0.000 0.836 317 S HN 0.811 nan 8.310 nan 0.000 0.466 318 D N -0.595 119.879 120.400 0.123 0.000 2.563 318 D HA 0.482 5.122 4.640 -0.000 0.000 0.237 318 D C 0.149 176.532 176.300 0.138 0.000 1.282 318 D CA -0.066 53.998 54.000 0.107 0.000 0.816 318 D CB 0.283 41.130 40.800 0.079 0.000 1.066 318 D HN 0.337 nan 8.370 nan 0.000 0.501 319 S N -1.804 114.008 115.700 0.187 0.000 2.660 319 S HA 0.695 5.165 4.470 -0.000 0.000 0.264 319 S C -1.506 173.258 174.600 0.273 0.000 1.131 319 S CA -0.210 58.136 58.200 0.243 0.000 0.846 319 S CB 1.022 64.436 63.200 0.357 0.000 1.151 319 S HN 0.623 nan 8.310 nan 0.000 0.486 320 G N 0.414 109.375 108.800 0.268 0.000 2.632 320 G HA2 0.587 4.547 3.960 -0.000 0.000 0.292 320 G HA3 0.587 4.547 3.960 -0.000 0.000 0.292 320 G C -2.377 172.616 174.900 0.155 0.000 1.465 320 G CA -0.605 44.594 45.100 0.164 0.000 0.824 320 G HN 0.757 nan 8.290 nan 0.000 0.509 321 L N 0.623 121.943 121.223 0.162 0.000 2.385 321 L HA 0.738 5.078 4.340 -0.000 0.000 0.273 321 L C -1.284 175.704 176.870 0.197 0.000 0.990 321 L CA -0.812 54.146 54.840 0.196 0.000 0.821 321 L CB 2.287 44.538 42.059 0.319 0.000 1.279 321 L HN 0.562 nan 8.230 nan 0.000 0.412 322 F N 1.776 121.749 119.950 0.038 0.000 2.578 322 F HA 0.878 5.405 4.527 -0.000 0.000 0.311 322 F C 0.036 175.923 175.800 0.145 0.000 1.094 322 F CA 0.044 58.080 58.000 0.060 0.000 0.923 322 F CB 2.192 41.113 39.000 -0.132 0.000 1.230 322 F HN 0.524 nan 8.300 nan 0.000 0.450 323 G N 3.186 111.427 108.800 -0.932 0.000 2.552 323 G HA2 0.383 4.343 3.960 -0.000 0.000 0.137 323 G HA3 0.383 4.343 3.960 -0.000 0.000 0.137 323 G C -1.845 172.730 174.900 -0.541 0.000 1.135 323 G CA -0.051 44.618 45.100 -0.719 0.000 1.047 323 G HN 1.052 nan 8.290 nan 0.000 0.501 324 F N -1.526 118.277 119.950 -0.245 0.000 2.643 324 F HA 0.879 5.406 4.527 -0.000 0.000 0.314 324 F C -1.508 174.287 175.800 -0.008 0.000 1.096 324 F CA -1.940 55.998 58.000 -0.103 0.000 0.953 324 F CB 1.806 40.756 39.000 -0.084 0.000 1.345 324 F HN 0.615 nan 8.300 nan 0.000 0.468 325 Y N 1.254 121.669 120.300 0.192 0.000 2.376 325 Y HA 0.668 5.217 4.550 -0.000 0.000 0.340 325 Y C -0.632 175.363 175.900 0.160 0.000 0.965 325 Y CA -0.569 57.580 58.100 0.082 0.000 1.078 325 Y CB 1.989 40.485 38.460 0.060 0.000 1.193 325 Y HN 0.976 nan 8.280 nan 0.000 0.452 326 T N 4.381 118.962 114.554 0.045 0.000 2.900 326 T HA 0.781 5.131 4.350 -0.000 0.000 0.295 326 T C -1.098 173.578 174.700 -0.040 0.000 1.044 326 T CA -0.728 61.429 62.100 0.095 0.000 0.995 326 T CB 1.488 70.395 68.868 0.065 0.000 1.072 326 T HN 0.518 nan 8.240 nan 0.000 0.473 327 I N 2.646 123.218 120.570 0.003 0.000 2.478 327 I HA 0.599 4.769 4.170 -0.000 0.000 0.287 327 I C -0.172 175.933 176.117 -0.020 0.000 1.042 327 I CA -0.576 60.635 61.300 -0.149 0.000 1.067 327 I CB 2.062 39.917 38.000 -0.242 0.000 1.233 327 I HN 1.048 nan 8.210 nan 0.000 0.431 328 S N 4.261 119.943 115.700 -0.031 0.000 2.625 328 S HA 0.478 4.948 4.470 -0.000 0.000 0.271 328 S C -1.096 173.513 174.600 0.015 0.000 1.161 328 S CA -1.077 57.140 58.200 0.028 0.000 0.820 328 S CB 1.780 64.985 63.200 0.008 0.000 1.137 328 S HN 0.555 nan 8.310 nan 0.000 0.470 329 Q N 0.315 120.134 119.800 0.032 0.000 2.392 329 Q HA 0.364 4.704 4.340 -0.000 0.000 0.262 329 Q C 1.631 177.636 176.000 0.008 0.000 1.003 329 Q CA 0.230 56.047 55.803 0.022 0.000 0.888 329 Q CB 0.821 29.578 28.738 0.032 0.000 1.260 329 Q HN 0.897 nan 8.270 nan 0.000 0.435 330 A N 2.593 125.409 122.820 -0.007 0.000 1.927 330 A HA -0.277 4.043 4.320 -0.000 0.000 0.220 330 A C 2.033 179.606 177.584 -0.018 0.000 1.185 330 A CA 2.243 54.263 52.037 -0.029 0.000 0.639 330 A CB -0.843 18.120 19.000 -0.061 0.000 0.820 330 A HN 0.870 nan 8.150 nan 0.000 0.451 331 A N -0.944 121.872 122.820 -0.006 0.000 2.067 331 A HA 0.054 4.374 4.320 -0.000 0.000 0.219 331 A C 2.025 179.714 177.584 0.175 0.000 1.158 331 A CA 1.722 53.822 52.037 0.104 0.000 0.661 331 A CB -0.424 18.626 19.000 0.083 0.000 0.801 331 A HN 0.492 nan 8.150 nan 0.000 0.452 332 S N -0.470 115.272 115.700 0.070 0.000 2.557 332 S HA 0.426 4.896 4.470 -0.000 0.000 0.223 332 S C 1.736 176.329 174.600 -0.011 0.000 0.969 332 S CA 0.304 58.519 58.200 0.024 0.000 0.927 332 S CB 0.285 63.484 63.200 -0.003 0.000 0.806 332 S HN 0.705 nan 8.310 nan 0.000 0.489 333 A N 2.310 125.135 122.820 0.008 0.000 1.865 333 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 333 A C 2.290 179.857 177.584 -0.028 0.000 1.191 333 A CA 1.854 53.879 52.037 -0.021 0.000 0.623 333 A CB -1.505 17.483 19.000 -0.020 0.000 0.826 333 A HN 0.522 nan 8.150 nan 0.000 0.444 334 G N -0.255 108.537 108.800 -0.013 0.000 2.440 334 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 334 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 334 G C 1.159 176.038 174.900 -0.034 0.000 1.154 334 G CA 1.277 46.363 45.100 -0.022 0.000 0.767 334 G HN 0.483 nan 8.290 nan 0.000 0.552 335 D N 0.266 120.635 120.400 -0.053 0.000 2.104 335 D HA -0.101 4.539 4.640 -0.000 0.000 0.194 335 D C 2.790 179.013 176.300 -0.128 0.000 0.994 335 D CA 0.957 54.910 54.000 -0.079 0.000 0.830 335 D CB -0.539 40.212 40.800 -0.083 0.000 0.959 335 D HN 0.217 nan 8.370 nan 0.000 0.452 336 V N 1.321 121.138 119.914 -0.162 0.000 2.295 336 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 336 V C 2.573 178.566 176.094 -0.169 0.000 1.049 336 V CA 1.098 63.248 62.300 -0.250 0.000 1.024 336 V CB -0.356 31.314 31.823 -0.255 0.000 0.648 336 V HN 0.165 nan 8.190 nan 0.000 0.447 337 I N -0.289 120.252 120.570 -0.048 0.000 2.142 337 I HA -0.274 3.896 4.170 -0.000 0.000 0.240 337 I C 2.560 178.739 176.117 0.103 0.000 1.078 337 I CA 1.768 63.123 61.300 0.092 0.000 1.343 337 I CB -0.439 37.626 38.000 0.108 0.000 1.046 337 I HN 0.265 nan 8.210 nan 0.000 0.405 338 K N 0.900 121.341 120.400 0.069 0.000 2.097 338 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 338 K C 2.262 178.890 176.600 0.048 0.000 1.049 338 K CA 1.465 57.822 56.287 0.117 0.000 0.933 338 K CB -0.299 32.242 32.500 0.067 0.000 0.717 338 K HN 0.316 nan 8.250 nan 0.000 0.442 339 A N 1.659 124.440 122.820 -0.064 0.000 1.902 339 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 339 A C 2.412 179.894 177.584 -0.169 0.000 1.181 339 A CA 1.870 53.834 52.037 -0.121 0.000 0.623 339 A CB -0.760 18.125 19.000 -0.192 0.000 0.818 339 A HN 0.329 nan 8.150 nan 0.000 0.443 340 A N -1.595 121.042 122.820 -0.306 0.000 1.902 340 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 340 A C 2.174 179.511 177.584 -0.411 0.000 1.181 340 A CA 1.741 53.439 52.037 -0.565 0.000 0.623 340 A CB -0.794 17.491 19.000 -1.192 0.000 0.818 340 A HN 0.638 nan 8.150 nan 0.000 0.443 341 Y N 1.613 121.735 120.300 -0.297 0.000 2.114 341 Y HA -0.192 4.358 4.550 -0.000 0.000 0.284 341 Y C 2.218 178.182 175.900 0.106 0.000 1.143 341 Y CA 1.708 59.901 58.100 0.155 0.000 1.135 341 Y CB -0.587 38.068 38.460 0.325 0.000 0.980 341 Y HN 0.336 nan 8.280 nan 0.000 0.499 342 N N 0.356 119.078 118.700 0.036 0.000 2.137 342 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 342 N C 1.826 177.307 175.510 -0.048 0.000 1.017 342 N CA 1.588 54.598 53.050 -0.067 0.000 0.859 342 N CB -0.551 37.912 38.487 -0.041 0.000 1.002 342 N HN 0.440 nan 8.380 nan 0.000 0.428 343 Q N 0.924 120.702 119.800 -0.037 0.000 2.167 343 Q HA 0.001 4.341 4.340 -0.000 0.000 0.202 343 Q C 1.686 177.697 176.000 0.019 0.000 0.970 343 Q CA 0.993 56.781 55.803 -0.025 0.000 0.855 343 Q CB -0.119 28.587 28.738 -0.053 0.000 0.911 343 Q HN 0.175 nan 8.270 nan 0.000 0.438 344 V N 0.336 120.293 119.914 0.073 0.000 2.719 344 V HA -0.144 3.976 4.120 -0.000 0.000 0.252 344 V C 2.036 178.205 176.094 0.125 0.000 1.065 344 V CA 1.716 64.111 62.300 0.159 0.000 1.086 344 V CB -0.434 31.597 31.823 0.346 0.000 0.700 344 V HN 0.300 nan 8.190 nan 0.000 0.467 345 K N 0.769 121.184 120.400 0.026 0.000 2.057 345 K HA -0.158 4.161 4.320 -0.000 0.000 0.206 345 K C 2.357 178.949 176.600 -0.014 0.000 1.050 345 K CA 1.914 58.176 56.287 -0.041 0.000 0.935 345 K CB -0.458 31.943 32.500 -0.166 0.000 0.715 345 K HN 0.706 nan 8.250 nan 0.000 0.439 346 T N 0.116 114.663 114.554 -0.011 0.000 2.833 346 T HA -0.096 4.254 4.350 -0.000 0.000 0.269 346 T C 1.856 176.559 174.700 0.006 0.000 1.054 346 T CA 0.839 62.935 62.100 -0.007 0.000 1.135 346 T CB -0.211 68.653 68.868 -0.007 0.000 0.869 346 T HN -0.038 nan 8.240 nan 0.000 0.466 347 I N 2.434 123.016 120.570 0.021 0.000 2.252 347 I HA -0.001 4.169 4.170 -0.000 0.000 0.245 347 I C 3.146 179.273 176.117 0.017 0.000 1.102 347 I CA 1.272 62.585 61.300 0.022 0.000 1.385 347 I CB -1.758 36.265 38.000 0.038 0.000 1.064 347 I HN 0.384 nan 8.210 nan 0.000 0.414 348 A N 0.307 123.148 122.820 0.035 0.000 2.070 348 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 348 A C 1.999 179.588 177.584 0.009 0.000 1.159 348 A CA 1.038 53.094 52.037 0.031 0.000 0.656 348 A CB -0.601 18.436 19.000 0.062 0.000 0.800 348 A HN 0.566 nan 8.150 nan 0.000 0.453 349 Q N -1.400 118.401 119.800 0.002 0.000 2.322 349 Q HA 0.303 4.643 4.340 -0.000 0.000 0.203 349 Q C 1.090 177.086 176.000 -0.006 0.000 0.923 349 Q CA 0.310 56.110 55.803 -0.005 0.000 0.949 349 Q CB 0.090 28.822 28.738 -0.010 0.000 1.039 349 Q HN 0.819 nan 8.270 nan 0.000 0.496 350 G N 1.238 110.034 108.800 -0.007 0.000 2.195 350 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.246 350 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.246 350 G C -0.032 174.863 174.900 -0.008 0.000 0.984 350 G CA -0.367 44.727 45.100 -0.010 0.000 0.633 350 G HN 0.347 nan 8.290 nan 0.000 0.525 351 N N 0.619 119.316 118.700 -0.005 0.000 2.466 351 N HA 0.415 5.155 4.740 -0.000 0.000 0.263 351 N C -0.591 174.918 175.510 -0.001 0.000 1.178 351 N CA 0.573 53.621 53.050 -0.003 0.000 0.983 351 N CB 1.239 39.725 38.487 -0.002 0.000 1.331 351 N HN 0.602 nan 8.380 nan 0.000 0.500 352 L N 0.855 122.076 121.223 -0.003 0.000 2.639 352 L HA 0.267 4.607 4.340 -0.000 0.000 0.264 352 L C -0.704 176.163 176.870 -0.005 0.000 0.948 352 L CA -0.409 54.429 54.840 -0.003 0.000 0.912 352 L CB 1.625 43.679 42.059 -0.007 0.000 1.294 352 L HN 0.120 nan 8.230 nan 0.000 0.412 353 S N 3.427 119.126 115.700 -0.002 0.000 2.580 353 S HA 0.197 4.667 4.470 -0.000 0.000 0.274 353 S C 1.118 175.714 174.600 -0.006 0.000 1.329 353 S CA -0.210 57.988 58.200 -0.003 0.000 1.036 353 S CB 0.950 64.150 63.200 -0.001 0.000 0.919 353 S HN 0.823 nan 8.310 nan 0.000 0.515 354 N N 2.708 121.403 118.700 -0.008 0.000 2.223 354 N HA -0.066 4.674 4.740 -0.000 0.000 0.185 354 N C -1.234 174.271 175.510 -0.009 0.000 1.016 354 N CA 0.941 53.984 53.050 -0.010 0.000 0.863 354 N CB -0.661 37.819 38.487 -0.012 0.000 0.983 354 N HN 0.337 nan 8.380 nan 0.000 0.429 355 P HA -0.065 nan 4.420 nan 0.000 0.216 355 P C 0.746 178.044 177.300 -0.004 0.000 1.153 355 P CA 1.143 64.239 63.100 -0.006 0.000 0.848 355 P CB -0.026 31.670 31.700 -0.006 0.000 0.787 356 D N -0.930 119.470 120.400 0.000 0.000 2.144 356 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 356 D C 1.966 178.272 176.300 0.010 0.000 0.978 356 D CA 1.023 55.028 54.000 0.007 0.000 0.833 356 D CB -0.566 40.241 40.800 0.012 0.000 0.961 356 D HN 0.001 nan 8.370 nan 0.000 0.470 357 V N 0.844 120.760 119.914 0.003 0.000 2.515 357 V HA -0.214 3.905 4.120 -0.000 0.000 0.250 357 V C 2.448 178.541 176.094 -0.003 0.000 1.058 357 V CA 1.324 63.624 62.300 0.001 0.000 1.064 357 V CB -0.338 31.479 31.823 -0.012 0.000 0.675 357 V HN 0.064 nan 8.190 nan 0.000 0.461 358 Q N 0.319 120.115 119.800 -0.007 0.000 2.123 358 Q HA -0.038 4.302 4.340 -0.000 0.000 0.199 358 Q C 2.190 178.183 176.000 -0.012 0.000 0.966 358 Q CA 1.845 57.641 55.803 -0.012 0.000 0.845 358 Q CB -0.553 28.178 28.738 -0.013 0.000 0.907 358 Q HN 0.600 nan 8.270 nan 0.000 0.439 359 A N 0.120 122.936 122.820 -0.007 0.000 1.873 359 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 359 A C 2.260 179.846 177.584 0.002 0.000 1.186 359 A CA 1.812 53.842 52.037 -0.012 0.000 0.616 359 A CB -1.147 17.845 19.000 -0.013 0.000 0.823 359 A HN 0.449 nan 8.150 nan 0.000 0.442 360 A N -0.150 122.687 122.820 0.029 0.000 1.883 360 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 360 A C 2.120 179.709 177.584 0.009 0.000 1.186 360 A CA 2.008 54.090 52.037 0.075 0.000 0.624 360 A CB -0.493 18.565 19.000 0.096 0.000 0.822 360 A HN 0.542 nan 8.150 nan 0.000 0.444 361 K N -0.481 119.909 120.400 -0.017 0.000 2.097 361 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 361 K C 1.840 178.403 176.600 -0.062 0.000 1.049 361 K CA 1.374 57.631 56.287 -0.050 0.000 0.933 361 K CB -0.204 32.275 32.500 -0.036 0.000 0.717 361 K HN 0.409 nan 8.250 nan 0.000 0.442 362 N N 1.106 119.783 118.700 -0.038 0.000 2.084 362 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 362 N C 1.448 176.941 175.510 -0.028 0.000 1.030 362 N CA 1.332 54.365 53.050 -0.028 0.000 0.849 362 N CB -0.074 38.399 38.487 -0.023 0.000 1.012 362 N HN 0.173 nan 8.380 nan 0.000 0.423 363 K N 0.395 120.779 120.400 -0.028 0.000 2.002 363 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 363 K C 1.971 178.479 176.600 -0.154 0.000 1.048 363 K CA 0.818 57.124 56.287 0.032 0.000 0.930 363 K CB -0.398 32.224 32.500 0.202 0.000 0.714 363 K HN 0.033 nan 8.250 nan 0.000 0.438 364 L N 2.001 122.933 121.223 -0.484 0.000 2.012 364 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 364 L C 1.833 178.607 176.870 -0.161 0.000 1.073 364 L CA 1.896 56.374 54.840 -0.604 0.000 0.748 364 L CB -0.258 41.503 42.059 -0.497 0.000 0.891 364 L HN 0.016 nan 8.230 nan 0.000 0.431 365 K N -0.627 119.722 120.400 -0.086 0.000 2.026 365 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 365 K C 2.117 178.759 176.600 0.071 0.000 1.048 365 K CA 1.433 57.726 56.287 0.009 0.000 0.929 365 K CB -0.468 32.028 32.500 -0.007 0.000 0.713 365 K HN 0.488 nan 8.250 nan 0.000 0.439 366 A N 1.031 123.878 122.820 0.045 0.000 1.898 366 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 366 A C 2.427 180.057 177.584 0.076 0.000 1.181 366 A CA 1.870 53.946 52.037 0.065 0.000 0.620 366 A CB -1.287 17.753 19.000 0.067 0.000 0.819 366 A HN 0.426 nan 8.150 nan 0.000 0.442 367 G N -1.540 107.307 108.800 0.080 0.000 2.440 367 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 367 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 367 G C 1.551 176.509 174.900 0.097 0.000 1.154 367 G CA 1.362 46.516 45.100 0.090 0.000 0.767 367 G HN 0.573 nan 8.290 nan 0.000 0.552 368 Y N 1.202 121.508 120.300 0.011 0.000 2.114 368 Y HA -0.064 4.486 4.550 -0.000 0.000 0.284 368 Y C 2.667 178.593 175.900 0.042 0.000 1.143 368 Y CA 1.511 59.627 58.100 0.025 0.000 1.135 368 Y CB -0.409 38.056 38.460 0.009 0.000 0.980 368 Y HN 0.107 nan 8.280 nan 0.000 0.499 369 L N -0.567 120.680 121.223 0.041 0.000 2.079 369 L HA -0.305 4.035 4.340 -0.000 0.000 0.210 369 L C 2.532 179.362 176.870 -0.068 0.000 1.081 369 L CA 1.842 56.665 54.840 -0.027 0.000 0.752 369 L CB -0.559 41.539 42.059 0.064 0.000 0.896 369 L HN 0.352 nan 8.230 nan 0.000 0.433 370 M N -0.614 118.968 119.600 -0.031 0.000 2.229 370 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 370 M C 2.512 178.783 176.300 -0.049 0.000 1.063 370 M CA 1.784 57.069 55.300 -0.025 0.000 1.114 370 M CB -0.264 32.337 32.600 0.001 0.000 1.387 370 M HN 0.368 nan 8.290 nan 0.000 0.420 371 S N -0.016 115.632 115.700 -0.088 0.000 2.447 371 S HA -0.048 4.422 4.470 -0.000 0.000 0.233 371 S C 1.355 175.899 174.600 -0.093 0.000 1.006 371 S CA 0.934 59.081 58.200 -0.088 0.000 0.957 371 S CB -0.723 62.418 63.200 -0.097 0.000 0.773 371 S HN 0.449 nan 8.310 nan 0.000 0.507 372 V N -0.173 119.661 119.914 -0.134 0.000 3.214 372 V HA 0.402 4.522 4.120 -0.000 0.000 0.330 372 V C 1.539 177.647 176.094 0.024 0.000 1.403 372 V CA 0.204 62.496 62.300 -0.013 0.000 1.143 372 V CB -0.697 31.130 31.823 0.007 0.000 1.098 372 V HN 0.637 nan 8.190 nan 0.000 0.463 373 E N 1.646 121.835 120.200 -0.018 0.000 2.385 373 E HA 0.067 4.417 4.350 -0.000 0.000 0.194 373 E C 1.137 177.723 176.600 -0.024 0.000 1.013 373 E CA 0.702 57.083 56.400 -0.033 0.000 0.866 373 E CB 0.093 29.775 29.700 -0.029 0.000 0.832 373 E HN 0.724 nan 8.360 nan 0.000 0.500 374 S N 0.528 116.234 115.700 0.009 0.000 2.654 374 S HA 0.205 4.675 4.470 -0.000 0.000 0.283 374 S C 1.201 175.836 174.600 0.059 0.000 1.180 374 S CA -0.224 57.988 58.200 0.019 0.000 1.021 374 S CB 1.691 64.905 63.200 0.023 0.000 1.018 374 S HN 0.232 nan 8.310 nan 0.000 0.532 375 S N 0.554 116.286 115.700 0.054 0.000 2.383 375 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 375 S C 1.599 176.286 174.600 0.145 0.000 1.030 375 S CA 1.340 59.602 58.200 0.103 0.000 1.002 375 S CB -0.885 62.355 63.200 0.067 0.000 0.829 375 S HN 0.887 nan 8.310 nan 0.000 0.467 376 E N 1.574 121.832 120.200 0.096 0.000 2.031 376 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 376 E C 2.260 178.921 176.600 0.101 0.000 0.994 376 E CA 1.154 57.608 56.400 0.089 0.000 0.800 376 E CB -0.942 28.791 29.700 0.055 0.000 0.752 376 E HN 0.641 nan 8.360 nan 0.000 0.447 377 G N 0.215 109.068 108.800 0.090 0.000 2.422 377 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 377 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 377 G C 1.344 176.309 174.900 0.108 0.000 1.146 377 G CA 0.674 45.819 45.100 0.075 0.000 0.769 377 G HN 0.353 nan 8.290 nan 0.000 0.547 378 F N 0.824 120.765 119.950 -0.016 0.000 2.084 378 F HA 0.071 4.598 4.527 -0.000 0.000 0.296 378 F C 2.342 178.137 175.800 -0.008 0.000 1.111 378 F CA 1.042 59.031 58.000 -0.019 0.000 1.224 378 F CB -0.484 38.502 39.000 -0.024 0.000 0.991 378 F HN 0.093 nan 8.300 nan 0.000 0.471 379 L N 0.807 122.047 121.223 0.029 0.000 1.990 379 L HA -0.260 4.080 4.340 -0.000 0.000 0.213 379 L C 2.197 179.023 176.870 -0.074 0.000 1.072 379 L CA 2.489 57.298 54.840 -0.052 0.000 0.755 379 L CB -1.044 41.099 42.059 0.141 0.000 0.889 379 L HN 0.267 nan 8.230 nan 0.000 0.432 380 D N -0.979 119.471 120.400 0.083 0.000 2.116 380 D HA -0.279 4.361 4.640 -0.000 0.000 0.193 380 D C 2.070 178.330 176.300 -0.065 0.000 0.998 380 D CA 1.518 55.600 54.000 0.136 0.000 0.836 380 D CB -0.016 40.871 40.800 0.144 0.000 0.951 380 D HN 0.446 nan 8.370 nan 0.000 0.449 381 E N -0.204 119.941 120.200 -0.092 0.000 2.031 381 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 381 E C 2.174 178.676 176.600 -0.163 0.000 0.994 381 E CA 1.286 57.639 56.400 -0.078 0.000 0.800 381 E CB -0.488 29.194 29.700 -0.030 0.000 0.752 381 E HN 0.197 nan 8.360 nan 0.000 0.447 382 V N 0.442 120.143 119.914 -0.356 0.000 2.255 382 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 382 V C 2.347 178.189 176.094 -0.419 0.000 1.051 382 V CA 2.051 64.127 62.300 -0.372 0.000 1.018 382 V CB -1.249 30.189 31.823 -0.641 0.000 0.641 382 V HN 0.529 nan 8.190 nan 0.000 0.445 383 G N -0.672 107.661 108.800 -0.778 0.000 2.440 383 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 383 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 383 G C 1.839 176.301 174.900 -0.729 0.000 1.154 383 G CA 1.300 45.547 45.100 -1.422 0.000 0.767 383 G HN 0.523 nan 8.290 nan 0.000 0.552 384 S N 0.093 115.563 115.700 -0.384 0.000 2.383 384 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 384 S C 2.339 176.917 174.600 -0.036 0.000 1.026 384 S CA 1.181 59.329 58.200 -0.087 0.000 0.981 384 S CB -0.191 63.013 63.200 0.007 0.000 0.818 384 S HN 0.510 nan 8.310 nan 0.000 0.472 385 Q N 0.669 120.449 119.800 -0.034 0.000 2.079 385 Q HA 0.002 4.342 4.340 -0.000 0.000 0.200 385 Q C 2.518 178.562 176.000 0.074 0.000 0.974 385 Q CA 1.213 57.043 55.803 0.045 0.000 0.840 385 Q CB -0.343 28.459 28.738 0.107 0.000 0.898 385 Q HN 0.588 nan 8.270 nan 0.000 0.430 386 A N 0.757 123.595 122.820 0.030 0.000 1.940 386 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 386 A C 1.967 179.586 177.584 0.058 0.000 1.176 386 A CA 1.207 53.282 52.037 0.064 0.000 0.631 386 A CB -0.519 18.407 19.000 -0.123 0.000 0.814 386 A HN 0.293 nan 8.150 nan 0.000 0.446 387 L N -1.656 119.580 121.223 0.023 0.000 2.202 387 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 387 L C 2.949 179.865 176.870 0.077 0.000 1.083 387 L CA 0.833 55.709 54.840 0.059 0.000 0.790 387 L CB -0.418 41.689 42.059 0.080 0.000 0.942 387 L HN 0.419 nan 8.230 nan 0.000 0.452 388 A N -0.313 122.551 122.820 0.073 0.000 2.016 388 A HA 0.195 4.515 4.320 -0.000 0.000 0.217 388 A C 1.864 179.489 177.584 0.068 0.000 1.162 388 A CA 1.427 53.509 52.037 0.076 0.000 0.662 388 A CB -0.156 18.886 19.000 0.070 0.000 0.812 388 A HN 0.362 nan 8.150 nan 0.000 0.450 389 A N -2.330 120.532 122.820 0.070 0.000 2.671 389 A HA 0.478 4.798 4.320 -0.000 0.000 0.265 389 A C 1.354 178.986 177.584 0.080 0.000 1.148 389 A CA 0.865 52.938 52.037 0.059 0.000 0.977 389 A CB -0.650 18.370 19.000 0.033 0.000 1.242 389 A HN 1.741 nan 8.150 nan 0.000 0.591 390 G N 0.967 109.848 108.800 0.135 0.000 2.422 390 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.301 390 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.301 390 G C 0.294 175.345 174.900 0.252 0.000 0.981 390 G CA 1.421 46.659 45.100 0.231 0.000 0.994 390 G HN 2.076 nan 8.290 nan 0.000 0.514 391 S N -1.847 113.971 115.700 0.196 0.000 2.636 391 S HA 0.642 5.112 4.470 -0.000 0.000 0.268 391 S C -1.240 173.402 174.600 0.070 0.000 1.159 391 S CA -0.937 57.142 58.200 -0.203 0.000 0.815 391 S CB 1.924 64.996 63.200 -0.214 0.000 1.130 391 S HN 1.459 nan 8.310 nan 0.000 0.471 392 Y N 1.037 121.205 120.300 -0.221 0.000 2.350 392 Y HA 0.660 5.210 4.550 -0.000 0.000 0.338 392 Y C -0.857 175.019 175.900 -0.040 0.000 0.961 392 Y CA -0.360 57.734 58.100 -0.011 0.000 1.100 392 Y CB 2.055 40.580 38.460 0.108 0.000 1.179 392 Y HN 0.839 nan 8.280 nan 0.000 0.454 393 T N 9.390 123.484 114.554 -0.768 0.000 2.772 393 T HA 0.357 4.707 4.350 -0.000 0.000 0.288 393 T C -2.748 171.423 174.700 -0.881 0.000 0.994 393 T CA -1.374 60.347 62.100 -0.632 0.000 0.951 393 T CB 1.135 69.821 68.868 -0.303 0.000 0.933 393 T HN 0.443 nan 8.240 nan 0.000 0.447 394 P HA 0.218 nan 4.420 nan 0.000 0.272 394 P C -2.228 175.038 177.300 -0.056 0.000 1.230 394 P CA -1.482 61.453 63.100 -0.277 0.000 0.788 394 P CB 0.679 32.352 31.700 -0.046 0.000 0.949 395 P HA -0.249 nan 4.420 nan 0.000 0.215 395 P C 2.034 179.372 177.300 0.063 0.000 1.163 395 P CA 2.504 65.716 63.100 0.186 0.000 0.894 395 P CB -0.446 31.387 31.700 0.222 0.000 0.791 396 S N -1.622 114.103 115.700 0.041 0.000 2.372 396 S HA -0.250 4.220 4.470 -0.000 0.000 0.227 396 S C 1.945 176.529 174.600 -0.027 0.000 1.044 396 S CA 2.484 60.690 58.200 0.010 0.000 1.050 396 S CB -2.055 61.151 63.200 0.009 0.000 0.901 396 S HN 0.140 nan 8.310 nan 0.000 0.447 397 T N 1.889 116.411 114.554 -0.053 0.000 2.777 397 T HA 0.042 4.392 4.350 -0.000 0.000 0.266 397 T C 1.947 176.582 174.700 -0.108 0.000 1.040 397 T CA 1.256 63.307 62.100 -0.082 0.000 1.141 397 T CB -0.571 68.232 68.868 -0.107 0.000 0.868 397 T HN 0.310 nan 8.240 nan 0.000 0.444 398 V N 1.910 121.739 119.914 -0.142 0.000 2.287 398 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 398 V C 2.507 178.488 176.094 -0.187 0.000 1.053 398 V CA 1.544 63.703 62.300 -0.234 0.000 1.027 398 V CB -0.787 30.763 31.823 -0.454 0.000 0.646 398 V HN 0.450 nan 8.190 nan 0.000 0.447 399 L N -0.634 120.519 121.223 -0.116 0.000 2.042 399 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 399 L C 2.693 179.522 176.870 -0.068 0.000 1.076 399 L CA 1.700 56.495 54.840 -0.074 0.000 0.749 399 L CB -0.732 41.313 42.059 -0.023 0.000 0.893 399 L HN 0.385 nan 8.230 nan 0.000 0.432 400 Q N -0.216 119.546 119.800 -0.063 0.000 2.061 400 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 400 Q C 2.310 178.272 176.000 -0.063 0.000 0.984 400 Q CA 1.725 57.495 55.803 -0.055 0.000 0.846 400 Q CB -0.159 28.549 28.738 -0.051 0.000 0.902 400 Q HN 0.586 nan 8.270 nan 0.000 0.421 401 Q N 0.134 119.886 119.800 -0.080 0.000 2.124 401 Q HA -0.149 4.190 4.340 -0.000 0.000 0.202 401 Q C 2.101 178.054 176.000 -0.078 0.000 0.977 401 Q CA 1.063 56.818 55.803 -0.080 0.000 0.850 401 Q CB -0.130 28.550 28.738 -0.097 0.000 0.901 401 Q HN 0.445 nan 8.270 nan 0.000 0.429 402 I N 1.086 121.601 120.570 -0.092 0.000 2.252 402 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 402 I C 1.677 177.756 176.117 -0.062 0.000 1.102 402 I CA 0.991 62.242 61.300 -0.083 0.000 1.385 402 I CB -0.262 37.679 38.000 -0.098 0.000 1.064 402 I HN 0.136 nan 8.210 nan 0.000 0.414 403 D N 1.181 121.548 120.400 -0.056 0.000 2.144 403 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 403 D C 2.191 178.465 176.300 -0.042 0.000 0.984 403 D CA 1.466 55.440 54.000 -0.044 0.000 0.834 403 D CB -0.080 40.698 40.800 -0.037 0.000 0.955 403 D HN 0.340 nan 8.370 nan 0.000 0.465 404 A N 0.627 123.420 122.820 -0.045 0.000 2.178 404 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 404 A C 1.215 178.773 177.584 -0.044 0.000 1.157 404 A CA 0.272 52.283 52.037 -0.042 0.000 0.689 404 A CB -0.141 18.833 19.000 -0.043 0.000 0.787 404 A HN 0.059 nan 8.150 nan 0.000 0.465 405 V N 0.579 120.464 119.914 -0.049 0.000 2.572 405 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 405 V C 0.745 176.808 176.094 -0.051 0.000 1.039 405 V CA -0.010 62.257 62.300 -0.054 0.000 1.055 405 V CB 0.600 32.387 31.823 -0.060 0.000 0.969 405 V HN 0.501 nan 8.190 nan 0.000 0.482 406 A N 3.236 126.024 122.820 -0.054 0.000 2.306 406 A HA 0.503 4.823 4.320 -0.000 0.000 0.330 406 A C 0.822 178.373 177.584 -0.055 0.000 1.146 406 A CA -0.576 51.432 52.037 -0.048 0.000 0.827 406 A CB 0.514 19.488 19.000 -0.043 0.000 1.178 406 A HN 0.835 nan 8.150 nan 0.000 0.490 407 D N 1.437 121.810 120.400 -0.045 0.000 2.190 407 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 407 D C 2.029 178.297 176.300 -0.054 0.000 0.992 407 D CA 2.147 56.120 54.000 -0.045 0.000 0.854 407 D CB -0.167 40.614 40.800 -0.032 0.000 0.936 407 D HN 0.637 nan 8.370 nan 0.000 0.462 408 A N 0.879 123.669 122.820 -0.051 0.000 1.902 408 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 408 A C 1.757 179.295 177.584 -0.077 0.000 1.181 408 A CA 1.640 53.645 52.037 -0.054 0.000 0.623 408 A CB -0.359 18.615 19.000 -0.043 0.000 0.818 408 A HN 0.049 nan 8.150 nan 0.000 0.443 409 D N -0.189 120.157 120.400 -0.089 0.000 2.144 409 D HA -0.096 4.544 4.640 -0.000 0.000 0.199 409 D C 2.082 178.268 176.300 -0.190 0.000 0.984 409 D CA 1.405 55.329 54.000 -0.127 0.000 0.834 409 D CB -0.417 40.314 40.800 -0.116 0.000 0.955 409 D HN 0.251 nan 8.370 nan 0.000 0.465 410 V N 1.341 121.160 119.914 -0.159 0.000 2.270 410 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 410 V C 2.572 178.560 176.094 -0.176 0.000 1.043 410 V CA 1.091 63.279 62.300 -0.186 0.000 1.014 410 V CB -0.406 31.351 31.823 -0.110 0.000 0.645 410 V HN 0.157 nan 8.190 nan 0.000 0.447 411 I N 0.521 121.024 120.570 -0.111 0.000 2.264 411 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 411 I C 2.238 178.302 176.117 -0.088 0.000 1.111 411 I CA 1.993 63.247 61.300 -0.076 0.000 1.382 411 I CB -0.607 37.364 38.000 -0.049 0.000 1.060 411 I HN 0.428 nan 8.210 nan 0.000 0.418 412 N N 0.469 119.098 118.700 -0.118 0.000 2.216 412 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 412 N C 2.017 177.422 175.510 -0.176 0.000 1.017 412 N CA 0.951 53.933 53.050 -0.112 0.000 0.861 412 N CB -0.099 38.326 38.487 -0.104 0.000 0.986 412 N HN 0.316 nan 8.380 nan 0.000 0.428 413 A N 1.327 123.920 122.820 -0.377 0.000 1.902 413 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 413 A C 2.312 179.693 177.584 -0.339 0.000 1.181 413 A CA 1.685 53.255 52.037 -0.780 0.000 0.623 413 A CB -0.768 17.337 19.000 -1.492 0.000 0.818 413 A HN 0.346 nan 8.150 nan 0.000 0.443 414 A N -0.279 122.426 122.820 -0.190 0.000 1.933 414 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 414 A C 2.092 179.784 177.584 0.180 0.000 1.175 414 A CA 1.923 53.993 52.037 0.055 0.000 0.628 414 A CB -0.394 18.628 19.000 0.037 0.000 0.814 414 A HN 0.549 nan 8.150 nan 0.000 0.444 415 K N -0.300 120.147 120.400 0.079 0.000 2.026 415 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 415 K C 2.181 178.858 176.600 0.127 0.000 1.048 415 K CA 1.614 57.953 56.287 0.087 0.000 0.929 415 K CB -0.146 32.373 32.500 0.031 0.000 0.713 415 K HN 0.493 nan 8.250 nan 0.000 0.439 416 K N 0.364 120.849 120.400 0.142 0.000 2.063 416 K HA -0.207 4.112 4.320 -0.000 0.000 0.208 416 K C 2.014 178.760 176.600 0.245 0.000 1.048 416 K CA 1.500 57.898 56.287 0.185 0.000 0.928 416 K CB -0.186 32.474 32.500 0.266 0.000 0.713 416 K HN 0.073 nan 8.250 nan 0.000 0.442 417 F N 1.099 121.194 119.950 0.241 0.000 2.051 417 F HA -0.203 4.324 4.527 -0.000 0.000 0.296 417 F C 1.815 177.773 175.800 0.262 0.000 1.122 417 F CA 1.434 59.613 58.000 0.298 0.000 1.201 417 F CB -0.608 38.665 39.000 0.456 0.000 0.978 417 F HN -0.202 nan 8.300 nan 0.000 0.472 418 V N 0.554 120.562 119.914 0.157 0.000 2.282 418 V HA -0.334 3.786 4.120 -0.000 0.000 0.249 418 V C 2.579 178.658 176.094 -0.026 0.000 1.057 418 V CA 2.358 64.679 62.300 0.035 0.000 1.032 418 V CB -1.307 30.576 31.823 0.100 0.000 0.645 418 V HN 0.626 nan 8.190 nan 0.000 0.447 419 S N -0.208 115.496 115.700 0.006 0.000 2.528 419 S HA 0.191 4.661 4.470 -0.000 0.000 0.219 419 S C 1.150 175.737 174.600 -0.022 0.000 0.985 419 S CA 0.343 58.543 58.200 -0.001 0.000 0.914 419 S CB -0.227 62.983 63.200 0.017 0.000 0.776 419 S HN 0.571 nan 8.310 nan 0.000 0.526 420 G N 1.288 110.059 108.800 -0.049 0.000 2.527 420 G HA2 0.379 4.339 3.960 -0.000 0.000 0.248 420 G HA3 0.379 4.339 3.960 -0.000 0.000 0.248 420 G C -0.446 174.409 174.900 -0.075 0.000 1.231 420 G CA -0.910 44.153 45.100 -0.062 0.000 0.838 420 G HN 0.480 nan 8.290 nan 0.000 0.570 421 R N 0.924 121.410 120.500 -0.023 0.000 2.489 421 R HA 0.128 4.468 4.340 -0.000 0.000 0.287 421 R C 0.097 176.428 176.300 0.051 0.000 1.053 421 R CA -0.211 55.904 56.100 0.025 0.000 1.036 421 R CB 0.360 30.718 30.300 0.096 0.000 0.966 421 R HN 0.280 nan 8.270 nan 0.000 0.432 422 K N 1.780 122.162 120.400 -0.031 0.000 2.098 422 K HA 0.316 4.636 4.320 -0.000 0.000 0.244 422 K C -0.510 176.057 176.600 -0.055 0.000 1.014 422 K CA -0.520 55.733 56.287 -0.057 0.000 0.917 422 K CB 1.745 34.140 32.500 -0.174 0.000 1.072 422 K HN 0.508 nan 8.250 nan 0.000 0.477 423 S N 0.625 116.281 115.700 -0.072 0.000 2.547 423 S HA 0.620 5.090 4.470 -0.000 0.000 0.281 423 S C -0.850 173.649 174.600 -0.168 0.000 1.118 423 S CA -0.747 57.366 58.200 -0.146 0.000 0.947 423 S CB 1.634 64.740 63.200 -0.155 0.000 1.053 423 S HN 0.589 nan 8.310 nan 0.000 0.482 424 M N 2.515 122.011 119.600 -0.174 0.000 2.520 424 M HA 0.784 5.264 4.480 -0.000 0.000 0.283 424 M C -2.160 174.041 176.300 -0.166 0.000 1.237 424 M CA -0.490 54.693 55.300 -0.195 0.000 0.885 424 M CB 1.956 34.441 32.600 -0.192 0.000 1.727 424 M HN 0.790 nan 8.290 nan 0.000 0.468 425 A N 2.385 125.091 122.820 -0.189 0.000 2.517 425 A HA 0.968 5.288 4.320 -0.000 0.000 0.297 425 A C -1.821 175.658 177.584 -0.176 0.000 1.050 425 A CA -0.218 51.732 52.037 -0.145 0.000 0.694 425 A CB 1.613 20.550 19.000 -0.105 0.000 1.277 425 A HN 1.205 nan 8.150 nan 0.000 0.400 426 A N 0.950 123.685 122.820 -0.141 0.000 2.572 426 A HA 0.954 5.274 4.320 -0.000 0.000 0.295 426 A C -0.401 177.124 177.584 -0.098 0.000 1.072 426 A CA 0.092 52.044 52.037 -0.141 0.000 0.691 426 A CB 1.477 20.377 19.000 -0.166 0.000 1.291 426 A HN 2.354 nan 8.150 nan 0.000 0.404 427 S N 0.179 115.834 115.700 -0.075 0.000 2.548 427 S HA 0.953 5.422 4.470 -0.000 0.000 0.276 427 S C -0.049 174.514 174.600 -0.061 0.000 1.129 427 S CA 0.168 58.318 58.200 -0.084 0.000 0.931 427 S CB 1.304 64.430 63.200 -0.124 0.000 1.068 427 S HN 2.822 nan 8.310 nan 0.000 0.480 428 G N 1.909 110.664 108.800 -0.074 0.000 2.278 428 G HA2 0.071 4.031 3.960 -0.000 0.000 0.265 428 G HA3 0.071 4.031 3.960 -0.000 0.000 0.265 428 G C -1.592 173.273 174.900 -0.059 0.000 1.329 428 G CA -0.813 44.256 45.100 -0.052 0.000 1.017 428 G HN 0.905 nan 8.290 nan 0.000 0.472 429 N N 1.267 119.934 118.700 -0.054 0.000 2.439 429 N HA 0.330 5.070 4.740 -0.000 0.000 0.243 429 N C 1.201 176.665 175.510 -0.076 0.000 1.088 429 N CA -0.346 52.665 53.050 -0.065 0.000 0.940 429 N CB 0.225 38.671 38.487 -0.069 0.000 1.180 429 N HN 0.472 nan 8.380 nan 0.000 0.505 430 L N 2.213 123.388 121.223 -0.079 0.000 2.645 430 L HA 0.212 4.552 4.340 -0.000 0.000 0.234 430 L C 2.095 178.922 176.870 -0.073 0.000 1.165 430 L CA -0.179 54.605 54.840 -0.093 0.000 0.944 430 L CB -0.259 41.721 42.059 -0.132 0.000 1.149 430 L HN 0.498 nan 8.230 nan 0.000 0.446 431 G N -0.496 108.262 108.800 -0.069 0.000 2.475 431 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 431 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 431 G C 1.103 176.085 174.900 0.138 0.000 1.125 431 G CA 0.697 45.780 45.100 -0.029 0.000 0.755 431 G HN 0.606 nan 8.290 nan 0.000 0.565 432 H N -0.813 118.228 119.070 -0.048 0.000 2.512 432 H HA 0.227 4.783 4.556 -0.000 0.000 0.276 432 H C -0.183 175.102 175.328 -0.072 0.000 1.126 432 H CA -0.504 55.517 56.048 -0.045 0.000 1.060 432 H CB 0.727 30.471 29.762 -0.031 0.000 1.646 432 H HN 0.100 nan 8.280 nan 0.000 0.571 433 T N 4.741 119.290 114.554 -0.009 0.000 2.738 433 T HA 0.153 4.503 4.350 -0.000 0.000 0.298 433 T C -2.206 172.378 174.700 -0.193 0.000 0.962 433 T CA -1.399 60.639 62.100 -0.104 0.000 0.972 433 T CB 1.512 70.288 68.868 -0.153 0.000 0.928 433 T HN 0.223 nan 8.240 nan 0.000 0.474 434 P HA 0.205 nan 4.420 nan 0.000 0.269 434 P C -0.586 176.610 177.300 -0.172 0.000 1.209 434 P CA -0.397 62.649 63.100 -0.089 0.000 0.776 434 P CB 0.604 32.297 31.700 -0.012 0.000 0.876 435 F N 0.590 120.519 119.950 -0.035 0.000 2.378 435 F HA 0.210 4.737 4.527 -0.000 0.000 0.319 435 F C 2.354 178.116 175.800 -0.063 0.000 1.155 435 F CA -0.353 57.617 58.000 -0.050 0.000 1.157 435 F CB 0.032 39.008 39.000 -0.039 0.000 1.252 435 F HN 0.218 nan 8.300 nan 0.000 0.550 436 I N 0.637 121.276 120.570 0.116 0.000 2.194 436 I HA -0.301 3.869 4.170 -0.000 0.000 0.246 436 I C 1.636 177.770 176.117 0.029 0.000 1.093 436 I CA 1.628 62.931 61.300 0.005 0.000 1.355 436 I CB -0.468 37.509 38.000 -0.039 0.000 1.046 436 I HN 0.611 nan 8.210 nan 0.000 0.413 437 D N 0.402 120.839 120.400 0.061 0.000 2.348 437 D HA -0.126 4.514 4.640 -0.000 0.000 0.248 437 D C 1.034 177.367 176.300 0.054 0.000 1.142 437 D CA 0.577 54.599 54.000 0.036 0.000 0.904 437 D CB -0.414 40.386 40.800 0.000 0.000 0.901 437 D HN 0.471 nan 8.370 nan 0.000 0.523 438 E N -0.544 119.706 120.200 0.082 0.000 2.601 438 E HA 0.227 4.577 4.350 -0.000 0.000 0.219 438 E C 0.473 177.122 176.600 0.081 0.000 0.964 438 E CA -0.276 56.172 56.400 0.081 0.000 1.050 438 E CB 0.919 30.686 29.700 0.112 0.000 1.068 438 E HN 0.272 nan 8.360 nan 0.000 0.496 439 L N 0.000 121.274 121.223 0.085 0.000 2.949 439 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 439 L CA 0.000 54.925 54.840 0.142 0.000 0.813 439 L CB 0.000 42.073 42.059 0.023 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502