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 1vf7_1_F DATA FIRST_RESID 28 DATA SEQUENCE NTELPGRTNA FRIAEVRPQV NGIILKRLFK EGSDVKAGQQ LYQIDPATYE DATA SEQUENCE ADYQSAQANL ASTQEQAQRY KLLVADQAVS KQQYADANAA YLQSKAAVEQ DATA SEQUENCE ARINLRYTKV LSPISGRIGR SAVTEGALVT NGQANAMATV QQLDPIYVDV DATA SEQUENCE TQPSTALLRL RRELASGQLE RAGDNAAKVS LKLEDGSQYP LEGRLEFSEV DATA SEQUENCE SVDEGTGSVT IRAVFPNPNN ELLPGMFVHA QLQ 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 28 N HA 0.000 nan 4.740 nan 0.000 0.220 28 N C 0.000 175.539 175.510 0.048 0.000 1.280 28 N CA 0.000 53.070 53.050 0.033 0.000 0.885 28 N CB 0.000 38.500 38.487 0.022 0.000 1.341 29 T N 2.072 116.655 114.554 0.049 0.000 1.090 29 T HA -0.157 4.193 4.350 -0.000 0.000 0.709 29 T C -0.789 173.963 174.700 0.087 0.000 0.980 29 T CA 0.909 63.048 62.100 0.066 0.000 3.755 29 T CB -0.964 67.947 68.868 0.071 0.000 2.125 29 T HN 0.378 nan 8.240 nan 0.000 0.375 30 E N 2.232 122.491 120.200 0.099 0.000 2.593 30 E HA 0.305 4.655 4.350 -0.000 0.000 0.232 30 E C 0.176 176.917 176.600 0.235 0.000 1.026 30 E CA -0.577 55.915 56.400 0.154 0.000 0.772 30 E CB 0.691 30.445 29.700 0.090 0.000 1.310 30 E HN 0.572 nan 8.360 nan 0.000 0.413 31 L N 4.012 125.340 121.223 0.176 0.000 2.361 31 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 31 L C -1.955 174.947 176.870 0.053 0.000 1.113 31 L CA -1.863 53.052 54.840 0.125 0.000 0.849 31 L CB -0.470 41.647 42.059 0.097 0.000 1.155 31 L HN 0.139 nan 8.230 nan 0.000 0.452 32 P HA 0.236 nan 4.420 nan 0.000 0.272 32 P C -0.106 177.097 177.300 -0.161 0.000 1.223 32 P CA -0.061 62.836 63.100 -0.337 0.000 0.784 32 P CB 1.280 32.822 31.700 -0.263 0.000 0.923 33 G N 0.900 109.588 108.800 -0.187 0.000 2.695 33 G HA2 0.607 4.567 3.960 -0.000 0.000 0.290 33 G HA3 0.607 4.567 3.960 -0.000 0.000 0.290 33 G C -1.651 173.163 174.900 -0.144 0.000 1.410 33 G CA -0.702 44.331 45.100 -0.111 0.000 0.844 33 G HN 0.460 nan 8.290 nan 0.000 0.478 34 R N 0.085 120.497 120.500 -0.148 0.000 2.561 34 R HA 0.552 4.892 4.340 -0.000 0.000 0.297 34 R C -0.011 176.202 176.300 -0.146 0.000 0.969 34 R CA -0.485 55.476 56.100 -0.232 0.000 0.879 34 R CB 1.734 31.849 30.300 -0.309 0.000 1.178 34 R HN 0.779 nan 8.270 nan 0.000 0.445 35 T N 0.938 115.400 114.554 -0.153 0.000 2.919 35 T HA 0.323 4.673 4.350 -0.000 0.000 0.302 35 T C 0.030 174.705 174.700 -0.042 0.000 1.031 35 T CA -0.627 61.428 62.100 -0.075 0.000 1.127 35 T CB 0.724 69.534 68.868 -0.097 0.000 0.952 35 T HN 0.394 nan 8.240 nan 0.000 0.540 36 N N 0.559 119.287 118.700 0.048 0.000 2.229 36 N HA 0.539 5.279 4.740 -0.000 0.000 0.298 36 N C -0.429 175.165 175.510 0.140 0.000 1.114 36 N CA -0.653 52.445 53.050 0.080 0.000 0.776 36 N CB 2.095 40.641 38.487 0.097 0.000 1.501 36 N HN 0.994 nan 8.380 nan 0.000 0.474 37 A N 0.818 123.699 122.820 0.101 0.000 2.555 37 A HA -0.007 4.312 4.320 -0.000 0.000 0.233 37 A C 0.834 178.533 177.584 0.191 0.000 1.060 37 A CA 0.136 52.238 52.037 0.109 0.000 0.759 37 A CB -0.230 18.810 19.000 0.066 0.000 0.995 37 A HN 0.711 nan 8.150 nan 0.000 0.506 38 F N 1.021 120.916 119.950 -0.092 0.000 2.325 38 F HA 0.138 4.665 4.527 -0.000 0.000 0.299 38 F C 1.219 177.008 175.800 -0.019 0.000 1.090 38 F CA 1.539 59.395 58.000 -0.239 0.000 1.392 38 F CB 0.061 38.855 39.000 -0.343 0.000 1.053 38 F HN 0.639 nan 8.300 nan 0.000 0.521 39 R N 0.206 120.746 120.500 0.065 0.000 2.633 39 R HA 0.440 4.779 4.340 -0.000 0.000 0.255 39 R C -1.936 174.378 176.300 0.024 0.000 1.106 39 R CA -0.455 55.645 56.100 0.000 0.000 0.959 39 R CB 1.263 31.558 30.300 -0.007 0.000 1.259 39 R HN 0.009 nan 8.270 nan 0.000 0.453 40 I N 2.263 122.834 120.570 0.003 0.000 2.689 40 I HA 0.777 4.946 4.170 -0.000 0.000 0.299 40 I C -0.661 175.449 176.117 -0.012 0.000 1.059 40 I CA -0.959 60.340 61.300 -0.001 0.000 1.055 40 I CB 2.253 40.253 38.000 0.000 0.000 1.243 40 I HN 0.744 nan 8.210 nan 0.000 0.425 41 A N 4.161 126.972 122.820 -0.016 0.000 2.574 41 A HA 0.698 5.018 4.320 -0.000 0.000 0.297 41 A C -1.318 176.253 177.584 -0.022 0.000 1.062 41 A CA -0.602 51.423 52.037 -0.020 0.000 0.686 41 A CB 1.804 20.791 19.000 -0.022 0.000 1.285 41 A HN 0.725 nan 8.150 nan 0.000 0.403 42 E N 0.074 120.262 120.200 -0.020 0.000 2.202 42 E HA 0.579 4.929 4.350 -0.000 0.000 0.272 42 E C -1.160 175.430 176.600 -0.016 0.000 0.951 42 E CA -0.801 55.589 56.400 -0.017 0.000 0.813 42 E CB 2.258 31.948 29.700 -0.018 0.000 1.151 42 E HN 0.382 nan 8.360 nan 0.000 0.398 43 V N 3.201 123.113 119.914 -0.003 0.000 2.384 43 V HA 0.495 4.615 4.120 -0.000 0.000 0.287 43 V C -0.207 175.886 176.094 -0.002 0.000 1.020 43 V CA -0.594 61.716 62.300 0.017 0.000 0.850 43 V CB 1.070 32.935 31.823 0.071 0.000 0.987 43 V HN 0.604 nan 8.190 nan 0.000 0.436 44 R N 4.687 125.169 120.500 -0.031 0.000 2.740 44 R HA 0.601 4.941 4.340 -0.000 0.000 0.273 44 R C -2.963 173.275 176.300 -0.104 0.000 0.998 44 R CA -1.707 54.349 56.100 -0.073 0.000 0.900 44 R CB 2.903 33.157 30.300 -0.078 0.000 1.223 44 R HN 0.441 nan 8.270 nan 0.000 0.466 45 P HA 0.177 nan 4.420 nan 0.000 0.290 45 P C -0.986 176.186 177.300 -0.212 0.000 1.276 45 P CA -0.432 62.580 63.100 -0.147 0.000 0.808 45 P CB 1.145 32.769 31.700 -0.128 0.000 0.966 46 Q N 0.646 120.242 119.800 -0.340 0.000 2.186 46 Q HA 0.431 4.771 4.340 -0.000 0.000 0.241 46 Q C -0.303 175.471 176.000 -0.377 0.000 0.849 46 Q CA -0.211 55.275 55.803 -0.528 0.000 1.053 46 Q CB 1.013 29.076 28.738 -1.125 0.000 1.146 46 Q HN 0.218 nan 8.270 nan 0.000 0.475 47 V N 0.250 120.057 119.914 -0.177 0.000 3.167 47 V HA 0.282 4.401 4.120 -0.000 0.000 0.293 47 V C -1.673 174.412 176.094 -0.014 0.000 1.379 47 V CA -1.021 61.229 62.300 -0.083 0.000 1.019 47 V CB 2.565 34.304 31.823 -0.140 0.000 1.115 47 V HN 0.246 nan 8.190 nan 0.000 0.442 48 N N 2.544 121.292 118.700 0.080 0.000 2.530 48 N HA 0.830 5.570 4.740 -0.000 0.000 0.277 48 N C 0.182 175.805 175.510 0.188 0.000 1.168 48 N CA 0.678 53.791 53.050 0.105 0.000 0.979 48 N CB 1.719 40.269 38.487 0.106 0.000 1.141 48 N HN 1.237 nan 8.380 nan 0.000 0.459 49 G N -0.328 108.542 108.800 0.118 0.000 2.336 49 G HA2 0.235 4.195 3.960 -0.000 0.000 0.286 49 G HA3 0.235 4.195 3.960 -0.000 0.000 0.286 49 G C -1.658 173.282 174.900 0.068 0.000 1.269 49 G CA -0.743 44.438 45.100 0.135 0.000 0.873 49 G HN 0.495 nan 8.290 nan 0.000 0.494 50 I N 0.618 121.227 120.570 0.065 0.000 2.493 50 I HA 0.476 4.645 4.170 -0.000 0.000 0.298 50 I C -0.226 175.918 176.117 0.045 0.000 0.998 50 I CA -1.332 59.991 61.300 0.038 0.000 1.137 50 I CB 1.310 39.328 38.000 0.029 0.000 1.310 50 I HN 0.322 nan 8.210 nan 0.000 0.445 51 I N 8.048 128.636 120.570 0.029 0.000 2.576 51 I HA -0.065 4.105 4.170 -0.000 0.000 0.288 51 I C 0.784 176.940 176.117 0.065 0.000 1.126 51 I CA 0.426 61.756 61.300 0.051 0.000 1.362 51 I CB 0.274 38.299 38.000 0.043 0.000 1.419 51 I HN 0.676 nan 8.210 nan 0.000 0.533 52 L N 7.491 128.760 121.223 0.077 0.000 2.102 52 L HA 0.088 4.427 4.340 -0.000 0.000 0.202 52 L C 0.681 177.588 176.870 0.062 0.000 1.076 52 L CA 1.706 56.584 54.840 0.063 0.000 0.761 52 L CB 0.001 42.098 42.059 0.064 0.000 0.921 52 L HN 0.497 nan 8.230 nan 0.000 0.444 53 K N -0.711 119.741 120.400 0.087 0.000 2.501 53 K HA 0.377 4.697 4.320 -0.000 0.000 0.252 53 K C -1.043 175.613 176.600 0.094 0.000 0.934 53 K CA -0.577 55.747 56.287 0.062 0.000 0.797 53 K CB 2.234 34.754 32.500 0.034 0.000 1.270 53 K HN -0.127 nan 8.250 nan 0.000 0.431 54 R N 3.674 124.170 120.500 -0.006 0.000 2.254 54 R HA 0.283 4.622 4.340 -0.000 0.000 0.318 54 R C -0.200 175.928 176.300 -0.287 0.000 1.031 54 R CA -0.187 55.770 56.100 -0.240 0.000 0.905 54 R CB 0.437 30.520 30.300 -0.362 0.000 1.050 54 R HN 0.625 nan 8.270 nan 0.000 0.456 55 L N 5.624 126.689 121.223 -0.263 0.000 2.808 55 L HA 0.289 4.629 4.340 -0.000 0.000 0.246 55 L C -0.392 176.448 176.870 -0.050 0.000 1.153 55 L CA -0.361 54.413 54.840 -0.110 0.000 0.956 55 L CB -0.028 42.024 42.059 -0.012 0.000 1.270 55 L HN 0.481 nan 8.230 nan 0.000 0.528 56 F N -1.855 117.986 119.950 -0.181 0.000 2.556 56 F HA 0.593 5.120 4.527 -0.000 0.000 0.327 56 F C 0.016 175.756 175.800 -0.100 0.000 1.059 56 F CA -1.514 56.408 58.000 -0.131 0.000 0.953 56 F CB 0.891 39.804 39.000 -0.146 0.000 1.227 56 F HN -0.280 nan 8.300 nan 0.000 0.478 57 K N 1.986 122.425 120.400 0.066 0.000 2.276 57 K HA 0.151 4.471 4.320 -0.000 0.000 0.283 57 K C -0.396 176.328 176.600 0.207 0.000 1.044 57 K CA -0.296 56.005 56.287 0.023 0.000 0.944 57 K CB 0.595 33.116 32.500 0.034 0.000 1.012 57 K HN 0.823 nan 8.250 nan 0.000 0.472 58 E N 1.744 122.014 120.200 0.117 0.000 2.413 58 E HA 0.014 4.364 4.350 -0.000 0.000 0.263 58 E C 0.795 177.481 176.600 0.144 0.000 1.015 58 E CA 0.783 57.317 56.400 0.223 0.000 0.916 58 E CB 0.432 30.204 29.700 0.121 0.000 0.947 58 E HN 0.957 nan 8.360 nan 0.000 0.440 59 G N 2.344 111.220 108.800 0.126 0.000 2.234 59 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 59 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 59 G C 0.451 175.383 174.900 0.054 0.000 0.987 59 G CA 0.489 45.630 45.100 0.069 0.000 0.625 59 G HN 0.675 nan 8.290 nan 0.000 0.532 60 S N 0.179 115.923 115.700 0.073 0.000 2.655 60 S HA 0.587 5.057 4.470 -0.000 0.000 0.265 60 S C -0.328 174.279 174.600 0.012 0.000 1.240 60 S CA -0.399 57.829 58.200 0.046 0.000 0.986 60 S CB 1.550 64.791 63.200 0.069 0.000 0.985 60 S HN 0.185 nan 8.310 nan 0.000 0.562 61 D N 1.008 121.410 120.400 0.004 0.000 2.264 61 D HA 0.469 5.109 4.640 -0.000 0.000 0.250 61 D C 0.061 176.348 176.300 -0.021 0.000 1.113 61 D CA -0.192 53.800 54.000 -0.013 0.000 0.871 61 D CB 1.517 42.312 40.800 -0.009 0.000 1.167 61 D HN 0.582 nan 8.370 nan 0.000 0.447 62 V N -0.977 118.911 119.914 -0.044 0.000 3.001 62 V HA 0.598 4.718 4.120 -0.000 0.000 0.314 62 V C -0.406 175.665 176.094 -0.039 0.000 1.099 62 V CA -1.034 61.235 62.300 -0.051 0.000 0.989 62 V CB 2.364 34.122 31.823 -0.109 0.000 1.040 62 V HN 0.253 nan 8.190 nan 0.000 0.434 63 K N 1.863 122.246 120.400 -0.029 0.000 2.118 63 K HA 0.773 5.093 4.320 -0.000 0.000 0.254 63 K C 0.082 176.670 176.600 -0.020 0.000 0.961 63 K CA -0.253 56.023 56.287 -0.020 0.000 0.876 63 K CB 1.909 34.403 32.500 -0.011 0.000 1.077 63 K HN 1.142 nan 8.250 nan 0.000 0.440 64 A N 1.112 123.924 122.820 -0.013 0.000 2.561 64 A HA 0.295 4.615 4.320 -0.000 0.000 0.251 64 A C 1.180 178.762 177.584 -0.004 0.000 1.062 64 A CA 1.183 53.215 52.037 -0.008 0.000 0.761 64 A CB -1.162 17.837 19.000 -0.001 0.000 0.986 64 A HN 0.965 nan 8.150 nan 0.000 0.510 65 G N 1.107 109.906 108.800 -0.001 0.000 2.176 65 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.232 65 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.232 65 G C 0.340 175.245 174.900 0.007 0.000 0.986 65 G CA 0.410 45.513 45.100 0.006 0.000 0.643 65 G HN 1.137 nan 8.290 nan 0.000 0.522 66 Q N 0.595 120.395 119.800 -0.000 0.000 2.314 66 Q HA 0.423 4.763 4.340 -0.000 0.000 0.258 66 Q C 0.421 176.429 176.000 0.014 0.000 0.954 66 Q CA -0.320 55.485 55.803 0.003 0.000 0.890 66 Q CB 0.419 29.151 28.738 -0.010 0.000 1.210 66 Q HN 0.447 nan 8.270 nan 0.000 0.410 67 Q N 4.203 124.021 119.800 0.029 0.000 2.286 67 Q HA 0.047 4.387 4.340 -0.000 0.000 0.265 67 Q C 0.152 176.188 176.000 0.061 0.000 1.080 67 Q CA -0.057 55.778 55.803 0.052 0.000 0.906 67 Q CB 0.482 29.253 28.738 0.054 0.000 1.227 67 Q HN 0.820 nan 8.270 nan 0.000 0.409 68 L N 4.027 125.296 121.223 0.076 0.000 2.249 68 L HA 0.097 4.437 4.340 -0.000 0.000 0.207 68 L C -0.125 176.715 176.870 -0.049 0.000 1.090 68 L CA 0.498 55.381 54.840 0.072 0.000 0.802 68 L CB 0.112 42.147 42.059 -0.040 0.000 0.947 68 L HN 0.587 nan 8.230 nan 0.000 0.453 69 Y N -1.371 119.030 120.300 0.168 0.000 2.588 69 Y HA 0.489 5.039 4.550 -0.000 0.000 0.343 69 Y C -0.444 175.502 175.900 0.076 0.000 1.065 69 Y CA -1.123 57.049 58.100 0.119 0.000 1.038 69 Y CB 1.639 40.168 38.460 0.115 0.000 1.297 69 Y HN -0.226 nan 8.280 nan 0.000 0.467 70 Q N 2.142 122.083 119.800 0.236 0.000 2.357 70 Q HA 0.516 4.856 4.340 -0.000 0.000 0.266 70 Q C -1.499 174.584 176.000 0.138 0.000 1.021 70 Q CA -0.200 55.692 55.803 0.149 0.000 0.784 70 Q CB 0.807 29.606 28.738 0.101 0.000 1.243 70 Q HN 0.638 nan 8.270 nan 0.000 0.465 71 I N 2.905 123.547 120.570 0.119 0.000 2.556 71 I HA 0.039 4.209 4.170 -0.000 0.000 0.284 71 I C 0.452 176.643 176.117 0.123 0.000 1.114 71 I CA -0.252 61.112 61.300 0.106 0.000 1.418 71 I CB 0.624 38.679 38.000 0.092 0.000 1.394 71 I HN 0.635 nan 8.210 nan 0.000 0.552 72 D N 9.566 130.035 120.400 0.115 0.000 2.502 72 D HA -0.033 4.607 4.640 -0.000 0.000 0.249 72 D C -1.520 174.876 176.300 0.162 0.000 1.188 72 D CA -0.967 53.098 54.000 0.107 0.000 0.890 72 D CB 0.950 41.795 40.800 0.074 0.000 1.140 72 D HN 0.306 nan 8.370 nan 0.000 0.505 73 P HA 0.147 nan 4.420 nan 0.000 0.268 73 P C 0.818 178.210 177.300 0.152 0.000 1.329 73 P CA -0.070 63.157 63.100 0.211 0.000 0.899 73 P CB 0.481 32.265 31.700 0.140 0.000 1.378 74 A N 0.978 123.848 122.820 0.084 0.000 1.873 74 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 74 A C 2.258 179.859 177.584 0.029 0.000 1.193 74 A CA 2.624 54.691 52.037 0.049 0.000 0.629 74 A CB -1.906 17.108 19.000 0.025 0.000 0.826 74 A HN 0.194 nan 8.150 nan 0.000 0.447 75 T N -1.421 113.110 114.554 -0.038 0.000 2.777 75 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 75 T C 1.728 176.385 174.700 -0.072 0.000 1.040 75 T CA 1.680 63.716 62.100 -0.106 0.000 1.141 75 T CB -0.470 68.255 68.868 -0.239 0.000 0.868 75 T HN 0.567 nan 8.240 nan 0.000 0.444 76 Y N 1.078 121.404 120.300 0.043 0.000 2.274 76 Y HA -0.120 4.429 4.550 -0.000 0.000 0.290 76 Y C 2.690 178.638 175.900 0.079 0.000 1.145 76 Y CA 0.982 59.112 58.100 0.050 0.000 1.203 76 Y CB -0.040 38.439 38.460 0.031 0.000 0.984 76 Y HN 0.177 nan 8.280 nan 0.000 0.533 77 E N 0.512 120.846 120.200 0.224 0.000 2.046 77 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 77 E C 2.222 178.924 176.600 0.170 0.000 0.982 77 E CA 1.244 57.763 56.400 0.198 0.000 0.800 77 E CB -0.410 29.374 29.700 0.141 0.000 0.756 77 E HN 0.276 nan 8.360 nan 0.000 0.449 78 A N 1.093 123.974 122.820 0.102 0.000 1.865 78 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 78 A C 1.948 179.574 177.584 0.070 0.000 1.191 78 A CA 2.045 54.119 52.037 0.061 0.000 0.623 78 A CB -0.970 18.045 19.000 0.025 0.000 0.826 78 A HN 0.312 nan 8.150 nan 0.000 0.444 79 D N -1.571 118.881 120.400 0.087 0.000 2.133 79 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 79 D C 1.682 178.072 176.300 0.150 0.000 0.997 79 D CA 1.749 55.809 54.000 0.099 0.000 0.840 79 D CB -0.556 40.313 40.800 0.116 0.000 0.947 79 D HN 0.598 nan 8.370 nan 0.000 0.452 80 Y N 1.244 121.578 120.300 0.057 0.000 2.224 80 Y HA -0.207 4.343 4.550 -0.000 0.000 0.289 80 Y C 2.276 178.191 175.900 0.026 0.000 1.146 80 Y CA 1.486 59.611 58.100 0.043 0.000 1.182 80 Y CB -0.262 38.225 38.460 0.046 0.000 0.983 80 Y HN -0.127 nan 8.280 nan 0.000 0.524 81 Q N -0.283 119.462 119.800 -0.091 0.000 2.096 81 Q HA -0.074 4.265 4.340 -0.000 0.000 0.197 81 Q C 2.472 178.401 176.000 -0.119 0.000 0.964 81 Q CA 1.745 57.442 55.803 -0.177 0.000 0.838 81 Q CB -0.307 28.394 28.738 -0.062 0.000 0.906 81 Q HN 0.440 nan 8.270 nan 0.000 0.444 82 S N 0.520 116.189 115.700 -0.052 0.000 2.368 82 S HA -0.291 4.179 4.470 -0.000 0.000 0.226 82 S C 1.964 176.534 174.600 -0.050 0.000 1.044 82 S CA 1.336 59.514 58.200 -0.037 0.000 1.062 82 S CB -0.755 62.440 63.200 -0.009 0.000 0.931 82 S HN 0.574 nan 8.310 nan 0.000 0.440 83 A N 1.042 123.834 122.820 -0.047 0.000 1.908 83 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 83 A C 2.147 179.680 177.584 -0.086 0.000 1.181 83 A CA 1.737 53.750 52.037 -0.040 0.000 0.627 83 A CB -0.726 18.284 19.000 0.016 0.000 0.818 83 A HN 0.547 nan 8.150 nan 0.000 0.445 84 Q N -0.981 118.706 119.800 -0.189 0.000 2.119 84 Q HA -0.069 4.271 4.340 -0.000 0.000 0.201 84 Q C 2.414 178.351 176.000 -0.105 0.000 0.972 84 Q CA 1.162 56.850 55.803 -0.191 0.000 0.847 84 Q CB -0.332 28.200 28.738 -0.344 0.000 0.903 84 Q HN 0.708 nan 8.270 nan 0.000 0.433 85 A N 1.420 124.184 122.820 -0.093 0.000 1.845 85 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 85 A C 1.887 179.451 177.584 -0.033 0.000 1.195 85 A CA 1.620 53.624 52.037 -0.055 0.000 0.616 85 A CB -0.977 17.994 19.000 -0.048 0.000 0.832 85 A HN 0.425 nan 8.150 nan 0.000 0.443 86 N N -0.166 118.517 118.700 -0.029 0.000 2.094 86 N HA -0.199 4.541 4.740 -0.000 0.000 0.191 86 N C 1.757 177.269 175.510 0.004 0.000 1.023 86 N CA 1.917 54.959 53.050 -0.013 0.000 0.857 86 N CB -0.262 38.218 38.487 -0.013 0.000 1.013 86 N HN 0.397 nan 8.380 nan 0.000 0.426 87 L N 1.148 122.373 121.223 0.004 0.000 2.093 87 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 87 L C 2.340 179.248 176.870 0.063 0.000 1.085 87 L CA 1.704 56.572 54.840 0.046 0.000 0.755 87 L CB -0.754 41.324 42.059 0.031 0.000 0.904 87 L HN 0.140 nan 8.230 nan 0.000 0.435 88 A N -0.758 122.073 122.820 0.018 0.000 1.865 88 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 88 A C 2.353 179.938 177.584 0.002 0.000 1.191 88 A CA 2.322 54.363 52.037 0.007 0.000 0.623 88 A CB -1.183 17.809 19.000 -0.012 0.000 0.826 88 A HN 0.568 nan 8.150 nan 0.000 0.444 89 S N -0.103 115.595 115.700 -0.004 0.000 2.353 89 S HA -0.201 4.268 4.470 -0.000 0.000 0.222 89 S C 2.207 176.794 174.600 -0.021 0.000 1.035 89 S CA 2.196 60.386 58.200 -0.016 0.000 1.025 89 S CB -1.104 62.086 63.200 -0.016 0.000 0.902 89 S HN 0.909 nan 8.310 nan 0.000 0.440 90 T N 0.288 114.849 114.554 0.013 0.000 2.915 90 T HA -0.103 4.247 4.350 -0.000 0.000 0.269 90 T C 1.819 176.538 174.700 0.033 0.000 1.071 90 T CA 1.313 63.431 62.100 0.029 0.000 1.132 90 T CB -0.351 68.569 68.868 0.087 0.000 0.878 90 T HN 0.484 nan 8.240 nan 0.000 0.479 91 Q N 1.396 121.228 119.800 0.053 0.000 2.049 91 Q HA -0.174 4.166 4.340 -0.000 0.000 0.198 91 Q C 2.375 178.262 176.000 -0.189 0.000 0.971 91 Q CA 1.899 57.617 55.803 -0.143 0.000 0.833 91 Q CB -0.134 28.589 28.738 -0.025 0.000 0.896 91 Q HN 0.734 nan 8.270 nan 0.000 0.434 92 E N 0.569 120.711 120.200 -0.098 0.000 2.077 92 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 92 E C 1.878 178.418 176.600 -0.100 0.000 0.989 92 E CA 1.799 58.147 56.400 -0.087 0.000 0.800 92 E CB -0.599 29.071 29.700 -0.050 0.000 0.746 92 E HN 0.501 nan 8.360 nan 0.000 0.452 93 Q N 0.314 120.036 119.800 -0.130 0.000 2.096 93 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 93 Q C 2.153 177.996 176.000 -0.261 0.000 0.982 93 Q CA 2.443 58.104 55.803 -0.237 0.000 0.850 93 Q CB -0.512 28.044 28.738 -0.304 0.000 0.901 93 Q HN 0.451 nan 8.270 nan 0.000 0.422 94 A N -0.035 122.681 122.820 -0.173 0.000 1.969 94 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 94 A C 1.904 179.502 177.584 0.024 0.000 1.169 94 A CA 1.505 53.510 52.037 -0.052 0.000 0.635 94 A CB -0.411 18.510 19.000 -0.133 0.000 0.810 94 A HN 0.535 nan 8.150 nan 0.000 0.445 95 Q N -1.146 118.604 119.800 -0.084 0.000 2.172 95 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 95 Q C 2.331 178.322 176.000 -0.016 0.000 0.964 95 Q CA 1.138 56.903 55.803 -0.064 0.000 0.855 95 Q CB -0.076 28.605 28.738 -0.095 0.000 0.918 95 Q HN 0.655 nan 8.270 nan 0.000 0.444 96 R N -0.319 120.193 120.500 0.019 0.000 2.057 96 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 96 R C 1.717 178.131 176.300 0.191 0.000 1.136 96 R CA 1.141 57.292 56.100 0.086 0.000 0.952 96 R CB -0.004 30.359 30.300 0.106 0.000 0.848 96 R HN 0.222 nan 8.270 nan 0.000 0.430 97 Y N 1.114 121.408 120.300 -0.010 0.000 2.403 97 Y HA -0.147 4.403 4.550 -0.000 0.000 0.291 97 Y C 2.131 177.894 175.900 -0.228 0.000 1.143 97 Y CA 0.863 58.960 58.100 -0.006 0.000 1.257 97 Y CB -0.367 38.192 38.460 0.166 0.000 0.984 97 Y HN 0.088 nan 8.280 nan 0.000 0.550 98 K N 0.086 120.371 120.400 -0.191 0.000 2.097 98 K HA -0.131 4.189 4.320 -0.000 0.000 0.205 98 K C 1.812 178.212 176.600 -0.332 0.000 1.050 98 K CA 0.997 56.915 56.287 -0.615 0.000 0.938 98 K CB -0.179 32.093 32.500 -0.380 0.000 0.718 98 K HN 0.281 nan 8.250 nan 0.000 0.442 99 L N 0.704 121.832 121.223 -0.159 0.000 2.049 99 L HA -0.131 4.209 4.340 -0.000 0.000 0.203 99 L C 2.308 179.112 176.870 -0.110 0.000 1.074 99 L CA 0.747 55.521 54.840 -0.109 0.000 0.749 99 L CB -0.481 41.542 42.059 -0.060 0.000 0.907 99 L HN 0.148 nan 8.230 nan 0.000 0.439 100 L N 0.137 121.301 121.223 -0.098 0.000 2.051 100 L HA -0.235 4.105 4.340 -0.000 0.000 0.214 100 L C 2.700 179.486 176.870 -0.141 0.000 1.076 100 L CA 1.665 56.431 54.840 -0.123 0.000 0.758 100 L CB -1.059 40.895 42.059 -0.174 0.000 0.890 100 L HN 0.315 nan 8.230 nan 0.000 0.433 101 V N -2.709 117.104 119.914 -0.168 0.000 2.515 101 V HA -0.118 4.002 4.120 -0.000 0.000 0.250 101 V C 2.648 178.679 176.094 -0.105 0.000 1.058 101 V CA 1.399 63.621 62.300 -0.129 0.000 1.064 101 V CB -1.138 30.614 31.823 -0.119 0.000 0.675 101 V HN 0.311 nan 8.190 nan 0.000 0.461 102 A N 0.797 123.543 122.820 -0.124 0.000 1.933 102 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 102 A C 1.799 179.344 177.584 -0.065 0.000 1.175 102 A CA 1.977 53.961 52.037 -0.089 0.000 0.628 102 A CB -0.787 18.157 19.000 -0.093 0.000 0.814 102 A HN 0.589 nan 8.150 nan 0.000 0.444 103 D N -0.413 119.945 120.400 -0.070 0.000 2.352 103 D HA 0.087 4.727 4.640 -0.000 0.000 0.232 103 D C 0.156 176.424 176.300 -0.054 0.000 1.055 103 D CA 0.415 54.382 54.000 -0.056 0.000 0.891 103 D CB -0.297 40.469 40.800 -0.057 0.000 0.897 103 D HN 0.591 nan 8.370 nan 0.000 0.529 104 Q N -0.924 118.841 119.800 -0.057 0.000 2.437 104 Q HA -0.266 4.074 4.340 -0.000 0.000 0.274 104 Q C 0.840 176.803 176.000 -0.063 0.000 1.165 104 Q CA 0.621 56.392 55.803 -0.052 0.000 0.925 104 Q CB -1.559 27.158 28.738 -0.036 0.000 1.327 104 Q HN 0.359 nan 8.270 nan 0.000 0.505 105 A N -0.864 121.906 122.820 -0.084 0.000 2.238 105 A HA 0.396 4.716 4.320 -0.000 0.000 0.210 105 A C 0.517 178.020 177.584 -0.134 0.000 1.179 105 A CA 0.504 52.484 52.037 -0.094 0.000 0.827 105 A CB 0.959 19.903 19.000 -0.093 0.000 0.856 105 A HN 0.175 nan 8.150 nan 0.000 0.488 106 V N -0.106 119.720 119.914 -0.148 0.000 3.087 106 V HA 0.409 4.529 4.120 -0.000 0.000 0.306 106 V C 0.086 176.127 176.094 -0.089 0.000 1.187 106 V CA -0.305 61.885 62.300 -0.184 0.000 0.999 106 V CB 2.409 33.996 31.823 -0.394 0.000 1.049 106 V HN 0.461 nan 8.190 nan 0.000 0.431 107 S N 2.906 118.578 115.700 -0.046 0.000 2.645 107 S HA 0.348 4.818 4.470 -0.000 0.000 0.266 107 S C 0.855 175.494 174.600 0.064 0.000 1.258 107 S CA -0.318 57.886 58.200 0.007 0.000 0.990 107 S CB 0.991 64.199 63.200 0.014 0.000 0.967 107 S HN 0.681 nan 8.310 nan 0.000 0.556 108 K N 0.023 120.473 120.400 0.082 0.000 2.103 108 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 108 K C 2.347 179.018 176.600 0.118 0.000 1.048 108 K CA 1.517 57.886 56.287 0.137 0.000 0.930 108 K CB -0.259 32.301 32.500 0.099 0.000 0.716 108 K HN 0.653 nan 8.250 nan 0.000 0.444 109 Q N 1.195 121.041 119.800 0.075 0.000 2.084 109 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 109 Q C 1.755 177.806 176.000 0.085 0.000 0.978 109 Q CA 1.716 57.553 55.803 0.058 0.000 0.844 109 Q CB 0.032 28.796 28.738 0.042 0.000 0.898 109 Q HN 0.319 nan 8.270 nan 0.000 0.426 110 Q N -1.586 118.285 119.800 0.119 0.000 2.119 110 Q HA -0.163 4.177 4.340 -0.000 0.000 0.201 110 Q C 1.695 177.898 176.000 0.339 0.000 0.972 110 Q CA 1.349 57.267 55.803 0.191 0.000 0.847 110 Q CB -0.220 28.588 28.738 0.116 0.000 0.903 110 Q HN 0.485 nan 8.270 nan 0.000 0.433 111 Y N 0.883 121.289 120.300 0.176 0.000 2.184 111 Y HA -0.126 4.424 4.550 -0.000 0.000 0.290 111 Y C 2.155 178.135 175.900 0.133 0.000 1.129 111 Y CA 1.125 59.348 58.100 0.204 0.000 1.144 111 Y CB -0.722 37.811 38.460 0.123 0.000 0.995 111 Y HN 0.044 nan 8.280 nan 0.000 0.513 112 A N 0.484 123.173 122.820 -0.219 0.000 1.917 112 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 112 A C 1.919 179.414 177.584 -0.149 0.000 1.182 112 A CA 2.288 54.169 52.037 -0.260 0.000 0.633 112 A CB -0.962 17.979 19.000 -0.099 0.000 0.819 112 A HN 0.569 nan 8.150 nan 0.000 0.448 113 D N -0.265 120.111 120.400 -0.039 0.000 2.178 113 D HA 0.023 4.663 4.640 -0.000 0.000 0.202 113 D C 2.174 178.463 176.300 -0.020 0.000 0.974 113 D CA 1.390 55.384 54.000 -0.010 0.000 0.841 113 D CB -0.385 40.438 40.800 0.037 0.000 0.953 113 D HN 0.461 nan 8.370 nan 0.000 0.478 114 A N 0.801 123.613 122.820 -0.013 0.000 1.897 114 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 114 A C 2.004 179.570 177.584 -0.030 0.000 1.181 114 A CA 1.222 53.226 52.037 -0.055 0.000 0.620 114 A CB -0.668 18.256 19.000 -0.125 0.000 0.821 114 A HN 0.222 nan 8.150 nan 0.000 0.443 115 N N 0.324 118.957 118.700 -0.111 0.000 2.166 115 N HA -0.141 4.599 4.740 -0.000 0.000 0.186 115 N C 1.928 177.455 175.510 0.028 0.000 1.019 115 N CA 1.259 54.277 53.050 -0.053 0.000 0.856 115 N CB -0.166 38.126 38.487 -0.324 0.000 0.993 115 N HN 0.372 nan 8.380 nan 0.000 0.426 116 A N 1.001 123.797 122.820 -0.041 0.000 1.902 116 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 116 A C 2.380 179.958 177.584 -0.011 0.000 1.181 116 A CA 1.792 53.812 52.037 -0.028 0.000 0.623 116 A CB -0.882 18.095 19.000 -0.037 0.000 0.818 116 A HN 0.470 nan 8.150 nan 0.000 0.443 117 A N -1.366 121.458 122.820 0.008 0.000 1.898 117 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 117 A C 2.114 179.723 177.584 0.042 0.000 1.181 117 A CA 1.660 53.703 52.037 0.012 0.000 0.620 117 A CB -0.838 18.165 19.000 0.004 0.000 0.819 117 A HN 0.774 nan 8.150 nan 0.000 0.442 118 Y N 0.870 121.140 120.300 -0.050 0.000 2.030 118 Y HA -0.244 4.306 4.550 -0.000 0.000 0.274 118 Y C 1.922 177.807 175.900 -0.025 0.000 1.153 118 Y CA 1.988 60.066 58.100 -0.037 0.000 1.115 118 Y CB -0.761 37.680 38.460 -0.032 0.000 0.969 118 Y HN 0.202 nan 8.280 nan 0.000 0.488 119 L N 0.208 121.189 121.223 -0.403 0.000 2.081 119 L HA -0.327 4.013 4.340 -0.000 0.000 0.212 119 L C 2.577 179.294 176.870 -0.256 0.000 1.080 119 L CA 1.975 56.557 54.840 -0.430 0.000 0.754 119 L CB -0.731 41.211 42.059 -0.195 0.000 0.893 119 L HN 0.385 nan 8.230 nan 0.000 0.433 120 Q N -0.961 118.750 119.800 -0.147 0.000 2.167 120 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 120 Q C 2.439 178.384 176.000 -0.091 0.000 0.970 120 Q CA 1.561 57.309 55.803 -0.093 0.000 0.855 120 Q CB -0.047 28.660 28.738 -0.051 0.000 0.911 120 Q HN 0.411 nan 8.270 nan 0.000 0.438 121 S N 0.620 116.258 115.700 -0.104 0.000 2.357 121 S HA -0.119 4.351 4.470 -0.000 0.000 0.221 121 S C 1.755 176.299 174.600 -0.093 0.000 1.031 121 S CA 0.884 59.043 58.200 -0.069 0.000 0.982 121 S CB -0.066 63.120 63.200 -0.022 0.000 0.853 121 S HN 0.249 nan 8.310 nan 0.000 0.458 122 K N 1.208 121.489 120.400 -0.199 0.000 2.032 122 K HA -0.115 4.205 4.320 -0.000 0.000 0.209 122 K C 2.265 178.805 176.600 -0.100 0.000 1.048 122 K CA 1.264 57.441 56.287 -0.182 0.000 0.927 122 K CB -0.348 31.930 32.500 -0.369 0.000 0.712 122 K HN 0.306 nan 8.250 nan 0.000 0.441 123 A N 1.007 123.762 122.820 -0.107 0.000 1.883 123 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 123 A C 2.301 179.873 177.584 -0.020 0.000 1.186 123 A CA 2.061 54.063 52.037 -0.057 0.000 0.624 123 A CB -0.811 18.154 19.000 -0.058 0.000 0.822 123 A HN 0.473 nan 8.150 nan 0.000 0.444 124 A N -0.811 121.998 122.820 -0.017 0.000 1.972 124 A HA 0.030 4.350 4.320 -0.000 0.000 0.219 124 A C 2.228 179.846 177.584 0.056 0.000 1.169 124 A CA 1.748 53.795 52.037 0.017 0.000 0.635 124 A CB -0.769 18.238 19.000 0.012 0.000 0.810 124 A HN 0.370 nan 8.150 nan 0.000 0.446 125 V N -0.207 119.739 119.914 0.052 0.000 2.307 125 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 125 V C 2.614 178.803 176.094 0.159 0.000 1.045 125 V CA 2.324 64.700 62.300 0.126 0.000 1.024 125 V CB -0.578 31.289 31.823 0.074 0.000 0.651 125 V HN 0.681 nan 8.190 nan 0.000 0.449 126 E N 0.352 120.593 120.200 0.068 0.000 2.058 126 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 126 E C 2.156 178.761 176.600 0.007 0.000 0.997 126 E CA 1.922 58.339 56.400 0.029 0.000 0.801 126 E CB -0.373 29.327 29.700 -0.000 0.000 0.746 126 E HN 0.539 nan 8.360 nan 0.000 0.450 127 Q N -0.112 119.700 119.800 0.020 0.000 2.119 127 Q HA 0.062 4.402 4.340 -0.000 0.000 0.201 127 Q C 1.955 177.965 176.000 0.018 0.000 0.972 127 Q CA 1.986 57.798 55.803 0.014 0.000 0.847 127 Q CB -0.697 28.060 28.738 0.031 0.000 0.903 127 Q HN 0.302 nan 8.270 nan 0.000 0.433 128 A N 0.493 123.359 122.820 0.077 0.000 1.933 128 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 128 A C 2.176 179.713 177.584 -0.078 0.000 1.175 128 A CA 1.544 53.654 52.037 0.121 0.000 0.628 128 A CB -0.611 18.555 19.000 0.277 0.000 0.814 128 A HN 0.403 nan 8.150 nan 0.000 0.444 129 R N -0.325 120.048 120.500 -0.211 0.000 2.080 129 R HA -0.136 4.204 4.340 -0.000 0.000 0.236 129 R C 2.001 178.065 176.300 -0.394 0.000 1.137 129 R CA 1.975 57.749 56.100 -0.543 0.000 0.943 129 R CB -0.439 29.669 30.300 -0.320 0.000 0.846 129 R HN 0.555 nan 8.270 nan 0.000 0.431 130 I N 1.301 121.703 120.570 -0.280 0.000 2.163 130 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 130 I C 1.845 177.718 176.117 -0.407 0.000 1.085 130 I CA 1.364 62.444 61.300 -0.366 0.000 1.347 130 I CB -0.418 37.447 38.000 -0.226 0.000 1.044 130 I HN 0.264 nan 8.210 nan 0.000 0.408 131 N N 0.624 119.181 118.700 -0.238 0.000 2.166 131 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 131 N C 1.735 176.978 175.510 -0.445 0.000 1.019 131 N CA 1.117 53.991 53.050 -0.293 0.000 0.856 131 N CB -0.506 37.800 38.487 -0.301 0.000 0.993 131 N HN 0.218 nan 8.380 nan 0.000 0.426 132 L N 1.587 122.608 121.223 -0.336 0.000 2.056 132 L HA -0.022 4.318 4.340 -0.000 0.000 0.207 132 L C 2.322 179.046 176.870 -0.243 0.000 1.078 132 L CA 1.532 56.223 54.840 -0.248 0.000 0.749 132 L CB -0.594 41.324 42.059 -0.236 0.000 0.901 132 L HN 0.046 nan 8.230 nan 0.000 0.433 133 R N -1.437 118.868 120.500 -0.326 0.000 2.091 133 R HA -0.235 4.105 4.340 -0.000 0.000 0.238 133 R C 2.156 178.328 176.300 -0.214 0.000 1.136 133 R CA 2.095 58.012 56.100 -0.305 0.000 0.959 133 R CB -0.585 29.474 30.300 -0.402 0.000 0.856 133 R HN 0.537 nan 8.270 nan 0.000 0.437 134 Y N 0.217 120.417 120.300 -0.166 0.000 2.616 134 Y HA -0.089 4.461 4.550 -0.000 0.000 0.296 134 Y C 2.311 178.131 175.900 -0.132 0.000 1.154 134 Y CA 0.790 58.805 58.100 -0.141 0.000 1.325 134 Y CB 0.143 38.507 38.460 -0.161 0.000 1.007 134 Y HN 0.311 nan 8.280 nan 0.000 0.542 135 T N -1.999 112.544 114.554 -0.020 0.000 3.007 135 T HA -0.099 4.251 4.350 -0.000 0.000 0.270 135 T C 0.582 175.319 174.700 0.062 0.000 1.107 135 T CA 0.513 62.618 62.100 0.008 0.000 1.118 135 T CB -0.186 68.692 68.868 0.017 0.000 0.889 135 T HN 0.123 nan 8.240 nan 0.000 0.506 136 K N 2.207 122.643 120.400 0.060 0.000 2.266 136 K HA 0.460 4.780 4.320 -0.000 0.000 0.274 136 K C -1.067 175.599 176.600 0.111 0.000 1.090 136 K CA -0.485 55.851 56.287 0.081 0.000 0.925 136 K CB 1.622 34.151 32.500 0.048 0.000 1.225 136 K HN 0.081 nan 8.250 nan 0.000 0.458 137 V N 5.739 125.741 119.914 0.148 0.000 2.405 137 V HA 0.171 4.291 4.120 -0.000 0.000 0.264 137 V C 0.379 176.568 176.094 0.158 0.000 1.048 137 V CA -0.445 61.950 62.300 0.159 0.000 0.966 137 V CB -0.035 31.908 31.823 0.200 0.000 1.015 137 V HN 0.571 nan 8.190 nan 0.000 0.477 138 L N 3.163 124.448 121.223 0.104 0.000 2.387 138 L HA 0.545 4.884 4.340 -0.000 0.000 0.266 138 L C 0.628 177.521 176.870 0.039 0.000 1.059 138 L CA -0.345 54.534 54.840 0.065 0.000 0.801 138 L CB 1.549 43.639 42.059 0.050 0.000 1.223 138 L HN 0.580 nan 8.230 nan 0.000 0.456 139 S N 0.238 115.939 115.700 0.001 0.000 2.513 139 S HA 0.297 4.766 4.470 -0.000 0.000 0.276 139 S C -1.808 172.783 174.600 -0.014 0.000 1.254 139 S CA -1.325 56.857 58.200 -0.031 0.000 1.053 139 S CB 1.164 64.321 63.200 -0.071 0.000 0.958 139 S HN 0.337 nan 8.310 nan 0.000 0.491 140 P HA 0.168 nan 4.420 nan 0.000 0.225 140 P C -0.002 177.292 177.300 -0.009 0.000 1.156 140 P CA 0.587 63.683 63.100 -0.007 0.000 0.787 140 P CB -0.076 31.618 31.700 -0.010 0.000 0.802 141 I N -7.095 113.465 120.570 -0.017 0.000 3.095 141 I HA 0.489 4.659 4.170 -0.000 0.000 0.310 141 I C -0.901 175.206 176.117 -0.018 0.000 1.196 141 I CA -1.301 59.992 61.300 -0.010 0.000 0.985 141 I CB 2.197 40.195 38.000 -0.003 0.000 1.250 141 I HN -0.514 nan 8.210 nan 0.000 0.446 142 S N 1.566 117.261 115.700 -0.007 0.000 2.528 142 S HA 0.788 5.258 4.470 -0.000 0.000 0.277 142 S C 0.177 174.771 174.600 -0.011 0.000 1.297 142 S CA 0.339 58.532 58.200 -0.012 0.000 1.052 142 S CB 0.796 63.994 63.200 -0.004 0.000 0.917 142 S HN 1.141 nan 8.310 nan 0.000 0.492 143 G N 1.951 110.737 108.800 -0.025 0.000 2.323 143 G HA2 0.382 4.342 3.960 -0.000 0.000 0.291 143 G HA3 0.382 4.342 3.960 -0.000 0.000 0.291 143 G C -1.576 173.303 174.900 -0.036 0.000 1.278 143 G CA -1.094 43.993 45.100 -0.021 0.000 0.860 143 G HN 0.657 nan 8.290 nan 0.000 0.504 144 R N -0.334 120.148 120.500 -0.030 0.000 2.297 144 R HA 0.714 5.054 4.340 -0.000 0.000 0.308 144 R C -0.416 175.851 176.300 -0.055 0.000 1.029 144 R CA -0.592 55.489 56.100 -0.033 0.000 0.929 144 R CB 1.034 31.326 30.300 -0.014 0.000 1.046 144 R HN 0.574 nan 8.270 nan 0.000 0.461 145 I N 3.647 124.167 120.570 -0.083 0.000 2.498 145 I HA 0.466 4.636 4.170 -0.000 0.000 0.301 145 I C 0.472 176.569 176.117 -0.033 0.000 0.984 145 I CA -0.212 61.007 61.300 -0.134 0.000 1.204 145 I CB 1.631 39.405 38.000 -0.378 0.000 1.362 145 I HN 0.857 nan 8.210 nan 0.000 0.471 146 G N 6.019 114.816 108.800 -0.005 0.000 2.714 146 G HA2 0.375 4.335 3.960 -0.000 0.000 0.197 146 G HA3 0.375 4.335 3.960 -0.000 0.000 0.197 146 G C -0.208 174.781 174.900 0.147 0.000 1.449 146 G CA -0.711 44.425 45.100 0.059 0.000 1.065 146 G HN 0.583 nan 8.290 nan 0.000 0.575 147 R N -0.485 120.096 120.500 0.135 0.000 2.738 147 R HA 0.279 4.619 4.340 -0.000 0.000 0.268 147 R C 0.002 176.450 176.300 0.248 0.000 1.062 147 R CA 0.001 56.203 56.100 0.169 0.000 1.158 147 R CB 0.701 31.063 30.300 0.104 0.000 1.046 147 R HN 0.340 nan 8.270 nan 0.000 0.493 148 S N 0.617 116.482 115.700 0.275 0.000 2.465 148 S HA 0.220 4.689 4.470 -0.000 0.000 0.279 148 S C 0.951 175.667 174.600 0.194 0.000 1.201 148 S CA -0.406 57.997 58.200 0.338 0.000 1.053 148 S CB 1.188 64.570 63.200 0.303 0.000 0.953 148 S HN 0.667 nan 8.310 nan 0.000 0.488 149 A N 4.724 127.643 122.820 0.166 0.000 2.209 149 A HA 0.286 4.606 4.320 -0.000 0.000 0.212 149 A C 0.441 178.063 177.584 0.064 0.000 1.158 149 A CA 0.430 52.520 52.037 0.088 0.000 0.742 149 A CB -0.007 19.029 19.000 0.059 0.000 0.790 149 A HN 0.633 nan 8.150 nan 0.000 0.472 150 V N 0.185 120.151 119.914 0.086 0.000 2.709 150 V HA 0.423 4.543 4.120 -0.000 0.000 0.308 150 V C 0.272 176.413 176.094 0.078 0.000 1.062 150 V CA -0.232 62.091 62.300 0.039 0.000 0.901 150 V CB 2.002 33.791 31.823 -0.056 0.000 1.003 150 V HN 0.453 nan 8.190 nan 0.000 0.425 151 T N 0.806 115.387 114.554 0.044 0.000 2.881 151 T HA 0.570 4.920 4.350 -0.000 0.000 0.278 151 T C -0.019 174.711 174.700 0.050 0.000 0.982 151 T CA -0.712 61.416 62.100 0.046 0.000 0.989 151 T CB 1.145 70.027 68.868 0.024 0.000 1.058 151 T HN 0.641 nan 8.240 nan 0.000 0.529 152 E N -0.203 120.025 120.200 0.045 0.000 2.418 152 E HA 0.385 4.735 4.350 -0.000 0.000 0.261 152 E C 1.308 177.923 176.600 0.026 0.000 1.070 152 E CA 0.571 56.997 56.400 0.043 0.000 0.931 152 E CB 0.051 29.769 29.700 0.030 0.000 0.954 152 E HN 1.087 nan 8.360 nan 0.000 0.439 153 G N 1.014 109.829 108.800 0.026 0.000 2.168 153 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.263 153 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.263 153 G C 0.263 175.169 174.900 0.011 0.000 0.977 153 G CA 0.202 45.312 45.100 0.017 0.000 0.659 153 G HN 0.748 nan 8.290 nan 0.000 0.533 154 A N -0.183 122.641 122.820 0.008 0.000 2.316 154 A HA 0.778 5.098 4.320 -0.000 0.000 0.284 154 A C 0.541 178.121 177.584 -0.008 0.000 1.115 154 A CA -0.394 51.641 52.037 -0.003 0.000 0.812 154 A CB 0.619 19.612 19.000 -0.010 0.000 1.064 154 A HN 0.722 nan 8.150 nan 0.000 0.489 155 L N 1.917 123.135 121.223 -0.009 0.000 2.350 155 L HA 0.545 4.885 4.340 -0.000 0.000 0.275 155 L C 0.040 176.897 176.870 -0.021 0.000 1.099 155 L CA -0.518 54.317 54.840 -0.007 0.000 0.808 155 L CB 1.291 43.349 42.059 -0.003 0.000 1.149 155 L HN 0.664 nan 8.230 nan 0.000 0.442 156 V N -0.606 119.295 119.914 -0.021 0.000 3.102 156 V HA 0.775 4.895 4.120 -0.000 0.000 0.312 156 V C -0.442 175.636 176.094 -0.025 0.000 1.135 156 V CA -0.475 61.800 62.300 -0.042 0.000 1.022 156 V CB 2.126 33.901 31.823 -0.079 0.000 1.056 156 V HN 0.710 nan 8.190 nan 0.000 0.436 157 T N 1.918 116.449 114.554 -0.037 0.000 2.971 157 T HA 0.389 4.739 4.350 -0.000 0.000 0.304 157 T C -0.574 174.095 174.700 -0.051 0.000 1.038 157 T CA -0.378 61.705 62.100 -0.028 0.000 1.007 157 T CB 1.290 70.146 68.868 -0.020 0.000 1.055 157 T HN 1.037 nan 8.240 nan 0.000 0.451 158 N N 1.589 120.257 118.700 -0.054 0.000 2.365 158 N HA 0.252 4.992 4.740 -0.000 0.000 0.265 158 N C 1.349 176.818 175.510 -0.068 0.000 1.288 158 N CA 1.943 54.942 53.050 -0.085 0.000 0.869 158 N CB -0.038 38.400 38.487 -0.083 0.000 1.071 158 N HN 1.048 nan 8.380 nan 0.000 0.480 159 G N 2.093 110.845 108.800 -0.080 0.000 2.176 159 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.253 159 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.253 159 G C 0.089 174.959 174.900 -0.049 0.000 0.979 159 G CA 0.511 45.575 45.100 -0.061 0.000 0.641 159 G HN 0.945 nan 8.290 nan 0.000 0.530 160 Q N -0.512 119.258 119.800 -0.050 0.000 2.539 160 Q HA 0.585 4.925 4.340 -0.000 0.000 0.268 160 Q C 1.663 177.640 176.000 -0.038 0.000 1.109 160 Q CA 0.595 56.374 55.803 -0.041 0.000 0.968 160 Q CB 0.599 29.311 28.738 -0.044 0.000 1.309 160 Q HN 0.905 nan 8.270 nan 0.000 0.497 161 A N 2.437 125.239 122.820 -0.030 0.000 1.930 161 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 161 A C 0.348 177.917 177.584 -0.025 0.000 1.176 161 A CA 0.889 52.911 52.037 -0.025 0.000 0.632 161 A CB -0.403 18.586 19.000 -0.019 0.000 0.819 161 A HN 0.847 nan 8.150 nan 0.000 0.445 162 N N 0.303 118.987 118.700 -0.026 0.000 2.426 162 N HA 0.499 5.238 4.740 -0.000 0.000 0.275 162 N C -0.245 175.247 175.510 -0.028 0.000 1.019 162 N CA -0.207 52.830 53.050 -0.022 0.000 0.941 162 N CB 1.276 39.754 38.487 -0.016 0.000 1.123 162 N HN 0.417 nan 8.380 nan 0.000 0.486 163 A N 2.594 125.402 122.820 -0.021 0.000 2.561 163 A HA -0.066 4.254 4.320 -0.000 0.000 0.234 163 A C 1.226 178.805 177.584 -0.008 0.000 1.055 163 A CA 0.386 52.413 52.037 -0.017 0.000 0.756 163 A CB 0.097 19.094 19.000 -0.006 0.000 0.986 163 A HN 0.826 nan 8.150 nan 0.000 0.505 164 M N 1.060 120.653 119.600 -0.013 0.000 2.388 164 M HA 0.207 4.687 4.480 -0.000 0.000 0.265 164 M C 0.791 177.183 176.300 0.153 0.000 1.088 164 M CA 1.579 56.886 55.300 0.012 0.000 1.134 164 M CB -0.200 32.311 32.600 -0.148 0.000 1.384 164 M HN 0.882 nan 8.290 nan 0.000 0.447 165 A N -0.696 122.200 122.820 0.126 0.000 2.566 165 A HA 0.693 5.013 4.320 -0.000 0.000 0.290 165 A C -1.001 176.598 177.584 0.025 0.000 1.071 165 A CA -0.724 51.381 52.037 0.112 0.000 0.658 165 A CB 1.095 20.164 19.000 0.115 0.000 1.285 165 A HN 0.051 nan 8.150 nan 0.000 0.427 166 T N 0.381 114.930 114.554 -0.009 0.000 2.893 166 T HA 0.632 4.981 4.350 -0.000 0.000 0.293 166 T C -1.127 173.539 174.700 -0.057 0.000 1.027 166 T CA -0.401 61.685 62.100 -0.024 0.000 0.988 166 T CB 1.598 70.463 68.868 -0.005 0.000 1.043 166 T HN 0.905 nan 8.240 nan 0.000 0.461 167 V N 3.351 123.231 119.914 -0.057 0.000 2.540 167 V HA 0.510 4.629 4.120 -0.000 0.000 0.302 167 V C -0.664 175.412 176.094 -0.031 0.000 1.035 167 V CA -0.850 61.410 62.300 -0.066 0.000 0.873 167 V CB 1.856 33.628 31.823 -0.086 0.000 0.992 167 V HN 0.833 nan 8.190 nan 0.000 0.428 168 Q N 3.151 122.938 119.800 -0.021 0.000 2.310 168 Q HA 0.428 4.768 4.340 -0.000 0.000 0.270 168 Q C -0.813 175.193 176.000 0.010 0.000 1.025 168 Q CA -0.491 55.313 55.803 0.002 0.000 0.772 168 Q CB 2.861 31.603 28.738 0.006 0.000 1.253 168 Q HN 0.734 nan 8.270 nan 0.000 0.450 169 Q N 3.539 123.360 119.800 0.036 0.000 2.296 169 Q HA 0.142 4.482 4.340 -0.000 0.000 0.263 169 Q C -0.237 175.789 176.000 0.042 0.000 1.026 169 Q CA 0.186 56.018 55.803 0.048 0.000 0.912 169 Q CB 0.512 29.318 28.738 0.114 0.000 1.198 169 Q HN 0.765 nan 8.270 nan 0.000 0.407 170 L N 3.173 124.393 121.223 -0.004 0.000 2.731 170 L HA 0.104 4.444 4.340 -0.000 0.000 0.240 170 L C 1.347 178.175 176.870 -0.070 0.000 1.120 170 L CA -0.156 54.671 54.840 -0.022 0.000 0.913 170 L CB 0.146 42.197 42.059 -0.013 0.000 1.213 170 L HN 0.678 nan 8.230 nan 0.000 0.515 171 D N 1.681 122.019 120.400 -0.103 0.000 2.128 171 D HA 0.003 4.643 4.640 -0.000 0.000 0.213 171 D C -1.696 174.483 176.300 -0.201 0.000 0.983 171 D CA 0.196 54.130 54.000 -0.110 0.000 0.889 171 D CB -1.016 39.725 40.800 -0.098 0.000 1.018 171 D HN -0.035 nan 8.370 nan 0.000 0.448 172 P HA 0.147 nan 4.420 nan 0.000 0.263 172 P C -0.509 176.482 177.300 -0.514 0.000 1.195 172 P CA 0.411 63.138 63.100 -0.621 0.000 0.762 172 P CB 0.560 31.534 31.700 -1.210 0.000 0.799 173 I N 3.526 123.929 120.570 -0.277 0.000 2.740 173 I HA 0.409 4.579 4.170 -0.000 0.000 0.303 173 I C -0.826 175.281 176.117 -0.016 0.000 1.044 173 I CA -1.280 59.949 61.300 -0.118 0.000 1.064 173 I CB 1.531 39.501 38.000 -0.050 0.000 1.249 173 I HN 0.233 nan 8.210 nan 0.000 0.433 174 Y N 4.481 124.867 120.300 0.144 0.000 2.387 174 Y HA 0.355 4.905 4.550 -0.000 0.000 0.330 174 Y C 0.601 176.550 175.900 0.082 0.000 1.133 174 Y CA -0.699 57.484 58.100 0.138 0.000 1.152 174 Y CB 1.933 40.462 38.460 0.116 0.000 1.215 174 Y HN 0.282 nan 8.280 nan 0.000 0.466 175 V N 0.005 120.108 119.914 0.315 0.000 2.806 175 V HA 0.010 4.130 4.120 -0.000 0.000 0.239 175 V C -0.780 175.355 176.094 0.067 0.000 1.113 175 V CA 0.514 62.907 62.300 0.155 0.000 1.137 175 V CB -0.224 31.699 31.823 0.166 0.000 0.865 175 V HN 0.889 nan 8.190 nan 0.000 0.482 176 D N 0.195 120.623 120.400 0.046 0.000 4.494 176 D HA -0.100 4.540 4.640 -0.000 0.000 0.243 176 D C -0.854 175.431 176.300 -0.024 0.000 1.082 176 D CA 0.379 54.361 54.000 -0.029 0.000 1.170 176 D CB -0.538 40.229 40.800 -0.055 0.000 0.792 176 D HN 0.213 nan 8.370 nan 0.000 0.376 177 V N 1.643 121.551 119.914 -0.011 0.000 2.384 177 V HA 0.687 4.807 4.120 -0.000 0.000 0.287 177 V C 0.786 176.882 176.094 0.003 0.000 1.020 177 V CA -0.437 61.865 62.300 0.002 0.000 0.850 177 V CB 1.864 33.706 31.823 0.033 0.000 0.987 177 V HN 0.565 nan 8.190 nan 0.000 0.436 178 T N 2.490 117.044 114.554 0.000 0.000 2.753 178 T HA 0.675 5.025 4.350 -0.000 0.000 0.297 178 T C -0.564 174.147 174.700 0.018 0.000 0.981 178 T CA -0.705 61.398 62.100 0.005 0.000 0.956 178 T CB 1.171 70.036 68.868 -0.004 0.000 0.936 178 T HN 0.555 nan 8.240 nan 0.000 0.463 179 Q N 2.678 122.494 119.800 0.026 0.000 2.372 179 Q HA 0.444 4.783 4.340 -0.000 0.000 0.273 179 Q C -2.864 173.150 176.000 0.024 0.000 1.078 179 Q CA -2.449 53.373 55.803 0.032 0.000 0.806 179 Q CB 2.030 30.796 28.738 0.048 0.000 1.332 179 Q HN 0.436 nan 8.270 nan 0.000 0.435 180 P HA -0.123 nan 4.420 nan 0.000 0.267 180 P C 0.685 177.991 177.300 0.010 0.000 1.175 180 P CA 0.727 63.834 63.100 0.013 0.000 0.763 180 P CB 0.517 32.225 31.700 0.013 0.000 0.795 181 S N 0.538 116.240 115.700 0.004 0.000 2.447 181 S HA -0.147 4.323 4.470 -0.000 0.000 0.233 181 S C 1.621 176.215 174.600 -0.010 0.000 1.006 181 S CA 1.557 59.756 58.200 -0.002 0.000 0.957 181 S CB -1.481 61.717 63.200 -0.004 0.000 0.773 181 S HN 0.615 nan 8.310 nan 0.000 0.507 182 T N 1.440 115.989 114.554 -0.008 0.000 2.643 182 T HA 0.035 4.385 4.350 -0.000 0.000 0.264 182 T C 2.119 176.809 174.700 -0.018 0.000 1.045 182 T CA 1.124 63.216 62.100 -0.013 0.000 1.155 182 T CB -1.223 67.641 68.868 -0.007 0.000 0.863 182 T HN 0.520 nan 8.240 nan 0.000 0.420 183 A N 2.272 125.089 122.820 -0.006 0.000 1.894 183 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 183 A C 2.405 179.977 177.584 -0.021 0.000 1.237 183 A CA 2.362 54.399 52.037 -0.000 0.000 0.660 183 A CB -1.371 17.642 19.000 0.022 0.000 0.835 183 A HN 0.552 nan 8.150 nan 0.000 0.461 184 L N -0.938 120.276 121.223 -0.016 0.000 2.012 184 L HA -0.135 4.205 4.340 -0.000 0.000 0.210 184 L C 2.332 179.126 176.870 -0.126 0.000 1.073 184 L CA 2.071 56.884 54.840 -0.045 0.000 0.748 184 L CB -0.333 41.724 42.059 -0.004 0.000 0.891 184 L HN 0.409 nan 8.230 nan 0.000 0.431 185 L N -0.968 120.202 121.223 -0.088 0.000 2.179 185 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 185 L C 2.700 179.504 176.870 -0.109 0.000 1.096 185 L CA 1.101 55.880 54.840 -0.102 0.000 0.779 185 L CB -0.439 41.583 42.059 -0.063 0.000 0.922 185 L HN 0.307 nan 8.230 nan 0.000 0.443 186 R N 0.728 121.178 120.500 -0.084 0.000 2.097 186 R HA -0.218 4.122 4.340 -0.000 0.000 0.236 186 R C 2.211 178.437 176.300 -0.122 0.000 1.135 186 R CA 1.908 57.962 56.100 -0.076 0.000 0.934 186 R CB -0.508 29.765 30.300 -0.044 0.000 0.846 186 R HN 0.267 nan 8.270 nan 0.000 0.431 187 L N 0.165 121.287 121.223 -0.167 0.000 2.131 187 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 187 L C 2.774 179.350 176.870 -0.491 0.000 1.092 187 L CA 1.364 56.045 54.840 -0.266 0.000 0.759 187 L CB -0.346 41.562 42.059 -0.252 0.000 0.903 187 L HN 0.282 nan 8.230 nan 0.000 0.435 188 R N 0.038 120.247 120.500 -0.485 0.000 2.153 188 R HA -0.090 4.250 4.340 -0.000 0.000 0.218 188 R C 2.421 178.576 176.300 -0.242 0.000 1.072 188 R CA 0.944 56.753 56.100 -0.486 0.000 0.990 188 R CB -0.078 30.012 30.300 -0.350 0.000 0.889 188 R HN 0.485 nan 8.270 nan 0.000 0.452 189 R N 0.759 121.159 120.500 -0.167 0.000 2.100 189 R HA 0.009 4.349 4.340 -0.000 0.000 0.220 189 R C 1.463 177.720 176.300 -0.072 0.000 1.091 189 R CA 0.957 57.000 56.100 -0.094 0.000 0.986 189 R CB -0.293 29.966 30.300 -0.068 0.000 0.888 189 R HN 0.146 nan 8.270 nan 0.000 0.444 190 E N 1.282 121.435 120.200 -0.079 0.000 2.049 190 E HA -0.234 4.116 4.350 -0.000 0.000 0.198 190 E C 2.002 178.589 176.600 -0.021 0.000 1.007 190 E CA 1.609 57.984 56.400 -0.042 0.000 0.809 190 E CB -0.249 29.431 29.700 -0.033 0.000 0.749 190 E HN 0.237 nan 8.360 nan 0.000 0.450 191 L N 0.930 122.130 121.223 -0.038 0.000 2.079 191 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 191 L C 2.196 179.074 176.870 0.013 0.000 1.081 191 L CA 2.041 56.899 54.840 0.029 0.000 0.752 191 L CB -0.474 41.641 42.059 0.093 0.000 0.896 191 L HN 0.065 nan 8.230 nan 0.000 0.433 192 A N -0.768 122.040 122.820 -0.020 0.000 1.858 192 A HA -0.203 4.116 4.320 -0.000 0.000 0.216 192 A C 2.465 180.046 177.584 -0.005 0.000 1.190 192 A CA 2.236 54.266 52.037 -0.012 0.000 0.617 192 A CB -1.256 17.727 19.000 -0.028 0.000 0.827 192 A HN 0.669 nan 8.150 nan 0.000 0.443 193 S N -1.412 114.283 115.700 -0.009 0.000 2.349 193 S HA 0.262 4.732 4.470 -0.000 0.000 0.216 193 S C 1.553 176.156 174.600 0.005 0.000 1.033 193 S CA 1.916 60.114 58.200 -0.003 0.000 1.021 193 S CB -0.745 62.451 63.200 -0.006 0.000 0.968 193 S HN 1.826 nan 8.310 nan 0.000 0.426 194 G N -0.228 108.578 108.800 0.009 0.000 3.290 194 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.220 194 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.220 194 G C 0.472 175.385 174.900 0.021 0.000 0.940 194 G CA 0.134 45.244 45.100 0.018 0.000 0.884 194 G HN 0.450 nan 8.290 nan 0.000 0.649 195 Q N -0.611 119.198 119.800 0.016 0.000 2.561 195 Q HA 0.247 4.587 4.340 -0.000 0.000 0.217 195 Q C 0.185 176.204 176.000 0.032 0.000 0.980 195 Q CA 0.748 56.563 55.803 0.019 0.000 0.927 195 Q CB 0.251 28.996 28.738 0.011 0.000 0.980 195 Q HN 0.382 nan 8.270 nan 0.000 0.525 196 L N 0.855 122.103 121.223 0.042 0.000 2.476 196 L HA 0.216 4.556 4.340 -0.000 0.000 0.269 196 L C -0.978 175.933 176.870 0.068 0.000 0.965 196 L CA -0.371 54.509 54.840 0.066 0.000 0.845 196 L CB 2.052 44.165 42.059 0.090 0.000 1.259 196 L HN -0.047 nan 8.230 nan 0.000 0.403 197 E N 3.639 123.876 120.200 0.063 0.000 2.417 197 E HA 0.051 4.401 4.350 -0.000 0.000 0.261 197 E C -0.260 176.373 176.600 0.054 0.000 1.000 197 E CA -0.074 56.356 56.400 0.049 0.000 0.919 197 E CB 0.659 30.384 29.700 0.041 0.000 0.955 197 E HN 0.307 nan 8.360 nan 0.000 0.455 198 R N 2.330 122.856 120.500 0.044 0.000 2.234 198 R HA 0.228 4.568 4.340 -0.000 0.000 0.324 198 R C 0.461 176.772 176.300 0.019 0.000 1.054 198 R CA 0.067 56.194 56.100 0.044 0.000 0.912 198 R CB 0.685 31.010 30.300 0.041 0.000 1.030 198 R HN 0.664 nan 8.270 nan 0.000 0.455 199 A N 3.865 126.686 122.820 0.003 0.000 1.835 199 A HA 0.251 4.571 4.320 -0.000 0.000 0.213 199 A C 0.880 178.455 177.584 -0.014 0.000 1.210 199 A CA 1.246 53.269 52.037 -0.023 0.000 0.605 199 A CB -0.283 18.678 19.000 -0.064 0.000 0.860 199 A HN 0.779 nan 8.150 nan 0.000 0.447 200 G N -1.292 107.503 108.800 -0.008 0.000 2.870 200 G HA2 0.481 4.441 3.960 -0.000 0.000 0.299 200 G HA3 0.481 4.441 3.960 -0.000 0.000 0.299 200 G C -2.004 172.910 174.900 0.025 0.000 1.324 200 G CA -0.387 44.715 45.100 0.003 0.000 0.808 200 G HN 0.155 nan 8.290 nan 0.000 0.535 201 D N 0.552 120.969 120.400 0.027 0.000 2.450 201 D HA 0.274 4.914 4.640 -0.000 0.000 0.247 201 D C 0.783 177.118 176.300 0.059 0.000 1.162 201 D CA 0.513 54.538 54.000 0.042 0.000 0.879 201 D CB 0.720 41.539 40.800 0.032 0.000 1.163 201 D HN 0.503 nan 8.370 nan 0.000 0.472 202 N N 0.476 119.239 118.700 0.105 0.000 2.800 202 N HA -0.233 4.507 4.740 -0.000 0.000 0.250 202 N C -1.519 174.086 175.510 0.159 0.000 1.078 202 N CA 1.117 54.271 53.050 0.173 0.000 0.804 202 N CB -0.914 37.642 38.487 0.115 0.000 1.135 202 N HN 0.588 nan 8.380 nan 0.000 0.565 203 A N -0.835 122.031 122.820 0.076 0.000 2.422 203 A HA 0.900 5.220 4.320 -0.000 0.000 0.302 203 A C -0.600 176.941 177.584 -0.071 0.000 1.041 203 A CA 0.058 52.019 52.037 -0.127 0.000 0.708 203 A CB 1.801 20.740 19.000 -0.103 0.000 1.257 203 A HN 0.821 nan 8.150 nan 0.000 0.414 204 A N 2.209 124.900 122.820 -0.214 0.000 2.343 204 A HA 0.655 4.975 4.320 -0.000 0.000 0.316 204 A C -0.183 177.354 177.584 -0.079 0.000 1.104 204 A CA -0.720 51.296 52.037 -0.035 0.000 0.768 204 A CB 0.635 19.724 19.000 0.149 0.000 1.213 204 A HN 0.755 nan 8.150 nan 0.000 0.456 205 K N 1.065 121.448 120.400 -0.028 0.000 2.530 205 K HA 0.251 4.571 4.320 -0.000 0.000 0.280 205 K C -0.545 176.054 176.600 -0.000 0.000 1.004 205 K CA 0.601 56.871 56.287 -0.028 0.000 1.071 205 K CB 0.306 32.808 32.500 0.004 0.000 0.876 205 K HN 0.413 nan 8.250 nan 0.000 0.487 206 V N 1.427 121.338 119.914 -0.005 0.000 3.206 206 V HA 0.336 4.456 4.120 -0.000 0.000 0.305 206 V C -0.744 175.496 176.094 0.243 0.000 1.257 206 V CA -0.747 61.611 62.300 0.096 0.000 1.057 206 V CB 2.780 34.653 31.823 0.083 0.000 1.075 206 V HN 0.874 nan 8.190 nan 0.000 0.443 207 S N 1.118 117.023 115.700 0.341 0.000 2.697 207 S HA 0.897 5.367 4.470 -0.000 0.000 0.289 207 S C -1.561 173.204 174.600 0.276 0.000 1.149 207 S CA -0.543 57.877 58.200 0.367 0.000 0.850 207 S CB 2.185 65.506 63.200 0.202 0.000 1.151 207 S HN 0.628 nan 8.310 nan 0.000 0.491 208 L N 1.700 122.979 121.223 0.093 0.000 2.455 208 L HA 0.643 4.983 4.340 -0.000 0.000 0.264 208 L C -1.296 175.554 176.870 -0.034 0.000 0.968 208 L CA -0.240 54.519 54.840 -0.135 0.000 0.827 208 L CB 1.810 43.380 42.059 -0.815 0.000 1.317 208 L HN 0.651 nan 8.230 nan 0.000 0.407 209 K N 5.026 125.427 120.400 0.000 0.000 2.376 209 K HA 0.617 4.937 4.320 -0.000 0.000 0.257 209 K C -1.116 175.515 176.600 0.051 0.000 0.939 209 K CA -0.632 55.683 56.287 0.045 0.000 0.809 209 K CB 1.065 33.605 32.500 0.065 0.000 1.121 209 K HN 0.666 nan 8.250 nan 0.000 0.425 210 L N 2.688 123.936 121.223 0.041 0.000 2.479 210 L HA 0.144 4.484 4.340 -0.000 0.000 0.248 210 L C 1.682 178.601 176.870 0.080 0.000 1.205 210 L CA -0.028 54.836 54.840 0.041 0.000 0.817 210 L CB 0.562 42.643 42.059 0.037 0.000 1.162 210 L HN 0.860 nan 8.230 nan 0.000 0.486 211 E N 0.633 120.887 120.200 0.089 0.000 2.333 211 E HA -0.211 4.139 4.350 -0.000 0.000 0.198 211 E C 0.228 176.867 176.600 0.066 0.000 1.007 211 E CA 1.215 57.681 56.400 0.109 0.000 0.845 211 E CB 0.167 29.946 29.700 0.132 0.000 0.766 211 E HN 0.737 nan 8.360 nan 0.000 0.507 212 D N -1.605 118.825 120.400 0.050 0.000 2.615 212 D HA 0.160 4.800 4.640 -0.000 0.000 0.236 212 D C 1.050 177.364 176.300 0.024 0.000 1.233 212 D CA 0.351 54.370 54.000 0.030 0.000 0.829 212 D CB 0.234 41.050 40.800 0.027 0.000 1.024 212 D HN 0.206 nan 8.370 nan 0.000 0.490 213 G N 0.457 109.273 108.800 0.026 0.000 2.302 213 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.263 213 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.263 213 G C 0.697 175.609 174.900 0.020 0.000 0.995 213 G CA 0.760 45.868 45.100 0.013 0.000 0.622 213 G HN 0.918 nan 8.290 nan 0.000 0.538 214 S N -0.521 115.195 115.700 0.027 0.000 2.587 214 S HA 0.481 4.951 4.470 -0.000 0.000 0.260 214 S C 0.039 174.664 174.600 0.042 0.000 1.353 214 S CA 0.784 59.002 58.200 0.030 0.000 0.995 214 S CB 1.587 64.807 63.200 0.033 0.000 0.912 214 S HN 1.123 nan 8.310 nan 0.000 0.568 215 Q N 0.421 120.246 119.800 0.042 0.000 2.357 215 Q HA 0.331 4.671 4.340 -0.000 0.000 0.266 215 Q C -1.621 174.422 176.000 0.072 0.000 1.021 215 Q CA -0.713 55.124 55.803 0.056 0.000 0.784 215 Q CB 0.704 29.464 28.738 0.036 0.000 1.243 215 Q HN 0.682 nan 8.270 nan 0.000 0.465 216 Y N 6.715 126.988 120.300 -0.045 0.000 2.729 216 Y HA 0.071 4.621 4.550 -0.000 0.000 0.331 216 Y C -1.529 174.366 175.900 -0.009 0.000 1.208 216 Y CA -1.174 56.893 58.100 -0.055 0.000 1.521 216 Y CB 0.805 39.176 38.460 -0.148 0.000 1.233 216 Y HN 0.704 nan 8.280 nan 0.000 0.539 217 P HA -0.143 nan 4.420 nan 0.000 0.225 217 P C 1.082 178.256 177.300 -0.210 0.000 1.148 217 P CA 1.388 64.327 63.100 -0.269 0.000 0.779 217 P CB 0.305 31.825 31.700 -0.301 0.000 0.780 218 L N -1.223 119.826 121.223 -0.290 0.000 2.269 218 L HA 0.149 4.489 4.340 -0.000 0.000 0.200 218 L C 0.712 177.742 176.870 0.267 0.000 1.069 218 L CA 0.071 54.919 54.840 0.014 0.000 0.804 218 L CB -0.356 41.715 42.059 0.020 0.000 0.987 218 L HN 0.037 nan 8.230 nan 0.000 0.468 219 E N -0.122 120.416 120.200 0.562 0.000 7.553 219 E HA -0.111 4.238 4.350 -0.000 0.000 0.426 219 E C -0.866 175.781 176.600 0.078 0.000 0.455 219 E CA 0.226 56.891 56.400 0.442 0.000 0.852 219 E CB -0.843 28.972 29.700 0.190 0.000 0.955 219 E HN 0.250 nan 8.360 nan 0.000 0.262 220 G N 3.611 112.103 108.800 -0.514 0.000 3.217 220 G HA2 0.795 4.755 3.960 -0.000 0.000 0.213 220 G HA3 0.795 4.755 3.960 -0.000 0.000 0.213 220 G C -0.949 173.623 174.900 -0.546 0.000 1.294 220 G CA -0.815 43.703 45.100 -0.970 0.000 0.987 220 G HN 0.532 nan 8.290 nan 0.000 0.584 221 R N -0.960 119.234 120.500 -0.510 0.000 2.599 221 R HA 0.541 4.881 4.340 -0.000 0.000 0.295 221 R C -1.544 174.570 176.300 -0.310 0.000 0.963 221 R CA -0.744 55.170 56.100 -0.310 0.000 0.883 221 R CB 2.306 32.480 30.300 -0.211 0.000 1.171 221 R HN 0.279 nan 8.270 nan 0.000 0.450 222 L N 2.361 123.395 121.223 -0.315 0.000 2.259 222 L HA 0.261 4.600 4.340 -0.000 0.000 0.288 222 L C -0.443 176.057 176.870 -0.615 0.000 1.051 222 L CA -0.024 54.581 54.840 -0.392 0.000 0.824 222 L CB 0.862 42.681 42.059 -0.400 0.000 1.206 222 L HN 0.473 nan 8.230 nan 0.000 0.429 223 E N 4.519 124.485 120.200 -0.391 0.000 2.194 223 E HA 0.098 4.448 4.350 -0.000 0.000 0.284 223 E C 0.156 176.578 176.600 -0.298 0.000 1.035 223 E CA 0.131 56.344 56.400 -0.310 0.000 0.836 223 E CB 0.727 30.363 29.700 -0.108 0.000 1.070 223 E HN 0.569 nan 8.360 nan 0.000 0.401 224 F N 0.669 120.619 119.950 -0.000 0.000 2.797 224 F HA -0.013 4.514 4.527 -0.000 0.000 0.302 224 F C 1.655 177.449 175.800 -0.009 0.000 1.130 224 F CA -0.187 57.811 58.000 -0.004 0.000 1.387 224 F CB 0.527 39.526 39.000 -0.001 0.000 1.107 224 F HN 0.176 nan 8.300 nan 0.000 0.577 225 S N 1.825 117.591 115.700 0.110 0.000 2.457 225 S HA 0.040 4.510 4.470 -0.000 0.000 0.294 225 S C 0.100 174.717 174.600 0.029 0.000 1.201 225 S CA -0.768 57.466 58.200 0.058 0.000 1.112 225 S CB -0.334 62.881 63.200 0.026 0.000 1.018 225 S HN 0.208 nan 8.310 nan 0.000 0.511 226 E N 3.316 123.538 120.200 0.038 0.000 2.568 226 E HA 0.039 4.389 4.350 -0.000 0.000 0.262 226 E C 0.862 177.448 176.600 -0.023 0.000 0.961 226 E CA 0.088 56.495 56.400 0.013 0.000 0.945 226 E CB 0.399 30.109 29.700 0.017 0.000 0.924 226 E HN 0.432 nan 8.360 nan 0.000 0.467 227 V N 0.532 120.419 119.914 -0.045 0.000 3.219 227 V HA 0.123 4.242 4.120 -0.000 0.000 0.240 227 V C 0.222 176.278 176.094 -0.064 0.000 1.222 227 V CA 0.753 63.007 62.300 -0.077 0.000 1.181 227 V CB 0.288 32.029 31.823 -0.136 0.000 0.941 227 V HN 0.701 nan 8.190 nan 0.000 0.471 228 S N -0.273 115.397 115.700 -0.050 0.000 2.537 228 S HA 0.736 5.206 4.470 -0.000 0.000 0.270 228 S C -1.265 173.320 174.600 -0.025 0.000 1.142 228 S CA -0.598 57.579 58.200 -0.038 0.000 0.870 228 S CB 2.253 65.426 63.200 -0.044 0.000 1.112 228 S HN 0.064 nan 8.310 nan 0.000 0.466 229 V N 1.723 121.625 119.914 -0.018 0.000 2.417 229 V HA 0.468 4.588 4.120 -0.000 0.000 0.291 229 V C 0.068 176.155 176.094 -0.012 0.000 1.024 229 V CA -0.687 61.606 62.300 -0.012 0.000 0.861 229 V CB 1.121 32.939 31.823 -0.008 0.000 0.985 229 V HN 1.042 nan 8.190 nan 0.000 0.436 230 D N 2.671 123.066 120.400 -0.009 0.000 2.423 230 D HA 0.023 4.663 4.640 -0.000 0.000 0.238 230 D C 1.084 177.380 176.300 -0.007 0.000 1.142 230 D CA 0.371 54.366 54.000 -0.008 0.000 0.884 230 D CB 1.047 41.843 40.800 -0.006 0.000 1.199 230 D HN 0.749 nan 8.370 nan 0.000 0.438 231 E N 2.056 122.252 120.200 -0.007 0.000 2.004 231 E HA -0.095 4.254 4.350 -0.000 0.000 0.192 231 E C 1.776 178.374 176.600 -0.004 0.000 0.987 231 E CA 1.009 57.405 56.400 -0.006 0.000 0.822 231 E CB -0.401 29.295 29.700 -0.006 0.000 0.779 231 E HN 0.660 nan 8.360 nan 0.000 0.458 232 G N 0.773 109.571 108.800 -0.003 0.000 2.666 232 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.215 232 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.215 232 G C 0.819 175.718 174.900 -0.001 0.000 1.294 232 G CA 1.590 46.689 45.100 -0.001 0.000 0.811 232 G HN 0.506 nan 8.290 nan 0.000 0.594 233 T N -1.103 113.451 114.554 0.000 0.000 2.930 233 T HA 0.418 4.768 4.350 -0.000 0.000 0.306 233 T C 1.358 176.058 174.700 0.000 0.000 1.045 233 T CA 0.201 62.301 62.100 0.001 0.000 1.134 233 T CB 1.638 70.508 68.868 0.003 0.000 0.961 233 T HN 0.373 nan 8.240 nan 0.000 0.545 234 G N 1.970 110.770 108.800 0.000 0.000 2.990 234 G HA2 0.174 4.133 3.960 -0.000 0.000 0.206 234 G HA3 0.174 4.133 3.960 -0.000 0.000 0.206 234 G C 0.669 175.569 174.900 0.000 0.000 1.169 234 G CA -0.082 45.018 45.100 -0.001 0.000 0.819 234 G HN 1.084 nan 8.290 nan 0.000 0.517 235 S N -0.395 115.306 115.700 0.002 0.000 2.560 235 S HA 0.388 4.858 4.470 -0.000 0.000 0.284 235 S C -0.125 174.477 174.600 0.003 0.000 1.327 235 S CA -0.590 57.613 58.200 0.004 0.000 1.055 235 S CB 1.929 65.133 63.200 0.006 0.000 0.868 235 S HN 0.057 nan 8.310 nan 0.000 0.506 236 V N 2.795 122.713 119.914 0.007 0.000 2.459 236 V HA 0.402 4.522 4.120 -0.000 0.000 0.295 236 V C 0.350 176.448 176.094 0.006 0.000 1.029 236 V CA -0.763 61.541 62.300 0.007 0.000 0.874 236 V CB 1.597 33.430 31.823 0.016 0.000 0.985 236 V HN 1.019 nan 8.190 nan 0.000 0.438 237 T N 6.796 121.345 114.554 -0.009 0.000 2.743 237 T HA 0.628 4.978 4.350 -0.000 0.000 0.293 237 T C -0.040 174.644 174.700 -0.027 0.000 0.945 237 T CA 0.031 62.118 62.100 -0.022 0.000 1.030 237 T CB 0.250 69.092 68.868 -0.044 0.000 0.912 237 T HN 0.632 nan 8.240 nan 0.000 0.483 238 I N 0.824 121.384 120.570 -0.017 0.000 3.067 238 I HA 0.820 4.990 4.170 -0.000 0.000 0.312 238 I C -0.535 175.541 176.117 -0.068 0.000 1.073 238 I CA -1.710 59.572 61.300 -0.031 0.000 1.016 238 I CB 2.119 40.139 38.000 0.032 0.000 1.227 238 I HN 0.480 nan 8.210 nan 0.000 0.456 239 R N 2.425 122.862 120.500 -0.104 0.000 2.686 239 R HA 0.867 5.207 4.340 -0.000 0.000 0.286 239 R C -1.168 175.123 176.300 -0.015 0.000 0.969 239 R CA -0.857 55.189 56.100 -0.091 0.000 0.898 239 R CB 1.858 31.967 30.300 -0.319 0.000 1.183 239 R HN 0.818 nan 8.270 nan 0.000 0.456 240 A N 2.121 124.983 122.820 0.071 0.000 2.303 240 A HA 0.604 4.924 4.320 -0.000 0.000 0.317 240 A C -0.398 177.296 177.584 0.184 0.000 1.149 240 A CA -0.791 51.275 52.037 0.048 0.000 0.822 240 A CB 1.402 20.449 19.000 0.078 0.000 1.131 240 A HN 0.448 nan 8.150 nan 0.000 0.493 241 V N 1.900 121.807 119.914 -0.012 0.000 2.384 241 V HA 0.466 4.585 4.120 -0.000 0.000 0.287 241 V C -1.039 174.856 176.094 -0.332 0.000 1.020 241 V CA -0.159 62.126 62.300 -0.025 0.000 0.850 241 V CB 0.580 32.390 31.823 -0.023 0.000 0.987 241 V HN 0.688 nan 8.190 nan 0.000 0.436 242 F N 5.211 125.115 119.950 -0.077 0.000 2.469 242 F HA 0.600 5.127 4.527 -0.000 0.000 0.332 242 F C -2.113 173.635 175.800 -0.086 0.000 1.103 242 F CA -2.608 55.354 58.000 -0.064 0.000 0.979 242 F CB 1.893 40.820 39.000 -0.122 0.000 1.137 242 F HN 0.311 nan 8.300 nan 0.000 0.463 243 P HA 0.037 nan 4.420 nan 0.000 0.267 243 P C -0.537 176.877 177.300 0.189 0.000 1.200 243 P CA 0.206 63.355 63.100 0.081 0.000 0.772 243 P CB 0.463 32.216 31.700 0.088 0.000 0.855 244 N N 2.095 120.848 118.700 0.088 0.000 2.636 244 N HA 0.163 4.903 4.740 -0.000 0.000 0.287 244 N C -2.002 173.541 175.510 0.055 0.000 1.817 244 N CA -1.598 51.523 53.050 0.119 0.000 0.842 244 N CB 0.188 38.698 38.487 0.037 0.000 1.353 244 N HN 0.136 nan 8.380 nan 0.000 0.500 245 P HA -0.001 nan 4.420 nan 0.000 0.229 245 P C -0.465 176.841 177.300 0.009 0.000 1.160 245 P CA 0.721 63.825 63.100 0.006 0.000 0.777 245 P CB 0.385 32.082 31.700 -0.005 0.000 0.814 246 N N 0.314 119.028 118.700 0.024 0.000 2.459 246 N HA 0.128 4.868 4.740 -0.000 0.000 0.288 246 N C 0.051 175.582 175.510 0.035 0.000 1.186 246 N CA -0.504 52.558 53.050 0.019 0.000 0.917 246 N CB 0.576 39.071 38.487 0.012 0.000 1.219 246 N HN -0.081 nan 8.380 nan 0.000 0.525 247 N N 1.076 119.793 118.700 0.028 0.000 3.131 247 N HA 0.060 4.800 4.740 -0.000 0.000 0.312 247 N C 0.232 175.766 175.510 0.041 0.000 1.433 247 N CA 0.046 53.113 53.050 0.030 0.000 1.141 247 N CB 0.513 39.009 38.487 0.015 0.000 1.431 247 N HN 0.500 nan 8.380 nan 0.000 0.523 248 E N -0.045 120.200 120.200 0.076 0.000 2.046 248 E HA 0.019 4.369 4.350 -0.000 0.000 0.190 248 E C 0.265 176.901 176.600 0.059 0.000 0.982 248 E CA 0.685 57.139 56.400 0.090 0.000 0.800 248 E CB 0.317 30.121 29.700 0.173 0.000 0.756 248 E HN 0.381 nan 8.360 nan 0.000 0.449 249 L N 2.288 123.531 121.223 0.034 0.000 2.331 249 L HA 0.276 4.616 4.340 -0.000 0.000 0.278 249 L C -0.083 176.767 176.870 -0.034 0.000 1.106 249 L CA -0.222 54.587 54.840 -0.051 0.000 0.824 249 L CB 0.497 42.457 42.059 -0.165 0.000 1.142 249 L HN 0.046 nan 8.230 nan 0.000 0.443 250 L N 3.666 124.868 121.223 -0.035 0.000 2.319 250 L HA 0.578 4.918 4.340 -0.000 0.000 0.267 250 L C -2.283 174.563 176.870 -0.039 0.000 1.011 250 L CA -2.134 52.691 54.840 -0.025 0.000 0.818 250 L CB 2.194 44.247 42.059 -0.010 0.000 1.316 250 L HN 0.311 nan 8.230 nan 0.000 0.432 251 P HA 0.114 nan 4.420 nan 0.000 0.269 251 P C 0.313 177.570 177.300 -0.072 0.000 1.215 251 P CA 0.361 63.435 63.100 -0.042 0.000 0.780 251 P CB 0.571 32.258 31.700 -0.021 0.000 0.898 252 G N 0.902 109.627 108.800 -0.126 0.000 2.212 252 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.255 252 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.255 252 G C -0.124 174.617 174.900 -0.264 0.000 1.062 252 G CA -0.341 44.633 45.100 -0.209 0.000 0.815 252 G HN 0.403 nan 8.290 nan 0.000 0.497 253 M N -0.467 118.992 119.600 -0.235 0.000 2.363 253 M HA 0.642 5.122 4.480 -0.000 0.000 0.343 253 M C -0.129 176.015 176.300 -0.260 0.000 1.165 253 M CA -0.692 54.520 55.300 -0.147 0.000 1.046 253 M CB 1.014 33.569 32.600 -0.075 0.000 1.648 253 M HN 0.071 nan 8.290 nan 0.000 0.452 254 F N 2.729 122.653 119.950 -0.043 0.000 2.411 254 F HA 0.564 5.091 4.527 -0.000 0.000 0.350 254 F C 0.295 176.056 175.800 -0.065 0.000 1.114 254 F CA -0.688 57.276 58.000 -0.060 0.000 1.135 254 F CB 0.591 39.569 39.000 -0.036 0.000 1.120 254 F HN 0.317 nan 8.300 nan 0.000 0.495 255 V N -0.113 119.805 119.914 0.006 0.000 3.181 255 V HA 0.615 4.735 4.120 -0.000 0.000 0.307 255 V C -1.337 174.652 176.094 -0.175 0.000 1.310 255 V CA -0.862 61.426 62.300 -0.019 0.000 1.067 255 V CB 2.591 34.353 31.823 -0.102 0.000 1.081 255 V HN 0.709 nan 8.190 nan 0.000 0.453 256 H N 0.563 119.631 119.070 -0.003 0.000 2.609 256 H HA 0.772 5.328 4.556 -0.000 0.000 0.344 256 H C 0.102 175.440 175.328 0.015 0.000 1.040 256 H CA 0.173 56.233 56.048 0.020 0.000 1.216 256 H CB 2.108 31.888 29.762 0.031 0.000 1.529 256 H HN 1.190 nan 8.280 nan 0.000 0.519 257 A N 2.856 125.749 122.820 0.122 0.000 2.313 257 A HA 0.361 4.681 4.320 -0.000 0.000 0.261 257 A C -0.193 177.492 177.584 0.168 0.000 1.090 257 A CA -0.336 51.796 52.037 0.159 0.000 0.807 257 A CB 0.627 19.732 19.000 0.175 0.000 1.055 257 A HN 0.777 nan 8.150 nan 0.000 0.492 258 Q N -0.070 119.833 119.800 0.172 0.000 2.269 258 Q HA 0.587 4.926 4.340 -0.000 0.000 0.263 258 Q C -1.376 174.700 176.000 0.127 0.000 0.983 258 Q CA -0.096 55.789 55.803 0.137 0.000 0.777 258 Q CB 1.983 30.793 28.738 0.121 0.000 1.273 258 Q HN 0.688 nan 8.270 nan 0.000 0.440 259 L N 1.314 122.603 121.223 0.109 0.000 2.293 259 L HA 0.590 4.930 4.340 -0.000 0.000 0.264 259 L C -0.424 176.493 176.870 0.080 0.000 1.029 259 L CA -0.759 54.141 54.840 0.100 0.000 0.897 259 L CB 1.579 43.707 42.059 0.115 0.000 1.497 259 L HN 0.605 nan 8.230 nan 0.000 0.495 260 Q N 0.000 119.844 119.800 0.073 0.000 2.315 260 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 260 Q CA 0.000 55.837 55.803 0.056 0.000 1.022 260 Q CB 0.000 28.767 28.738 0.048 0.000 1.108 260 Q HN 0.000 nan 8.270 nan 0.000 0.481