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 1hr8_1_F DATA FIRST_RESID 20 DATA SEQUENCE ASQIPGTRTS KLPNGLTIAT EYIPNTSSAT VGIFVDAGSR AENVKNNGTA DATA SEQUENCE HFLQHLAFKG TQNRPQQGIE LEIENIGSHL NAYTSRENTV YYAKSLQEDI DATA SEQUENCE PKAVDILSDI LTKSVLDNSA IERERDVIIR ESEEVDKMYD EVVFDHLHEI DATA SEQUENCE TYKDQPLGRT ILGPIKNIKS ITRTDLKDYI TKNYKGDRMV LAGAGAVDHE DATA SEQUENCE KLVQYAQKYF GHVPKSESPV PLGSPRGPLP VFCRGERFIK ENTLPTTHIA DATA SEQUENCE IALEGVSWSA PDYFVALATQ AIVGNWDRAI GTGTNSPSPL AVAASQNGSL DATA SEQUENCE ANSYMSFSTS YADSGLWGMY IVTDSNEHNV RLIVNEILKE WKRIKSGKIS DATA SEQUENCE DAEVNRAKAQ LKAALLLSLD GSTAIVEDIG RQVVTTGKRL SPEEVFEQVD DATA SEQUENCE KITKDDIIMW ANYRLQNKPV SMVALGNTST VPNVSYIEEK LNQ 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.590 177.584 0.011 0.000 1.274 20 A CA 0.000 52.046 52.037 0.015 0.000 0.836 20 A CB 0.000 19.005 19.000 0.009 0.000 0.831 21 S N 0.725 116.432 115.700 0.012 0.000 5.461 21 S HA 0.438 4.907 4.470 -0.000 0.000 0.132 21 S C -0.393 174.209 174.600 0.004 0.000 1.056 21 S CA -0.065 58.139 58.200 0.007 0.000 1.361 21 S CB 0.375 63.579 63.200 0.007 0.000 2.077 21 S HN 0.829 nan 8.310 nan 0.000 0.692 22 Q N 0.779 120.584 119.800 0.008 0.000 2.353 22 Q HA 0.563 4.903 4.340 -0.000 0.000 0.268 22 Q C -1.108 174.899 176.000 0.011 0.000 1.045 22 Q CA -0.436 55.370 55.803 0.004 0.000 0.811 22 Q CB 2.284 31.023 28.738 0.001 0.000 1.305 22 Q HN 0.649 nan 8.270 nan 0.000 0.447 23 I N 4.115 124.685 120.570 0.000 0.000 2.662 23 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 23 I C -1.680 174.443 176.117 0.010 0.000 1.161 23 I CA -1.210 60.090 61.300 0.000 0.000 1.415 23 I CB 0.053 38.041 38.000 -0.018 0.000 1.385 23 I HN 0.220 nan 8.210 nan 0.000 0.552 24 P HA 0.035 nan 4.420 nan 0.000 0.264 24 P C 0.204 177.515 177.300 0.018 0.000 1.183 24 P CA 0.068 63.195 63.100 0.045 0.000 0.763 24 P CB 0.558 32.309 31.700 0.085 0.000 0.807 25 G N 1.258 110.064 108.800 0.009 0.000 2.795 25 G HA2 0.528 4.488 3.960 -0.000 0.000 0.267 25 G HA3 0.528 4.488 3.960 -0.000 0.000 0.267 25 G C -0.998 173.887 174.900 -0.025 0.000 1.362 25 G CA -0.513 44.580 45.100 -0.012 0.000 1.048 25 G HN 0.374 nan 8.290 nan 0.000 0.547 26 T N 1.710 116.235 114.554 -0.047 0.000 2.756 26 T HA 0.414 4.763 4.350 -0.000 0.000 0.290 26 T C -0.002 174.620 174.700 -0.131 0.000 0.985 26 T CA -0.514 61.542 62.100 -0.074 0.000 0.955 26 T CB 0.870 69.698 68.868 -0.066 0.000 0.930 26 T HN 0.278 nan 8.240 nan 0.000 0.451 27 R N 2.611 122.972 120.500 -0.232 0.000 2.390 27 R HA 0.545 4.885 4.340 -0.000 0.000 0.291 27 R C -0.174 175.844 176.300 -0.469 0.000 1.070 27 R CA -0.377 55.453 56.100 -0.449 0.000 1.014 27 R CB 0.657 30.457 30.300 -0.833 0.000 1.007 27 R HN 0.515 nan 8.270 nan 0.000 0.466 28 T N 0.529 114.927 114.554 -0.259 0.000 2.900 28 T HA 0.499 4.849 4.350 -0.000 0.000 0.295 28 T C -0.554 174.215 174.700 0.115 0.000 1.044 28 T CA -0.540 61.537 62.100 -0.037 0.000 0.995 28 T CB 2.022 70.872 68.868 -0.030 0.000 1.072 28 T HN 0.433 nan 8.240 nan 0.000 0.473 29 S N 1.310 117.117 115.700 0.177 0.000 2.550 29 S HA 0.582 5.052 4.470 -0.000 0.000 0.270 29 S C -1.234 173.401 174.600 0.057 0.000 1.145 29 S CA -0.899 57.378 58.200 0.128 0.000 0.852 29 S CB 2.206 65.491 63.200 0.142 0.000 1.119 29 S HN 0.579 nan 8.310 nan 0.000 0.465 30 K N 1.556 121.973 120.400 0.029 0.000 2.345 30 K HA 0.570 4.890 4.320 -0.000 0.000 0.255 30 K C -1.348 175.256 176.600 0.006 0.000 0.934 30 K CA -0.719 55.575 56.287 0.011 0.000 0.801 30 K CB 1.040 33.544 32.500 0.006 0.000 1.137 30 K HN 0.336 nan 8.250 nan 0.000 0.424 31 L N 5.481 126.706 121.223 0.003 0.000 2.418 31 L HA 0.258 4.598 4.340 -0.000 0.000 0.265 31 L C -1.308 175.566 176.870 0.007 0.000 1.143 31 L CA -1.689 53.155 54.840 0.008 0.000 0.809 31 L CB 0.658 42.728 42.059 0.018 0.000 1.124 31 L HN 0.615 nan 8.230 nan 0.000 0.456 32 P HA -0.187 nan 4.420 nan 0.000 0.217 32 P C 0.468 177.773 177.300 0.008 0.000 1.148 32 P CA 1.363 64.468 63.100 0.007 0.000 0.828 32 P CB -0.088 31.617 31.700 0.007 0.000 0.783 33 N N -0.918 117.789 118.700 0.012 0.000 2.449 33 N HA 0.053 4.792 4.740 -0.000 0.000 0.191 33 N C 1.367 176.879 175.510 0.004 0.000 1.161 33 N CA 0.902 53.958 53.050 0.010 0.000 0.863 33 N CB -0.849 37.647 38.487 0.014 0.000 0.980 33 N HN 0.286 nan 8.380 nan 0.000 0.458 34 G N -0.534 108.267 108.800 0.001 0.000 2.232 34 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.226 34 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.226 34 G C -0.209 174.682 174.900 -0.015 0.000 0.996 34 G CA 0.064 45.161 45.100 -0.005 0.000 0.626 34 G HN 0.480 nan 8.290 nan 0.000 0.509 35 L N 3.133 124.344 121.223 -0.020 0.000 2.499 35 L HA 0.568 4.907 4.340 -0.000 0.000 0.273 35 L C 0.531 177.378 176.870 -0.039 0.000 1.195 35 L CA 0.847 55.660 54.840 -0.045 0.000 0.882 35 L CB 0.629 42.652 42.059 -0.060 0.000 1.133 35 L HN 0.200 nan 8.230 nan 0.000 0.483 36 T N 6.237 120.760 114.554 -0.051 0.000 2.867 36 T HA 0.563 4.913 4.350 -0.000 0.000 0.282 36 T C -0.269 174.411 174.700 -0.033 0.000 1.000 36 T CA -0.369 61.711 62.100 -0.033 0.000 1.042 36 T CB 1.143 69.987 68.868 -0.041 0.000 0.973 36 T HN 0.328 nan 8.240 nan 0.000 0.465 37 I N 2.598 123.177 120.570 0.015 0.000 2.411 37 I HA 0.557 4.727 4.170 -0.000 0.000 0.284 37 I C 0.035 176.237 176.117 0.141 0.000 1.012 37 I CA -1.095 60.237 61.300 0.053 0.000 1.119 37 I CB 0.498 38.522 38.000 0.040 0.000 1.261 37 I HN 0.699 nan 8.210 nan 0.000 0.448 38 A N 4.524 127.383 122.820 0.064 0.000 2.331 38 A HA 0.880 5.200 4.320 -0.000 0.000 0.320 38 A C -0.209 177.403 177.584 0.046 0.000 1.138 38 A CA -0.440 51.612 52.037 0.025 0.000 0.790 38 A CB 1.406 20.366 19.000 -0.066 0.000 1.206 38 A HN 0.603 nan 8.150 nan 0.000 0.470 39 T N 1.248 115.815 114.554 0.021 0.000 2.933 39 T HA 0.497 4.847 4.350 -0.000 0.000 0.305 39 T C -1.332 173.375 174.700 0.011 0.000 1.092 39 T CA -0.373 61.764 62.100 0.062 0.000 1.008 39 T CB 1.486 70.497 68.868 0.237 0.000 1.102 39 T HN 0.708 nan 8.240 nan 0.000 0.469 40 E N 2.394 122.622 120.200 0.046 0.000 2.244 40 E HA 0.306 4.656 4.350 -0.000 0.000 0.260 40 E C -1.556 175.104 176.600 0.100 0.000 0.884 40 E CA -0.663 55.767 56.400 0.050 0.000 0.777 40 E CB 1.230 30.937 29.700 0.011 0.000 1.197 40 E HN 0.634 nan 8.360 nan 0.000 0.416 41 Y N 5.521 125.826 120.300 0.009 0.000 2.346 41 Y HA 0.288 4.838 4.550 -0.000 0.000 0.330 41 Y C -0.621 175.288 175.900 0.014 0.000 1.178 41 Y CA -0.193 57.919 58.100 0.021 0.000 1.331 41 Y CB 0.587 39.061 38.460 0.023 0.000 1.253 41 Y HN 0.376 nan 8.280 nan 0.000 0.529 42 I N 8.329 128.439 120.570 -0.767 0.000 2.411 42 I HA 0.283 4.453 4.170 -0.000 0.000 0.284 42 I C -2.555 173.023 176.117 -0.900 0.000 1.012 42 I CA -2.170 58.784 61.300 -0.578 0.000 1.119 42 I CB 1.397 39.220 38.000 -0.294 0.000 1.261 42 I HN 0.500 nan 8.210 nan 0.000 0.448 43 P HA 0.107 nan 4.420 nan 0.000 0.269 43 P C -0.194 177.009 177.300 -0.160 0.000 1.215 43 P CA 0.140 63.076 63.100 -0.274 0.000 0.780 43 P CB 0.251 31.958 31.700 0.012 0.000 0.898 44 N N -1.410 117.260 118.700 -0.050 0.000 2.727 44 N HA -0.123 4.617 4.740 -0.000 0.000 0.251 44 N C -0.649 174.832 175.510 -0.049 0.000 1.040 44 N CA 0.586 53.622 53.050 -0.024 0.000 0.712 44 N CB -1.276 37.202 38.487 -0.016 0.000 0.912 44 N HN 0.633 nan 8.380 nan 0.000 0.545 45 T N -4.403 110.112 114.554 -0.064 0.000 2.896 45 T HA 0.641 4.991 4.350 -0.000 0.000 0.297 45 T C 0.294 174.989 174.700 -0.007 0.000 1.108 45 T CA -0.693 61.376 62.100 -0.051 0.000 1.004 45 T CB 2.279 71.087 68.868 -0.100 0.000 1.159 45 T HN -0.080 nan 8.240 nan 0.000 0.499 46 S N 0.512 116.216 115.700 0.007 0.000 2.900 46 S HA 0.442 4.912 4.470 -0.000 0.000 0.253 46 S C 0.147 174.765 174.600 0.030 0.000 1.029 46 S CA -0.305 57.912 58.200 0.028 0.000 1.096 46 S CB 0.076 63.292 63.200 0.027 0.000 1.067 46 S HN 1.109 nan 8.310 nan 0.000 0.610 47 S N 0.630 116.344 115.700 0.024 0.000 2.651 47 S HA 0.990 5.460 4.470 -0.000 0.000 0.279 47 S C -0.674 173.947 174.600 0.035 0.000 1.148 47 S CA -0.565 57.657 58.200 0.036 0.000 0.837 47 S CB 2.014 65.239 63.200 0.041 0.000 1.138 47 S HN 0.484 nan 8.310 nan 0.000 0.478 48 A N 0.291 123.143 122.820 0.053 0.000 2.536 48 A HA 0.881 5.201 4.320 -0.000 0.000 0.293 48 A C -1.018 176.618 177.584 0.086 0.000 1.119 48 A CA -0.813 51.259 52.037 0.059 0.000 0.654 48 A CB 1.078 20.117 19.000 0.065 0.000 1.291 48 A HN 0.941 nan 8.150 nan 0.000 0.439 49 T N 0.410 115.022 114.554 0.096 0.000 2.886 49 T HA 0.630 4.979 4.350 -0.000 0.000 0.292 49 T C -1.190 173.598 174.700 0.146 0.000 1.012 49 T CA -0.335 61.847 62.100 0.137 0.000 0.982 49 T CB 1.418 70.362 68.868 0.127 0.000 1.018 49 T HN 0.921 nan 8.240 nan 0.000 0.451 50 V N 1.715 121.736 119.914 0.179 0.000 2.709 50 V HA 0.932 5.052 4.120 -0.000 0.000 0.308 50 V C 0.232 176.469 176.094 0.239 0.000 1.062 50 V CA -0.698 61.709 62.300 0.179 0.000 0.901 50 V CB 2.048 33.953 31.823 0.136 0.000 1.003 50 V HN 1.092 nan 8.190 nan 0.000 0.425 51 G N 2.812 111.776 108.800 0.273 0.000 2.682 51 G HA2 0.673 4.633 3.960 -0.000 0.000 0.300 51 G HA3 0.673 4.633 3.960 -0.000 0.000 0.300 51 G C -1.963 173.109 174.900 0.285 0.000 1.391 51 G CA -0.651 44.624 45.100 0.291 0.000 0.990 51 G HN 0.561 nan 8.290 nan 0.000 0.501 52 I N 1.094 121.728 120.570 0.108 0.000 2.321 52 I HA 0.706 4.875 4.170 -0.000 0.000 0.291 52 I C -1.466 174.632 176.117 -0.030 0.000 0.998 52 I CA -1.871 59.459 61.300 0.051 0.000 1.227 52 I CB 0.516 38.498 38.000 -0.031 0.000 1.368 52 I HN 0.215 nan 8.210 nan 0.000 0.466 53 F N 6.738 126.626 119.950 -0.103 0.000 2.426 53 F HA 0.571 5.098 4.527 -0.000 0.000 0.348 53 F C -0.179 175.555 175.800 -0.111 0.000 1.124 53 F CA -0.805 57.137 58.000 -0.097 0.000 1.008 53 F CB 1.638 40.583 39.000 -0.091 0.000 1.139 53 F HN 0.046 nan 8.300 nan 0.000 0.452 54 V N 2.164 122.089 119.914 0.019 0.000 2.409 54 V HA 0.184 4.304 4.120 -0.000 0.000 0.291 54 V C -0.451 175.665 176.094 0.035 0.000 1.020 54 V CA -0.982 61.300 62.300 -0.030 0.000 0.848 54 V CB 1.714 33.432 31.823 -0.174 0.000 0.990 54 V HN 0.622 nan 8.190 nan 0.000 0.430 55 D N 4.229 124.654 120.400 0.041 0.000 2.482 55 D HA 0.439 5.079 4.640 -0.000 0.000 0.244 55 D C 0.419 176.765 176.300 0.077 0.000 1.242 55 D CA 0.829 54.867 54.000 0.063 0.000 1.097 55 D CB 0.602 41.428 40.800 0.044 0.000 1.109 55 D HN 0.663 nan 8.370 nan 0.000 0.510 56 A N 2.344 125.238 122.820 0.123 0.000 2.017 56 A HA 0.790 5.110 4.320 -0.000 0.000 0.194 56 A C 1.222 178.945 177.584 0.231 0.000 1.985 56 A CA 0.363 52.509 52.037 0.182 0.000 1.584 56 A CB -0.426 18.765 19.000 0.317 0.000 1.244 56 A HN 1.019 nan 8.150 nan 0.000 0.587 57 G N -0.692 108.287 108.800 0.298 0.000 2.907 57 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.242 57 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.242 57 G C 0.897 175.947 174.900 0.250 0.000 1.448 57 G CA 0.859 46.103 45.100 0.241 0.000 0.911 57 G HN 1.952 nan 8.290 nan 0.000 0.553 58 S N -0.460 115.339 115.700 0.165 0.000 2.440 58 S HA -0.194 4.276 4.470 -0.000 0.000 0.238 58 S C 2.061 176.724 174.600 0.105 0.000 1.010 58 S CA 1.733 60.012 58.200 0.132 0.000 0.972 58 S CB -0.241 63.001 63.200 0.070 0.000 0.774 58 S HN 1.328 nan 8.310 nan 0.000 0.501 59 R N 0.941 121.484 120.500 0.072 0.000 2.339 59 R HA 0.356 4.696 4.340 -0.000 0.000 0.199 59 R C 1.620 177.949 176.300 0.049 0.000 1.018 59 R CA 0.778 56.890 56.100 0.019 0.000 1.036 59 R CB -0.394 29.880 30.300 -0.043 0.000 0.899 59 R HN 0.428 nan 8.270 nan 0.000 0.473 60 A N 0.632 123.519 122.820 0.112 0.000 2.303 60 A HA 0.146 4.466 4.320 -0.000 0.000 0.217 60 A C 0.010 177.670 177.584 0.127 0.000 1.205 60 A CA -0.323 51.764 52.037 0.084 0.000 0.875 60 A CB 0.134 19.160 19.000 0.043 0.000 0.910 60 A HN 0.453 nan 8.150 nan 0.000 0.501 61 E N 0.382 120.698 120.200 0.193 0.000 2.330 61 E HA 0.412 4.762 4.350 -0.000 0.000 0.256 61 E C -0.573 176.086 176.600 0.100 0.000 1.146 61 E CA -0.652 55.864 56.400 0.193 0.000 0.945 61 E CB 0.433 30.249 29.700 0.194 0.000 1.182 61 E HN 0.600 nan 8.360 nan 0.000 0.480 62 N N -2.073 116.677 118.700 0.083 0.000 3.091 62 N HA 0.185 4.925 4.740 -0.000 0.000 0.329 62 N C 0.349 175.886 175.510 0.045 0.000 1.430 62 N CA -0.741 52.340 53.050 0.052 0.000 0.755 62 N CB 0.269 38.782 38.487 0.042 0.000 1.626 62 N HN 0.156 nan 8.380 nan 0.000 0.614 63 V N -0.371 119.563 119.914 0.034 0.000 2.332 63 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 63 V C 1.655 177.765 176.094 0.026 0.000 1.055 63 V CA 1.577 63.894 62.300 0.028 0.000 1.038 63 V CB -0.686 31.151 31.823 0.023 0.000 0.651 63 V HN 0.613 nan 8.190 nan 0.000 0.450 64 K N -0.157 120.258 120.400 0.025 0.000 2.400 64 K HA 0.076 4.396 4.320 -0.000 0.000 0.194 64 K C 1.736 178.348 176.600 0.020 0.000 1.033 64 K CA 0.367 56.666 56.287 0.019 0.000 1.021 64 K CB -0.331 32.177 32.500 0.013 0.000 0.808 64 K HN 0.385 nan 8.250 nan 0.000 0.505 65 N N 1.677 120.397 118.700 0.035 0.000 2.368 65 N HA -0.084 4.656 4.740 -0.000 0.000 0.176 65 N C 0.128 175.667 175.510 0.049 0.000 1.021 65 N CA 0.099 53.178 53.050 0.048 0.000 0.888 65 N CB -0.163 38.375 38.487 0.084 0.000 0.995 65 N HN 0.199 nan 8.380 nan 0.000 0.437 66 N N -0.271 118.460 118.700 0.052 0.000 2.047 66 N HA -0.101 4.639 4.740 -0.000 0.000 0.292 66 N C 0.549 176.091 175.510 0.053 0.000 1.356 66 N CA 0.906 53.987 53.050 0.051 0.000 0.836 66 N CB -0.115 38.395 38.487 0.038 0.000 1.113 66 N HN 0.499 nan 8.380 nan 0.000 0.495 67 G N 1.791 110.628 108.800 0.062 0.000 2.231 67 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.206 67 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.206 67 G C 0.956 175.930 174.900 0.123 0.000 0.996 67 G CA 0.293 45.456 45.100 0.105 0.000 0.645 67 G HN 0.580 nan 8.290 nan 0.000 0.498 68 T N 1.549 116.103 114.554 0.001 0.000 2.622 68 T HA 0.071 4.421 4.350 -0.000 0.000 0.266 68 T C 2.805 177.368 174.700 -0.228 0.000 1.047 68 T CA 2.880 64.907 62.100 -0.122 0.000 1.159 68 T CB -0.640 68.087 68.868 -0.235 0.000 0.863 68 T HN 1.283 nan 8.240 nan 0.000 0.422 69 A N 1.465 123.982 122.820 -0.505 0.000 1.927 69 A HA -0.287 4.033 4.320 -0.000 0.000 0.220 69 A C 2.157 179.752 177.584 0.019 0.000 1.185 69 A CA 2.317 54.122 52.037 -0.387 0.000 0.639 69 A CB -1.101 17.810 19.000 -0.149 0.000 0.820 69 A HN 0.779 nan 8.150 nan 0.000 0.451 70 H N -2.502 116.581 119.070 0.022 0.000 2.363 70 H HA -0.123 4.433 4.556 -0.000 0.000 0.301 70 H C 1.991 177.428 175.328 0.182 0.000 1.074 70 H CA 1.730 57.839 56.048 0.102 0.000 1.354 70 H CB -0.298 29.511 29.762 0.078 0.000 1.397 70 H HN 0.435 nan 8.280 nan 0.000 0.516 71 F N 1.488 121.385 119.950 -0.088 0.000 2.126 71 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 71 F C 2.622 178.392 175.800 -0.049 0.000 1.096 71 F CA 1.109 59.033 58.000 -0.126 0.000 1.255 71 F CB -0.625 38.330 39.000 -0.074 0.000 0.997 71 F HN 0.104 nan 8.300 nan 0.000 0.479 72 L N -0.273 121.091 121.223 0.236 0.000 1.989 72 L HA -0.306 4.034 4.340 -0.000 0.000 0.211 72 L C 2.644 179.665 176.870 0.251 0.000 1.071 72 L CA 1.979 56.942 54.840 0.206 0.000 0.749 72 L CB -0.853 41.286 42.059 0.134 0.000 0.890 72 L HN 0.253 nan 8.230 nan 0.000 0.431 73 Q N -0.674 119.261 119.800 0.226 0.000 2.133 73 Q HA -0.289 4.051 4.340 -0.000 0.000 0.208 73 Q C 2.177 178.317 176.000 0.234 0.000 0.991 73 Q CA 1.903 57.853 55.803 0.245 0.000 0.867 73 Q CB -0.168 28.586 28.738 0.025 0.000 0.911 73 Q HN 0.594 nan 8.270 nan 0.000 0.417 74 H N -0.514 118.545 119.070 -0.018 0.000 2.293 74 H HA -0.132 4.423 4.556 -0.000 0.000 0.300 74 H C 2.154 177.559 175.328 0.128 0.000 1.082 74 H CA 1.491 57.516 56.048 -0.038 0.000 1.308 74 H CB 0.165 29.751 29.762 -0.293 0.000 1.375 74 H HN 0.248 nan 8.280 nan 0.000 0.495 75 L N 0.784 122.162 121.223 0.258 0.000 2.131 75 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 75 L C 2.755 179.736 176.870 0.184 0.000 1.092 75 L CA 1.309 56.280 54.840 0.218 0.000 0.759 75 L CB -1.147 41.047 42.059 0.225 0.000 0.903 75 L HN 0.190 nan 8.230 nan 0.000 0.435 76 A N -1.334 121.602 122.820 0.192 0.000 2.084 76 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 76 A C 1.892 179.410 177.584 -0.109 0.000 1.161 76 A CA 1.585 53.634 52.037 0.020 0.000 0.653 76 A CB -0.873 18.127 19.000 -0.001 0.000 0.802 76 A HN 0.392 nan 8.150 nan 0.000 0.457 77 F N -0.793 119.182 119.950 0.041 0.000 2.765 77 F HA 0.154 4.681 4.527 -0.000 0.000 0.302 77 F C 1.620 177.423 175.800 0.005 0.000 1.111 77 F CA 0.428 58.434 58.000 0.011 0.000 1.359 77 F CB 0.485 39.479 39.000 -0.010 0.000 1.097 77 F HN -0.021 nan 8.300 nan 0.000 0.577 78 K N 0.413 120.910 120.400 0.161 0.000 2.426 78 K HA 0.388 4.707 4.320 -0.000 0.000 0.193 78 K C 0.750 177.383 176.600 0.055 0.000 1.028 78 K CA 0.533 56.883 56.287 0.104 0.000 1.047 78 K CB -0.037 32.524 32.500 0.101 0.000 0.821 78 K HN 0.235 nan 8.250 nan 0.000 0.513 79 G N 0.850 109.666 108.800 0.026 0.000 2.351 79 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.472 79 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.472 79 G C -0.584 174.303 174.900 -0.021 0.000 1.570 79 G CA -0.503 44.597 45.100 -0.000 0.000 0.921 79 G HN 0.064 nan 8.290 nan 0.000 0.674 80 T N -1.511 113.021 114.554 -0.037 0.000 2.910 80 T HA 0.609 4.959 4.350 -0.000 0.000 0.287 80 T C 1.157 175.835 174.700 -0.037 0.000 1.050 80 T CA -0.200 61.872 62.100 -0.046 0.000 1.011 80 T CB 1.878 70.702 68.868 -0.074 0.000 1.195 80 T HN 0.585 nan 8.240 nan 0.000 0.540 81 Q N 0.148 119.925 119.800 -0.039 0.000 2.439 81 Q HA -0.015 4.324 4.340 -0.000 0.000 0.211 81 Q C 1.216 177.194 176.000 -0.037 0.000 0.978 81 Q CA 0.973 56.756 55.803 -0.034 0.000 0.897 81 Q CB -0.134 28.582 28.738 -0.036 0.000 0.956 81 Q HN 0.523 nan 8.270 nan 0.000 0.483 82 N N -0.144 118.529 118.700 -0.044 0.000 2.317 82 N HA 0.119 4.859 4.740 -0.000 0.000 0.199 82 N C -0.271 175.216 175.510 -0.039 0.000 1.145 82 N CA 0.254 53.279 53.050 -0.042 0.000 0.882 82 N CB 0.937 39.394 38.487 -0.050 0.000 1.113 82 N HN 0.055 nan 8.380 nan 0.000 0.486 83 R N 1.239 121.713 120.500 -0.043 0.000 2.514 83 R HA 0.380 4.720 4.340 -0.000 0.000 0.296 83 R C -2.694 173.588 176.300 -0.029 0.000 1.012 83 R CA -1.379 54.698 56.100 -0.039 0.000 0.897 83 R CB 2.759 33.027 30.300 -0.052 0.000 1.184 83 R HN -0.014 nan 8.270 nan 0.000 0.440 84 P HA -0.017 nan 4.420 nan 0.000 0.274 84 P C -0.069 177.230 177.300 -0.002 0.000 1.256 84 P CA -0.292 62.803 63.100 -0.008 0.000 0.795 84 P CB 1.079 32.776 31.700 -0.005 0.000 1.038 85 Q N 0.566 120.373 119.800 0.012 0.000 1.967 85 Q HA -0.276 4.064 4.340 -0.000 0.000 0.210 85 Q C 2.107 178.121 176.000 0.024 0.000 1.005 85 Q CA 1.974 57.794 55.803 0.028 0.000 0.862 85 Q CB -0.476 28.287 28.738 0.042 0.000 0.939 85 Q HN 0.451 nan 8.270 nan 0.000 0.417 86 Q N -0.645 119.165 119.800 0.017 0.000 2.368 86 Q HA -0.154 4.186 4.340 -0.000 0.000 0.210 86 Q C 1.711 177.713 176.000 0.003 0.000 0.982 86 Q CA 1.308 57.117 55.803 0.011 0.000 0.884 86 Q CB -0.239 28.503 28.738 0.006 0.000 0.933 86 Q HN 0.580 nan 8.270 nan 0.000 0.460 87 G N 0.889 109.687 108.800 -0.002 0.000 2.394 87 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.215 87 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.215 87 G C 1.425 176.315 174.900 -0.017 0.000 1.165 87 G CA 0.621 45.714 45.100 -0.012 0.000 0.784 87 G HN 0.344 nan 8.290 nan 0.000 0.535 88 I N 0.822 121.384 120.570 -0.014 0.000 2.142 88 I HA -0.175 3.995 4.170 -0.000 0.000 0.240 88 I C 2.784 178.898 176.117 -0.004 0.000 1.078 88 I CA 1.435 62.722 61.300 -0.020 0.000 1.343 88 I CB -0.407 37.583 38.000 -0.016 0.000 1.046 88 I HN 0.272 nan 8.210 nan 0.000 0.405 89 E N 0.849 121.059 120.200 0.017 0.000 2.021 89 E HA -0.271 4.078 4.350 -0.000 0.000 0.200 89 E C 2.287 178.882 176.600 -0.008 0.000 1.015 89 E CA 1.307 57.717 56.400 0.016 0.000 0.824 89 E CB -0.380 29.332 29.700 0.020 0.000 0.762 89 E HN 0.343 nan 8.360 nan 0.000 0.454 90 L N 1.413 122.630 121.223 -0.011 0.000 2.079 90 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 90 L C 2.305 179.159 176.870 -0.028 0.000 1.081 90 L CA 1.833 56.662 54.840 -0.018 0.000 0.752 90 L CB -0.628 41.422 42.059 -0.014 0.000 0.896 90 L HN 0.254 nan 8.230 nan 0.000 0.433 91 E N -0.564 119.618 120.200 -0.030 0.000 2.072 91 E HA -0.222 4.128 4.350 -0.000 0.000 0.191 91 E C 2.245 178.815 176.600 -0.050 0.000 0.985 91 E CA 0.890 57.266 56.400 -0.039 0.000 0.801 91 E CB 0.175 29.849 29.700 -0.044 0.000 0.750 91 E HN 0.349 nan 8.360 nan 0.000 0.452 92 I N 1.567 122.107 120.570 -0.051 0.000 2.179 92 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 92 I C 2.165 178.225 176.117 -0.094 0.000 1.088 92 I CA 1.436 62.695 61.300 -0.070 0.000 1.357 92 I CB -1.059 36.909 38.000 -0.054 0.000 1.051 92 I HN 0.204 nan 8.210 nan 0.000 0.409 93 E N 0.519 120.672 120.200 -0.077 0.000 2.265 93 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 93 E C 1.642 178.201 176.600 -0.070 0.000 0.996 93 E CA 0.672 57.022 56.400 -0.084 0.000 0.832 93 E CB -0.080 29.589 29.700 -0.053 0.000 0.756 93 E HN 0.486 nan 8.360 nan 0.000 0.491 94 N N 0.840 119.507 118.700 -0.055 0.000 2.354 94 N HA -0.060 4.680 4.740 -0.000 0.000 0.179 94 N C 1.808 177.291 175.510 -0.045 0.000 1.021 94 N CA 0.675 53.699 53.050 -0.043 0.000 0.887 94 N CB 0.127 38.595 38.487 -0.033 0.000 0.974 94 N HN 0.363 nan 8.380 nan 0.000 0.437 95 I N -3.948 116.588 120.570 -0.058 0.000 3.928 95 I HA 0.409 4.579 4.170 -0.000 0.000 0.335 95 I C 0.739 176.815 176.117 -0.068 0.000 1.325 95 I CA -0.194 61.075 61.300 -0.053 0.000 1.107 95 I CB -0.162 37.808 38.000 -0.050 0.000 1.014 95 I HN -0.113 nan 8.210 nan 0.000 0.400 96 G N 1.817 110.557 108.800 -0.100 0.000 2.295 96 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.287 96 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.287 96 G C 0.035 174.799 174.900 -0.227 0.000 1.055 96 G CA 0.509 45.522 45.100 -0.146 0.000 0.922 96 G HN 0.507 nan 8.290 nan 0.000 0.503 97 S N -0.465 115.083 115.700 -0.254 0.000 2.758 97 S HA 0.843 5.313 4.470 -0.000 0.000 0.292 97 S C -0.134 174.192 174.600 -0.458 0.000 1.131 97 S CA -0.751 57.313 58.200 -0.227 0.000 0.997 97 S CB 1.177 64.320 63.200 -0.095 0.000 1.111 97 S HN 0.439 nan 8.310 nan 0.000 0.552 98 H N 0.091 119.166 119.070 0.008 0.000 2.806 98 H HA 0.556 5.112 4.556 -0.000 0.000 0.367 98 H C -1.482 173.826 175.328 -0.033 0.000 1.136 98 H CA -0.601 55.446 56.048 -0.003 0.000 1.178 98 H CB 1.769 31.541 29.762 0.015 0.000 1.718 98 H HN 0.238 nan 8.280 nan 0.000 0.540 99 L N 2.936 124.197 121.223 0.063 0.000 2.409 99 L HA 0.431 4.770 4.340 -0.000 0.000 0.272 99 L C -0.768 176.071 176.870 -0.051 0.000 0.980 99 L CA -0.278 54.562 54.840 -0.001 0.000 0.826 99 L CB 1.315 43.434 42.059 0.100 0.000 1.268 99 L HN 0.607 nan 8.230 nan 0.000 0.407 100 N N 2.511 121.004 118.700 -0.345 0.000 2.732 100 N HA 0.907 5.647 4.740 -0.000 0.000 0.259 100 N C -1.846 173.484 175.510 -0.300 0.000 1.402 100 N CA -0.226 52.614 53.050 -0.350 0.000 0.829 100 N CB 2.645 40.826 38.487 -0.510 0.000 1.495 100 N HN 0.734 nan 8.380 nan 0.000 0.511 101 A N 0.546 123.320 122.820 -0.077 0.000 2.606 101 A HA 0.720 5.040 4.320 -0.000 0.000 0.293 101 A C -2.102 175.463 177.584 -0.033 0.000 1.082 101 A CA -0.527 51.405 52.037 -0.174 0.000 0.685 101 A CB 1.241 20.030 19.000 -0.352 0.000 1.284 101 A HN 0.665 nan 8.150 nan 0.000 0.408 102 Y N -1.992 118.194 120.300 -0.190 0.000 2.609 102 Y HA 0.835 5.385 4.550 -0.000 0.000 0.336 102 Y C -0.684 175.158 175.900 -0.097 0.000 1.129 102 Y CA -0.915 57.128 58.100 -0.095 0.000 1.040 102 Y CB 1.093 39.541 38.460 -0.021 0.000 1.310 102 Y HN 0.538 nan 8.280 nan 0.000 0.460 103 T N 2.408 117.080 114.554 0.197 0.000 2.861 103 T HA 0.662 5.012 4.350 -0.000 0.000 0.287 103 T C -0.608 174.223 174.700 0.218 0.000 1.003 103 T CA -0.607 61.585 62.100 0.154 0.000 0.977 103 T CB 1.383 70.349 68.868 0.162 0.000 0.996 103 T HN 0.946 nan 8.240 nan 0.000 0.448 104 S N 2.303 118.132 115.700 0.216 0.000 2.806 104 S HA 0.529 4.999 4.470 -0.000 0.000 0.315 104 S C 0.927 175.626 174.600 0.164 0.000 1.127 104 S CA -1.118 57.202 58.200 0.201 0.000 0.918 104 S CB 1.577 64.938 63.200 0.268 0.000 1.240 104 S HN 0.601 nan 8.310 nan 0.000 0.552 105 R N 0.294 120.889 120.500 0.159 0.000 2.148 105 R HA 0.049 4.389 4.340 -0.000 0.000 0.227 105 R C 1.690 178.058 176.300 0.114 0.000 1.103 105 R CA 1.397 57.554 56.100 0.095 0.000 0.983 105 R CB -0.177 30.134 30.300 0.018 0.000 0.874 105 R HN 0.723 nan 8.270 nan 0.000 0.451 106 E N -0.176 120.145 120.200 0.202 0.000 2.251 106 E HA 0.009 4.359 4.350 -0.000 0.000 0.194 106 E C -0.241 176.463 176.600 0.174 0.000 0.964 106 E CA 0.472 56.993 56.400 0.202 0.000 0.868 106 E CB 0.364 30.252 29.700 0.314 0.000 0.828 106 E HN 0.377 nan 8.360 nan 0.000 0.481 107 N N -1.105 117.701 118.700 0.178 0.000 2.972 107 N HA 0.295 5.034 4.740 -0.000 0.000 0.262 107 N C -1.394 174.166 175.510 0.083 0.000 1.478 107 N CA -0.725 52.405 53.050 0.133 0.000 0.841 107 N CB 1.600 40.157 38.487 0.117 0.000 1.512 107 N HN -0.282 nan 8.380 nan 0.000 0.548 108 T N 0.157 114.722 114.554 0.019 0.000 2.824 108 T HA 0.682 5.032 4.350 -0.000 0.000 0.282 108 T C -1.047 173.480 174.700 -0.288 0.000 0.993 108 T CA -0.569 61.484 62.100 -0.078 0.000 0.967 108 T CB 1.266 70.211 68.868 0.130 0.000 0.960 108 T HN 0.283 nan 8.240 nan 0.000 0.441 109 V N 3.388 122.904 119.914 -0.662 0.000 2.638 109 V HA 0.547 4.667 4.120 -0.000 0.000 0.306 109 V C -1.571 174.084 176.094 -0.732 0.000 1.052 109 V CA -0.987 60.799 62.300 -0.857 0.000 0.885 109 V CB 1.569 32.453 31.823 -1.566 0.000 0.999 109 V HN 0.853 nan 8.190 nan 0.000 0.424 110 Y N 4.701 124.810 120.300 -0.319 0.000 2.391 110 Y HA 0.778 5.327 4.550 -0.000 0.000 0.341 110 Y C -0.327 175.553 175.900 -0.034 0.000 0.965 110 Y CA -0.848 57.168 58.100 -0.141 0.000 1.067 110 Y CB 1.990 40.374 38.460 -0.127 0.000 1.199 110 Y HN 0.755 nan 8.280 nan 0.000 0.450 111 Y N 0.074 120.387 120.300 0.021 0.000 2.655 111 Y HA 0.982 5.532 4.550 -0.000 0.000 0.336 111 Y C -1.548 174.405 175.900 0.088 0.000 1.154 111 Y CA -2.005 56.119 58.100 0.041 0.000 1.055 111 Y CB 1.201 39.671 38.460 0.016 0.000 1.295 111 Y HN 0.682 nan 8.280 nan 0.000 0.465 112 A N 1.709 124.652 122.820 0.205 0.000 2.515 112 A HA 0.789 5.108 4.320 -0.000 0.000 0.298 112 A C -1.696 176.016 177.584 0.213 0.000 1.059 112 A CA -1.241 50.869 52.037 0.121 0.000 0.698 112 A CB 1.778 20.812 19.000 0.056 0.000 1.289 112 A HN 0.695 nan 8.150 nan 0.000 0.404 113 K N 1.050 121.570 120.400 0.200 0.000 2.292 113 K HA 0.740 5.060 4.320 -0.000 0.000 0.257 113 K C -0.654 176.034 176.600 0.145 0.000 0.940 113 K CA -0.307 56.101 56.287 0.201 0.000 0.811 113 K CB 1.980 34.629 32.500 0.248 0.000 1.120 113 K HN 0.953 nan 8.250 nan 0.000 0.428 114 S N 1.403 117.163 115.700 0.101 0.000 2.611 114 S HA 0.459 4.928 4.470 -0.000 0.000 0.268 114 S C -0.998 173.630 174.600 0.046 0.000 1.156 114 S CA -1.095 57.137 58.200 0.053 0.000 0.817 114 S CB 0.427 63.636 63.200 0.014 0.000 1.122 114 S HN 0.255 nan 8.310 nan 0.000 0.466 115 L N 2.448 123.687 121.223 0.026 0.000 2.467 115 L HA 0.267 4.607 4.340 -0.000 0.000 0.270 115 L C 2.412 179.296 176.870 0.024 0.000 1.205 115 L CA 0.054 54.909 54.840 0.026 0.000 0.828 115 L CB 0.054 42.123 42.059 0.016 0.000 1.101 115 L HN 0.970 nan 8.230 nan 0.000 0.479 116 Q N 0.609 120.429 119.800 0.033 0.000 2.152 116 Q HA -0.270 4.070 4.340 -0.000 0.000 0.206 116 Q C 1.125 177.139 176.000 0.025 0.000 0.985 116 Q CA 2.086 57.913 55.803 0.040 0.000 0.863 116 Q CB -0.316 28.458 28.738 0.059 0.000 0.904 116 Q HN 0.764 nan 8.270 nan 0.000 0.422 117 E N 1.579 121.789 120.200 0.018 0.000 2.160 117 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 117 E C 1.050 177.637 176.600 -0.021 0.000 0.991 117 E CA 1.471 57.876 56.400 0.008 0.000 0.810 117 E CB -0.002 29.704 29.700 0.009 0.000 0.742 117 E HN 0.502 nan 8.360 nan 0.000 0.466 118 D N 0.046 120.428 120.400 -0.028 0.000 2.328 118 D HA 0.013 4.653 4.640 -0.000 0.000 0.221 118 D C 1.374 177.621 176.300 -0.088 0.000 1.072 118 D CA 0.033 53.999 54.000 -0.058 0.000 0.850 118 D CB 0.223 40.995 40.800 -0.047 0.000 0.922 118 D HN 0.112 nan 8.370 nan 0.000 0.516 119 I N 2.357 122.879 120.570 -0.080 0.000 2.118 119 I HA -0.208 3.962 4.170 -0.000 0.000 0.241 119 I C -0.335 175.648 176.117 -0.223 0.000 1.070 119 I CA 1.498 62.740 61.300 -0.097 0.000 1.327 119 I CB -2.532 35.438 38.000 -0.049 0.000 1.034 119 I HN 0.059 nan 8.210 nan 0.000 0.405 120 P HA -0.214 nan 4.420 nan 0.000 0.214 120 P C 1.664 178.735 177.300 -0.382 0.000 1.163 120 P CA 1.747 64.462 63.100 -0.642 0.000 0.883 120 P CB -0.092 31.041 31.700 -0.945 0.000 0.788 121 K N 0.826 121.070 120.400 -0.259 0.000 2.127 121 K HA -0.159 4.160 4.320 -0.000 0.000 0.208 121 K C 2.103 178.560 176.600 -0.238 0.000 1.047 121 K CA 1.903 58.059 56.287 -0.218 0.000 0.927 121 K CB -1.301 31.119 32.500 -0.133 0.000 0.716 121 K HN 0.034 nan 8.250 nan 0.000 0.450 122 A N -0.025 122.685 122.820 -0.184 0.000 1.858 122 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 122 A C 2.347 179.848 177.584 -0.139 0.000 1.190 122 A CA 1.884 53.846 52.037 -0.125 0.000 0.617 122 A CB -0.840 18.126 19.000 -0.056 0.000 0.827 122 A HN 0.124 nan 8.150 nan 0.000 0.443 123 V N 0.868 120.688 119.914 -0.157 0.000 2.343 123 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 123 V C 2.411 178.296 176.094 -0.349 0.000 1.051 123 V CA 2.450 64.707 62.300 -0.072 0.000 1.036 123 V CB -0.897 30.956 31.823 0.051 0.000 0.654 123 V HN 0.720 nan 8.190 nan 0.000 0.451 124 D N 0.593 120.513 120.400 -0.799 0.000 2.108 124 D HA -0.202 4.438 4.640 -0.000 0.000 0.190 124 D C 1.961 177.954 176.300 -0.511 0.000 0.995 124 D CA 1.983 55.299 54.000 -1.141 0.000 0.834 124 D CB -0.307 39.855 40.800 -1.063 0.000 0.967 124 D HN 0.411 nan 8.370 nan 0.000 0.446 125 I N 0.073 120.437 120.570 -0.343 0.000 2.264 125 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 125 I C 2.554 178.545 176.117 -0.209 0.000 1.111 125 I CA 0.492 61.652 61.300 -0.233 0.000 1.382 125 I CB -0.229 37.666 38.000 -0.175 0.000 1.060 125 I HN 0.144 nan 8.210 nan 0.000 0.418 126 L N 0.443 121.573 121.223 -0.155 0.000 1.976 126 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 126 L C 2.919 179.713 176.870 -0.126 0.000 1.071 126 L CA 1.965 56.761 54.840 -0.072 0.000 0.746 126 L CB -0.742 41.384 42.059 0.112 0.000 0.890 126 L HN 0.373 nan 8.230 nan 0.000 0.432 127 S N -0.885 114.650 115.700 -0.276 0.000 2.387 127 S HA -0.280 4.190 4.470 -0.000 0.000 0.230 127 S C 1.658 176.076 174.600 -0.303 0.000 1.035 127 S CA 1.695 59.516 58.200 -0.631 0.000 1.014 127 S CB -0.545 61.911 63.200 -1.240 0.000 0.836 127 S HN 0.424 nan 8.310 nan 0.000 0.466 128 D N 1.539 121.784 120.400 -0.258 0.000 2.097 128 D HA -0.011 4.629 4.640 -0.000 0.000 0.195 128 D C 1.748 177.943 176.300 -0.177 0.000 0.989 128 D CA 1.420 55.310 54.000 -0.184 0.000 0.827 128 D CB -0.385 40.310 40.800 -0.175 0.000 0.966 128 D HN 0.543 nan 8.370 nan 0.000 0.456 129 I N -0.169 120.259 120.570 -0.237 0.000 2.439 129 I HA -0.162 4.008 4.170 -0.000 0.000 0.251 129 I C 2.170 178.091 176.117 -0.326 0.000 1.139 129 I CA 0.258 61.379 61.300 -0.298 0.000 1.438 129 I CB -0.045 37.698 38.000 -0.427 0.000 1.085 129 I HN 0.121 nan 8.210 nan 0.000 0.427 130 L N 0.547 121.568 121.223 -0.337 0.000 2.023 130 L HA -0.156 4.184 4.340 -0.000 0.000 0.205 130 L C 2.552 179.440 176.870 0.031 0.000 1.073 130 L CA 2.468 57.141 54.840 -0.279 0.000 0.745 130 L CB -0.647 41.280 42.059 -0.219 0.000 0.900 130 L HN 0.368 nan 8.230 nan 0.000 0.435 131 T N -4.814 109.768 114.554 0.046 0.000 3.023 131 T HA 0.073 4.423 4.350 -0.000 0.000 0.249 131 T C 1.290 176.034 174.700 0.073 0.000 1.050 131 T CA 0.116 62.297 62.100 0.136 0.000 1.088 131 T CB -0.126 68.885 68.868 0.238 0.000 0.946 131 T HN 0.228 nan 8.240 nan 0.000 0.480 132 K N 2.810 123.212 120.400 0.003 0.000 2.699 132 K HA 0.288 4.608 4.320 -0.000 0.000 0.210 132 K C -0.177 176.401 176.600 -0.036 0.000 1.076 132 K CA -0.297 55.977 56.287 -0.020 0.000 1.109 132 K CB 0.672 33.139 32.500 -0.055 0.000 0.862 132 K HN 0.429 nan 8.250 nan 0.000 0.470 133 S N -0.384 115.296 115.700 -0.032 0.000 2.548 133 S HA 0.078 4.548 4.470 -0.000 0.000 0.277 133 S C 1.610 176.202 174.600 -0.013 0.000 1.315 133 S CA -0.855 57.325 58.200 -0.032 0.000 1.050 133 S CB 1.652 64.834 63.200 -0.029 0.000 0.918 133 S HN -0.066 nan 8.310 nan 0.000 0.497 134 V N 3.163 123.071 119.914 -0.009 0.000 2.255 134 V HA -0.178 3.942 4.120 -0.000 0.000 0.247 134 V C 1.323 177.421 176.094 0.006 0.000 1.051 134 V CA 1.624 63.923 62.300 -0.002 0.000 1.018 134 V CB -1.426 30.398 31.823 0.002 0.000 0.641 134 V HN 0.958 nan 8.190 nan 0.000 0.445 135 L N 0.421 121.657 121.223 0.021 0.000 3.533 135 L HA -0.181 4.159 4.340 -0.000 0.000 0.477 135 L C 0.059 176.942 176.870 0.023 0.000 1.306 135 L CA 0.053 54.911 54.840 0.029 0.000 0.850 135 L CB -1.830 40.235 42.059 0.011 0.000 1.654 135 L HN 0.501 nan 8.230 nan 0.000 0.863 136 D N 0.282 120.699 120.400 0.029 0.000 2.458 136 D HA 0.068 4.708 4.640 -0.000 0.000 0.243 136 D C 1.291 177.607 176.300 0.027 0.000 1.146 136 D CA 0.466 54.480 54.000 0.023 0.000 0.877 136 D CB 0.608 41.422 40.800 0.024 0.000 1.176 136 D HN 0.296 nan 8.370 nan 0.000 0.461 137 N N 1.641 120.350 118.700 0.014 0.000 2.137 137 N HA -0.233 4.507 4.740 -0.000 0.000 0.190 137 N C 1.553 177.077 175.510 0.024 0.000 1.017 137 N CA 0.933 53.989 53.050 0.011 0.000 0.859 137 N CB 0.023 38.511 38.487 0.002 0.000 1.002 137 N HN 0.363 nan 8.380 nan 0.000 0.428 138 S N 0.560 116.275 115.700 0.025 0.000 2.355 138 S HA -0.068 4.402 4.470 -0.000 0.000 0.222 138 S C 2.048 176.675 174.600 0.044 0.000 1.031 138 S CA 1.105 59.322 58.200 0.029 0.000 0.993 138 S CB -0.291 62.922 63.200 0.023 0.000 0.859 138 S HN 0.384 nan 8.310 nan 0.000 0.453 139 A N 1.842 124.693 122.820 0.052 0.000 1.865 139 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 139 A C 2.159 179.812 177.584 0.115 0.000 1.191 139 A CA 1.729 53.810 52.037 0.073 0.000 0.623 139 A CB -1.010 18.035 19.000 0.076 0.000 0.826 139 A HN 0.644 nan 8.150 nan 0.000 0.444 140 I N -0.314 120.332 120.570 0.128 0.000 2.248 140 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 140 I C 2.336 178.575 176.117 0.202 0.000 1.107 140 I CA 1.415 62.833 61.300 0.196 0.000 1.373 140 I CB -0.384 37.648 38.000 0.052 0.000 1.055 140 I HN 0.338 nan 8.210 nan 0.000 0.418 141 E N 0.606 120.871 120.200 0.109 0.000 2.112 141 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 141 E C 2.268 178.917 176.600 0.081 0.000 0.979 141 E CA 0.737 57.190 56.400 0.089 0.000 0.814 141 E CB -0.157 29.572 29.700 0.047 0.000 0.762 141 E HN 0.481 nan 8.360 nan 0.000 0.460 142 R N 0.687 121.226 120.500 0.065 0.000 2.092 142 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 142 R C 2.165 178.477 176.300 0.020 0.000 1.119 142 R CA 1.047 57.169 56.100 0.038 0.000 0.970 142 R CB -0.053 30.265 30.300 0.030 0.000 0.864 142 R HN -0.003 nan 8.270 nan 0.000 0.440 143 E N 0.876 121.094 120.200 0.031 0.000 2.204 143 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 143 E C 1.695 178.194 176.600 -0.169 0.000 0.989 143 E CA 1.146 57.491 56.400 -0.091 0.000 0.824 143 E CB 0.076 29.705 29.700 -0.117 0.000 0.756 143 E HN 0.204 nan 8.360 nan 0.000 0.477 144 R N 0.439 120.966 120.500 0.045 0.000 2.117 144 R HA -0.166 4.174 4.340 -0.000 0.000 0.243 144 R C 2.022 178.308 176.300 -0.024 0.000 1.143 144 R CA 1.490 57.640 56.100 0.083 0.000 0.968 144 R CB -0.438 29.961 30.300 0.165 0.000 0.863 144 R HN 0.273 nan 8.270 nan 0.000 0.444 145 D N 0.569 120.953 120.400 -0.028 0.000 2.123 145 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 145 D C 1.916 178.175 176.300 -0.069 0.000 0.976 145 D CA 0.963 54.943 54.000 -0.034 0.000 0.831 145 D CB 0.260 41.050 40.800 -0.017 0.000 0.974 145 D HN 0.007 nan 8.370 nan 0.000 0.469 146 V N 1.876 121.726 119.914 -0.107 0.000 2.255 146 V HA -0.253 3.867 4.120 -0.000 0.000 0.247 146 V C 2.637 178.630 176.094 -0.169 0.000 1.051 146 V CA 1.063 63.289 62.300 -0.124 0.000 1.018 146 V CB -0.441 31.298 31.823 -0.141 0.000 0.641 146 V HN 0.261 nan 8.190 nan 0.000 0.445 147 I N -0.198 120.193 120.570 -0.297 0.000 2.264 147 I HA -0.212 3.958 4.170 -0.000 0.000 0.248 147 I C 2.410 178.460 176.117 -0.111 0.000 1.111 147 I CA 1.557 62.694 61.300 -0.272 0.000 1.382 147 I CB -1.202 36.570 38.000 -0.380 0.000 1.060 147 I HN 0.233 nan 8.210 nan 0.000 0.418 148 I N 0.561 121.082 120.570 -0.081 0.000 2.202 148 I HA -0.246 3.923 4.170 -0.000 0.000 0.242 148 I C 2.706 178.801 176.117 -0.036 0.000 1.091 148 I CA 1.214 62.491 61.300 -0.038 0.000 1.368 148 I CB -1.241 36.747 38.000 -0.020 0.000 1.058 148 I HN 0.192 nan 8.210 nan 0.000 0.410 149 R N 0.912 121.388 120.500 -0.040 0.000 2.096 149 R HA -0.231 4.109 4.340 -0.000 0.000 0.240 149 R C 2.291 178.574 176.300 -0.029 0.000 1.139 149 R CA 1.876 57.957 56.100 -0.030 0.000 0.952 149 R CB -0.342 29.940 30.300 -0.030 0.000 0.854 149 R HN 0.395 nan 8.270 nan 0.000 0.436 150 E N -0.847 119.334 120.200 -0.032 0.000 2.085 150 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 150 E C 1.836 178.414 176.600 -0.036 0.000 0.994 150 E CA 1.484 57.872 56.400 -0.020 0.000 0.801 150 E CB -0.141 29.564 29.700 0.010 0.000 0.743 150 E HN 0.270 nan 8.360 nan 0.000 0.453 151 S N 0.143 115.818 115.700 -0.042 0.000 2.370 151 S HA -0.201 4.269 4.470 -0.000 0.000 0.226 151 S C 1.673 176.253 174.600 -0.032 0.000 1.033 151 S CA 1.522 59.697 58.200 -0.043 0.000 1.011 151 S CB -0.216 62.964 63.200 -0.033 0.000 0.852 151 S HN 0.306 nan 8.310 nan 0.000 0.457 152 E N 0.047 120.232 120.200 -0.026 0.000 2.265 152 E HA -0.113 4.237 4.350 -0.000 0.000 0.196 152 E C 2.020 178.601 176.600 -0.032 0.000 0.996 152 E CA 0.920 57.308 56.400 -0.021 0.000 0.832 152 E CB 0.020 29.710 29.700 -0.016 0.000 0.756 152 E HN 0.474 nan 8.360 nan 0.000 0.491 153 E N 0.109 120.286 120.200 -0.039 0.000 2.122 153 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 153 E C 2.268 178.827 176.600 -0.069 0.000 0.977 153 E CA 0.449 56.818 56.400 -0.052 0.000 0.820 153 E CB -0.123 29.551 29.700 -0.043 0.000 0.770 153 E HN 0.109 nan 8.360 nan 0.000 0.462 154 V N 2.425 122.303 119.914 -0.061 0.000 2.407 154 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 154 V C 1.567 177.620 176.094 -0.068 0.000 1.055 154 V CA 1.737 63.998 62.300 -0.066 0.000 1.049 154 V CB -0.445 31.343 31.823 -0.058 0.000 0.662 154 V HN 0.134 nan 8.190 nan 0.000 0.455 155 D N 0.147 120.519 120.400 -0.047 0.000 2.309 155 D HA -0.133 4.507 4.640 -0.000 0.000 0.212 155 D C 1.968 178.220 176.300 -0.080 0.000 0.968 155 D CA 0.964 54.951 54.000 -0.022 0.000 0.882 155 D CB -0.078 40.726 40.800 0.007 0.000 0.918 155 D HN 0.486 nan 8.370 nan 0.000 0.503 156 K N -0.437 119.868 120.400 -0.159 0.000 2.393 156 K HA 0.186 4.506 4.320 -0.000 0.000 0.193 156 K C 0.599 176.856 176.600 -0.572 0.000 1.026 156 K CA 0.081 56.182 56.287 -0.311 0.000 1.064 156 K CB 0.436 32.821 32.500 -0.191 0.000 0.833 156 K HN 0.067 nan 8.250 nan 0.000 0.521 157 M N 1.479 120.851 119.600 -0.379 0.000 2.289 157 M HA 0.175 4.655 4.480 -0.000 0.000 0.354 157 M C -0.324 175.816 176.300 -0.267 0.000 1.210 157 M CA -0.493 54.607 55.300 -0.333 0.000 1.174 157 M CB 0.467 32.975 32.600 -0.153 0.000 1.297 157 M HN -0.023 nan 8.290 nan 0.000 0.423 158 Y N 1.020 121.241 120.300 -0.131 0.000 2.193 158 Y HA -0.309 4.241 4.550 -0.000 0.000 0.285 158 Y C 2.250 178.052 175.900 -0.164 0.000 1.166 158 Y CA 1.740 59.680 58.100 -0.267 0.000 1.181 158 Y CB -0.868 37.138 38.460 -0.757 0.000 0.976 158 Y HN 0.658 nan 8.280 nan 0.000 0.520 159 D N 0.055 120.497 120.400 0.070 0.000 2.097 159 D HA -0.180 4.460 4.640 -0.000 0.000 0.195 159 D C 1.591 177.903 176.300 0.021 0.000 0.989 159 D CA 1.478 55.461 54.000 -0.028 0.000 0.827 159 D CB -0.595 40.166 40.800 -0.064 0.000 0.966 159 D HN 0.323 nan 8.370 nan 0.000 0.456 160 E N 0.641 120.874 120.200 0.055 0.000 2.070 160 E HA -0.130 4.219 4.350 -0.000 0.000 0.197 160 E C 2.571 179.226 176.600 0.091 0.000 1.004 160 E CA 0.809 57.254 56.400 0.075 0.000 0.805 160 E CB -0.411 29.290 29.700 0.002 0.000 0.744 160 E HN 0.260 nan 8.360 nan 0.000 0.451 161 V N 1.250 121.209 119.914 0.075 0.000 2.255 161 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 161 V C 2.646 178.856 176.094 0.194 0.000 1.051 161 V CA 1.547 63.933 62.300 0.144 0.000 1.018 161 V CB -0.633 31.282 31.823 0.153 0.000 0.641 161 V HN 0.062 nan 8.190 nan 0.000 0.445 162 V N -0.669 119.279 119.914 0.058 0.000 2.287 162 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 162 V C 2.217 178.281 176.094 -0.051 0.000 1.053 162 V CA 2.315 64.591 62.300 -0.040 0.000 1.027 162 V CB -0.793 30.940 31.823 -0.150 0.000 0.646 162 V HN 0.455 nan 8.190 nan 0.000 0.447 163 F N 0.262 120.233 119.950 0.035 0.000 2.269 163 F HA -0.119 4.408 4.527 -0.000 0.000 0.301 163 F C 2.262 178.143 175.800 0.135 0.000 1.082 163 F CA 1.321 59.345 58.000 0.041 0.000 1.360 163 F CB -0.617 38.335 39.000 -0.079 0.000 1.041 163 F HN 0.219 nan 8.300 nan 0.000 0.512 164 D N -1.028 119.508 120.400 0.227 0.000 2.117 164 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 164 D C 2.064 178.429 176.300 0.109 0.000 0.982 164 D CA 1.416 55.480 54.000 0.107 0.000 0.828 164 D CB -0.441 40.357 40.800 -0.003 0.000 0.967 164 D HN 0.322 nan 8.370 nan 0.000 0.464 165 H N -0.018 119.104 119.070 0.088 0.000 2.387 165 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 165 H C 1.906 177.271 175.328 0.063 0.000 1.090 165 H CA 0.670 56.752 56.048 0.057 0.000 1.332 165 H CB -0.099 29.674 29.762 0.018 0.000 1.386 165 H HN 0.018 nan 8.280 nan 0.000 0.516 166 L N -0.081 121.270 121.223 0.214 0.000 2.046 166 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 166 L C 1.770 178.694 176.870 0.090 0.000 1.077 166 L CA 1.853 56.771 54.840 0.131 0.000 0.747 166 L CB -0.417 41.749 42.059 0.178 0.000 0.896 166 L HN 0.266 nan 8.230 nan 0.000 0.432 167 H N -0.887 118.248 119.070 0.110 0.000 2.389 167 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 167 H C 2.186 177.571 175.328 0.096 0.000 1.081 167 H CA 1.580 57.716 56.048 0.147 0.000 1.345 167 H CB 0.124 30.008 29.762 0.203 0.000 1.393 167 H HN 0.487 nan 8.280 nan 0.000 0.520 168 E N 0.442 120.740 120.200 0.165 0.000 2.051 168 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 168 E C 2.024 178.643 176.600 0.031 0.000 0.991 168 E CA 1.569 58.018 56.400 0.081 0.000 0.799 168 E CB -0.027 29.685 29.700 0.021 0.000 0.748 168 E HN 0.669 nan 8.360 nan 0.000 0.449 169 I N -2.191 118.373 120.570 -0.009 0.000 2.716 169 I HA -0.019 4.151 4.170 -0.000 0.000 0.259 169 I C 1.851 177.856 176.117 -0.186 0.000 1.172 169 I CA 0.888 62.148 61.300 -0.067 0.000 1.478 169 I CB -0.129 37.835 38.000 -0.060 0.000 1.104 169 I HN -0.094 nan 8.210 nan 0.000 0.439 170 T N 0.394 114.759 114.554 -0.314 0.000 2.896 170 T HA -0.034 4.316 4.350 -0.000 0.000 0.263 170 T C 0.405 174.712 174.700 -0.656 0.000 1.050 170 T CA 1.348 63.035 62.100 -0.688 0.000 1.140 170 T CB -0.280 68.020 68.868 -0.946 0.000 0.877 170 T HN 0.346 nan 8.240 nan 0.000 0.457 171 Y N 1.676 121.883 120.300 -0.154 0.000 2.724 171 Y HA 0.503 5.053 4.550 -0.000 0.000 0.370 171 Y C 0.299 176.172 175.900 -0.046 0.000 0.978 171 Y CA -1.826 56.225 58.100 -0.083 0.000 1.443 171 Y CB -0.248 38.186 38.460 -0.043 0.000 1.386 171 Y HN -0.130 nan 8.280 nan 0.000 0.557 172 K N 2.055 122.475 120.400 0.034 0.000 2.477 172 K HA -0.119 4.201 4.320 -0.000 0.000 0.275 172 K C 0.300 176.932 176.600 0.053 0.000 1.054 172 K CA 0.951 57.255 56.287 0.029 0.000 1.135 172 K CB -0.223 32.276 32.500 -0.001 0.000 0.854 172 K HN 0.470 nan 8.250 nan 0.000 0.484 173 D N 2.590 123.020 120.400 0.049 0.000 2.811 173 D HA -0.226 4.414 4.640 -0.000 0.000 0.231 173 D C -0.589 175.739 176.300 0.048 0.000 1.157 173 D CA 1.070 55.096 54.000 0.043 0.000 0.716 173 D CB -0.704 40.116 40.800 0.034 0.000 1.077 173 D HN 0.691 nan 8.370 nan 0.000 0.428 174 Q N -1.465 118.373 119.800 0.063 0.000 2.445 174 Q HA 0.370 4.710 4.340 -0.000 0.000 0.281 174 Q C -1.823 174.187 176.000 0.015 0.000 1.101 174 Q CA -1.805 54.023 55.803 0.042 0.000 0.833 174 Q CB 1.670 30.445 28.738 0.061 0.000 1.416 174 Q HN -0.196 nan 8.270 nan 0.000 0.451 175 P HA -0.183 nan 4.420 nan 0.000 0.215 175 P C 0.934 178.193 177.300 -0.068 0.000 1.157 175 P CA 1.084 64.164 63.100 -0.033 0.000 0.874 175 P CB 0.212 31.887 31.700 -0.042 0.000 0.790 176 L N -1.012 120.102 121.223 -0.182 0.000 2.353 176 L HA -0.003 4.337 4.340 -0.000 0.000 0.220 176 L C 2.186 179.066 176.870 0.017 0.000 1.133 176 L CA 1.636 56.305 54.840 -0.284 0.000 0.798 176 L CB -1.648 39.900 42.059 -0.851 0.000 0.922 176 L HN 0.010 nan 8.230 nan 0.000 0.445 177 G N -1.394 107.467 108.800 0.100 0.000 2.813 177 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.209 177 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.209 177 G C 0.931 175.902 174.900 0.117 0.000 1.150 177 G CA -0.260 44.962 45.100 0.204 0.000 0.785 177 G HN 0.247 nan 8.290 nan 0.000 0.535 178 R N 0.411 120.946 120.500 0.058 0.000 2.532 178 R HA 0.467 4.807 4.340 -0.000 0.000 0.272 178 R C 0.550 176.851 176.300 0.002 0.000 1.032 178 R CA -0.258 55.857 56.100 0.026 0.000 1.089 178 R CB 0.805 31.118 30.300 0.022 0.000 1.098 178 R HN 0.181 nan 8.270 nan 0.000 0.526 179 T N -1.874 112.668 114.554 -0.020 0.000 2.816 179 T HA 0.232 4.582 4.350 -0.000 0.000 0.282 179 T C 1.512 176.190 174.700 -0.037 0.000 0.993 179 T CA -0.618 61.453 62.100 -0.048 0.000 0.994 179 T CB 0.598 69.428 68.868 -0.063 0.000 1.025 179 T HN 0.477 nan 8.240 nan 0.000 0.529 180 I N 0.241 120.777 120.570 -0.058 0.000 2.333 180 I HA -0.031 4.139 4.170 -0.000 0.000 0.246 180 I C 2.224 178.299 176.117 -0.069 0.000 1.106 180 I CA 0.694 61.969 61.300 -0.041 0.000 1.411 180 I CB -0.349 37.618 38.000 -0.055 0.000 1.082 180 I HN 0.455 nan 8.210 nan 0.000 0.420 181 L N 0.557 121.686 121.223 -0.157 0.000 2.093 181 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 181 L C 1.162 178.021 176.870 -0.018 0.000 1.085 181 L CA 1.426 56.161 54.840 -0.176 0.000 0.755 181 L CB -1.160 40.771 42.059 -0.214 0.000 0.904 181 L HN 0.435 nan 8.230 nan 0.000 0.435 182 G N -1.705 107.085 108.800 -0.018 0.000 2.756 182 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.678 182 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.678 182 G C -2.641 172.262 174.900 0.005 0.000 1.349 182 G CA -0.680 44.427 45.100 0.011 0.000 0.847 182 G HN 0.088 nan 8.290 nan 0.000 0.548 183 P HA 0.389 nan 4.420 nan 0.000 0.274 183 P C 1.494 178.806 177.300 0.020 0.000 1.237 183 P CA -0.791 62.313 63.100 0.008 0.000 0.793 183 P CB 0.482 32.187 31.700 0.009 0.000 0.977 184 I N 1.002 121.582 120.570 0.016 0.000 2.208 184 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 184 I C 2.178 178.313 176.117 0.030 0.000 1.097 184 I CA 1.793 63.107 61.300 0.023 0.000 1.363 184 I CB -1.046 36.964 38.000 0.017 0.000 1.051 184 I HN 0.598 nan 8.210 nan 0.000 0.413 185 K N 1.285 121.699 120.400 0.024 0.000 2.032 185 K HA -0.276 4.044 4.320 -0.000 0.000 0.218 185 K C 1.836 178.452 176.600 0.026 0.000 1.054 185 K CA 2.464 58.764 56.287 0.022 0.000 0.941 185 K CB -0.115 32.395 32.500 0.017 0.000 0.720 185 K HN 0.227 nan 8.250 nan 0.000 0.449 186 N N 0.528 119.246 118.700 0.030 0.000 2.244 186 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 186 N C 1.698 177.242 175.510 0.057 0.000 1.016 186 N CA 1.083 54.152 53.050 0.032 0.000 0.866 186 N CB -0.062 38.446 38.487 0.035 0.000 0.980 186 N HN 0.274 nan 8.380 nan 0.000 0.430 187 I N 0.498 121.123 120.570 0.091 0.000 2.454 187 I HA -0.218 3.952 4.170 -0.000 0.000 0.254 187 I C 1.595 177.804 176.117 0.154 0.000 1.156 187 I CA 1.102 62.505 61.300 0.172 0.000 1.433 187 I CB -0.048 38.030 38.000 0.129 0.000 1.082 187 I HN 0.122 nan 8.210 nan 0.000 0.432 188 K N 0.164 120.611 120.400 0.079 0.000 2.361 188 K HA 0.012 4.332 4.320 -0.000 0.000 0.196 188 K C 1.887 178.500 176.600 0.021 0.000 1.039 188 K CA 1.203 57.523 56.287 0.055 0.000 1.001 188 K CB 0.125 32.647 32.500 0.036 0.000 0.795 188 K HN 0.315 nan 8.250 nan 0.000 0.495 189 S N 0.029 115.731 115.700 0.004 0.000 2.523 189 S HA 0.172 4.642 4.470 -0.000 0.000 0.217 189 S C 0.713 175.272 174.600 -0.068 0.000 0.996 189 S CA -0.511 57.675 58.200 -0.024 0.000 0.921 189 S CB 0.098 63.291 63.200 -0.012 0.000 0.829 189 S HN -0.052 nan 8.310 nan 0.000 0.495 190 I N 4.491 124.992 120.570 -0.115 0.000 2.683 190 I HA 0.145 4.315 4.170 -0.000 0.000 0.286 190 I C 0.944 176.906 176.117 -0.259 0.000 1.175 190 I CA 0.677 61.843 61.300 -0.223 0.000 1.429 190 I CB 0.009 37.756 38.000 -0.421 0.000 1.371 190 I HN 0.412 nan 8.210 nan 0.000 0.569 191 T N 3.126 117.561 114.554 -0.199 0.000 2.932 191 T HA 0.392 4.742 4.350 -0.000 0.000 0.289 191 T C 1.009 175.612 174.700 -0.162 0.000 1.039 191 T CA -0.890 61.114 62.100 -0.160 0.000 1.024 191 T CB 2.065 70.878 68.868 -0.092 0.000 1.090 191 T HN 0.643 nan 8.240 nan 0.000 0.496 192 R N 0.410 120.834 120.500 -0.126 0.000 2.170 192 R HA -0.134 4.206 4.340 -0.000 0.000 0.242 192 R C 1.856 178.112 176.300 -0.074 0.000 1.145 192 R CA 2.214 58.256 56.100 -0.097 0.000 0.984 192 R CB -0.967 29.297 30.300 -0.060 0.000 0.869 192 R HN 0.831 nan 8.270 nan 0.000 0.455 193 T N 0.738 115.254 114.554 -0.064 0.000 2.737 193 T HA -0.106 4.244 4.350 -0.000 0.000 0.265 193 T C 1.102 175.777 174.700 -0.042 0.000 1.038 193 T CA 1.376 63.449 62.100 -0.044 0.000 1.144 193 T CB -0.296 68.550 68.868 -0.036 0.000 0.866 193 T HN 0.329 nan 8.240 nan 0.000 0.434 194 D N 1.393 121.759 120.400 -0.057 0.000 2.116 194 D HA -0.071 4.569 4.640 -0.000 0.000 0.193 194 D C 2.214 178.498 176.300 -0.026 0.000 0.998 194 D CA 0.927 54.902 54.000 -0.041 0.000 0.836 194 D CB -0.404 40.351 40.800 -0.076 0.000 0.951 194 D HN 0.317 nan 8.370 nan 0.000 0.449 195 L N 0.658 121.834 121.223 -0.078 0.000 1.989 195 L HA -0.189 4.150 4.340 -0.000 0.000 0.211 195 L C 2.466 179.322 176.870 -0.024 0.000 1.071 195 L CA 1.320 56.121 54.840 -0.065 0.000 0.749 195 L CB -0.451 41.549 42.059 -0.097 0.000 0.890 195 L HN -0.021 nan 8.230 nan 0.000 0.431 196 K N -0.347 120.031 120.400 -0.036 0.000 2.211 196 K HA -0.137 4.182 4.320 -0.000 0.000 0.203 196 K C 1.641 178.219 176.600 -0.037 0.000 1.050 196 K CA 0.982 57.244 56.287 -0.042 0.000 0.945 196 K CB -0.095 32.384 32.500 -0.036 0.000 0.732 196 K HN 0.360 nan 8.250 nan 0.000 0.451 197 D N 0.118 120.512 120.400 -0.010 0.000 2.103 197 D HA -0.159 4.481 4.640 -0.000 0.000 0.199 197 D C 1.763 178.060 176.300 -0.005 0.000 0.978 197 D CA 0.990 54.986 54.000 -0.008 0.000 0.829 197 D CB -0.203 40.601 40.800 0.007 0.000 0.981 197 D HN 0.148 nan 8.370 nan 0.000 0.464 198 Y N 1.919 122.164 120.300 -0.093 0.000 2.114 198 Y HA -0.221 4.329 4.550 -0.000 0.000 0.282 198 Y C 2.302 178.079 175.900 -0.205 0.000 1.165 198 Y CA 1.400 59.446 58.100 -0.092 0.000 1.148 198 Y CB -0.369 38.055 38.460 -0.060 0.000 0.972 198 Y HN -0.090 nan 8.280 nan 0.000 0.504 199 I N -0.989 119.496 120.570 -0.141 0.000 2.163 199 I HA -0.359 3.811 4.170 -0.000 0.000 0.243 199 I C 2.236 178.139 176.117 -0.358 0.000 1.085 199 I CA 1.917 62.862 61.300 -0.592 0.000 1.347 199 I CB -0.765 36.959 38.000 -0.459 0.000 1.044 199 I HN 0.230 nan 8.210 nan 0.000 0.408 200 T N 0.462 114.915 114.554 -0.168 0.000 2.777 200 T HA -0.214 4.136 4.350 -0.000 0.000 0.266 200 T C 1.945 176.605 174.700 -0.067 0.000 1.040 200 T CA 1.499 63.549 62.100 -0.083 0.000 1.141 200 T CB -0.139 68.698 68.868 -0.052 0.000 0.868 200 T HN 0.316 nan 8.240 nan 0.000 0.444 201 K N 0.799 121.139 120.400 -0.100 0.000 2.025 201 K HA -0.064 4.256 4.320 -0.000 0.000 0.207 201 K C 1.963 178.508 176.600 -0.092 0.000 1.049 201 K CA 1.302 57.532 56.287 -0.096 0.000 0.933 201 K CB 0.002 32.428 32.500 -0.123 0.000 0.714 201 K HN 0.203 nan 8.250 nan 0.000 0.438 202 N N -0.459 118.154 118.700 -0.145 0.000 2.336 202 N HA -0.072 4.668 4.740 -0.000 0.000 0.177 202 N C -0.055 175.580 175.510 0.208 0.000 1.018 202 N CA 0.480 53.508 53.050 -0.037 0.000 0.878 202 N CB 0.063 38.419 38.487 -0.217 0.000 0.997 202 N HN 0.127 nan 8.380 nan 0.000 0.433 203 Y N 2.657 122.929 120.300 -0.048 0.000 2.517 203 Y HA 0.126 4.676 4.550 -0.000 0.000 0.341 203 Y C 0.335 176.228 175.900 -0.012 0.000 1.247 203 Y CA -0.244 57.854 58.100 -0.002 0.000 1.774 203 Y CB -0.758 37.717 38.460 0.026 0.000 1.641 203 Y HN -0.298 nan 8.280 nan 0.000 0.457 204 K N 0.078 120.539 120.400 0.102 0.000 2.270 204 K HA 0.395 4.715 4.320 -0.000 0.000 0.255 204 K C 1.210 177.816 176.600 0.011 0.000 0.936 204 K CA -0.286 56.028 56.287 0.045 0.000 0.809 204 K CB 2.072 34.590 32.500 0.029 0.000 1.131 204 K HN 0.548 nan 8.250 nan 0.000 0.427 205 G N 2.452 111.254 108.800 0.003 0.000 2.556 205 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.220 205 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.220 205 G C 0.837 175.724 174.900 -0.021 0.000 1.156 205 G CA 1.393 46.485 45.100 -0.014 0.000 0.766 205 G HN 0.813 nan 8.290 nan 0.000 0.583 206 D N -0.076 120.319 120.400 -0.010 0.000 2.392 206 D HA -0.057 4.582 4.640 -0.000 0.000 0.228 206 D C 1.822 178.115 176.300 -0.011 0.000 1.003 206 D CA 0.373 54.367 54.000 -0.010 0.000 0.917 206 D CB -0.172 40.626 40.800 -0.003 0.000 0.890 206 D HN 0.346 nan 8.370 nan 0.000 0.532 207 R N -0.364 120.129 120.500 -0.012 0.000 2.543 207 R HA 0.310 4.650 4.340 -0.000 0.000 0.323 207 R C 0.117 176.403 176.300 -0.024 0.000 1.002 207 R CA -0.144 55.950 56.100 -0.009 0.000 1.106 207 R CB 0.481 30.783 30.300 0.005 0.000 1.280 207 R HN 0.283 nan 8.270 nan 0.000 0.549 208 M N -1.839 117.734 119.600 -0.044 0.000 2.575 208 M HA 0.564 5.044 4.480 -0.000 0.000 0.284 208 M C -1.102 175.153 176.300 -0.075 0.000 1.253 208 M CA -1.246 54.016 55.300 -0.063 0.000 0.861 208 M CB 2.463 34.990 32.600 -0.122 0.000 1.733 208 M HN -0.354 nan 8.290 nan 0.000 0.462 209 V N 2.140 122.024 119.914 -0.050 0.000 2.656 209 V HA 0.561 4.681 4.120 -0.000 0.000 0.307 209 V C -1.292 174.775 176.094 -0.045 0.000 1.051 209 V CA -0.666 61.592 62.300 -0.071 0.000 0.893 209 V CB 2.101 33.852 31.823 -0.119 0.000 0.999 209 V HN 0.790 nan 8.190 nan 0.000 0.426 210 L N 4.556 125.723 121.223 -0.094 0.000 2.277 210 L HA 0.866 5.206 4.340 -0.000 0.000 0.284 210 L C 0.198 177.069 176.870 0.002 0.000 1.028 210 L CA 0.037 54.836 54.840 -0.069 0.000 0.835 210 L CB 0.733 42.696 42.059 -0.161 0.000 1.215 210 L HN 0.809 nan 8.230 nan 0.000 0.425 211 A N 3.376 126.230 122.820 0.057 0.000 2.324 211 A HA 0.949 5.269 4.320 -0.000 0.000 0.330 211 A C -0.059 177.582 177.584 0.094 0.000 1.165 211 A CA 0.065 52.106 52.037 0.007 0.000 0.813 211 A CB 1.236 20.122 19.000 -0.189 0.000 1.197 211 A HN 0.843 nan 8.150 nan 0.000 0.484 212 G N -0.656 108.190 108.800 0.078 0.000 2.718 212 G HA2 0.815 4.775 3.960 -0.000 0.000 0.295 212 G HA3 0.815 4.775 3.960 -0.000 0.000 0.295 212 G C -0.951 173.998 174.900 0.081 0.000 1.421 212 G CA 0.153 45.314 45.100 0.101 0.000 0.902 212 G HN 1.812 nan 8.290 nan 0.000 0.501 213 A N -0.496 122.369 122.820 0.074 0.000 2.594 213 A HA 1.123 5.443 4.320 -0.000 0.000 0.295 213 A C 0.323 177.928 177.584 0.035 0.000 1.071 213 A CA 0.303 52.369 52.037 0.049 0.000 0.685 213 A CB 1.424 20.436 19.000 0.020 0.000 1.285 213 A HN 2.734 nan 8.150 nan 0.000 0.405 214 G N -0.525 108.269 108.800 -0.010 0.000 2.341 214 G HA2 0.470 4.430 3.960 -0.000 0.000 0.196 214 G HA3 0.470 4.430 3.960 -0.000 0.000 0.196 214 G C 0.355 175.219 174.900 -0.060 0.000 1.231 214 G CA 0.072 45.142 45.100 -0.051 0.000 1.155 214 G HN 2.290 nan 8.290 nan 0.000 0.529 215 A N 0.076 122.895 122.820 -0.003 0.000 2.981 215 A HA 0.589 4.909 4.320 -0.000 0.000 0.280 215 A C 0.109 177.800 177.584 0.178 0.000 1.743 215 A CA 0.570 52.663 52.037 0.094 0.000 1.430 215 A CB -0.728 18.319 19.000 0.079 0.000 1.085 215 A HN 1.734 nan 8.150 nan 0.000 0.597 216 V N 2.054 122.132 119.914 0.274 0.000 2.638 216 V HA 0.289 4.409 4.120 -0.000 0.000 0.306 216 V C -0.636 175.609 176.094 0.252 0.000 1.052 216 V CA -0.943 61.498 62.300 0.235 0.000 0.885 216 V CB 2.085 34.021 31.823 0.189 0.000 0.999 216 V HN 0.717 nan 8.190 nan 0.000 0.424 217 D N 2.399 122.907 120.400 0.180 0.000 2.359 217 D HA 0.167 4.807 4.640 -0.000 0.000 0.230 217 D C 1.000 177.388 176.300 0.147 0.000 1.118 217 D CA -0.096 53.982 54.000 0.129 0.000 0.844 217 D CB 0.883 41.741 40.800 0.097 0.000 1.059 217 D HN 0.777 nan 8.370 nan 0.000 0.493 218 H N 3.320 122.426 119.070 0.059 0.000 2.319 218 H HA -0.173 4.382 4.556 -0.000 0.000 0.299 218 H C 0.843 176.198 175.328 0.046 0.000 1.092 218 H CA 1.685 57.766 56.048 0.055 0.000 1.302 218 H CB 0.699 30.480 29.762 0.032 0.000 1.373 218 H HN 0.422 nan 8.280 nan 0.000 0.497 219 E N 0.751 120.925 120.200 -0.043 0.000 2.038 219 E HA -0.133 4.217 4.350 -0.000 0.000 0.195 219 E C 2.425 178.959 176.600 -0.109 0.000 1.000 219 E CA 1.375 57.714 56.400 -0.102 0.000 0.803 219 E CB -0.012 29.670 29.700 -0.029 0.000 0.750 219 E HN 0.435 nan 8.360 nan 0.000 0.448 220 K N -0.230 120.146 120.400 -0.039 0.000 2.063 220 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 220 K C 2.143 178.770 176.600 0.045 0.000 1.048 220 K CA 1.100 57.362 56.287 -0.042 0.000 0.928 220 K CB -0.264 32.298 32.500 0.103 0.000 0.713 220 K HN 0.089 nan 8.250 nan 0.000 0.442 221 L N 0.939 122.239 121.223 0.127 0.000 2.141 221 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 221 L C 1.936 178.857 176.870 0.086 0.000 1.094 221 L CA 1.253 56.218 54.840 0.208 0.000 0.763 221 L CB -0.062 42.081 42.059 0.140 0.000 0.908 221 L HN -0.101 nan 8.230 nan 0.000 0.437 222 V N -0.626 119.229 119.914 -0.098 0.000 2.427 222 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 222 V C 2.457 178.521 176.094 -0.049 0.000 1.051 222 V CA 1.839 64.073 62.300 -0.111 0.000 1.048 222 V CB -0.662 31.031 31.823 -0.215 0.000 0.666 222 V HN 0.545 nan 8.190 nan 0.000 0.456 223 Q N -0.940 118.792 119.800 -0.113 0.000 1.993 223 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 223 Q C 2.271 178.206 176.000 -0.108 0.000 0.984 223 Q CA 2.215 57.911 55.803 -0.177 0.000 0.837 223 Q CB -0.364 28.162 28.738 -0.354 0.000 0.902 223 Q HN 0.662 nan 8.270 nan 0.000 0.423 224 Y N 0.497 120.848 120.300 0.085 0.000 2.256 224 Y HA -0.248 4.302 4.550 -0.000 0.000 0.288 224 Y C 2.372 178.436 175.900 0.273 0.000 1.155 224 Y CA 0.964 59.181 58.100 0.196 0.000 1.203 224 Y CB -0.802 37.809 38.460 0.252 0.000 0.980 224 Y HN 0.177 nan 8.280 nan 0.000 0.530 225 A N -0.227 122.803 122.820 0.350 0.000 1.858 225 A HA -0.303 4.017 4.320 -0.000 0.000 0.216 225 A C 2.191 179.957 177.584 0.302 0.000 1.190 225 A CA 2.026 54.273 52.037 0.349 0.000 0.617 225 A CB -0.844 18.257 19.000 0.167 0.000 0.827 225 A HN 0.405 nan 8.150 nan 0.000 0.443 226 Q N 0.176 120.065 119.800 0.148 0.000 2.061 226 Q HA -0.206 4.134 4.340 -0.000 0.000 0.204 226 Q C 2.053 178.093 176.000 0.066 0.000 0.984 226 Q CA 2.542 58.398 55.803 0.088 0.000 0.846 226 Q CB -0.363 28.384 28.738 0.015 0.000 0.902 226 Q HN 0.670 nan 8.270 nan 0.000 0.421 227 K N -1.388 119.007 120.400 -0.008 0.000 2.044 227 K HA -0.207 4.112 4.320 -0.000 0.000 0.210 227 K C 1.444 177.889 176.600 -0.259 0.000 1.049 227 K CA 1.797 57.968 56.287 -0.194 0.000 0.927 227 K CB -0.220 32.059 32.500 -0.368 0.000 0.713 227 K HN 0.331 nan 8.250 nan 0.000 0.443 228 Y N -1.953 118.412 120.300 0.108 0.000 2.497 228 Y HA 0.150 4.699 4.550 -0.000 0.000 0.265 228 Y C 1.026 176.872 175.900 -0.089 0.000 1.111 228 Y CA 0.081 58.165 58.100 -0.027 0.000 1.288 228 Y CB 0.515 38.907 38.460 -0.114 0.000 1.082 228 Y HN -0.002 nan 8.280 nan 0.000 0.536 229 F N -1.707 118.411 119.950 0.280 0.000 2.728 229 F HA 0.320 4.847 4.527 -0.000 0.000 0.314 229 F C 2.159 177.989 175.800 0.050 0.000 1.094 229 F CA 0.059 58.150 58.000 0.151 0.000 1.217 229 F CB -0.123 38.928 39.000 0.085 0.000 1.056 229 F HN -0.045 nan 8.300 nan 0.000 0.577 230 G N 0.638 109.587 108.800 0.249 0.000 2.469 230 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.220 230 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.220 230 G C 1.579 176.546 174.900 0.110 0.000 1.136 230 G CA 1.400 46.584 45.100 0.141 0.000 0.759 230 G HN 0.547 nan 8.290 nan 0.000 0.562 231 H N -0.146 118.955 119.070 0.052 0.000 2.567 231 H HA 0.114 4.670 4.556 -0.000 0.000 0.276 231 H C 0.332 175.697 175.328 0.061 0.000 1.016 231 H CA 0.345 56.415 56.048 0.037 0.000 1.186 231 H CB -0.935 28.834 29.762 0.011 0.000 1.351 231 H HN 0.123 nan 8.280 nan 0.000 0.605 232 V N 3.945 123.644 119.914 -0.359 0.000 2.555 232 V HA 0.117 4.237 4.120 -0.000 0.000 0.286 232 V C -1.834 174.225 176.094 -0.058 0.000 1.044 232 V CA -1.351 60.808 62.300 -0.235 0.000 1.026 232 V CB 1.189 32.937 31.823 -0.125 0.000 0.981 232 V HN 0.258 nan 8.190 nan 0.000 0.480 233 P HA 0.085 nan 4.420 nan 0.000 0.266 233 P C -0.475 176.830 177.300 0.009 0.000 1.195 233 P CA -0.028 63.076 63.100 0.007 0.000 0.768 233 P CB 0.477 32.187 31.700 0.017 0.000 0.838 234 K N 1.923 122.329 120.400 0.009 0.000 2.098 234 K HA 0.338 4.657 4.320 -0.000 0.000 0.261 234 K C -0.071 176.534 176.600 0.009 0.000 0.987 234 K CA -0.462 55.830 56.287 0.008 0.000 0.916 234 K CB 0.561 33.065 32.500 0.007 0.000 1.039 234 K HN 0.345 nan 8.250 nan 0.000 0.455 235 S N 1.690 117.394 115.700 0.008 0.000 2.585 235 S HA -0.011 4.459 4.470 -0.000 0.000 0.273 235 S C 0.922 175.525 174.600 0.005 0.000 1.339 235 S CA -0.395 57.808 58.200 0.006 0.000 1.028 235 S CB 0.913 64.116 63.200 0.005 0.000 0.906 235 S HN 0.692 nan 8.310 nan 0.000 0.528 236 E N 0.930 121.132 120.200 0.004 0.000 2.216 236 E HA 0.011 4.361 4.350 -0.000 0.000 0.192 236 E C 0.015 176.617 176.600 0.003 0.000 0.988 236 E CA 0.465 56.867 56.400 0.003 0.000 0.834 236 E CB 0.055 29.757 29.700 0.003 0.000 0.772 236 E HN 0.263 nan 8.360 nan 0.000 0.479 237 S N 2.388 118.089 115.700 0.003 0.000 2.080 237 S HA 0.281 4.750 4.470 -0.000 0.000 0.162 237 S C -2.430 172.172 174.600 0.004 0.000 1.618 237 S CA -1.073 57.129 58.200 0.004 0.000 1.200 237 S CB 0.828 64.030 63.200 0.003 0.000 1.135 237 S HN 0.058 nan 8.310 nan 0.000 0.455 238 P HA 0.183 nan 4.420 nan 0.000 0.266 238 P C -0.730 176.572 177.300 0.004 0.000 1.195 238 P CA -0.249 62.853 63.100 0.004 0.000 0.768 238 P CB 0.574 32.275 31.700 0.003 0.000 0.838 239 V N 0.563 120.479 119.914 0.005 0.000 2.686 239 V HA 0.547 4.667 4.120 -0.000 0.000 0.306 239 V C -2.757 173.340 176.094 0.004 0.000 1.065 239 V CA -2.932 59.371 62.300 0.006 0.000 0.894 239 V CB 1.512 33.341 31.823 0.009 0.000 1.004 239 V HN 0.296 nan 8.190 nan 0.000 0.424 240 P HA 0.253 nan 4.420 nan 0.000 0.266 240 P C 1.138 178.438 177.300 0.001 0.000 1.195 240 P CA -0.016 63.085 63.100 0.001 0.000 0.768 240 P CB 0.650 32.352 31.700 0.002 0.000 0.838 241 L N 1.907 123.126 121.223 -0.006 0.000 2.197 241 L HA -0.236 4.104 4.340 -0.000 0.000 0.215 241 L C 2.369 179.240 176.870 0.001 0.000 1.095 241 L CA 2.083 56.919 54.840 -0.007 0.000 0.764 241 L CB -0.916 41.128 42.059 -0.025 0.000 0.897 241 L HN 0.613 nan 8.230 nan 0.000 0.436 242 G N -0.893 107.908 108.800 0.002 0.000 2.396 242 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.214 242 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.214 242 G C 0.778 175.695 174.900 0.028 0.000 1.166 242 G CA 0.452 45.560 45.100 0.014 0.000 0.793 242 G HN 0.464 nan 8.290 nan 0.000 0.533 243 S N 2.136 117.850 115.700 0.023 0.000 2.561 243 S HA 0.206 4.676 4.470 -0.000 0.000 0.294 243 S C -2.087 172.533 174.600 0.034 0.000 1.294 243 S CA -0.926 57.290 58.200 0.027 0.000 1.055 243 S CB 0.445 63.657 63.200 0.020 0.000 0.819 243 S HN 0.281 nan 8.310 nan 0.000 0.503 244 P HA 0.053 nan 4.420 nan 0.000 0.261 244 P C 0.524 177.844 177.300 0.035 0.000 1.183 244 P CA -0.163 62.962 63.100 0.041 0.000 0.761 244 P CB 0.555 32.279 31.700 0.039 0.000 0.785 245 R N 3.287 123.809 120.500 0.038 0.000 2.105 245 R HA -0.036 4.303 4.340 -0.000 0.000 0.239 245 R C 1.310 177.623 176.300 0.022 0.000 1.135 245 R CA 2.275 58.392 56.100 0.028 0.000 0.967 245 R CB -0.582 29.735 30.300 0.028 0.000 0.861 245 R HN 0.818 nan 8.270 nan 0.000 0.442 246 G N -2.317 106.498 108.800 0.025 0.000 2.579 246 G HA2 0.086 4.046 3.960 -0.000 0.000 0.080 246 G HA3 0.086 4.046 3.960 -0.000 0.000 0.080 246 G C -2.383 172.533 174.900 0.026 0.000 1.040 246 G CA -0.559 44.555 45.100 0.022 0.000 1.118 246 G HN 0.144 nan 8.290 nan 0.000 0.485 247 P HA 0.560 nan 4.420 nan 0.000 0.276 247 P C -0.374 176.948 177.300 0.036 0.000 1.253 247 P CA -0.463 62.655 63.100 0.031 0.000 0.766 247 P CB 0.701 32.418 31.700 0.028 0.000 0.845 248 L N 6.769 128.021 121.223 0.047 0.000 2.559 248 L HA 0.089 4.429 4.340 -0.000 0.000 0.282 248 L C -1.645 175.269 176.870 0.073 0.000 1.232 248 L CA -0.590 54.287 54.840 0.061 0.000 0.885 248 L CB -1.104 40.999 42.059 0.073 0.000 1.131 248 L HN 0.382 nan 8.230 nan 0.000 0.498 249 P HA 0.128 nan 4.420 nan 0.000 0.268 249 P C -1.090 176.330 177.300 0.200 0.000 1.208 249 P CA -0.224 62.936 63.100 0.100 0.000 0.777 249 P CB 0.743 32.442 31.700 -0.002 0.000 0.875 250 V N 4.086 124.142 119.914 0.236 0.000 2.487 250 V HA 0.463 4.583 4.120 -0.000 0.000 0.298 250 V C -1.090 175.149 176.094 0.241 0.000 1.028 250 V CA -1.062 61.371 62.300 0.222 0.000 0.860 250 V CB 0.700 32.606 31.823 0.139 0.000 0.991 250 V HN 0.328 nan 8.190 nan 0.000 0.427 251 F N 7.274 127.267 119.950 0.072 0.000 2.504 251 F HA 0.504 5.031 4.527 -0.000 0.000 0.369 251 F C 0.286 176.058 175.800 -0.047 0.000 1.082 251 F CA -0.136 57.835 58.000 -0.049 0.000 1.216 251 F CB 0.153 39.121 39.000 -0.055 0.000 1.108 251 F HN 0.602 nan 8.300 nan 0.000 0.554 252 C N 7.464 126.564 119.300 -0.332 0.000 2.298 252 C HA 0.476 4.936 4.460 -0.000 0.000 0.323 252 C C 0.006 174.885 174.990 -0.185 0.000 1.284 252 C CA -1.114 57.817 59.018 -0.145 0.000 1.577 252 C CB 0.325 27.983 27.740 -0.136 0.000 2.249 252 C HN 0.881 nan 8.230 nan 0.000 0.497 253 R N 2.484 123.016 120.500 0.053 0.000 2.590 253 R HA 0.642 4.982 4.340 -0.000 0.000 0.274 253 R C 0.116 176.412 176.300 -0.008 0.000 1.061 253 R CA 0.231 56.381 56.100 0.085 0.000 1.081 253 R CB 0.434 30.816 30.300 0.136 0.000 0.984 253 R HN 0.937 nan 8.270 nan 0.000 0.448 254 G N 1.166 109.952 108.800 -0.023 0.000 2.451 254 G HA2 0.347 4.307 3.960 -0.000 0.000 0.292 254 G HA3 0.347 4.307 3.960 -0.000 0.000 0.292 254 G C -1.903 172.955 174.900 -0.070 0.000 1.427 254 G CA -0.947 44.127 45.100 -0.043 0.000 0.792 254 G HN 0.784 nan 8.290 nan 0.000 0.498 255 E N -0.760 119.377 120.200 -0.105 0.000 2.366 255 E HA 0.723 5.073 4.350 -0.000 0.000 0.278 255 E C -1.129 175.311 176.600 -0.266 0.000 0.923 255 E CA -1.181 55.075 56.400 -0.240 0.000 0.761 255 E CB 2.969 32.480 29.700 -0.314 0.000 1.231 255 E HN 0.500 nan 8.360 nan 0.000 0.443 256 R N 2.650 122.919 120.500 -0.385 0.000 2.518 256 R HA 0.325 4.665 4.340 -0.000 0.000 0.296 256 R C -1.808 174.285 176.300 -0.344 0.000 1.080 256 R CA -0.603 55.349 56.100 -0.248 0.000 0.922 256 R CB 0.916 31.160 30.300 -0.094 0.000 1.184 256 R HN 0.474 nan 8.270 nan 0.000 0.445 257 F N 5.313 125.247 119.950 -0.027 0.000 2.405 257 F HA 0.453 4.980 4.527 -0.000 0.000 0.355 257 F C 0.527 176.291 175.800 -0.062 0.000 1.121 257 F CA -0.585 57.389 58.000 -0.043 0.000 1.112 257 F CB 1.327 40.309 39.000 -0.030 0.000 1.126 257 F HN 0.279 nan 8.300 nan 0.000 0.481 258 I N 4.099 124.717 120.570 0.079 0.000 2.388 258 I HA 0.194 4.364 4.170 -0.000 0.000 0.281 258 I C 0.002 176.128 176.117 0.014 0.000 1.046 258 I CA -0.728 60.569 61.300 -0.004 0.000 1.187 258 I CB 0.885 38.809 38.000 -0.128 0.000 1.351 258 I HN 0.497 nan 8.210 nan 0.000 0.472 259 K N 4.702 125.118 120.400 0.027 0.000 2.416 259 K HA 0.071 4.391 4.320 -0.000 0.000 0.283 259 K C -0.078 176.516 176.600 -0.011 0.000 1.037 259 K CA 0.415 56.704 56.287 0.004 0.000 0.995 259 K CB 0.529 33.027 32.500 -0.004 0.000 0.938 259 K HN 0.400 nan 8.250 nan 0.000 0.475 260 E N 3.869 124.055 120.200 -0.023 0.000 3.011 260 E HA 0.130 4.479 4.350 -0.000 0.000 0.315 260 E C -0.543 176.035 176.600 -0.036 0.000 1.176 260 E CA -0.237 56.145 56.400 -0.031 0.000 0.819 260 E CB -0.150 29.518 29.700 -0.052 0.000 1.508 260 E HN 0.601 nan 8.360 nan 0.000 0.381 261 N N 0.328 119.012 118.700 -0.027 0.000 2.513 261 N HA -0.150 4.590 4.740 -0.000 0.000 0.187 261 N C 1.458 176.953 175.510 -0.025 0.000 1.056 261 N CA 1.588 54.621 53.050 -0.027 0.000 0.907 261 N CB 0.105 38.578 38.487 -0.023 0.000 0.954 261 N HN 0.595 nan 8.380 nan 0.000 0.445 262 T N -1.431 113.109 114.554 -0.022 0.000 3.023 262 T HA 0.069 4.419 4.350 -0.000 0.000 0.266 262 T C 0.977 175.665 174.700 -0.021 0.000 1.093 262 T CA -0.018 62.074 62.100 -0.014 0.000 1.129 262 T CB -0.075 68.792 68.868 -0.002 0.000 0.899 262 T HN 0.021 nan 8.240 nan 0.000 0.491 263 L N 2.331 123.524 121.223 -0.050 0.000 2.410 263 L HA 0.232 4.571 4.340 -0.000 0.000 0.273 263 L C -1.329 175.512 176.870 -0.048 0.000 1.152 263 L CA -1.698 53.093 54.840 -0.082 0.000 0.855 263 L CB 1.102 43.050 42.059 -0.186 0.000 1.129 263 L HN 0.079 nan 8.230 nan 0.000 0.463 264 P HA -0.042 nan 4.420 nan 0.000 0.220 264 P C 0.173 177.467 177.300 -0.010 0.000 1.152 264 P CA 0.740 63.838 63.100 -0.004 0.000 0.812 264 P CB 0.185 31.900 31.700 0.025 0.000 0.792 265 T N -4.294 110.257 114.554 -0.006 0.000 2.908 265 T HA 0.610 4.960 4.350 -0.000 0.000 0.290 265 T C -0.397 174.262 174.700 -0.068 0.000 1.034 265 T CA -0.612 61.460 62.100 -0.045 0.000 1.010 265 T CB 1.553 70.399 68.868 -0.036 0.000 1.068 265 T HN -0.309 nan 8.240 nan 0.000 0.481 266 T N 1.961 116.419 114.554 -0.159 0.000 2.856 266 T HA 0.487 4.837 4.350 -0.000 0.000 0.283 266 T C -0.908 173.624 174.700 -0.280 0.000 1.008 266 T CA -0.705 61.344 62.100 -0.085 0.000 0.997 266 T CB 0.705 69.541 68.868 -0.053 0.000 0.992 266 T HN 0.676 nan 8.240 nan 0.000 0.454 267 H N 2.250 121.264 119.070 -0.095 0.000 2.547 267 H HA 0.525 5.081 4.556 -0.000 0.000 0.342 267 H C -0.950 174.327 175.328 -0.085 0.000 1.048 267 H CA -0.617 55.367 56.048 -0.106 0.000 1.204 267 H CB 1.573 31.354 29.762 0.031 0.000 1.493 267 H HN 0.320 nan 8.280 nan 0.000 0.511 268 I N 2.004 122.527 120.570 -0.079 0.000 2.545 268 I HA 0.493 4.662 4.170 -0.000 0.000 0.292 268 I C -0.247 175.894 176.117 0.040 0.000 1.040 268 I CA -0.569 60.721 61.300 -0.018 0.000 1.068 268 I CB 2.122 40.105 38.000 -0.027 0.000 1.251 268 I HN 0.615 nan 8.210 nan 0.000 0.424 269 A N 6.809 129.683 122.820 0.090 0.000 2.343 269 A HA 0.905 5.225 4.320 -0.000 0.000 0.308 269 A C -0.874 176.858 177.584 0.246 0.000 1.092 269 A CA -0.389 51.767 52.037 0.198 0.000 0.751 269 A CB 0.732 19.716 19.000 -0.027 0.000 1.203 269 A HN 0.642 nan 8.150 nan 0.000 0.452 270 I N 2.094 122.895 120.570 0.385 0.000 2.418 270 I HA 0.638 4.808 4.170 -0.000 0.000 0.287 270 I C 0.324 176.733 176.117 0.486 0.000 1.008 270 I CA -0.279 61.238 61.300 0.360 0.000 1.104 270 I CB 1.975 40.158 38.000 0.305 0.000 1.264 270 I HN 0.763 nan 8.210 nan 0.000 0.438 271 A N 6.646 129.730 122.820 0.440 0.000 2.479 271 A HA 0.990 5.310 4.320 -0.000 0.000 0.296 271 A C -1.368 176.450 177.584 0.390 0.000 1.121 271 A CA -0.472 51.838 52.037 0.455 0.000 0.743 271 A CB 1.737 21.086 19.000 0.581 0.000 1.323 271 A HN 0.546 nan 8.150 nan 0.000 0.415 272 L N -0.243 121.107 121.223 0.213 0.000 2.359 272 L HA 0.497 4.837 4.340 -0.000 0.000 0.256 272 L C 0.085 176.715 176.870 -0.400 0.000 1.026 272 L CA -0.517 54.180 54.840 -0.239 0.000 0.828 272 L CB 1.938 43.804 42.059 -0.321 0.000 1.406 272 L HN 0.898 nan 8.230 nan 0.000 0.413 273 E N 0.090 119.613 120.200 -1.129 0.000 2.480 273 E HA 0.323 4.673 4.350 -0.000 0.000 0.258 273 E C 0.234 176.706 176.600 -0.214 0.000 0.984 273 E CA 0.487 56.553 56.400 -0.557 0.000 0.930 273 E CB 0.698 30.043 29.700 -0.592 0.000 0.936 273 E HN 0.650 nan 8.360 nan 0.000 0.466 274 G N 3.201 112.036 108.800 0.057 0.000 2.975 274 G HA2 0.370 4.330 3.960 -0.000 0.000 0.159 274 G HA3 0.370 4.330 3.960 -0.000 0.000 0.159 274 G C -0.715 174.267 174.900 0.138 0.000 1.525 274 G CA -0.324 44.859 45.100 0.139 0.000 1.075 274 G HN 0.520 nan 8.290 nan 0.000 0.574 275 V N -0.360 119.655 119.914 0.169 0.000 2.914 275 V HA 0.622 4.742 4.120 -0.000 0.000 0.314 275 V C 0.113 176.252 176.094 0.074 0.000 1.084 275 V CA -0.335 62.059 62.300 0.156 0.000 0.963 275 V CB 2.200 34.148 31.823 0.208 0.000 1.025 275 V HN 1.057 nan 8.190 nan 0.000 0.432 276 S N 2.410 118.152 115.700 0.070 0.000 2.687 276 S HA 0.312 4.782 4.470 -0.000 0.000 0.283 276 S C 0.524 175.085 174.600 -0.066 0.000 1.170 276 S CA -0.371 57.816 58.200 -0.023 0.000 1.008 276 S CB 0.809 64.054 63.200 0.075 0.000 1.026 276 S HN 0.728 nan 8.310 nan 0.000 0.541 277 W N 1.070 122.319 121.300 -0.085 0.000 2.308 277 W HA -0.164 4.496 4.660 -0.000 0.000 0.301 277 W C 2.578 178.849 176.519 -0.414 0.000 1.220 277 W CA 1.359 58.478 57.345 -0.376 0.000 1.240 277 W CB -0.420 28.898 29.460 -0.238 0.000 1.142 277 W HN 0.880 nan 8.180 nan 0.000 0.521 278 S N -0.928 114.806 115.700 0.058 0.000 2.556 278 S HA 0.499 4.969 4.470 -0.000 0.000 0.216 278 S C 0.856 175.487 174.600 0.052 0.000 0.970 278 S CA -0.114 58.105 58.200 0.031 0.000 0.912 278 S CB -0.497 62.742 63.200 0.064 0.000 0.790 278 S HN 0.139 nan 8.310 nan 0.000 0.504 279 A N 3.090 125.953 122.820 0.071 0.000 2.561 279 A HA 0.382 4.702 4.320 -0.000 0.000 0.234 279 A C -1.007 176.654 177.584 0.128 0.000 1.055 279 A CA -0.937 51.166 52.037 0.109 0.000 0.756 279 A CB -0.136 18.951 19.000 0.144 0.000 0.986 279 A HN 0.277 nan 8.150 nan 0.000 0.505 280 P HA -0.097 nan 4.420 nan 0.000 0.220 280 P C 0.376 177.769 177.300 0.156 0.000 1.148 280 P CA 1.461 64.640 63.100 0.131 0.000 0.803 280 P CB 0.098 31.852 31.700 0.089 0.000 0.782 281 D N -2.420 118.069 120.400 0.148 0.000 2.358 281 D HA -0.070 4.570 4.640 -0.000 0.000 0.224 281 D C 1.474 177.787 176.300 0.022 0.000 1.123 281 D CA -0.531 53.544 54.000 0.126 0.000 0.833 281 D CB -1.028 39.926 40.800 0.256 0.000 0.946 281 D HN 0.149 nan 8.370 nan 0.000 0.505 282 Y N 1.334 121.575 120.300 -0.098 0.000 2.081 282 Y HA -0.255 4.295 4.550 -0.000 0.000 0.280 282 Y C 1.379 177.052 175.900 -0.379 0.000 1.163 282 Y CA 1.811 59.738 58.100 -0.289 0.000 1.135 282 Y CB -0.467 37.709 38.460 -0.472 0.000 0.970 282 Y HN -0.112 nan 8.280 nan 0.000 0.498 283 F N -1.192 118.677 119.950 -0.136 0.000 2.259 283 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 283 F C 2.387 177.998 175.800 -0.315 0.000 1.088 283 F CA 1.205 59.056 58.000 -0.249 0.000 1.358 283 F CB -1.034 37.937 39.000 -0.049 0.000 1.040 283 F HN -0.119 nan 8.300 nan 0.000 0.505 284 V N 0.060 119.884 119.914 -0.149 0.000 2.407 284 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 284 V C 2.585 178.256 176.094 -0.704 0.000 1.055 284 V CA 1.702 63.813 62.300 -0.315 0.000 1.049 284 V CB -1.308 30.365 31.823 -0.250 0.000 0.662 284 V HN 0.360 nan 8.190 nan 0.000 0.455 285 A N -0.288 121.949 122.820 -0.972 0.000 1.902 285 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 285 A C 2.212 179.453 177.584 -0.571 0.000 1.181 285 A CA 1.624 52.851 52.037 -1.349 0.000 0.623 285 A CB -0.467 18.039 19.000 -0.823 0.000 0.818 285 A HN 0.494 nan 8.150 nan 0.000 0.443 286 L N -0.974 119.974 121.223 -0.458 0.000 2.093 286 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 286 L C 3.100 179.872 176.870 -0.164 0.000 1.085 286 L CA 0.942 55.614 54.840 -0.280 0.000 0.755 286 L CB -0.614 41.252 42.059 -0.322 0.000 0.904 286 L HN 0.467 nan 8.230 nan 0.000 0.435 287 A N -0.088 122.621 122.820 -0.185 0.000 1.877 287 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 287 A C 2.347 179.886 177.584 -0.074 0.000 1.186 287 A CA 2.358 54.329 52.037 -0.112 0.000 0.620 287 A CB -0.890 18.041 19.000 -0.115 0.000 0.822 287 A HN 0.375 nan 8.150 nan 0.000 0.443 288 T N -0.375 114.098 114.554 -0.134 0.000 2.746 288 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 288 T C 2.058 176.891 174.700 0.222 0.000 1.039 288 T CA 1.514 63.627 62.100 0.022 0.000 1.142 288 T CB -0.285 68.512 68.868 -0.118 0.000 0.866 288 T HN 0.644 nan 8.240 nan 0.000 0.444 289 Q N 0.871 120.797 119.800 0.211 0.000 2.061 289 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 289 Q C 2.508 178.515 176.000 0.013 0.000 0.984 289 Q CA 1.738 57.542 55.803 0.001 0.000 0.846 289 Q CB -0.349 28.267 28.738 -0.204 0.000 0.902 289 Q HN 0.550 nan 8.270 nan 0.000 0.421 290 A N 0.623 123.451 122.820 0.013 0.000 1.972 290 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 290 A C 1.978 179.600 177.584 0.064 0.000 1.169 290 A CA 1.157 53.212 52.037 0.029 0.000 0.635 290 A CB -0.578 18.427 19.000 0.008 0.000 0.810 290 A HN 0.514 nan 8.150 nan 0.000 0.446 291 I N -0.604 120.014 120.570 0.080 0.000 2.394 291 I HA -0.184 3.985 4.170 -0.000 0.000 0.251 291 I C 2.176 178.371 176.117 0.130 0.000 1.136 291 I CA 0.920 62.277 61.300 0.095 0.000 1.425 291 I CB -0.019 38.039 38.000 0.097 0.000 1.079 291 I HN 0.176 nan 8.210 nan 0.000 0.425 292 V N 0.367 120.382 119.914 0.167 0.000 2.407 292 V HA 0.070 4.190 4.120 -0.000 0.000 0.245 292 V C 1.505 177.718 176.094 0.198 0.000 1.041 292 V CA 1.077 63.487 62.300 0.184 0.000 1.040 292 V CB -1.277 30.694 31.823 0.247 0.000 0.671 292 V HN 0.669 nan 8.190 nan 0.000 0.455 293 G N 1.008 109.909 108.800 0.169 0.000 2.601 293 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.261 293 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.261 293 G C -0.295 174.786 174.900 0.302 0.000 1.289 293 G CA 0.259 45.471 45.100 0.186 0.000 0.920 293 G HN 0.489 nan 8.290 nan 0.000 0.571 294 N N -1.319 117.516 118.700 0.224 0.000 2.653 294 N HA 0.727 5.467 4.740 -0.000 0.000 0.294 294 N C -1.196 174.245 175.510 -0.116 0.000 1.305 294 N CA -0.003 53.116 53.050 0.116 0.000 0.827 294 N CB 2.057 40.578 38.487 0.058 0.000 1.415 294 N HN 0.989 nan 8.380 nan 0.000 0.546 295 W N 0.371 121.233 121.300 -0.730 0.000 3.707 295 W HA 0.295 4.955 4.660 -0.000 0.000 0.294 295 W C -2.204 174.024 176.519 -0.485 0.000 1.248 295 W CA -0.424 56.512 57.345 -0.682 0.000 1.217 295 W CB 1.108 29.933 29.460 -1.059 0.000 1.306 295 W HN 0.289 nan 8.180 nan 0.000 0.532 296 D N 4.900 124.620 120.400 -1.133 0.000 2.649 296 D HA 0.228 4.868 4.640 -0.000 0.000 0.249 296 D C 0.915 176.180 176.300 -1.725 0.000 1.112 296 D CA -0.459 52.880 54.000 -1.102 0.000 0.850 296 D CB 2.189 42.664 40.800 -0.541 0.000 1.399 296 D HN 0.729 nan 8.370 nan 0.000 0.503 297 R N 2.718 122.247 120.500 -1.617 0.000 2.133 297 R HA -0.222 4.118 4.340 -0.000 0.000 0.247 297 R C 1.475 177.481 176.300 -0.490 0.000 1.151 297 R CA 2.260 57.739 56.100 -1.035 0.000 0.971 297 R CB 0.070 30.154 30.300 -0.360 0.000 0.866 297 R HN 0.469 nan 8.270 nan 0.000 0.447 298 A N 0.215 122.791 122.820 -0.408 0.000 1.901 298 A HA 0.057 4.377 4.320 -0.000 0.000 0.210 298 A C 1.942 179.396 177.584 -0.217 0.000 1.208 298 A CA 0.428 52.328 52.037 -0.229 0.000 0.644 298 A CB 0.044 18.947 19.000 -0.161 0.000 0.863 298 A HN 0.213 nan 8.150 nan 0.000 0.454 299 I N -1.020 119.384 120.570 -0.277 0.000 2.584 299 I HA 0.165 4.335 4.170 -0.000 0.000 0.255 299 I C 1.653 177.651 176.117 -0.200 0.000 1.145 299 I CA 1.567 62.744 61.300 -0.205 0.000 1.462 299 I CB -1.745 36.145 38.000 -0.184 0.000 1.102 299 I HN 0.515 nan 8.210 nan 0.000 0.433 300 G N 1.311 109.902 108.800 -0.348 0.000 2.464 300 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 300 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 300 G C 0.639 175.456 174.900 -0.138 0.000 1.186 300 G CA 0.440 45.428 45.100 -0.186 0.000 1.010 300 G HN 0.250 nan 8.290 nan 0.000 0.585 301 T N -2.082 112.500 114.554 0.047 0.000 3.014 301 T HA 0.469 4.819 4.350 -0.000 0.000 0.250 301 T C 2.373 177.087 174.700 0.022 0.000 1.060 301 T CA 1.681 63.822 62.100 0.068 0.000 1.040 301 T CB 0.459 69.413 68.868 0.144 0.000 0.971 301 T HN 2.813 nan 8.240 nan 0.000 0.497 302 G N 1.042 109.846 108.800 0.007 0.000 2.160 302 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.244 302 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.244 302 G C 0.043 174.956 174.900 0.021 0.000 1.022 302 G CA 0.279 45.381 45.100 0.003 0.000 0.741 302 G HN 0.796 nan 8.290 nan 0.000 0.508 303 T N -0.631 113.944 114.554 0.036 0.000 2.900 303 T HA 0.425 4.775 4.350 -0.000 0.000 0.295 303 T C 1.082 175.806 174.700 0.040 0.000 1.044 303 T CA -0.074 62.050 62.100 0.041 0.000 0.995 303 T CB 1.712 70.614 68.868 0.057 0.000 1.072 303 T HN 0.148 nan 8.240 nan 0.000 0.473 304 N N 0.988 119.708 118.700 0.034 0.000 2.244 304 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 304 N C -0.145 175.387 175.510 0.037 0.000 1.016 304 N CA 0.598 53.666 53.050 0.031 0.000 0.866 304 N CB 0.275 38.778 38.487 0.025 0.000 0.980 304 N HN 0.373 nan 8.380 nan 0.000 0.430 305 S N 1.608 117.333 115.700 0.042 0.000 2.707 305 S HA 0.449 4.918 4.470 -0.000 0.000 0.312 305 S C -2.584 172.050 174.600 0.057 0.000 1.116 305 S CA -0.948 57.279 58.200 0.044 0.000 1.078 305 S CB 2.197 65.418 63.200 0.036 0.000 0.997 305 S HN 0.144 nan 8.310 nan 0.000 0.477 306 P HA 0.265 nan 4.420 nan 0.000 0.275 306 P C -0.074 177.263 177.300 0.062 0.000 1.228 306 P CA -0.481 62.669 63.100 0.084 0.000 0.786 306 P CB 0.570 32.331 31.700 0.101 0.000 0.927 307 S N 2.325 118.068 115.700 0.072 0.000 2.624 307 S HA 0.234 4.704 4.470 -0.000 0.000 0.263 307 S C -1.698 172.910 174.600 0.013 0.000 1.287 307 S CA -0.812 57.418 58.200 0.050 0.000 0.990 307 S CB -0.009 63.232 63.200 0.069 0.000 0.950 307 S HN 0.221 nan 8.310 nan 0.000 0.561 308 P HA -0.074 nan 4.420 nan 0.000 0.218 308 P C 1.607 178.865 177.300 -0.070 0.000 1.148 308 P CA 0.470 63.551 63.100 -0.031 0.000 0.822 308 P CB -0.041 31.645 31.700 -0.025 0.000 0.784 309 L N -0.149 121.027 121.223 -0.078 0.000 2.017 309 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 309 L C 2.197 178.968 176.870 -0.165 0.000 1.073 309 L CA 2.166 56.913 54.840 -0.154 0.000 0.745 309 L CB -1.571 40.361 42.059 -0.212 0.000 0.894 309 L HN -0.114 nan 8.230 nan 0.000 0.432 310 A N -1.040 121.740 122.820 -0.066 0.000 1.933 310 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 310 A C 2.272 179.659 177.584 -0.328 0.000 1.175 310 A CA 1.938 53.850 52.037 -0.208 0.000 0.628 310 A CB -1.106 17.919 19.000 0.042 0.000 0.814 310 A HN 0.335 nan 8.150 nan 0.000 0.444 311 V N -0.219 119.609 119.914 -0.143 0.000 2.261 311 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 311 V C 3.083 179.082 176.094 -0.158 0.000 1.047 311 V CA 1.961 64.201 62.300 -0.102 0.000 1.015 311 V CB -1.207 30.590 31.823 -0.045 0.000 0.642 311 V HN 0.616 nan 8.190 nan 0.000 0.446 312 A N -0.016 122.700 122.820 -0.173 0.000 1.908 312 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 312 A C 2.419 179.848 177.584 -0.258 0.000 1.181 312 A CA 2.217 54.150 52.037 -0.174 0.000 0.627 312 A CB -0.850 18.055 19.000 -0.159 0.000 0.818 312 A HN 0.600 nan 8.150 nan 0.000 0.445 313 A N 0.158 122.712 122.820 -0.443 0.000 1.940 313 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 313 A C 2.443 179.656 177.584 -0.618 0.000 1.176 313 A CA 2.381 54.005 52.037 -0.689 0.000 0.631 313 A CB -0.820 17.427 19.000 -1.254 0.000 0.814 313 A HN 1.088 nan 8.150 nan 0.000 0.446 314 S N -1.140 114.291 115.700 -0.448 0.000 2.528 314 S HA 0.095 4.565 4.470 -0.000 0.000 0.219 314 S C 0.861 175.487 174.600 0.042 0.000 0.985 314 S CA -0.113 58.106 58.200 0.032 0.000 0.914 314 S CB -0.205 63.145 63.200 0.250 0.000 0.776 314 S HN 0.649 nan 8.310 nan 0.000 0.526 315 Q N 2.381 122.160 119.800 -0.035 0.000 2.382 315 Q HA 0.211 4.550 4.340 -0.000 0.000 0.229 315 Q C -0.188 175.819 176.000 0.011 0.000 1.006 315 Q CA -0.250 55.550 55.803 -0.005 0.000 0.916 315 Q CB 0.241 28.962 28.738 -0.027 0.000 1.235 315 Q HN 0.667 nan 8.270 nan 0.000 0.512 316 N N 0.400 119.111 118.700 0.018 0.000 2.726 316 N HA -0.309 4.431 4.740 -0.000 0.000 0.287 316 N C 0.428 175.962 175.510 0.040 0.000 1.052 316 N CA 0.732 53.796 53.050 0.023 0.000 0.805 316 N CB -1.466 37.027 38.487 0.010 0.000 0.944 316 N HN 1.037 nan 8.380 nan 0.000 0.574 317 G N -0.516 108.318 108.800 0.057 0.000 2.253 317 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.251 317 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.251 317 G C 0.085 175.072 174.900 0.145 0.000 0.998 317 G CA 1.179 46.325 45.100 0.077 0.000 0.621 317 G HN 2.522 nan 8.290 nan 0.000 0.524 318 S N -2.460 113.331 115.700 0.152 0.000 2.996 318 S HA -0.024 4.446 4.470 -0.000 0.000 0.849 318 S C 0.237 174.940 174.600 0.171 0.000 0.950 318 S CA 0.476 58.801 58.200 0.210 0.000 1.370 318 S CB -1.059 62.363 63.200 0.371 0.000 0.976 318 S HN 1.370 nan 8.310 nan 0.000 0.237 319 L N 1.268 122.458 121.223 -0.055 0.000 2.766 319 L HA 0.721 5.061 4.340 -0.000 0.000 0.242 319 L C 0.983 177.468 176.870 -0.642 0.000 1.136 319 L CA 0.545 55.275 54.840 -0.184 0.000 0.933 319 L CB 0.105 42.059 42.059 -0.174 0.000 1.241 319 L HN 1.198 nan 8.230 nan 0.000 0.522 320 A N -0.887 121.464 122.820 -0.783 0.000 2.515 320 A HA 0.389 4.709 4.320 -0.000 0.000 0.292 320 A C -0.514 177.022 177.584 -0.081 0.000 1.065 320 A CA -0.539 51.048 52.037 -0.750 0.000 0.641 320 A CB 0.518 19.391 19.000 -0.211 0.000 1.306 320 A HN -0.103 nan 8.150 nan 0.000 0.441 321 N N 0.040 118.748 118.700 0.013 0.000 2.336 321 N HA 0.149 4.888 4.740 -0.000 0.000 0.177 321 N C 0.424 175.899 175.510 -0.059 0.000 1.018 321 N CA 1.590 54.663 53.050 0.038 0.000 0.878 321 N CB 0.154 38.643 38.487 0.003 0.000 0.997 321 N HN 1.143 nan 8.380 nan 0.000 0.433 322 S N -1.095 114.625 115.700 0.034 0.000 2.595 322 S HA 0.531 5.001 4.470 -0.000 0.000 0.270 322 S C -1.741 172.945 174.600 0.144 0.000 1.145 322 S CA -1.046 57.167 58.200 0.022 0.000 0.825 322 S CB 1.252 64.387 63.200 -0.109 0.000 1.107 322 S HN 0.220 nan 8.310 nan 0.000 0.461 323 Y N -0.498 119.921 120.300 0.198 0.000 2.534 323 Y HA 0.844 5.394 4.550 -0.000 0.000 0.345 323 Y C -0.985 175.023 175.900 0.179 0.000 1.031 323 Y CA -1.494 56.679 58.100 0.123 0.000 1.022 323 Y CB 1.589 40.099 38.460 0.083 0.000 1.292 323 Y HN 1.037 nan 8.280 nan 0.000 0.459 324 M N 3.516 123.403 119.600 0.478 0.000 2.213 324 M HA 0.584 5.064 4.480 -0.000 0.000 0.286 324 M C -1.656 174.900 176.300 0.426 0.000 1.008 324 M CA -0.379 55.174 55.300 0.422 0.000 0.937 324 M CB 1.942 34.790 32.600 0.413 0.000 1.600 324 M HN 0.817 nan 8.290 nan 0.000 0.450 325 S N 4.835 120.702 115.700 0.279 0.000 2.548 325 S HA 0.633 5.103 4.470 -0.000 0.000 0.277 325 S C -0.802 173.824 174.600 0.043 0.000 1.315 325 S CA -0.371 57.862 58.200 0.055 0.000 1.050 325 S CB 0.278 63.437 63.200 -0.068 0.000 0.918 325 S HN 0.524 nan 8.310 nan 0.000 0.497 326 F N -0.062 119.800 119.950 -0.148 0.000 2.613 326 F HA 0.869 5.395 4.527 -0.000 0.000 0.314 326 F C -0.441 175.188 175.800 -0.286 0.000 1.075 326 F CA -1.052 56.860 58.000 -0.146 0.000 0.945 326 F CB 1.497 40.489 39.000 -0.013 0.000 1.310 326 F HN 0.418 nan 8.300 nan 0.000 0.467 327 S N 0.818 116.528 115.700 0.018 0.000 2.614 327 S HA 0.707 5.177 4.470 -0.000 0.000 0.275 327 S C -1.543 173.088 174.600 0.052 0.000 1.161 327 S CA -0.275 57.902 58.200 -0.040 0.000 0.969 327 S CB 1.492 64.608 63.200 -0.140 0.000 1.059 327 S HN 0.918 nan 8.310 nan 0.000 0.482 328 T N 3.523 118.116 114.554 0.064 0.000 2.841 328 T HA 0.686 5.036 4.350 -0.000 0.000 0.283 328 T C -0.831 173.631 174.700 -0.398 0.000 1.000 328 T CA -0.516 61.488 62.100 -0.160 0.000 0.977 328 T CB 1.726 70.536 68.868 -0.097 0.000 0.979 328 T HN 0.503 nan 8.240 nan 0.000 0.446 329 S N 1.316 116.539 115.700 -0.795 0.000 2.568 329 S HA 0.817 5.286 4.470 -0.000 0.000 0.293 329 S C -1.565 172.204 174.600 -1.385 0.000 1.089 329 S CA -0.652 56.893 58.200 -1.091 0.000 0.945 329 S CB 0.941 63.322 63.200 -1.366 0.000 1.077 329 S HN 0.578 nan 8.310 nan 0.000 0.485 330 Y N -0.407 119.603 120.300 -0.483 0.000 2.638 330 Y HA 0.593 5.143 4.550 -0.000 0.000 0.339 330 Y C 1.063 177.019 175.900 0.093 0.000 1.084 330 Y CA -1.019 57.060 58.100 -0.035 0.000 1.068 330 Y CB 0.691 39.187 38.460 0.061 0.000 1.294 330 Y HN 0.686 nan 8.280 nan 0.000 0.480 331 A N 0.126 123.282 122.820 0.560 0.000 1.978 331 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 331 A C 0.875 178.600 177.584 0.234 0.000 1.170 331 A CA 2.415 54.702 52.037 0.415 0.000 0.636 331 A CB -0.690 18.485 19.000 0.292 0.000 0.810 331 A HN 0.787 nan 8.150 nan 0.000 0.448 332 D N -2.835 117.685 120.400 0.200 0.000 2.513 332 D HA 0.385 5.025 4.640 -0.000 0.000 0.222 332 D C 0.220 176.615 176.300 0.158 0.000 1.210 332 D CA 0.553 54.639 54.000 0.143 0.000 0.825 332 D CB 0.052 40.912 40.800 0.101 0.000 1.037 332 D HN 0.189 nan 8.370 nan 0.000 0.506 333 S N -1.709 114.117 115.700 0.208 0.000 2.655 333 S HA 0.754 5.224 4.470 -0.000 0.000 0.266 333 S C -1.369 173.399 174.600 0.279 0.000 1.149 333 S CA -0.230 58.131 58.200 0.269 0.000 0.818 333 S CB 1.201 64.603 63.200 0.337 0.000 1.130 333 S HN 0.507 nan 8.310 nan 0.000 0.476 334 G N 0.401 109.396 108.800 0.325 0.000 2.601 334 G HA2 0.595 4.555 3.960 -0.000 0.000 0.291 334 G HA3 0.595 4.555 3.960 -0.000 0.000 0.291 334 G C -2.364 172.720 174.900 0.307 0.000 1.456 334 G CA -0.614 44.613 45.100 0.212 0.000 0.804 334 G HN 0.749 nan 8.290 nan 0.000 0.499 335 L N -0.120 121.269 121.223 0.276 0.000 2.386 335 L HA 0.698 5.038 4.340 -0.000 0.000 0.271 335 L C -1.361 175.725 176.870 0.360 0.000 0.993 335 L CA -0.645 54.422 54.840 0.378 0.000 0.819 335 L CB 2.745 45.068 42.059 0.439 0.000 1.294 335 L HN 0.686 nan 8.230 nan 0.000 0.414 336 W N 3.126 124.434 121.300 0.013 0.000 2.957 336 W HA 0.700 5.360 4.660 -0.000 0.000 0.336 336 W C -0.168 176.060 176.519 -0.485 0.000 1.087 336 W CA 0.009 57.200 57.345 -0.257 0.000 1.235 336 W CB 2.084 31.492 29.460 -0.085 0.000 1.399 336 W HN 0.625 nan 8.180 nan 0.000 0.480 337 G N 3.271 111.341 108.800 -1.216 0.000 2.364 337 G HA2 0.429 4.389 3.960 -0.000 0.000 0.286 337 G HA3 0.429 4.389 3.960 -0.000 0.000 0.286 337 G C -2.109 172.428 174.900 -0.605 0.000 1.241 337 G CA -1.011 43.670 45.100 -0.698 0.000 0.887 337 G HN 0.510 nan 8.290 nan 0.000 0.484 338 M N -0.039 119.674 119.600 0.188 0.000 2.535 338 M HA 0.795 5.275 4.480 -0.000 0.000 0.314 338 M C -1.971 174.708 176.300 0.631 0.000 1.153 338 M CA -1.154 54.354 55.300 0.347 0.000 0.924 338 M CB 2.007 34.695 32.600 0.146 0.000 1.710 338 M HN 0.670 nan 8.290 nan 0.000 0.451 339 Y N 5.066 125.642 120.300 0.460 0.000 2.331 339 Y HA 0.778 5.328 4.550 -0.000 0.000 0.334 339 Y C -1.711 174.323 175.900 0.224 0.000 0.960 339 Y CA -1.245 57.046 58.100 0.318 0.000 1.130 339 Y CB 0.943 39.619 38.460 0.360 0.000 1.164 339 Y HN 0.697 nan 8.280 nan 0.000 0.458 340 I N 6.301 126.638 120.570 -0.389 0.000 2.603 340 I HA 0.606 4.776 4.170 -0.000 0.000 0.300 340 I C -1.101 174.673 176.117 -0.571 0.000 1.017 340 I CA -1.302 59.797 61.300 -0.334 0.000 1.098 340 I CB 2.078 39.987 38.000 -0.152 0.000 1.279 340 I HN 0.297 nan 8.210 nan 0.000 0.437 341 V N 3.318 122.998 119.914 -0.390 0.000 2.525 341 V HA 0.526 4.646 4.120 -0.000 0.000 0.299 341 V C -0.047 175.905 176.094 -0.238 0.000 1.034 341 V CA -0.397 61.642 62.300 -0.435 0.000 0.863 341 V CB 1.942 33.544 31.823 -0.368 0.000 0.999 341 V HN 0.941 nan 8.190 nan 0.000 0.423 342 T N -0.159 114.268 114.554 -0.212 0.000 2.930 342 T HA 0.505 4.855 4.350 -0.000 0.000 0.290 342 T C -0.801 173.948 174.700 0.082 0.000 1.052 342 T CA -0.739 61.353 62.100 -0.013 0.000 1.017 342 T CB 2.151 71.021 68.868 0.004 0.000 1.137 342 T HN 0.531 nan 8.240 nan 0.000 0.511 343 D N 0.552 121.155 120.400 0.339 0.000 2.317 343 D HA 0.214 4.854 4.640 -0.000 0.000 0.252 343 D C 0.958 177.262 176.300 0.008 0.000 1.174 343 D CA -0.189 53.853 54.000 0.070 0.000 0.866 343 D CB 1.407 42.146 40.800 -0.101 0.000 1.127 343 D HN 0.537 nan 8.370 nan 0.000 0.467 344 S N 3.406 119.093 115.700 -0.022 0.000 2.440 344 S HA -0.113 4.357 4.470 -0.000 0.000 0.238 344 S C 1.239 175.814 174.600 -0.043 0.000 1.010 344 S CA 0.740 58.922 58.200 -0.030 0.000 0.972 344 S CB 0.081 63.261 63.200 -0.035 0.000 0.774 344 S HN 0.575 nan 8.310 nan 0.000 0.501 345 N N -0.087 118.575 118.700 -0.063 0.000 2.220 345 N HA 0.143 4.883 4.740 -0.000 0.000 0.195 345 N C 1.067 176.513 175.510 -0.107 0.000 1.123 345 N CA 0.310 53.317 53.050 -0.071 0.000 0.874 345 N CB 0.476 38.926 38.487 -0.061 0.000 0.995 345 N HN 0.228 nan 8.380 nan 0.000 0.498 346 E N -0.235 119.856 120.200 -0.182 0.000 2.421 346 E HA 0.170 4.520 4.350 -0.000 0.000 0.209 346 E C -0.472 175.940 176.600 -0.313 0.000 0.871 346 E CA 0.412 56.638 56.400 -0.291 0.000 1.064 346 E CB 0.400 29.832 29.700 -0.447 0.000 1.075 346 E HN 0.366 nan 8.360 nan 0.000 0.513 347 H N -0.241 118.812 119.070 -0.028 0.000 2.457 347 H HA 0.374 4.930 4.556 -0.000 0.000 0.335 347 H C -0.471 174.831 175.328 -0.044 0.000 1.115 347 H CA -0.922 55.107 56.048 -0.031 0.000 1.219 347 H CB 0.995 30.741 29.762 -0.028 0.000 1.471 347 H HN -0.137 nan 8.280 nan 0.000 0.491 348 N N 3.122 121.881 118.700 0.098 0.000 2.469 348 N HA -0.007 4.732 4.740 -0.000 0.000 0.239 348 N C 0.706 176.211 175.510 -0.008 0.000 1.053 348 N CA -0.026 53.033 53.050 0.015 0.000 0.937 348 N CB 0.711 39.194 38.487 -0.006 0.000 1.163 348 N HN 0.429 nan 8.380 nan 0.000 0.509 349 V N 4.370 124.269 119.914 -0.025 0.000 2.380 349 V HA -0.274 3.846 4.120 -0.000 0.000 0.251 349 V C 2.506 178.548 176.094 -0.087 0.000 1.063 349 V CA 1.864 64.132 62.300 -0.055 0.000 1.055 349 V CB -0.590 31.204 31.823 -0.049 0.000 0.657 349 V HN 0.685 nan 8.190 nan 0.000 0.455 350 R N -0.262 120.172 120.500 -0.110 0.000 2.103 350 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 350 R C 2.241 178.486 176.300 -0.091 0.000 1.142 350 R CA 1.761 57.768 56.100 -0.154 0.000 0.960 350 R CB -0.303 29.879 30.300 -0.196 0.000 0.858 350 R HN 0.495 nan 8.270 nan 0.000 0.439 351 L N -0.088 121.093 121.223 -0.069 0.000 2.017 351 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 351 L C 2.493 179.306 176.870 -0.094 0.000 1.073 351 L CA 0.938 55.742 54.840 -0.061 0.000 0.745 351 L CB -0.563 41.468 42.059 -0.045 0.000 0.894 351 L HN 0.283 nan 8.230 nan 0.000 0.432 352 I N -0.437 120.063 120.570 -0.117 0.000 2.315 352 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 352 I C 2.231 178.240 176.117 -0.180 0.000 1.117 352 I CA 1.281 62.483 61.300 -0.163 0.000 1.404 352 I CB -0.116 37.783 38.000 -0.168 0.000 1.071 352 I HN -0.113 nan 8.210 nan 0.000 0.419 353 V N 1.189 121.020 119.914 -0.139 0.000 2.343 353 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 353 V C 2.206 178.223 176.094 -0.129 0.000 1.051 353 V CA 2.464 64.682 62.300 -0.138 0.000 1.036 353 V CB -1.199 30.582 31.823 -0.070 0.000 0.654 353 V HN 0.512 nan 8.190 nan 0.000 0.451 354 N N -0.245 118.419 118.700 -0.060 0.000 2.061 354 N HA -0.212 4.528 4.740 -0.000 0.000 0.193 354 N C 1.844 177.281 175.510 -0.121 0.000 1.030 354 N CA 1.403 54.432 53.050 -0.035 0.000 0.856 354 N CB -0.138 38.352 38.487 0.005 0.000 1.023 354 N HN 0.447 nan 8.380 nan 0.000 0.424 355 E N 0.911 121.012 120.200 -0.164 0.000 2.110 355 E HA -0.129 4.220 4.350 -0.000 0.000 0.193 355 E C 2.079 178.496 176.600 -0.304 0.000 0.988 355 E CA 0.708 56.984 56.400 -0.207 0.000 0.804 355 E CB -0.197 29.368 29.700 -0.225 0.000 0.745 355 E HN 0.505 nan 8.360 nan 0.000 0.458 356 I N 0.797 121.121 120.570 -0.410 0.000 2.179 356 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 356 I C 2.435 178.123 176.117 -0.714 0.000 1.088 356 I CA 0.886 61.797 61.300 -0.649 0.000 1.357 356 I CB -0.286 37.273 38.000 -0.736 0.000 1.051 356 I HN 0.051 nan 8.210 nan 0.000 0.409 357 L N 0.545 121.491 121.223 -0.462 0.000 2.093 357 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 357 L C 2.609 179.418 176.870 -0.102 0.000 1.085 357 L CA 1.300 55.996 54.840 -0.241 0.000 0.755 357 L CB -0.623 41.387 42.059 -0.081 0.000 0.904 357 L HN 0.250 nan 8.230 nan 0.000 0.435 358 K N 0.568 120.892 120.400 -0.128 0.000 2.057 358 K HA -0.266 4.054 4.320 -0.000 0.000 0.207 358 K C 2.062 178.637 176.600 -0.041 0.000 1.049 358 K CA 1.748 57.994 56.287 -0.068 0.000 0.931 358 K CB 0.089 32.538 32.500 -0.084 0.000 0.714 358 K HN 0.093 nan 8.250 nan 0.000 0.440 359 E N -0.119 120.018 120.200 -0.105 0.000 2.072 359 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 359 E C 1.562 178.260 176.600 0.163 0.000 0.985 359 E CA 1.460 57.841 56.400 -0.031 0.000 0.801 359 E CB -0.205 29.413 29.700 -0.136 0.000 0.750 359 E HN 0.369 nan 8.360 nan 0.000 0.452 360 W N 1.203 122.515 121.300 0.020 0.000 2.363 360 W HA -0.041 4.619 4.660 -0.000 0.000 0.296 360 W C 1.974 178.505 176.519 0.020 0.000 1.212 360 W CA 1.098 58.476 57.345 0.055 0.000 1.260 360 W CB -0.712 28.791 29.460 0.071 0.000 1.131 360 W HN 0.186 nan 8.180 nan 0.000 0.530 361 K N -0.072 120.463 120.400 0.225 0.000 2.097 361 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 361 K C 2.089 178.740 176.600 0.085 0.000 1.050 361 K CA 1.345 57.701 56.287 0.115 0.000 0.938 361 K CB -0.386 32.153 32.500 0.065 0.000 0.718 361 K HN 0.008 nan 8.250 nan 0.000 0.442 362 R N 1.453 122.003 120.500 0.083 0.000 2.096 362 R HA -0.147 4.193 4.340 -0.000 0.000 0.240 362 R C 2.154 178.498 176.300 0.073 0.000 1.139 362 R CA 1.494 57.631 56.100 0.062 0.000 0.952 362 R CB -0.255 30.076 30.300 0.052 0.000 0.854 362 R HN 0.147 nan 8.270 nan 0.000 0.436 363 I N 0.711 121.348 120.570 0.111 0.000 2.179 363 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 363 I C 2.274 178.432 176.117 0.069 0.000 1.088 363 I CA 1.428 62.789 61.300 0.102 0.000 1.357 363 I CB -0.301 37.789 38.000 0.149 0.000 1.051 363 I HN 0.205 nan 8.210 nan 0.000 0.409 364 K N 0.637 121.075 120.400 0.062 0.000 2.209 364 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 364 K C 1.947 178.558 176.600 0.019 0.000 1.048 364 K CA 1.720 58.022 56.287 0.024 0.000 0.940 364 K CB -0.142 32.363 32.500 0.008 0.000 0.729 364 K HN 0.391 nan 8.250 nan 0.000 0.451 365 S N -0.934 114.782 115.700 0.027 0.000 2.605 365 S HA 0.128 4.597 4.470 -0.000 0.000 0.217 365 S C 1.282 175.893 174.600 0.019 0.000 0.958 365 S CA 0.320 58.531 58.200 0.018 0.000 0.919 365 S CB 0.418 63.628 63.200 0.016 0.000 0.780 365 S HN 0.417 nan 8.310 nan 0.000 0.507 366 G N 1.275 110.090 108.800 0.026 0.000 2.189 366 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.267 366 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.267 366 G C 0.322 175.237 174.900 0.025 0.000 0.975 366 G CA 0.406 45.521 45.100 0.025 0.000 0.644 366 G HN 0.510 nan 8.290 nan 0.000 0.537 367 K N 1.041 121.457 120.400 0.026 0.000 3.245 367 K HA 0.421 4.741 4.320 -0.000 0.000 0.285 367 K C 0.967 177.584 176.600 0.029 0.000 1.156 367 K CA 0.252 56.554 56.287 0.024 0.000 1.162 367 K CB -0.761 31.752 32.500 0.021 0.000 1.365 367 K HN 0.760 nan 8.250 nan 0.000 0.316 368 I N -2.852 117.737 120.570 0.030 0.000 2.646 368 I HA 0.514 4.684 4.170 -0.000 0.000 0.299 368 I C 0.085 176.217 176.117 0.026 0.000 1.036 368 I CA -1.127 60.193 61.300 0.033 0.000 1.074 368 I CB 2.219 40.245 38.000 0.043 0.000 1.258 368 I HN 0.001 nan 8.210 nan 0.000 0.430 369 S N 2.070 117.785 115.700 0.024 0.000 2.652 369 S HA 0.266 4.736 4.470 -0.000 0.000 0.270 369 S C 0.393 175.003 174.600 0.017 0.000 1.243 369 S CA -0.394 57.817 58.200 0.019 0.000 0.999 369 S CB 1.531 64.742 63.200 0.019 0.000 0.973 369 S HN 0.710 nan 8.310 nan 0.000 0.544 370 D N 1.424 121.832 120.400 0.013 0.000 2.117 370 D HA -0.031 4.609 4.640 -0.000 0.000 0.197 370 D C 2.213 178.519 176.300 0.010 0.000 0.987 370 D CA 1.776 55.782 54.000 0.010 0.000 0.829 370 D CB -0.857 39.948 40.800 0.008 0.000 0.961 370 D HN 0.705 nan 8.370 nan 0.000 0.460 371 A N 1.501 124.329 122.820 0.013 0.000 1.883 371 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 371 A C 2.050 179.644 177.584 0.016 0.000 1.186 371 A CA 2.015 54.061 52.037 0.014 0.000 0.624 371 A CB -0.664 18.346 19.000 0.016 0.000 0.822 371 A HN 0.464 nan 8.150 nan 0.000 0.444 372 E N -0.418 119.795 120.200 0.021 0.000 2.208 372 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 372 E C 1.682 178.295 176.600 0.022 0.000 0.988 372 E CA 1.178 57.594 56.400 0.027 0.000 0.828 372 E CB -0.465 29.256 29.700 0.036 0.000 0.763 372 E HN 0.295 nan 8.360 nan 0.000 0.478 373 V N 2.075 121.998 119.914 0.015 0.000 2.358 373 V HA -0.259 3.860 4.120 -0.000 0.000 0.246 373 V C 1.856 177.947 176.094 -0.005 0.000 1.047 373 V CA 2.257 64.561 62.300 0.006 0.000 1.035 373 V CB -0.754 31.071 31.823 0.003 0.000 0.658 373 V HN 0.336 nan 8.190 nan 0.000 0.452 374 N N -0.641 118.056 118.700 -0.004 0.000 2.244 374 N HA -0.137 4.602 4.740 -0.000 0.000 0.183 374 N C 2.098 177.603 175.510 -0.008 0.000 1.016 374 N CA 0.693 53.736 53.050 -0.011 0.000 0.866 374 N CB -0.110 38.375 38.487 -0.004 0.000 0.980 374 N HN 0.313 nan 8.380 nan 0.000 0.430 375 R N 0.928 121.430 120.500 0.004 0.000 2.073 375 R HA -0.069 4.271 4.340 -0.000 0.000 0.234 375 R C 2.179 178.482 176.300 0.005 0.000 1.134 375 R CA 1.390 57.496 56.100 0.010 0.000 0.952 375 R CB -0.285 30.027 30.300 0.021 0.000 0.850 375 R HN 0.196 nan 8.270 nan 0.000 0.433 376 A N 1.408 124.231 122.820 0.005 0.000 1.902 376 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 376 A C 1.988 179.559 177.584 -0.022 0.000 1.181 376 A CA 1.506 53.543 52.037 0.000 0.000 0.623 376 A CB -0.295 18.708 19.000 0.004 0.000 0.818 376 A HN 0.282 nan 8.150 nan 0.000 0.443 377 K N -0.361 120.016 120.400 -0.039 0.000 2.097 377 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 377 K C 2.310 178.864 176.600 -0.078 0.000 1.050 377 K CA 1.042 57.285 56.287 -0.074 0.000 0.938 377 K CB -0.318 32.123 32.500 -0.098 0.000 0.718 377 K HN 0.443 nan 8.250 nan 0.000 0.442 378 A N 1.598 124.390 122.820 -0.048 0.000 1.898 378 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 378 A C 2.178 179.756 177.584 -0.011 0.000 1.181 378 A CA 1.415 53.435 52.037 -0.028 0.000 0.620 378 A CB -0.509 18.488 19.000 -0.006 0.000 0.819 378 A HN 0.343 nan 8.150 nan 0.000 0.442 379 Q N -1.018 118.780 119.800 -0.004 0.000 2.084 379 Q HA -0.185 4.154 4.340 -0.000 0.000 0.202 379 Q C 2.001 178.005 176.000 0.007 0.000 0.978 379 Q CA 1.678 57.486 55.803 0.008 0.000 0.844 379 Q CB -0.228 28.518 28.738 0.013 0.000 0.898 379 Q HN 0.511 nan 8.270 nan 0.000 0.426 380 L N 1.187 122.406 121.223 -0.007 0.000 2.017 380 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 380 L C 1.941 178.814 176.870 0.006 0.000 1.073 380 L CA 1.908 56.748 54.840 0.001 0.000 0.745 380 L CB -0.378 41.672 42.059 -0.015 0.000 0.894 380 L HN 0.097 nan 8.230 nan 0.000 0.432 381 K N -0.709 119.671 120.400 -0.035 0.000 2.057 381 K HA -0.126 4.194 4.320 -0.000 0.000 0.207 381 K C 2.065 178.689 176.600 0.040 0.000 1.049 381 K CA 1.381 57.650 56.287 -0.030 0.000 0.931 381 K CB -0.428 32.015 32.500 -0.094 0.000 0.714 381 K HN 0.459 nan 8.250 nan 0.000 0.440 382 A N 1.745 124.588 122.820 0.037 0.000 1.877 382 A HA -0.115 4.204 4.320 -0.000 0.000 0.216 382 A C 2.445 180.058 177.584 0.048 0.000 1.186 382 A CA 1.862 53.928 52.037 0.048 0.000 0.620 382 A CB -0.818 18.204 19.000 0.037 0.000 0.822 382 A HN 0.329 nan 8.150 nan 0.000 0.443 383 A N -0.469 122.377 122.820 0.044 0.000 1.940 383 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 383 A C 2.138 179.763 177.584 0.069 0.000 1.176 383 A CA 1.712 53.778 52.037 0.049 0.000 0.631 383 A CB -0.546 18.482 19.000 0.045 0.000 0.814 383 A HN 0.490 nan 8.150 nan 0.000 0.446 384 L N -1.715 119.560 121.223 0.086 0.000 2.307 384 L HA 0.085 4.425 4.340 -0.000 0.000 0.211 384 L C 2.211 179.140 176.870 0.099 0.000 1.099 384 L CA 0.412 55.322 54.840 0.117 0.000 0.816 384 L CB -0.171 41.991 42.059 0.170 0.000 0.952 384 L HN 0.318 nan 8.230 nan 0.000 0.455 385 L N -1.325 119.951 121.223 0.087 0.000 2.433 385 L HA 0.059 4.399 4.340 -0.000 0.000 0.200 385 L C 2.118 179.025 176.870 0.062 0.000 1.059 385 L CA 0.202 55.093 54.840 0.084 0.000 0.835 385 L CB -0.153 41.978 42.059 0.121 0.000 1.076 385 L HN 0.079 nan 8.230 nan 0.000 0.481 386 L N 0.294 121.552 121.223 0.058 0.000 2.362 386 L HA -0.103 4.237 4.340 -0.000 0.000 0.219 386 L C 2.505 179.394 176.870 0.030 0.000 1.134 386 L CA 1.147 56.011 54.840 0.041 0.000 0.807 386 L CB -0.521 41.562 42.059 0.040 0.000 0.927 386 L HN 0.380 nan 8.230 nan 0.000 0.447 387 S N -0.643 115.078 115.700 0.034 0.000 2.527 387 S HA 0.039 4.509 4.470 -0.000 0.000 0.222 387 S C 1.043 175.654 174.600 0.019 0.000 0.985 387 S CA -0.046 58.169 58.200 0.025 0.000 0.921 387 S CB -0.328 62.890 63.200 0.030 0.000 0.772 387 S HN 0.330 nan 8.310 nan 0.000 0.529 388 L N 2.464 123.701 121.223 0.023 0.000 2.391 388 L HA 0.300 4.640 4.340 -0.000 0.000 0.249 388 L C 1.027 177.900 176.870 0.005 0.000 1.308 388 L CA -0.309 54.540 54.840 0.014 0.000 1.209 388 L CB -0.003 42.068 42.059 0.019 0.000 1.401 388 L HN 0.165 nan 8.230 nan 0.000 0.416 389 D N 0.935 121.336 120.400 0.001 0.000 2.527 389 D HA 0.073 4.713 4.640 -0.000 0.000 0.249 389 D C 1.094 177.388 176.300 -0.010 0.000 1.029 389 D CA 0.655 54.652 54.000 -0.004 0.000 0.951 389 D CB 0.437 41.235 40.800 -0.003 0.000 1.093 389 D HN 0.337 nan 8.370 nan 0.000 0.464 390 G N -0.404 108.391 108.800 -0.009 0.000 2.547 390 G HA2 0.321 4.281 3.960 -0.000 0.000 0.291 390 G HA3 0.321 4.281 3.960 -0.000 0.000 0.291 390 G C 1.095 175.990 174.900 -0.008 0.000 1.211 390 G CA 0.486 45.581 45.100 -0.009 0.000 0.950 390 G HN 0.205 nan 8.290 nan 0.000 0.504 391 S N -0.882 114.816 115.700 -0.003 0.000 2.382 391 S HA -0.162 4.308 4.470 -0.000 0.000 0.228 391 S C 2.106 176.714 174.600 0.013 0.000 1.027 391 S CA 2.135 60.338 58.200 0.004 0.000 0.991 391 S CB -0.695 62.515 63.200 0.016 0.000 0.823 391 S HN 0.481 nan 8.310 nan 0.000 0.469 392 T N 2.620 117.183 114.554 0.014 0.000 2.746 392 T HA 0.086 4.436 4.350 -0.000 0.000 0.267 392 T C 2.216 176.895 174.700 -0.035 0.000 1.039 392 T CA 1.439 63.535 62.100 -0.008 0.000 1.142 392 T CB -0.822 68.046 68.868 0.000 0.000 0.866 392 T HN 0.652 nan 8.240 nan 0.000 0.444 393 A N 0.858 123.664 122.820 -0.023 0.000 1.930 393 A HA 0.046 4.365 4.320 -0.000 0.000 0.217 393 A C 2.255 179.831 177.584 -0.013 0.000 1.175 393 A CA 1.032 53.056 52.037 -0.021 0.000 0.627 393 A CB -0.677 18.316 19.000 -0.013 0.000 0.815 393 A HN 0.526 nan 8.150 nan 0.000 0.443 394 I N -0.844 119.720 120.570 -0.011 0.000 2.353 394 I HA -0.159 4.010 4.170 -0.000 0.000 0.248 394 I C 2.286 178.389 176.117 -0.023 0.000 1.119 394 I CA 0.681 61.972 61.300 -0.016 0.000 1.417 394 I CB -0.154 37.838 38.000 -0.014 0.000 1.078 394 I HN 0.138 nan 8.210 nan 0.000 0.421 395 V N 0.945 120.859 119.914 -0.000 0.000 2.358 395 V HA -0.277 3.842 4.120 -0.000 0.000 0.246 395 V C 2.557 178.665 176.094 0.024 0.000 1.047 395 V CA 2.146 64.457 62.300 0.019 0.000 1.035 395 V CB -0.526 31.353 31.823 0.094 0.000 0.658 395 V HN 0.465 nan 8.190 nan 0.000 0.452 396 E N 1.116 121.354 120.200 0.064 0.000 2.065 396 E HA -0.310 4.040 4.350 -0.000 0.000 0.201 396 E C 1.805 178.402 176.600 -0.005 0.000 1.016 396 E CA 2.409 58.879 56.400 0.115 0.000 0.818 396 E CB -0.617 29.101 29.700 0.031 0.000 0.749 396 E HN 0.655 nan 8.360 nan 0.000 0.453 397 D N -0.735 119.635 120.400 -0.050 0.000 2.097 397 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 397 D C 2.065 178.263 176.300 -0.170 0.000 0.984 397 D CA 1.670 55.617 54.000 -0.089 0.000 0.826 397 D CB -0.212 40.562 40.800 -0.043 0.000 0.973 397 D HN 0.365 nan 8.370 nan 0.000 0.460 398 I N 0.278 120.738 120.570 -0.184 0.000 2.099 398 I HA -0.165 4.005 4.170 -0.000 0.000 0.239 398 I C 2.554 178.412 176.117 -0.432 0.000 1.066 398 I CA 1.449 62.606 61.300 -0.239 0.000 1.324 398 I CB -0.750 37.135 38.000 -0.192 0.000 1.037 398 I HN 0.157 nan 8.210 nan 0.000 0.401 399 G N 0.412 108.761 108.800 -0.752 0.000 2.491 399 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.218 399 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.218 399 G C 1.811 176.138 174.900 -0.956 0.000 1.180 399 G CA 0.703 44.835 45.100 -1.613 0.000 0.774 399 G HN 0.230 nan 8.290 nan 0.000 0.562 400 R N 0.160 120.366 120.500 -0.490 0.000 2.081 400 R HA -0.050 4.290 4.340 -0.000 0.000 0.235 400 R C 2.681 178.743 176.300 -0.396 0.000 1.131 400 R CA 1.629 57.574 56.100 -0.258 0.000 0.960 400 R CB -0.394 29.790 30.300 -0.194 0.000 0.856 400 R HN 0.486 nan 8.270 nan 0.000 0.436 401 Q N -0.297 119.277 119.800 -0.376 0.000 2.016 401 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 401 Q C 2.198 178.039 176.000 -0.265 0.000 0.978 401 Q CA 1.739 57.339 55.803 -0.340 0.000 0.833 401 Q CB 0.026 28.625 28.738 -0.231 0.000 0.895 401 Q HN 0.189 nan 8.270 nan 0.000 0.427 402 V N 0.179 119.943 119.914 -0.249 0.000 2.343 402 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 402 V C 2.171 178.169 176.094 -0.160 0.000 1.051 402 V CA 1.383 63.570 62.300 -0.188 0.000 1.036 402 V CB -0.407 31.299 31.823 -0.194 0.000 0.654 402 V HN 0.212 nan 8.190 nan 0.000 0.451 403 V N 0.860 120.664 119.914 -0.184 0.000 2.759 403 V HA -0.164 3.956 4.120 -0.000 0.000 0.256 403 V C 2.360 178.412 176.094 -0.071 0.000 1.080 403 V CA 2.437 64.681 62.300 -0.093 0.000 1.101 403 V CB -0.175 31.638 31.823 -0.017 0.000 0.698 403 V HN 0.864 nan 8.190 nan 0.000 0.477 404 T N -6.650 107.819 114.554 -0.141 0.000 3.023 404 T HA 0.083 4.433 4.350 -0.000 0.000 0.253 404 T C 1.372 176.032 174.700 -0.066 0.000 1.038 404 T CA 0.863 62.900 62.100 -0.105 0.000 0.962 404 T CB 0.713 69.408 68.868 -0.289 0.000 1.018 404 T HN 0.299 nan 8.240 nan 0.000 0.521 405 T N -0.459 114.034 114.554 -0.102 0.000 3.010 405 T HA 0.487 4.837 4.350 -0.000 0.000 0.253 405 T C 1.461 176.137 174.700 -0.040 0.000 0.939 405 T CA 0.749 62.816 62.100 -0.054 0.000 0.910 405 T CB 0.088 68.902 68.868 -0.090 0.000 1.226 405 T HN 0.644 nan 8.240 nan 0.000 0.508 406 G N 2.373 111.137 108.800 -0.060 0.000 2.194 406 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.236 406 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.236 406 G C 0.032 174.902 174.900 -0.050 0.000 0.987 406 G CA 0.618 45.691 45.100 -0.045 0.000 0.635 406 G HN 0.758 nan 8.290 nan 0.000 0.520 407 K N -1.643 118.720 120.400 -0.062 0.000 2.533 407 K HA 0.809 5.129 4.320 -0.000 0.000 0.284 407 K C -1.116 175.440 176.600 -0.073 0.000 1.025 407 K CA -1.353 54.900 56.287 -0.055 0.000 0.900 407 K CB 1.422 33.906 32.500 -0.028 0.000 1.519 407 K HN 0.056 nan 8.250 nan 0.000 0.432 408 R N 1.812 122.276 120.500 -0.060 0.000 2.409 408 R HA 0.371 4.711 4.340 -0.000 0.000 0.313 408 R C -0.993 175.295 176.300 -0.020 0.000 0.953 408 R CA -0.626 55.439 56.100 -0.060 0.000 0.849 408 R CB 0.866 31.121 30.300 -0.076 0.000 1.171 408 R HN 0.697 nan 8.270 nan 0.000 0.458 409 L N 3.074 124.303 121.223 0.010 0.000 2.380 409 L HA 0.169 4.509 4.340 -0.000 0.000 0.273 409 L C 1.180 178.067 176.870 0.028 0.000 1.138 409 L CA -0.069 54.795 54.840 0.041 0.000 0.832 409 L CB 1.054 43.176 42.059 0.104 0.000 1.124 409 L HN 0.658 nan 8.230 nan 0.000 0.454 410 S N 2.544 118.255 115.700 0.018 0.000 2.624 410 S HA 0.289 4.759 4.470 -0.000 0.000 0.263 410 S C -1.891 172.725 174.600 0.027 0.000 1.287 410 S CA -1.149 57.058 58.200 0.012 0.000 0.990 410 S CB 1.178 64.379 63.200 0.002 0.000 0.950 410 S HN 0.388 nan 8.310 nan 0.000 0.561 411 P HA -0.100 nan 4.420 nan 0.000 0.215 411 P C 1.105 178.441 177.300 0.060 0.000 1.157 411 P CA 1.370 64.497 63.100 0.045 0.000 0.874 411 P CB -0.034 31.681 31.700 0.026 0.000 0.790 412 E N -0.348 119.867 120.200 0.024 0.000 2.110 412 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 412 E C 1.932 178.568 176.600 0.060 0.000 0.988 412 E CA 1.225 57.637 56.400 0.020 0.000 0.804 412 E CB -0.741 28.945 29.700 -0.023 0.000 0.745 412 E HN 0.433 nan 8.360 nan 0.000 0.458 413 E N -0.056 120.164 120.200 0.033 0.000 2.047 413 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 413 E C 2.111 178.695 176.600 -0.028 0.000 0.987 413 E CA 1.160 57.570 56.400 0.016 0.000 0.799 413 E CB -0.017 29.694 29.700 0.018 0.000 0.752 413 E HN 0.065 nan 8.360 nan 0.000 0.449 414 V N 1.235 121.130 119.914 -0.030 0.000 2.332 414 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 414 V C 2.037 178.015 176.094 -0.192 0.000 1.055 414 V CA 1.810 64.006 62.300 -0.174 0.000 1.038 414 V CB -0.541 31.271 31.823 -0.018 0.000 0.651 414 V HN 0.242 nan 8.190 nan 0.000 0.450 415 F N 1.404 121.266 119.950 -0.147 0.000 2.120 415 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 415 F C 2.439 178.155 175.800 -0.141 0.000 1.095 415 F CA 2.326 60.253 58.000 -0.121 0.000 1.249 415 F CB -0.187 38.771 39.000 -0.069 0.000 0.995 415 F HN 0.171 nan 8.300 nan 0.000 0.480 416 E N 0.258 120.526 120.200 0.114 0.000 2.051 416 E HA -0.217 4.132 4.350 -0.000 0.000 0.192 416 E C 2.131 178.647 176.600 -0.140 0.000 0.991 416 E CA 1.558 57.977 56.400 0.031 0.000 0.799 416 E CB -0.470 29.256 29.700 0.044 0.000 0.748 416 E HN 0.389 nan 8.360 nan 0.000 0.449 417 Q N -0.177 119.468 119.800 -0.259 0.000 2.135 417 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 417 Q C 2.347 178.121 176.000 -0.377 0.000 0.981 417 Q CA 1.407 56.990 55.803 -0.367 0.000 0.856 417 Q CB -0.472 27.803 28.738 -0.772 0.000 0.902 417 Q HN 0.283 nan 8.270 nan 0.000 0.425 418 V N 0.751 120.387 119.914 -0.464 0.000 2.302 418 V HA -0.197 3.923 4.120 -0.000 0.000 0.243 418 V C 1.959 177.876 176.094 -0.295 0.000 1.036 418 V CA 1.817 63.911 62.300 -0.343 0.000 1.020 418 V CB -0.632 30.976 31.823 -0.358 0.000 0.657 418 V HN 0.281 nan 8.190 nan 0.000 0.453 419 D N 0.754 120.914 120.400 -0.401 0.000 2.190 419 D HA -0.246 4.394 4.640 -0.000 0.000 0.200 419 D C 2.118 178.329 176.300 -0.150 0.000 0.992 419 D CA 1.522 55.334 54.000 -0.315 0.000 0.854 419 D CB -0.079 40.524 40.800 -0.328 0.000 0.936 419 D HN 0.635 nan 8.370 nan 0.000 0.462 420 K N 0.011 120.340 120.400 -0.118 0.000 2.418 420 K HA 0.004 4.324 4.320 -0.000 0.000 0.195 420 K C 0.666 177.236 176.600 -0.050 0.000 1.035 420 K CA 0.057 56.307 56.287 -0.062 0.000 1.003 420 K CB -0.107 32.369 32.500 -0.040 0.000 0.793 420 K HN 0.172 nan 8.250 nan 0.000 0.494 421 I N 3.650 124.180 120.570 -0.066 0.000 2.775 421 I HA -0.100 4.070 4.170 -0.000 0.000 0.290 421 I C 0.659 176.755 176.117 -0.036 0.000 1.203 421 I CA 0.345 61.618 61.300 -0.045 0.000 1.433 421 I CB 0.497 38.463 38.000 -0.056 0.000 1.354 421 I HN 0.310 nan 8.210 nan 0.000 0.579 422 T N 2.116 116.658 114.554 -0.020 0.000 2.942 422 T HA 0.280 4.630 4.350 -0.000 0.000 0.289 422 T C 0.728 175.425 174.700 -0.005 0.000 1.044 422 T CA -0.997 61.096 62.100 -0.012 0.000 1.023 422 T CB 2.113 70.978 68.868 -0.004 0.000 1.123 422 T HN 0.670 nan 8.240 nan 0.000 0.512 423 K N 0.416 120.816 120.400 -0.000 0.000 2.044 423 K HA -0.241 4.079 4.320 -0.000 0.000 0.210 423 K C 1.503 178.112 176.600 0.014 0.000 1.049 423 K CA 2.318 58.609 56.287 0.008 0.000 0.927 423 K CB -0.516 31.989 32.500 0.009 0.000 0.713 423 K HN 0.753 nan 8.250 nan 0.000 0.443 424 D N 0.657 121.064 120.400 0.012 0.000 2.123 424 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 424 D C 1.549 177.863 176.300 0.025 0.000 0.992 424 D CA 1.512 55.522 54.000 0.016 0.000 0.833 424 D CB 0.002 40.807 40.800 0.010 0.000 0.954 424 D HN 0.240 nan 8.370 nan 0.000 0.455 425 D N -0.108 120.304 120.400 0.021 0.000 2.116 425 D HA -0.172 4.467 4.640 -0.000 0.000 0.193 425 D C 2.280 178.618 176.300 0.063 0.000 0.998 425 D CA 0.799 54.819 54.000 0.034 0.000 0.836 425 D CB -0.294 40.515 40.800 0.015 0.000 0.951 425 D HN 0.354 nan 8.370 nan 0.000 0.449 426 I N 0.911 121.503 120.570 0.037 0.000 2.179 426 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 426 I C 2.525 178.702 176.117 0.100 0.000 1.088 426 I CA 0.779 62.110 61.300 0.051 0.000 1.357 426 I CB -0.171 37.838 38.000 0.016 0.000 1.051 426 I HN -0.044 nan 8.210 nan 0.000 0.409 427 I N -0.288 120.321 120.570 0.065 0.000 2.208 427 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 427 I C 2.603 178.752 176.117 0.053 0.000 1.097 427 I CA 1.180 62.512 61.300 0.054 0.000 1.363 427 I CB -0.354 37.666 38.000 0.033 0.000 1.051 427 I HN 0.268 nan 8.210 nan 0.000 0.413 428 M N -0.518 119.118 119.600 0.061 0.000 2.067 428 M HA -0.259 4.221 4.480 -0.000 0.000 0.260 428 M C 2.251 178.595 176.300 0.073 0.000 1.069 428 M CA 1.983 57.312 55.300 0.049 0.000 1.117 428 M CB -1.351 31.274 32.600 0.042 0.000 1.334 428 M HN 0.421 nan 8.290 nan 0.000 0.407 429 W N 0.937 122.191 121.300 -0.077 0.000 2.335 429 W HA -0.218 4.442 4.660 -0.000 0.000 0.311 429 W C 2.473 178.883 176.519 -0.182 0.000 1.213 429 W CA 2.813 60.095 57.345 -0.105 0.000 1.274 429 W CB -0.317 29.054 29.460 -0.148 0.000 1.148 429 W HN 0.293 nan 8.180 nan 0.000 0.498 430 A N 0.302 123.181 122.820 0.098 0.000 1.902 430 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 430 A C 1.908 179.324 177.584 -0.279 0.000 1.181 430 A CA 1.888 53.833 52.037 -0.154 0.000 0.623 430 A CB -1.098 17.896 19.000 -0.010 0.000 0.818 430 A HN 0.456 nan 8.150 nan 0.000 0.443 431 N N -1.916 116.698 118.700 -0.143 0.000 2.381 431 N HA -0.138 4.602 4.740 -0.000 0.000 0.182 431 N C 1.504 176.915 175.510 -0.165 0.000 1.025 431 N CA 1.461 54.434 53.050 -0.128 0.000 0.888 431 N CB -0.239 38.216 38.487 -0.053 0.000 0.965 431 N HN 0.695 nan 8.380 nan 0.000 0.438 432 Y N 1.767 121.848 120.300 -0.365 0.000 2.201 432 Y HA 0.092 4.642 4.550 -0.000 0.000 0.292 432 Y C 2.100 177.672 175.900 -0.547 0.000 1.119 432 Y CA 1.190 59.046 58.100 -0.406 0.000 1.127 432 Y CB -0.069 38.144 38.460 -0.412 0.000 1.019 432 Y HN -0.177 nan 8.280 nan 0.000 0.514 433 R N 0.412 120.293 120.500 -1.032 0.000 2.193 433 R HA 0.111 4.451 4.340 -0.000 0.000 0.213 433 R C 1.171 176.928 176.300 -0.906 0.000 1.055 433 R CA 0.902 56.272 56.100 -1.217 0.000 0.995 433 R CB -0.438 28.793 30.300 -1.781 0.000 0.893 433 R HN 0.410 nan 8.270 nan 0.000 0.459 434 L N 0.431 121.218 121.223 -0.726 0.000 2.965 434 L HA 0.304 4.644 4.340 -0.000 0.000 0.254 434 L C -0.062 176.625 176.870 -0.304 0.000 1.220 434 L CA -0.276 54.258 54.840 -0.509 0.000 1.023 434 L CB 0.256 42.006 42.059 -0.515 0.000 1.355 434 L HN -0.131 nan 8.230 nan 0.000 0.545 435 Q N 1.189 120.797 119.800 -0.319 0.000 2.274 435 Q HA 0.334 4.674 4.340 -0.000 0.000 0.268 435 Q C -0.325 175.544 176.000 -0.219 0.000 1.015 435 Q CA -0.309 55.370 55.803 -0.208 0.000 0.775 435 Q CB 1.033 29.672 28.738 -0.165 0.000 1.256 435 Q HN 0.161 nan 8.270 nan 0.000 0.442 436 N N 2.701 121.306 118.700 -0.159 0.000 2.727 436 N HA -0.177 4.563 4.740 -0.000 0.000 0.249 436 N C -1.204 174.193 175.510 -0.188 0.000 1.048 436 N CA 0.995 53.961 53.050 -0.141 0.000 0.714 436 N CB -0.412 38.006 38.487 -0.115 0.000 0.959 436 N HN 0.565 nan 8.380 nan 0.000 0.544 437 K N 0.113 120.379 120.400 -0.225 0.000 2.385 437 K HA 0.521 4.840 4.320 -0.000 0.000 0.248 437 K C -2.270 174.204 176.600 -0.209 0.000 0.955 437 K CA -1.380 54.736 56.287 -0.285 0.000 0.816 437 K CB 2.475 34.705 32.500 -0.450 0.000 1.250 437 K HN -0.088 nan 8.250 nan 0.000 0.434 438 P HA 0.164 nan 4.420 nan 0.000 0.274 438 P C -0.553 176.736 177.300 -0.018 0.000 1.231 438 P CA -0.454 62.622 63.100 -0.041 0.000 0.790 438 P CB 1.032 32.782 31.700 0.085 0.000 0.951 439 V N -0.117 119.898 119.914 0.169 0.000 2.876 439 V HA 0.774 4.894 4.120 -0.000 0.000 0.312 439 V C -0.688 175.588 176.094 0.303 0.000 1.085 439 V CA -0.638 61.819 62.300 0.262 0.000 0.945 439 V CB 2.015 33.946 31.823 0.180 0.000 1.017 439 V HN 0.792 nan 8.190 nan 0.000 0.428 440 S N 6.464 122.351 115.700 0.313 0.000 2.566 440 S HA 0.875 5.345 4.470 -0.000 0.000 0.298 440 S C -0.675 173.980 174.600 0.092 0.000 1.083 440 S CA -0.764 57.491 58.200 0.091 0.000 0.978 440 S CB 1.982 65.103 63.200 -0.133 0.000 1.073 440 S HN 1.426 nan 8.310 nan 0.000 0.491 441 M N 2.203 121.801 119.600 -0.003 0.000 2.520 441 M HA 0.635 5.115 4.480 -0.000 0.000 0.283 441 M C -2.371 173.851 176.300 -0.129 0.000 1.237 441 M CA -0.661 54.626 55.300 -0.022 0.000 0.885 441 M CB 2.151 34.736 32.600 -0.024 0.000 1.727 441 M HN 0.676 nan 8.290 nan 0.000 0.468 442 V N 2.378 122.235 119.914 -0.095 0.000 2.760 442 V HA 0.903 5.023 4.120 -0.000 0.000 0.309 442 V C -0.825 175.208 176.094 -0.102 0.000 1.077 442 V CA -0.692 61.526 62.300 -0.136 0.000 0.910 442 V CB 1.752 33.535 31.823 -0.066 0.000 1.008 442 V HN 0.952 nan 8.190 nan 0.000 0.424 443 A N 4.397 127.151 122.820 -0.109 0.000 2.359 443 A HA 0.911 5.231 4.320 -0.000 0.000 0.303 443 A C -1.557 176.036 177.584 0.016 0.000 1.066 443 A CA -0.490 51.555 52.037 0.012 0.000 0.730 443 A CB 1.546 20.640 19.000 0.157 0.000 1.211 443 A HN 0.950 nan 8.150 nan 0.000 0.439 444 L N 2.799 124.033 121.223 0.018 0.000 2.381 444 L HA 0.861 5.201 4.340 -0.000 0.000 0.274 444 L C 0.404 177.272 176.870 -0.004 0.000 0.988 444 L CA 1.393 56.221 54.840 -0.019 0.000 0.824 444 L CB 1.354 43.376 42.059 -0.062 0.000 1.263 444 L HN 1.942 nan 8.230 nan 0.000 0.410 445 G N 3.925 112.708 108.800 -0.029 0.000 2.317 445 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.196 445 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.196 445 G C -0.870 174.015 174.900 -0.025 0.000 1.255 445 G CA -0.226 44.849 45.100 -0.041 0.000 1.243 445 G HN 0.879 nan 8.290 nan 0.000 0.535 446 N N 1.362 120.045 118.700 -0.027 0.000 2.549 446 N HA 0.302 5.042 4.740 -0.000 0.000 0.267 446 N C 1.369 176.862 175.510 -0.029 0.000 1.182 446 N CA 1.176 54.207 53.050 -0.031 0.000 1.019 446 N CB 0.688 39.154 38.487 -0.035 0.000 1.380 446 N HN 0.672 nan 8.380 nan 0.000 0.505 447 T N 0.801 115.338 114.554 -0.030 0.000 2.995 447 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 447 T C 1.825 176.443 174.700 -0.137 0.000 1.091 447 T CA 1.678 63.753 62.100 -0.042 0.000 1.128 447 T CB -0.150 68.702 68.868 -0.027 0.000 0.891 447 T HN 0.605 nan 8.240 nan 0.000 0.492 448 S N -0.143 115.485 115.700 -0.121 0.000 2.420 448 S HA -0.136 4.334 4.470 -0.000 0.000 0.237 448 S C 2.040 176.560 174.600 -0.135 0.000 1.023 448 S CA 1.948 60.065 58.200 -0.138 0.000 0.991 448 S CB -1.059 62.083 63.200 -0.097 0.000 0.792 448 S HN 0.534 nan 8.310 nan 0.000 0.488 449 T N 0.780 115.272 114.554 -0.103 0.000 3.105 449 T HA 0.367 4.717 4.350 -0.000 0.000 0.253 449 T C 0.021 174.659 174.700 -0.103 0.000 1.047 449 T CA -0.304 61.739 62.100 -0.095 0.000 0.944 449 T CB -0.314 68.518 68.868 -0.060 0.000 1.016 449 T HN 0.197 nan 8.240 nan 0.000 0.544 450 V N 5.294 125.150 119.914 -0.097 0.000 2.432 450 V HA 0.408 4.528 4.120 -0.000 0.000 0.275 450 V C -1.807 174.253 176.094 -0.058 0.000 1.043 450 V CA -1.846 60.435 62.300 -0.033 0.000 0.925 450 V CB 1.214 33.117 31.823 0.133 0.000 0.985 450 V HN 0.398 nan 8.190 nan 0.000 0.466 451 P HA 0.108 nan 4.420 nan 0.000 0.274 451 P C -0.330 177.025 177.300 0.093 0.000 1.246 451 P CA -0.519 62.454 63.100 -0.212 0.000 0.795 451 P CB 0.696 32.006 31.700 -0.651 0.000 1.006 452 N N 0.210 118.985 118.700 0.125 0.000 2.415 452 N HA -0.007 4.733 4.740 -0.000 0.000 0.248 452 N C 1.286 176.942 175.510 0.242 0.000 1.271 452 N CA -0.070 53.139 53.050 0.266 0.000 0.913 452 N CB 0.840 39.458 38.487 0.219 0.000 1.129 452 N HN 0.002 nan 8.380 nan 0.000 0.444 453 V N 1.672 121.698 119.914 0.187 0.000 2.667 453 V HA -0.183 3.937 4.120 -0.000 0.000 0.252 453 V C 2.218 178.401 176.094 0.147 0.000 1.065 453 V CA 2.082 64.466 62.300 0.140 0.000 1.083 453 V CB -0.527 31.345 31.823 0.082 0.000 0.692 453 V HN 0.841 nan 8.190 nan 0.000 0.468 454 S N -0.981 114.807 115.700 0.147 0.000 2.461 454 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 454 S C 1.939 176.613 174.600 0.123 0.000 1.005 454 S CA 1.037 59.303 58.200 0.111 0.000 0.942 454 S CB -0.609 62.646 63.200 0.091 0.000 0.776 454 S HN 0.642 nan 8.310 nan 0.000 0.514 455 Y N 2.466 122.797 120.300 0.053 0.000 2.163 455 Y HA 0.057 4.607 4.550 -0.000 0.000 0.288 455 Y C 1.886 177.809 175.900 0.039 0.000 1.136 455 Y CA 1.246 59.370 58.100 0.040 0.000 1.147 455 Y CB -0.471 38.015 38.460 0.044 0.000 0.987 455 Y HN 0.217 nan 8.280 nan 0.000 0.509 456 I N 0.389 121.160 120.570 0.336 0.000 2.163 456 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 456 I C 2.239 178.412 176.117 0.094 0.000 1.085 456 I CA 1.927 63.366 61.300 0.232 0.000 1.347 456 I CB -0.466 37.668 38.000 0.224 0.000 1.044 456 I HN 0.334 nan 8.210 nan 0.000 0.408 457 E N 0.472 120.717 120.200 0.074 0.000 2.072 457 E HA -0.275 4.075 4.350 -0.000 0.000 0.191 457 E C 2.046 178.634 176.600 -0.020 0.000 0.985 457 E CA 1.189 57.608 56.400 0.032 0.000 0.801 457 E CB -0.170 29.547 29.700 0.028 0.000 0.750 457 E HN 0.508 nan 8.360 nan 0.000 0.452 458 E N 1.199 121.365 120.200 -0.056 0.000 2.038 458 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 458 E C 1.878 178.397 176.600 -0.135 0.000 1.000 458 E CA 1.155 57.492 56.400 -0.104 0.000 0.803 458 E CB 0.229 29.838 29.700 -0.151 0.000 0.750 458 E HN -0.051 nan 8.360 nan 0.000 0.448 459 K N 0.405 120.682 120.400 -0.205 0.000 2.097 459 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 459 K C 2.192 178.753 176.600 -0.064 0.000 1.050 459 K CA 0.587 56.767 56.287 -0.178 0.000 0.938 459 K CB -0.551 31.801 32.500 -0.245 0.000 0.718 459 K HN 0.217 nan 8.250 nan 0.000 0.442 460 L N 1.946 123.162 121.223 -0.012 0.000 2.056 460 L HA -0.067 4.273 4.340 -0.000 0.000 0.207 460 L C 1.426 178.303 176.870 0.010 0.000 1.078 460 L CA 1.743 56.612 54.840 0.048 0.000 0.749 460 L CB -0.528 41.602 42.059 0.117 0.000 0.901 460 L HN 0.099 nan 8.230 nan 0.000 0.433 461 N N -0.505 118.183 118.700 -0.020 0.000 2.409 461 N HA -0.089 4.650 4.740 -0.000 0.000 0.179 461 N C 0.834 176.321 175.510 -0.038 0.000 1.032 461 N CA 0.204 53.231 53.050 -0.038 0.000 0.898 461 N CB -0.142 38.316 38.487 -0.048 0.000 0.971 461 N HN 0.563 nan 8.380 nan 0.000 0.441 462 Q N 0.000 119.774 119.800 -0.043 0.000 2.315 462 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 462 Q CA 0.000 55.776 55.803 -0.046 0.000 1.022 462 Q CB 0.000 28.700 28.738 -0.063 0.000 1.108 462 Q HN 0.000 nan 8.270 nan 0.000 0.481