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 3dqq_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLKIGVIADD FTGATDIASF LVENGMPTVQ INDVPTGTQP EGCDAVVISL DATA SEQUENCE KTRSCPAQEA IKQSLAALVW LKKQGCQQVY FKYCSTFDST AEGNIGPVTD DATA SEQUENCE ALMVALDTSF TVISPALPVN GRTVYQGYLF VMNHLLAESG MRHHPINPMT DATA SEQUENCE DSYLPRLMEA QAQGRCGVIP AQTLDEGVAA TRAALSRLQQ EGYRYAVLDA DATA SEQUENCE LNERHLEIQG EVLRDAPLVT GGSGLAMGLA RQWAKXXXXX XXSAGYPLSG DATA SEQUENCE RAVVLSGSCS QMTNQQVAFY RQHAPTRDVD VARCLSSETR EAYAEALAQW DATA SEQUENCE VLSQDSELAP MISATASTQA LAAIQQQYGA TEASHAVEAL FSLLAARLAE DATA SEQUENCE GGITRFIVAG GETSGVVTQS LGITGFHIGP CISPGVPWVN ALHAPVSLAL DATA SEQUENCE KSGNFGDESF FIRAQREFQ 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 0.000 176.235 176.300 -0.109 0.000 1.140 1 M CA 0.000 55.246 55.300 -0.090 0.000 0.988 1 M CB 0.000 32.560 32.600 -0.067 0.000 1.302 2 L N 3.391 124.557 121.223 -0.095 0.000 2.597 2 L HA 0.278 4.618 4.340 -0.000 0.000 0.271 2 L C 1.173 177.973 176.870 -0.116 0.000 1.157 2 L CA 0.902 55.689 54.840 -0.088 0.000 0.928 2 L CB 0.575 42.593 42.059 -0.068 0.000 1.216 2 L HN 0.553 nan 8.230 nan 0.000 0.481 3 K N 4.200 124.502 120.400 -0.164 0.000 2.211 3 K HA 0.302 4.622 4.320 -0.000 0.000 0.201 3 K C -0.047 176.447 176.600 -0.177 0.000 1.052 3 K CA 0.642 56.768 56.287 -0.268 0.000 0.973 3 K CB 0.288 32.499 32.500 -0.482 0.000 0.766 3 K HN 0.613 nan 8.250 nan 0.000 0.466 4 I N 0.128 120.641 120.570 -0.094 0.000 2.569 4 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 4 I C -0.671 175.463 176.117 0.028 0.000 1.088 4 I CA -1.105 60.192 61.300 -0.005 0.000 1.047 4 I CB 2.326 40.335 38.000 0.015 0.000 1.237 4 I HN -0.017 nan 8.210 nan 0.000 0.421 5 G N 5.459 114.302 108.800 0.073 0.000 2.487 5 G HA2 0.624 4.584 3.960 -0.000 0.000 0.314 5 G HA3 0.624 4.584 3.960 -0.000 0.000 0.314 5 G C -1.018 173.963 174.900 0.135 0.000 1.267 5 G CA -0.366 44.794 45.100 0.101 0.000 0.937 5 G HN 0.304 nan 8.290 nan 0.000 0.481 6 V N 3.714 123.697 119.914 0.114 0.000 2.435 6 V HA 0.422 4.542 4.120 -0.000 0.000 0.290 6 V C 0.053 176.227 176.094 0.133 0.000 1.030 6 V CA -0.647 61.740 62.300 0.146 0.000 0.881 6 V CB 1.589 33.449 31.823 0.062 0.000 0.983 6 V HN 0.627 nan 8.190 nan 0.000 0.445 7 I N 4.339 125.023 120.570 0.190 0.000 2.330 7 I HA 0.620 4.790 4.170 -0.000 0.000 0.286 7 I C 0.415 176.682 176.117 0.250 0.000 1.025 7 I CA -0.281 61.120 61.300 0.168 0.000 1.197 7 I CB 1.310 39.387 38.000 0.128 0.000 1.358 7 I HN 0.682 nan 8.210 nan 0.000 0.467 8 A N 4.576 127.489 122.820 0.155 0.000 2.312 8 A HA 0.398 4.718 4.320 -0.000 0.000 0.326 8 A C 0.577 178.253 177.584 0.154 0.000 1.172 8 A CA -0.644 51.477 52.037 0.140 0.000 0.821 8 A CB 0.630 19.663 19.000 0.056 0.000 1.166 8 A HN 0.777 nan 8.150 nan 0.000 0.493 9 D N 0.856 121.360 120.400 0.174 0.000 2.328 9 D HA 0.084 4.724 4.640 -0.000 0.000 0.226 9 D C -0.138 176.230 176.300 0.113 0.000 1.066 9 D CA 0.551 54.651 54.000 0.167 0.000 0.861 9 D CB 0.132 41.059 40.800 0.211 0.000 0.912 9 D HN 0.540 nan 8.370 nan 0.000 0.521 10 D N -2.029 118.434 120.400 0.105 0.000 2.692 10 D HA 0.095 4.735 4.640 -0.000 0.000 0.303 10 D C -0.304 176.088 176.300 0.153 0.000 1.278 10 D CA -0.931 53.147 54.000 0.129 0.000 0.852 10 D CB -0.070 40.802 40.800 0.120 0.000 1.375 10 D HN -0.151 nan 8.370 nan 0.000 0.453 11 F N 0.636 120.609 119.950 0.039 0.000 2.074 11 F HA 0.020 4.547 4.527 -0.000 0.000 0.290 11 F C 2.261 178.096 175.800 0.060 0.000 1.118 11 F CA 2.088 60.114 58.000 0.044 0.000 1.199 11 F CB -0.635 38.392 39.000 0.044 0.000 1.012 11 F HN 0.411 nan 8.300 nan 0.000 0.472 12 T N 0.052 114.681 114.554 0.125 0.000 2.649 12 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 12 T C 1.995 176.668 174.700 -0.045 0.000 1.036 12 T CA 1.900 64.014 62.100 0.023 0.000 1.157 12 T CB -1.241 67.715 68.868 0.147 0.000 0.861 12 T HN 0.498 nan 8.240 nan 0.000 0.445 13 G N 0.325 109.130 108.800 0.008 0.000 2.448 13 G HA2 0.089 4.049 3.960 -0.000 0.000 0.218 13 G HA3 0.089 4.049 3.960 -0.000 0.000 0.218 13 G C 1.795 176.670 174.900 -0.042 0.000 1.135 13 G CA 0.894 45.995 45.100 0.001 0.000 0.784 13 G HN 0.597 nan 8.290 nan 0.000 0.543 14 A N 0.935 123.709 122.820 -0.077 0.000 1.892 14 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 14 A C 2.652 180.164 177.584 -0.121 0.000 1.188 14 A CA 2.941 54.918 52.037 -0.101 0.000 0.631 14 A CB -1.164 17.753 19.000 -0.139 0.000 0.822 14 A HN 0.556 nan 8.150 nan 0.000 0.447 15 T N -2.624 111.814 114.554 -0.193 0.000 2.985 15 T HA -0.098 4.252 4.350 -0.000 0.000 0.266 15 T C 1.535 176.172 174.700 -0.105 0.000 1.076 15 T CA 1.655 63.669 62.100 -0.145 0.000 1.135 15 T CB -0.368 68.378 68.868 -0.203 0.000 0.890 15 T HN 0.372 nan 8.240 nan 0.000 0.480 16 D N 0.958 121.301 120.400 -0.095 0.000 2.092 16 D HA -0.079 4.561 4.640 -0.000 0.000 0.193 16 D C 1.892 178.259 176.300 0.112 0.000 0.994 16 D CA 1.424 55.404 54.000 -0.035 0.000 0.828 16 D CB -0.467 40.339 40.800 0.009 0.000 0.963 16 D HN 0.512 nan 8.370 nan 0.000 0.450 17 I N -0.288 120.321 120.570 0.066 0.000 2.252 17 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 17 I C 2.110 178.258 176.117 0.053 0.000 1.102 17 I CA 1.221 62.559 61.300 0.063 0.000 1.385 17 I CB -0.198 37.740 38.000 -0.104 0.000 1.064 17 I HN 0.066 nan 8.210 nan 0.000 0.414 18 A N -0.193 122.625 122.820 -0.003 0.000 1.903 18 A HA -0.313 4.007 4.320 -0.000 0.000 0.219 18 A C 2.475 180.065 177.584 0.009 0.000 1.191 18 A CA 2.441 54.475 52.037 -0.005 0.000 0.638 18 A CB -1.236 17.759 19.000 -0.008 0.000 0.823 18 A HN 0.536 nan 8.150 nan 0.000 0.451 19 S N -1.650 114.037 115.700 -0.021 0.000 2.368 19 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 19 S C 1.708 176.231 174.600 -0.128 0.000 1.030 19 S CA 1.431 59.572 58.200 -0.098 0.000 0.999 19 S CB -0.545 62.529 63.200 -0.210 0.000 0.844 19 S HN 0.479 nan 8.310 nan 0.000 0.459 20 F N 1.589 121.495 119.950 -0.072 0.000 2.171 20 F HA 0.011 4.538 4.527 -0.000 0.000 0.300 20 F C 2.067 177.845 175.800 -0.037 0.000 1.090 20 F CA 1.018 58.984 58.000 -0.057 0.000 1.293 20 F CB -0.316 38.640 39.000 -0.074 0.000 1.013 20 F HN 0.193 nan 8.300 nan 0.000 0.486 21 L N -0.994 120.307 121.223 0.131 0.000 2.017 21 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 21 L C 2.351 179.258 176.870 0.062 0.000 1.073 21 L CA 0.829 55.715 54.840 0.075 0.000 0.745 21 L CB -0.810 41.267 42.059 0.030 0.000 0.894 21 L HN -0.039 nan 8.230 nan 0.000 0.432 22 V N -0.617 119.321 119.914 0.041 0.000 2.358 22 V HA -0.192 3.927 4.120 -0.000 0.000 0.246 22 V C 2.237 178.352 176.094 0.035 0.000 1.047 22 V CA 1.357 63.682 62.300 0.042 0.000 1.035 22 V CB -0.433 31.416 31.823 0.043 0.000 0.658 22 V HN 0.400 nan 8.190 nan 0.000 0.452 23 E N 0.477 120.681 120.200 0.006 0.000 2.510 23 E HA -0.080 4.270 4.350 -0.000 0.000 0.202 23 E C 0.915 177.537 176.600 0.036 0.000 1.072 23 E CA 0.481 56.881 56.400 -0.001 0.000 0.883 23 E CB -0.329 29.325 29.700 -0.077 0.000 0.818 23 E HN 0.638 nan 8.360 nan 0.000 0.548 24 N N -0.558 118.179 118.700 0.063 0.000 2.365 24 N HA 0.125 4.865 4.740 -0.000 0.000 0.257 24 N C 0.387 175.948 175.510 0.085 0.000 1.287 24 N CA 0.457 53.554 53.050 0.079 0.000 0.882 24 N CB 1.725 40.274 38.487 0.103 0.000 1.250 24 N HN 0.147 nan 8.380 nan 0.000 0.507 25 G N 1.573 110.416 108.800 0.072 0.000 2.131 25 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.223 25 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.223 25 G C -0.069 174.875 174.900 0.074 0.000 0.990 25 G CA -0.210 44.934 45.100 0.073 0.000 0.671 25 G HN 0.322 nan 8.290 nan 0.000 0.521 26 M N 1.438 121.079 119.600 0.068 0.000 2.006 26 M HA 0.446 4.926 4.480 -0.000 0.000 0.314 26 M C -2.596 173.732 176.300 0.046 0.000 0.926 26 M CA -2.151 53.180 55.300 0.052 0.000 0.906 26 M CB 1.695 34.325 32.600 0.051 0.000 1.422 26 M HN -0.108 nan 8.290 nan 0.000 0.397 27 P HA 0.132 nan 4.420 nan 0.000 0.265 27 P C -1.155 176.183 177.300 0.063 0.000 1.193 27 P CA 0.199 63.339 63.100 0.068 0.000 0.765 27 P CB 0.673 32.416 31.700 0.072 0.000 0.823 28 T N 1.756 116.357 114.554 0.078 0.000 2.933 28 T HA 0.436 4.786 4.350 -0.000 0.000 0.305 28 T C -0.711 174.011 174.700 0.036 0.000 1.092 28 T CA -0.437 61.690 62.100 0.046 0.000 1.008 28 T CB 1.324 70.210 68.868 0.029 0.000 1.102 28 T HN -0.031 nan 8.240 nan 0.000 0.469 29 V N 2.451 122.346 119.914 -0.032 0.000 2.628 29 V HA 0.548 4.668 4.120 -0.000 0.000 0.306 29 V C -0.240 175.767 176.094 -0.146 0.000 1.045 29 V CA -0.767 61.456 62.300 -0.129 0.000 0.905 29 V CB 1.939 33.619 31.823 -0.238 0.000 0.997 29 V HN 0.853 nan 8.190 nan 0.000 0.436 30 Q N 3.563 123.218 119.800 -0.242 0.000 2.282 30 Q HA 0.707 5.047 4.340 -0.000 0.000 0.260 30 Q C -1.535 174.162 176.000 -0.505 0.000 0.964 30 Q CA -0.515 55.072 55.803 -0.360 0.000 0.880 30 Q CB 1.692 30.173 28.738 -0.429 0.000 1.286 30 Q HN 0.713 nan 8.270 nan 0.000 0.445 31 I N 3.112 123.458 120.570 -0.374 0.000 2.545 31 I HA 0.319 4.489 4.170 -0.000 0.000 0.292 31 I C -0.639 175.317 176.117 -0.267 0.000 1.040 31 I CA -1.005 60.083 61.300 -0.353 0.000 1.068 31 I CB 2.039 39.825 38.000 -0.357 0.000 1.251 31 I HN 0.565 nan 8.210 nan 0.000 0.424 32 N N 6.320 124.898 118.700 -0.204 0.000 2.767 32 N HA 0.319 5.059 4.740 -0.000 0.000 0.238 32 N C -1.263 174.192 175.510 -0.092 0.000 1.083 32 N CA -0.097 52.902 53.050 -0.085 0.000 0.964 32 N CB 0.555 39.045 38.487 0.004 0.000 1.252 32 N HN 0.605 nan 8.380 nan 0.000 0.512 33 D N -1.139 119.197 120.400 -0.106 0.000 10.441 33 D HA -0.149 4.491 4.640 -0.000 0.000 0.324 33 D C -0.493 175.705 176.300 -0.169 0.000 3.160 33 D CA -0.286 53.652 54.000 -0.102 0.000 2.721 33 D CB 0.442 41.192 40.800 -0.084 0.000 1.295 33 D HN -0.047 nan 8.370 nan 0.000 0.959 34 V N 1.577 121.403 119.914 -0.147 0.000 2.644 34 V HA 0.063 4.183 4.120 -0.000 0.000 0.303 34 V C -1.628 174.278 176.094 -0.313 0.000 1.058 34 V CA -0.061 62.118 62.300 -0.202 0.000 1.228 34 V CB -0.520 31.238 31.823 -0.109 0.000 0.861 34 V HN 0.361 nan 8.190 nan 0.000 0.484 35 P HA 0.223 nan 4.420 nan 0.000 0.272 35 P C 0.733 177.773 177.300 -0.432 0.000 1.223 35 P CA -0.135 62.536 63.100 -0.716 0.000 0.784 35 P CB 0.565 31.295 31.700 -1.616 0.000 0.923 36 T N -2.043 112.411 114.554 -0.166 0.000 2.971 36 T HA 0.259 4.609 4.350 -0.000 0.000 0.252 36 T C 1.183 175.972 174.700 0.147 0.000 1.022 36 T CA 0.183 62.297 62.100 0.022 0.000 0.980 36 T CB -0.188 68.682 68.868 0.004 0.000 1.044 36 T HN 0.419 nan 8.240 nan 0.000 0.501 37 G N 1.475 110.368 108.800 0.156 0.000 2.873 37 G HA2 0.451 4.411 3.960 -0.000 0.000 0.170 37 G HA3 0.451 4.411 3.960 -0.000 0.000 0.170 37 G C -0.079 175.048 174.900 0.378 0.000 1.608 37 G CA 0.393 45.623 45.100 0.218 0.000 1.084 37 G HN 0.487 nan 8.290 nan 0.000 0.563 38 T N -1.985 112.756 114.554 0.312 0.000 2.926 38 T HA 0.428 4.778 4.350 -0.000 0.000 0.289 38 T C -0.464 174.404 174.700 0.280 0.000 1.054 38 T CA -0.453 61.774 62.100 0.212 0.000 1.015 38 T CB 1.584 70.516 68.868 0.107 0.000 1.167 38 T HN 0.488 nan 8.240 nan 0.000 0.526 39 Q N 2.054 121.910 119.800 0.093 0.000 2.281 39 Q HA 0.263 4.603 4.340 -0.000 0.000 0.267 39 Q C -2.122 173.951 176.000 0.121 0.000 1.053 39 Q CA -1.442 54.431 55.803 0.117 0.000 0.905 39 Q CB 0.293 28.998 28.738 -0.055 0.000 1.195 39 Q HN 0.403 nan 8.270 nan 0.000 0.398 40 P HA -0.049 nan 4.420 nan 0.000 0.265 40 P C -1.010 176.337 177.300 0.079 0.000 1.193 40 P CA 0.290 63.439 63.100 0.082 0.000 0.765 40 P CB 0.525 32.225 31.700 -0.000 0.000 0.823 41 E N 1.161 121.417 120.200 0.094 0.000 2.404 41 E HA 0.327 4.677 4.350 -0.000 0.000 0.261 41 E C 1.096 177.786 176.600 0.151 0.000 1.074 41 E CA 0.435 56.891 56.400 0.094 0.000 0.917 41 E CB 0.044 29.792 29.700 0.080 0.000 0.965 41 E HN 0.747 nan 8.360 nan 0.000 0.433 42 G N 1.164 110.033 108.800 0.114 0.000 2.157 42 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.239 42 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.239 42 G C -0.065 174.912 174.900 0.129 0.000 0.982 42 G CA -0.210 44.971 45.100 0.136 0.000 0.650 42 G HN 0.529 nan 8.290 nan 0.000 0.527 43 C N 0.513 119.864 119.300 0.084 0.000 2.411 43 C HA 0.709 5.169 4.460 -0.000 0.000 0.330 43 C C 0.808 175.809 174.990 0.018 0.000 1.224 43 C CA -0.450 58.600 59.018 0.054 0.000 1.770 43 C CB 1.658 29.423 27.740 0.041 0.000 2.297 43 C HN 0.392 nan 8.230 nan 0.000 0.507 44 D N 0.557 120.959 120.400 0.003 0.000 2.423 44 D HA 0.247 4.887 4.640 -0.000 0.000 0.208 44 D C 0.460 176.733 176.300 -0.045 0.000 1.068 44 D CA 0.561 54.537 54.000 -0.040 0.000 0.860 44 D CB 0.599 41.364 40.800 -0.059 0.000 0.992 44 D HN 0.681 nan 8.370 nan 0.000 0.504 45 A N 0.413 123.226 122.820 -0.013 0.000 2.435 45 A HA 0.653 4.973 4.320 -0.000 0.000 0.304 45 A C -0.975 176.619 177.584 0.017 0.000 1.064 45 A CA -0.531 51.503 52.037 -0.005 0.000 0.727 45 A CB 1.999 20.991 19.000 -0.012 0.000 1.284 45 A HN -0.106 nan 8.150 nan 0.000 0.415 46 V N 1.323 121.261 119.914 0.039 0.000 2.588 46 V HA 0.513 4.633 4.120 -0.000 0.000 0.304 46 V C -0.612 175.495 176.094 0.022 0.000 1.042 46 V CA -0.601 61.725 62.300 0.043 0.000 0.877 46 V CB 1.758 33.669 31.823 0.147 0.000 0.996 46 V HN 0.676 nan 8.190 nan 0.000 0.425 47 V N 5.844 125.738 119.914 -0.034 0.000 2.347 47 V HA 0.470 4.590 4.120 -0.000 0.000 0.280 47 V C -0.076 175.966 176.094 -0.087 0.000 1.021 47 V CA -0.344 61.930 62.300 -0.044 0.000 0.847 47 V CB 1.471 33.257 31.823 -0.062 0.000 0.990 47 V HN 0.672 nan 8.190 nan 0.000 0.444 48 I N 3.750 124.285 120.570 -0.058 0.000 2.312 48 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 48 I C 0.639 176.725 176.117 -0.052 0.000 1.031 48 I CA 0.192 61.430 61.300 -0.103 0.000 1.293 48 I CB 1.481 39.418 38.000 -0.106 0.000 1.403 48 I HN 0.574 nan 8.210 nan 0.000 0.484 49 S N 7.646 123.308 115.700 -0.063 0.000 2.465 49 S HA 0.598 5.068 4.470 -0.000 0.000 0.279 49 S C -0.407 174.208 174.600 0.025 0.000 1.201 49 S CA -0.463 57.741 58.200 0.006 0.000 1.053 49 S CB 0.142 63.374 63.200 0.054 0.000 0.953 49 S HN 0.407 nan 8.310 nan 0.000 0.488 50 L N 4.088 125.341 121.223 0.049 0.000 2.301 50 L HA 0.583 4.923 4.340 -0.000 0.000 0.264 50 L C 0.010 176.918 176.870 0.064 0.000 1.016 50 L CA -0.982 53.882 54.840 0.041 0.000 0.821 50 L CB 1.596 43.673 42.059 0.031 0.000 1.346 50 L HN 0.481 nan 8.230 nan 0.000 0.429 51 K N 0.488 120.915 120.400 0.045 0.000 2.559 51 K HA 0.181 4.501 4.320 -0.000 0.000 0.236 51 K C 0.088 176.712 176.600 0.040 0.000 1.185 51 K CA -0.064 56.251 56.287 0.047 0.000 1.157 51 K CB 0.195 32.712 32.500 0.029 0.000 1.782 51 K HN 0.673 nan 8.250 nan 0.000 0.419 52 T N -3.102 111.485 114.554 0.055 0.000 3.182 52 T HA 0.112 4.462 4.350 -0.000 0.000 0.277 52 T C 1.336 176.069 174.700 0.056 0.000 1.013 52 T CA -0.478 61.650 62.100 0.047 0.000 0.900 52 T CB 0.182 69.076 68.868 0.044 0.000 1.098 52 T HN 0.236 nan 8.240 nan 0.000 0.543 53 R N 1.422 121.955 120.500 0.054 0.000 2.100 53 R HA 0.108 4.448 4.340 -0.000 0.000 0.220 53 R C 1.219 177.528 176.300 0.015 0.000 1.091 53 R CA 1.338 57.462 56.100 0.039 0.000 0.986 53 R CB 0.120 30.444 30.300 0.041 0.000 0.888 53 R HN 0.363 nan 8.270 nan 0.000 0.444 54 S N -0.518 115.196 115.700 0.022 0.000 2.733 54 S HA 0.106 4.576 4.470 -0.000 0.000 0.247 54 S C 0.723 175.331 174.600 0.013 0.000 1.043 54 S CA -0.241 57.970 58.200 0.018 0.000 1.066 54 S CB 0.123 63.343 63.200 0.034 0.000 1.045 54 S HN 0.532 nan 8.310 nan 0.000 0.586 55 C N 2.119 121.427 119.300 0.012 0.000 2.705 55 C HA 0.525 4.985 4.460 -0.000 0.000 0.348 55 C C -2.541 172.449 174.990 0.000 0.000 1.386 55 C CA -1.833 57.188 59.018 0.006 0.000 2.361 55 C CB -0.902 26.841 27.740 0.005 0.000 2.486 55 C HN 0.132 nan 8.230 nan 0.000 0.728 56 P HA 0.226 nan 4.420 nan 0.000 0.268 56 P C 0.520 177.813 177.300 -0.011 0.000 1.208 56 P CA 0.709 63.805 63.100 -0.007 0.000 0.777 56 P CB 0.314 32.011 31.700 -0.006 0.000 0.875 57 A N 2.091 124.902 122.820 -0.015 0.000 1.940 57 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 57 A C 2.196 179.767 177.584 -0.023 0.000 1.176 57 A CA 1.862 53.886 52.037 -0.021 0.000 0.631 57 A CB -1.142 17.845 19.000 -0.022 0.000 0.814 57 A HN 0.555 nan 8.150 nan 0.000 0.446 58 Q N -0.289 119.500 119.800 -0.018 0.000 2.079 58 Q HA -0.147 4.193 4.340 -0.000 0.000 0.200 58 Q C 1.988 177.976 176.000 -0.020 0.000 0.974 58 Q CA 1.955 57.746 55.803 -0.019 0.000 0.840 58 Q CB -0.267 28.463 28.738 -0.014 0.000 0.898 58 Q HN 0.766 nan 8.270 nan 0.000 0.430 59 E N -0.974 119.217 120.200 -0.016 0.000 2.118 59 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 59 E C 1.664 178.252 176.600 -0.021 0.000 0.992 59 E CA 1.019 57.410 56.400 -0.016 0.000 0.804 59 E CB -0.157 29.537 29.700 -0.011 0.000 0.741 59 E HN 0.453 nan 8.360 nan 0.000 0.458 60 A N 0.827 123.634 122.820 -0.022 0.000 1.898 60 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 60 A C 2.118 179.668 177.584 -0.058 0.000 1.181 60 A CA 1.086 53.105 52.037 -0.029 0.000 0.620 60 A CB -0.506 18.483 19.000 -0.020 0.000 0.819 60 A HN 0.290 nan 8.150 nan 0.000 0.442 61 I N -0.374 120.161 120.570 -0.058 0.000 2.142 61 I HA -0.304 3.866 4.170 -0.000 0.000 0.240 61 I C 2.511 178.592 176.117 -0.059 0.000 1.078 61 I CA 1.749 63.006 61.300 -0.072 0.000 1.343 61 I CB -0.327 37.640 38.000 -0.054 0.000 1.046 61 I HN 0.291 nan 8.210 nan 0.000 0.405 62 K N 0.317 120.693 120.400 -0.039 0.000 2.020 62 K HA -0.258 4.062 4.320 -0.000 0.000 0.212 62 K C 2.197 178.778 176.600 -0.030 0.000 1.050 62 K CA 1.551 57.821 56.287 -0.029 0.000 0.929 62 K CB -0.276 32.211 32.500 -0.021 0.000 0.714 62 K HN 0.350 nan 8.250 nan 0.000 0.443 63 Q N 0.270 120.051 119.800 -0.032 0.000 2.135 63 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 63 Q C 2.225 178.202 176.000 -0.039 0.000 0.981 63 Q CA 1.544 57.329 55.803 -0.031 0.000 0.856 63 Q CB -0.048 28.675 28.738 -0.026 0.000 0.902 63 Q HN 0.271 nan 8.270 nan 0.000 0.425 64 S N 0.753 116.414 115.700 -0.064 0.000 2.414 64 S HA 0.025 4.495 4.470 -0.000 0.000 0.227 64 S C 2.058 176.617 174.600 -0.069 0.000 1.022 64 S CA 0.340 58.485 58.200 -0.093 0.000 0.958 64 S CB -0.030 63.054 63.200 -0.193 0.000 0.797 64 S HN 0.247 nan 8.310 nan 0.000 0.493 65 L N 1.236 122.425 121.223 -0.057 0.000 2.093 65 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 65 L C 2.771 179.642 176.870 0.002 0.000 1.085 65 L CA 1.139 55.961 54.840 -0.031 0.000 0.755 65 L CB -0.609 41.432 42.059 -0.029 0.000 0.904 65 L HN 0.339 nan 8.230 nan 0.000 0.435 66 A N -0.070 122.752 122.820 0.004 0.000 1.902 66 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 66 A C 2.524 180.145 177.584 0.061 0.000 1.181 66 A CA 1.655 53.709 52.037 0.029 0.000 0.623 66 A CB -0.677 18.329 19.000 0.011 0.000 0.818 66 A HN 0.404 nan 8.150 nan 0.000 0.443 67 A N -0.375 122.464 122.820 0.032 0.000 1.883 67 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 67 A C 2.149 179.812 177.584 0.131 0.000 1.186 67 A CA 1.805 53.875 52.037 0.054 0.000 0.624 67 A CB -0.697 18.307 19.000 0.007 0.000 0.822 67 A HN 0.747 nan 8.150 nan 0.000 0.444 68 L N -0.237 121.032 121.223 0.076 0.000 2.042 68 L HA -0.115 4.225 4.340 -0.000 0.000 0.210 68 L C 2.370 179.296 176.870 0.093 0.000 1.076 68 L CA 1.894 56.779 54.840 0.075 0.000 0.749 68 L CB -0.468 41.605 42.059 0.023 0.000 0.893 68 L HN 0.143 nan 8.230 nan 0.000 0.432 69 V N -1.406 118.563 119.914 0.092 0.000 2.358 69 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 69 V C 2.123 178.281 176.094 0.106 0.000 1.047 69 V CA 1.948 64.294 62.300 0.076 0.000 1.035 69 V CB -0.733 31.128 31.823 0.064 0.000 0.658 69 V HN 0.775 nan 8.190 nan 0.000 0.452 70 W N -0.000 121.291 121.300 -0.014 0.000 2.354 70 W HA -0.215 4.445 4.660 0.000 0.000 0.315 70 W C 2.107 178.619 176.519 -0.013 0.000 1.206 70 W CA 1.445 58.782 57.345 -0.013 0.000 1.290 70 W CB -0.353 29.098 29.460 -0.014 0.000 1.152 70 W HN 0.133 nan 8.180 nan 0.000 0.489 71 L N 1.369 122.769 121.223 0.294 0.000 2.043 71 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 71 L C 2.420 179.242 176.870 -0.079 0.000 1.075 71 L CA 1.930 56.838 54.840 0.112 0.000 0.752 71 L CB -1.387 40.789 42.059 0.195 0.000 0.891 71 L HN -0.037 nan 8.230 nan 0.000 0.432 72 K N -0.562 119.813 120.400 -0.042 0.000 2.062 72 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 72 K C 2.039 178.566 176.600 -0.120 0.000 1.051 72 K CA 0.827 57.076 56.287 -0.064 0.000 0.941 72 K CB -0.267 32.218 32.500 -0.025 0.000 0.719 72 K HN 0.320 nan 8.250 nan 0.000 0.440 73 K N 1.234 121.541 120.400 -0.156 0.000 2.020 73 K HA -0.196 4.123 4.320 -0.000 0.000 0.212 73 K C 1.736 178.170 176.600 -0.276 0.000 1.050 73 K CA 1.512 57.680 56.287 -0.199 0.000 0.929 73 K CB 0.097 32.462 32.500 -0.225 0.000 0.714 73 K HN 0.012 nan 8.250 nan 0.000 0.443 74 Q N -0.239 119.290 119.800 -0.452 0.000 2.561 74 Q HA 0.017 4.357 4.340 -0.000 0.000 0.217 74 Q C 0.408 176.255 176.000 -0.256 0.000 0.980 74 Q CA 1.036 56.570 55.803 -0.448 0.000 0.927 74 Q CB -0.328 27.970 28.738 -0.734 0.000 0.980 74 Q HN 0.573 nan 8.270 nan 0.000 0.525 75 G N 0.843 109.531 108.800 -0.186 0.000 3.445 75 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.634 75 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.634 75 G C -0.643 174.197 174.900 -0.101 0.000 0.909 75 G CA -0.186 44.843 45.100 -0.117 0.000 0.740 75 G HN 0.378 nan 8.290 nan 0.000 0.441 76 C N 4.243 123.501 119.300 -0.069 0.000 2.705 76 C HA 0.636 5.096 4.460 -0.000 0.000 0.369 76 C C 1.300 176.273 174.990 -0.028 0.000 1.069 76 C CA -0.352 58.636 59.018 -0.049 0.000 1.260 76 C CB 1.090 28.813 27.740 -0.028 0.000 1.764 76 C HN 0.948 nan 8.230 nan 0.000 0.469 77 Q N 1.405 121.180 119.800 -0.042 0.000 2.123 77 Q HA -0.029 4.311 4.340 -0.000 0.000 0.199 77 Q C 0.607 176.621 176.000 0.024 0.000 0.966 77 Q CA 1.272 57.061 55.803 -0.022 0.000 0.845 77 Q CB 0.254 28.953 28.738 -0.066 0.000 0.907 77 Q HN 0.798 nan 8.270 nan 0.000 0.439 78 Q N 0.004 119.825 119.800 0.035 0.000 2.289 78 Q HA 0.416 4.756 4.340 -0.000 0.000 0.270 78 Q C -1.829 174.232 176.000 0.102 0.000 1.038 78 Q CA -0.524 55.330 55.803 0.086 0.000 0.812 78 Q CB 2.160 30.975 28.738 0.129 0.000 1.300 78 Q HN -0.050 nan 8.270 nan 0.000 0.427 79 V N 3.777 123.757 119.914 0.110 0.000 2.427 79 V HA 0.366 4.486 4.120 -0.000 0.000 0.286 79 V C -1.120 175.075 176.094 0.167 0.000 1.034 79 V CA -0.569 61.809 62.300 0.130 0.000 0.893 79 V CB 1.257 33.136 31.823 0.092 0.000 0.982 79 V HN 0.742 nan 8.190 nan 0.000 0.452 80 Y N 5.178 125.528 120.300 0.083 0.000 2.345 80 Y HA 0.529 5.079 4.550 -0.000 0.000 0.331 80 Y C -0.692 175.290 175.900 0.138 0.000 0.959 80 Y CA -0.938 57.209 58.100 0.079 0.000 1.204 80 Y CB 1.307 39.788 38.460 0.035 0.000 1.135 80 Y HN 0.620 nan 8.280 nan 0.000 0.477 81 F N 7.402 127.252 119.950 -0.168 0.000 2.421 81 F HA 0.408 4.935 4.527 -0.000 0.000 0.358 81 F C -0.772 174.929 175.800 -0.164 0.000 1.115 81 F CA -1.155 56.801 58.000 -0.073 0.000 1.160 81 F CB 0.484 39.459 39.000 -0.042 0.000 1.123 81 F HN 0.429 nan 8.300 nan 0.000 0.508 82 K N 7.653 128.054 120.400 0.001 0.000 2.240 82 K HA 0.428 4.748 4.320 -0.000 0.000 0.271 82 K C -1.688 174.651 176.600 -0.434 0.000 1.018 82 K CA -0.264 55.901 56.287 -0.204 0.000 0.874 82 K CB 0.360 32.891 32.500 0.051 0.000 1.098 82 K HN 0.552 nan 8.250 nan 0.000 0.458 83 Y N 0.490 120.555 120.300 -0.391 0.000 2.833 83 Y HA 0.588 5.138 4.550 -0.000 0.000 0.319 83 Y C -0.197 175.596 175.900 -0.179 0.000 1.254 83 Y CA -1.914 55.971 58.100 -0.358 0.000 1.138 83 Y CB 0.011 38.114 38.460 -0.594 0.000 1.352 83 Y HN 0.459 nan 8.280 nan 0.000 0.546 84 C N 1.040 120.415 119.300 0.125 0.000 2.601 84 C HA 0.284 4.744 4.460 -0.000 0.000 0.409 84 C C 1.816 176.905 174.990 0.165 0.000 1.293 84 C CA 0.355 59.428 59.018 0.091 0.000 2.101 84 C CB 0.061 27.824 27.740 0.038 0.000 2.639 84 C HN 0.945 nan 8.230 nan 0.000 0.592 85 S N 1.445 117.216 115.700 0.119 0.000 2.447 85 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 85 S C 1.678 176.371 174.600 0.156 0.000 1.006 85 S CA 1.806 60.090 58.200 0.140 0.000 0.957 85 S CB -0.197 63.060 63.200 0.094 0.000 0.773 85 S HN 1.002 nan 8.310 nan 0.000 0.507 86 T N -1.738 112.887 114.554 0.118 0.000 3.272 86 T HA 0.214 4.564 4.350 -0.000 0.000 0.250 86 T C 0.600 175.391 174.700 0.151 0.000 1.082 86 T CA -0.346 61.814 62.100 0.101 0.000 0.968 86 T CB -0.799 68.093 68.868 0.041 0.000 1.015 86 T HN 0.202 nan 8.240 nan 0.000 0.563 87 F N 1.918 121.842 119.950 -0.044 0.000 3.084 87 F HA -0.192 4.335 4.527 -0.000 0.000 0.286 87 F C -0.662 175.037 175.800 -0.168 0.000 0.855 87 F CA -0.194 57.721 58.000 -0.141 0.000 1.091 87 F CB -2.197 36.704 39.000 -0.166 0.000 1.177 87 F HN 0.272 nan 8.300 nan 0.000 0.542 88 D N 1.418 121.735 120.400 -0.139 0.000 2.479 88 D HA 0.393 5.033 4.640 -0.000 0.000 0.257 88 D C 0.453 176.621 176.300 -0.219 0.000 1.230 88 D CA 1.319 55.212 54.000 -0.180 0.000 0.912 88 D CB 0.455 41.138 40.800 -0.196 0.000 1.130 88 D HN 0.485 nan 8.370 nan 0.000 0.515 89 S N 0.331 115.931 115.700 -0.167 0.000 2.669 89 S HA 0.737 5.207 4.470 -0.000 0.000 0.266 89 S C -0.530 174.024 174.600 -0.078 0.000 1.149 89 S CA -0.948 57.158 58.200 -0.157 0.000 0.842 89 S CB 1.680 64.715 63.200 -0.275 0.000 1.160 89 S HN 0.478 nan 8.310 nan 0.000 0.487 90 T N -3.009 111.510 114.554 -0.060 0.000 2.804 90 T HA 0.786 5.136 4.350 -0.000 0.000 0.290 90 T C 1.310 175.994 174.700 -0.026 0.000 1.099 90 T CA -0.255 61.828 62.100 -0.028 0.000 1.011 90 T CB 0.989 69.847 68.868 -0.015 0.000 1.291 90 T HN 1.721 nan 8.240 nan 0.000 0.523 91 A N 0.174 122.986 122.820 -0.013 0.000 2.084 91 A HA -0.074 4.246 4.320 -0.000 0.000 0.221 91 A C 1.870 179.443 177.584 -0.018 0.000 1.161 91 A CA 1.715 53.745 52.037 -0.012 0.000 0.653 91 A CB -0.868 18.129 19.000 -0.005 0.000 0.802 91 A HN 0.863 nan 8.150 nan 0.000 0.457 92 E N -1.347 118.841 120.200 -0.020 0.000 2.452 92 E HA 0.359 4.709 4.350 -0.000 0.000 0.197 92 E C 0.941 177.523 176.600 -0.030 0.000 1.022 92 E CA 0.507 56.895 56.400 -0.020 0.000 0.890 92 E CB 0.285 29.977 29.700 -0.014 0.000 0.918 92 E HN 0.623 nan 8.360 nan 0.000 0.496 93 G N 0.986 109.758 108.800 -0.046 0.000 2.369 93 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.293 93 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.293 93 G C -0.745 174.103 174.900 -0.086 0.000 1.301 93 G CA -0.718 44.344 45.100 -0.063 0.000 0.913 93 G HN -0.053 nan 8.290 nan 0.000 0.540 94 N N -0.520 118.124 118.700 -0.094 0.000 2.177 94 N HA 0.201 4.941 4.740 -0.000 0.000 0.218 94 N C 2.050 177.541 175.510 -0.031 0.000 1.182 94 N CA -0.051 52.969 53.050 -0.051 0.000 0.882 94 N CB 0.571 39.052 38.487 -0.010 0.000 1.052 94 N HN 0.475 nan 8.380 nan 0.000 0.519 95 I N 0.321 120.798 120.570 -0.156 0.000 2.226 95 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 95 I C 2.375 178.455 176.117 -0.062 0.000 1.100 95 I CA 1.441 62.639 61.300 -0.169 0.000 1.374 95 I CB -0.322 37.167 38.000 -0.852 0.000 1.057 95 I HN 0.125 nan 8.210 nan 0.000 0.413 96 G N 1.335 110.052 108.800 -0.139 0.000 2.414 96 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.215 96 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.215 96 G C -0.623 174.243 174.900 -0.057 0.000 1.188 96 G CA 0.618 45.644 45.100 -0.123 0.000 0.783 96 G HN 0.292 nan 8.290 nan 0.000 0.537 97 P HA -0.039 nan 4.420 nan 0.000 0.215 97 P C 2.112 179.374 177.300 -0.063 0.000 1.153 97 P CA 0.734 63.811 63.100 -0.039 0.000 0.853 97 P CB -0.066 31.610 31.700 -0.038 0.000 0.788 98 V N -0.630 119.228 119.914 -0.094 0.000 2.358 98 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 98 V C 2.322 178.269 176.094 -0.245 0.000 1.047 98 V CA 2.456 64.614 62.300 -0.236 0.000 1.035 98 V CB -1.753 29.808 31.823 -0.436 0.000 0.658 98 V HN 0.180 nan 8.190 nan 0.000 0.452 99 T N -0.278 114.232 114.554 -0.072 0.000 2.684 99 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 99 T C 1.664 176.387 174.700 0.038 0.000 1.036 99 T CA 1.785 63.908 62.100 0.039 0.000 1.148 99 T CB -0.385 68.554 68.868 0.119 0.000 0.863 99 T HN 0.476 nan 8.240 nan 0.000 0.436 100 D N 1.103 121.530 120.400 0.044 0.000 2.144 100 D HA -0.001 4.639 4.640 -0.000 0.000 0.199 100 D C 2.343 178.657 176.300 0.024 0.000 0.984 100 D CA 1.154 55.201 54.000 0.078 0.000 0.834 100 D CB -0.340 40.509 40.800 0.082 0.000 0.955 100 D HN 0.417 nan 8.370 nan 0.000 0.465 101 A N 0.805 123.612 122.820 -0.022 0.000 1.898 101 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 101 A C 2.419 179.980 177.584 -0.038 0.000 1.181 101 A CA 0.750 52.766 52.037 -0.035 0.000 0.620 101 A CB -0.729 18.233 19.000 -0.062 0.000 0.819 101 A HN 0.175 nan 8.150 nan 0.000 0.442 102 L N -1.101 120.083 121.223 -0.066 0.000 2.046 102 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 102 L C 2.876 179.744 176.870 -0.003 0.000 1.077 102 L CA 1.613 56.422 54.840 -0.052 0.000 0.747 102 L CB -0.597 41.409 42.059 -0.088 0.000 0.896 102 L HN 0.414 nan 8.230 nan 0.000 0.432 103 M N -0.896 118.716 119.600 0.021 0.000 2.080 103 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 103 M C 2.334 178.651 176.300 0.029 0.000 1.068 103 M CA 1.539 56.864 55.300 0.042 0.000 1.109 103 M CB -0.477 32.164 32.600 0.069 0.000 1.342 103 M HN 0.070 nan 8.290 nan 0.000 0.405 104 V N 0.354 120.281 119.914 0.021 0.000 2.295 104 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 104 V C 2.625 178.725 176.094 0.010 0.000 1.049 104 V CA 2.029 64.338 62.300 0.015 0.000 1.024 104 V CB -1.181 30.648 31.823 0.010 0.000 0.648 104 V HN 0.536 nan 8.190 nan 0.000 0.447 105 A N -0.584 122.238 122.820 0.004 0.000 1.978 105 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 105 A C 2.044 179.633 177.584 0.008 0.000 1.170 105 A CA 1.634 53.672 52.037 0.002 0.000 0.636 105 A CB -0.439 18.558 19.000 -0.006 0.000 0.810 105 A HN 0.544 nan 8.150 nan 0.000 0.448 106 L N -1.336 119.895 121.223 0.014 0.000 2.607 106 L HA 0.100 4.440 4.340 -0.000 0.000 0.228 106 L C 0.407 177.292 176.870 0.025 0.000 1.123 106 L CA 0.229 55.082 54.840 0.021 0.000 0.890 106 L CB 0.041 42.117 42.059 0.028 0.000 1.103 106 L HN 0.320 nan 8.230 nan 0.000 0.468 107 D N 1.100 121.514 120.400 0.023 0.000 2.870 107 D HA -0.140 4.500 4.640 -0.000 0.000 0.228 107 D C 0.104 176.425 176.300 0.035 0.000 1.147 107 D CA 1.016 55.031 54.000 0.025 0.000 0.757 107 D CB -0.692 40.120 40.800 0.020 0.000 1.091 107 D HN 0.331 nan 8.370 nan 0.000 0.429 108 T N -1.629 112.951 114.554 0.044 0.000 2.927 108 T HA 0.590 4.940 4.350 -0.000 0.000 0.281 108 T C 1.303 176.040 174.700 0.062 0.000 0.998 108 T CA -0.087 62.050 62.100 0.062 0.000 1.019 108 T CB 1.747 70.663 68.868 0.079 0.000 1.061 108 T HN 0.043 nan 8.240 nan 0.000 0.518 109 S N -0.557 115.194 115.700 0.086 0.000 2.730 109 S HA 0.420 4.890 4.470 -0.000 0.000 0.244 109 S C -0.479 174.214 174.600 0.155 0.000 1.022 109 S CA -0.615 57.633 58.200 0.080 0.000 1.014 109 S CB -0.291 62.946 63.200 0.062 0.000 0.963 109 S HN 0.603 nan 8.310 nan 0.000 0.540 110 F N 1.866 121.806 119.950 -0.016 0.000 2.623 110 F HA 0.550 5.077 4.527 0.000 0.000 0.323 110 F C -1.058 174.766 175.800 0.041 0.000 1.158 110 F CA 0.007 58.000 58.000 -0.012 0.000 1.030 110 F CB 1.440 40.436 39.000 -0.007 0.000 1.280 110 F HN 0.046 nan 8.300 nan 0.000 0.474 111 T N 3.938 118.225 114.554 -0.445 0.000 2.838 111 T HA 0.733 5.083 4.350 -0.000 0.000 0.292 111 T C -0.799 173.677 174.700 -0.374 0.000 1.113 111 T CA -0.754 61.213 62.100 -0.221 0.000 1.008 111 T CB 1.667 70.524 68.868 -0.019 0.000 1.259 111 T HN 0.641 nan 8.240 nan 0.000 0.520 112 V N -1.304 118.521 119.914 -0.148 0.000 2.850 112 V HA 0.806 4.926 4.120 -0.000 0.000 0.315 112 V C -0.907 175.162 176.094 -0.041 0.000 1.064 112 V CA -1.087 61.151 62.300 -0.104 0.000 0.979 112 V CB 1.240 33.046 31.823 -0.027 0.000 1.039 112 V HN 0.881 nan 8.190 nan 0.000 0.452 113 I N 2.613 123.175 120.570 -0.015 0.000 2.439 113 I HA 0.450 4.620 4.170 -0.000 0.000 0.283 113 I C -0.204 175.941 176.117 0.046 0.000 1.023 113 I CA -0.040 61.298 61.300 0.064 0.000 1.100 113 I CB 1.804 39.832 38.000 0.047 0.000 1.238 113 I HN 0.763 nan 8.210 nan 0.000 0.445 114 S N 8.015 123.749 115.700 0.056 0.000 2.158 114 S HA 0.414 4.884 4.470 -0.000 0.000 0.160 114 S C -1.886 172.750 174.600 0.059 0.000 1.693 114 S CA -1.149 57.074 58.200 0.038 0.000 1.251 114 S CB 0.651 63.861 63.200 0.016 0.000 1.153 114 S HN 0.401 nan 8.310 nan 0.000 0.439 115 P HA 0.186 nan 4.420 nan 0.000 0.240 115 P C 0.463 177.816 177.300 0.089 0.000 1.190 115 P CA 0.152 63.350 63.100 0.164 0.000 0.781 115 P CB -0.100 31.785 31.700 0.308 0.000 0.931 116 A N 0.887 123.749 122.820 0.070 0.000 2.540 116 A HA 0.182 4.502 4.320 -0.000 0.000 0.239 116 A C -0.022 177.575 177.584 0.021 0.000 1.061 116 A CA 0.350 52.425 52.037 0.064 0.000 0.758 116 A CB -0.547 18.498 19.000 0.076 0.000 0.991 116 A HN 0.200 nan 8.150 nan 0.000 0.502 117 L N 5.375 126.615 121.223 0.028 0.000 2.470 117 L HA 0.431 4.771 4.340 -0.000 0.000 0.253 117 L C -2.115 174.780 176.870 0.041 0.000 1.163 117 L CA -1.721 53.113 54.840 -0.009 0.000 0.932 117 L CB 1.409 43.452 42.059 -0.026 0.000 1.213 117 L HN 0.371 nan 8.230 nan 0.000 0.485 118 P HA -0.167 nan 4.420 nan 0.000 0.215 118 P C 1.796 179.133 177.300 0.062 0.000 1.153 118 P CA 1.107 64.241 63.100 0.056 0.000 0.853 118 P CB 0.319 32.048 31.700 0.049 0.000 0.788 119 V N -0.114 119.844 119.914 0.074 0.000 2.660 119 V HA -0.226 3.894 4.120 -0.000 0.000 0.257 119 V C 0.873 177.036 176.094 0.115 0.000 1.088 119 V CA 2.128 64.488 62.300 0.099 0.000 1.106 119 V CB -1.193 30.716 31.823 0.144 0.000 0.686 119 V HN 0.194 nan 8.190 nan 0.000 0.481 120 N N -0.467 118.306 118.700 0.122 0.000 2.275 120 N HA 0.398 5.138 4.740 -0.000 0.000 0.236 120 N C 0.845 176.411 175.510 0.093 0.000 1.154 120 N CA 0.467 53.592 53.050 0.125 0.000 0.866 120 N CB 0.954 39.546 38.487 0.175 0.000 1.093 120 N HN 0.517 nan 8.380 nan 0.000 0.515 121 G N 1.888 110.736 108.800 0.080 0.000 2.137 121 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.237 121 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.237 121 G C -0.484 174.474 174.900 0.097 0.000 1.002 121 G CA -0.378 44.766 45.100 0.074 0.000 0.702 121 G HN 0.198 nan 8.290 nan 0.000 0.515 122 R N 0.798 121.358 120.500 0.100 0.000 2.343 122 R HA 0.749 5.089 4.340 -0.000 0.000 0.320 122 R C 0.148 176.523 176.300 0.125 0.000 0.956 122 R CA -0.034 56.139 56.100 0.122 0.000 0.836 122 R CB 0.734 31.101 30.300 0.110 0.000 1.151 122 R HN 0.678 nan 8.270 nan 0.000 0.450 123 T N -2.167 112.492 114.554 0.175 0.000 2.896 123 T HA 0.703 5.053 4.350 -0.000 0.000 0.297 123 T C -0.600 174.264 174.700 0.273 0.000 1.108 123 T CA -0.815 61.388 62.100 0.172 0.000 1.004 123 T CB 1.934 70.861 68.868 0.099 0.000 1.159 123 T HN 0.164 nan 8.240 nan 0.000 0.499 124 V N 2.088 122.147 119.914 0.241 0.000 2.577 124 V HA 0.582 4.702 4.120 -0.000 0.000 0.303 124 V C -1.596 174.686 176.094 0.314 0.000 1.042 124 V CA -0.908 61.559 62.300 0.280 0.000 0.872 124 V CB 1.487 33.386 31.823 0.126 0.000 0.998 124 V HN 0.997 nan 8.190 nan 0.000 0.423 125 Y N 3.776 124.246 120.300 0.284 0.000 2.373 125 Y HA 0.412 4.962 4.550 -0.000 0.000 0.336 125 Y C 0.592 176.684 175.900 0.320 0.000 0.979 125 Y CA -0.552 57.671 58.100 0.205 0.000 1.080 125 Y CB 1.755 40.277 38.460 0.102 0.000 1.190 125 Y HN 0.699 nan 8.280 nan 0.000 0.446 126 Q N 3.898 123.473 119.800 -0.375 0.000 2.461 126 Q HA -0.256 4.084 4.340 -0.000 0.000 0.264 126 Q C 1.065 177.145 176.000 0.133 0.000 1.085 126 Q CA 1.694 57.409 55.803 -0.147 0.000 1.006 126 Q CB -1.863 26.801 28.738 -0.122 0.000 1.437 126 Q HN 1.523 nan 8.270 nan 0.000 0.514 127 G N -1.852 106.980 108.800 0.053 0.000 2.176 127 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.253 127 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.253 127 G C -0.174 174.659 174.900 -0.112 0.000 0.979 127 G CA 0.357 45.395 45.100 -0.104 0.000 0.641 127 G HN 0.361 nan 8.290 nan 0.000 0.530 128 Y N -0.705 119.678 120.300 0.138 0.000 2.310 128 Y HA 0.648 5.198 4.550 -0.000 0.000 0.326 128 Y C 0.457 176.370 175.900 0.020 0.000 1.151 128 Y CA -1.103 57.047 58.100 0.083 0.000 1.195 128 Y CB 1.537 40.040 38.460 0.072 0.000 1.210 128 Y HN 0.185 nan 8.280 nan 0.000 0.483 129 L N 4.111 125.331 121.223 -0.005 0.000 2.295 129 L HA 0.552 4.892 4.340 -0.000 0.000 0.285 129 L C -1.669 175.113 176.870 -0.146 0.000 1.035 129 L CA -0.733 54.109 54.840 0.004 0.000 0.806 129 L CB -0.029 41.998 42.059 -0.054 0.000 1.214 129 L HN 0.410 nan 8.230 nan 0.000 0.426 130 F N 4.150 124.159 119.950 0.099 0.000 2.495 130 F HA 0.597 5.124 4.527 -0.000 0.000 0.327 130 F C -0.142 175.703 175.800 0.075 0.000 1.103 130 F CA -0.709 57.344 58.000 0.090 0.000 0.949 130 F CB 2.144 41.190 39.000 0.076 0.000 1.142 130 F HN 0.090 nan 8.300 nan 0.000 0.457 131 V N 5.888 125.939 119.914 0.230 0.000 2.304 131 V HA 0.269 4.389 4.120 -0.000 0.000 0.278 131 V C 0.479 176.677 176.094 0.173 0.000 1.018 131 V CA -0.862 61.540 62.300 0.170 0.000 0.814 131 V CB 0.481 32.378 31.823 0.124 0.000 1.021 131 V HN 0.914 nan 8.190 nan 0.000 0.440 132 M N 2.498 122.181 119.600 0.138 0.000 7.319 132 M HA -0.273 4.207 4.480 -0.000 0.000 0.298 132 M C 1.097 177.434 176.300 0.062 0.000 0.480 132 M CA 2.318 57.669 55.300 0.085 0.000 1.311 132 M CB -1.433 31.211 32.600 0.072 0.000 0.421 132 M HN 0.880 nan 8.290 nan 0.000 0.605 133 N N 2.331 121.010 118.700 -0.034 0.000 2.251 133 N HA 0.128 4.868 4.740 -0.000 0.000 0.217 133 N C -0.357 174.945 175.510 -0.348 0.000 1.124 133 N CA 0.314 53.252 53.050 -0.186 0.000 0.843 133 N CB 0.054 38.378 38.487 -0.273 0.000 1.024 133 N HN 0.625 nan 8.380 nan 0.000 0.501 134 H N 0.173 119.365 119.070 0.203 0.000 2.768 134 H HA 0.341 4.897 4.556 -0.000 0.000 0.371 134 H C 0.053 175.457 175.328 0.126 0.000 1.151 134 H CA -0.828 55.320 56.048 0.167 0.000 1.165 134 H CB 2.165 31.974 29.762 0.078 0.000 1.722 134 H HN -0.093 nan 8.280 nan 0.000 0.543 135 L N 2.758 124.013 121.223 0.054 0.000 2.543 135 L HA -0.145 4.195 4.340 -0.000 0.000 0.285 135 L C 2.282 179.099 176.870 -0.089 0.000 1.236 135 L CA 0.144 54.809 54.840 -0.291 0.000 0.871 135 L CB 0.575 42.489 42.059 -0.242 0.000 1.121 135 L HN 0.498 nan 8.230 nan 0.000 0.501 136 L N 3.138 124.286 121.223 -0.126 0.000 2.054 136 L HA -0.322 4.017 4.340 -0.000 0.000 0.220 136 L C 2.323 179.170 176.870 -0.038 0.000 1.081 136 L CA 2.458 57.272 54.840 -0.042 0.000 0.780 136 L CB -0.291 41.736 42.059 -0.053 0.000 0.893 136 L HN 0.935 nan 8.230 nan 0.000 0.438 137 A N -1.071 121.717 122.820 -0.055 0.000 2.121 137 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 137 A C 1.774 179.317 177.584 -0.069 0.000 1.154 137 A CA 1.249 53.251 52.037 -0.059 0.000 0.679 137 A CB -0.325 18.649 19.000 -0.043 0.000 0.795 137 A HN 0.667 nan 8.150 nan 0.000 0.458 138 E N 0.238 120.410 120.200 -0.047 0.000 2.476 138 E HA 0.077 4.427 4.350 -0.000 0.000 0.196 138 E C 0.508 177.047 176.600 -0.102 0.000 1.029 138 E CA 0.227 56.588 56.400 -0.066 0.000 0.896 138 E CB 0.331 30.020 29.700 -0.018 0.000 1.012 138 E HN 0.693 nan 8.360 nan 0.000 0.475 139 S N -1.356 114.322 115.700 -0.036 0.000 2.719 139 S HA 0.352 4.822 4.470 -0.000 0.000 0.285 139 S C 1.541 176.136 174.600 -0.008 0.000 1.137 139 S CA -0.294 57.903 58.200 -0.004 0.000 1.012 139 S CB 1.085 64.327 63.200 0.069 0.000 1.134 139 S HN 0.070 nan 8.310 nan 0.000 0.544 140 G N 0.260 109.085 108.800 0.042 0.000 2.450 140 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.220 140 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.220 140 G C 1.218 176.165 174.900 0.079 0.000 1.130 140 G CA 0.764 45.914 45.100 0.084 0.000 0.760 140 G HN 0.529 nan 8.290 nan 0.000 0.557 141 M N 0.105 119.737 119.600 0.055 0.000 2.426 141 M HA -0.034 4.446 4.480 -0.000 0.000 0.261 141 M C 2.242 178.538 176.300 -0.007 0.000 1.068 141 M CA 0.686 56.016 55.300 0.049 0.000 1.066 141 M CB -0.840 31.767 32.600 0.011 0.000 1.399 141 M HN 0.311 nan 8.290 nan 0.000 0.449 142 R N -0.506 119.923 120.500 -0.118 0.000 2.148 142 R HA -0.130 4.210 4.340 -0.000 0.000 0.227 142 R C 0.691 176.745 176.300 -0.410 0.000 1.103 142 R CA 1.010 56.928 56.100 -0.303 0.000 0.983 142 R CB 0.111 30.111 30.300 -0.499 0.000 0.874 142 R HN 0.459 nan 8.270 nan 0.000 0.451 143 H N -1.455 117.648 119.070 0.055 0.000 2.475 143 H HA 0.080 4.636 4.556 -0.000 0.000 0.276 143 H C -0.487 174.876 175.328 0.057 0.000 1.126 143 H CA -0.350 55.723 56.048 0.041 0.000 1.023 143 H CB -0.199 29.572 29.762 0.014 0.000 1.669 143 H HN 0.189 nan 8.280 nan 0.000 0.573 144 H N 3.708 122.810 119.070 0.053 0.000 2.964 144 H HA -0.012 4.544 4.556 -0.000 0.000 0.328 144 H C -1.418 173.935 175.328 0.042 0.000 1.030 144 H CA -1.075 54.998 56.048 0.043 0.000 1.445 144 H CB 1.711 31.485 29.762 0.020 0.000 1.449 144 H HN 0.137 nan 8.280 nan 0.000 0.581 145 P HA -0.105 nan 4.420 nan 0.000 0.217 145 P C 1.377 178.678 177.300 0.002 0.000 1.151 145 P CA 0.978 64.013 63.100 -0.108 0.000 0.828 145 P CB 0.512 32.114 31.700 -0.164 0.000 0.788 146 I N 0.135 120.753 120.570 0.080 0.000 2.385 146 I HA -0.090 4.080 4.170 -0.000 0.000 0.244 146 I C 0.452 176.702 176.117 0.222 0.000 1.089 146 I CA 1.037 62.447 61.300 0.185 0.000 1.410 146 I CB -0.766 37.358 38.000 0.207 0.000 1.117 146 I HN 0.001 nan 8.210 nan 0.000 0.429 147 N N 0.424 119.345 118.700 0.369 0.000 2.790 147 N HA 0.287 5.027 4.740 -0.000 0.000 0.256 147 N C -2.869 172.676 175.510 0.058 0.000 1.409 147 N CA -1.740 51.367 53.050 0.095 0.000 0.799 147 N CB 0.204 38.668 38.487 -0.038 0.000 1.170 147 N HN -0.035 nan 8.380 nan 0.000 0.507 148 P HA 0.144 nan 4.420 nan 0.000 0.276 148 P C -0.614 176.687 177.300 0.001 0.000 1.235 148 P CA -0.025 63.115 63.100 0.066 0.000 0.772 148 P CB 0.894 32.626 31.700 0.054 0.000 0.871 149 M N 3.485 123.070 119.600 -0.025 0.000 2.066 149 M HA 0.201 4.681 4.480 -0.000 0.000 0.340 149 M C 0.869 177.139 176.300 -0.050 0.000 1.053 149 M CA -0.133 55.148 55.300 -0.032 0.000 0.983 149 M CB 0.844 33.427 32.600 -0.029 0.000 1.520 149 M HN 0.366 nan 8.290 nan 0.000 0.428 150 T N -2.363 112.169 114.554 -0.037 0.000 3.132 150 T HA 0.267 4.617 4.350 -0.000 0.000 0.274 150 T C -0.171 174.516 174.700 -0.022 0.000 1.011 150 T CA -0.328 61.748 62.100 -0.042 0.000 0.899 150 T CB 0.299 69.145 68.868 -0.037 0.000 1.089 150 T HN 0.519 nan 8.240 nan 0.000 0.543 151 D N -0.097 120.294 120.400 -0.016 0.000 2.732 151 D HA 0.494 5.134 4.640 -0.000 0.000 0.229 151 D C -0.013 176.281 176.300 -0.011 0.000 1.152 151 D CA -0.626 53.375 54.000 0.001 0.000 0.854 151 D CB 2.461 43.264 40.800 0.007 0.000 1.590 151 D HN -0.018 nan 8.370 nan 0.000 0.468 152 S N 1.249 116.962 115.700 0.021 0.000 2.603 152 S HA 0.048 4.518 4.470 -0.000 0.000 0.232 152 S C 0.065 174.659 174.600 -0.011 0.000 1.016 152 S CA -0.321 57.875 58.200 -0.007 0.000 0.976 152 S CB 0.215 63.406 63.200 -0.016 0.000 0.921 152 S HN 0.462 nan 8.310 nan 0.000 0.516 153 Y N 3.103 123.268 120.300 -0.225 0.000 2.535 153 Y HA 0.418 4.968 4.550 -0.000 0.000 0.349 153 Y C 0.863 176.515 175.900 -0.412 0.000 0.992 153 Y CA -1.729 56.073 58.100 -0.496 0.000 1.248 153 Y CB -0.242 37.890 38.460 -0.546 0.000 1.124 153 Y HN 0.017 nan 8.280 nan 0.000 0.520 154 L N 7.071 127.877 121.223 -0.695 0.000 2.043 154 L HA -0.184 4.155 4.340 -0.000 0.000 0.212 154 L C -0.621 175.827 176.870 -0.703 0.000 1.075 154 L CA 1.401 55.789 54.840 -0.753 0.000 0.752 154 L CB -1.293 40.323 42.059 -0.738 0.000 0.891 154 L HN 0.494 nan 8.230 nan 0.000 0.432 155 P HA -0.136 nan 4.420 nan 0.000 0.220 155 P C 1.382 178.486 177.300 -0.326 0.000 1.148 155 P CA 1.266 64.037 63.100 -0.549 0.000 0.803 155 P CB -0.011 31.312 31.700 -0.628 0.000 0.782 156 R N -0.820 119.490 120.500 -0.317 0.000 2.062 156 R HA 0.061 4.401 4.340 -0.000 0.000 0.226 156 R C 2.320 178.561 176.300 -0.098 0.000 1.125 156 R CA 0.951 56.994 56.100 -0.096 0.000 0.966 156 R CB -1.049 29.267 30.300 0.027 0.000 0.861 156 R HN 0.217 nan 8.270 nan 0.000 0.433 157 L N 0.315 121.447 121.223 -0.151 0.000 2.043 157 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 157 L C 2.617 179.478 176.870 -0.016 0.000 1.075 157 L CA 1.206 55.999 54.840 -0.078 0.000 0.752 157 L CB -0.361 41.626 42.059 -0.120 0.000 0.891 157 L HN 0.202 nan 8.230 nan 0.000 0.432 158 M N 0.046 119.586 119.600 -0.100 0.000 2.086 158 M HA -0.195 4.285 4.480 -0.000 0.000 0.261 158 M C 2.074 178.326 176.300 -0.079 0.000 1.067 158 M CA 1.785 57.039 55.300 -0.077 0.000 1.116 158 M CB -0.358 32.123 32.600 -0.199 0.000 1.348 158 M HN 0.113 nan 8.290 nan 0.000 0.407 159 E N -0.642 119.527 120.200 -0.050 0.000 2.150 159 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 159 E C 1.807 178.410 176.600 0.005 0.000 0.985 159 E CA 0.962 57.367 56.400 0.007 0.000 0.814 159 E CB -0.267 29.451 29.700 0.029 0.000 0.752 159 E HN 0.632 nan 8.360 nan 0.000 0.466 160 A N 0.625 123.441 122.820 -0.008 0.000 2.121 160 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 160 A C 1.932 179.512 177.584 -0.007 0.000 1.154 160 A CA 1.177 53.212 52.037 -0.003 0.000 0.679 160 A CB -0.060 18.939 19.000 -0.003 0.000 0.795 160 A HN 0.183 nan 8.150 nan 0.000 0.458 161 Q N -2.294 117.495 119.800 -0.017 0.000 2.211 161 Q HA 0.494 4.834 4.340 -0.000 0.000 0.242 161 Q C 0.194 176.173 176.000 -0.035 0.000 0.825 161 Q CA 0.473 56.256 55.803 -0.032 0.000 0.951 161 Q CB 0.678 29.386 28.738 -0.050 0.000 1.130 161 Q HN 0.585 nan 8.270 nan 0.000 0.496 162 A N 0.115 122.923 122.820 -0.019 0.000 2.485 162 A HA 0.299 4.619 4.320 -0.000 0.000 0.292 162 A C 0.071 177.707 177.584 0.087 0.000 1.147 162 A CA -0.489 51.553 52.037 0.008 0.000 0.750 162 A CB 1.137 20.071 19.000 -0.111 0.000 1.331 162 A HN 0.250 nan 8.150 nan 0.000 0.419 163 Q N 0.007 119.896 119.800 0.148 0.000 2.354 163 Q HA 0.272 4.612 4.340 -0.000 0.000 0.203 163 Q C 0.693 176.765 176.000 0.121 0.000 0.933 163 Q CA 0.987 56.857 55.803 0.113 0.000 0.901 163 Q CB 0.071 28.858 28.738 0.082 0.000 1.007 163 Q HN 0.796 nan 8.270 nan 0.000 0.495 164 G N 0.446 109.378 108.800 0.221 0.000 3.016 164 G HA2 0.532 4.492 3.960 -0.000 0.000 0.270 164 G HA3 0.532 4.492 3.960 -0.000 0.000 0.270 164 G C -0.991 173.995 174.900 0.143 0.000 1.352 164 G CA -1.157 43.983 45.100 0.067 0.000 1.060 164 G HN 0.031 nan 8.290 nan 0.000 0.538 165 R N -1.439 119.061 120.500 -0.000 0.000 2.457 165 R HA 0.455 4.795 4.340 -0.000 0.000 0.284 165 R C -1.053 175.433 176.300 0.310 0.000 1.024 165 R CA -0.355 55.792 56.100 0.078 0.000 1.025 165 R CB 1.473 31.654 30.300 -0.199 0.000 1.063 165 R HN 0.380 nan 8.270 nan 0.000 0.493 166 C N 2.106 121.662 119.300 0.426 0.000 2.369 166 C HA 0.735 5.195 4.460 -0.000 0.000 0.322 166 C C 0.595 175.721 174.990 0.227 0.000 1.258 166 C CA -0.145 59.107 59.018 0.389 0.000 1.487 166 C CB 0.370 28.235 27.740 0.208 0.000 2.165 166 C HN 0.964 nan 8.230 nan 0.000 0.483 167 G N 3.387 112.134 108.800 -0.087 0.000 2.938 167 G HA2 0.757 4.717 3.960 -0.000 0.000 0.258 167 G HA3 0.757 4.717 3.960 -0.000 0.000 0.258 167 G C -1.381 173.351 174.900 -0.279 0.000 1.356 167 G CA -0.460 44.339 45.100 -0.503 0.000 1.052 167 G HN 0.852 nan 8.290 nan 0.000 0.550 168 V N 0.624 120.385 119.914 -0.255 0.000 2.686 168 V HA 0.360 4.480 4.120 -0.000 0.000 0.306 168 V C -0.865 175.159 176.094 -0.117 0.000 1.065 168 V CA -0.657 61.547 62.300 -0.159 0.000 0.894 168 V CB 1.870 33.620 31.823 -0.123 0.000 1.004 168 V HN 0.522 nan 8.190 nan 0.000 0.424 169 I N 6.828 127.348 120.570 -0.082 0.000 2.307 169 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 169 I C -2.238 173.834 176.117 -0.075 0.000 1.021 169 I CA -2.182 59.081 61.300 -0.060 0.000 1.224 169 I CB 1.611 39.593 38.000 -0.030 0.000 1.376 169 I HN 0.391 nan 8.210 nan 0.000 0.470 170 P HA 0.191 nan 4.420 nan 0.000 0.276 170 P C 0.640 177.882 177.300 -0.098 0.000 1.244 170 P CA -0.295 62.742 63.100 -0.105 0.000 0.801 170 P CB 1.383 33.015 31.700 -0.113 0.000 1.006 171 A N 2.015 124.777 122.820 -0.097 0.000 1.927 171 A HA -0.299 4.021 4.320 -0.000 0.000 0.220 171 A C 2.188 179.739 177.584 -0.055 0.000 1.185 171 A CA 2.234 54.171 52.037 -0.165 0.000 0.639 171 A CB -1.515 17.509 19.000 0.039 0.000 0.820 171 A HN 0.551 nan 8.150 nan 0.000 0.451 172 Q N -0.791 119.026 119.800 0.028 0.000 2.124 172 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 172 Q C 2.193 178.207 176.000 0.023 0.000 0.977 172 Q CA 2.159 57.990 55.803 0.047 0.000 0.850 172 Q CB -0.699 28.071 28.738 0.053 0.000 0.901 172 Q HN 0.710 nan 8.270 nan 0.000 0.429 173 T N 0.507 115.059 114.554 -0.004 0.000 2.777 173 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 173 T C 1.497 176.201 174.700 0.006 0.000 1.040 173 T CA 0.628 62.727 62.100 -0.002 0.000 1.141 173 T CB -0.182 68.677 68.868 -0.015 0.000 0.868 173 T HN 0.041 nan 8.240 nan 0.000 0.444 174 L N 1.866 123.082 121.223 -0.012 0.000 2.043 174 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 174 L C 2.128 179.052 176.870 0.089 0.000 1.075 174 L CA 1.704 56.558 54.840 0.022 0.000 0.752 174 L CB -0.997 41.033 42.059 -0.049 0.000 0.891 174 L HN 0.196 nan 8.230 nan 0.000 0.432 175 D N -0.642 119.820 120.400 0.104 0.000 2.144 175 D HA -0.162 4.478 4.640 -0.000 0.000 0.200 175 D C 2.059 178.399 176.300 0.066 0.000 0.978 175 D CA 0.870 54.942 54.000 0.120 0.000 0.833 175 D CB 0.039 40.914 40.800 0.125 0.000 0.961 175 D HN 0.458 nan 8.370 nan 0.000 0.470 176 E N 0.155 120.383 120.200 0.047 0.000 2.268 176 E HA 0.167 4.517 4.350 -0.000 0.000 0.195 176 E C 1.165 177.782 176.600 0.027 0.000 0.995 176 E CA 0.599 57.017 56.400 0.030 0.000 0.836 176 E CB 0.165 29.877 29.700 0.021 0.000 0.763 176 E HN 0.262 nan 8.360 nan 0.000 0.491 177 G N -0.806 108.015 108.800 0.034 0.000 2.483 177 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.521 177 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.521 177 G C 0.550 175.462 174.900 0.021 0.000 1.278 177 G CA -0.510 44.607 45.100 0.029 0.000 0.965 177 G HN -0.045 nan 8.290 nan 0.000 0.504 178 V N 0.885 120.808 119.914 0.015 0.000 2.252 178 V HA -0.100 4.020 4.120 -0.000 0.000 0.249 178 V C 3.460 179.558 176.094 0.007 0.000 1.056 178 V CA 3.828 66.134 62.300 0.010 0.000 1.022 178 V CB -1.338 30.486 31.823 0.002 0.000 0.641 178 V HN 1.816 nan 8.190 nan 0.000 0.445 179 A N -0.411 122.411 122.820 0.003 0.000 1.930 179 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 179 A C 2.385 179.969 177.584 -0.000 0.000 1.175 179 A CA 1.974 54.011 52.037 -0.000 0.000 0.627 179 A CB -0.711 18.288 19.000 -0.001 0.000 0.815 179 A HN 0.593 nan 8.150 nan 0.000 0.443 180 A N -0.944 121.877 122.820 0.003 0.000 1.898 180 A HA -0.060 4.259 4.320 -0.000 0.000 0.216 180 A C 2.302 179.886 177.584 -0.000 0.000 1.181 180 A CA 2.233 54.270 52.037 0.001 0.000 0.620 180 A CB -1.151 17.852 19.000 0.006 0.000 0.819 180 A HN 0.421 nan 8.150 nan 0.000 0.442 181 T N -0.654 113.903 114.554 0.005 0.000 2.737 181 T HA -0.110 4.240 4.350 -0.000 0.000 0.265 181 T C 2.179 176.882 174.700 0.006 0.000 1.038 181 T CA 1.223 63.328 62.100 0.007 0.000 1.144 181 T CB -0.248 68.630 68.868 0.017 0.000 0.866 181 T HN 0.268 nan 8.240 nan 0.000 0.434 182 R N 1.463 121.965 120.500 0.004 0.000 2.094 182 R HA -0.020 4.320 4.340 -0.000 0.000 0.239 182 R C 2.652 178.939 176.300 -0.020 0.000 1.137 182 R CA 1.929 58.028 56.100 -0.003 0.000 0.943 182 R CB -1.267 29.030 30.300 -0.004 0.000 0.850 182 R HN 0.440 nan 8.270 nan 0.000 0.433 183 A N 0.374 123.183 122.820 -0.019 0.000 1.892 183 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 183 A C 2.386 179.949 177.584 -0.035 0.000 1.188 183 A CA 2.443 54.465 52.037 -0.026 0.000 0.631 183 A CB -0.851 18.139 19.000 -0.017 0.000 0.822 183 A HN 0.445 nan 8.150 nan 0.000 0.447 184 A N -0.555 122.249 122.820 -0.026 0.000 1.902 184 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 184 A C 2.192 179.751 177.584 -0.043 0.000 1.181 184 A CA 1.470 53.490 52.037 -0.029 0.000 0.623 184 A CB -0.588 18.400 19.000 -0.019 0.000 0.818 184 A HN 0.481 nan 8.150 nan 0.000 0.443 185 L N -0.379 120.822 121.223 -0.036 0.000 2.046 185 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 185 L C 2.861 179.581 176.870 -0.250 0.000 1.077 185 L CA 1.547 56.344 54.840 -0.071 0.000 0.747 185 L CB -0.432 41.631 42.059 0.007 0.000 0.896 185 L HN 0.336 nan 8.230 nan 0.000 0.432 186 S N -0.694 114.899 115.700 -0.178 0.000 2.382 186 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 186 S C 2.034 176.537 174.600 -0.161 0.000 1.027 186 S CA 1.132 59.216 58.200 -0.193 0.000 0.991 186 S CB -0.297 62.836 63.200 -0.112 0.000 0.823 186 S HN 0.345 nan 8.310 nan 0.000 0.469 187 R N 0.924 121.364 120.500 -0.101 0.000 2.092 187 R HA 0.024 4.364 4.340 -0.000 0.000 0.231 187 R C 2.087 178.367 176.300 -0.032 0.000 1.119 187 R CA 0.967 57.033 56.100 -0.055 0.000 0.970 187 R CB -0.310 29.971 30.300 -0.032 0.000 0.864 187 R HN 0.367 nan 8.270 nan 0.000 0.440 188 L N 0.326 121.514 121.223 -0.059 0.000 2.093 188 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 188 L C 2.762 179.684 176.870 0.088 0.000 1.085 188 L CA 1.334 56.200 54.840 0.044 0.000 0.755 188 L CB -0.402 41.656 42.059 -0.002 0.000 0.904 188 L HN 0.355 nan 8.230 nan 0.000 0.435 189 Q N -0.065 119.589 119.800 -0.243 0.000 2.020 189 Q HA -0.274 4.066 4.340 -0.000 0.000 0.202 189 Q C 2.248 178.189 176.000 -0.099 0.000 0.982 189 Q CA 1.784 57.400 55.803 -0.312 0.000 0.838 189 Q CB 0.038 28.409 28.738 -0.611 0.000 0.899 189 Q HN 0.459 nan 8.270 nan 0.000 0.423 190 Q N 0.226 119.973 119.800 -0.088 0.000 2.096 190 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 190 Q C 1.568 177.565 176.000 -0.006 0.000 0.982 190 Q CA 1.737 57.514 55.803 -0.042 0.000 0.850 190 Q CB 0.058 28.773 28.738 -0.039 0.000 0.901 190 Q HN 0.436 nan 8.270 nan 0.000 0.422 191 E N -1.111 119.114 120.200 0.042 0.000 2.515 191 E HA -0.034 4.316 4.350 -0.000 0.000 0.201 191 E C 0.734 177.325 176.600 -0.016 0.000 1.071 191 E CA 0.383 56.818 56.400 0.059 0.000 0.880 191 E CB 0.139 29.942 29.700 0.172 0.000 0.828 191 E HN 0.530 nan 8.360 nan 0.000 0.540 192 G N 0.213 109.007 108.800 -0.010 0.000 2.163 192 G HA2 -0.262 3.697 3.960 -0.000 0.000 0.213 192 G HA3 -0.262 3.697 3.960 -0.000 0.000 0.213 192 G C -0.215 174.609 174.900 -0.127 0.000 0.991 192 G CA -0.409 44.638 45.100 -0.088 0.000 0.653 192 G HN 0.207 nan 8.290 nan 0.000 0.518 193 Y N -0.330 119.997 120.300 0.046 0.000 2.326 193 Y HA 0.526 5.076 4.550 -0.000 0.000 0.333 193 Y C 1.746 177.703 175.900 0.094 0.000 1.240 193 Y CA 0.467 58.610 58.100 0.072 0.000 1.365 193 Y CB 0.754 39.311 38.460 0.162 0.000 1.289 193 Y HN 0.078 nan 8.280 nan 0.000 0.548 194 R N 0.545 121.002 120.500 -0.072 0.000 2.254 194 R HA 0.168 4.508 4.340 -0.000 0.000 0.193 194 R C -1.165 174.615 176.300 -0.867 0.000 0.929 194 R CA 0.305 56.123 56.100 -0.469 0.000 1.038 194 R CB 0.482 30.192 30.300 -0.983 0.000 1.009 194 R HN 0.686 nan 8.270 nan 0.000 0.512 195 Y N -1.160 119.029 120.300 -0.185 0.000 2.553 195 Y HA 0.702 5.252 4.550 0.000 0.000 0.347 195 Y C -0.688 175.012 175.900 -0.334 0.000 1.019 195 Y CA -1.492 56.354 58.100 -0.423 0.000 1.032 195 Y CB 1.868 40.213 38.460 -0.192 0.000 1.284 195 Y HN -0.127 nan 8.280 nan 0.000 0.466 196 A N 1.349 124.023 122.820 -0.243 0.000 2.343 196 A HA 0.720 5.040 4.320 -0.000 0.000 0.308 196 A C -1.405 176.132 177.584 -0.078 0.000 1.092 196 A CA -0.794 51.193 52.037 -0.083 0.000 0.751 196 A CB 0.848 19.897 19.000 0.082 0.000 1.203 196 A HN 0.561 nan 8.150 nan 0.000 0.452 197 V N 3.740 123.592 119.914 -0.103 0.000 2.488 197 V HA 0.233 4.353 4.120 -0.000 0.000 0.277 197 V C 0.007 176.054 176.094 -0.079 0.000 1.046 197 V CA 0.077 62.309 62.300 -0.114 0.000 0.986 197 V CB 0.872 32.574 31.823 -0.202 0.000 0.989 197 V HN 0.700 nan 8.190 nan 0.000 0.475 198 L N 4.515 125.711 121.223 -0.046 0.000 2.282 198 L HA 0.481 4.821 4.340 -0.000 0.000 0.288 198 L C -0.094 176.760 176.870 -0.027 0.000 1.033 198 L CA -0.795 54.028 54.840 -0.030 0.000 0.807 198 L CB 1.247 43.304 42.059 -0.003 0.000 1.209 198 L HN 0.519 nan 8.230 nan 0.000 0.423 199 D N 2.528 122.900 120.400 -0.047 0.000 2.368 199 D HA 0.513 5.153 4.640 -0.000 0.000 0.240 199 D C -0.131 176.142 176.300 -0.044 0.000 1.169 199 D CA 0.364 54.344 54.000 -0.033 0.000 0.906 199 D CB 1.389 42.150 40.800 -0.064 0.000 1.187 199 D HN 0.658 nan 8.370 nan 0.000 0.435 200 A N 1.381 124.222 122.820 0.034 0.000 2.500 200 A HA 0.374 4.694 4.320 -0.000 0.000 0.291 200 A C -0.191 177.525 177.584 0.220 0.000 1.048 200 A CA -0.557 51.561 52.037 0.135 0.000 0.791 200 A CB 0.337 19.414 19.000 0.128 0.000 1.309 200 A HN 0.489 nan 8.150 nan 0.000 0.397 201 L N 1.079 122.564 121.223 0.436 0.000 2.664 201 L HA 0.279 4.619 4.340 -0.000 0.000 0.233 201 L C 0.423 177.360 176.870 0.113 0.000 1.113 201 L CA 0.392 55.367 54.840 0.225 0.000 0.896 201 L CB -0.139 42.044 42.059 0.207 0.000 1.163 201 L HN 0.880 nan 8.230 nan 0.000 0.497 202 N N -3.124 115.637 118.700 0.102 0.000 3.185 202 N HA 0.055 4.795 4.740 -0.000 0.000 0.238 202 N C -0.051 175.446 175.510 -0.021 0.000 1.451 202 N CA -0.794 52.241 53.050 -0.025 0.000 0.888 202 N CB 0.576 38.980 38.487 -0.138 0.000 1.413 202 N HN -0.188 nan 8.380 nan 0.000 0.511 203 E N -0.385 119.800 120.200 -0.024 0.000 2.130 203 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 203 E C 1.315 177.902 176.600 -0.021 0.000 0.998 203 E CA 1.065 57.461 56.400 -0.006 0.000 0.806 203 E CB 0.010 29.712 29.700 0.002 0.000 0.738 203 E HN 0.452 nan 8.360 nan 0.000 0.459 204 R N 0.106 120.553 120.500 -0.087 0.000 2.081 204 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 204 R C 1.983 178.272 176.300 -0.019 0.000 1.131 204 R CA 1.669 57.717 56.100 -0.085 0.000 0.960 204 R CB -0.255 29.953 30.300 -0.154 0.000 0.856 204 R HN 0.403 nan 8.270 nan 0.000 0.436 205 H N 0.175 119.255 119.070 0.016 0.000 2.319 205 H HA -0.163 4.393 4.556 -0.000 0.000 0.297 205 H C 2.227 177.566 175.328 0.019 0.000 1.097 205 H CA 1.762 57.823 56.048 0.021 0.000 1.285 205 H CB -0.095 29.685 29.762 0.029 0.000 1.368 205 H HN 0.169 nan 8.280 nan 0.000 0.495 206 L N 0.551 121.859 121.223 0.141 0.000 2.079 206 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 206 L C 2.218 179.123 176.870 0.058 0.000 1.081 206 L CA 1.354 56.241 54.840 0.078 0.000 0.752 206 L CB -0.351 41.732 42.059 0.041 0.000 0.896 206 L HN 0.419 nan 8.230 nan 0.000 0.433 207 E N 0.223 120.450 120.200 0.045 0.000 2.106 207 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 207 E C 2.270 178.887 176.600 0.029 0.000 0.984 207 E CA 0.992 57.408 56.400 0.028 0.000 0.806 207 E CB -0.061 29.647 29.700 0.013 0.000 0.750 207 E HN 0.487 nan 8.360 nan 0.000 0.458 208 I N 1.215 121.815 120.570 0.049 0.000 2.252 208 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 208 I C 2.446 178.590 176.117 0.044 0.000 1.102 208 I CA 1.192 62.520 61.300 0.048 0.000 1.385 208 I CB -0.134 37.913 38.000 0.078 0.000 1.064 208 I HN 0.079 nan 8.210 nan 0.000 0.414 209 Q N 0.381 120.216 119.800 0.058 0.000 2.084 209 Q HA -0.146 4.194 4.340 -0.000 0.000 0.202 209 Q C 2.410 178.441 176.000 0.051 0.000 0.978 209 Q CA 1.578 57.414 55.803 0.054 0.000 0.844 209 Q CB -0.473 28.302 28.738 0.061 0.000 0.898 209 Q HN 0.648 nan 8.270 nan 0.000 0.426 210 G N 1.001 109.829 108.800 0.046 0.000 2.476 210 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.218 210 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.218 210 G C 1.203 176.104 174.900 0.002 0.000 1.164 210 G CA 1.068 46.191 45.100 0.038 0.000 0.768 210 G HN 0.381 nan 8.290 nan 0.000 0.560 211 E N -0.241 119.949 120.200 -0.016 0.000 2.047 211 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 211 E C 2.723 179.311 176.600 -0.021 0.000 0.987 211 E CA 1.047 57.420 56.400 -0.044 0.000 0.799 211 E CB -0.062 29.616 29.700 -0.038 0.000 0.752 211 E HN 0.254 nan 8.360 nan 0.000 0.449 212 V N 1.186 121.105 119.914 0.008 0.000 2.407 212 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 212 V C 2.058 178.175 176.094 0.038 0.000 1.055 212 V CA 1.375 63.688 62.300 0.022 0.000 1.049 212 V CB -0.313 31.530 31.823 0.034 0.000 0.662 212 V HN 0.330 nan 8.190 nan 0.000 0.455 213 L N -1.045 120.209 121.223 0.052 0.000 2.700 213 L HA 0.210 4.550 4.340 -0.000 0.000 0.234 213 L C 2.241 179.171 176.870 0.100 0.000 1.156 213 L CA 0.019 54.908 54.840 0.081 0.000 0.946 213 L CB -0.417 41.697 42.059 0.093 0.000 1.216 213 L HN 0.172 nan 8.230 nan 0.000 0.493 214 R N 0.891 121.427 120.500 0.060 0.000 2.159 214 R HA -0.214 4.126 4.340 -0.000 0.000 0.249 214 R C 0.528 176.955 176.300 0.212 0.000 1.136 214 R CA 2.014 58.153 56.100 0.064 0.000 0.951 214 R CB -0.106 30.148 30.300 -0.076 0.000 0.876 214 R HN 0.381 nan 8.270 nan 0.000 0.440 215 D N -1.041 119.453 120.400 0.156 0.000 2.462 215 D HA 0.171 4.811 4.640 -0.000 0.000 0.221 215 D C -0.610 175.772 176.300 0.136 0.000 1.173 215 D CA 0.008 54.113 54.000 0.175 0.000 0.831 215 D CB 0.668 41.549 40.800 0.135 0.000 1.001 215 D HN 0.197 nan 8.370 nan 0.000 0.499 216 A N 2.277 125.175 122.820 0.131 0.000 2.440 216 A HA 0.316 4.636 4.320 -0.000 0.000 0.251 216 A C -1.067 176.584 177.584 0.113 0.000 1.089 216 A CA -0.820 51.286 52.037 0.115 0.000 0.779 216 A CB 0.785 19.853 19.000 0.114 0.000 1.022 216 A HN -0.067 nan 8.150 nan 0.000 0.492 217 P HA -0.011 nan 4.420 nan 0.000 0.216 217 P C 0.270 177.617 177.300 0.079 0.000 1.153 217 P CA 0.799 63.948 63.100 0.082 0.000 0.844 217 P CB 0.059 31.800 31.700 0.069 0.000 0.787 218 L N -1.025 120.242 121.223 0.073 0.000 2.323 218 L HA 0.722 5.062 4.340 -0.000 0.000 0.265 218 L C -1.118 175.769 176.870 0.029 0.000 1.012 218 L CA -0.991 53.882 54.840 0.056 0.000 0.820 218 L CB 2.473 44.564 42.059 0.054 0.000 1.334 218 L HN -0.303 nan 8.230 nan 0.000 0.427 219 V N 1.478 121.367 119.914 -0.041 0.000 3.023 219 V HA 0.697 4.817 4.120 -0.000 0.000 0.294 219 V C -1.059 174.795 176.094 -0.400 0.000 1.324 219 V CA 0.142 62.349 62.300 -0.156 0.000 0.979 219 V CB 2.659 34.420 31.823 -0.103 0.000 1.093 219 V HN 1.051 nan 8.190 nan 0.000 0.434 220 T N 1.150 115.463 114.554 -0.401 0.000 2.933 220 T HA 0.970 5.320 4.350 -0.000 0.000 0.305 220 T C -0.358 174.016 174.700 -0.543 0.000 1.092 220 T CA 0.197 62.006 62.100 -0.485 0.000 1.008 220 T CB 1.937 70.816 68.868 0.019 0.000 1.102 220 T HN 1.959 nan 8.240 nan 0.000 0.469 221 G N 0.617 108.854 108.800 -0.937 0.000 2.323 221 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 221 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 221 G C -0.090 174.408 174.900 -0.670 0.000 1.278 221 G CA -0.141 44.571 45.100 -0.647 0.000 0.860 221 G HN 1.106 nan 8.290 nan 0.000 0.504 222 G N -0.932 107.726 108.800 -0.236 0.000 2.582 222 G HA2 0.441 4.401 3.960 -0.000 0.000 0.232 222 G HA3 0.441 4.401 3.960 -0.000 0.000 0.232 222 G C 1.207 176.042 174.900 -0.107 0.000 1.458 222 G CA 1.053 46.066 45.100 -0.145 0.000 1.062 222 G HN 1.052 nan 8.290 nan 0.000 0.566 223 S N -0.450 115.131 115.700 -0.199 0.000 2.496 223 S HA 0.039 4.509 4.470 -0.000 0.000 0.224 223 S C 2.344 176.635 174.600 -0.515 0.000 0.996 223 S CA 0.810 58.782 58.200 -0.381 0.000 0.927 223 S CB 0.015 62.921 63.200 -0.490 0.000 0.774 223 S HN 0.727 nan 8.310 nan 0.000 0.524 224 G N 2.257 110.838 108.800 -0.364 0.000 2.433 224 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.216 224 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.216 224 G C 1.351 176.160 174.900 -0.151 0.000 1.186 224 G CA 0.833 45.755 45.100 -0.296 0.000 0.779 224 G HN 0.448 nan 8.290 nan 0.000 0.543 225 L N 1.539 122.743 121.223 -0.033 0.000 2.131 225 L HA 0.137 4.477 4.340 -0.000 0.000 0.210 225 L C 2.999 179.898 176.870 0.049 0.000 1.092 225 L CA 1.907 56.788 54.840 0.068 0.000 0.759 225 L CB -0.761 41.406 42.059 0.179 0.000 0.903 225 L HN 0.252 nan 8.230 nan 0.000 0.435 226 A N -0.240 122.511 122.820 -0.114 0.000 1.908 226 A HA -0.299 4.021 4.320 -0.000 0.000 0.218 226 A C 2.428 179.964 177.584 -0.079 0.000 1.181 226 A CA 2.304 54.189 52.037 -0.253 0.000 0.627 226 A CB -0.750 17.950 19.000 -0.500 0.000 0.818 226 A HN 0.664 nan 8.150 nan 0.000 0.445 227 M N -0.109 119.438 119.600 -0.088 0.000 2.080 227 M HA -0.110 4.370 4.480 -0.000 0.000 0.260 227 M C 2.022 178.350 176.300 0.047 0.000 1.068 227 M CA 2.411 57.729 55.300 0.030 0.000 1.109 227 M CB -0.645 31.976 32.600 0.034 0.000 1.342 227 M HN 0.287 nan 8.290 nan 0.000 0.405 228 G N 0.602 109.418 108.800 0.028 0.000 2.432 228 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.219 228 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.219 228 G C 1.432 176.364 174.900 0.052 0.000 1.135 228 G CA 0.941 46.064 45.100 0.040 0.000 0.767 228 G HN 0.491 nan 8.290 nan 0.000 0.550 229 L N 0.624 121.899 121.223 0.088 0.000 2.005 229 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 229 L C 3.423 180.419 176.870 0.209 0.000 1.072 229 L CA 0.990 55.918 54.840 0.147 0.000 0.744 229 L CB -0.525 41.664 42.059 0.217 0.000 0.895 229 L HN 0.269 nan 8.230 nan 0.000 0.433 230 A N 0.279 123.217 122.820 0.198 0.000 1.927 230 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 230 A C 2.356 180.058 177.584 0.197 0.000 1.185 230 A CA 1.951 54.129 52.037 0.234 0.000 0.639 230 A CB -0.631 18.456 19.000 0.145 0.000 0.820 230 A HN 0.374 nan 8.150 nan 0.000 0.451 231 R N -0.930 119.630 120.500 0.100 0.000 2.237 231 R HA -0.047 4.293 4.340 -0.000 0.000 0.219 231 R C 1.864 178.148 176.300 -0.027 0.000 1.080 231 R CA 0.899 57.028 56.100 0.048 0.000 0.995 231 R CB -0.119 30.199 30.300 0.031 0.000 0.875 231 R HN 0.564 nan 8.270 nan 0.000 0.462 232 Q N -1.188 118.535 119.800 -0.128 0.000 2.435 232 Q HA -0.122 4.218 4.340 -0.000 0.000 0.207 232 Q C 0.947 176.637 176.000 -0.517 0.000 0.956 232 Q CA 1.054 56.635 55.803 -0.370 0.000 0.917 232 Q CB 0.203 28.608 28.738 -0.555 0.000 0.997 232 Q HN 0.505 nan 8.270 nan 0.000 0.497 233 W N -0.575 120.741 121.300 0.026 0.000 2.842 233 W HA 0.288 4.948 4.660 -0.000 0.000 0.267 233 W C 2.224 178.757 176.519 0.022 0.000 1.219 233 W CA 0.169 57.529 57.345 0.024 0.000 1.458 233 W CB -0.262 29.213 29.460 0.026 0.000 1.006 233 W HN 0.017 nan 8.180 nan 0.000 0.603 234 A N 1.430 124.377 122.820 0.211 0.000 1.852 234 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 234 A C 1.572 179.202 177.584 0.077 0.000 1.215 234 A CA 1.530 53.638 52.037 0.119 0.000 0.641 234 A CB -1.036 18.013 19.000 0.083 0.000 0.838 234 A HN 0.161 nan 8.150 nan 0.000 0.450 244 A N 2.931 125.752 122.820 0.001 0.000 2.067 244 A HA 0.302 4.622 4.320 -0.000 0.000 0.219 244 A C 1.523 179.074 177.584 -0.055 0.000 1.158 244 A CA 1.409 53.382 52.037 -0.106 0.000 0.661 244 A CB -0.602 18.277 19.000 -0.201 0.000 0.801 244 A HN 1.385 nan 8.150 nan 0.000 0.452 245 G N -1.900 106.952 108.800 0.086 0.000 3.959 245 G HA2 0.383 4.343 3.960 -0.000 0.000 0.298 245 G HA3 0.383 4.343 3.960 -0.000 0.000 0.298 245 G C -0.284 174.697 174.900 0.136 0.000 1.211 245 G CA -0.359 44.820 45.100 0.131 0.000 1.001 245 G HN 0.267 nan 8.290 nan 0.000 0.561 246 Y N 1.774 122.057 120.300 -0.028 0.000 2.346 246 Y HA 0.377 4.927 4.550 -0.000 0.000 0.330 246 Y C -1.972 173.818 175.900 -0.184 0.000 1.178 246 Y CA -2.230 55.827 58.100 -0.073 0.000 1.331 246 Y CB 1.383 39.814 38.460 -0.048 0.000 1.253 246 Y HN 0.073 nan 8.280 nan 0.000 0.529 247 P HA 0.159 nan 4.420 nan 0.000 0.275 247 P C -0.764 176.277 177.300 -0.432 0.000 1.228 247 P CA -0.051 62.576 63.100 -0.789 0.000 0.786 247 P CB 0.668 31.371 31.700 -1.662 0.000 0.927 248 L N 0.618 121.674 121.223 -0.278 0.000 2.468 248 L HA 0.285 4.625 4.340 -0.000 0.000 0.254 248 L C 1.073 177.849 176.870 -0.156 0.000 1.171 248 L CA -0.340 54.416 54.840 -0.141 0.000 0.809 248 L CB 0.092 42.112 42.059 -0.066 0.000 1.155 248 L HN 0.322 nan 8.230 nan 0.000 0.473 249 S N -0.643 115.006 115.700 -0.086 0.000 2.586 249 S HA 0.758 5.228 4.470 -0.000 0.000 0.274 249 S C 0.100 174.666 174.600 -0.056 0.000 1.281 249 S CA 0.091 58.247 58.200 -0.073 0.000 1.035 249 S CB 1.314 64.490 63.200 -0.041 0.000 0.962 249 S HN 0.896 nan 8.310 nan 0.000 0.512 250 G N 1.821 110.585 108.800 -0.060 0.000 2.347 250 G HA2 0.129 4.089 3.960 -0.000 0.000 0.321 250 G HA3 0.129 4.089 3.960 -0.000 0.000 0.321 250 G C -1.348 173.512 174.900 -0.067 0.000 1.412 250 G CA -1.106 43.965 45.100 -0.049 0.000 0.990 250 G HN 0.696 nan 8.290 nan 0.000 0.637 251 R N 0.191 120.648 120.500 -0.072 0.000 2.441 251 R HA 0.683 5.023 4.340 -0.000 0.000 0.284 251 R C 0.973 177.199 176.300 -0.122 0.000 1.070 251 R CA 0.312 56.361 56.100 -0.085 0.000 1.047 251 R CB 0.871 31.120 30.300 -0.085 0.000 1.016 251 R HN 1.172 nan 8.270 nan 0.000 0.477 252 A N 2.734 125.495 122.820 -0.097 0.000 2.292 252 A HA 0.449 4.769 4.320 -0.000 0.000 0.265 252 A C -0.726 176.752 177.584 -0.178 0.000 1.133 252 A CA -0.411 51.560 52.037 -0.111 0.000 0.807 252 A CB 1.033 20.029 19.000 -0.006 0.000 1.102 252 A HN 0.533 nan 8.150 nan 0.000 0.502 253 V N -0.250 119.536 119.914 -0.213 0.000 3.000 253 V HA 0.502 4.621 4.120 -0.000 0.000 0.300 253 V C -1.348 174.665 176.094 -0.135 0.000 1.251 253 V CA -0.523 61.672 62.300 -0.176 0.000 0.972 253 V CB 2.166 33.832 31.823 -0.262 0.000 1.065 253 V HN 0.811 nan 8.190 nan 0.000 0.431 254 V N 7.261 127.101 119.914 -0.123 0.000 2.370 254 V HA 0.507 4.627 4.120 -0.000 0.000 0.279 254 V C -0.161 175.867 176.094 -0.110 0.000 1.029 254 V CA -0.448 61.706 62.300 -0.243 0.000 0.870 254 V CB 1.350 32.793 31.823 -0.634 0.000 0.984 254 V HN 0.669 nan 8.190 nan 0.000 0.451 255 L N 4.406 125.597 121.223 -0.052 0.000 2.295 255 L HA 0.514 4.854 4.340 -0.000 0.000 0.281 255 L C 0.145 176.931 176.870 -0.140 0.000 1.018 255 L CA 0.037 54.895 54.840 0.029 0.000 0.841 255 L CB 1.538 43.634 42.059 0.061 0.000 1.218 255 L HN 0.646 nan 8.230 nan 0.000 0.424 256 S N 1.551 117.231 115.700 -0.033 0.000 2.449 256 S HA 0.667 5.137 4.470 -0.000 0.000 0.310 256 S C 0.626 175.237 174.600 0.019 0.000 1.096 256 S CA -0.101 58.094 58.200 -0.008 0.000 1.095 256 S CB 1.606 64.862 63.200 0.093 0.000 1.007 256 S HN 0.768 nan 8.310 nan 0.000 0.474 257 G N 2.400 111.141 108.800 -0.099 0.000 2.707 257 G HA2 0.140 4.100 3.960 -0.000 0.000 0.198 257 G HA3 0.140 4.100 3.960 -0.000 0.000 0.198 257 G C 0.581 175.500 174.900 0.032 0.000 1.065 257 G CA 0.227 45.316 45.100 -0.018 0.000 0.763 257 G HN 0.796 nan 8.290 nan 0.000 0.625 258 S N -0.766 114.939 115.700 0.008 0.000 2.537 258 S HA 0.041 4.511 4.470 -0.000 0.000 0.280 258 S C 0.852 175.476 174.600 0.040 0.000 1.335 258 S CA 0.531 58.741 58.200 0.017 0.000 1.025 258 S CB 0.395 63.596 63.200 0.002 0.000 0.836 258 S HN 0.311 nan 8.310 nan 0.000 0.523 259 C N 3.008 122.323 119.300 0.026 0.000 3.240 259 C HA 0.349 4.809 4.460 -0.000 0.000 0.271 259 C C 0.689 175.686 174.990 0.013 0.000 1.534 259 C CA -0.305 58.732 59.018 0.031 0.000 1.796 259 C CB -1.760 26.000 27.740 0.034 0.000 2.892 259 C HN 0.913 nan 8.230 nan 0.000 0.566 260 S N 0.842 116.538 115.700 -0.008 0.000 2.550 260 S HA -0.070 4.400 4.470 -0.000 0.000 0.285 260 S C 0.782 175.371 174.600 -0.017 0.000 1.326 260 S CA 0.060 58.241 58.200 -0.031 0.000 1.037 260 S CB 0.585 63.743 63.200 -0.070 0.000 0.838 260 S HN 0.630 nan 8.310 nan 0.000 0.519 261 Q N -0.132 119.655 119.800 -0.023 0.000 2.364 261 Q HA -0.088 4.252 4.340 -0.000 0.000 0.209 261 Q C 1.687 177.678 176.000 -0.016 0.000 0.977 261 Q CA 0.990 56.788 55.803 -0.009 0.000 0.885 261 Q CB -0.223 28.510 28.738 -0.008 0.000 0.941 261 Q HN 0.744 nan 8.270 nan 0.000 0.464 262 M N -0.738 118.833 119.600 -0.049 0.000 2.394 262 M HA -0.016 4.464 4.480 -0.000 0.000 0.266 262 M C 1.683 177.941 176.300 -0.070 0.000 1.098 262 M CA 1.460 56.718 55.300 -0.071 0.000 1.149 262 M CB -0.037 32.491 32.600 -0.120 0.000 1.369 262 M HN -0.052 nan 8.290 nan 0.000 0.450 263 T N 0.691 115.213 114.554 -0.053 0.000 2.812 263 T HA -0.057 4.293 4.350 -0.000 0.000 0.264 263 T C 1.737 176.487 174.700 0.083 0.000 1.042 263 T CA 1.342 63.440 62.100 -0.004 0.000 1.140 263 T CB -0.363 68.517 68.868 0.021 0.000 0.870 263 T HN 0.426 nan 8.240 nan 0.000 0.445 264 N N 1.297 120.038 118.700 0.069 0.000 2.137 264 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 264 N C 2.054 177.636 175.510 0.120 0.000 1.017 264 N CA 1.273 54.380 53.050 0.095 0.000 0.859 264 N CB -0.155 38.373 38.487 0.068 0.000 1.002 264 N HN 0.568 nan 8.380 nan 0.000 0.428 265 Q N 0.703 120.558 119.800 0.091 0.000 2.046 265 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 265 Q C 1.998 178.108 176.000 0.184 0.000 0.975 265 Q CA 1.116 56.989 55.803 0.117 0.000 0.836 265 Q CB -0.096 28.680 28.738 0.062 0.000 0.896 265 Q HN 0.435 nan 8.270 nan 0.000 0.428 266 Q N -0.246 119.626 119.800 0.121 0.000 2.170 266 Q HA -0.123 4.217 4.340 -0.000 0.000 0.203 266 Q C 2.101 178.394 176.000 0.488 0.000 0.976 266 Q CA 1.210 57.095 55.803 0.137 0.000 0.858 266 Q CB 0.113 28.683 28.738 -0.280 0.000 0.907 266 Q HN 0.180 nan 8.270 nan 0.000 0.433 267 V N 0.520 120.715 119.914 0.468 0.000 2.323 267 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 267 V C 2.224 178.545 176.094 0.377 0.000 1.041 267 V CA 1.605 64.188 62.300 0.472 0.000 1.025 267 V CB -0.990 31.029 31.823 0.326 0.000 0.656 267 V HN 0.397 nan 8.190 nan 0.000 0.451 268 A N -0.124 122.873 122.820 0.294 0.000 1.873 268 A HA -0.293 4.027 4.320 -0.000 0.000 0.218 268 A C 2.131 179.882 177.584 0.279 0.000 1.193 268 A CA 2.380 54.556 52.037 0.233 0.000 0.629 268 A CB -0.843 18.271 19.000 0.190 0.000 0.826 268 A HN 0.500 nan 8.150 nan 0.000 0.447 269 F N -1.298 118.788 119.950 0.227 0.000 2.026 269 F HA -0.241 4.286 4.527 -0.000 0.000 0.296 269 F C 2.248 178.289 175.800 0.401 0.000 1.133 269 F CA 2.306 60.475 58.000 0.282 0.000 1.188 269 F CB -0.634 38.521 39.000 0.257 0.000 0.968 269 F HN 0.347 nan 8.300 nan 0.000 0.476 270 Y N 0.870 121.533 120.300 0.605 0.000 2.483 270 Y HA -0.200 4.350 4.550 -0.000 0.000 0.291 270 Y C 2.650 178.718 175.900 0.280 0.000 1.143 270 Y CA 1.379 59.779 58.100 0.500 0.000 1.289 270 Y CB -0.324 38.468 38.460 0.554 0.000 0.983 270 Y HN 0.060 nan 8.280 nan 0.000 0.556 271 R N -0.193 120.453 120.500 0.243 0.000 2.092 271 R HA -0.164 4.176 4.340 -0.000 0.000 0.231 271 R C 1.996 178.270 176.300 -0.044 0.000 1.119 271 R CA 1.468 57.627 56.100 0.097 0.000 0.970 271 R CB -0.031 30.339 30.300 0.116 0.000 0.864 271 R HN 0.368 nan 8.270 nan 0.000 0.440 272 Q N -0.294 119.435 119.800 -0.118 0.000 2.170 272 Q HA -0.146 4.194 4.340 -0.000 0.000 0.203 272 Q C 1.098 176.844 176.000 -0.423 0.000 0.976 272 Q CA 1.331 56.947 55.803 -0.311 0.000 0.858 272 Q CB -0.072 28.364 28.738 -0.504 0.000 0.907 272 Q HN 0.674 nan 8.270 nan 0.000 0.433 273 H N -1.515 117.401 119.070 -0.257 0.000 2.542 273 H HA 0.600 5.156 4.556 -0.000 0.000 0.283 273 H C 0.161 175.291 175.328 -0.330 0.000 1.059 273 H CA 0.346 56.241 56.048 -0.256 0.000 1.162 273 H CB 0.846 30.474 29.762 -0.223 0.000 1.539 273 H HN 0.063 nan 8.280 nan 0.000 0.543 274 A N 1.735 124.398 122.820 -0.261 0.000 2.608 274 A HA 0.390 4.710 4.320 -0.000 0.000 0.292 274 A C -2.876 174.663 177.584 -0.076 0.000 1.066 274 A CA -1.422 50.462 52.037 -0.255 0.000 0.676 274 A CB 1.391 20.047 19.000 -0.574 0.000 1.277 274 A HN -0.143 nan 8.150 nan 0.000 0.413 275 P HA 0.274 nan 4.420 nan 0.000 0.275 275 P C -0.008 177.552 177.300 0.434 0.000 1.276 275 P CA 0.589 63.813 63.100 0.206 0.000 0.782 275 P CB 0.566 32.347 31.700 0.136 0.000 0.851 276 T N 2.336 117.105 114.554 0.359 0.000 2.950 276 T HA 0.676 5.026 4.350 -0.000 0.000 0.288 276 T C -0.340 174.374 174.700 0.023 0.000 1.035 276 T CA -0.859 61.425 62.100 0.307 0.000 1.028 276 T CB 1.770 70.748 68.868 0.183 0.000 1.109 276 T HN 0.263 nan 8.240 nan 0.000 0.514 277 R N 0.829 121.241 120.500 -0.146 0.000 2.744 277 R HA 0.540 4.880 4.340 -0.000 0.000 0.279 277 R C -1.601 174.617 176.300 -0.138 0.000 0.977 277 R CA -0.714 55.181 56.100 -0.341 0.000 0.906 277 R CB 1.696 31.553 30.300 -0.738 0.000 1.197 277 R HN 0.678 nan 8.270 nan 0.000 0.463 278 D N 1.337 121.674 120.400 -0.106 0.000 2.193 278 D HA 0.226 4.866 4.640 -0.000 0.000 0.244 278 D C -0.562 175.725 176.300 -0.021 0.000 1.064 278 D CA -0.314 53.665 54.000 -0.034 0.000 0.845 278 D CB 1.844 42.637 40.800 -0.011 0.000 1.148 278 D HN 0.049 nan 8.370 nan 0.000 0.464 279 V N 2.131 122.028 119.914 -0.027 0.000 2.555 279 V HA 0.072 4.192 4.120 -0.000 0.000 0.286 279 V C 0.335 176.460 176.094 0.051 0.000 1.044 279 V CA -0.233 62.044 62.300 -0.037 0.000 1.026 279 V CB 1.101 32.811 31.823 -0.189 0.000 0.981 279 V HN 0.458 nan 8.190 nan 0.000 0.480 280 D N 4.071 124.585 120.400 0.190 0.000 2.479 280 D HA 0.256 4.895 4.640 -0.000 0.000 0.218 280 D C 0.908 177.229 176.300 0.036 0.000 1.131 280 D CA -0.099 53.949 54.000 0.081 0.000 0.916 280 D CB 1.362 42.144 40.800 -0.030 0.000 1.022 280 D HN 0.234 nan 8.370 nan 0.000 0.515 281 V N 3.824 123.688 119.914 -0.083 0.000 2.233 281 V HA -0.364 3.756 4.120 -0.000 0.000 0.252 281 V C 2.461 178.350 176.094 -0.343 0.000 1.063 281 V CA 2.471 64.600 62.300 -0.284 0.000 1.032 281 V CB -0.738 30.760 31.823 -0.543 0.000 0.645 281 V HN 0.709 nan 8.190 nan 0.000 0.446 282 A N -0.408 122.248 122.820 -0.274 0.000 2.093 282 A HA -0.291 4.029 4.320 -0.000 0.000 0.222 282 A C 2.302 179.864 177.584 -0.037 0.000 1.162 282 A CA 2.102 54.117 52.037 -0.037 0.000 0.655 282 A CB -0.666 18.467 19.000 0.221 0.000 0.805 282 A HN 0.596 nan 8.150 nan 0.000 0.461 283 R N -1.012 119.446 120.500 -0.070 0.000 2.320 283 R HA 0.103 4.443 4.340 -0.000 0.000 0.211 283 R C -0.197 176.109 176.300 0.009 0.000 0.931 283 R CA 0.667 56.713 56.100 -0.091 0.000 1.071 283 R CB -0.403 29.694 30.300 -0.338 0.000 1.025 283 R HN 0.435 nan 8.270 nan 0.000 0.495 284 C N 1.202 120.493 119.300 -0.014 0.000 2.638 284 C HA 0.374 4.834 4.460 -0.000 0.000 0.282 284 C C 0.337 175.294 174.990 -0.055 0.000 1.473 284 C CA -0.711 58.292 59.018 -0.024 0.000 1.781 284 C CB -0.458 27.236 27.740 -0.076 0.000 2.780 284 C HN 0.380 nan 8.230 nan 0.000 0.531 285 L N 2.374 123.582 121.223 -0.025 0.000 2.959 285 L HA 0.364 4.704 4.340 -0.000 0.000 0.236 285 L C 0.244 177.125 176.870 0.018 0.000 1.296 285 L CA 0.497 55.338 54.840 0.001 0.000 1.047 285 L CB -0.620 41.457 42.059 0.031 0.000 1.395 285 L HN 0.470 nan 8.230 nan 0.000 0.492 286 S N -1.943 113.763 115.700 0.009 0.000 2.720 286 S HA 0.002 4.472 4.470 -0.000 0.000 0.318 286 S C 0.764 175.371 174.600 0.011 0.000 0.872 286 S CA -0.079 58.132 58.200 0.019 0.000 0.794 286 S CB 0.707 63.916 63.200 0.016 0.000 1.009 286 S HN 0.395 nan 8.310 nan 0.000 0.491 287 S N 3.068 118.780 115.700 0.019 0.000 2.389 287 S HA -0.257 4.213 4.470 -0.000 0.000 0.231 287 S C 1.343 175.952 174.600 0.014 0.000 1.052 287 S CA 1.719 59.928 58.200 0.016 0.000 1.053 287 S CB -1.125 62.089 63.200 0.023 0.000 0.886 287 S HN 0.881 nan 8.310 nan 0.000 0.456 288 E N 1.323 121.532 120.200 0.016 0.000 1.969 288 E HA -0.203 4.147 4.350 -0.000 0.000 0.222 288 E C 2.578 179.187 176.600 0.016 0.000 0.996 288 E CA 1.965 58.373 56.400 0.014 0.000 0.886 288 E CB -0.964 28.743 29.700 0.011 0.000 0.810 288 E HN 0.808 nan 8.360 nan 0.000 0.545 289 T N -0.024 114.537 114.554 0.012 0.000 2.565 289 T HA -0.346 4.004 4.350 -0.000 0.000 0.265 289 T C 1.885 176.613 174.700 0.047 0.000 1.082 289 T CA 1.820 63.930 62.100 0.015 0.000 1.173 289 T CB -0.686 68.180 68.868 -0.003 0.000 0.864 289 T HN 0.215 nan 8.240 nan 0.000 0.425 290 R N 1.476 122.000 120.500 0.040 0.000 2.246 290 R HA -0.256 4.084 4.340 -0.000 0.000 0.266 290 R C 2.504 178.827 176.300 0.038 0.000 1.163 290 R CA 2.317 58.440 56.100 0.038 0.000 0.992 290 R CB -0.375 29.915 30.300 -0.017 0.000 0.895 290 R HN 0.670 nan 8.270 nan 0.000 0.465 291 E N -0.564 119.654 120.200 0.031 0.000 2.072 291 E HA -0.156 4.194 4.350 -0.000 0.000 0.190 291 E C 2.006 178.635 176.600 0.048 0.000 0.982 291 E CA 1.092 57.510 56.400 0.029 0.000 0.803 291 E CB -0.186 29.528 29.700 0.023 0.000 0.755 291 E HN 0.519 nan 8.360 nan 0.000 0.453 292 A N 1.636 124.490 122.820 0.057 0.000 1.858 292 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 292 A C 2.151 179.805 177.584 0.118 0.000 1.190 292 A CA 1.289 53.363 52.037 0.062 0.000 0.617 292 A CB -0.948 18.073 19.000 0.034 0.000 0.827 292 A HN 0.260 nan 8.150 nan 0.000 0.443 293 Y N 0.805 121.082 120.300 -0.037 0.000 2.069 293 Y HA -0.285 4.265 4.550 -0.000 0.000 0.278 293 Y C 2.871 178.744 175.900 -0.045 0.000 1.175 293 Y CA 1.100 59.168 58.100 -0.053 0.000 1.134 293 Y CB -1.217 37.193 38.460 -0.083 0.000 0.965 293 Y HN 0.352 nan 8.280 nan 0.000 0.498 294 A N -0.187 122.666 122.820 0.056 0.000 1.892 294 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 294 A C 2.220 179.819 177.584 0.025 0.000 1.188 294 A CA 2.242 54.253 52.037 -0.044 0.000 0.631 294 A CB -0.867 18.113 19.000 -0.033 0.000 0.822 294 A HN 0.485 nan 8.150 nan 0.000 0.447 295 E N -0.209 120.026 120.200 0.059 0.000 2.047 295 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 295 E C 2.150 178.805 176.600 0.091 0.000 0.987 295 E CA 1.464 57.904 56.400 0.066 0.000 0.799 295 E CB -0.528 29.206 29.700 0.057 0.000 0.752 295 E HN 0.486 nan 8.360 nan 0.000 0.449 296 A N 0.704 123.594 122.820 0.117 0.000 1.869 296 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 296 A C 2.344 180.034 177.584 0.176 0.000 1.203 296 A CA 1.907 54.029 52.037 0.143 0.000 0.638 296 A CB -1.070 18.028 19.000 0.163 0.000 0.831 296 A HN 0.348 nan 8.150 nan 0.000 0.450 297 L N -1.036 120.279 121.223 0.154 0.000 2.083 297 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 297 L C 3.126 180.113 176.870 0.196 0.000 1.083 297 L CA 0.937 55.869 54.840 0.153 0.000 0.752 297 L CB -0.724 41.308 42.059 -0.045 0.000 0.899 297 L HN 0.506 nan 8.230 nan 0.000 0.433 298 A N -0.091 122.800 122.820 0.118 0.000 1.849 298 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 298 A C 2.246 179.891 177.584 0.103 0.000 1.202 298 A CA 1.744 53.839 52.037 0.097 0.000 0.629 298 A CB -0.601 18.442 19.000 0.070 0.000 0.834 298 A HN 0.418 nan 8.150 nan 0.000 0.447 299 Q N -1.644 118.223 119.800 0.111 0.000 2.030 299 Q HA -0.259 4.081 4.340 -0.000 0.000 0.204 299 Q C 1.915 177.982 176.000 0.112 0.000 0.986 299 Q CA 1.887 57.745 55.803 0.092 0.000 0.843 299 Q CB -0.822 27.973 28.738 0.095 0.000 0.904 299 Q HN 0.891 nan 8.270 nan 0.000 0.420 300 W N 1.480 122.788 121.300 0.013 0.000 2.304 300 W HA -0.246 4.414 4.660 -0.000 0.000 0.315 300 W C 2.086 178.607 176.519 0.004 0.000 1.233 300 W CA 1.942 59.294 57.345 0.012 0.000 1.261 300 W CB -0.514 28.958 29.460 0.020 0.000 1.150 300 W HN -0.085 nan 8.180 nan 0.000 0.494 301 V N 1.593 121.500 119.914 -0.010 0.000 2.216 301 V HA -0.301 3.819 4.120 -0.000 0.000 0.243 301 V C 2.394 178.336 176.094 -0.253 0.000 1.044 301 V CA 2.610 64.765 62.300 -0.242 0.000 0.995 301 V CB -1.429 30.404 31.823 0.016 0.000 0.633 301 V HN 0.313 nan 8.190 nan 0.000 0.446 302 L N 0.829 121.985 121.223 -0.112 0.000 2.549 302 L HA 0.028 4.368 4.340 -0.000 0.000 0.229 302 L C 1.809 178.614 176.870 -0.109 0.000 1.158 302 L CA 2.003 56.784 54.840 -0.098 0.000 0.842 302 L CB -1.368 40.666 42.059 -0.042 0.000 0.952 302 L HN 0.377 nan 8.230 nan 0.000 0.452 303 S N -2.900 112.717 115.700 -0.139 0.000 2.575 303 S HA 0.237 4.707 4.470 -0.000 0.000 0.237 303 S C 0.832 175.313 174.600 -0.198 0.000 0.975 303 S CA -0.683 57.441 58.200 -0.126 0.000 0.960 303 S CB -0.239 62.917 63.200 -0.073 0.000 0.822 303 S HN 0.406 nan 8.310 nan 0.000 0.472 304 Q N 1.694 121.316 119.800 -0.297 0.000 2.471 304 Q HA 0.293 4.633 4.340 -0.000 0.000 0.223 304 Q C 0.475 176.352 176.000 -0.206 0.000 1.045 304 Q CA 0.264 55.855 55.803 -0.354 0.000 0.956 304 Q CB 0.882 29.324 28.738 -0.492 0.000 1.249 304 Q HN 0.448 nan 8.270 nan 0.000 0.549 305 D N -0.868 119.425 120.400 -0.179 0.000 2.652 305 D HA -0.002 4.638 4.640 -0.000 0.000 0.261 305 D C 0.471 176.717 176.300 -0.090 0.000 1.024 305 D CA 0.507 54.442 54.000 -0.108 0.000 0.958 305 D CB 0.310 41.061 40.800 -0.081 0.000 1.113 305 D HN 0.411 nan 8.370 nan 0.000 0.471 306 S N -0.472 115.172 115.700 -0.094 0.000 2.598 306 S HA 0.007 4.477 4.470 -0.000 0.000 0.256 306 S C 1.141 175.710 174.600 -0.052 0.000 1.350 306 S CA -0.018 58.144 58.200 -0.064 0.000 0.984 306 S CB 1.064 64.227 63.200 -0.062 0.000 0.930 306 S HN 0.177 nan 8.310 nan 0.000 0.577 307 E N 0.650 120.833 120.200 -0.028 0.000 2.022 307 E HA 0.209 4.559 4.350 -0.000 0.000 0.190 307 E C 0.104 176.708 176.600 0.007 0.000 0.973 307 E CA 0.445 56.837 56.400 -0.012 0.000 0.816 307 E CB -0.234 29.466 29.700 -0.000 0.000 0.781 307 E HN 0.664 nan 8.360 nan 0.000 0.456 308 L N 1.601 122.843 121.223 0.031 0.000 2.529 308 L HA 0.051 4.391 4.340 -0.000 0.000 0.287 308 L C 0.405 177.335 176.870 0.100 0.000 1.241 308 L CA 0.004 54.900 54.840 0.095 0.000 0.857 308 L CB -0.055 42.066 42.059 0.103 0.000 1.113 308 L HN 0.230 nan 8.230 nan 0.000 0.504 309 A N 5.401 128.340 122.820 0.199 0.000 2.388 309 A HA 0.531 4.851 4.320 -0.000 0.000 0.257 309 A C -2.054 175.631 177.584 0.168 0.000 1.095 309 A CA -1.272 50.834 52.037 0.115 0.000 0.791 309 A CB -0.076 18.962 19.000 0.064 0.000 1.029 309 A HN 0.510 nan 8.150 nan 0.000 0.489 310 P HA 0.192 nan 4.420 nan 0.000 0.270 310 P C -0.550 176.864 177.300 0.191 0.000 1.223 310 P CA -0.037 63.094 63.100 0.052 0.000 0.785 310 P CB 0.588 32.125 31.700 -0.271 0.000 0.923 311 M N 2.037 121.832 119.600 0.325 0.000 2.259 311 M HA 0.377 4.857 4.480 -0.000 0.000 0.304 311 M C -1.285 175.174 176.300 0.264 0.000 1.019 311 M CA -0.933 54.507 55.300 0.232 0.000 0.922 311 M CB 1.089 33.824 32.600 0.226 0.000 1.600 311 M HN 0.049 nan 8.290 nan 0.000 0.433 312 I N 3.822 124.511 120.570 0.197 0.000 2.297 312 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 312 I C -0.057 176.169 176.117 0.182 0.000 1.033 312 I CA -0.113 61.272 61.300 0.141 0.000 1.253 312 I CB 0.600 38.661 38.000 0.101 0.000 1.396 312 I HN 0.703 nan 8.210 nan 0.000 0.476 313 S N 4.747 120.521 115.700 0.124 0.000 2.454 313 S HA 0.701 5.171 4.470 -0.000 0.000 0.306 313 S C 0.518 175.204 174.600 0.143 0.000 1.100 313 S CA -0.272 58.026 58.200 0.163 0.000 1.087 313 S CB 1.759 65.036 63.200 0.129 0.000 1.019 313 S HN 0.687 nan 8.310 nan 0.000 0.480 314 A N 3.373 126.332 122.820 0.232 0.000 2.303 314 A HA 0.312 4.632 4.320 -0.000 0.000 0.217 314 A C 1.246 178.910 177.584 0.134 0.000 1.205 314 A CA 0.460 52.593 52.037 0.159 0.000 0.875 314 A CB -0.715 18.427 19.000 0.236 0.000 0.910 314 A HN 1.014 nan 8.150 nan 0.000 0.501 315 T N -0.385 114.253 114.554 0.140 0.000 2.906 315 T HA 0.466 4.816 4.350 -0.000 0.000 0.320 315 T C -0.080 174.676 174.700 0.093 0.000 1.088 315 T CA 0.530 62.698 62.100 0.113 0.000 1.120 315 T CB 0.645 69.588 68.868 0.125 0.000 1.000 315 T HN 1.351 nan 8.240 nan 0.000 0.550 316 A N 2.566 125.434 122.820 0.078 0.000 2.604 316 A HA 0.655 4.975 4.320 -0.000 0.000 0.295 316 A C 0.175 177.793 177.584 0.057 0.000 1.067 316 A CA -0.453 51.624 52.037 0.067 0.000 0.683 316 A CB 1.060 20.098 19.000 0.063 0.000 1.281 316 A HN 1.524 nan 8.150 nan 0.000 0.407 317 S N 0.358 116.089 115.700 0.052 0.000 2.589 317 S HA 0.348 4.818 4.470 -0.000 0.000 0.265 317 S C 1.555 176.177 174.600 0.036 0.000 1.342 317 S CA 0.494 58.719 58.200 0.042 0.000 1.005 317 S CB 0.441 63.665 63.200 0.039 0.000 0.909 317 S HN 1.929 nan 8.310 nan 0.000 0.555 318 T N -0.454 114.117 114.554 0.028 0.000 2.592 318 T HA -0.295 4.055 4.350 -0.000 0.000 0.267 318 T C 1.751 176.465 174.700 0.024 0.000 1.060 318 T CA 1.757 63.871 62.100 0.022 0.000 1.167 318 T CB -0.948 67.930 68.868 0.016 0.000 0.863 318 T HN 0.611 nan 8.240 nan 0.000 0.431 319 Q N 1.654 121.469 119.800 0.024 0.000 2.029 319 Q HA -0.124 4.216 4.340 -0.000 0.000 0.209 319 Q C 2.876 178.893 176.000 0.029 0.000 0.999 319 Q CA 2.281 58.098 55.803 0.023 0.000 0.857 319 Q CB -1.219 27.532 28.738 0.023 0.000 0.926 319 Q HN 0.773 nan 8.270 nan 0.000 0.415 320 A N 0.712 123.554 122.820 0.035 0.000 1.898 320 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 320 A C 2.167 179.782 177.584 0.052 0.000 1.181 320 A CA 1.370 53.433 52.037 0.043 0.000 0.620 320 A CB -0.680 18.348 19.000 0.047 0.000 0.819 320 A HN 0.327 nan 8.150 nan 0.000 0.442 321 L N 0.011 121.264 121.223 0.050 0.000 2.012 321 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 321 L C 2.613 179.515 176.870 0.053 0.000 1.073 321 L CA 2.189 57.062 54.840 0.054 0.000 0.748 321 L CB -1.093 40.993 42.059 0.045 0.000 0.891 321 L HN 0.409 nan 8.230 nan 0.000 0.431 322 A N 0.072 122.916 122.820 0.039 0.000 1.879 322 A HA -0.380 3.940 4.320 -0.000 0.000 0.222 322 A C 2.507 180.114 177.584 0.039 0.000 1.368 322 A CA 3.339 55.396 52.037 0.033 0.000 0.707 322 A CB -1.721 17.292 19.000 0.023 0.000 0.846 322 A HN 0.710 nan 8.150 nan 0.000 0.468 323 A N -0.743 122.100 122.820 0.038 0.000 1.948 323 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 323 A C 2.150 179.770 177.584 0.059 0.000 1.177 323 A CA 1.802 53.859 52.037 0.034 0.000 0.636 323 A CB -0.710 18.308 19.000 0.030 0.000 0.815 323 A HN 0.591 nan 8.150 nan 0.000 0.449 324 I N -0.366 120.269 120.570 0.107 0.000 2.286 324 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 324 I C 2.753 179.007 176.117 0.228 0.000 1.115 324 I CA 1.529 62.960 61.300 0.219 0.000 1.392 324 I CB -0.525 37.590 38.000 0.191 0.000 1.065 324 I HN 0.543 nan 8.210 nan 0.000 0.418 325 Q N 0.344 120.221 119.800 0.128 0.000 1.994 325 Q HA -0.236 4.104 4.340 -0.000 0.000 0.198 325 Q C 2.134 178.176 176.000 0.071 0.000 0.976 325 Q CA 1.146 57.012 55.803 0.105 0.000 0.828 325 Q CB -0.414 28.364 28.738 0.067 0.000 0.894 325 Q HN 0.512 nan 8.270 nan 0.000 0.432 326 Q N 0.631 120.453 119.800 0.037 0.000 2.268 326 Q HA -0.250 4.090 4.340 -0.000 0.000 0.210 326 Q C 2.012 177.991 176.000 -0.035 0.000 0.988 326 Q CA 1.795 57.600 55.803 0.003 0.000 0.883 326 Q CB 0.013 28.748 28.738 -0.003 0.000 0.911 326 Q HN 0.377 nan 8.270 nan 0.000 0.430 327 Q N -1.651 118.109 119.800 -0.066 0.000 2.349 327 Q HA -0.075 4.265 4.340 -0.000 0.000 0.209 327 Q C 0.673 176.478 176.000 -0.324 0.000 0.920 327 Q CA 0.697 56.357 55.803 -0.239 0.000 0.901 327 Q CB 0.382 28.899 28.738 -0.369 0.000 1.021 327 Q HN 0.408 nan 8.270 nan 0.000 0.519 328 Y N -0.978 119.330 120.300 0.013 0.000 2.526 328 Y HA 0.407 4.957 4.550 -0.000 0.000 0.265 328 Y C 0.353 176.266 175.900 0.021 0.000 1.092 328 Y CA 0.459 58.569 58.100 0.017 0.000 1.277 328 Y CB 1.838 40.311 38.460 0.021 0.000 1.228 328 Y HN 0.128 nan 8.280 nan 0.000 0.507 329 G N 0.560 109.461 108.800 0.168 0.000 3.445 329 G HA2 0.137 4.097 3.960 -0.000 0.000 0.686 329 G HA3 0.137 4.097 3.960 -0.000 0.000 0.686 329 G C 0.709 175.674 174.900 0.109 0.000 1.113 329 G CA -0.343 44.824 45.100 0.111 0.000 0.974 329 G HN 0.513 nan 8.290 nan 0.000 0.492 330 A N 2.402 125.270 122.820 0.080 0.000 1.873 330 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 330 A C 2.956 180.578 177.584 0.064 0.000 1.269 330 A CA 3.880 55.957 52.037 0.066 0.000 0.671 330 A CB -1.284 17.743 19.000 0.045 0.000 0.842 330 A HN 2.511 nan 8.150 nan 0.000 0.460 331 T N -2.146 112.442 114.554 0.056 0.000 2.833 331 T HA -0.128 4.221 4.350 -0.000 0.000 0.269 331 T C 1.440 176.190 174.700 0.083 0.000 1.054 331 T CA 1.933 64.066 62.100 0.055 0.000 1.135 331 T CB -0.389 68.499 68.868 0.034 0.000 0.869 331 T HN 0.557 nan 8.240 nan 0.000 0.466 332 E N 1.547 121.802 120.200 0.092 0.000 2.170 332 E HA 0.377 4.727 4.350 -0.000 0.000 0.191 332 E C 2.493 179.150 176.600 0.095 0.000 0.981 332 E CA 0.844 57.318 56.400 0.123 0.000 0.830 332 E CB -0.647 29.122 29.700 0.115 0.000 0.775 332 E HN 0.673 nan 8.360 nan 0.000 0.470 333 A N 1.085 123.942 122.820 0.063 0.000 1.828 333 A HA -0.238 4.082 4.320 -0.000 0.000 0.215 333 A C 2.267 179.860 177.584 0.015 0.000 1.203 333 A CA 2.003 54.038 52.037 -0.003 0.000 0.614 333 A CB -1.086 17.928 19.000 0.024 0.000 0.844 333 A HN 0.230 nan 8.150 nan 0.000 0.445 334 S N -0.368 115.363 115.700 0.052 0.000 2.422 334 S HA -0.395 4.075 4.470 -0.000 0.000 0.248 334 S C 1.884 176.535 174.600 0.085 0.000 1.069 334 S CA 2.265 60.506 58.200 0.068 0.000 1.214 334 S CB -1.046 62.197 63.200 0.073 0.000 1.122 334 S HN 0.860 nan 8.310 nan 0.000 0.432 335 H N 2.257 121.336 119.070 0.015 0.000 2.289 335 H HA -0.122 4.434 4.556 -0.000 0.000 0.294 335 H C 2.169 177.501 175.328 0.006 0.000 1.095 335 H CA 2.174 58.229 56.048 0.012 0.000 1.256 335 H CB -0.967 28.801 29.762 0.009 0.000 1.359 335 H HN 0.338 nan 8.280 nan 0.000 0.487 336 A N 0.052 122.767 122.820 -0.175 0.000 1.883 336 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 336 A C 2.855 180.316 177.584 -0.206 0.000 1.186 336 A CA 2.082 53.964 52.037 -0.259 0.000 0.624 336 A CB -1.114 17.790 19.000 -0.160 0.000 0.822 336 A HN 0.347 nan 8.150 nan 0.000 0.444 337 V N 1.340 121.184 119.914 -0.117 0.000 2.223 337 V HA -0.323 3.797 4.120 -0.000 0.000 0.244 337 V C 2.697 178.809 176.094 0.030 0.000 1.045 337 V CA 2.447 64.703 62.300 -0.073 0.000 1.000 337 V CB -1.081 30.762 31.823 0.033 0.000 0.635 337 V HN 0.908 nan 8.190 nan 0.000 0.445 338 E N 1.333 121.599 120.200 0.110 0.000 2.085 338 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 338 E C 2.154 178.790 176.600 0.059 0.000 0.994 338 E CA 1.683 58.179 56.400 0.159 0.000 0.801 338 E CB -0.579 29.180 29.700 0.099 0.000 0.743 338 E HN 0.498 nan 8.360 nan 0.000 0.453 339 A N 1.650 124.419 122.820 -0.086 0.000 1.927 339 A HA -0.208 4.112 4.320 -0.000 0.000 0.220 339 A C 2.238 179.762 177.584 -0.100 0.000 1.185 339 A CA 1.810 53.753 52.037 -0.156 0.000 0.639 339 A CB -0.756 17.989 19.000 -0.425 0.000 0.820 339 A HN 0.347 nan 8.150 nan 0.000 0.451 340 L N -1.815 119.325 121.223 -0.139 0.000 1.973 340 L HA -0.004 4.336 4.340 -0.000 0.000 0.208 340 L C 2.218 179.001 176.870 -0.146 0.000 1.073 340 L CA 1.966 56.688 54.840 -0.198 0.000 0.746 340 L CB -0.852 40.991 42.059 -0.360 0.000 0.891 340 L HN 0.328 nan 8.230 nan 0.000 0.433 341 F N -0.200 119.695 119.950 -0.091 0.000 2.141 341 F HA -0.316 4.211 4.527 -0.000 0.000 0.300 341 F C 2.974 178.757 175.800 -0.028 0.000 1.079 341 F CA 1.776 59.746 58.000 -0.051 0.000 1.264 341 F CB -1.303 37.676 39.000 -0.035 0.000 1.011 341 F HN 0.290 nan 8.300 nan 0.000 0.487 342 S N 0.115 115.899 115.700 0.140 0.000 2.343 342 S HA -0.175 4.295 4.470 -0.000 0.000 0.219 342 S C 2.171 176.800 174.600 0.048 0.000 1.033 342 S CA 1.346 59.589 58.200 0.072 0.000 1.014 342 S CB -0.542 62.681 63.200 0.038 0.000 0.915 342 S HN 0.298 nan 8.310 nan 0.000 0.435 343 L N 0.948 122.182 121.223 0.019 0.000 2.042 343 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 343 L C 2.515 179.401 176.870 0.028 0.000 1.076 343 L CA 1.095 55.942 54.840 0.012 0.000 0.749 343 L CB -0.559 41.493 42.059 -0.012 0.000 0.893 343 L HN 0.362 nan 8.230 nan 0.000 0.432 344 L N -0.116 121.120 121.223 0.022 0.000 1.994 344 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 344 L C 2.623 179.570 176.870 0.129 0.000 1.071 344 L CA 2.142 57.010 54.840 0.046 0.000 0.745 344 L CB -0.889 41.173 42.059 0.005 0.000 0.892 344 L HN 0.176 nan 8.230 nan 0.000 0.431 345 A N -0.469 122.454 122.820 0.170 0.000 1.883 345 A HA -0.154 4.165 4.320 -0.000 0.000 0.217 345 A C 2.483 180.167 177.584 0.167 0.000 1.186 345 A CA 2.138 54.315 52.037 0.233 0.000 0.624 345 A CB -1.326 17.749 19.000 0.126 0.000 0.822 345 A HN 0.614 nan 8.150 nan 0.000 0.444 346 A N -0.010 122.861 122.820 0.085 0.000 1.903 346 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 346 A C 2.288 179.926 177.584 0.090 0.000 1.191 346 A CA 1.999 54.073 52.037 0.062 0.000 0.638 346 A CB -0.554 18.471 19.000 0.041 0.000 0.823 346 A HN 0.614 nan 8.150 nan 0.000 0.451 347 R N -1.301 119.255 120.500 0.094 0.000 2.057 347 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 347 R C 1.996 178.363 176.300 0.112 0.000 1.136 347 R CA 1.234 57.385 56.100 0.086 0.000 0.952 347 R CB -0.636 29.705 30.300 0.068 0.000 0.848 347 R HN 0.396 nan 8.270 nan 0.000 0.430 348 L N 1.134 122.445 121.223 0.148 0.000 2.089 348 L HA -0.240 4.100 4.340 -0.000 0.000 0.213 348 L C 2.489 179.478 176.870 0.198 0.000 1.079 348 L CA 2.043 56.969 54.840 0.142 0.000 0.758 348 L CB -0.999 41.145 42.059 0.141 0.000 0.891 348 L HN 0.224 nan 8.230 nan 0.000 0.433 349 A N -0.863 122.146 122.820 0.314 0.000 1.828 349 A HA -0.201 4.119 4.320 -0.000 0.000 0.215 349 A C 2.265 179.938 177.584 0.149 0.000 1.203 349 A CA 1.603 53.812 52.037 0.288 0.000 0.614 349 A CB -0.626 18.491 19.000 0.194 0.000 0.844 349 A HN 0.420 nan 8.150 nan 0.000 0.445 350 E N -0.743 119.521 120.200 0.106 0.000 2.160 350 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 350 E C 1.935 178.570 176.600 0.058 0.000 0.991 350 E CA 1.041 57.483 56.400 0.070 0.000 0.810 350 E CB -0.414 29.319 29.700 0.055 0.000 0.742 350 E HN 0.602 nan 8.360 nan 0.000 0.466 351 G N -0.106 108.730 108.800 0.060 0.000 2.776 351 G HA2 0.032 3.992 3.960 -0.000 0.000 0.209 351 G HA3 0.032 3.992 3.960 -0.000 0.000 0.209 351 G C 0.988 175.906 174.900 0.030 0.000 1.145 351 G CA 0.510 45.633 45.100 0.040 0.000 0.791 351 G HN 0.397 nan 8.290 nan 0.000 0.530 352 G N -0.501 108.328 108.800 0.048 0.000 2.141 352 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.195 352 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.195 352 G C 0.179 175.090 174.900 0.018 0.000 1.012 352 G CA -0.263 44.859 45.100 0.037 0.000 0.696 352 G HN 0.260 nan 8.290 nan 0.000 0.508 353 I N 0.582 121.163 120.570 0.019 0.000 2.581 353 I HA 0.361 4.531 4.170 -0.000 0.000 0.288 353 I C 1.352 177.485 176.117 0.027 0.000 1.047 353 I CA 0.596 61.846 61.300 -0.084 0.000 1.374 353 I CB 1.330 39.154 38.000 -0.294 0.000 1.423 353 I HN 0.102 nan 8.210 nan 0.000 0.549 354 T N 5.219 119.754 114.554 -0.032 0.000 3.098 354 T HA 0.187 4.537 4.350 -0.000 0.000 0.246 354 T C 0.732 175.532 174.700 0.168 0.000 0.983 354 T CA 0.126 62.287 62.100 0.102 0.000 1.094 354 T CB 0.392 69.271 68.868 0.019 0.000 1.035 354 T HN 0.432 nan 8.240 nan 0.000 0.456 355 R N 0.734 121.238 120.500 0.006 0.000 2.265 355 R HA 0.502 4.842 4.340 -0.000 0.000 0.319 355 R C -1.504 174.839 176.300 0.072 0.000 1.006 355 R CA -0.253 55.920 56.100 0.121 0.000 0.880 355 R CB 0.794 31.097 30.300 0.004 0.000 1.077 355 R HN 0.186 nan 8.270 nan 0.000 0.454 356 F N 3.742 123.803 119.950 0.184 0.000 2.430 356 F HA 0.389 4.916 4.527 -0.000 0.000 0.362 356 F C 0.078 175.897 175.800 0.031 0.000 1.103 356 F CA -0.669 57.384 58.000 0.089 0.000 1.045 356 F CB 1.093 40.124 39.000 0.052 0.000 1.276 356 F HN 0.282 nan 8.300 nan 0.000 0.444 357 I N 4.988 125.625 120.570 0.112 0.000 2.291 357 I HA 0.287 4.457 4.170 -0.000 0.000 0.292 357 I C -0.658 175.499 176.117 0.068 0.000 1.064 357 I CA -0.513 60.793 61.300 0.011 0.000 1.269 357 I CB 0.518 38.504 38.000 -0.024 0.000 1.418 357 I HN 0.170 nan 8.210 nan 0.000 0.485 358 V N 5.265 125.223 119.914 0.075 0.000 2.513 358 V HA 0.738 4.858 4.120 -0.000 0.000 0.299 358 V C 0.228 176.362 176.094 0.068 0.000 1.035 358 V CA -0.765 61.556 62.300 0.036 0.000 0.889 358 V CB 1.584 33.395 31.823 -0.020 0.000 0.988 358 V HN 0.740 nan 8.190 nan 0.000 0.440 359 A N 3.091 125.945 122.820 0.057 0.000 2.287 359 A HA 0.946 5.265 4.320 -0.000 0.000 0.317 359 A C 0.347 177.913 177.584 -0.030 0.000 1.220 359 A CA 0.035 52.107 52.037 0.058 0.000 0.835 359 A CB 0.723 19.854 19.000 0.218 0.000 1.180 359 A HN 2.193 nan 8.150 nan 0.000 0.500 360 G N 0.874 109.654 108.800 -0.033 0.000 3.014 360 G HA2 0.385 4.345 3.960 -0.000 0.000 0.683 360 G HA3 0.385 4.345 3.960 -0.000 0.000 0.683 360 G C 0.610 175.503 174.900 -0.012 0.000 1.271 360 G CA -0.120 44.960 45.100 -0.032 0.000 0.843 360 G HN 1.556 nan 8.290 nan 0.000 0.612 361 G N 0.379 109.193 108.800 0.023 0.000 2.433 361 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.216 361 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.216 361 G C 1.327 176.238 174.900 0.018 0.000 1.186 361 G CA 1.655 46.794 45.100 0.066 0.000 0.779 361 G HN 0.842 nan 8.290 nan 0.000 0.543 362 E N 0.255 120.451 120.200 -0.006 0.000 2.150 362 E HA -0.092 4.258 4.350 -0.000 0.000 0.193 362 E C 2.674 179.236 176.600 -0.064 0.000 0.985 362 E CA 1.436 57.819 56.400 -0.028 0.000 0.814 362 E CB -0.397 29.301 29.700 -0.004 0.000 0.752 362 E HN 0.425 nan 8.360 nan 0.000 0.466 363 T N 1.135 115.629 114.554 -0.100 0.000 2.737 363 T HA -0.096 4.254 4.350 -0.000 0.000 0.265 363 T C 2.245 176.852 174.700 -0.156 0.000 1.038 363 T CA 1.229 63.209 62.100 -0.201 0.000 1.144 363 T CB -0.259 68.379 68.868 -0.383 0.000 0.866 363 T HN 0.036 nan 8.240 nan 0.000 0.434 364 S N 1.244 116.889 115.700 -0.090 0.000 2.402 364 S HA -0.074 4.396 4.470 -0.000 0.000 0.233 364 S C 2.393 176.943 174.600 -0.083 0.000 1.030 364 S CA 1.201 59.386 58.200 -0.025 0.000 1.003 364 S CB -0.884 62.374 63.200 0.097 0.000 0.813 364 S HN 0.681 nan 8.310 nan 0.000 0.477 365 G N 1.100 109.793 108.800 -0.180 0.000 2.404 365 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.214 365 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.214 365 G C 1.448 176.226 174.900 -0.204 0.000 1.189 365 G CA 0.730 45.622 45.100 -0.346 0.000 0.789 365 G HN 0.408 nan 8.290 nan 0.000 0.533 366 V N 0.668 120.507 119.914 -0.125 0.000 2.380 366 V HA -0.198 3.922 4.120 -0.000 0.000 0.251 366 V C 3.037 179.095 176.094 -0.060 0.000 1.063 366 V CA 1.623 63.883 62.300 -0.068 0.000 1.055 366 V CB -0.372 31.440 31.823 -0.018 0.000 0.657 366 V HN 0.239 nan 8.190 nan 0.000 0.455 367 V N -0.594 119.274 119.914 -0.076 0.000 2.379 367 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 367 V C 2.523 178.544 176.094 -0.121 0.000 1.044 367 V CA 2.463 64.713 62.300 -0.084 0.000 1.036 367 V CB -0.869 30.902 31.823 -0.085 0.000 0.664 367 V HN 0.602 nan 8.190 nan 0.000 0.453 368 T N -0.580 113.914 114.554 -0.100 0.000 2.652 368 T HA -0.296 4.054 4.350 -0.000 0.000 0.267 368 T C 1.945 176.609 174.700 -0.060 0.000 1.039 368 T CA 1.974 64.040 62.100 -0.057 0.000 1.153 368 T CB -0.229 68.625 68.868 -0.023 0.000 0.863 368 T HN 0.491 nan 8.240 nan 0.000 0.428 369 Q N 0.564 120.314 119.800 -0.083 0.000 1.993 369 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 369 Q C 2.732 178.706 176.000 -0.043 0.000 0.984 369 Q CA 1.895 57.661 55.803 -0.063 0.000 0.837 369 Q CB -0.313 28.383 28.738 -0.069 0.000 0.902 369 Q HN 0.595 nan 8.270 nan 0.000 0.423 370 S N 0.389 116.064 115.700 -0.042 0.000 2.370 370 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 370 S C 1.850 176.426 174.600 -0.039 0.000 1.033 370 S CA 1.060 59.244 58.200 -0.027 0.000 1.011 370 S CB -0.393 62.801 63.200 -0.010 0.000 0.852 370 S HN 0.383 nan 8.310 nan 0.000 0.457 371 L N 0.894 122.070 121.223 -0.078 0.000 2.465 371 L HA 0.171 4.511 4.340 -0.000 0.000 0.224 371 L C 1.876 178.721 176.870 -0.041 0.000 1.145 371 L CA 0.524 55.307 54.840 -0.095 0.000 0.834 371 L CB -0.909 41.024 42.059 -0.209 0.000 0.944 371 L HN 0.703 nan 8.230 nan 0.000 0.451 372 G N 0.925 109.711 108.800 -0.023 0.000 2.160 372 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.244 372 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.244 372 G C -0.025 174.893 174.900 0.030 0.000 1.022 372 G CA -0.227 44.874 45.100 0.002 0.000 0.741 372 G HN 0.229 nan 8.290 nan 0.000 0.508 373 I N 1.252 121.844 120.570 0.037 0.000 2.441 373 I HA 0.402 4.572 4.170 -0.000 0.000 0.287 373 I C 1.806 177.969 176.117 0.078 0.000 1.049 373 I CA 0.801 62.156 61.300 0.092 0.000 1.381 373 I CB 1.552 39.644 38.000 0.154 0.000 1.409 373 I HN 0.276 nan 8.210 nan 0.000 0.523 374 T N 1.144 115.739 114.554 0.069 0.000 3.000 374 T HA 0.480 4.830 4.350 -0.000 0.000 0.248 374 T C 0.655 175.295 174.700 -0.101 0.000 1.034 374 T CA 0.176 62.280 62.100 0.006 0.000 1.060 374 T CB 0.326 69.221 68.868 0.045 0.000 0.983 374 T HN 0.692 nan 8.240 nan 0.000 0.482 375 G N 0.698 109.416 108.800 -0.138 0.000 2.600 375 G HA2 0.605 4.565 3.960 -0.000 0.000 0.293 375 G HA3 0.605 4.565 3.960 -0.000 0.000 0.293 375 G C -1.990 172.742 174.900 -0.280 0.000 1.408 375 G CA -1.184 43.663 45.100 -0.421 0.000 0.782 375 G HN 0.445 nan 8.290 nan 0.000 0.482 376 F N -2.185 117.704 119.950 -0.102 0.000 2.741 376 F HA 0.593 5.120 4.527 -0.000 0.000 0.311 376 F C -0.628 175.086 175.800 -0.143 0.000 1.149 376 F CA -1.550 56.398 58.000 -0.087 0.000 0.930 376 F CB 1.105 40.107 39.000 0.003 0.000 1.312 376 F HN 0.488 nan 8.300 nan 0.000 0.450 377 H N 2.107 121.328 119.070 0.252 0.000 2.582 377 H HA 0.414 4.970 4.556 -0.000 0.000 0.345 377 H C -0.410 175.034 175.328 0.193 0.000 1.104 377 H CA -0.178 55.968 56.048 0.163 0.000 1.390 377 H CB 1.944 31.766 29.762 0.101 0.000 1.461 377 H HN 0.309 nan 8.280 nan 0.000 0.551 378 I N 2.762 123.489 120.570 0.262 0.000 2.315 378 I HA 0.147 4.317 4.170 -0.000 0.000 0.291 378 I C 1.236 177.442 176.117 0.149 0.000 1.006 378 I CA -0.007 61.400 61.300 0.178 0.000 1.265 378 I CB 0.847 38.918 38.000 0.119 0.000 1.387 378 I HN 0.607 nan 8.210 nan 0.000 0.475 379 G N 8.307 117.185 108.800 0.129 0.000 2.543 379 G HA2 0.645 4.604 3.960 -0.000 0.000 0.267 379 G HA3 0.645 4.604 3.960 -0.000 0.000 0.267 379 G C -2.744 172.233 174.900 0.129 0.000 1.406 379 G CA -0.839 44.350 45.100 0.148 0.000 1.048 379 G HN 0.354 nan 8.290 nan 0.000 0.548 380 P HA 0.330 nan 4.420 nan 0.000 0.278 380 P C -0.432 176.947 177.300 0.132 0.000 1.266 380 P CA -0.694 62.522 63.100 0.193 0.000 0.807 380 P CB 0.771 32.676 31.700 0.343 0.000 1.094 381 C N 0.758 120.119 119.300 0.101 0.000 2.593 381 C HA 0.186 4.646 4.460 -0.000 0.000 0.409 381 C C 2.341 177.434 174.990 0.172 0.000 1.304 381 C CA -0.077 58.958 59.018 0.028 0.000 2.007 381 C CB -1.378 26.346 27.740 -0.027 0.000 2.614 381 C HN 0.479 nan 8.230 nan 0.000 0.585 382 I N 2.296 122.852 120.570 -0.023 0.000 2.286 382 I HA -0.050 4.120 4.170 -0.000 0.000 0.245 382 I C 1.397 177.593 176.117 0.131 0.000 1.104 382 I CA 1.624 62.971 61.300 0.077 0.000 1.397 382 I CB -0.332 37.497 38.000 -0.284 0.000 1.072 382 I HN 0.857 nan 8.210 nan 0.000 0.417 383 S N -1.419 114.327 115.700 0.076 0.000 2.547 383 S HA 0.505 4.975 4.470 -0.000 0.000 0.270 383 S C -2.903 171.658 174.600 -0.065 0.000 1.150 383 S CA -1.435 56.791 58.200 0.043 0.000 0.850 383 S CB 1.374 64.633 63.200 0.097 0.000 1.118 383 S HN -0.250 nan 8.310 nan 0.000 0.461 384 P HA 0.125 nan 4.420 nan 0.000 0.255 384 P C 1.158 178.299 177.300 -0.266 0.000 1.123 384 P CA 2.380 65.380 63.100 -0.167 0.000 0.766 384 P CB -0.478 31.188 31.700 -0.057 0.000 0.705 385 G N 1.749 110.261 108.800 -0.479 0.000 2.493 385 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.206 385 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.206 385 G C -0.313 174.198 174.900 -0.648 0.000 1.109 385 G CA -0.104 44.468 45.100 -0.881 0.000 0.689 385 G HN 0.572 nan 8.290 nan 0.000 0.516 386 V N 4.003 123.673 119.914 -0.408 0.000 2.447 386 V HA 0.653 4.773 4.120 -0.000 0.000 0.292 386 V C -2.297 173.664 176.094 -0.222 0.000 1.021 386 V CA -0.987 61.144 62.300 -0.283 0.000 0.850 386 V CB 2.494 34.192 31.823 -0.209 0.000 1.005 386 V HN 0.372 nan 8.190 nan 0.000 0.426 387 P HA 0.382 nan 4.420 nan 0.000 0.289 387 P C -0.996 176.118 177.300 -0.310 0.000 1.302 387 P CA -1.114 61.852 63.100 -0.222 0.000 0.923 387 P CB 1.497 33.117 31.700 -0.133 0.000 1.238 388 W N 0.607 121.730 121.300 -0.295 0.000 2.181 388 W HA 0.369 5.029 4.660 -0.000 0.000 0.335 388 W C -0.080 176.306 176.519 -0.222 0.000 1.310 388 W CA 0.282 57.433 57.345 -0.322 0.000 1.226 388 W CB 0.686 29.861 29.460 -0.475 0.000 1.155 388 W HN 0.000 nan 8.180 nan 0.000 0.565 389 V N 4.579 124.562 119.914 0.115 0.000 2.760 389 V HA 0.297 4.417 4.120 -0.000 0.000 0.309 389 V C -0.684 175.426 176.094 0.027 0.000 1.077 389 V CA -1.148 61.123 62.300 -0.048 0.000 0.910 389 V CB 1.976 33.497 31.823 -0.503 0.000 1.008 389 V HN 0.423 nan 8.190 nan 0.000 0.424 390 N N 3.194 121.971 118.700 0.128 0.000 2.417 390 N HA 0.624 5.364 4.740 -0.000 0.000 0.274 390 N C 0.054 175.697 175.510 0.223 0.000 0.987 390 N CA -0.193 52.943 53.050 0.144 0.000 0.912 390 N CB 2.139 40.702 38.487 0.128 0.000 1.177 390 N HN 0.867 nan 8.380 nan 0.000 0.490 391 A N 1.714 124.638 122.820 0.172 0.000 2.507 391 A HA 0.024 4.344 4.320 -0.000 0.000 0.235 391 A C 1.226 178.878 177.584 0.114 0.000 1.070 391 A CA -0.003 52.147 52.037 0.189 0.000 0.768 391 A CB 0.269 19.349 19.000 0.133 0.000 1.011 391 A HN 0.611 nan 8.150 nan 0.000 0.502 392 L N 0.232 121.439 121.223 -0.026 0.000 2.209 392 L HA 0.047 4.387 4.340 -0.000 0.000 0.207 392 L C 1.773 178.421 176.870 -0.371 0.000 1.094 392 L CA 2.110 56.791 54.840 -0.266 0.000 0.790 392 L CB -1.255 40.453 42.059 -0.586 0.000 0.932 392 L HN 0.952 nan 8.230 nan 0.000 0.447 393 H N -2.198 116.923 119.070 0.085 0.000 2.179 393 H HA 0.443 4.999 4.556 -0.000 0.000 0.246 393 H C 0.955 176.319 175.328 0.060 0.000 0.904 393 H CA 0.144 56.230 56.048 0.063 0.000 1.113 393 H CB -0.075 29.712 29.762 0.043 0.000 1.396 393 H HN 0.127 nan 8.280 nan 0.000 0.484 394 A N 3.124 126.049 122.820 0.174 0.000 2.540 394 A HA 0.127 4.447 4.320 -0.000 0.000 0.239 394 A C -1.999 175.640 177.584 0.091 0.000 1.061 394 A CA -0.819 51.283 52.037 0.108 0.000 0.758 394 A CB -0.310 18.738 19.000 0.080 0.000 0.991 394 A HN 0.215 nan 8.150 nan 0.000 0.502 395 P HA 0.355 nan 4.420 nan 0.000 0.247 395 P C -0.948 176.398 177.300 0.076 0.000 1.756 395 P CA 0.169 63.311 63.100 0.070 0.000 1.117 395 P CB 0.124 31.860 31.700 0.059 0.000 1.869 396 V N 1.216 121.178 119.914 0.081 0.000 3.114 396 V HA 0.490 4.610 4.120 -0.000 0.000 0.308 396 V C -0.014 176.139 176.094 0.099 0.000 1.168 396 V CA -0.538 61.825 62.300 0.105 0.000 1.015 396 V CB 2.511 34.374 31.823 0.066 0.000 1.050 396 V HN 0.223 nan 8.190 nan 0.000 0.433 397 S N 2.565 118.353 115.700 0.147 0.000 2.536 397 S HA 0.891 5.361 4.470 -0.000 0.000 0.298 397 S C -1.398 173.394 174.600 0.319 0.000 1.083 397 S CA -0.498 57.796 58.200 0.157 0.000 0.995 397 S CB 1.662 64.851 63.200 -0.018 0.000 1.058 397 S HN 0.412 nan 8.310 nan 0.000 0.488 398 L N 1.865 123.257 121.223 0.282 0.000 2.431 398 L HA 0.752 5.092 4.340 -0.000 0.000 0.266 398 L C -0.475 176.352 176.870 -0.073 0.000 0.978 398 L CA -0.541 54.378 54.840 0.132 0.000 0.822 398 L CB 1.628 43.621 42.059 -0.109 0.000 1.310 398 L HN 0.790 nan 8.230 nan 0.000 0.409 399 A N 3.594 126.164 122.820 -0.417 0.000 2.285 399 A HA 0.776 5.096 4.320 -0.000 0.000 0.310 399 A C -1.312 176.094 177.584 -0.298 0.000 1.266 399 A CA -0.354 51.240 52.037 -0.738 0.000 0.832 399 A CB 0.429 18.554 19.000 -1.457 0.000 1.163 399 A HN 0.447 nan 8.150 nan 0.000 0.499 400 L N 3.082 124.169 121.223 -0.228 0.000 2.294 400 L HA 0.438 4.778 4.340 -0.000 0.000 0.283 400 L C 0.105 176.920 176.870 -0.092 0.000 1.015 400 L CA -0.056 54.722 54.840 -0.105 0.000 0.831 400 L CB 1.255 43.271 42.059 -0.072 0.000 1.217 400 L HN 0.595 nan 8.230 nan 0.000 0.420 401 K N 2.374 122.730 120.400 -0.073 0.000 2.206 401 K HA 0.644 4.964 4.320 -0.000 0.000 0.264 401 K C -0.631 175.932 176.600 -0.062 0.000 0.967 401 K CA -0.190 55.996 56.287 -0.169 0.000 0.844 401 K CB 1.726 33.985 32.500 -0.401 0.000 1.099 401 K HN 0.653 nan 8.250 nan 0.000 0.441 402 S N 1.642 117.365 115.700 0.038 0.000 2.513 402 S HA 0.651 5.121 4.470 -0.000 0.000 0.299 402 S C 0.750 175.370 174.600 0.033 0.000 1.087 402 S CA 0.015 58.273 58.200 0.097 0.000 1.012 402 S CB 1.562 64.880 63.200 0.197 0.000 1.044 402 S HN 0.882 nan 8.310 nan 0.000 0.485 403 G N 3.291 112.060 108.800 -0.052 0.000 2.700 403 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.350 403 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.350 403 G C 0.471 175.236 174.900 -0.225 0.000 1.250 403 G CA 0.798 45.812 45.100 -0.143 0.000 0.978 403 G HN 0.823 nan 8.290 nan 0.000 0.551 404 N N 0.913 119.381 118.700 -0.387 0.000 2.279 404 N HA 0.270 5.010 4.740 -0.000 0.000 0.226 404 N C -0.125 175.151 175.510 -0.390 0.000 1.126 404 N CA 0.052 52.894 53.050 -0.347 0.000 0.846 404 N CB 0.006 38.318 38.487 -0.291 0.000 1.050 404 N HN 0.242 nan 8.380 nan 0.000 0.502 405 F N 1.121 120.957 119.950 -0.190 0.000 2.406 405 F HA 0.449 4.976 4.527 -0.000 0.000 0.327 405 F C 1.672 177.273 175.800 -0.332 0.000 1.153 405 F CA 0.052 57.916 58.000 -0.225 0.000 1.218 405 F CB 0.315 39.176 39.000 -0.231 0.000 1.215 405 F HN 0.090 nan 8.300 nan 0.000 0.570 406 G N 1.454 110.247 108.800 -0.011 0.000 2.781 406 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.683 406 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.683 406 G C -1.266 173.593 174.900 -0.069 0.000 1.390 406 G CA -0.536 44.514 45.100 -0.084 0.000 0.850 406 G HN 0.943 nan 8.290 nan 0.000 0.557 407 D N -0.898 119.479 120.400 -0.039 0.000 2.478 407 D HA 0.357 4.997 4.640 -0.000 0.000 0.263 407 D C 1.523 177.743 176.300 -0.133 0.000 1.153 407 D CA 0.078 54.032 54.000 -0.076 0.000 1.038 407 D CB 0.569 41.330 40.800 -0.065 0.000 1.120 407 D HN 0.806 nan 8.370 nan 0.000 0.564 408 E N -0.348 119.741 120.200 -0.185 0.000 2.153 408 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 408 E C 1.126 177.451 176.600 -0.459 0.000 0.988 408 E CA 1.439 57.687 56.400 -0.254 0.000 0.811 408 E CB -0.312 29.264 29.700 -0.207 0.000 0.746 408 E HN 0.368 nan 8.360 nan 0.000 0.466 409 S N -0.150 115.196 115.700 -0.591 0.000 2.720 409 S HA -0.020 4.450 4.470 -0.000 0.000 0.222 409 S C 1.289 175.767 174.600 -0.203 0.000 0.958 409 S CA -0.078 57.749 58.200 -0.621 0.000 0.943 409 S CB -0.705 62.176 63.200 -0.531 0.000 0.779 409 S HN 0.408 nan 8.310 nan 0.000 0.526 410 F N 2.743 122.492 119.950 -0.335 0.000 2.043 410 F HA -0.174 4.353 4.527 -0.000 0.000 0.297 410 F C 1.548 177.219 175.800 -0.214 0.000 1.118 410 F CA 1.564 59.376 58.000 -0.314 0.000 1.202 410 F CB -0.619 38.094 39.000 -0.478 0.000 0.965 410 F HN 0.235 nan 8.300 nan 0.000 0.482 411 F N 0.636 120.520 119.950 -0.110 0.000 2.202 411 F HA -0.205 4.322 4.527 -0.000 0.000 0.301 411 F C 2.320 177.977 175.800 -0.238 0.000 1.082 411 F CA 1.199 58.979 58.000 -0.368 0.000 1.313 411 F CB -1.098 37.517 39.000 -0.642 0.000 1.024 411 F HN 0.070 nan 8.300 nan 0.000 0.495 412 I N -0.645 120.037 120.570 0.186 0.000 2.235 412 I HA -0.184 3.986 4.170 -0.000 0.000 0.241 412 I C 2.459 178.628 176.117 0.086 0.000 1.085 412 I CA 0.864 62.306 61.300 0.236 0.000 1.378 412 I CB -0.521 37.628 38.000 0.249 0.000 1.076 412 I HN -0.021 nan 8.210 nan 0.000 0.415 413 R N 1.132 121.630 120.500 -0.004 0.000 2.105 413 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 413 R C 2.445 178.803 176.300 0.097 0.000 1.135 413 R CA 1.460 57.568 56.100 0.015 0.000 0.967 413 R CB -0.489 29.798 30.300 -0.021 0.000 0.861 413 R HN 0.374 nan 8.270 nan 0.000 0.442 414 A N 0.929 123.673 122.820 -0.127 0.000 1.986 414 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 414 A C 1.958 179.738 177.584 0.327 0.000 1.171 414 A CA 1.549 53.532 52.037 -0.089 0.000 0.640 414 A CB -0.282 18.384 19.000 -0.557 0.000 0.811 414 A HN 0.385 nan 8.150 nan 0.000 0.451 415 Q N -1.705 118.225 119.800 0.217 0.000 2.200 415 Q HA 0.082 4.422 4.340 -0.000 0.000 0.197 415 Q C 2.437 178.555 176.000 0.197 0.000 0.953 415 Q CA 0.651 56.584 55.803 0.215 0.000 0.851 415 Q CB -0.001 28.833 28.738 0.161 0.000 0.938 415 Q HN 0.581 nan 8.270 nan 0.000 0.488 416 R N 0.928 121.521 120.500 0.155 0.000 2.073 416 R HA -0.058 4.282 4.340 -0.000 0.000 0.229 416 R C 0.881 177.201 176.300 0.034 0.000 1.120 416 R CA 0.986 57.137 56.100 0.085 0.000 0.967 416 R CB 0.161 30.499 30.300 0.063 0.000 0.862 416 R HN 0.227 nan 8.270 nan 0.000 0.436 417 E N -0.639 119.566 120.200 0.008 0.000 2.321 417 E HA -0.026 4.324 4.350 -0.000 0.000 0.189 417 E C -0.180 175.996 176.600 -0.708 0.000 1.125 417 E CA 0.162 56.389 56.400 -0.289 0.000 1.005 417 E CB 0.327 29.805 29.700 -0.370 0.000 1.140 417 E HN 0.280 nan 8.360 nan 0.000 0.457 418 F N -1.090 118.866 119.950 0.010 0.000 2.764 418 F HA 0.101 4.628 4.527 -0.000 0.000 0.342 418 F C 1.165 176.896 175.800 -0.115 0.000 0.873 418 F CA -0.469 57.479 58.000 -0.087 0.000 1.086 418 F CB 0.366 39.218 39.000 -0.247 0.000 0.937 418 F HN -0.063 nan 8.300 nan 0.000 0.623 419 Q N 0.000 119.832 119.800 0.054 0.000 2.315 419 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 419 Q CA 0.000 55.817 55.803 0.023 0.000 1.022 419 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 419 Q HN 0.000 nan 8.270 nan 0.000 0.481