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 3dhw_1_H DATA FIRST_RESID 1 DATA SEQUENCE MIKLSNITKV FHQGTRTIQA LNNVSLHVPA GQIYGVIGAS GAGKSTLIRC DATA SEQUENCE VNLLERPTEG SVLVDGQELT TLSESELTKA RRQIGMIFQH FNLLSSRTVF DATA SEQUENCE GNVALPLELD NTPKDEVKRR VTELLSLVGL GDKHDSYPSN LSGGQKQRVA DATA SEQUENCE IARALASNPK VLLCDEATSA LDPATTRSIL ELLKDINRRL GLTILLITHE DATA SEQUENCE MDVVKRICDC VAVISNGELI EQDTVSEVFS HPKTPLAQKF IQSTLHLDIP DATA SEQUENCE EDYQERLQAE PFTDCVPMLR LEFTGQSVDA PLLSETARRF NVNNNIISAQ DATA SEQUENCE MDYAGGVKFG IMLTEMHGTQ QDTQAAIAWL QEHHVKVEVL GYV 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.256 176.300 -0.074 0.000 1.140 1 M CA 0.000 55.261 55.300 -0.064 0.000 0.988 1 M CB 0.000 32.569 32.600 -0.051 0.000 1.302 2 I N 1.888 122.394 120.570 -0.106 0.000 2.466 2 I HA 0.493 4.663 4.170 -0.000 0.000 0.289 2 I C -1.428 174.604 176.117 -0.143 0.000 1.026 2 I CA -0.097 61.139 61.300 -0.106 0.000 1.078 2 I CB 1.935 39.873 38.000 -0.104 0.000 1.249 2 I HN 0.217 nan 8.210 nan 0.000 0.429 3 K N 7.926 128.267 120.400 -0.098 0.000 2.482 3 K HA 0.547 4.867 4.320 -0.000 0.000 0.251 3 K C -1.960 174.600 176.600 -0.066 0.000 0.936 3 K CA -0.678 55.562 56.287 -0.079 0.000 0.791 3 K CB 2.054 34.553 32.500 -0.001 0.000 1.213 3 K HN 0.631 nan 8.250 nan 0.000 0.428 4 L N 3.076 124.250 121.223 -0.081 0.000 2.275 4 L HA 0.341 4.681 4.340 -0.000 0.000 0.288 4 L C -0.435 176.411 176.870 -0.041 0.000 1.046 4 L CA -0.618 54.184 54.840 -0.064 0.000 0.805 4 L CB 1.851 43.862 42.059 -0.079 0.000 1.193 4 L HN 0.613 nan 8.230 nan 0.000 0.426 5 S N 3.287 118.970 115.700 -0.029 0.000 2.429 5 S HA 0.231 4.700 4.470 -0.000 0.000 0.302 5 S C -0.120 174.468 174.600 -0.020 0.000 1.115 5 S CA -0.773 57.415 58.200 -0.021 0.000 1.095 5 S CB 0.619 63.810 63.200 -0.016 0.000 0.987 5 S HN 0.629 nan 8.310 nan 0.000 0.474 6 N N 2.622 121.311 118.700 -0.020 0.000 2.834 6 N HA -0.160 4.580 4.740 -0.000 0.000 0.306 6 N C -1.088 174.413 175.510 -0.015 0.000 1.120 6 N CA 0.826 53.866 53.050 -0.017 0.000 0.783 6 N CB -0.510 37.968 38.487 -0.015 0.000 0.997 6 N HN 0.461 nan 8.380 nan 0.000 0.590 7 I N 1.868 122.428 120.570 -0.016 0.000 2.389 7 I HA 0.246 4.416 4.170 -0.000 0.000 0.288 7 I C 0.570 176.683 176.117 -0.007 0.000 0.999 7 I CA -0.240 61.053 61.300 -0.012 0.000 1.129 7 I CB 1.742 39.734 38.000 -0.014 0.000 1.288 7 I HN 0.044 nan 8.210 nan 0.000 0.444 8 T N 6.460 121.012 114.554 -0.003 0.000 2.824 8 T HA 0.414 4.763 4.350 -0.000 0.000 0.282 8 T C -0.216 174.490 174.700 0.010 0.000 0.993 8 T CA -0.735 61.366 62.100 0.002 0.000 0.967 8 T CB 2.049 70.916 68.868 -0.001 0.000 0.960 8 T HN 0.464 nan 8.240 nan 0.000 0.441 9 K N 2.577 122.989 120.400 0.019 0.000 2.426 9 K HA 0.763 5.083 4.320 -0.000 0.000 0.254 9 K C -1.741 174.890 176.600 0.051 0.000 0.936 9 K CA -0.713 55.595 56.287 0.036 0.000 0.801 9 K CB 1.890 34.415 32.500 0.042 0.000 1.139 9 K HN 0.423 nan 8.250 nan 0.000 0.424 10 V N 5.653 125.606 119.914 0.064 0.000 2.888 10 V HA 0.573 4.693 4.120 -0.000 0.000 0.309 10 V C -1.867 174.305 176.094 0.131 0.000 1.114 10 V CA -0.787 61.566 62.300 0.088 0.000 0.940 10 V CB 1.651 33.508 31.823 0.056 0.000 1.021 10 V HN 0.776 nan 8.190 nan 0.000 0.426 11 F N 4.820 124.794 119.950 0.041 0.000 2.480 11 F HA 0.629 5.156 4.527 -0.000 0.000 0.329 11 F C -0.305 175.549 175.800 0.090 0.000 1.091 11 F CA -0.473 57.559 58.000 0.054 0.000 0.972 11 F CB 1.524 40.543 39.000 0.031 0.000 1.150 11 F HN 0.761 nan 8.300 nan 0.000 0.467 12 H N 5.080 123.869 119.070 -0.467 0.000 2.741 12 H HA 0.258 4.813 4.556 -0.001 0.000 0.282 12 H C 0.741 176.056 175.328 -0.021 0.000 1.122 12 H CA -0.237 55.699 56.048 -0.187 0.000 1.293 12 H CB 0.786 30.407 29.762 -0.234 0.000 1.415 12 H HN 0.610 nan 8.280 nan 0.000 0.472 13 Q N 3.623 123.336 119.800 -0.144 0.000 2.084 13 Q HA 0.012 4.352 4.340 -0.000 0.000 0.202 13 Q C 1.476 177.251 176.000 -0.375 0.000 0.978 13 Q CA 1.557 57.296 55.803 -0.107 0.000 0.844 13 Q CB 0.185 28.900 28.738 -0.039 0.000 0.898 13 Q HN 1.071 nan 8.270 nan 0.000 0.426 14 G N -0.510 107.770 108.800 -0.867 0.000 2.799 14 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.200 14 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.200 14 G C 1.099 175.840 174.900 -0.266 0.000 1.206 14 G CA 0.685 45.360 45.100 -0.708 0.000 0.827 14 G HN 0.411 nan 8.290 nan 0.000 0.511 15 T N -1.334 113.123 114.554 -0.161 0.000 3.037 15 T HA 0.483 4.833 4.350 -0.000 0.000 0.251 15 T C 0.909 175.585 174.700 -0.041 0.000 1.079 15 T CA 0.593 62.657 62.100 -0.060 0.000 1.067 15 T CB 0.432 69.279 68.868 -0.035 0.000 0.948 15 T HN 0.337 nan 8.240 nan 0.000 0.496 16 R N 1.584 122.046 120.500 -0.064 0.000 2.513 16 R HA 0.597 4.937 4.340 -0.000 0.000 0.301 16 R C -1.230 175.081 176.300 0.018 0.000 0.968 16 R CA -0.349 55.744 56.100 -0.012 0.000 0.872 16 R CB 1.746 32.046 30.300 0.001 0.000 1.177 16 R HN 0.144 nan 8.270 nan 0.000 0.444 17 T N 3.267 117.851 114.554 0.051 0.000 2.792 17 T HA 0.552 4.902 4.350 -0.000 0.000 0.280 17 T C -0.492 174.244 174.700 0.059 0.000 0.990 17 T CA -0.491 61.657 62.100 0.080 0.000 0.960 17 T CB 1.331 70.253 68.868 0.089 0.000 0.939 17 T HN 0.372 nan 8.240 nan 0.000 0.439 18 I N 2.633 123.243 120.570 0.068 0.000 2.545 18 I HA 0.358 4.528 4.170 -0.000 0.000 0.292 18 I C -0.969 175.177 176.117 0.048 0.000 1.040 18 I CA -0.700 60.631 61.300 0.051 0.000 1.068 18 I CB 2.086 40.115 38.000 0.048 0.000 1.251 18 I HN 0.389 nan 8.210 nan 0.000 0.424 19 Q N 5.988 125.808 119.800 0.033 0.000 2.294 19 Q HA 0.524 4.864 4.340 -0.000 0.000 0.257 19 Q C -0.072 175.943 176.000 0.024 0.000 0.955 19 Q CA -0.020 55.799 55.803 0.027 0.000 0.936 19 Q CB 1.675 30.423 28.738 0.018 0.000 1.188 19 Q HN 0.845 nan 8.270 nan 0.000 0.420 20 A N 4.050 126.886 122.820 0.027 0.000 2.284 20 A HA 0.412 4.732 4.320 -0.000 0.000 0.219 20 A C 0.186 177.778 177.584 0.014 0.000 2.353 20 A CA -0.036 52.014 52.037 0.022 0.000 1.164 20 A CB 0.183 19.203 19.000 0.033 0.000 1.293 20 A HN 0.592 nan 8.150 nan 0.000 0.586 21 L N 1.253 122.485 121.223 0.015 0.000 2.309 21 L HA 0.435 4.775 4.340 -0.000 0.000 0.282 21 L C -1.436 175.437 176.870 0.005 0.000 1.036 21 L CA -0.418 54.426 54.840 0.007 0.000 0.806 21 L CB 1.321 43.383 42.059 0.005 0.000 1.220 21 L HN 0.486 nan 8.230 nan 0.000 0.429 22 N N 3.034 121.734 118.700 -0.001 0.000 2.549 22 N HA 0.268 5.008 4.740 -0.000 0.000 0.281 22 N C -0.899 174.607 175.510 -0.008 0.000 1.084 22 N CA -0.670 52.378 53.050 -0.003 0.000 0.862 22 N CB 0.960 39.446 38.487 -0.002 0.000 1.333 22 N HN 0.446 nan 8.380 nan 0.000 0.523 23 N N -0.025 118.669 118.700 -0.009 0.000 2.714 23 N HA -0.141 4.599 4.740 -0.000 0.000 0.252 23 N C -0.986 174.514 175.510 -0.017 0.000 1.014 23 N CA 0.789 53.831 53.050 -0.013 0.000 0.735 23 N CB -0.962 37.517 38.487 -0.013 0.000 0.924 23 N HN 0.419 nan 8.380 nan 0.000 0.540 24 V N -2.607 117.296 119.914 -0.018 0.000 2.435 24 V HA 0.822 4.942 4.120 -0.000 0.000 0.290 24 V C 0.520 176.597 176.094 -0.028 0.000 1.030 24 V CA -0.684 61.603 62.300 -0.022 0.000 0.881 24 V CB 2.375 34.186 31.823 -0.020 0.000 0.983 24 V HN 0.122 nan 8.190 nan 0.000 0.445 25 S N 4.656 120.337 115.700 -0.031 0.000 2.526 25 S HA 0.846 5.316 4.470 -0.000 0.000 0.293 25 S C -0.951 173.618 174.600 -0.052 0.000 1.092 25 S CA -0.511 57.667 58.200 -0.037 0.000 0.980 25 S CB 1.668 64.852 63.200 -0.026 0.000 1.048 25 S HN 0.883 nan 8.310 nan 0.000 0.483 26 L N 2.882 124.053 121.223 -0.087 0.000 2.385 26 L HA 0.559 4.899 4.340 -0.000 0.000 0.273 26 L C -1.141 175.640 176.870 -0.148 0.000 0.990 26 L CA -0.383 54.355 54.840 -0.170 0.000 0.821 26 L CB 1.648 43.533 42.059 -0.291 0.000 1.279 26 L HN 0.820 nan 8.230 nan 0.000 0.412 27 H N 3.862 122.794 119.070 -0.231 0.000 2.623 27 H HA 0.669 5.225 4.556 -0.000 0.000 0.299 27 H C -1.542 173.671 175.328 -0.191 0.000 1.052 27 H CA -0.432 55.526 56.048 -0.150 0.000 1.231 27 H CB 1.010 30.743 29.762 -0.048 0.000 1.389 27 H HN 0.357 nan 8.280 nan 0.000 0.469 28 V N 9.088 128.727 119.914 -0.459 0.000 2.376 28 V HA 0.300 4.419 4.120 -0.000 0.000 0.287 28 V C -2.177 173.731 176.094 -0.311 0.000 1.015 28 V CA -1.709 60.398 62.300 -0.321 0.000 0.834 28 V CB 1.401 33.057 31.823 -0.279 0.000 1.001 28 V HN 0.801 nan 8.190 nan 0.000 0.428 29 P HA 0.240 nan 4.420 nan 0.000 0.276 29 P C -0.092 177.157 177.300 -0.086 0.000 1.235 29 P CA 0.063 63.055 63.100 -0.180 0.000 0.772 29 P CB 1.218 32.863 31.700 -0.091 0.000 0.871 30 A N 3.078 125.854 122.820 -0.073 0.000 2.520 30 A HA 0.390 4.709 4.320 -0.000 0.000 0.235 30 A C 1.491 179.060 177.584 -0.024 0.000 1.065 30 A CA 0.773 52.784 52.037 -0.044 0.000 0.764 30 A CB -1.312 17.667 19.000 -0.034 0.000 1.002 30 A HN 0.922 nan 8.150 nan 0.000 0.502 31 G N 0.650 109.440 108.800 -0.016 0.000 2.137 31 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.237 31 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.237 31 G C -0.057 174.842 174.900 -0.002 0.000 1.002 31 G CA 0.643 45.738 45.100 -0.008 0.000 0.702 31 G HN 1.040 nan 8.290 nan 0.000 0.515 32 Q N -1.249 118.552 119.800 0.002 0.000 2.456 32 Q HA 0.661 5.001 4.340 -0.000 0.000 0.283 32 Q C -0.432 175.584 176.000 0.027 0.000 1.084 32 Q CA -1.021 54.790 55.803 0.013 0.000 0.801 32 Q CB 2.112 30.863 28.738 0.021 0.000 1.434 32 Q HN 0.284 nan 8.270 nan 0.000 0.419 33 I N 2.013 122.593 120.570 0.016 0.000 2.297 33 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 33 I C -1.071 175.054 176.117 0.014 0.000 1.033 33 I CA -0.502 60.807 61.300 0.016 0.000 1.253 33 I CB 0.311 38.305 38.000 -0.011 0.000 1.396 33 I HN 0.487 nan 8.210 nan 0.000 0.476 34 Y N 5.674 125.947 120.300 -0.045 0.000 2.328 34 Y HA 0.620 5.170 4.550 -0.000 0.000 0.337 34 Y C 0.473 176.347 175.900 -0.044 0.000 1.008 34 Y CA -0.595 57.477 58.100 -0.046 0.000 1.129 34 Y CB 1.584 40.012 38.460 -0.053 0.000 1.185 34 Y HN 0.517 nan 8.280 nan 0.000 0.476 35 G N 5.129 113.738 108.800 -0.318 0.000 2.422 35 G HA2 0.504 4.463 3.960 -0.000 0.000 0.317 35 G HA3 0.504 4.463 3.960 -0.000 0.000 0.317 35 G C -1.704 173.132 174.900 -0.107 0.000 1.210 35 G CA -0.567 44.454 45.100 -0.132 0.000 0.930 35 G HN 0.549 nan 8.290 nan 0.000 0.468 36 V N 5.104 125.056 119.914 0.063 0.000 2.348 36 V HA 0.327 4.447 4.120 -0.000 0.000 0.270 36 V C -0.162 175.943 176.094 0.018 0.000 1.037 36 V CA -0.789 61.564 62.300 0.089 0.000 0.872 36 V CB 1.216 33.113 31.823 0.124 0.000 1.002 36 V HN 0.653 nan 8.190 nan 0.000 0.464 37 I N 5.147 125.712 120.570 -0.009 0.000 2.389 37 I HA 0.803 4.973 4.170 -0.000 0.000 0.288 37 I C 0.111 176.220 176.117 -0.014 0.000 0.999 37 I CA 0.019 61.310 61.300 -0.015 0.000 1.129 37 I CB 1.254 39.235 38.000 -0.031 0.000 1.288 37 I HN 0.650 nan 8.210 nan 0.000 0.444 38 G N 5.831 114.622 108.800 -0.015 0.000 2.591 38 G HA2 0.687 4.647 3.960 -0.000 0.000 0.306 38 G HA3 0.687 4.647 3.960 -0.000 0.000 0.306 38 G C -0.414 174.462 174.900 -0.040 0.000 1.334 38 G CA -0.311 44.775 45.100 -0.022 0.000 0.981 38 G HN 0.904 nan 8.290 nan 0.000 0.491 39 A N 1.261 124.055 122.820 -0.043 0.000 2.454 39 A HA 0.488 4.807 4.320 -0.000 0.000 0.256 39 A C 1.223 178.737 177.584 -0.117 0.000 1.132 39 A CA 0.267 52.261 52.037 -0.071 0.000 0.810 39 A CB -0.286 18.685 19.000 -0.047 0.000 1.083 39 A HN 1.179 nan 8.150 nan 0.000 0.516 40 S N -0.526 115.071 115.700 -0.172 0.000 2.552 40 S HA 0.398 4.867 4.470 -0.000 0.000 0.289 40 S C 1.294 175.832 174.600 -0.105 0.000 1.304 40 S CA 0.756 58.836 58.200 -0.200 0.000 1.063 40 S CB 0.267 63.351 63.200 -0.194 0.000 0.848 40 S HN 2.254 nan 8.310 nan 0.000 0.499 41 G N 1.736 110.485 108.800 -0.085 0.000 2.179 41 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 41 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 41 G C 0.850 175.728 174.900 -0.036 0.000 1.010 41 G CA 0.423 45.495 45.100 -0.048 0.000 0.736 41 G HN 1.045 nan 8.290 nan 0.000 0.513 42 A N -0.857 121.938 122.820 -0.042 0.000 1.933 42 A HA 0.422 4.741 4.320 -0.000 0.000 0.218 42 A C 2.944 180.517 177.584 -0.018 0.000 1.175 42 A CA 2.634 54.653 52.037 -0.029 0.000 0.628 42 A CB -0.444 18.537 19.000 -0.031 0.000 0.814 42 A HN 2.534 nan 8.150 nan 0.000 0.444 43 G N -0.927 107.863 108.800 -0.016 0.000 2.201 43 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.212 43 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.212 43 G C 0.944 175.839 174.900 -0.007 0.000 0.994 43 G CA 0.820 45.915 45.100 -0.008 0.000 0.644 43 G HN 0.841 nan 8.290 nan 0.000 0.508 44 K N 0.889 121.283 120.400 -0.011 0.000 2.360 44 K HA 0.133 4.452 4.320 -0.000 0.000 0.201 44 K C 2.141 178.735 176.600 -0.011 0.000 1.046 44 K CA 1.682 57.964 56.287 -0.009 0.000 0.945 44 K CB -0.229 32.265 32.500 -0.010 0.000 0.750 44 K HN 0.231 nan 8.250 nan 0.000 0.464 45 S N 1.164 116.857 115.700 -0.012 0.000 2.370 45 S HA -0.112 4.358 4.470 -0.000 0.000 0.226 45 S C 1.787 176.386 174.600 -0.003 0.000 1.033 45 S CA 1.907 60.101 58.200 -0.009 0.000 1.011 45 S CB -0.349 62.846 63.200 -0.008 0.000 0.852 45 S HN 0.512 nan 8.310 nan 0.000 0.457 46 T N 2.080 116.634 114.554 -0.001 0.000 3.009 46 T HA 0.146 4.496 4.350 -0.000 0.000 0.258 46 T C 1.715 176.416 174.700 0.001 0.000 1.063 46 T CA 0.357 62.459 62.100 0.004 0.000 1.139 46 T CB -0.273 68.600 68.868 0.009 0.000 0.890 46 T HN 0.175 nan 8.240 nan 0.000 0.471 47 L N 3.114 124.335 121.223 -0.005 0.000 2.012 47 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 47 L C 2.186 179.045 176.870 -0.018 0.000 1.073 47 L CA 1.571 56.405 54.840 -0.010 0.000 0.748 47 L CB -0.825 41.226 42.059 -0.013 0.000 0.891 47 L HN 0.280 nan 8.230 nan 0.000 0.431 48 I N -1.422 119.132 120.570 -0.026 0.000 2.286 48 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 48 I C 2.418 178.515 176.117 -0.034 0.000 1.115 48 I CA 1.534 62.809 61.300 -0.041 0.000 1.392 48 I CB -1.848 36.116 38.000 -0.061 0.000 1.065 48 I HN 0.333 nan 8.210 nan 0.000 0.418 49 R N 0.453 120.941 120.500 -0.020 0.000 2.152 49 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 49 R C 2.442 178.743 176.300 0.001 0.000 1.117 49 R CA 1.695 57.793 56.100 -0.003 0.000 0.981 49 R CB -0.646 29.665 30.300 0.018 0.000 0.870 49 R HN 0.466 nan 8.270 nan 0.000 0.451 50 C N -0.109 119.190 119.300 -0.001 0.000 2.425 50 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 50 C C 2.662 177.647 174.990 -0.008 0.000 1.280 50 C CA 0.346 59.365 59.018 0.002 0.000 1.744 50 C CB -0.678 27.062 27.740 -0.001 0.000 1.989 50 C HN 0.284 nan 8.230 nan 0.000 0.491 51 V N 3.030 122.931 119.914 -0.021 0.000 2.343 51 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 51 V C 2.079 178.158 176.094 -0.024 0.000 1.051 51 V CA 2.393 64.674 62.300 -0.031 0.000 1.036 51 V CB -0.705 31.091 31.823 -0.045 0.000 0.654 51 V HN 0.808 nan 8.190 nan 0.000 0.451 52 N N 0.485 119.174 118.700 -0.019 0.000 2.230 52 N HA 0.048 4.788 4.740 -0.000 0.000 0.202 52 N C 0.917 176.429 175.510 0.002 0.000 1.119 52 N CA 0.031 53.075 53.050 -0.010 0.000 0.851 52 N CB 0.821 39.302 38.487 -0.010 0.000 0.990 52 N HN 0.330 nan 8.380 nan 0.000 0.497 53 L N 0.202 121.428 121.223 0.004 0.000 3.730 53 L HA -0.194 4.146 4.340 -0.000 0.000 0.410 53 L C 0.289 177.173 176.870 0.023 0.000 1.234 53 L CA 0.222 55.071 54.840 0.014 0.000 0.911 53 L CB -1.734 40.333 42.059 0.013 0.000 1.942 53 L HN 0.229 nan 8.230 nan 0.000 0.860 54 L N -0.715 120.523 121.223 0.025 0.000 2.056 54 L HA 0.004 4.344 4.340 -0.000 0.000 0.207 54 L C 1.050 177.939 176.870 0.032 0.000 1.078 54 L CA 1.402 56.262 54.840 0.034 0.000 0.749 54 L CB -0.054 42.033 42.059 0.046 0.000 0.901 54 L HN 0.473 nan 8.230 nan 0.000 0.433 55 E N -0.112 120.107 120.200 0.031 0.000 2.176 55 E HA 0.330 4.680 4.350 -0.000 0.000 0.267 55 E C -0.674 175.959 176.600 0.055 0.000 0.893 55 E CA -0.638 55.786 56.400 0.039 0.000 0.761 55 E CB 1.578 31.296 29.700 0.030 0.000 1.133 55 E HN 0.097 nan 8.360 nan 0.000 0.409 56 R N 3.499 124.049 120.500 0.083 0.000 2.442 56 R HA 0.151 4.491 4.340 -0.000 0.000 0.291 56 R C -2.017 174.330 176.300 0.079 0.000 1.069 56 R CA -1.104 55.042 56.100 0.078 0.000 1.022 56 R CB 0.097 30.451 30.300 0.090 0.000 0.976 56 R HN 0.281 nan 8.270 nan 0.000 0.443 57 P HA 0.102 nan 4.420 nan 0.000 0.286 57 P C -0.105 177.214 177.300 0.031 0.000 1.261 57 P CA -0.452 62.672 63.100 0.040 0.000 0.821 57 P CB 1.561 33.273 31.700 0.021 0.000 1.013 58 T N 0.878 115.449 114.554 0.029 0.000 2.708 58 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 58 T C 0.554 175.252 174.700 -0.003 0.000 1.037 58 T CA 1.486 63.591 62.100 0.009 0.000 1.146 58 T CB -0.127 68.745 68.868 0.007 0.000 0.865 58 T HN 0.543 nan 8.240 nan 0.000 0.435 59 E N -1.346 118.853 120.200 -0.002 0.000 2.408 59 E HA 0.539 4.889 4.350 -0.000 0.000 0.275 59 E C -0.279 176.317 176.600 -0.006 0.000 0.935 59 E CA -0.605 55.790 56.400 -0.007 0.000 0.775 59 E CB 2.522 32.216 29.700 -0.011 0.000 1.277 59 E HN 0.373 nan 8.360 nan 0.000 0.455 60 G N 0.470 109.265 108.800 -0.009 0.000 2.525 60 G HA2 -0.090 3.869 3.960 -0.000 0.000 0.685 60 G HA3 -0.090 3.869 3.960 -0.000 0.000 0.685 60 G C -0.993 173.901 174.900 -0.009 0.000 1.290 60 G CA -0.702 44.392 45.100 -0.010 0.000 0.915 60 G HN 0.382 nan 8.290 nan 0.000 0.548 61 S N -0.961 114.732 115.700 -0.011 0.000 2.473 61 S HA 0.696 5.166 4.470 -0.000 0.000 0.307 61 S C -0.107 174.484 174.600 -0.015 0.000 1.094 61 S CA -0.586 57.607 58.200 -0.012 0.000 1.070 61 S CB 1.906 65.099 63.200 -0.011 0.000 1.019 61 S HN 1.191 nan 8.310 nan 0.000 0.480 62 V N 4.119 124.024 119.914 -0.016 0.000 2.409 62 V HA 0.509 4.629 4.120 -0.000 0.000 0.291 62 V C -0.834 175.246 176.094 -0.022 0.000 1.020 62 V CA -0.701 61.585 62.300 -0.022 0.000 0.848 62 V CB 1.378 33.188 31.823 -0.021 0.000 0.990 62 V HN 0.707 nan 8.190 nan 0.000 0.430 63 L N 7.118 128.324 121.223 -0.028 0.000 2.319 63 L HA 0.780 5.120 4.340 -0.000 0.000 0.281 63 L C -0.767 176.082 176.870 -0.034 0.000 1.005 63 L CA 0.003 54.827 54.840 -0.026 0.000 0.828 63 L CB 1.637 43.684 42.059 -0.020 0.000 1.227 63 L HN 0.437 nan 8.230 nan 0.000 0.415 64 V N 4.636 124.533 119.914 -0.029 0.000 2.638 64 V HA 0.410 4.530 4.120 -0.000 0.000 0.306 64 V C -0.177 175.903 176.094 -0.023 0.000 1.052 64 V CA -0.567 61.714 62.300 -0.031 0.000 0.885 64 V CB 1.592 33.395 31.823 -0.033 0.000 0.999 64 V HN 0.780 nan 8.190 nan 0.000 0.424 65 D N 3.746 124.132 120.400 -0.025 0.000 2.772 65 D HA -0.172 4.468 4.640 -0.000 0.000 0.233 65 D C 1.241 177.533 176.300 -0.014 0.000 1.143 65 D CA 2.093 56.082 54.000 -0.018 0.000 0.700 65 D CB -1.107 39.684 40.800 -0.015 0.000 1.076 65 D HN 1.606 nan 8.370 nan 0.000 0.430 66 G N -0.730 108.061 108.800 -0.014 0.000 2.184 66 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.264 66 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.264 66 G C 0.188 175.083 174.900 -0.009 0.000 0.975 66 G CA 0.697 45.791 45.100 -0.010 0.000 0.642 66 G HN 0.586 nan 8.290 nan 0.000 0.536 67 Q N 0.170 119.964 119.800 -0.011 0.000 2.333 67 Q HA 0.526 4.866 4.340 -0.000 0.000 0.267 67 Q C -0.703 175.290 176.000 -0.011 0.000 1.012 67 Q CA -0.506 55.291 55.803 -0.009 0.000 0.824 67 Q CB 1.714 30.447 28.738 -0.008 0.000 1.290 67 Q HN 0.503 nan 8.270 nan 0.000 0.449 68 E N 2.217 122.412 120.200 -0.009 0.000 2.156 68 E HA 0.235 4.585 4.350 -0.000 0.000 0.279 68 E C -0.938 175.657 176.600 -0.008 0.000 0.965 68 E CA -0.667 55.727 56.400 -0.011 0.000 0.789 68 E CB 1.145 30.839 29.700 -0.010 0.000 1.098 68 E HN 0.270 nan 8.360 nan 0.000 0.397 69 L N 2.614 123.832 121.223 -0.009 0.000 2.453 69 L HA 0.129 4.469 4.340 -0.000 0.000 0.272 69 L C 0.360 177.229 176.870 -0.003 0.000 1.182 69 L CA 0.785 55.622 54.840 -0.005 0.000 0.858 69 L CB 0.724 42.780 42.059 -0.004 0.000 1.120 69 L HN 0.464 nan 8.230 nan 0.000 0.474 70 T N 1.374 115.928 114.554 -0.000 0.000 2.812 70 T HA 0.215 4.565 4.350 -0.000 0.000 0.282 70 T C 1.144 175.846 174.700 0.004 0.000 0.990 70 T CA -0.523 61.577 62.100 0.001 0.000 0.960 70 T CB 1.549 70.416 68.868 -0.000 0.000 0.948 70 T HN 0.682 nan 8.240 nan 0.000 0.438 71 T N 3.161 117.719 114.554 0.007 0.000 2.788 71 T HA -0.052 4.298 4.350 -0.000 0.000 0.268 71 T C 2.107 176.814 174.700 0.012 0.000 1.044 71 T CA 1.139 63.246 62.100 0.013 0.000 1.139 71 T CB -0.235 68.644 68.868 0.018 0.000 0.867 71 T HN 0.421 nan 8.240 nan 0.000 0.454 72 L N 1.572 122.799 121.223 0.008 0.000 2.046 72 L HA -0.048 4.291 4.340 -0.000 0.000 0.208 72 L C 1.563 178.437 176.870 0.007 0.000 1.077 72 L CA 0.767 55.611 54.840 0.007 0.000 0.747 72 L CB -0.675 41.386 42.059 0.003 0.000 0.896 72 L HN 0.249 nan 8.230 nan 0.000 0.432 73 S N -0.231 115.473 115.700 0.005 0.000 3.530 73 S HA 0.080 4.550 4.470 -0.000 0.000 0.279 73 S C 0.924 175.528 174.600 0.007 0.000 1.280 73 S CA -0.504 57.699 58.200 0.005 0.000 0.946 73 S CB 0.437 63.639 63.200 0.003 0.000 1.501 73 S HN 0.189 nan 8.310 nan 0.000 0.498 74 E N 2.443 122.648 120.200 0.008 0.000 2.072 74 E HA -0.078 4.272 4.350 -0.000 0.000 0.190 74 E C 1.719 178.324 176.600 0.009 0.000 0.982 74 E CA 0.947 57.353 56.400 0.010 0.000 0.803 74 E CB -0.189 29.519 29.700 0.012 0.000 0.755 74 E HN 0.705 nan 8.360 nan 0.000 0.453 75 S N 1.239 116.943 115.700 0.007 0.000 2.368 75 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 75 S C 1.719 176.323 174.600 0.006 0.000 1.030 75 S CA 0.925 59.128 58.200 0.006 0.000 0.999 75 S CB -0.080 63.123 63.200 0.005 0.000 0.844 75 S HN 0.236 nan 8.310 nan 0.000 0.459 76 E N 0.928 121.131 120.200 0.005 0.000 2.106 76 E HA -0.061 4.288 4.350 -0.000 0.000 0.192 76 E C 2.121 178.723 176.600 0.004 0.000 0.984 76 E CA 0.527 56.929 56.400 0.004 0.000 0.806 76 E CB -0.475 29.227 29.700 0.003 0.000 0.750 76 E HN 0.347 nan 8.360 nan 0.000 0.458 77 L N 1.331 122.557 121.223 0.006 0.000 2.079 77 L HA -0.148 4.191 4.340 -0.000 0.000 0.210 77 L C 2.155 179.030 176.870 0.008 0.000 1.081 77 L CA 1.829 56.673 54.840 0.007 0.000 0.752 77 L CB -0.875 41.190 42.059 0.009 0.000 0.896 77 L HN 0.028 nan 8.230 nan 0.000 0.433 78 T N -0.398 114.161 114.554 0.008 0.000 2.684 78 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 78 T C 1.889 176.593 174.700 0.007 0.000 1.036 78 T CA 1.911 64.016 62.100 0.009 0.000 1.148 78 T CB -0.168 68.705 68.868 0.008 0.000 0.863 78 T HN 0.357 nan 8.240 nan 0.000 0.436 79 K N 1.060 121.463 120.400 0.006 0.000 2.057 79 K HA 0.083 4.403 4.320 -0.000 0.000 0.206 79 K C 2.674 179.276 176.600 0.003 0.000 1.050 79 K CA 1.064 57.353 56.287 0.004 0.000 0.935 79 K CB -0.279 32.223 32.500 0.003 0.000 0.715 79 K HN 0.271 nan 8.250 nan 0.000 0.439 80 A N 1.704 124.526 122.820 0.003 0.000 1.978 80 A HA -0.184 4.135 4.320 -0.000 0.000 0.220 80 A C 1.993 179.578 177.584 0.001 0.000 1.170 80 A CA 1.289 53.327 52.037 0.001 0.000 0.636 80 A CB -0.395 18.605 19.000 0.000 0.000 0.810 80 A HN 0.223 nan 8.150 nan 0.000 0.448 81 R N -0.706 119.796 120.500 0.004 0.000 2.120 81 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 81 R C 2.303 178.606 176.300 0.005 0.000 1.123 81 R CA 1.317 57.421 56.100 0.006 0.000 0.975 81 R CB -0.281 30.026 30.300 0.012 0.000 0.866 81 R HN 0.508 nan 8.270 nan 0.000 0.446 82 R N 0.354 120.857 120.500 0.004 0.000 2.120 82 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 82 R C 2.185 178.484 176.300 -0.001 0.000 1.123 82 R CA 0.977 57.079 56.100 0.003 0.000 0.975 82 R CB -0.096 30.206 30.300 0.002 0.000 0.866 82 R HN 0.246 nan 8.270 nan 0.000 0.446 83 Q N 0.376 120.174 119.800 -0.003 0.000 2.124 83 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 83 Q C 1.149 177.143 176.000 -0.010 0.000 0.977 83 Q CA 0.987 56.786 55.803 -0.007 0.000 0.850 83 Q CB -0.029 28.704 28.738 -0.008 0.000 0.901 83 Q HN 0.376 nan 8.270 nan 0.000 0.429 84 I N 0.187 120.751 120.570 -0.011 0.000 2.412 84 I HA 0.510 4.679 4.170 -0.000 0.000 0.296 84 I C -0.338 175.770 176.117 -0.014 0.000 0.987 84 I CA -0.640 60.651 61.300 -0.017 0.000 1.180 84 I CB 1.643 39.630 38.000 -0.022 0.000 1.340 84 I HN -0.015 nan 8.210 nan 0.000 0.455 85 G N 7.021 115.809 108.800 -0.020 0.000 2.454 85 G HA2 0.639 4.599 3.960 -0.000 0.000 0.329 85 G HA3 0.639 4.599 3.960 -0.000 0.000 0.329 85 G C -1.280 173.595 174.900 -0.043 0.000 1.177 85 G CA -0.757 44.333 45.100 -0.017 0.000 0.951 85 G HN 0.659 nan 8.290 nan 0.000 0.485 86 M N 0.478 120.051 119.600 -0.045 0.000 2.593 86 M HA 0.701 5.181 4.480 -0.000 0.000 0.290 86 M C -1.599 174.618 176.300 -0.139 0.000 1.244 86 M CA -0.804 54.413 55.300 -0.138 0.000 0.857 86 M CB 2.436 34.901 32.600 -0.225 0.000 1.738 86 M HN 0.437 nan 8.290 nan 0.000 0.461 87 I N 0.799 121.184 120.570 -0.308 0.000 3.108 87 I HA 0.592 4.762 4.170 -0.000 0.000 0.312 87 I C -1.548 174.249 176.117 -0.533 0.000 1.095 87 I CA -0.698 60.488 61.300 -0.191 0.000 1.000 87 I CB 2.573 40.513 38.000 -0.100 0.000 1.229 87 I HN 0.575 nan 8.210 nan 0.000 0.454 88 F N 0.319 120.226 119.950 -0.071 0.000 2.611 88 F HA 0.351 4.878 4.527 -0.001 0.000 0.324 88 F C 1.097 176.764 175.800 -0.221 0.000 1.061 88 F CA -0.444 57.490 58.000 -0.109 0.000 0.954 88 F CB 1.535 40.504 39.000 -0.052 0.000 1.301 88 F HN 0.394 nan 8.300 nan 0.000 0.482 89 Q N -0.357 119.435 119.800 -0.013 0.000 2.084 89 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 89 Q C -0.438 175.245 176.000 -0.528 0.000 0.978 89 Q CA 1.479 57.097 55.803 -0.309 0.000 0.844 89 Q CB -0.123 28.379 28.738 -0.393 0.000 0.898 89 Q HN 0.546 nan 8.270 nan 0.000 0.426 90 H N -2.133 116.892 119.070 -0.075 0.000 2.573 90 H HA 0.150 4.706 4.556 -0.000 0.000 0.351 90 H C 0.011 175.257 175.328 -0.136 0.000 1.163 90 H CA -0.791 55.183 56.048 -0.123 0.000 1.205 90 H CB 0.992 30.746 29.762 -0.014 0.000 1.605 90 H HN -0.057 nan 8.280 nan 0.000 0.525 91 F N 0.432 120.468 119.950 0.144 0.000 2.134 91 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 91 F C 0.675 176.515 175.800 0.066 0.000 1.097 91 F CA 0.759 58.819 58.000 0.100 0.000 1.264 91 F CB -0.184 38.853 39.000 0.062 0.000 1.001 91 F HN 0.533 nan 8.300 nan 0.000 0.479 92 N N 0.942 119.756 118.700 0.190 0.000 2.708 92 N HA -0.181 4.558 4.740 -0.000 0.000 0.255 92 N C -1.144 174.370 175.510 0.006 0.000 1.046 92 N CA 0.454 53.508 53.050 0.006 0.000 0.715 92 N CB -1.710 36.652 38.487 -0.209 0.000 0.895 92 N HN 0.236 nan 8.380 nan 0.000 0.545 93 L N 0.238 121.486 121.223 0.042 0.000 2.325 93 L HA 0.500 4.840 4.340 -0.000 0.000 0.278 93 L C 0.944 177.809 176.870 -0.009 0.000 1.023 93 L CA -0.877 53.977 54.840 0.023 0.000 0.811 93 L CB 1.290 43.368 42.059 0.030 0.000 1.249 93 L HN 0.025 nan 8.230 nan 0.000 0.431 94 L N 1.778 122.992 121.223 -0.016 0.000 2.453 94 L HA 0.085 4.425 4.340 -0.000 0.000 0.272 94 L C 1.262 178.117 176.870 -0.025 0.000 1.182 94 L CA -0.022 54.804 54.840 -0.023 0.000 0.858 94 L CB 1.188 43.237 42.059 -0.018 0.000 1.120 94 L HN 0.829 nan 8.230 nan 0.000 0.474 95 S N -0.967 114.714 115.700 -0.032 0.000 2.575 95 S HA -0.074 4.396 4.470 -0.000 0.000 0.215 95 S C 1.689 176.266 174.600 -0.039 0.000 0.966 95 S CA 0.359 58.533 58.200 -0.043 0.000 0.911 95 S CB 0.401 63.574 63.200 -0.046 0.000 0.780 95 S HN 0.699 nan 8.310 nan 0.000 0.514 96 S N 1.348 117.032 115.700 -0.027 0.000 2.423 96 S HA 0.131 4.601 4.470 -0.000 0.000 0.231 96 S C 0.831 175.423 174.600 -0.012 0.000 1.014 96 S CA 0.237 58.425 58.200 -0.018 0.000 0.965 96 S CB -0.102 63.092 63.200 -0.011 0.000 0.785 96 S HN 0.584 nan 8.310 nan 0.000 0.495 97 R N 0.962 121.456 120.500 -0.010 0.000 2.787 97 R HA 0.426 4.765 4.340 -0.000 0.000 0.271 97 R C 0.098 176.397 176.300 -0.002 0.000 0.993 97 R CA -0.342 55.763 56.100 0.008 0.000 0.993 97 R CB 1.410 31.729 30.300 0.030 0.000 1.155 97 R HN 0.332 nan 8.270 nan 0.000 0.486 98 T N -2.176 112.399 114.554 0.035 0.000 2.788 98 T HA 0.087 4.437 4.350 -0.000 0.000 0.280 98 T C 1.455 176.209 174.700 0.090 0.000 0.984 98 T CA -0.854 61.277 62.100 0.051 0.000 0.972 98 T CB 0.833 69.757 68.868 0.094 0.000 1.039 98 T HN 0.179 nan 8.240 nan 0.000 0.530 99 V N 0.542 120.527 119.914 0.118 0.000 2.287 99 V HA -0.082 4.038 4.120 -0.000 0.000 0.248 99 V C 2.087 178.258 176.094 0.129 0.000 1.053 99 V CA 2.150 64.520 62.300 0.116 0.000 1.027 99 V CB -1.168 30.755 31.823 0.166 0.000 0.646 99 V HN 0.875 nan 8.190 nan 0.000 0.447 100 F N 1.677 121.657 119.950 0.050 0.000 2.134 100 F HA -0.081 4.446 4.527 -0.000 0.000 0.299 100 F C 2.149 177.966 175.800 0.028 0.000 1.097 100 F CA 1.777 59.800 58.000 0.040 0.000 1.264 100 F CB -0.752 38.269 39.000 0.036 0.000 1.001 100 F HN 0.144 nan 8.300 nan 0.000 0.479 101 G N 0.440 109.415 108.800 0.292 0.000 2.418 101 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.217 101 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.217 101 G C 1.563 176.444 174.900 -0.031 0.000 1.158 101 G CA 0.982 46.170 45.100 0.146 0.000 0.771 101 G HN 0.405 nan 8.290 nan 0.000 0.545 102 N N 0.384 119.071 118.700 -0.021 0.000 2.120 102 N HA -0.119 4.620 4.740 -0.000 0.000 0.188 102 N C 2.320 177.781 175.510 -0.081 0.000 1.024 102 N CA 1.422 54.451 53.050 -0.035 0.000 0.852 102 N CB -0.262 38.221 38.487 -0.008 0.000 1.003 102 N HN 0.172 nan 8.380 nan 0.000 0.424 103 V N 1.986 121.820 119.914 -0.135 0.000 2.392 103 V HA -0.218 3.901 4.120 -0.000 0.000 0.249 103 V C 2.510 178.467 176.094 -0.228 0.000 1.059 103 V CA 1.723 63.924 62.300 -0.164 0.000 1.051 103 V CB -0.839 30.878 31.823 -0.176 0.000 0.658 103 V HN 0.295 nan 8.190 nan 0.000 0.455 104 A N -0.471 122.142 122.820 -0.346 0.000 1.902 104 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 104 A C 2.220 179.733 177.584 -0.118 0.000 1.181 104 A CA 1.850 53.706 52.037 -0.302 0.000 0.623 104 A CB -0.528 18.274 19.000 -0.329 0.000 0.818 104 A HN 0.475 nan 8.150 nan 0.000 0.443 105 L N 0.054 121.234 121.223 -0.072 0.000 1.987 105 L HA -0.230 4.110 4.340 -0.000 0.000 0.230 105 L C -0.152 176.703 176.870 -0.026 0.000 1.089 105 L CA 2.721 57.542 54.840 -0.032 0.000 0.802 105 L CB -1.256 40.791 42.059 -0.019 0.000 0.905 105 L HN 0.283 nan 8.230 nan 0.000 0.441 106 P HA -0.235 nan 4.420 nan 0.000 0.216 106 P C 1.879 179.169 177.300 -0.016 0.000 1.157 106 P CA 1.926 65.017 63.100 -0.015 0.000 0.880 106 P CB -0.150 31.544 31.700 -0.011 0.000 0.791 107 L N -0.333 120.872 121.223 -0.030 0.000 2.042 107 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 107 L C 2.943 179.807 176.870 -0.011 0.000 1.076 107 L CA 1.690 56.516 54.840 -0.023 0.000 0.749 107 L CB -1.106 40.930 42.059 -0.038 0.000 0.893 107 L HN 0.059 nan 8.230 nan 0.000 0.432 108 E N 0.711 120.903 120.200 -0.014 0.000 2.077 108 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 108 E C 2.356 178.958 176.600 0.004 0.000 0.989 108 E CA 0.996 57.397 56.400 0.001 0.000 0.800 108 E CB 0.005 29.706 29.700 0.001 0.000 0.746 108 E HN 0.466 nan 8.360 nan 0.000 0.452 109 L N 0.657 121.880 121.223 0.000 0.000 2.093 109 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 109 L C 1.901 178.774 176.870 0.004 0.000 1.085 109 L CA 0.977 55.819 54.840 0.003 0.000 0.755 109 L CB -0.230 41.831 42.059 0.002 0.000 0.904 109 L HN 0.174 nan 8.230 nan 0.000 0.435 110 D N -0.710 119.692 120.400 0.003 0.000 2.589 110 D HA -0.031 4.609 4.640 -0.000 0.000 0.262 110 D C 1.643 177.946 176.300 0.005 0.000 1.410 110 D CA 0.590 54.592 54.000 0.004 0.000 1.044 110 D CB -0.416 40.386 40.800 0.003 0.000 1.016 110 D HN 0.141 nan 8.370 nan 0.000 0.349 111 N N 0.420 119.123 118.700 0.005 0.000 2.120 111 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 111 N C 0.079 175.594 175.510 0.009 0.000 1.024 111 N CA 1.727 54.781 53.050 0.006 0.000 0.852 111 N CB -0.029 38.462 38.487 0.005 0.000 1.003 111 N HN 0.279 nan 8.380 nan 0.000 0.424 112 T N -1.110 113.450 114.554 0.009 0.000 3.580 112 T HA -0.122 4.228 4.350 -0.000 0.000 0.402 112 T C -2.856 171.855 174.700 0.018 0.000 0.765 112 T CA -0.126 61.983 62.100 0.014 0.000 2.064 112 T CB -1.763 67.113 68.868 0.014 0.000 1.724 112 T HN 0.176 nan 8.240 nan 0.000 0.719 113 P HA 0.495 nan 4.420 nan 0.000 0.301 113 P C 0.730 178.049 177.300 0.032 0.000 1.399 113 P CA -1.029 62.084 63.100 0.022 0.000 0.950 113 P CB 1.746 33.456 31.700 0.017 0.000 0.972 114 K N 1.141 121.562 120.400 0.035 0.000 2.063 114 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 114 K C 1.094 177.726 176.600 0.052 0.000 1.048 114 K CA 1.442 57.757 56.287 0.047 0.000 0.928 114 K CB -0.029 32.495 32.500 0.040 0.000 0.713 114 K HN 0.409 nan 8.250 nan 0.000 0.442 115 D N 1.007 121.431 120.400 0.039 0.000 2.097 115 D HA -0.156 4.483 4.640 -0.000 0.000 0.195 115 D C 1.778 178.106 176.300 0.047 0.000 0.989 115 D CA 1.220 55.244 54.000 0.039 0.000 0.827 115 D CB -0.092 40.725 40.800 0.028 0.000 0.966 115 D HN 0.298 nan 8.370 nan 0.000 0.456 116 E N 0.302 120.526 120.200 0.040 0.000 2.110 116 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 116 E C 2.310 178.939 176.600 0.048 0.000 0.988 116 E CA 0.484 56.907 56.400 0.037 0.000 0.804 116 E CB 0.130 29.844 29.700 0.023 0.000 0.745 116 E HN 0.075 nan 8.360 nan 0.000 0.458 117 V N 1.609 121.560 119.914 0.061 0.000 2.332 117 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 117 V C 2.109 178.293 176.094 0.150 0.000 1.055 117 V CA 1.806 64.148 62.300 0.071 0.000 1.038 117 V CB -0.401 31.483 31.823 0.102 0.000 0.651 117 V HN 0.209 nan 8.190 nan 0.000 0.450 118 K N -0.217 120.292 120.400 0.182 0.000 2.026 118 K HA -0.178 4.142 4.320 -0.000 0.000 0.208 118 K C 2.407 179.101 176.600 0.158 0.000 1.048 118 K CA 1.564 57.984 56.287 0.222 0.000 0.929 118 K CB -0.268 32.311 32.500 0.132 0.000 0.713 118 K HN 0.413 nan 8.250 nan 0.000 0.439 119 R N 0.592 121.147 120.500 0.092 0.000 2.070 119 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 119 R C 2.480 178.815 176.300 0.057 0.000 1.138 119 R CA 1.491 57.631 56.100 0.067 0.000 0.936 119 R CB -0.252 30.074 30.300 0.043 0.000 0.839 119 R HN 0.155 nan 8.270 nan 0.000 0.429 120 R N 0.190 120.711 120.500 0.035 0.000 2.081 120 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 120 R C 2.358 178.649 176.300 -0.016 0.000 1.131 120 R CA 1.386 57.490 56.100 0.007 0.000 0.960 120 R CB -0.438 29.856 30.300 -0.010 0.000 0.856 120 R HN 0.080 nan 8.270 nan 0.000 0.436 121 V N 0.591 120.473 119.914 -0.053 0.000 2.295 121 V HA -0.244 3.875 4.120 -0.000 0.000 0.246 121 V C 2.184 178.264 176.094 -0.023 0.000 1.049 121 V CA 2.203 64.403 62.300 -0.168 0.000 1.024 121 V CB -0.593 30.898 31.823 -0.554 0.000 0.648 121 V HN 0.408 nan 8.190 nan 0.000 0.447 122 T N -0.334 114.280 114.554 0.100 0.000 2.708 122 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 122 T C 1.817 176.563 174.700 0.076 0.000 1.037 122 T CA 1.846 64.028 62.100 0.137 0.000 1.146 122 T CB -0.248 68.712 68.868 0.153 0.000 0.865 122 T HN 0.598 nan 8.240 nan 0.000 0.435 123 E N 0.535 120.767 120.200 0.053 0.000 2.051 123 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 123 E C 2.157 178.773 176.600 0.027 0.000 0.991 123 E CA 0.921 57.342 56.400 0.036 0.000 0.799 123 E CB -0.257 29.460 29.700 0.028 0.000 0.748 123 E HN 0.262 nan 8.360 nan 0.000 0.449 124 L N 0.581 121.812 121.223 0.014 0.000 2.046 124 L HA -0.187 4.152 4.340 -0.000 0.000 0.208 124 L C 2.278 179.160 176.870 0.020 0.000 1.077 124 L CA 1.313 56.158 54.840 0.009 0.000 0.747 124 L CB -0.488 41.566 42.059 -0.008 0.000 0.896 124 L HN 0.133 nan 8.230 nan 0.000 0.432 125 L N -0.821 120.419 121.223 0.028 0.000 2.083 125 L HA -0.237 4.103 4.340 -0.000 0.000 0.209 125 L C 2.760 179.665 176.870 0.058 0.000 1.083 125 L CA 1.518 56.389 54.840 0.050 0.000 0.752 125 L CB -0.750 41.357 42.059 0.081 0.000 0.899 125 L HN 0.479 nan 8.230 nan 0.000 0.433 126 S N 0.180 115.913 115.700 0.055 0.000 2.368 126 S HA -0.232 4.238 4.470 -0.000 0.000 0.225 126 S C 1.971 176.594 174.600 0.039 0.000 1.030 126 S CA 1.227 59.457 58.200 0.049 0.000 0.999 126 S CB -0.728 62.498 63.200 0.043 0.000 0.844 126 S HN 0.294 nan 8.310 nan 0.000 0.459 127 L N 2.684 123.926 121.223 0.032 0.000 2.046 127 L HA -0.025 4.315 4.340 -0.000 0.000 0.208 127 L C 2.584 179.470 176.870 0.026 0.000 1.077 127 L CA 1.958 56.813 54.840 0.025 0.000 0.747 127 L CB -0.854 41.217 42.059 0.019 0.000 0.896 127 L HN 0.417 nan 8.230 nan 0.000 0.432 128 V N -2.795 117.136 119.914 0.030 0.000 2.427 128 V HA 0.224 4.344 4.120 -0.000 0.000 0.248 128 V C 1.946 178.059 176.094 0.031 0.000 1.051 128 V CA 1.466 63.784 62.300 0.030 0.000 1.048 128 V CB -0.963 30.880 31.823 0.034 0.000 0.666 128 V HN 0.614 nan 8.190 nan 0.000 0.456 129 G N 0.220 109.042 108.800 0.036 0.000 3.006 129 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.195 129 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.195 129 G C 0.099 175.027 174.900 0.048 0.000 1.034 129 G CA -0.038 45.083 45.100 0.034 0.000 0.807 129 G HN 0.673 nan 8.290 nan 0.000 0.469 130 L N -1.624 119.630 121.223 0.052 0.000 2.464 130 L HA 0.933 5.273 4.340 -0.000 0.000 0.264 130 L C 1.690 178.640 176.870 0.133 0.000 1.062 130 L CA 0.146 55.047 54.840 0.101 0.000 0.935 130 L CB -0.050 42.005 42.059 -0.006 0.000 1.603 130 L HN 1.656 nan 8.230 nan 0.000 0.528 131 G N -0.890 108.026 108.800 0.193 0.000 2.527 131 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.218 131 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.218 131 G C 0.774 175.755 174.900 0.134 0.000 1.177 131 G CA 0.407 45.601 45.100 0.156 0.000 0.695 131 G HN 0.646 nan 8.290 nan 0.000 0.517 132 D N 0.873 121.343 120.400 0.116 0.000 2.104 132 D HA -0.023 4.617 4.640 -0.000 0.000 0.194 132 D C 2.164 178.493 176.300 0.048 0.000 0.994 132 D CA 1.510 55.555 54.000 0.075 0.000 0.830 132 D CB -0.068 40.770 40.800 0.062 0.000 0.959 132 D HN 0.549 nan 8.370 nan 0.000 0.452 133 K N -0.771 119.663 120.400 0.057 0.000 2.374 133 K HA 0.081 4.401 4.320 -0.000 0.000 0.202 133 K C 0.429 176.829 176.600 -0.332 0.000 1.040 133 K CA 0.004 56.208 56.287 -0.139 0.000 1.085 133 K CB 0.588 32.956 32.500 -0.219 0.000 0.873 133 K HN 0.128 nan 8.250 nan 0.000 0.539 134 H N 0.526 119.632 119.070 0.059 0.000 2.528 134 H HA 0.010 4.565 4.556 -0.000 0.000 0.282 134 H C 1.104 176.521 175.328 0.149 0.000 1.097 134 H CA -0.101 56.013 56.048 0.109 0.000 1.121 134 H CB 0.313 30.150 29.762 0.125 0.000 1.590 134 H HN 0.237 nan 8.280 nan 0.000 0.553 135 D N -0.241 120.275 120.400 0.192 0.000 2.117 135 D HA -0.146 4.494 4.640 -0.000 0.000 0.197 135 D C 1.581 177.989 176.300 0.180 0.000 0.987 135 D CA 1.115 55.246 54.000 0.218 0.000 0.829 135 D CB -0.112 40.793 40.800 0.175 0.000 0.961 135 D HN 0.172 nan 8.370 nan 0.000 0.460 136 S N -0.451 115.319 115.700 0.117 0.000 2.368 136 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 136 S C 0.609 175.310 174.600 0.169 0.000 1.030 136 S CA 0.299 58.557 58.200 0.097 0.000 0.999 136 S CB -0.597 62.635 63.200 0.052 0.000 0.844 136 S HN 0.379 nan 8.310 nan 0.000 0.459 137 Y N 4.670 125.006 120.300 0.060 0.000 2.425 137 Y HA 0.239 4.789 4.550 -0.000 0.000 0.331 137 Y C -2.261 173.687 175.900 0.080 0.000 1.157 137 Y CA -2.642 55.507 58.100 0.081 0.000 1.372 137 Y CB 0.436 38.987 38.460 0.151 0.000 1.253 137 Y HN 0.104 nan 8.280 nan 0.000 0.536 138 P HA 0.130 nan 4.420 nan 0.000 0.283 138 P C 0.143 177.148 177.300 -0.493 0.000 1.278 138 P CA -0.345 62.549 63.100 -0.342 0.000 0.834 138 P CB 1.420 32.970 31.700 -0.250 0.000 1.150 139 S N -0.042 115.506 115.700 -0.254 0.000 2.490 139 S HA -0.185 4.285 4.470 -0.000 0.000 0.264 139 S C 1.104 175.575 174.600 -0.215 0.000 0.992 139 S CA 1.281 59.366 58.200 -0.192 0.000 0.970 139 S CB -1.200 61.930 63.200 -0.116 0.000 0.739 139 S HN 0.522 nan 8.310 nan 0.000 0.518 140 N N 1.100 119.593 118.700 -0.346 0.000 2.413 140 N HA 0.173 4.912 4.740 -0.000 0.000 0.207 140 N C -0.103 175.436 175.510 0.049 0.000 1.206 140 N CA -0.005 52.935 53.050 -0.183 0.000 0.832 140 N CB -0.306 38.074 38.487 -0.178 0.000 1.037 140 N HN 0.351 nan 8.380 nan 0.000 0.467 141 L N 0.803 122.065 121.223 0.065 0.000 2.436 141 L HA 0.198 4.538 4.340 -0.000 0.000 0.265 141 L C 0.777 177.645 176.870 -0.003 0.000 1.168 141 L CA -0.359 54.626 54.840 0.242 0.000 0.815 141 L CB 0.654 42.789 42.059 0.126 0.000 1.109 141 L HN 0.161 nan 8.230 nan 0.000 0.462 142 S N 2.081 117.759 115.700 -0.036 0.000 2.584 142 S HA 0.284 4.754 4.470 -0.000 0.000 0.270 142 S C 1.226 175.688 174.600 -0.230 0.000 1.346 142 S CA -0.176 57.964 58.200 -0.101 0.000 1.018 142 S CB 0.791 63.951 63.200 -0.067 0.000 0.899 142 S HN 0.924 nan 8.310 nan 0.000 0.542 143 G N 1.063 109.702 108.800 -0.269 0.000 2.440 143 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.218 143 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.218 143 G C 1.363 176.111 174.900 -0.253 0.000 1.154 143 G CA 0.568 45.355 45.100 -0.521 0.000 0.767 143 G HN 1.021 nan 8.290 nan 0.000 0.552 144 G N 0.186 108.957 108.800 -0.047 0.000 2.418 144 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 144 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 144 G C 1.797 176.697 174.900 -0.000 0.000 1.158 144 G CA 1.088 46.212 45.100 0.041 0.000 0.771 144 G HN 0.517 nan 8.290 nan 0.000 0.545 145 Q N 0.045 119.792 119.800 -0.089 0.000 2.084 145 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 145 Q C 2.604 178.537 176.000 -0.112 0.000 0.978 145 Q CA 1.199 56.934 55.803 -0.114 0.000 0.844 145 Q CB -0.119 28.513 28.738 -0.176 0.000 0.898 145 Q HN 0.426 nan 8.270 nan 0.000 0.426 146 K N 0.405 120.651 120.400 -0.256 0.000 2.057 146 K HA -0.233 4.086 4.320 -0.000 0.000 0.207 146 K C 2.146 178.795 176.600 0.083 0.000 1.049 146 K CA 1.342 57.462 56.287 -0.279 0.000 0.931 146 K CB -0.069 31.906 32.500 -0.875 0.000 0.714 146 K HN 0.039 nan 8.250 nan 0.000 0.440 147 Q N 1.421 121.425 119.800 0.341 0.000 2.084 147 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 147 Q C 1.804 177.931 176.000 0.211 0.000 0.978 147 Q CA 1.588 57.684 55.803 0.488 0.000 0.844 147 Q CB 0.012 29.019 28.738 0.448 0.000 0.898 147 Q HN 0.181 nan 8.270 nan 0.000 0.426 148 R N -0.977 119.600 120.500 0.129 0.000 2.096 148 R HA -0.097 4.242 4.340 -0.000 0.000 0.235 148 R C 2.262 178.603 176.300 0.068 0.000 1.127 148 R CA 1.431 57.576 56.100 0.076 0.000 0.968 148 R CB -0.454 29.871 30.300 0.042 0.000 0.861 148 R HN 0.158 nan 8.270 nan 0.000 0.440 149 V N 1.057 121.010 119.914 0.066 0.000 2.343 149 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 149 V C 2.452 178.587 176.094 0.068 0.000 1.051 149 V CA 1.981 64.314 62.300 0.054 0.000 1.036 149 V CB -0.704 31.146 31.823 0.043 0.000 0.654 149 V HN 0.425 nan 8.190 nan 0.000 0.451 150 A N 0.761 123.648 122.820 0.113 0.000 1.902 150 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 150 A C 2.158 179.795 177.584 0.088 0.000 1.181 150 A CA 2.162 54.273 52.037 0.122 0.000 0.623 150 A CB -0.617 18.495 19.000 0.187 0.000 0.818 150 A HN 0.734 nan 8.150 nan 0.000 0.443 151 I N -3.099 117.515 120.570 0.074 0.000 2.439 151 I HA 0.065 4.235 4.170 -0.000 0.000 0.251 151 I C 2.330 178.464 176.117 0.029 0.000 1.139 151 I CA 1.232 62.559 61.300 0.046 0.000 1.438 151 I CB -0.429 37.592 38.000 0.035 0.000 1.085 151 I HN 0.160 nan 8.210 nan 0.000 0.427 152 A N 1.931 124.767 122.820 0.026 0.000 1.908 152 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 152 A C 2.617 180.198 177.584 -0.006 0.000 1.181 152 A CA 1.949 53.991 52.037 0.008 0.000 0.627 152 A CB -0.799 18.204 19.000 0.006 0.000 0.818 152 A HN 0.567 nan 8.150 nan 0.000 0.445 153 R N -0.336 120.165 120.500 0.002 0.000 2.081 153 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 153 R C 2.269 178.576 176.300 0.012 0.000 1.131 153 R CA 1.510 57.609 56.100 -0.001 0.000 0.960 153 R CB -0.435 29.877 30.300 0.020 0.000 0.856 153 R HN 0.431 nan 8.270 nan 0.000 0.436 154 A N 0.963 123.799 122.820 0.027 0.000 1.902 154 A HA -0.099 4.220 4.320 -0.000 0.000 0.217 154 A C 2.001 179.589 177.584 0.007 0.000 1.181 154 A CA 1.172 53.224 52.037 0.024 0.000 0.623 154 A CB -0.359 18.655 19.000 0.023 0.000 0.818 154 A HN 0.374 nan 8.150 nan 0.000 0.443 155 L N -0.761 120.464 121.223 0.003 0.000 2.612 155 L HA 0.109 4.449 4.340 -0.000 0.000 0.230 155 L C 2.572 179.438 176.870 -0.007 0.000 1.140 155 L CA 0.303 55.142 54.840 -0.002 0.000 0.896 155 L CB -0.365 41.694 42.059 -0.001 0.000 1.065 155 L HN 0.424 nan 8.230 nan 0.000 0.447 156 A N -0.244 122.569 122.820 -0.011 0.000 1.908 156 A HA -0.152 4.167 4.320 -0.000 0.000 0.218 156 A C 2.222 179.798 177.584 -0.013 0.000 1.181 156 A CA 1.755 53.781 52.037 -0.019 0.000 0.627 156 A CB -0.273 18.709 19.000 -0.030 0.000 0.818 156 A HN 0.333 nan 8.150 nan 0.000 0.445 157 S N -0.302 115.394 115.700 -0.008 0.000 2.660 157 S HA 0.161 4.631 4.470 -0.000 0.000 0.227 157 S C 0.074 174.672 174.600 -0.004 0.000 0.948 157 S CA -0.091 58.106 58.200 -0.005 0.000 0.948 157 S CB -0.747 62.451 63.200 -0.003 0.000 0.779 157 S HN 0.700 nan 8.310 nan 0.000 0.487 158 N N 1.925 120.622 118.700 -0.005 0.000 2.671 158 N HA -0.105 4.635 4.740 -0.000 0.000 0.261 158 N C -2.846 172.661 175.510 -0.005 0.000 1.053 158 N CA 0.039 53.087 53.050 -0.004 0.000 0.732 158 N CB -0.531 37.955 38.487 -0.003 0.000 0.887 158 N HN 0.359 nan 8.380 nan 0.000 0.546 159 P HA -0.048 nan 4.420 nan 0.000 0.266 159 P C 0.101 177.394 177.300 -0.011 0.000 1.215 159 P CA 0.288 63.383 63.100 -0.009 0.000 0.763 159 P CB 1.007 32.702 31.700 -0.009 0.000 0.806 160 K N 1.589 121.981 120.400 -0.013 0.000 2.097 160 K HA 0.011 4.331 4.320 -0.000 0.000 0.206 160 K C 0.634 177.223 176.600 -0.019 0.000 1.049 160 K CA 0.996 57.273 56.287 -0.015 0.000 0.933 160 K CB 0.036 32.527 32.500 -0.016 0.000 0.717 160 K HN 0.331 nan 8.250 nan 0.000 0.442 161 V N 1.993 121.894 119.914 -0.023 0.000 2.448 161 V HA 0.321 4.441 4.120 -0.000 0.000 0.295 161 V C -0.728 175.348 176.094 -0.031 0.000 1.025 161 V CA -0.836 61.447 62.300 -0.029 0.000 0.859 161 V CB 1.699 33.501 31.823 -0.035 0.000 0.988 161 V HN 0.117 nan 8.190 nan 0.000 0.431 162 L N 6.004 127.206 121.223 -0.034 0.000 2.341 162 L HA 0.694 5.034 4.340 -0.000 0.000 0.278 162 L C -1.262 175.574 176.870 -0.057 0.000 1.005 162 L CA -0.433 54.381 54.840 -0.043 0.000 0.818 162 L CB 1.487 43.526 42.059 -0.033 0.000 1.259 162 L HN 0.553 nan 8.230 nan 0.000 0.418 163 L N 4.818 125.988 121.223 -0.088 0.000 2.313 163 L HA 0.485 4.825 4.340 -0.000 0.000 0.283 163 L C -0.994 175.790 176.870 -0.144 0.000 1.013 163 L CA -0.599 54.178 54.840 -0.105 0.000 0.816 163 L CB 1.851 43.834 42.059 -0.126 0.000 1.236 163 L HN 0.620 nan 8.230 nan 0.000 0.419 164 C N 1.589 120.819 119.300 -0.117 0.000 2.264 164 C HA 0.282 4.742 4.460 -0.000 0.000 0.324 164 C C 0.058 174.959 174.990 -0.148 0.000 1.267 164 C CA -0.654 58.281 59.018 -0.138 0.000 1.618 164 C CB 0.753 28.440 27.740 -0.087 0.000 2.278 164 C HN 0.619 nan 8.230 nan 0.000 0.499 165 D N 2.918 123.189 120.400 -0.215 0.000 2.396 165 D HA 0.097 4.737 4.640 -0.000 0.000 0.225 165 D C 0.404 176.623 176.300 -0.135 0.000 1.121 165 D CA 0.165 54.057 54.000 -0.179 0.000 0.853 165 D CB 0.357 40.999 40.800 -0.263 0.000 1.043 165 D HN 0.711 nan 8.370 nan 0.000 0.500 166 E N 2.178 122.324 120.200 -0.090 0.000 2.165 166 E HA -0.299 4.050 4.350 -0.000 0.000 0.203 166 E C 0.788 177.319 176.600 -0.113 0.000 1.335 166 E CA 0.335 56.688 56.400 -0.078 0.000 0.708 166 E CB -0.844 28.821 29.700 -0.058 0.000 1.105 166 E HN 0.586 nan 8.360 nan 0.000 0.346 167 A N 0.733 123.490 122.820 -0.105 0.000 1.877 167 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 167 A C 2.231 179.738 177.584 -0.129 0.000 1.186 167 A CA 2.024 53.988 52.037 -0.121 0.000 0.620 167 A CB -0.358 18.589 19.000 -0.087 0.000 0.822 167 A HN 0.524 nan 8.150 nan 0.000 0.443 168 T N -2.192 112.309 114.554 -0.088 0.000 3.163 168 T HA 0.136 4.486 4.350 -0.000 0.000 0.252 168 T C 1.500 176.151 174.700 -0.082 0.000 1.056 168 T CA 0.883 62.938 62.100 -0.074 0.000 0.947 168 T CB -0.272 68.575 68.868 -0.035 0.000 1.016 168 T HN 0.568 nan 8.240 nan 0.000 0.554 169 S N 1.674 117.314 115.700 -0.101 0.000 2.400 169 S HA 0.041 4.511 4.470 -0.000 0.000 0.232 169 S C 2.139 176.684 174.600 -0.092 0.000 1.025 169 S CA 0.655 58.797 58.200 -0.095 0.000 0.993 169 S CB -0.666 62.492 63.200 -0.070 0.000 0.808 169 S HN 0.698 nan 8.310 nan 0.000 0.478 170 A N 0.461 123.209 122.820 -0.120 0.000 2.275 170 A HA 0.565 4.885 4.320 -0.000 0.000 0.212 170 A C 0.590 178.184 177.584 0.016 0.000 1.201 170 A CA -0.267 51.732 52.037 -0.064 0.000 0.843 170 A CB -0.180 18.740 19.000 -0.134 0.000 0.873 170 A HN 0.513 nan 8.150 nan 0.000 0.492 171 L N 1.922 123.143 121.223 -0.002 0.000 2.322 171 L HA 0.284 4.623 4.340 -0.000 0.000 0.281 171 L C -0.409 176.474 176.870 0.022 0.000 1.014 171 L CA -1.051 53.822 54.840 0.055 0.000 0.815 171 L CB 1.474 43.566 42.059 0.055 0.000 1.247 171 L HN 0.386 nan 8.230 nan 0.000 0.421 172 D N 3.852 124.274 120.400 0.036 0.000 2.368 172 D HA 0.045 4.685 4.640 -0.000 0.000 0.240 172 D C -1.878 174.429 176.300 0.012 0.000 1.169 172 D CA -1.321 52.688 54.000 0.016 0.000 0.906 172 D CB 1.056 41.869 40.800 0.022 0.000 1.187 172 D HN 0.300 nan 8.370 nan 0.000 0.435 173 P HA -0.299 nan 4.420 nan 0.000 0.218 173 P C 1.348 178.654 177.300 0.009 0.000 1.152 173 P CA 2.200 65.300 63.100 0.001 0.000 0.857 173 P CB -0.011 31.686 31.700 -0.003 0.000 0.787 174 A N -0.138 122.689 122.820 0.012 0.000 1.865 174 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 174 A C 2.461 180.057 177.584 0.021 0.000 1.191 174 A CA 2.732 54.777 52.037 0.014 0.000 0.623 174 A CB -1.897 17.111 19.000 0.013 0.000 0.826 174 A HN 0.239 nan 8.150 nan 0.000 0.444 175 T N -0.235 114.338 114.554 0.031 0.000 2.746 175 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 175 T C 1.987 176.710 174.700 0.039 0.000 1.039 175 T CA 1.872 63.999 62.100 0.045 0.000 1.142 175 T CB -0.557 68.357 68.868 0.077 0.000 0.866 175 T HN 0.566 nan 8.240 nan 0.000 0.444 176 T N 1.940 116.511 114.554 0.028 0.000 2.746 176 T HA -0.078 4.272 4.350 -0.000 0.000 0.267 176 T C 2.151 176.860 174.700 0.016 0.000 1.039 176 T CA 1.003 63.112 62.100 0.016 0.000 1.142 176 T CB -0.154 68.716 68.868 0.003 0.000 0.866 176 T HN 0.384 nan 8.240 nan 0.000 0.444 177 R N 0.879 121.388 120.500 0.016 0.000 2.070 177 R HA -0.042 4.297 4.340 -0.000 0.000 0.233 177 R C 2.961 179.271 176.300 0.017 0.000 1.137 177 R CA 1.660 57.770 56.100 0.015 0.000 0.945 177 R CB -0.456 29.852 30.300 0.014 0.000 0.845 177 R HN 0.248 nan 8.270 nan 0.000 0.430 178 S N 0.783 116.495 115.700 0.019 0.000 2.368 178 S HA -0.058 4.411 4.470 -0.000 0.000 0.224 178 S C 2.006 176.619 174.600 0.023 0.000 1.029 178 S CA 1.020 59.232 58.200 0.020 0.000 0.988 178 S CB -0.133 63.079 63.200 0.021 0.000 0.838 178 S HN 0.208 nan 8.310 nan 0.000 0.462 179 I N 1.286 121.873 120.570 0.029 0.000 2.252 179 I HA -0.146 4.024 4.170 -0.000 0.000 0.245 179 I C 1.982 178.110 176.117 0.018 0.000 1.102 179 I CA 0.943 62.261 61.300 0.030 0.000 1.385 179 I CB -0.355 37.670 38.000 0.041 0.000 1.064 179 I HN 0.222 nan 8.210 nan 0.000 0.414 180 L N 0.357 121.588 121.223 0.014 0.000 2.046 180 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 180 L C 2.490 179.366 176.870 0.009 0.000 1.077 180 L CA 1.501 56.346 54.840 0.008 0.000 0.747 180 L CB -0.605 41.459 42.059 0.009 0.000 0.896 180 L HN 0.259 nan 8.230 nan 0.000 0.432 181 E N -0.031 120.176 120.200 0.012 0.000 2.077 181 E HA -0.267 4.083 4.350 -0.000 0.000 0.193 181 E C 2.108 178.713 176.600 0.009 0.000 0.989 181 E CA 1.129 57.535 56.400 0.010 0.000 0.800 181 E CB -0.189 29.517 29.700 0.009 0.000 0.746 181 E HN 0.260 nan 8.360 nan 0.000 0.452 182 L N 1.046 122.276 121.223 0.012 0.000 2.079 182 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 182 L C 1.939 178.814 176.870 0.009 0.000 1.081 182 L CA 1.454 56.301 54.840 0.012 0.000 0.752 182 L CB -0.315 41.755 42.059 0.018 0.000 0.896 182 L HN 0.099 nan 8.230 nan 0.000 0.433 183 L N -0.240 120.987 121.223 0.007 0.000 2.079 183 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 183 L C 2.517 179.387 176.870 0.001 0.000 1.081 183 L CA 1.681 56.522 54.840 0.002 0.000 0.752 183 L CB -1.552 40.505 42.059 -0.003 0.000 0.896 183 L HN 0.375 nan 8.230 nan 0.000 0.433 184 K N -0.333 120.067 120.400 0.002 0.000 2.057 184 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 184 K C 1.721 178.321 176.600 0.001 0.000 1.049 184 K CA 1.339 57.627 56.287 0.001 0.000 0.931 184 K CB -0.137 32.364 32.500 0.001 0.000 0.714 184 K HN 0.316 nan 8.250 nan 0.000 0.440 185 D N 1.128 121.529 120.400 0.002 0.000 2.117 185 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 185 D C 1.932 178.233 176.300 0.003 0.000 0.987 185 D CA 1.273 55.274 54.000 0.003 0.000 0.829 185 D CB -0.205 40.598 40.800 0.005 0.000 0.961 185 D HN 0.387 nan 8.370 nan 0.000 0.460 186 I N -0.658 119.914 120.570 0.003 0.000 2.394 186 I HA -0.169 4.000 4.170 -0.000 0.000 0.251 186 I C 2.099 178.216 176.117 -0.000 0.000 1.136 186 I CA 1.154 62.456 61.300 0.002 0.000 1.425 186 I CB -0.370 37.631 38.000 0.002 0.000 1.079 186 I HN -0.196 nan 8.210 nan 0.000 0.425 187 N N 2.089 120.788 118.700 -0.001 0.000 2.084 187 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 187 N C 2.051 177.560 175.510 -0.001 0.000 1.030 187 N CA 1.855 54.904 53.050 -0.002 0.000 0.849 187 N CB -0.244 38.242 38.487 -0.001 0.000 1.012 187 N HN 0.343 nan 8.380 nan 0.000 0.423 188 R N -0.486 120.014 120.500 -0.001 0.000 2.081 188 R HA 0.018 4.357 4.340 -0.000 0.000 0.235 188 R C 0.530 176.830 176.300 -0.000 0.000 1.131 188 R CA 0.984 57.084 56.100 -0.001 0.000 0.960 188 R CB -0.067 30.232 30.300 -0.001 0.000 0.856 188 R HN 0.225 nan 8.270 nan 0.000 0.436 189 R N 0.589 121.090 120.500 0.000 0.000 2.598 189 R HA 0.416 4.756 4.340 -0.000 0.000 0.279 189 R C -0.372 175.928 176.300 0.000 0.000 0.984 189 R CA -0.640 55.461 56.100 0.001 0.000 0.999 189 R CB 1.112 31.413 30.300 0.002 0.000 1.114 189 R HN -0.029 nan 8.270 nan 0.000 0.493 190 L N -0.237 120.986 121.223 0.000 0.000 0.588 190 L HA -0.193 4.147 4.340 -0.000 0.000 0.356 190 L C 0.425 177.294 176.870 -0.002 0.000 1.005 190 L CA 0.563 55.403 54.840 -0.001 0.000 1.223 190 L CB -0.593 41.466 42.059 -0.001 0.000 0.021 190 L HN 1.057 nan 8.230 nan 0.000 0.093 191 G N 3.609 112.407 108.800 -0.004 0.000 3.209 191 G HA2 0.493 4.453 3.960 -0.000 0.000 0.274 191 G HA3 0.493 4.453 3.960 -0.000 0.000 0.274 191 G C -0.113 174.783 174.900 -0.008 0.000 0.850 191 G CA -0.348 44.749 45.100 -0.005 0.000 1.907 191 G HN 0.351 nan 8.290 nan 0.000 0.591 192 L N 1.541 122.760 121.223 -0.007 0.000 2.282 192 L HA 0.436 4.775 4.340 -0.000 0.000 0.288 192 L C 0.049 176.913 176.870 -0.009 0.000 1.033 192 L CA -0.388 54.447 54.840 -0.008 0.000 0.807 192 L CB 1.900 43.954 42.059 -0.007 0.000 1.209 192 L HN 0.136 nan 8.230 nan 0.000 0.423 193 T N 4.674 119.221 114.554 -0.012 0.000 2.807 193 T HA 0.646 4.995 4.350 -0.000 0.000 0.279 193 T C -0.336 174.357 174.700 -0.012 0.000 0.993 193 T CA -0.370 61.723 62.100 -0.012 0.000 0.970 193 T CB 1.537 70.391 68.868 -0.023 0.000 0.950 193 T HN 0.488 nan 8.240 nan 0.000 0.441 194 I N 0.773 121.342 120.570 -0.001 0.000 2.785 194 I HA 0.866 5.036 4.170 -0.000 0.000 0.302 194 I C -1.677 174.450 176.117 0.017 0.000 1.069 194 I CA -1.542 59.754 61.300 -0.005 0.000 1.045 194 I CB 1.950 39.944 38.000 -0.009 0.000 1.236 194 I HN 0.425 nan 8.210 nan 0.000 0.429 195 L N 5.615 126.839 121.223 0.003 0.000 2.349 195 L HA 0.674 5.014 4.340 -0.000 0.000 0.278 195 L C -1.517 175.359 176.870 0.010 0.000 0.996 195 L CA -0.514 54.344 54.840 0.030 0.000 0.825 195 L CB 1.562 43.614 42.059 -0.011 0.000 1.243 195 L HN 0.746 nan 8.230 nan 0.000 0.412 196 L N 5.901 127.149 121.223 0.042 0.000 2.334 196 L HA 0.699 5.039 4.340 -0.000 0.000 0.273 196 L C -1.122 175.756 176.870 0.014 0.000 1.013 196 L CA -0.194 54.650 54.840 0.007 0.000 0.816 196 L CB 1.720 43.777 42.059 -0.003 0.000 1.278 196 L HN 0.588 nan 8.230 nan 0.000 0.431 197 I N 3.385 123.946 120.570 -0.014 0.000 2.433 197 I HA 0.511 4.681 4.170 -0.000 0.000 0.292 197 I C -0.352 175.760 176.117 -0.009 0.000 1.001 197 I CA -0.335 60.960 61.300 -0.009 0.000 1.119 197 I CB 2.016 40.000 38.000 -0.026 0.000 1.289 197 I HN 0.604 nan 8.210 nan 0.000 0.438 198 T N 2.873 117.429 114.554 0.003 0.000 2.916 198 T HA 0.229 4.579 4.350 -0.000 0.000 0.305 198 T C 0.633 175.372 174.700 0.064 0.000 1.119 198 T CA -0.366 61.750 62.100 0.026 0.000 1.008 198 T CB 1.209 70.090 68.868 0.022 0.000 1.129 198 T HN 0.665 nan 8.240 nan 0.000 0.480 199 H N 2.748 121.803 119.070 -0.025 0.000 2.353 199 H HA 0.195 4.750 4.556 -0.000 0.000 0.300 199 H C 0.282 175.605 175.328 -0.008 0.000 1.090 199 H CA 1.549 57.587 56.048 -0.016 0.000 1.327 199 H CB 0.563 30.314 29.762 -0.018 0.000 1.383 199 H HN 0.664 nan 8.280 nan 0.000 0.508 200 E N -1.118 119.224 120.200 0.236 0.000 2.393 200 E HA 0.162 4.512 4.350 -0.000 0.000 0.273 200 E C 0.963 177.603 176.600 0.067 0.000 0.918 200 E CA -0.882 55.609 56.400 0.152 0.000 0.773 200 E CB 1.939 31.693 29.700 0.091 0.000 1.275 200 E HN -0.046 nan 8.360 nan 0.000 0.451 201 M N 0.860 120.493 119.600 0.054 0.000 2.213 201 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 201 M C 0.866 177.187 176.300 0.035 0.000 1.062 201 M CA 1.518 56.837 55.300 0.031 0.000 1.105 201 M CB -0.680 31.937 32.600 0.028 0.000 1.385 201 M HN 0.546 nan 8.290 nan 0.000 0.417 202 D N 0.181 120.613 120.400 0.052 0.000 2.123 202 D HA -0.112 4.528 4.640 -0.000 0.000 0.196 202 D C 2.200 178.521 176.300 0.034 0.000 0.992 202 D CA 1.120 55.157 54.000 0.061 0.000 0.833 202 D CB -0.148 40.682 40.800 0.051 0.000 0.954 202 D HN 0.190 nan 8.370 nan 0.000 0.455 203 V N 0.932 120.856 119.914 0.017 0.000 2.343 203 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 203 V C 2.687 178.777 176.094 -0.008 0.000 1.051 203 V CA 1.054 63.355 62.300 0.002 0.000 1.036 203 V CB -0.439 31.382 31.823 -0.004 0.000 0.654 203 V HN 0.055 nan 8.190 nan 0.000 0.451 204 V N -0.396 119.509 119.914 -0.016 0.000 2.358 204 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 204 V C 2.411 178.479 176.094 -0.045 0.000 1.047 204 V CA 1.867 64.137 62.300 -0.049 0.000 1.035 204 V CB -0.660 31.119 31.823 -0.073 0.000 0.658 204 V HN 0.534 nan 8.190 nan 0.000 0.452 205 K N -0.036 120.358 120.400 -0.011 0.000 2.026 205 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 205 K C 2.399 179.025 176.600 0.044 0.000 1.048 205 K CA 1.444 57.741 56.287 0.017 0.000 0.929 205 K CB -0.257 32.290 32.500 0.079 0.000 0.713 205 K HN 0.370 nan 8.250 nan 0.000 0.439 206 R N 0.658 121.188 120.500 0.051 0.000 2.075 206 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 206 R C 2.308 178.627 176.300 0.032 0.000 1.126 206 R CA 1.633 57.766 56.100 0.056 0.000 0.963 206 R CB -0.177 30.154 30.300 0.051 0.000 0.858 206 R HN 0.394 nan 8.270 nan 0.000 0.435 207 I N -3.824 116.752 120.570 0.009 0.000 4.227 207 I HA 0.253 4.423 4.170 -0.000 0.000 0.334 207 I C -0.065 176.040 176.117 -0.020 0.000 1.341 207 I CA -0.529 60.770 61.300 -0.001 0.000 1.123 207 I CB 0.601 38.600 38.000 -0.002 0.000 1.097 207 I HN -0.149 nan 8.210 nan 0.000 0.399 208 C N 3.138 122.412 119.300 -0.043 0.000 2.499 208 C HA 0.207 4.667 4.460 -0.000 0.000 0.386 208 C C 1.479 176.417 174.990 -0.088 0.000 1.293 208 C CA -0.199 58.770 59.018 -0.081 0.000 1.884 208 C CB 0.440 28.096 27.740 -0.139 0.000 2.509 208 C HN 0.453 nan 8.230 nan 0.000 0.566 209 D N 0.606 120.961 120.400 -0.075 0.000 2.123 209 D HA -0.016 4.623 4.640 -0.000 0.000 0.200 209 D C 0.487 176.721 176.300 -0.110 0.000 0.976 209 D CA 1.202 55.165 54.000 -0.061 0.000 0.831 209 D CB 0.160 40.947 40.800 -0.022 0.000 0.974 209 D HN 0.607 nan 8.370 nan 0.000 0.469 210 C N -0.312 118.862 119.300 -0.209 0.000 2.802 210 C HA 0.721 5.181 4.460 -0.000 0.000 0.307 210 C C -0.303 174.219 174.990 -0.780 0.000 1.222 210 C CA -0.992 57.800 59.018 -0.376 0.000 1.580 210 C CB 2.462 30.074 27.740 -0.213 0.000 2.119 210 C HN 0.020 nan 8.230 nan 0.000 0.479 211 V N 1.730 121.210 119.914 -0.723 0.000 2.841 211 V HA 0.907 5.027 4.120 -0.000 0.000 0.310 211 V C -0.569 175.272 176.094 -0.422 0.000 1.090 211 V CA -0.010 61.902 62.300 -0.647 0.000 0.930 211 V CB 1.840 33.454 31.823 -0.348 0.000 1.014 211 V HN 1.256 nan 8.190 nan 0.000 0.425 212 A N 5.391 128.095 122.820 -0.194 0.000 2.365 212 A HA 0.884 5.203 4.320 -0.000 0.000 0.318 212 A C -1.229 176.368 177.584 0.021 0.000 1.091 212 A CA -0.573 51.524 52.037 0.100 0.000 0.763 212 A CB 1.974 21.223 19.000 0.414 0.000 1.248 212 A HN 1.097 nan 8.150 nan 0.000 0.442 213 V N 3.450 123.363 119.914 -0.002 0.000 2.409 213 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 213 V C -0.521 175.567 176.094 -0.010 0.000 1.020 213 V CA -0.096 62.194 62.300 -0.016 0.000 0.848 213 V CB 1.092 32.894 31.823 -0.035 0.000 0.990 213 V HN 0.722 nan 8.190 nan 0.000 0.430 214 I N 3.726 124.294 120.570 -0.004 0.000 2.418 214 I HA 0.501 4.671 4.170 -0.000 0.000 0.287 214 I C -0.107 176.002 176.117 -0.013 0.000 1.008 214 I CA -0.113 61.182 61.300 -0.007 0.000 1.104 214 I CB 1.986 39.986 38.000 0.000 0.000 1.264 214 I HN 0.584 nan 8.210 nan 0.000 0.438 215 S N 5.675 121.365 115.700 -0.015 0.000 2.561 215 S HA 0.384 4.854 4.470 -0.000 0.000 0.303 215 S C 0.064 174.656 174.600 -0.012 0.000 1.110 215 S CA -0.486 57.705 58.200 -0.015 0.000 1.034 215 S CB 0.513 63.705 63.200 -0.014 0.000 1.010 215 S HN 0.728 nan 8.310 nan 0.000 0.482 216 N N 2.959 121.653 118.700 -0.010 0.000 2.740 216 N HA -0.190 4.550 4.740 -0.000 0.000 0.248 216 N C 0.762 176.268 175.510 -0.006 0.000 1.062 216 N CA 1.371 54.417 53.050 -0.007 0.000 0.704 216 N CB -1.588 36.896 38.487 -0.006 0.000 0.968 216 N HN 1.460 nan 8.380 nan 0.000 0.547 217 G N -1.104 107.692 108.800 -0.006 0.000 2.143 217 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.249 217 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.249 217 G C -0.159 174.736 174.900 -0.010 0.000 0.981 217 G CA 0.853 45.949 45.100 -0.006 0.000 0.665 217 G HN 0.593 nan 8.290 nan 0.000 0.528 218 E N -1.097 119.095 120.200 -0.014 0.000 2.392 218 E HA 0.658 5.008 4.350 -0.000 0.000 0.269 218 E C -0.333 176.253 176.600 -0.025 0.000 0.924 218 E CA -1.065 55.323 56.400 -0.020 0.000 0.784 218 E CB 1.669 31.355 29.700 -0.023 0.000 1.292 218 E HN 0.140 nan 8.360 nan 0.000 0.447 219 L N 3.151 124.355 121.223 -0.032 0.000 2.255 219 L HA 0.224 4.564 4.340 -0.000 0.000 0.289 219 L C 1.121 177.947 176.870 -0.074 0.000 1.046 219 L CA -0.515 54.304 54.840 -0.035 0.000 0.816 219 L CB 0.537 42.583 42.059 -0.023 0.000 1.197 219 L HN 0.582 nan 8.230 nan 0.000 0.427 220 I N 1.311 121.833 120.570 -0.081 0.000 2.163 220 I HA -0.107 4.063 4.170 -0.000 0.000 0.243 220 I C 0.842 176.818 176.117 -0.234 0.000 1.085 220 I CA 1.525 62.739 61.300 -0.143 0.000 1.347 220 I CB -0.408 37.542 38.000 -0.083 0.000 1.044 220 I HN 0.688 nan 8.210 nan 0.000 0.408 221 E N -0.526 119.595 120.200 -0.132 0.000 2.390 221 E HA 0.365 4.714 4.350 -0.000 0.000 0.277 221 E C -0.783 175.798 176.600 -0.032 0.000 0.939 221 E CA -0.525 55.814 56.400 -0.102 0.000 0.769 221 E CB 2.407 32.064 29.700 -0.072 0.000 1.251 221 E HN 0.060 nan 8.360 nan 0.000 0.450 222 Q N 2.656 122.455 119.800 -0.001 0.000 2.394 222 Q HA 0.294 4.634 4.340 -0.000 0.000 0.261 222 Q C -1.931 174.100 176.000 0.052 0.000 1.023 222 Q CA -0.326 55.521 55.803 0.073 0.000 0.720 222 Q CB 1.002 29.797 28.738 0.095 0.000 1.241 222 Q HN 0.450 nan 8.270 nan 0.000 0.483 223 D N 1.287 121.692 120.400 0.009 0.000 2.623 223 D HA 0.284 4.924 4.640 -0.000 0.000 0.241 223 D C -0.929 175.326 176.300 -0.075 0.000 1.241 223 D CA -0.229 53.761 54.000 -0.016 0.000 0.788 223 D CB 2.441 43.217 40.800 -0.041 0.000 1.413 223 D HN 0.370 nan 8.370 nan 0.000 0.429 224 T N 0.869 115.390 114.554 -0.056 0.000 2.932 224 T HA 0.115 4.464 4.350 -0.000 0.000 0.312 224 T C 1.730 176.333 174.700 -0.161 0.000 1.071 224 T CA -0.349 61.696 62.100 -0.091 0.000 1.128 224 T CB 1.044 69.892 68.868 -0.033 0.000 0.984 224 T HN 0.219 nan 8.240 nan 0.000 0.549 225 V N 2.774 122.571 119.914 -0.195 0.000 2.343 225 V HA -0.155 3.964 4.120 -0.000 0.000 0.247 225 V C 2.547 178.461 176.094 -0.301 0.000 1.051 225 V CA 1.948 64.089 62.300 -0.265 0.000 1.036 225 V CB -0.618 31.078 31.823 -0.212 0.000 0.654 225 V HN 0.931 nan 8.190 nan 0.000 0.451 226 S N -0.590 115.032 115.700 -0.131 0.000 2.423 226 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 226 S C 1.665 176.263 174.600 -0.003 0.000 1.014 226 S CA 0.972 59.169 58.200 -0.005 0.000 0.965 226 S CB -0.213 63.059 63.200 0.120 0.000 0.785 226 S HN 0.711 nan 8.310 nan 0.000 0.495 227 E N 0.611 120.760 120.200 -0.084 0.000 2.489 227 E HA 0.091 4.440 4.350 -0.000 0.000 0.193 227 E C -0.613 175.892 176.600 -0.158 0.000 1.057 227 E CA 0.043 56.411 56.400 -0.054 0.000 0.866 227 E CB 0.457 30.147 29.700 -0.017 0.000 0.916 227 E HN 0.177 nan 8.360 nan 0.000 0.500 228 V N 1.005 120.664 119.914 -0.424 0.000 2.384 228 V HA 0.270 4.389 4.120 -0.000 0.000 0.287 228 V C -0.440 175.090 176.094 -0.941 0.000 1.020 228 V CA -0.244 61.776 62.300 -0.466 0.000 0.850 228 V CB 0.506 32.092 31.823 -0.394 0.000 0.987 228 V HN 0.186 nan 8.190 nan 0.000 0.436 229 F N 1.377 121.309 119.950 -0.030 0.000 2.763 229 F HA 0.091 4.618 4.527 -0.000 0.000 0.334 229 F C 1.376 177.161 175.800 -0.025 0.000 1.279 229 F CA -0.191 57.783 58.000 -0.044 0.000 0.997 229 F CB 0.522 39.488 39.000 -0.057 0.000 1.397 229 F HN 0.458 nan 8.300 nan 0.000 0.502 230 S N -1.466 114.295 115.700 0.102 0.000 2.297 230 S HA 0.081 4.551 4.470 -0.000 0.000 0.200 230 S C 0.378 174.964 174.600 -0.023 0.000 1.011 230 S CA 0.390 58.614 58.200 0.040 0.000 0.938 230 S CB -0.215 63.019 63.200 0.057 0.000 0.924 230 S HN 0.236 nan 8.310 nan 0.000 0.504 231 H N 2.152 121.226 119.070 0.006 0.000 2.757 231 H HA 0.212 4.768 4.556 -0.000 0.000 0.370 231 H C -1.933 173.397 175.328 0.002 0.000 1.172 231 H CA -1.254 54.795 56.048 0.002 0.000 1.426 231 H CB -0.256 29.503 29.762 -0.005 0.000 1.438 231 H HN 0.110 nan 8.280 nan 0.000 0.612 232 P HA -0.178 nan 4.420 nan 0.000 0.243 232 P C 0.261 177.591 177.300 0.050 0.000 1.190 232 P CA 1.317 64.451 63.100 0.057 0.000 0.757 232 P CB -0.137 31.593 31.700 0.051 0.000 0.870 233 K N -2.938 117.499 120.400 0.062 0.000 2.404 233 K HA 0.119 4.439 4.320 -0.000 0.000 0.194 233 K C 1.295 177.910 176.600 0.025 0.000 1.023 233 K CA 0.314 56.621 56.287 0.033 0.000 1.094 233 K CB -0.633 31.881 32.500 0.024 0.000 0.841 233 K HN -0.114 nan 8.250 nan 0.000 0.523 234 T N 2.649 117.224 114.554 0.035 0.000 2.665 234 T HA -0.106 4.244 4.350 -0.000 0.000 0.268 234 T C -1.025 173.685 174.700 0.016 0.000 1.035 234 T CA 1.583 63.705 62.100 0.036 0.000 1.151 234 T CB -1.010 67.880 68.868 0.038 0.000 0.862 234 T HN 0.205 nan 8.240 nan 0.000 0.438 235 P HA -0.196 nan 4.420 nan 0.000 0.232 235 P C 1.285 178.592 177.300 0.011 0.000 1.135 235 P CA 1.284 64.385 63.100 0.001 0.000 0.969 235 P CB -0.233 31.472 31.700 0.008 0.000 0.777 236 L N -1.523 119.713 121.223 0.021 0.000 2.083 236 L HA -0.112 4.227 4.340 -0.000 0.000 0.209 236 L C 2.447 179.343 176.870 0.043 0.000 1.083 236 L CA 2.107 56.969 54.840 0.037 0.000 0.752 236 L CB -1.855 40.225 42.059 0.034 0.000 0.899 236 L HN -0.081 nan 8.230 nan 0.000 0.433 237 A N -1.157 121.681 122.820 0.029 0.000 2.186 237 A HA -0.207 4.112 4.320 -0.000 0.000 0.219 237 A C 2.177 179.770 177.584 0.015 0.000 1.159 237 A CA 1.014 53.071 52.037 0.033 0.000 0.680 237 A CB -0.393 18.649 19.000 0.069 0.000 0.787 237 A HN 0.439 nan 8.150 nan 0.000 0.467 238 Q N 0.225 120.025 119.800 -0.000 0.000 2.084 238 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 238 Q C 1.087 177.220 176.000 0.221 0.000 0.978 238 Q CA 1.117 56.892 55.803 -0.047 0.000 0.844 238 Q CB -0.381 28.299 28.738 -0.098 0.000 0.898 238 Q HN 0.762 nan 8.270 nan 0.000 0.426 239 K N -0.125 120.400 120.400 0.209 0.000 2.448 239 K HA 0.130 4.449 4.320 -0.000 0.000 0.278 239 K C -0.808 175.990 176.600 0.330 0.000 1.009 239 K CA 0.148 56.584 56.287 0.247 0.000 0.995 239 K CB 0.275 32.871 32.500 0.161 0.000 0.917 239 K HN -0.138 nan 8.250 nan 0.000 0.481 240 F N 2.644 122.652 119.950 0.098 0.000 3.031 240 F HA 0.072 4.598 4.527 -0.000 0.000 0.326 240 F C 0.171 175.995 175.800 0.041 0.000 1.143 240 F CA -0.900 57.140 58.000 0.066 0.000 0.871 240 F CB 0.244 39.290 39.000 0.077 0.000 1.377 240 F HN 0.394 nan 8.300 nan 0.000 0.462 241 I N 0.387 120.603 120.570 -0.589 0.000 2.286 241 I HA -0.165 4.004 4.170 -0.000 0.000 0.248 241 I C 2.116 178.132 176.117 -0.169 0.000 1.115 241 I CA 2.076 63.132 61.300 -0.406 0.000 1.392 241 I CB -1.111 36.548 38.000 -0.568 0.000 1.065 241 I HN 0.758 nan 8.210 nan 0.000 0.418 242 Q N 1.681 121.463 119.800 -0.031 0.000 2.135 242 Q HA -0.250 4.089 4.340 -0.000 0.000 0.204 242 Q C 2.297 178.361 176.000 0.106 0.000 0.981 242 Q CA 2.366 58.273 55.803 0.174 0.000 0.856 242 Q CB -0.230 28.778 28.738 0.451 0.000 0.902 242 Q HN 0.741 nan 8.270 nan 0.000 0.425 243 S N -0.390 115.400 115.700 0.150 0.000 2.547 243 S HA -0.157 4.313 4.470 -0.000 0.000 0.255 243 S C 1.485 175.855 174.600 -0.384 0.000 0.977 243 S CA 1.514 59.659 58.200 -0.092 0.000 0.960 243 S CB -0.776 62.521 63.200 0.161 0.000 0.746 243 S HN 0.585 nan 8.310 nan 0.000 0.532 244 T N -1.990 112.447 114.554 -0.194 0.000 3.107 244 T HA 0.373 4.722 4.350 -0.000 0.000 0.249 244 T C 1.234 175.840 174.700 -0.157 0.000 1.096 244 T CA -0.073 61.924 62.100 -0.171 0.000 1.012 244 T CB -0.128 68.683 68.868 -0.095 0.000 0.977 244 T HN 0.277 nan 8.240 nan 0.000 0.527 245 L N 1.540 122.672 121.223 -0.153 0.000 2.145 245 L HA 0.177 4.517 4.340 -0.000 0.000 0.201 245 L C 2.548 179.393 176.870 -0.040 0.000 1.075 245 L CA 1.517 56.324 54.840 -0.056 0.000 0.773 245 L CB -0.792 41.289 42.059 0.036 0.000 0.936 245 L HN 0.489 nan 8.230 nan 0.000 0.451 246 H N -2.155 116.941 119.070 0.042 0.000 2.395 246 H HA -0.048 4.508 4.556 -0.000 0.000 0.299 246 H C 1.910 177.255 175.328 0.027 0.000 1.070 246 H CA 1.143 57.211 56.048 0.034 0.000 1.356 246 H CB -0.733 29.050 29.762 0.035 0.000 1.401 246 H HN 0.064 nan 8.280 nan 0.000 0.524 247 L N 0.346 121.518 121.223 -0.084 0.000 2.017 247 L HA -0.028 4.311 4.340 -0.000 0.000 0.208 247 L C 0.002 176.878 176.870 0.010 0.000 1.073 247 L CA 1.626 56.486 54.840 0.033 0.000 0.745 247 L CB -0.104 41.939 42.059 -0.027 0.000 0.894 247 L HN 0.409 nan 8.230 nan 0.000 0.432 248 D N -1.779 118.599 120.400 -0.036 0.000 2.365 248 D HA 0.192 4.831 4.640 -0.000 0.000 0.235 248 D C 1.008 177.282 176.300 -0.043 0.000 1.368 248 D CA -0.137 53.847 54.000 -0.027 0.000 1.001 248 D CB 1.450 42.229 40.800 -0.036 0.000 1.364 248 D HN 0.028 nan 8.370 nan 0.000 0.577 249 I N 1.222 121.781 120.570 -0.018 0.000 2.163 249 I HA -0.040 4.129 4.170 -0.000 0.000 0.243 249 I C -1.815 174.254 176.117 -0.079 0.000 1.085 249 I CA 1.569 62.858 61.300 -0.019 0.000 1.347 249 I CB -0.225 37.797 38.000 0.036 0.000 1.044 249 I HN 0.232 nan 8.210 nan 0.000 0.408 250 P HA 0.307 nan 4.420 nan 0.000 0.317 250 P C -0.537 176.656 177.300 -0.177 0.000 1.073 250 P CA -0.297 62.647 63.100 -0.259 0.000 0.980 250 P CB 1.453 32.774 31.700 -0.632 0.000 1.356 251 E N -0.696 119.391 120.200 -0.189 0.000 2.340 251 E HA 0.022 4.371 4.350 -0.000 0.000 0.198 251 E C 0.205 176.784 176.600 -0.034 0.000 0.961 251 E CA 0.741 57.088 56.400 -0.088 0.000 0.905 251 E CB 0.188 29.848 29.700 -0.067 0.000 0.884 251 E HN 0.499 nan 8.360 nan 0.000 0.491 252 D N -0.905 119.482 120.400 -0.022 0.000 2.513 252 D HA -0.047 4.593 4.640 -0.000 0.000 0.222 252 D C 0.796 177.235 176.300 0.232 0.000 1.210 252 D CA -0.241 53.810 54.000 0.086 0.000 0.825 252 D CB -0.630 40.228 40.800 0.097 0.000 1.037 252 D HN 0.263 nan 8.370 nan 0.000 0.506 253 Y N 0.859 121.171 120.300 0.021 0.000 2.544 253 Y HA 0.045 4.595 4.550 -0.000 0.000 0.286 253 Y C 2.133 178.047 175.900 0.023 0.000 1.141 253 Y CA 0.044 58.159 58.100 0.025 0.000 1.299 253 Y CB 0.349 38.825 38.460 0.027 0.000 1.030 253 Y HN 0.012 nan 8.280 nan 0.000 0.543 254 Q N 0.955 120.858 119.800 0.172 0.000 2.084 254 Q HA -0.227 4.112 4.340 -0.000 0.000 0.202 254 Q C 2.025 178.074 176.000 0.082 0.000 0.978 254 Q CA 1.973 57.840 55.803 0.107 0.000 0.844 254 Q CB -0.152 28.629 28.738 0.072 0.000 0.898 254 Q HN 0.685 nan 8.270 nan 0.000 0.426 255 E N 0.712 120.958 120.200 0.077 0.000 2.150 255 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 255 E C 0.552 177.174 176.600 0.037 0.000 0.985 255 E CA 0.521 56.950 56.400 0.049 0.000 0.814 255 E CB -0.090 29.635 29.700 0.042 0.000 0.752 255 E HN 0.130 nan 8.360 nan 0.000 0.466 256 R N 0.842 121.371 120.500 0.049 0.000 3.657 256 R HA 0.293 4.633 4.340 -0.000 0.000 0.220 256 R C -0.678 175.626 176.300 0.007 0.000 1.548 256 R CA -0.141 55.962 56.100 0.006 0.000 1.465 256 R CB 0.168 30.457 30.300 -0.018 0.000 1.330 256 R HN 0.121 nan 8.270 nan 0.000 0.707 257 L N 0.501 121.745 121.223 0.036 0.000 2.376 257 L HA 0.082 4.421 4.340 -0.000 0.000 0.274 257 L C -1.010 175.914 176.870 0.091 0.000 1.418 257 L CA -0.243 54.634 54.840 0.060 0.000 0.658 257 L CB 0.664 42.750 42.059 0.046 0.000 0.914 257 L HN 0.213 nan 8.230 nan 0.000 0.522 258 Q N 0.770 120.641 119.800 0.119 0.000 2.361 258 Q HA 0.276 4.616 4.340 -0.000 0.000 0.276 258 Q C 1.403 177.516 176.000 0.189 0.000 1.022 258 Q CA 0.750 56.625 55.803 0.121 0.000 0.898 258 Q CB 1.495 30.288 28.738 0.092 0.000 1.246 258 Q HN 0.622 nan 8.270 nan 0.000 0.410 259 A N 4.035 126.935 122.820 0.133 0.000 1.908 259 A HA -0.161 4.158 4.320 -0.000 0.000 0.218 259 A C 0.612 178.321 177.584 0.209 0.000 1.181 259 A CA 1.202 53.328 52.037 0.148 0.000 0.627 259 A CB -0.045 19.006 19.000 0.085 0.000 0.818 259 A HN 0.746 nan 8.150 nan 0.000 0.445 260 E N 0.513 120.797 120.200 0.141 0.000 2.366 260 E HA 0.299 4.649 4.350 -0.000 0.000 0.266 260 E C -2.313 174.299 176.600 0.021 0.000 1.051 260 E CA -1.972 54.472 56.400 0.074 0.000 0.884 260 E CB 0.623 30.347 29.700 0.040 0.000 1.006 260 E HN 0.371 nan 8.360 nan 0.000 0.417 261 P HA 0.273 nan 4.420 nan 0.000 0.279 261 P C -1.017 176.192 177.300 -0.151 0.000 1.276 261 P CA -0.352 62.354 63.100 -0.656 0.000 0.801 261 P CB 0.604 31.681 31.700 -1.038 0.000 1.127 262 F N -4.077 115.706 119.950 -0.278 0.000 2.686 262 F HA 0.486 5.013 4.527 -0.000 0.000 0.311 262 F C -0.722 175.010 175.800 -0.114 0.000 1.128 262 F CA -1.025 56.887 58.000 -0.146 0.000 0.946 262 F CB 0.207 39.152 39.000 -0.092 0.000 1.336 262 F HN 0.033 nan 8.300 nan 0.000 0.457 263 T N 1.960 116.524 114.554 0.017 0.000 2.940 263 T HA 0.138 4.488 4.350 -0.000 0.000 0.309 263 T C -0.640 174.034 174.700 -0.044 0.000 1.056 263 T CA 1.048 63.120 62.100 -0.047 0.000 1.137 263 T CB -0.180 68.707 68.868 0.031 0.000 0.976 263 T HN 0.747 nan 8.240 nan 0.000 0.547 264 D N 0.180 120.506 120.400 -0.123 0.000 2.718 264 D HA -0.140 4.499 4.640 -0.000 0.000 0.242 264 D C 0.345 176.531 176.300 -0.189 0.000 1.123 264 D CA 0.544 54.504 54.000 -0.067 0.000 0.690 264 D CB -1.617 39.227 40.800 0.074 0.000 1.059 264 D HN 0.762 nan 8.370 nan 0.000 0.429 265 C N -2.256 116.703 119.300 -0.569 0.000 2.486 265 C HA 0.842 5.302 4.460 -0.000 0.000 0.348 265 C C 0.321 175.143 174.990 -0.280 0.000 1.203 265 C CA -0.702 57.824 59.018 -0.821 0.000 1.911 265 C CB 2.140 28.850 27.740 -1.716 0.000 2.340 265 C HN 0.117 nan 8.230 nan 0.000 0.511 266 V N 3.326 123.160 119.914 -0.132 0.000 2.350 266 V HA 0.444 4.564 4.120 -0.000 0.000 0.285 266 V C -2.075 173.975 176.094 -0.075 0.000 1.014 266 V CA -1.122 61.099 62.300 -0.131 0.000 0.831 266 V CB 1.327 33.056 31.823 -0.157 0.000 1.000 266 V HN 0.873 nan 8.190 nan 0.000 0.433 267 P HA 0.207 nan 4.420 nan 0.000 0.276 267 P C -0.633 176.540 177.300 -0.212 0.000 1.243 267 P CA -0.217 62.803 63.100 -0.133 0.000 0.768 267 P CB 1.156 32.820 31.700 -0.060 0.000 0.856 268 M N 4.735 124.171 119.600 -0.272 0.000 2.300 268 M HA 0.433 4.912 4.480 -0.000 0.000 0.348 268 M C -1.253 174.950 176.300 -0.162 0.000 1.151 268 M CA -0.841 54.355 55.300 -0.174 0.000 1.046 268 M CB 0.909 33.438 32.600 -0.118 0.000 1.647 268 M HN 0.258 nan 8.290 nan 0.000 0.451 269 L N 3.555 124.725 121.223 -0.088 0.000 2.354 269 L HA 0.632 4.971 4.340 -0.000 0.000 0.264 269 L C -0.580 176.267 176.870 -0.038 0.000 1.008 269 L CA -0.905 53.890 54.840 -0.076 0.000 0.819 269 L CB 2.231 44.252 42.059 -0.064 0.000 1.339 269 L HN 0.691 nan 8.230 nan 0.000 0.420 270 R N 2.837 123.307 120.500 -0.049 0.000 2.320 270 R HA 0.566 4.906 4.340 -0.000 0.000 0.319 270 R C -1.634 174.623 176.300 -0.072 0.000 0.969 270 R CA -0.513 55.570 56.100 -0.028 0.000 0.857 270 R CB 0.753 31.040 30.300 -0.021 0.000 1.160 270 R HN 0.599 nan 8.270 nan 0.000 0.491 271 L N 3.852 125.025 121.223 -0.083 0.000 2.272 271 L HA 0.418 4.758 4.340 -0.000 0.000 0.289 271 L C -0.015 176.700 176.870 -0.258 0.000 1.032 271 L CA -0.385 54.306 54.840 -0.248 0.000 0.810 271 L CB 1.598 43.484 42.059 -0.288 0.000 1.205 271 L HN 0.618 nan 8.230 nan 0.000 0.422 272 E N 3.159 123.175 120.200 -0.306 0.000 2.171 272 E HA 0.495 4.845 4.350 -0.000 0.000 0.271 272 E C -1.497 174.945 176.600 -0.263 0.000 0.916 272 E CA -0.613 55.699 56.400 -0.147 0.000 0.774 272 E CB 1.326 30.976 29.700 -0.082 0.000 1.128 272 E HN 0.285 nan 8.360 nan 0.000 0.403 273 F N 1.472 121.399 119.950 -0.040 0.000 2.470 273 F HA 0.435 4.962 4.527 -0.000 0.000 0.329 273 F C 0.774 176.472 175.800 -0.170 0.000 1.072 273 F CA -0.346 57.610 58.000 -0.074 0.000 0.989 273 F CB 2.097 41.064 39.000 -0.054 0.000 1.193 273 F HN 0.403 nan 8.300 nan 0.000 0.481 274 T N -1.547 113.041 114.554 0.057 0.000 2.888 274 T HA 0.668 5.018 4.350 -0.000 0.000 0.288 274 T C 0.124 174.776 174.700 -0.080 0.000 1.063 274 T CA -0.930 61.097 62.100 -0.122 0.000 1.010 274 T CB 1.261 70.089 68.868 -0.067 0.000 1.214 274 T HN 0.899 nan 8.240 nan 0.000 0.533 275 G N 0.767 109.486 108.800 -0.134 0.000 2.163 275 G HA2 0.364 4.324 3.960 -0.000 0.000 0.239 275 G HA3 0.364 4.324 3.960 -0.000 0.000 0.239 275 G C -0.536 174.325 174.900 -0.065 0.000 1.148 275 G CA 0.133 45.183 45.100 -0.083 0.000 0.880 275 G HN 0.832 nan 8.290 nan 0.000 0.466 276 Q N 0.505 120.281 119.800 -0.040 0.000 2.615 276 Q HA 0.530 4.870 4.340 -0.000 0.000 0.298 276 Q C -0.097 175.895 176.000 -0.013 0.000 1.023 276 Q CA -0.856 54.929 55.803 -0.030 0.000 0.768 276 Q CB 1.980 30.707 28.738 -0.019 0.000 1.500 276 Q HN 0.597 nan 8.270 nan 0.000 0.441 277 S N -0.778 114.917 115.700 -0.008 0.000 2.655 277 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 277 S C 1.122 175.732 174.600 0.018 0.000 1.240 277 S CA -0.398 57.806 58.200 0.007 0.000 0.986 277 S CB 0.835 64.039 63.200 0.007 0.000 0.985 277 S HN 0.440 nan 8.310 nan 0.000 0.562 278 V N 1.456 121.387 119.914 0.028 0.000 2.332 278 V HA -0.072 4.048 4.120 -0.000 0.000 0.248 278 V C 0.465 176.568 176.094 0.015 0.000 1.055 278 V CA 1.616 63.940 62.300 0.039 0.000 1.038 278 V CB -0.569 31.276 31.823 0.038 0.000 0.651 278 V HN 0.696 nan 8.190 nan 0.000 0.450 279 D N -0.054 120.352 120.400 0.009 0.000 2.210 279 D HA 0.576 5.216 4.640 -0.000 0.000 0.249 279 D C -0.034 176.265 176.300 -0.002 0.000 1.078 279 D CA 0.260 54.261 54.000 0.002 0.000 0.875 279 D CB 1.588 42.393 40.800 0.008 0.000 1.175 279 D HN 0.251 nan 8.370 nan 0.000 0.440 280 A N 3.120 125.931 122.820 -0.014 0.000 3.030 280 A HA 0.342 4.662 4.320 -0.000 0.000 0.335 280 A C -2.024 175.572 177.584 0.021 0.000 1.089 280 A CA -1.017 51.017 52.037 -0.005 0.000 0.807 280 A CB 0.668 19.628 19.000 -0.067 0.000 1.099 280 A HN 0.300 nan 8.150 nan 0.000 0.474 281 P HA 0.050 nan 4.420 nan 0.000 0.271 281 P C 0.927 178.284 177.300 0.094 0.000 1.535 281 P CA -0.016 63.114 63.100 0.050 0.000 0.820 281 P CB 0.019 31.741 31.700 0.037 0.000 1.606 282 L N -0.739 120.562 121.223 0.129 0.000 2.042 282 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 282 L C 2.581 179.581 176.870 0.216 0.000 1.076 282 L CA 1.297 56.270 54.840 0.221 0.000 0.749 282 L CB -0.709 41.504 42.059 0.256 0.000 0.893 282 L HN 0.046 nan 8.230 nan 0.000 0.432 283 L N -1.186 120.129 121.223 0.154 0.000 2.093 283 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 283 L C 2.534 179.460 176.870 0.093 0.000 1.085 283 L CA 1.105 56.024 54.840 0.131 0.000 0.755 283 L CB -0.350 41.766 42.059 0.096 0.000 0.904 283 L HN 0.177 nan 8.230 nan 0.000 0.435 284 S N -1.112 114.626 115.700 0.064 0.000 2.458 284 S HA -0.107 4.362 4.470 -0.000 0.000 0.223 284 S C 1.715 176.309 174.600 -0.012 0.000 1.019 284 S CA 0.461 58.675 58.200 0.024 0.000 0.937 284 S CB 0.134 63.342 63.200 0.012 0.000 0.788 284 S HN 0.305 nan 8.310 nan 0.000 0.511 285 E N 1.991 122.194 120.200 0.005 0.000 2.058 285 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 285 E C 2.158 178.599 176.600 -0.266 0.000 0.997 285 E CA 2.059 58.398 56.400 -0.102 0.000 0.801 285 E CB -0.494 29.209 29.700 0.004 0.000 0.746 285 E HN 0.603 nan 8.360 nan 0.000 0.450 286 T N -2.097 112.378 114.554 -0.132 0.000 2.995 286 T HA 0.088 4.438 4.350 -0.000 0.000 0.269 286 T C 1.904 176.570 174.700 -0.057 0.000 1.091 286 T CA 0.942 62.984 62.100 -0.095 0.000 1.128 286 T CB -0.306 68.686 68.868 0.208 0.000 0.891 286 T HN 0.207 nan 8.240 nan 0.000 0.492 287 A N 2.452 125.250 122.820 -0.037 0.000 1.845 287 A HA -0.028 4.291 4.320 -0.000 0.000 0.215 287 A C 2.628 180.167 177.584 -0.074 0.000 1.195 287 A CA 1.368 53.392 52.037 -0.022 0.000 0.616 287 A CB -0.619 18.378 19.000 -0.005 0.000 0.832 287 A HN 0.508 nan 8.150 nan 0.000 0.443 288 R N -0.921 119.506 120.500 -0.123 0.000 2.075 288 R HA -0.021 4.319 4.340 -0.000 0.000 0.232 288 R C 2.505 178.669 176.300 -0.226 0.000 1.126 288 R CA 1.370 57.383 56.100 -0.144 0.000 0.963 288 R CB -0.255 29.962 30.300 -0.138 0.000 0.858 288 R HN 0.469 nan 8.270 nan 0.000 0.435 289 R N -0.542 119.719 120.500 -0.399 0.000 2.075 289 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 289 R C 1.077 176.944 176.300 -0.721 0.000 1.126 289 R CA 1.166 56.857 56.100 -0.682 0.000 0.963 289 R CB 0.041 29.657 30.300 -1.140 0.000 0.858 289 R HN 0.167 nan 8.270 nan 0.000 0.435 290 F N -0.279 119.579 119.950 -0.154 0.000 2.682 290 F HA 0.235 4.762 4.527 -0.000 0.000 0.308 290 F C 0.439 176.205 175.800 -0.058 0.000 1.093 290 F CA -0.976 56.963 58.000 -0.101 0.000 1.244 290 F CB -0.133 38.809 39.000 -0.097 0.000 1.052 290 F HN -0.064 nan 8.300 nan 0.000 0.573 291 N N 1.659 120.395 118.700 0.060 0.000 2.714 291 N HA -0.184 4.556 4.740 -0.000 0.000 0.252 291 N C -0.804 174.745 175.510 0.065 0.000 1.014 291 N CA 0.863 53.938 53.050 0.041 0.000 0.735 291 N CB -0.980 37.524 38.487 0.029 0.000 0.924 291 N HN 0.195 nan 8.380 nan 0.000 0.540 292 V N -1.121 118.843 119.914 0.083 0.000 2.555 292 V HA 0.672 4.792 4.120 -0.000 0.000 0.302 292 V C 0.379 176.520 176.094 0.079 0.000 1.038 292 V CA -1.357 60.994 62.300 0.085 0.000 0.887 292 V CB 2.002 33.883 31.823 0.098 0.000 0.991 292 V HN 0.144 nan 8.190 nan 0.000 0.434 293 N N 3.653 122.405 118.700 0.087 0.000 2.525 293 N HA 0.426 5.166 4.740 -0.000 0.000 0.271 293 N C -0.708 174.876 175.510 0.123 0.000 1.194 293 N CA -0.066 53.036 53.050 0.087 0.000 0.964 293 N CB 0.698 39.230 38.487 0.076 0.000 1.126 293 N HN 0.823 nan 8.380 nan 0.000 0.452 294 N N 1.042 119.805 118.700 0.104 0.000 2.225 294 N HA 0.387 5.127 4.740 -0.000 0.000 0.298 294 N C -1.189 174.392 175.510 0.119 0.000 1.076 294 N CA -0.533 52.590 53.050 0.122 0.000 0.792 294 N CB 1.349 39.896 38.487 0.100 0.000 1.498 294 N HN 0.451 nan 8.380 nan 0.000 0.474 295 N N 0.539 119.329 118.700 0.150 0.000 2.258 295 N HA 0.532 5.271 4.740 -0.000 0.000 0.299 295 N C -1.114 174.464 175.510 0.114 0.000 1.047 295 N CA -0.614 52.514 53.050 0.130 0.000 0.814 295 N CB 2.026 40.620 38.487 0.178 0.000 1.413 295 N HN 0.297 nan 8.380 nan 0.000 0.478 296 I N 2.903 123.527 120.570 0.089 0.000 2.382 296 I HA 0.276 4.445 4.170 -0.000 0.000 0.286 296 I C 0.974 177.134 176.117 0.072 0.000 1.002 296 I CA -0.392 60.958 61.300 0.083 0.000 1.135 296 I CB 1.306 39.348 38.000 0.070 0.000 1.288 296 I HN 0.705 nan 8.210 nan 0.000 0.448 297 I N 3.462 124.080 120.570 0.080 0.000 2.252 297 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 297 I C 0.926 177.058 176.117 0.024 0.000 1.102 297 I CA 1.054 62.388 61.300 0.056 0.000 1.385 297 I CB 0.069 38.116 38.000 0.079 0.000 1.064 297 I HN 0.733 nan 8.210 nan 0.000 0.414 298 S N -0.215 115.506 115.700 0.036 0.000 2.570 298 S HA 0.837 5.307 4.470 -0.000 0.000 0.270 298 S C -0.922 173.703 174.600 0.042 0.000 1.149 298 S CA -0.277 57.937 58.200 0.023 0.000 0.837 298 S CB 2.571 65.779 63.200 0.012 0.000 1.124 298 S HN 0.292 nan 8.310 nan 0.000 0.465 299 A N 1.404 124.240 122.820 0.025 0.000 2.372 299 A HA 0.584 4.904 4.320 -0.000 0.000 0.309 299 A C -1.674 175.902 177.584 -0.013 0.000 1.013 299 A CA -0.646 51.410 52.037 0.032 0.000 0.978 299 A CB 0.850 19.873 19.000 0.039 0.000 1.174 299 A HN 0.622 nan 8.150 nan 0.000 0.357 300 Q N 1.610 121.396 119.800 -0.024 0.000 2.375 300 Q HA 0.725 5.065 4.340 -0.000 0.000 0.271 300 Q C -0.873 175.054 176.000 -0.120 0.000 1.074 300 Q CA -0.243 55.508 55.803 -0.085 0.000 0.808 300 Q CB 2.338 31.009 28.738 -0.111 0.000 1.327 300 Q HN 0.829 nan 8.270 nan 0.000 0.441 301 M N 1.339 120.832 119.600 -0.179 0.000 2.393 301 M HA 0.495 4.975 4.480 -0.000 0.000 0.316 301 M C -0.972 175.136 176.300 -0.320 0.000 1.087 301 M CA -0.595 54.565 55.300 -0.234 0.000 0.937 301 M CB 2.197 34.646 32.600 -0.251 0.000 1.668 301 M HN 0.461 nan 8.290 nan 0.000 0.438 302 D N 0.910 121.091 120.400 -0.366 0.000 2.648 302 D HA 0.335 4.975 4.640 -0.000 0.000 0.244 302 D C -1.988 174.205 176.300 -0.180 0.000 1.244 302 D CA -0.336 53.459 54.000 -0.343 0.000 0.772 302 D CB 1.564 42.054 40.800 -0.517 0.000 1.379 302 D HN 0.403 nan 8.370 nan 0.000 0.428 303 Y N 0.316 120.713 120.300 0.163 0.000 2.335 303 Y HA 0.646 5.196 4.550 -0.000 0.000 0.339 303 Y C 0.498 176.583 175.900 0.308 0.000 0.987 303 Y CA -0.665 57.581 58.100 0.242 0.000 1.140 303 Y CB 1.859 40.403 38.460 0.139 0.000 1.173 303 Y HN 0.339 nan 8.280 nan 0.000 0.486 304 A N 1.863 124.983 122.820 0.499 0.000 2.343 304 A HA 0.637 4.957 4.320 -0.000 0.000 0.316 304 A C 0.856 178.567 177.584 0.212 0.000 1.104 304 A CA -0.203 52.010 52.037 0.293 0.000 0.768 304 A CB 0.639 19.659 19.000 0.035 0.000 1.213 304 A HN 1.325 nan 8.150 nan 0.000 0.456 305 G N 0.826 109.699 108.800 0.121 0.000 2.162 305 G HA2 0.140 4.100 3.960 -0.000 0.000 0.260 305 G HA3 0.140 4.100 3.960 -0.000 0.000 0.260 305 G C 1.634 176.622 174.900 0.146 0.000 0.976 305 G CA 1.181 46.340 45.100 0.098 0.000 0.655 305 G HN 2.820 nan 8.290 nan 0.000 0.533 306 G N -2.713 106.194 108.800 0.178 0.000 2.195 306 G HA2 0.120 4.079 3.960 -0.000 0.000 0.246 306 G HA3 0.120 4.079 3.960 -0.000 0.000 0.246 306 G C 0.914 175.937 174.900 0.206 0.000 0.984 306 G CA 1.510 46.702 45.100 0.153 0.000 0.633 306 G HN 2.366 nan 8.290 nan 0.000 0.525 307 V N -3.215 116.886 119.914 0.312 0.000 3.001 307 V HA 0.817 4.937 4.120 -0.000 0.000 0.314 307 V C 0.332 176.678 176.094 0.420 0.000 1.099 307 V CA -1.752 60.741 62.300 0.322 0.000 0.989 307 V CB 1.626 33.580 31.823 0.218 0.000 1.040 307 V HN 0.253 nan 8.190 nan 0.000 0.434 308 K N 1.303 121.884 120.400 0.303 0.000 2.448 308 K HA 0.326 4.646 4.320 -0.000 0.000 0.278 308 K C -1.045 175.562 176.600 0.012 0.000 1.009 308 K CA 0.586 56.933 56.287 0.100 0.000 0.995 308 K CB 0.316 32.772 32.500 -0.073 0.000 0.917 308 K HN 0.686 nan 8.250 nan 0.000 0.481 309 F N 0.823 120.818 119.950 0.075 0.000 2.749 309 F HA 0.211 4.738 4.527 -0.000 0.000 0.380 309 F C 0.801 176.733 175.800 0.219 0.000 1.365 309 F CA -0.624 57.462 58.000 0.142 0.000 1.186 309 F CB 1.081 40.134 39.000 0.089 0.000 1.080 309 F HN 0.601 nan 8.300 nan 0.000 0.513 310 G N 1.280 110.154 108.800 0.124 0.000 2.380 310 G HA2 0.485 4.445 3.960 -0.000 0.000 0.262 310 G HA3 0.485 4.445 3.960 -0.000 0.000 0.262 310 G C -0.667 174.368 174.900 0.225 0.000 1.243 310 G CA -0.043 45.095 45.100 0.064 0.000 0.865 310 G HN 0.198 nan 8.290 nan 0.000 0.513 311 I N 2.028 122.738 120.570 0.234 0.000 2.418 311 I HA 0.386 4.555 4.170 -0.000 0.000 0.287 311 I C 0.103 176.359 176.117 0.232 0.000 1.008 311 I CA -0.294 61.189 61.300 0.305 0.000 1.104 311 I CB 2.061 40.217 38.000 0.259 0.000 1.264 311 I HN 0.397 nan 8.210 nan 0.000 0.438 312 M N 7.223 127.029 119.600 0.344 0.000 2.253 312 M HA 0.600 5.080 4.480 -0.000 0.000 0.314 312 M C -1.829 174.576 176.300 0.174 0.000 1.019 312 M CA -0.561 54.890 55.300 0.252 0.000 0.932 312 M CB 1.449 34.273 32.600 0.373 0.000 1.606 312 M HN 0.447 nan 8.290 nan 0.000 0.430 313 L N 3.683 124.973 121.223 0.111 0.000 2.296 313 L HA 0.666 5.005 4.340 -0.000 0.000 0.286 313 L C -0.220 176.697 176.870 0.077 0.000 1.023 313 L CA -0.430 54.457 54.840 0.079 0.000 0.812 313 L CB 1.923 44.022 42.059 0.066 0.000 1.223 313 L HN 0.703 nan 8.230 nan 0.000 0.421 314 T N 1.761 116.351 114.554 0.061 0.000 2.883 314 T HA 0.395 4.744 4.350 -0.000 0.000 0.301 314 T C -1.127 173.591 174.700 0.030 0.000 1.158 314 T CA -0.547 61.591 62.100 0.064 0.000 1.007 314 T CB 1.805 70.719 68.868 0.077 0.000 1.186 314 T HN 0.605 nan 8.240 nan 0.000 0.499 315 E N 2.051 122.270 120.200 0.032 0.000 2.204 315 E HA 0.459 4.809 4.350 -0.000 0.000 0.276 315 E C -0.808 175.757 176.600 -0.058 0.000 0.974 315 E CA -0.637 55.732 56.400 -0.051 0.000 0.815 315 E CB 2.097 31.748 29.700 -0.081 0.000 1.119 315 E HN 0.473 nan 8.360 nan 0.000 0.393 316 M N 4.001 123.532 119.600 -0.114 0.000 2.078 316 M HA 0.231 4.711 4.480 -0.000 0.000 0.320 316 M C -0.949 175.290 176.300 -0.100 0.000 0.969 316 M CA -0.466 54.804 55.300 -0.049 0.000 0.929 316 M CB 0.599 33.193 32.600 -0.010 0.000 1.504 316 M HN 0.558 nan 8.290 nan 0.000 0.419 317 H N 2.367 121.451 119.070 0.023 0.000 2.544 317 H HA 0.685 5.240 4.556 -0.000 0.000 0.365 317 H C 0.663 176.000 175.328 0.016 0.000 1.268 317 H CA 1.049 57.107 56.048 0.017 0.000 1.400 317 H CB 1.265 31.039 29.762 0.020 0.000 1.538 317 H HN 0.971 nan 8.280 nan 0.000 0.597 318 G N -0.007 108.891 108.800 0.163 0.000 2.447 318 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.220 318 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.220 318 G C -0.296 174.631 174.900 0.045 0.000 1.261 318 G CA -0.354 44.798 45.100 0.086 0.000 1.000 318 G HN 0.809 nan 8.290 nan 0.000 0.515 319 T N -1.631 112.939 114.554 0.028 0.000 2.897 319 T HA 0.559 4.909 4.350 -0.000 0.000 0.294 319 T C 1.300 175.998 174.700 -0.003 0.000 1.004 319 T CA 0.633 62.738 62.100 0.007 0.000 1.106 319 T CB 1.794 70.665 68.868 0.005 0.000 0.949 319 T HN 0.696 nan 8.240 nan 0.000 0.520 320 Q N 1.104 120.892 119.800 -0.019 0.000 2.119 320 Q HA -0.158 4.182 4.340 -0.000 0.000 0.201 320 Q C 2.504 178.487 176.000 -0.028 0.000 0.972 320 Q CA 1.574 57.362 55.803 -0.025 0.000 0.847 320 Q CB -0.131 28.584 28.738 -0.039 0.000 0.903 320 Q HN 0.791 nan 8.270 nan 0.000 0.433 321 Q N 0.404 120.188 119.800 -0.027 0.000 2.084 321 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 321 Q C 1.512 177.489 176.000 -0.038 0.000 0.978 321 Q CA 1.249 57.034 55.803 -0.030 0.000 0.844 321 Q CB 0.069 28.794 28.738 -0.022 0.000 0.898 321 Q HN 0.372 nan 8.270 nan 0.000 0.426 322 D N -0.284 120.100 120.400 -0.026 0.000 2.117 322 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 322 D C 2.142 178.395 176.300 -0.077 0.000 0.982 322 D CA 1.897 55.879 54.000 -0.031 0.000 0.828 322 D CB -0.307 40.506 40.800 0.021 0.000 0.967 322 D HN 0.386 nan 8.370 nan 0.000 0.464 323 T N -1.050 113.476 114.554 -0.047 0.000 2.821 323 T HA -0.152 4.197 4.350 -0.000 0.000 0.267 323 T C 1.939 176.590 174.700 -0.082 0.000 1.046 323 T CA 0.972 63.042 62.100 -0.050 0.000 1.139 323 T CB -0.353 68.505 68.868 -0.016 0.000 0.871 323 T HN 0.132 nan 8.240 nan 0.000 0.454 324 Q N 1.047 120.803 119.800 -0.073 0.000 2.084 324 Q HA 0.028 4.368 4.340 -0.000 0.000 0.202 324 Q C 2.803 178.733 176.000 -0.115 0.000 0.978 324 Q CA 1.534 57.295 55.803 -0.071 0.000 0.844 324 Q CB -0.463 28.245 28.738 -0.050 0.000 0.898 324 Q HN 0.751 nan 8.270 nan 0.000 0.426 325 A N 0.935 123.649 122.820 -0.175 0.000 1.898 325 A HA -0.057 4.262 4.320 -0.000 0.000 0.216 325 A C 2.273 179.561 177.584 -0.493 0.000 1.181 325 A CA 1.436 53.306 52.037 -0.278 0.000 0.620 325 A CB -0.657 18.164 19.000 -0.299 0.000 0.819 325 A HN 0.387 nan 8.150 nan 0.000 0.442 326 A N 0.724 123.202 122.820 -0.571 0.000 1.898 326 A HA -0.064 4.255 4.320 -0.000 0.000 0.216 326 A C 2.133 179.671 177.584 -0.077 0.000 1.181 326 A CA 1.478 53.160 52.037 -0.593 0.000 0.620 326 A CB -0.805 18.075 19.000 -0.199 0.000 0.819 326 A HN 0.927 nan 8.150 nan 0.000 0.442 327 I N -2.774 117.768 120.570 -0.047 0.000 2.439 327 I HA -0.011 4.158 4.170 -0.000 0.000 0.251 327 I C 2.386 178.517 176.117 0.022 0.000 1.139 327 I CA 1.264 62.574 61.300 0.017 0.000 1.438 327 I CB -0.560 37.430 38.000 -0.017 0.000 1.085 327 I HN 0.164 nan 8.210 nan 0.000 0.427 328 A N 1.139 123.952 122.820 -0.011 0.000 1.902 328 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 328 A C 2.141 179.769 177.584 0.074 0.000 1.181 328 A CA 1.729 53.766 52.037 0.000 0.000 0.623 328 A CB -1.437 17.548 19.000 -0.025 0.000 0.818 328 A HN 0.807 nan 8.150 nan 0.000 0.443 329 W N 0.704 121.979 121.300 -0.041 0.000 2.358 329 W HA -0.161 4.499 4.660 -0.000 0.000 0.303 329 W C 1.723 178.344 176.519 0.170 0.000 1.208 329 W CA 1.878 59.291 57.345 0.113 0.000 1.274 329 W CB -0.288 29.335 29.460 0.272 0.000 1.138 329 W HN 0.260 nan 8.180 nan 0.000 0.515 330 L N 0.235 121.532 121.223 0.122 0.000 2.046 330 L HA -0.278 4.062 4.340 -0.000 0.000 0.208 330 L C 2.717 179.482 176.870 -0.174 0.000 1.077 330 L CA 1.978 56.762 54.840 -0.094 0.000 0.747 330 L CB -1.143 40.945 42.059 0.048 0.000 0.896 330 L HN 0.141 nan 8.230 nan 0.000 0.432 331 Q N 0.395 120.121 119.800 -0.124 0.000 2.084 331 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 331 Q C 2.004 177.883 176.000 -0.201 0.000 0.978 331 Q CA 1.734 57.451 55.803 -0.143 0.000 0.844 331 Q CB 0.051 28.726 28.738 -0.104 0.000 0.898 331 Q HN 0.513 nan 8.270 nan 0.000 0.426 332 E N -0.455 119.606 120.200 -0.232 0.000 2.110 332 E HA -0.172 4.177 4.350 -0.000 0.000 0.193 332 E C 0.870 177.205 176.600 -0.442 0.000 0.988 332 E CA 0.739 56.948 56.400 -0.319 0.000 0.804 332 E CB -0.054 29.466 29.700 -0.301 0.000 0.745 332 E HN 0.486 nan 8.360 nan 0.000 0.458 333 H N 0.196 119.027 119.070 -0.399 0.000 2.813 333 H HA 0.064 4.620 4.556 -0.000 0.000 0.312 333 H C -0.521 174.799 175.328 -0.013 0.000 1.228 333 H CA 0.172 56.073 56.048 -0.244 0.000 1.154 333 H CB -0.363 29.105 29.762 -0.490 0.000 1.418 333 H HN 0.302 nan 8.280 nan 0.000 0.525 334 H N -1.907 117.097 119.070 -0.110 0.000 2.791 334 H HA -0.138 4.418 4.556 -0.000 0.000 0.302 334 H C -0.597 174.689 175.328 -0.071 0.000 1.198 334 H CA 0.412 56.414 56.048 -0.077 0.000 1.145 334 H CB -2.001 27.736 29.762 -0.042 0.000 1.385 334 H HN 0.108 nan 8.280 nan 0.000 0.409 335 V N 0.717 120.595 119.914 -0.060 0.000 2.487 335 V HA 0.321 4.441 4.120 -0.000 0.000 0.298 335 V C 0.411 176.377 176.094 -0.212 0.000 1.028 335 V CA -1.092 61.102 62.300 -0.177 0.000 0.860 335 V CB 2.030 33.740 31.823 -0.188 0.000 0.991 335 V HN 0.097 nan 8.190 nan 0.000 0.427 336 K N 3.386 123.628 120.400 -0.263 0.000 2.172 336 K HA 0.647 4.967 4.320 -0.000 0.000 0.276 336 K C -0.817 175.657 176.600 -0.210 0.000 1.013 336 K CA -0.407 55.764 56.287 -0.194 0.000 0.913 336 K CB 2.121 34.522 32.500 -0.166 0.000 1.055 336 K HN 0.424 nan 8.250 nan 0.000 0.461 337 V N 2.213 122.037 119.914 -0.149 0.000 2.487 337 V HA 0.355 4.474 4.120 -0.000 0.000 0.298 337 V C -0.239 175.795 176.094 -0.100 0.000 1.028 337 V CA -0.773 61.450 62.300 -0.129 0.000 0.860 337 V CB 1.797 33.559 31.823 -0.102 0.000 0.991 337 V HN 0.768 nan 8.190 nan 0.000 0.427 338 E N 3.154 123.296 120.200 -0.097 0.000 2.314 338 E HA 0.674 5.023 4.350 -0.000 0.000 0.272 338 E C -2.011 174.532 176.600 -0.094 0.000 0.884 338 E CA -0.570 55.781 56.400 -0.082 0.000 0.753 338 E CB 2.653 32.311 29.700 -0.070 0.000 1.213 338 E HN 0.430 nan 8.360 nan 0.000 0.432 339 V N 6.066 125.915 119.914 -0.108 0.000 2.384 339 V HA 0.174 4.294 4.120 -0.000 0.000 0.287 339 V C 1.293 177.292 176.094 -0.159 0.000 1.020 339 V CA -0.368 61.831 62.300 -0.168 0.000 0.850 339 V CB 1.254 32.927 31.823 -0.251 0.000 0.987 339 V HN 0.851 nan 8.190 nan 0.000 0.436 340 L N 3.762 124.901 121.223 -0.140 0.000 2.083 340 L HA 0.191 4.531 4.340 -0.000 0.000 0.209 340 L C 1.262 178.064 176.870 -0.113 0.000 1.083 340 L CA 1.801 56.588 54.840 -0.089 0.000 0.752 340 L CB -0.246 41.784 42.059 -0.049 0.000 0.899 340 L HN 0.905 nan 8.230 nan 0.000 0.433 341 G N -2.989 105.672 108.800 -0.232 0.000 2.344 341 G HA2 0.184 4.144 3.960 -0.000 0.000 0.282 341 G HA3 0.184 4.144 3.960 -0.000 0.000 0.282 341 G C -2.071 172.543 174.900 -0.477 0.000 1.281 341 G CA -0.807 44.143 45.100 -0.250 0.000 0.877 341 G HN -0.186 nan 8.290 nan 0.000 0.494 342 Y N -0.289 120.030 120.300 0.032 0.000 2.429 342 Y HA 0.668 5.218 4.550 -0.000 0.000 0.342 342 Y C 0.773 176.719 175.900 0.076 0.000 1.004 342 Y CA -0.499 57.621 58.100 0.033 0.000 1.075 342 Y CB 2.292 40.790 38.460 0.062 0.000 1.214 342 Y HN 0.669 nan 8.280 nan 0.000 0.455 343 V N 0.000 119.987 119.914 0.121 0.000 2.409 343 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 343 V CA 0.000 62.306 62.300 0.010 0.000 1.235 343 V CB 0.000 31.669 31.823 -0.256 0.000 1.184 343 V HN 0.000 nan 8.190 nan 0.000 0.556