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 2vhw_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRVGIPTETK NNEFRVAITP AGVAELTRRG HEVLIQAGAG EGSAITDADF DATA SEQUENCE KAAGAQLVGT ADQVWADADL LLKVKEPIAA EYGRLRHGQI LFTFLHLAAS DATA SEQUENCE RACTDALLDS GTTSIAYETV QTADGALPLL APMSEVAGRL AAQVGAYHLM DATA SEQUENCE RTQGGRGVLM GGVPGVEPAD VVVIGAGTAG YNAARIANGM GATVTVLDIN DATA SEQUENCE IDKLRQLDAE FCGRIHTRYS SAYELEGAVK RADLVIGAVL VPGAKAPKLV DATA SEQUENCE SNSLVAHMKP GAVLVDIAID QGGCFEGSRP TTYDHPTFAV HDTLFYCVAN DATA SEQUENCE MPASVPKTST YALTNATMPY VLELADHGWR AACRSNPALA KGLSTHEGAL DATA SEQUENCE LSERVATDLG VPFTEPASVL 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 0.000 176.380 176.300 0.133 0.000 1.140 1 M CA 0.000 55.405 55.300 0.175 0.000 0.988 1 M CB 0.000 32.644 32.600 0.074 0.000 1.302 2 R N 0.810 121.339 120.500 0.049 0.000 2.294 2 R HA 0.760 5.100 4.340 -0.000 0.000 0.319 2 R C -1.305 174.980 176.300 -0.025 0.000 0.984 2 R CA -0.639 55.471 56.100 0.018 0.000 0.861 2 R CB 1.818 32.124 30.300 0.011 0.000 1.104 2 R HN 0.481 nan 8.270 nan 0.000 0.451 3 V N 2.380 122.267 119.914 -0.044 0.000 2.384 3 V HA 0.646 4.766 4.120 -0.000 0.000 0.287 3 V C 0.426 176.461 176.094 -0.098 0.000 1.020 3 V CA -0.783 61.470 62.300 -0.078 0.000 0.850 3 V CB 1.811 33.582 31.823 -0.087 0.000 0.987 3 V HN 0.914 nan 8.190 nan 0.000 0.436 4 G N 4.262 112.983 108.800 -0.132 0.000 2.416 4 G HA2 0.749 4.709 3.960 -0.000 0.000 0.329 4 G HA3 0.749 4.709 3.960 -0.000 0.000 0.329 4 G C -1.231 173.529 174.900 -0.233 0.000 1.173 4 G CA -0.468 44.524 45.100 -0.179 0.000 0.929 4 G HN 0.551 nan 8.290 nan 0.000 0.475 5 I N 3.797 124.225 120.570 -0.237 0.000 2.476 5 I HA 0.330 4.500 4.170 -0.000 0.000 0.281 5 I C -2.193 173.795 176.117 -0.216 0.000 1.040 5 I CA -1.892 59.266 61.300 -0.236 0.000 1.094 5 I CB 2.658 40.520 38.000 -0.231 0.000 1.219 5 I HN 0.279 nan 8.210 nan 0.000 0.450 6 P HA 0.303 nan 4.420 nan 0.000 0.280 6 P C -0.446 176.842 177.300 -0.020 0.000 1.272 6 P CA -0.427 62.605 63.100 -0.112 0.000 0.819 6 P CB 0.718 32.343 31.700 -0.125 0.000 1.122 7 T N 1.448 116.029 114.554 0.045 0.000 2.919 7 T HA 0.094 4.444 4.350 -0.000 0.000 0.302 7 T C 0.404 175.157 174.700 0.089 0.000 1.031 7 T CA -0.183 61.962 62.100 0.074 0.000 1.127 7 T CB -0.033 68.887 68.868 0.088 0.000 0.952 7 T HN 0.309 nan 8.240 nan 0.000 0.540 8 E N 2.128 122.379 120.200 0.085 0.000 2.392 8 E HA 0.097 4.447 4.350 -0.000 0.000 0.264 8 E C 1.092 177.733 176.600 0.069 0.000 1.024 8 E CA 0.143 56.591 56.400 0.081 0.000 0.903 8 E CB 0.902 30.643 29.700 0.069 0.000 0.963 8 E HN 0.848 nan 8.360 nan 0.000 0.432 9 T N -0.916 113.674 114.554 0.061 0.000 2.975 9 T HA 0.144 4.494 4.350 -0.000 0.000 0.257 9 T C 0.736 175.439 174.700 0.005 0.000 1.003 9 T CA -0.315 61.808 62.100 0.039 0.000 0.932 9 T CB 0.556 69.452 68.868 0.048 0.000 1.087 9 T HN 0.104 nan 8.240 nan 0.000 0.512 10 K N 2.281 122.680 120.400 -0.001 0.000 2.355 10 K HA 0.242 4.562 4.320 -0.000 0.000 0.270 10 K C 0.107 176.667 176.600 -0.067 0.000 1.003 10 K CA -0.360 55.913 56.287 -0.024 0.000 0.957 10 K CB 0.334 32.829 32.500 -0.008 0.000 0.939 10 K HN 0.157 nan 8.250 nan 0.000 0.482 11 N N 2.037 120.699 118.700 -0.063 0.000 2.412 11 N HA -0.090 4.650 4.740 -0.000 0.000 0.258 11 N C -0.591 174.819 175.510 -0.167 0.000 1.236 11 N CA 1.012 54.011 53.050 -0.085 0.000 0.882 11 N CB 0.046 38.510 38.487 -0.038 0.000 1.066 11 N HN 0.718 nan 8.380 nan 0.000 0.465 12 N N -0.677 117.829 118.700 -0.323 0.000 2.778 12 N HA -0.272 4.468 4.740 -0.000 0.000 0.249 12 N C -1.326 173.594 175.510 -0.982 0.000 1.069 12 N CA 0.720 53.344 53.050 -0.710 0.000 0.831 12 N CB -0.641 37.708 38.487 -0.231 0.000 1.142 12 N HN 0.620 nan 8.380 nan 0.000 0.573 13 E N 0.203 120.039 120.200 -0.606 0.000 2.052 13 E HA 0.261 4.611 4.350 -0.000 0.000 0.283 13 E C -0.238 176.169 176.600 -0.321 0.000 1.071 13 E CA 0.013 56.191 56.400 -0.370 0.000 0.851 13 E CB 0.020 29.650 29.700 -0.116 0.000 1.066 13 E HN 0.312 nan 8.360 nan 0.000 0.396 14 F N 2.486 122.462 119.950 0.044 0.000 2.682 14 F HA 0.317 4.844 4.527 -0.000 0.000 0.308 14 F C 1.144 176.978 175.800 0.056 0.000 1.093 14 F CA -0.617 57.405 58.000 0.037 0.000 1.244 14 F CB 0.471 39.475 39.000 0.007 0.000 1.052 14 F HN 0.096 nan 8.300 nan 0.000 0.573 15 R N 0.577 121.202 120.500 0.208 0.000 2.649 15 R HA 0.464 4.804 4.340 -0.000 0.000 0.270 15 R C -0.647 175.738 176.300 0.142 0.000 1.105 15 R CA -0.295 55.906 56.100 0.168 0.000 1.193 15 R CB 1.510 31.901 30.300 0.151 0.000 1.120 15 R HN -0.036 nan 8.270 nan 0.000 0.561 16 V N -0.124 119.863 119.914 0.122 0.000 3.007 16 V HA 0.486 4.606 4.120 -0.000 0.000 0.311 16 V C -0.271 175.862 176.094 0.065 0.000 1.120 16 V CA -0.341 62.022 62.300 0.104 0.000 0.980 16 V CB 2.092 34.011 31.823 0.160 0.000 1.033 16 V HN 0.881 nan 8.190 nan 0.000 0.429 17 A N 5.376 128.215 122.820 0.032 0.000 2.278 17 A HA 0.545 4.865 4.320 -0.000 0.000 0.212 17 A C 0.325 177.895 177.584 -0.022 0.000 1.213 17 A CA 0.472 52.516 52.037 0.012 0.000 0.840 17 A CB -0.474 18.533 19.000 0.011 0.000 0.866 17 A HN 0.813 nan 8.150 nan 0.000 0.489 18 I N -1.182 119.381 120.570 -0.012 0.000 3.004 18 I HA 0.379 4.549 4.170 -0.000 0.000 0.305 18 I C -0.453 175.723 176.117 0.097 0.000 1.312 18 I CA -0.463 60.832 61.300 -0.007 0.000 0.992 18 I CB 2.429 40.396 38.000 -0.055 0.000 1.282 18 I HN 0.167 nan 8.210 nan 0.000 0.449 19 T N 1.272 115.853 114.554 0.045 0.000 2.940 19 T HA 0.548 4.898 4.350 -0.000 0.000 0.288 19 T C -2.391 172.436 174.700 0.211 0.000 1.045 19 T CA -1.809 60.309 62.100 0.029 0.000 1.018 19 T CB 1.807 70.421 68.868 -0.424 0.000 1.151 19 T HN 0.280 nan 8.240 nan 0.000 0.529 20 P HA -0.105 nan 4.420 nan 0.000 0.217 20 P C 1.656 179.027 177.300 0.119 0.000 1.151 20 P CA 1.796 64.994 63.100 0.163 0.000 0.849 20 P CB -0.295 31.431 31.700 0.044 0.000 0.787 21 A N -0.350 122.524 122.820 0.090 0.000 1.908 21 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 21 A C 2.495 180.116 177.584 0.062 0.000 1.181 21 A CA 2.166 54.249 52.037 0.076 0.000 0.627 21 A CB -1.849 17.203 19.000 0.087 0.000 0.818 21 A HN 0.297 nan 8.150 nan 0.000 0.445 22 G N -0.802 108.029 108.800 0.052 0.000 2.408 22 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.217 22 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.217 22 G C 1.492 176.420 174.900 0.047 0.000 1.150 22 G CA 1.096 46.220 45.100 0.040 0.000 0.776 22 G HN 0.307 nan 8.290 nan 0.000 0.542 23 V N 1.686 121.642 119.914 0.069 0.000 2.287 23 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 23 V C 3.349 179.481 176.094 0.063 0.000 1.053 23 V CA 2.109 64.447 62.300 0.063 0.000 1.027 23 V CB -0.950 30.942 31.823 0.114 0.000 0.646 23 V HN 0.464 nan 8.190 nan 0.000 0.447 24 A N -0.132 122.731 122.820 0.071 0.000 1.908 24 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 24 A C 2.200 179.812 177.584 0.048 0.000 1.181 24 A CA 2.233 54.304 52.037 0.056 0.000 0.627 24 A CB -0.543 18.490 19.000 0.054 0.000 0.818 24 A HN 0.567 nan 8.150 nan 0.000 0.445 25 E N 0.068 120.297 120.200 0.049 0.000 2.072 25 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 25 E C 1.838 178.477 176.600 0.064 0.000 0.985 25 E CA 1.116 57.544 56.400 0.047 0.000 0.801 25 E CB -0.412 29.313 29.700 0.042 0.000 0.750 25 E HN 0.586 nan 8.360 nan 0.000 0.452 26 L N -0.174 121.094 121.223 0.074 0.000 2.046 26 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 26 L C 2.461 179.413 176.870 0.138 0.000 1.077 26 L CA 1.754 56.671 54.840 0.129 0.000 0.747 26 L CB -0.568 41.536 42.059 0.076 0.000 0.896 26 L HN 0.202 nan 8.230 nan 0.000 0.432 27 T N -1.163 113.435 114.554 0.074 0.000 2.821 27 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 27 T C 2.025 176.731 174.700 0.010 0.000 1.046 27 T CA 1.039 63.164 62.100 0.041 0.000 1.139 27 T CB -0.157 68.732 68.868 0.036 0.000 0.871 27 T HN 0.230 nan 8.240 nan 0.000 0.454 28 R N 0.882 121.392 120.500 0.016 0.000 2.120 28 R HA 0.005 4.344 4.340 -0.000 0.000 0.234 28 R C 2.057 178.342 176.300 -0.026 0.000 1.123 28 R CA 1.138 57.238 56.100 -0.000 0.000 0.975 28 R CB -0.005 30.302 30.300 0.012 0.000 0.866 28 R HN 0.290 nan 8.270 nan 0.000 0.446 29 R N -1.059 119.427 120.500 -0.024 0.000 2.313 29 R HA 0.063 4.402 4.340 -0.000 0.000 0.199 29 R C 0.846 176.974 176.300 -0.286 0.000 0.958 29 R CA 0.608 56.654 56.100 -0.091 0.000 1.047 29 R CB 0.540 30.846 30.300 0.011 0.000 0.955 29 R HN 0.505 nan 8.270 nan 0.000 0.481 30 G N 0.715 109.376 108.800 -0.231 0.000 2.159 30 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.227 30 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.227 30 G C -0.114 174.597 174.900 -0.315 0.000 0.986 30 G CA -0.402 44.538 45.100 -0.265 0.000 0.651 30 G HN 0.360 nan 8.290 nan 0.000 0.523 31 H N 0.928 119.983 119.070 -0.025 0.000 2.505 31 H HA 0.453 5.009 4.556 -0.000 0.000 0.351 31 H C 0.280 175.595 175.328 -0.021 0.000 1.151 31 H CA -0.007 56.026 56.048 -0.026 0.000 1.339 31 H CB 0.909 30.653 29.762 -0.029 0.000 1.483 31 H HN 0.467 nan 8.280 nan 0.000 0.558 32 E N 1.250 121.512 120.200 0.104 0.000 2.249 32 E HA 0.325 4.675 4.350 -0.000 0.000 0.280 32 E C -0.662 175.956 176.600 0.030 0.000 1.016 32 E CA -0.639 55.789 56.400 0.046 0.000 0.830 32 E CB 1.611 31.327 29.700 0.027 0.000 1.081 32 E HN 0.171 nan 8.360 nan 0.000 0.395 33 V N 4.925 124.840 119.914 0.002 0.000 2.409 33 V HA 0.302 4.421 4.120 -0.000 0.000 0.291 33 V C -0.351 175.704 176.094 -0.066 0.000 1.020 33 V CA -0.705 61.571 62.300 -0.040 0.000 0.848 33 V CB 0.859 32.654 31.823 -0.047 0.000 0.990 33 V HN 0.504 nan 8.190 nan 0.000 0.430 34 L N 6.412 127.583 121.223 -0.087 0.000 2.313 34 L HA 0.670 5.010 4.340 -0.000 0.000 0.283 34 L C -0.673 176.108 176.870 -0.148 0.000 1.013 34 L CA -0.344 54.441 54.840 -0.090 0.000 0.816 34 L CB 1.589 43.610 42.059 -0.063 0.000 1.236 34 L HN 0.465 nan 8.230 nan 0.000 0.419 35 I N 2.628 123.103 120.570 -0.158 0.000 2.498 35 I HA 0.245 4.415 4.170 -0.000 0.000 0.290 35 I C -0.147 175.903 176.117 -0.112 0.000 1.032 35 I CA -0.562 60.605 61.300 -0.220 0.000 1.073 35 I CB 2.375 40.102 38.000 -0.455 0.000 1.251 35 I HN 0.653 nan 8.210 nan 0.000 0.426 36 Q N 4.450 124.200 119.800 -0.083 0.000 2.311 36 Q HA 0.351 4.691 4.340 -0.000 0.000 0.272 36 Q C 0.024 176.037 176.000 0.021 0.000 1.012 36 Q CA -0.496 55.300 55.803 -0.012 0.000 0.891 36 Q CB 1.153 29.900 28.738 0.015 0.000 1.201 36 Q HN 0.778 nan 8.270 nan 0.000 0.391 37 A N 3.346 126.190 122.820 0.040 0.000 2.580 37 A HA 0.323 4.643 4.320 -0.000 0.000 0.244 37 A C 1.209 178.841 177.584 0.080 0.000 1.045 37 A CA 0.831 52.907 52.037 0.065 0.000 0.761 37 A CB -0.657 18.375 19.000 0.054 0.000 0.962 37 A HN 1.329 nan 8.150 nan 0.000 0.512 38 G N 1.008 109.873 108.800 0.108 0.000 2.176 38 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.253 38 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.253 38 G C 1.219 176.200 174.900 0.136 0.000 0.979 38 G CA 1.090 46.255 45.100 0.109 0.000 0.641 38 G HN 2.033 nan 8.290 nan 0.000 0.530 39 A N 0.221 123.133 122.820 0.152 0.000 1.978 39 A HA 0.336 4.656 4.320 -0.000 0.000 0.220 39 A C 2.549 180.269 177.584 0.226 0.000 1.170 39 A CA 2.318 54.446 52.037 0.151 0.000 0.636 39 A CB -0.602 18.439 19.000 0.069 0.000 0.810 39 A HN 1.625 nan 8.150 nan 0.000 0.448 40 G N -1.282 107.725 108.800 0.346 0.000 3.088 40 G HA2 0.144 4.104 3.960 -0.000 0.000 0.217 40 G HA3 0.144 4.104 3.960 -0.000 0.000 0.217 40 G C 1.119 176.086 174.900 0.111 0.000 1.159 40 G CA 0.513 45.784 45.100 0.284 0.000 0.760 40 G HN 0.616 nan 8.290 nan 0.000 0.550 41 E N 0.509 120.772 120.200 0.104 0.000 2.110 41 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 41 E C 2.661 179.280 176.600 0.033 0.000 0.988 41 E CA 0.658 57.088 56.400 0.050 0.000 0.804 41 E CB -0.136 29.593 29.700 0.048 0.000 0.745 41 E HN 0.359 nan 8.360 nan 0.000 0.458 42 G N 0.401 109.249 108.800 0.080 0.000 2.462 42 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 42 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 42 G C 1.450 176.378 174.900 0.046 0.000 1.121 42 G CA 0.823 45.966 45.100 0.071 0.000 0.758 42 G HN 0.144 nan 8.290 nan 0.000 0.559 43 S N -0.129 115.619 115.700 0.080 0.000 2.568 43 S HA 0.507 4.977 4.470 -0.000 0.000 0.232 43 S C 1.244 175.883 174.600 0.064 0.000 0.975 43 S CA 0.520 58.775 58.200 0.092 0.000 0.949 43 S CB 0.380 63.656 63.200 0.127 0.000 0.829 43 S HN 1.297 nan 8.310 nan 0.000 0.479 44 A N 1.031 123.858 122.820 0.012 0.000 2.872 44 A HA -0.193 4.127 4.320 -0.000 0.000 0.273 44 A C 0.116 177.678 177.584 -0.037 0.000 1.442 44 A CA 0.596 52.624 52.037 -0.016 0.000 0.801 44 A CB -2.366 16.623 19.000 -0.019 0.000 1.031 44 A HN 0.534 nan 8.150 nan 0.000 0.582 45 I N 1.633 122.156 120.570 -0.078 0.000 2.330 45 I HA 0.389 4.559 4.170 -0.000 0.000 0.289 45 I C 1.035 177.019 176.117 -0.222 0.000 1.001 45 I CA 0.120 61.275 61.300 -0.242 0.000 1.193 45 I CB 1.719 39.412 38.000 -0.512 0.000 1.345 45 I HN 0.489 nan 8.210 nan 0.000 0.461 46 T N 0.034 114.480 114.554 -0.179 0.000 2.849 46 T HA 0.172 4.521 4.350 -0.000 0.000 0.284 46 T C 0.765 175.433 174.700 -0.053 0.000 1.004 46 T CA -0.602 61.451 62.100 -0.079 0.000 1.021 46 T CB 1.355 70.196 68.868 -0.045 0.000 1.013 46 T HN 0.445 nan 8.240 nan 0.000 0.527 47 D N 0.959 121.396 120.400 0.061 0.000 2.144 47 D HA -0.045 4.595 4.640 -0.000 0.000 0.199 47 D C 2.361 178.729 176.300 0.114 0.000 0.984 47 D CA 1.693 55.783 54.000 0.149 0.000 0.834 47 D CB -0.825 40.045 40.800 0.118 0.000 0.955 47 D HN 0.751 nan 8.370 nan 0.000 0.465 48 A N 1.252 124.103 122.820 0.051 0.000 1.908 48 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 48 A C 1.833 179.432 177.584 0.024 0.000 1.181 48 A CA 1.896 53.955 52.037 0.036 0.000 0.627 48 A CB -0.485 18.524 19.000 0.015 0.000 0.818 48 A HN 0.063 nan 8.150 nan 0.000 0.445 49 D N -0.773 119.607 120.400 -0.033 0.000 2.104 49 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 49 D C 1.723 178.011 176.300 -0.020 0.000 0.994 49 D CA 1.228 55.180 54.000 -0.080 0.000 0.830 49 D CB -0.506 40.172 40.800 -0.204 0.000 0.959 49 D HN 0.604 nan 8.370 nan 0.000 0.452 50 F N 0.947 120.908 119.950 0.019 0.000 2.146 50 F HA -0.118 4.409 4.527 -0.000 0.000 0.298 50 F C 2.547 178.354 175.800 0.012 0.000 1.096 50 F CA 0.694 58.701 58.000 0.012 0.000 1.275 50 F CB 0.070 39.075 39.000 0.008 0.000 1.008 50 F HN -0.130 nan 8.300 nan 0.000 0.480 51 K N 0.713 121.239 120.400 0.209 0.000 2.057 51 K HA -0.152 4.168 4.320 -0.000 0.000 0.206 51 K C 2.235 178.887 176.600 0.087 0.000 1.050 51 K CA 1.080 57.438 56.287 0.119 0.000 0.935 51 K CB -0.280 32.272 32.500 0.087 0.000 0.715 51 K HN 0.182 nan 8.250 nan 0.000 0.439 52 A N 1.036 123.900 122.820 0.075 0.000 1.948 52 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 52 A C 2.216 179.836 177.584 0.059 0.000 1.177 52 A CA 1.986 54.054 52.037 0.053 0.000 0.636 52 A CB -0.696 18.326 19.000 0.036 0.000 0.815 52 A HN 0.479 nan 8.150 nan 0.000 0.449 53 A N -2.352 120.520 122.820 0.086 0.000 2.167 53 A HA 0.387 4.707 4.320 -0.000 0.000 0.214 53 A C 1.797 179.428 177.584 0.077 0.000 1.151 53 A CA 1.482 53.573 52.037 0.090 0.000 0.735 53 A CB -0.608 18.471 19.000 0.132 0.000 0.802 53 A HN 1.850 nan 8.150 nan 0.000 0.467 54 G N -2.749 106.095 108.800 0.073 0.000 2.205 54 G HA2 0.222 4.182 3.960 -0.000 0.000 0.180 54 G HA3 0.222 4.182 3.960 -0.000 0.000 0.180 54 G C 0.328 175.252 174.900 0.040 0.000 1.004 54 G CA 0.036 45.165 45.100 0.050 0.000 0.670 54 G HN 1.385 nan 8.290 nan 0.000 0.496 55 A N 0.184 123.035 122.820 0.051 0.000 2.407 55 A HA 0.656 4.976 4.320 -0.000 0.000 0.248 55 A C 0.516 178.107 177.584 0.011 0.000 1.082 55 A CA 0.412 52.454 52.037 0.008 0.000 0.785 55 A CB 0.547 19.528 19.000 -0.033 0.000 1.020 55 A HN 0.539 nan 8.150 nan 0.000 0.489 56 Q N 1.764 121.557 119.800 -0.011 0.000 2.296 56 Q HA 0.469 4.809 4.340 -0.000 0.000 0.257 56 Q C -1.364 174.627 176.000 -0.014 0.000 0.942 56 Q CA -0.270 55.532 55.803 -0.003 0.000 0.939 56 Q CB 0.465 29.201 28.738 -0.003 0.000 1.198 56 Q HN 0.701 nan 8.270 nan 0.000 0.429 57 L N 4.089 125.317 121.223 0.008 0.000 2.305 57 L HA 0.412 4.752 4.340 -0.000 0.000 0.281 57 L C -0.562 176.315 176.870 0.012 0.000 1.085 57 L CA -0.556 54.291 54.840 0.012 0.000 0.813 57 L CB 1.401 43.487 42.059 0.045 0.000 1.157 57 L HN 0.374 nan 8.230 nan 0.000 0.436 58 V N 2.225 122.143 119.914 0.007 0.000 2.604 58 V HA 0.343 4.463 4.120 -0.000 0.000 0.305 58 V C 0.952 177.062 176.094 0.025 0.000 1.043 58 V CA -0.252 62.056 62.300 0.014 0.000 0.888 58 V CB 1.743 33.569 31.823 0.005 0.000 0.995 58 V HN 0.913 nan 8.190 nan 0.000 0.429 59 G N 2.994 111.812 108.800 0.031 0.000 2.408 59 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.217 59 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.217 59 G C 0.648 175.573 174.900 0.043 0.000 1.150 59 G CA 1.208 46.329 45.100 0.035 0.000 0.776 59 G HN 0.754 nan 8.290 nan 0.000 0.542 60 T N -3.874 110.709 114.554 0.048 0.000 2.908 60 T HA 0.675 5.025 4.350 -0.000 0.000 0.290 60 T C 1.249 176.003 174.700 0.091 0.000 1.034 60 T CA 0.191 62.328 62.100 0.062 0.000 1.010 60 T CB 2.059 70.960 68.868 0.056 0.000 1.068 60 T HN 0.220 nan 8.240 nan 0.000 0.481 61 A N 1.464 124.357 122.820 0.121 0.000 1.940 61 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 61 A C 1.924 179.688 177.584 0.300 0.000 1.176 61 A CA 1.831 54.002 52.037 0.224 0.000 0.631 61 A CB -1.044 18.102 19.000 0.244 0.000 0.814 61 A HN 0.903 nan 8.150 nan 0.000 0.446 62 D N -0.890 119.612 120.400 0.171 0.000 2.104 62 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 62 D C 2.064 178.463 176.300 0.166 0.000 0.994 62 D CA 1.684 55.769 54.000 0.142 0.000 0.830 62 D CB -0.381 40.457 40.800 0.063 0.000 0.959 62 D HN 0.703 nan 8.370 nan 0.000 0.452 63 Q N 0.323 120.195 119.800 0.120 0.000 2.084 63 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 63 Q C 2.168 178.224 176.000 0.092 0.000 0.978 63 Q CA 0.995 56.852 55.803 0.091 0.000 0.844 63 Q CB 0.141 28.914 28.738 0.059 0.000 0.898 63 Q HN 0.082 nan 8.270 nan 0.000 0.426 64 V N -0.242 119.725 119.914 0.089 0.000 2.255 64 V HA -0.286 3.834 4.120 -0.000 0.000 0.247 64 V C 1.756 177.866 176.094 0.026 0.000 1.051 64 V CA 2.164 64.471 62.300 0.012 0.000 1.018 64 V CB -0.820 30.964 31.823 -0.066 0.000 0.641 64 V HN 0.529 nan 8.190 nan 0.000 0.445 65 W N 0.001 121.303 121.300 0.003 0.000 2.363 65 W HA -0.087 4.573 4.660 -0.000 0.000 0.296 65 W C 2.625 179.150 176.519 0.011 0.000 1.212 65 W CA 1.600 58.950 57.345 0.007 0.000 1.260 65 W CB -0.633 28.834 29.460 0.011 0.000 1.131 65 W HN 0.203 nan 8.180 nan 0.000 0.530 66 A N -0.172 122.793 122.820 0.243 0.000 1.930 66 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 66 A C 1.440 179.084 177.584 0.101 0.000 1.175 66 A CA 2.060 54.185 52.037 0.148 0.000 0.627 66 A CB -0.530 18.534 19.000 0.107 0.000 0.815 66 A HN 0.147 nan 8.150 nan 0.000 0.443 67 D N -0.780 119.666 120.400 0.076 0.000 2.379 67 D HA 0.329 4.969 4.640 -0.000 0.000 0.208 67 D C 0.605 176.920 176.300 0.025 0.000 1.065 67 D CA 0.656 54.683 54.000 0.045 0.000 0.848 67 D CB 0.084 40.903 40.800 0.032 0.000 0.949 67 D HN 0.375 nan 8.370 nan 0.000 0.509 68 A N 1.021 123.849 122.820 0.012 0.000 2.409 68 A HA 0.154 4.474 4.320 -0.000 0.000 0.262 68 A C 0.841 178.425 177.584 0.000 0.000 1.113 68 A CA -0.213 51.810 52.037 -0.023 0.000 0.790 68 A CB 0.593 19.538 19.000 -0.092 0.000 1.046 68 A HN -0.121 nan 8.150 nan 0.000 0.496 69 D N 0.730 121.129 120.400 -0.003 0.000 2.213 69 D HA 0.035 4.675 4.640 -0.000 0.000 0.205 69 D C 0.048 176.345 176.300 -0.004 0.000 0.961 69 D CA 1.039 55.045 54.000 0.011 0.000 0.853 69 D CB 0.184 40.994 40.800 0.018 0.000 0.967 69 D HN 0.385 nan 8.370 nan 0.000 0.496 70 L N 1.357 122.559 121.223 -0.035 0.000 2.376 70 L HA 0.365 4.705 4.340 -0.000 0.000 0.275 70 L C -1.595 175.228 176.870 -0.079 0.000 0.987 70 L CA -0.604 54.210 54.840 -0.043 0.000 0.828 70 L CB 2.231 44.261 42.059 -0.049 0.000 1.249 70 L HN -0.246 nan 8.230 nan 0.000 0.409 71 L N 6.763 127.925 121.223 -0.101 0.000 2.319 71 L HA 0.525 4.865 4.340 -0.000 0.000 0.281 71 L C -1.315 175.459 176.870 -0.160 0.000 1.005 71 L CA -0.391 54.317 54.840 -0.220 0.000 0.828 71 L CB 1.336 43.174 42.059 -0.369 0.000 1.227 71 L HN 0.667 nan 8.230 nan 0.000 0.415 72 L N 5.408 126.542 121.223 -0.148 0.000 2.295 72 L HA 0.539 4.879 4.340 -0.000 0.000 0.285 72 L C 0.036 176.825 176.870 -0.136 0.000 1.035 72 L CA -0.490 54.307 54.840 -0.072 0.000 0.806 72 L CB 1.700 43.754 42.059 -0.009 0.000 1.214 72 L HN 0.569 nan 8.230 nan 0.000 0.426 73 K N 1.260 121.581 120.400 -0.132 0.000 2.409 73 K HA 0.520 4.840 4.320 -0.000 0.000 0.252 73 K C 0.130 176.719 176.600 -0.018 0.000 1.036 73 K CA -0.821 55.413 56.287 -0.088 0.000 0.871 73 K CB 2.678 35.127 32.500 -0.086 0.000 1.374 73 K HN 0.214 nan 8.250 nan 0.000 0.459 74 V N 0.326 120.284 119.914 0.074 0.000 2.521 74 V HA 0.070 4.190 4.120 -0.000 0.000 0.239 74 V C 0.498 176.744 176.094 0.254 0.000 1.053 74 V CA 0.939 63.367 62.300 0.213 0.000 1.073 74 V CB -0.006 31.941 31.823 0.207 0.000 0.746 74 V HN 0.519 nan 8.190 nan 0.000 0.476 75 K N 1.262 121.763 120.400 0.168 0.000 2.210 75 K HA 0.341 4.661 4.320 -0.000 0.000 0.236 75 K C 0.022 176.694 176.600 0.120 0.000 1.016 75 K CA -0.552 55.838 56.287 0.172 0.000 0.913 75 K CB 0.754 33.332 32.500 0.130 0.000 1.141 75 K HN 0.367 nan 8.250 nan 0.000 0.462 76 E N 1.697 121.978 120.200 0.136 0.000 2.390 76 E HA 0.196 4.546 4.350 -0.000 0.000 0.261 76 E C -2.386 174.307 176.600 0.154 0.000 1.076 76 E CA -1.796 54.677 56.400 0.122 0.000 0.905 76 E CB -0.337 29.442 29.700 0.132 0.000 0.984 76 E HN 0.127 nan 8.360 nan 0.000 0.427 77 P HA 0.131 nan 4.420 nan 0.000 0.268 77 P C -0.078 177.353 177.300 0.220 0.000 1.205 77 P CA 0.086 63.328 63.100 0.237 0.000 0.771 77 P CB 0.331 32.206 31.700 0.291 0.000 0.858 78 I N -1.099 119.494 120.570 0.038 0.000 3.076 78 I HA 0.668 4.838 4.170 -0.000 0.000 0.313 78 I C 1.344 177.042 176.117 -0.697 0.000 1.053 78 I CA -1.162 60.044 61.300 -0.157 0.000 1.048 78 I CB 1.282 39.224 38.000 -0.096 0.000 1.264 78 I HN 0.240 nan 8.210 nan 0.000 0.498 79 A N 2.418 124.710 122.820 -0.880 0.000 1.927 79 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 79 A C 2.197 179.327 177.584 -0.756 0.000 1.185 79 A CA 2.583 53.881 52.037 -1.232 0.000 0.639 79 A CB -1.356 17.318 19.000 -0.543 0.000 0.820 79 A HN 1.066 nan 8.150 nan 0.000 0.451 80 A N -0.920 121.651 122.820 -0.415 0.000 2.209 80 A HA -0.003 4.317 4.320 -0.000 0.000 0.212 80 A C 1.641 179.070 177.584 -0.259 0.000 1.158 80 A CA 1.292 53.174 52.037 -0.258 0.000 0.742 80 A CB -0.339 18.564 19.000 -0.162 0.000 0.790 80 A HN 0.682 nan 8.150 nan 0.000 0.472 81 E N -1.678 118.332 120.200 -0.316 0.000 2.476 81 E HA 0.034 4.384 4.350 -0.000 0.000 0.199 81 E C 0.751 177.187 176.600 -0.272 0.000 1.021 81 E CA -0.198 55.994 56.400 -0.346 0.000 0.907 81 E CB -0.003 29.537 29.700 -0.267 0.000 0.974 81 E HN 0.647 nan 8.360 nan 0.000 0.489 82 Y N 0.778 120.947 120.300 -0.218 0.000 2.207 82 Y HA -0.090 4.460 4.550 -0.000 0.000 0.287 82 Y C 2.516 178.299 175.900 -0.194 0.000 1.156 82 Y CA 1.247 59.242 58.100 -0.174 0.000 1.182 82 Y CB -1.031 37.367 38.460 -0.102 0.000 0.979 82 Y HN 0.103 nan 8.280 nan 0.000 0.521 83 G N -0.401 108.374 108.800 -0.041 0.000 2.598 83 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.215 83 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.215 83 G C 1.736 176.539 174.900 -0.162 0.000 1.131 83 G CA 0.097 45.147 45.100 -0.084 0.000 0.785 83 G HN 0.306 nan 8.290 nan 0.000 0.539 84 R N -0.480 119.815 120.500 -0.341 0.000 2.246 84 R HA 0.197 4.537 4.340 -0.000 0.000 0.199 84 R C 0.444 176.573 176.300 -0.285 0.000 0.984 84 R CA -0.222 55.583 56.100 -0.491 0.000 1.015 84 R CB -0.165 29.391 30.300 -1.241 0.000 0.930 84 R HN 0.296 nan 8.270 nan 0.000 0.475 85 L N 2.097 123.193 121.223 -0.212 0.000 2.485 85 L HA 0.092 4.432 4.340 -0.000 0.000 0.275 85 L C 0.309 177.212 176.870 0.054 0.000 1.207 85 L CA 0.088 54.933 54.840 0.008 0.000 0.855 85 L CB 0.076 42.135 42.059 -0.000 0.000 1.114 85 L HN -0.084 nan 8.230 nan 0.000 0.485 86 R N 1.444 122.011 120.500 0.112 0.000 2.533 86 R HA 0.248 4.588 4.340 -0.000 0.000 0.288 86 R C -0.823 175.543 176.300 0.110 0.000 1.039 86 R CA -0.740 55.429 56.100 0.115 0.000 0.909 86 R CB 0.749 31.138 30.300 0.149 0.000 1.195 86 R HN 0.585 nan 8.270 nan 0.000 0.438 87 H N 2.870 121.948 119.070 0.015 0.000 3.001 87 H HA 0.311 4.867 4.556 -0.000 0.000 0.334 87 H C 1.188 176.537 175.328 0.036 0.000 1.034 87 H CA 2.293 58.342 56.048 0.001 0.000 1.420 87 H CB 0.770 30.522 29.762 -0.017 0.000 1.405 87 H HN 0.935 nan 8.280 nan 0.000 0.593 88 G N 3.024 111.595 108.800 -0.382 0.000 2.176 88 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.253 88 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.253 88 G C 0.273 175.167 174.900 -0.010 0.000 0.979 88 G CA 0.349 45.354 45.100 -0.158 0.000 0.641 88 G HN 0.854 nan 8.290 nan 0.000 0.530 89 Q N -0.010 119.787 119.800 -0.005 0.000 2.222 89 Q HA 0.698 5.038 4.340 -0.000 0.000 0.252 89 Q C -0.075 175.913 176.000 -0.019 0.000 0.926 89 Q CA -0.976 54.840 55.803 0.022 0.000 0.899 89 Q CB 0.802 29.581 28.738 0.068 0.000 1.250 89 Q HN 0.397 nan 8.270 nan 0.000 0.441 90 I N 4.073 124.633 120.570 -0.017 0.000 2.315 90 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 90 I C -0.678 175.415 176.117 -0.040 0.000 1.006 90 I CA -0.737 60.526 61.300 -0.061 0.000 1.265 90 I CB 1.125 39.104 38.000 -0.034 0.000 1.387 90 I HN 0.494 nan 8.210 nan 0.000 0.475 91 L N 7.808 129.007 121.223 -0.040 0.000 2.295 91 L HA 0.572 4.912 4.340 -0.000 0.000 0.285 91 L C -1.413 175.476 176.870 0.031 0.000 1.035 91 L CA -0.053 54.779 54.840 -0.013 0.000 0.806 91 L CB 1.136 43.208 42.059 0.022 0.000 1.214 91 L HN 0.416 nan 8.230 nan 0.000 0.426 92 F N 4.909 124.731 119.950 -0.212 0.000 2.659 92 F HA 0.712 5.239 4.527 -0.000 0.000 0.342 92 F C -0.484 174.930 175.800 -0.644 0.000 1.168 92 F CA -0.193 57.630 58.000 -0.296 0.000 1.003 92 F CB 1.311 40.254 39.000 -0.095 0.000 1.267 92 F HN 0.660 nan 8.300 nan 0.000 0.463 93 T N 4.505 118.405 114.554 -1.090 0.000 2.700 93 T HA 0.454 4.803 4.350 -0.000 0.000 0.307 93 T C -1.464 172.484 174.700 -1.253 0.000 1.580 93 T CA -0.476 60.776 62.100 -1.414 0.000 0.992 93 T CB 0.454 69.032 68.868 -0.483 0.000 1.577 93 T HN 0.154 nan 8.240 nan 0.000 0.496 94 F N 2.485 122.074 119.950 -0.603 0.000 2.504 94 F HA 0.361 4.888 4.527 -0.000 0.000 0.369 94 F C 1.337 176.969 175.800 -0.282 0.000 1.082 94 F CA -0.094 57.716 58.000 -0.316 0.000 1.216 94 F CB 0.627 39.598 39.000 -0.048 0.000 1.108 94 F HN 0.368 nan 8.300 nan 0.000 0.554 95 L N 2.112 123.234 121.223 -0.167 0.000 2.433 95 L HA 0.057 4.397 4.340 -0.000 0.000 0.200 95 L C 0.498 177.361 176.870 -0.012 0.000 1.059 95 L CA -0.038 54.754 54.840 -0.080 0.000 0.835 95 L CB -0.197 41.814 42.059 -0.081 0.000 1.076 95 L HN 0.590 nan 8.230 nan 0.000 0.481 96 H N 0.868 119.987 119.070 0.082 0.000 2.604 96 H HA -0.161 4.395 4.556 -0.000 0.000 0.321 96 H C 1.263 176.610 175.328 0.032 0.000 1.132 96 H CA 0.487 56.565 56.048 0.051 0.000 1.129 96 H CB -1.693 28.090 29.762 0.034 0.000 1.526 96 H HN 0.325 nan 8.280 nan 0.000 0.415 97 L N -0.691 120.578 121.223 0.077 0.000 2.191 97 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 97 L C 2.671 179.570 176.870 0.047 0.000 1.103 97 L CA 1.287 56.156 54.840 0.049 0.000 0.769 97 L CB -0.289 41.782 42.059 0.018 0.000 0.908 97 L HN 0.495 nan 8.230 nan 0.000 0.438 98 A N 0.140 122.992 122.820 0.053 0.000 2.070 98 A HA -0.065 4.255 4.320 -0.000 0.000 0.220 98 A C 2.391 179.996 177.584 0.034 0.000 1.159 98 A CA 1.524 53.582 52.037 0.036 0.000 0.656 98 A CB -0.396 18.623 19.000 0.031 0.000 0.800 98 A HN 0.398 nan 8.150 nan 0.000 0.453 99 A N -1.651 121.200 122.820 0.052 0.000 2.178 99 A HA 0.387 4.707 4.320 -0.000 0.000 0.211 99 A C 1.111 178.716 177.584 0.035 0.000 1.157 99 A CA 0.971 53.029 52.037 0.036 0.000 0.780 99 A CB -0.114 18.906 19.000 0.033 0.000 0.828 99 A HN 0.504 nan 8.150 nan 0.000 0.476 100 S N -1.143 114.583 115.700 0.044 0.000 2.775 100 S HA 0.433 4.903 4.470 -0.000 0.000 0.277 100 S C 0.537 175.150 174.600 0.022 0.000 1.156 100 S CA -0.629 57.596 58.200 0.041 0.000 1.081 100 S CB 0.931 64.172 63.200 0.067 0.000 1.054 100 S HN 0.372 nan 8.310 nan 0.000 0.482 101 R N 4.346 124.854 120.500 0.013 0.000 2.096 101 R HA 0.076 4.416 4.340 -0.000 0.000 0.235 101 R C 2.068 178.355 176.300 -0.023 0.000 1.127 101 R CA 2.443 58.540 56.100 -0.004 0.000 0.968 101 R CB -0.820 29.479 30.300 -0.001 0.000 0.861 101 R HN 0.689 nan 8.270 nan 0.000 0.440 102 A N -0.187 122.635 122.820 0.003 0.000 1.883 102 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 102 A C 2.645 180.144 177.584 -0.141 0.000 1.186 102 A CA 1.697 53.733 52.037 -0.001 0.000 0.624 102 A CB -1.459 17.619 19.000 0.130 0.000 0.822 102 A HN 0.591 nan 8.150 nan 0.000 0.444 103 C N -0.988 118.285 119.300 -0.046 0.000 2.432 103 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 103 C C 3.022 177.911 174.990 -0.168 0.000 1.249 103 C CA 1.997 60.948 59.018 -0.112 0.000 1.725 103 C CB -1.537 26.238 27.740 0.058 0.000 2.028 103 C HN 0.640 nan 8.230 nan 0.000 0.477 104 T N 0.563 115.063 114.554 -0.090 0.000 2.652 104 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 104 T C 1.333 175.964 174.700 -0.115 0.000 1.039 104 T CA 2.094 64.148 62.100 -0.076 0.000 1.153 104 T CB -0.495 68.352 68.868 -0.036 0.000 0.863 104 T HN 0.559 nan 8.240 nan 0.000 0.428 105 D N 1.090 121.410 120.400 -0.133 0.000 2.144 105 D HA -0.003 4.637 4.640 -0.000 0.000 0.199 105 D C 2.337 178.513 176.300 -0.207 0.000 0.984 105 D CA 1.202 55.119 54.000 -0.138 0.000 0.834 105 D CB -0.456 40.274 40.800 -0.116 0.000 0.955 105 D HN 0.414 nan 8.370 nan 0.000 0.465 106 A N 0.588 123.185 122.820 -0.373 0.000 1.873 106 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 106 A C 2.408 179.825 177.584 -0.278 0.000 1.186 106 A CA 0.818 52.557 52.037 -0.497 0.000 0.616 106 A CB -0.759 17.488 19.000 -1.256 0.000 0.823 106 A HN 0.195 nan 8.150 nan 0.000 0.442 107 L N -0.551 120.540 121.223 -0.219 0.000 2.012 107 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 107 L C 2.623 179.439 176.870 -0.091 0.000 1.073 107 L CA 1.199 55.970 54.840 -0.115 0.000 0.748 107 L CB -0.600 41.410 42.059 -0.081 0.000 0.891 107 L HN 0.387 nan 8.230 nan 0.000 0.431 108 L N -0.541 120.626 121.223 -0.094 0.000 2.017 108 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 108 L C 2.222 179.051 176.870 -0.068 0.000 1.073 108 L CA 1.195 55.993 54.840 -0.071 0.000 0.745 108 L CB -0.710 41.313 42.059 -0.060 0.000 0.894 108 L HN 0.287 nan 8.230 nan 0.000 0.432 109 D N -0.371 119.981 120.400 -0.081 0.000 2.263 109 D HA -0.141 4.498 4.640 -0.000 0.000 0.208 109 D C 2.318 178.587 176.300 -0.053 0.000 0.971 109 D CA 1.558 55.517 54.000 -0.067 0.000 0.867 109 D CB -0.042 40.712 40.800 -0.078 0.000 0.929 109 D HN 0.361 nan 8.370 nan 0.000 0.492 110 S N -0.850 114.817 115.700 -0.054 0.000 2.496 110 S HA 0.146 4.616 4.470 -0.000 0.000 0.224 110 S C 1.910 176.517 174.600 0.012 0.000 0.996 110 S CA 0.905 59.090 58.200 -0.024 0.000 0.927 110 S CB 0.093 63.278 63.200 -0.024 0.000 0.774 110 S HN 0.294 nan 8.310 nan 0.000 0.524 111 G N 0.676 109.474 108.800 -0.002 0.000 2.189 111 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.267 111 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.267 111 G C 0.301 175.195 174.900 -0.009 0.000 0.975 111 G CA 0.695 45.816 45.100 0.035 0.000 0.644 111 G HN 0.785 nan 8.290 nan 0.000 0.537 112 T N 0.857 115.395 114.554 -0.026 0.000 2.855 112 T HA 0.459 4.809 4.350 -0.000 0.000 0.314 112 T C 0.736 175.364 174.700 -0.120 0.000 1.077 112 T CA 1.174 63.239 62.100 -0.059 0.000 1.095 112 T CB 0.299 69.166 68.868 -0.002 0.000 0.987 112 T HN 0.275 nan 8.240 nan 0.000 0.546 113 T N 3.620 118.078 114.554 -0.161 0.000 2.743 113 T HA 0.517 4.867 4.350 -0.000 0.000 0.292 113 T C -0.244 174.310 174.700 -0.242 0.000 0.972 113 T CA -0.742 61.191 62.100 -0.277 0.000 0.967 113 T CB 0.647 69.168 68.868 -0.578 0.000 0.926 113 T HN 0.657 nan 8.240 nan 0.000 0.459 114 S N 3.232 118.810 115.700 -0.203 0.000 2.536 114 S HA 0.832 5.302 4.470 -0.000 0.000 0.298 114 S C -0.734 173.790 174.600 -0.127 0.000 1.083 114 S CA -0.955 57.168 58.200 -0.129 0.000 0.995 114 S CB 1.146 64.303 63.200 -0.071 0.000 1.058 114 S HN 0.595 nan 8.310 nan 0.000 0.488 115 I N 1.489 122.023 120.570 -0.060 0.000 2.499 115 I HA 0.579 4.749 4.170 -0.000 0.000 0.288 115 I C -0.176 175.988 176.117 0.078 0.000 1.048 115 I CA -1.041 60.258 61.300 -0.001 0.000 1.062 115 I CB 2.045 39.998 38.000 -0.078 0.000 1.238 115 I HN 0.901 nan 8.210 nan 0.000 0.426 116 A N 5.401 128.231 122.820 0.018 0.000 2.290 116 A HA 0.448 4.767 4.320 -0.000 0.000 0.310 116 A C 0.382 177.943 177.584 -0.039 0.000 1.202 116 A CA -0.249 51.740 52.037 -0.080 0.000 0.837 116 A CB 0.179 19.136 19.000 -0.071 0.000 1.139 116 A HN 0.835 nan 8.150 nan 0.000 0.509 117 Y N 0.965 121.064 120.300 -0.336 0.000 2.165 117 Y HA -0.240 4.310 4.550 -0.000 0.000 0.286 117 Y C 2.557 178.320 175.900 -0.227 0.000 1.155 117 Y CA 1.203 58.982 58.100 -0.534 0.000 1.164 117 Y CB 0.184 37.865 38.460 -1.298 0.000 0.978 117 Y HN 0.850 nan 8.280 nan 0.000 0.513 118 E N 0.535 120.812 120.200 0.128 0.000 2.418 118 E HA -0.115 4.234 4.350 -0.000 0.000 0.197 118 E C 1.257 177.926 176.600 0.115 0.000 1.026 118 E CA 1.584 58.130 56.400 0.244 0.000 0.862 118 E CB -0.562 29.321 29.700 0.306 0.000 0.799 118 E HN 0.512 nan 8.360 nan 0.000 0.518 119 T N -1.792 112.798 114.554 0.060 0.000 3.054 119 T HA 0.248 4.598 4.350 -0.000 0.000 0.255 119 T C 0.761 175.479 174.700 0.030 0.000 1.035 119 T CA -0.329 61.798 62.100 0.044 0.000 0.941 119 T CB 0.030 68.918 68.868 0.033 0.000 1.026 119 T HN -0.068 nan 8.240 nan 0.000 0.533 120 V N 2.584 122.504 119.914 0.011 0.000 2.475 120 V HA 0.180 4.299 4.120 -0.000 0.000 0.292 120 V C 0.043 176.131 176.094 -0.009 0.000 1.003 120 V CA 0.416 62.691 62.300 -0.041 0.000 1.120 120 V CB 0.075 31.784 31.823 -0.191 0.000 0.937 120 V HN 0.610 nan 8.190 nan 0.000 0.476 121 Q N 3.875 123.689 119.800 0.023 0.000 2.263 121 Q HA 0.419 4.759 4.340 -0.000 0.000 0.266 121 Q C -0.169 175.869 176.000 0.063 0.000 1.002 121 Q CA -0.601 55.229 55.803 0.045 0.000 0.790 121 Q CB 2.012 30.776 28.738 0.043 0.000 1.272 121 Q HN 0.875 nan 8.270 nan 0.000 0.435 122 T N -0.164 114.434 114.554 0.074 0.000 2.788 122 T HA 0.488 4.838 4.350 -0.000 0.000 0.280 122 T C 1.222 175.956 174.700 0.056 0.000 0.984 122 T CA 0.031 62.178 62.100 0.078 0.000 0.972 122 T CB 1.070 69.989 68.868 0.085 0.000 1.039 122 T HN 0.646 nan 8.240 nan 0.000 0.530 123 A N 0.868 123.718 122.820 0.050 0.000 1.969 123 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 123 A C 1.888 179.492 177.584 0.034 0.000 1.169 123 A CA 1.496 53.556 52.037 0.039 0.000 0.635 123 A CB -1.001 18.020 19.000 0.034 0.000 0.810 123 A HN 0.957 nan 8.150 nan 0.000 0.445 124 D N -1.940 118.480 120.400 0.034 0.000 2.363 124 D HA 0.219 4.859 4.640 -0.000 0.000 0.226 124 D C 1.206 177.524 176.300 0.030 0.000 1.020 124 D CA 1.072 55.090 54.000 0.029 0.000 0.892 124 D CB -0.581 40.235 40.800 0.026 0.000 0.900 124 D HN 0.808 nan 8.370 nan 0.000 0.531 125 G N -0.623 108.198 108.800 0.035 0.000 2.176 125 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.232 125 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.232 125 G C 0.481 175.404 174.900 0.038 0.000 0.986 125 G CA 0.138 45.259 45.100 0.035 0.000 0.643 125 G HN 0.800 nan 8.290 nan 0.000 0.522 126 A N -0.005 122.840 122.820 0.041 0.000 2.386 126 A HA 0.717 5.037 4.320 -0.000 0.000 0.248 126 A C 0.454 178.070 177.584 0.053 0.000 1.082 126 A CA 0.156 52.220 52.037 0.045 0.000 0.789 126 A CB 0.355 19.382 19.000 0.044 0.000 1.025 126 A HN 0.919 nan 8.150 nan 0.000 0.490 127 L N 3.335 124.592 121.223 0.056 0.000 2.335 127 L HA 0.299 4.639 4.340 -0.000 0.000 0.268 127 L C -1.482 175.426 176.870 0.064 0.000 1.037 127 L CA -1.456 53.420 54.840 0.061 0.000 0.895 127 L CB 1.557 43.661 42.059 0.075 0.000 1.266 127 L HN 0.611 nan 8.230 nan 0.000 0.439 128 P HA -0.102 nan 4.420 nan 0.000 0.226 128 P C 1.155 178.483 177.300 0.045 0.000 1.153 128 P CA 1.036 64.180 63.100 0.073 0.000 0.777 128 P CB 0.491 32.270 31.700 0.131 0.000 0.794 129 L N -1.887 119.337 121.223 0.001 0.000 2.463 129 L HA 0.113 4.453 4.340 -0.000 0.000 0.219 129 L C 2.401 179.355 176.870 0.140 0.000 1.088 129 L CA 0.094 54.901 54.840 -0.054 0.000 0.849 129 L CB -0.622 41.262 42.059 -0.293 0.000 1.012 129 L HN -0.072 nan 8.230 nan 0.000 0.468 130 L N 0.799 122.142 121.223 0.201 0.000 2.131 130 L HA 0.054 4.394 4.340 -0.000 0.000 0.206 130 L C 2.667 179.625 176.870 0.145 0.000 1.087 130 L CA 1.622 56.608 54.840 0.244 0.000 0.767 130 L CB -0.466 41.709 42.059 0.193 0.000 0.917 130 L HN 0.124 nan 8.230 nan 0.000 0.441 131 A N 1.181 124.065 122.820 0.107 0.000 1.881 131 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 131 A C 0.054 177.690 177.584 0.086 0.000 1.215 131 A CA 2.446 54.533 52.037 0.084 0.000 0.648 131 A CB -2.399 16.643 19.000 0.069 0.000 0.832 131 A HN 0.514 nan 8.150 nan 0.000 0.455 132 P HA -0.156 nan 4.420 nan 0.000 0.218 132 P C 1.442 178.798 177.300 0.094 0.000 1.149 132 P CA 1.260 64.413 63.100 0.088 0.000 0.817 132 P CB -0.239 31.509 31.700 0.080 0.000 0.785 133 M N -0.474 119.188 119.600 0.104 0.000 2.200 133 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 133 M C 2.198 178.530 176.300 0.053 0.000 1.066 133 M CA 1.303 56.650 55.300 0.078 0.000 1.127 133 M CB -1.855 30.774 32.600 0.049 0.000 1.379 133 M HN -0.095 nan 8.290 nan 0.000 0.420 134 S N 0.644 116.378 115.700 0.058 0.000 2.368 134 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 134 S C 1.807 176.448 174.600 0.068 0.000 1.030 134 S CA 1.194 59.426 58.200 0.053 0.000 0.999 134 S CB -0.201 63.033 63.200 0.058 0.000 0.844 134 S HN 0.510 nan 8.310 nan 0.000 0.459 135 E N 0.516 120.766 120.200 0.084 0.000 2.038 135 E HA -0.132 4.218 4.350 -0.000 0.000 0.195 135 E C 2.136 178.782 176.600 0.076 0.000 1.000 135 E CA 1.396 57.854 56.400 0.097 0.000 0.803 135 E CB -0.269 29.493 29.700 0.104 0.000 0.750 135 E HN 0.259 nan 8.360 nan 0.000 0.448 136 V N 1.298 121.255 119.914 0.072 0.000 2.295 136 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 136 V C 2.306 178.434 176.094 0.056 0.000 1.049 136 V CA 1.860 64.199 62.300 0.066 0.000 1.024 136 V CB -0.696 31.172 31.823 0.076 0.000 0.648 136 V HN 0.335 nan 8.190 nan 0.000 0.447 137 A N 0.390 123.241 122.820 0.051 0.000 1.933 137 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 137 A C 2.400 180.000 177.584 0.027 0.000 1.175 137 A CA 1.859 53.922 52.037 0.042 0.000 0.628 137 A CB -1.139 17.877 19.000 0.028 0.000 0.814 137 A HN 0.527 nan 8.150 nan 0.000 0.444 138 G N -0.452 108.365 108.800 0.028 0.000 2.421 138 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 138 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 138 G C 1.775 176.671 174.900 -0.006 0.000 1.171 138 G CA 0.840 45.947 45.100 0.012 0.000 0.775 138 G HN 0.557 nan 8.290 nan 0.000 0.543 139 R N -0.292 120.212 120.500 0.006 0.000 2.075 139 R HA 0.123 4.463 4.340 -0.000 0.000 0.232 139 R C 2.629 178.925 176.300 -0.007 0.000 1.126 139 R CA 0.696 56.792 56.100 -0.005 0.000 0.963 139 R CB -0.480 29.827 30.300 0.011 0.000 0.858 139 R HN 0.311 nan 8.270 nan 0.000 0.435 140 L N 0.304 121.532 121.223 0.009 0.000 2.083 140 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 140 L C 2.668 179.519 176.870 -0.031 0.000 1.083 140 L CA 1.047 55.892 54.840 0.008 0.000 0.752 140 L CB -0.542 41.545 42.059 0.048 0.000 0.899 140 L HN 0.248 nan 8.230 nan 0.000 0.433 141 A N 0.038 122.834 122.820 -0.041 0.000 1.917 141 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 141 A C 2.503 180.034 177.584 -0.090 0.000 1.182 141 A CA 1.938 53.924 52.037 -0.086 0.000 0.633 141 A CB -0.687 18.280 19.000 -0.055 0.000 0.819 141 A HN 0.442 nan 8.150 nan 0.000 0.448 142 A N -0.630 122.154 122.820 -0.061 0.000 1.877 142 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 142 A C 2.134 179.695 177.584 -0.038 0.000 1.186 142 A CA 1.613 53.618 52.037 -0.054 0.000 0.620 142 A CB -0.606 18.360 19.000 -0.057 0.000 0.822 142 A HN 0.674 nan 8.150 nan 0.000 0.443 143 Q N -0.190 119.593 119.800 -0.029 0.000 2.084 143 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 143 Q C 2.180 178.187 176.000 0.011 0.000 0.978 143 Q CA 1.992 57.792 55.803 -0.006 0.000 0.844 143 Q CB -0.583 28.151 28.738 -0.008 0.000 0.898 143 Q HN 0.750 nan 8.270 nan 0.000 0.426 144 V N -2.380 117.513 119.914 -0.036 0.000 2.591 144 V HA 0.073 4.192 4.120 -0.000 0.000 0.249 144 V C 2.031 178.140 176.094 0.025 0.000 1.053 144 V CA 1.708 63.991 62.300 -0.029 0.000 1.068 144 V CB -1.182 30.484 31.823 -0.261 0.000 0.689 144 V HN 0.281 nan 8.190 nan 0.000 0.462 145 G N 0.237 108.996 108.800 -0.069 0.000 2.418 145 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.217 145 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.217 145 G C 1.737 176.659 174.900 0.036 0.000 1.158 145 G CA 1.263 46.348 45.100 -0.025 0.000 0.771 145 G HN 0.854 nan 8.290 nan 0.000 0.545 146 A N 0.108 122.945 122.820 0.028 0.000 1.865 146 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 146 A C 2.215 179.822 177.584 0.038 0.000 1.191 146 A CA 1.765 53.818 52.037 0.026 0.000 0.623 146 A CB -0.838 18.177 19.000 0.024 0.000 0.826 146 A HN 0.452 nan 8.150 nan 0.000 0.444 147 Y N -0.011 120.253 120.300 -0.060 0.000 2.128 147 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 147 Y C 2.569 178.351 175.900 -0.197 0.000 1.154 147 Y CA 2.376 60.395 58.100 -0.134 0.000 1.149 147 Y CB -0.207 38.145 38.460 -0.180 0.000 0.976 147 Y HN 0.489 nan 8.280 nan 0.000 0.505 148 H N -0.544 118.589 119.070 0.104 0.000 2.546 148 H HA -0.024 4.532 4.556 -0.000 0.000 0.277 148 H C 2.104 177.421 175.328 -0.018 0.000 1.004 148 H CA 1.115 57.194 56.048 0.052 0.000 1.231 148 H CB -0.028 29.804 29.762 0.117 0.000 1.382 148 H HN 0.406 nan 8.280 nan 0.000 0.580 149 L N 0.376 121.619 121.223 0.032 0.000 2.465 149 L HA -0.013 4.327 4.340 -0.000 0.000 0.224 149 L C 0.793 177.627 176.870 -0.060 0.000 1.145 149 L CA 0.137 54.971 54.840 -0.009 0.000 0.834 149 L CB -0.043 42.007 42.059 -0.015 0.000 0.944 149 L HN 0.127 nan 8.230 nan 0.000 0.451 150 M N -0.794 118.724 119.600 -0.137 0.000 2.238 150 M HA -0.005 4.475 4.480 -0.000 0.000 0.347 150 M C 1.432 177.658 176.300 -0.122 0.000 1.173 150 M CA 0.413 55.610 55.300 -0.173 0.000 1.147 150 M CB 0.846 33.251 32.600 -0.325 0.000 1.547 150 M HN 0.005 nan 8.290 nan 0.000 0.455 151 R N 0.939 121.387 120.500 -0.087 0.000 2.148 151 R HA -0.099 4.241 4.340 -0.000 0.000 0.227 151 R C 1.733 178.003 176.300 -0.049 0.000 1.103 151 R CA 1.842 57.912 56.100 -0.051 0.000 0.983 151 R CB -0.160 30.117 30.300 -0.037 0.000 0.874 151 R HN 0.945 nan 8.270 nan 0.000 0.451 152 T N -1.361 113.144 114.554 -0.081 0.000 3.025 152 T HA -0.056 4.294 4.350 -0.000 0.000 0.270 152 T C 1.339 176.004 174.700 -0.058 0.000 1.126 152 T CA 0.696 62.754 62.100 -0.070 0.000 1.105 152 T CB 0.092 68.903 68.868 -0.095 0.000 0.884 152 T HN 0.142 nan 8.240 nan 0.000 0.522 153 Q N 0.345 120.099 119.800 -0.076 0.000 2.247 153 Q HA 0.355 4.695 4.340 -0.000 0.000 0.211 153 Q C 1.669 177.717 176.000 0.081 0.000 0.861 153 Q CA 0.578 56.383 55.803 0.004 0.000 0.949 153 Q CB 0.665 29.359 28.738 -0.073 0.000 1.115 153 Q HN 0.735 nan 8.270 nan 0.000 0.507 154 G N 0.248 109.071 108.800 0.039 0.000 2.175 154 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 154 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 154 G C 0.525 175.449 174.900 0.041 0.000 0.982 154 G CA -0.089 45.040 45.100 0.048 0.000 0.641 154 G HN 0.577 nan 8.290 nan 0.000 0.527 155 G N -1.017 107.801 108.800 0.031 0.000 2.588 155 G HA2 0.490 4.450 3.960 -0.000 0.000 0.281 155 G HA3 0.490 4.450 3.960 -0.000 0.000 0.281 155 G C 0.849 175.749 174.900 0.000 0.000 1.236 155 G CA 0.405 45.519 45.100 0.023 0.000 0.969 155 G HN 0.427 nan 8.290 nan 0.000 0.504 156 R N -0.661 119.837 120.500 -0.004 0.000 2.170 156 R HA -0.013 4.327 4.340 -0.000 0.000 0.242 156 R C 1.588 177.877 176.300 -0.020 0.000 1.145 156 R CA 1.468 57.561 56.100 -0.011 0.000 0.984 156 R CB -0.373 29.918 30.300 -0.014 0.000 0.869 156 R HN 1.239 nan 8.270 nan 0.000 0.455 157 G N -0.485 108.298 108.800 -0.029 0.000 2.270 157 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.224 157 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.224 157 G C -0.645 174.234 174.900 -0.036 0.000 1.079 157 G CA -0.043 45.034 45.100 -0.038 0.000 0.807 157 G HN 0.183 nan 8.290 nan 0.000 0.492 158 V N 0.822 120.715 119.914 -0.035 0.000 2.448 158 V HA 0.658 4.777 4.120 -0.000 0.000 0.295 158 V C 0.520 176.593 176.094 -0.034 0.000 1.025 158 V CA -1.082 61.200 62.300 -0.031 0.000 0.859 158 V CB 1.721 33.528 31.823 -0.026 0.000 0.988 158 V HN 0.527 nan 8.190 nan 0.000 0.431 159 L N 5.838 127.043 121.223 -0.031 0.000 2.410 159 L HA 0.247 4.587 4.340 -0.000 0.000 0.273 159 L C 1.373 178.229 176.870 -0.024 0.000 1.152 159 L CA 0.480 55.303 54.840 -0.029 0.000 0.855 159 L CB 0.834 42.878 42.059 -0.024 0.000 1.129 159 L HN 0.619 nan 8.230 nan 0.000 0.463 160 M N 3.482 123.068 119.600 -0.022 0.000 2.088 160 M HA -0.157 4.323 4.480 -0.000 0.000 0.256 160 M C 1.529 177.817 176.300 -0.021 0.000 1.071 160 M CA 2.162 57.449 55.300 -0.022 0.000 1.097 160 M CB -1.502 31.085 32.600 -0.021 0.000 1.315 160 M HN 0.859 nan 8.290 nan 0.000 0.406 161 G N -1.315 107.475 108.800 -0.018 0.000 3.088 161 G HA2 0.402 4.362 3.960 -0.000 0.000 0.217 161 G HA3 0.402 4.362 3.960 -0.000 0.000 0.217 161 G C 0.858 175.751 174.900 -0.012 0.000 1.159 161 G CA 0.481 45.572 45.100 -0.015 0.000 0.760 161 G HN 0.780 nan 8.290 nan 0.000 0.550 162 G N -0.689 108.103 108.800 -0.013 0.000 2.633 162 G HA2 0.077 4.037 3.960 -0.000 0.000 0.263 162 G HA3 0.077 4.037 3.960 -0.000 0.000 0.263 162 G C 0.042 174.936 174.900 -0.010 0.000 1.310 162 G CA 0.693 45.786 45.100 -0.012 0.000 0.914 162 G HN 1.528 nan 8.290 nan 0.000 0.569 163 V N -4.393 115.516 119.914 -0.008 0.000 3.159 163 V HA 0.816 4.936 4.120 -0.000 0.000 0.308 163 V C -2.669 173.423 176.094 -0.005 0.000 1.190 163 V CA -1.973 60.323 62.300 -0.007 0.000 1.037 163 V CB 1.699 33.518 31.823 -0.007 0.000 1.060 163 V HN 0.808 nan 8.190 nan 0.000 0.437 164 P HA 0.336 nan 4.420 nan 0.000 0.261 164 P C 0.957 178.255 177.300 -0.002 0.000 1.183 164 P CA 2.022 65.121 63.100 -0.002 0.000 0.761 164 P CB 0.529 32.229 31.700 -0.001 0.000 0.785 165 G N 1.238 110.037 108.800 -0.002 0.000 2.195 165 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.246 165 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.246 165 G C -0.085 174.813 174.900 -0.003 0.000 0.984 165 G CA -0.077 45.022 45.100 -0.002 0.000 0.633 165 G HN 0.549 nan 8.290 nan 0.000 0.525 166 V N 0.743 120.655 119.914 -0.004 0.000 2.604 166 V HA 0.538 4.658 4.120 -0.000 0.000 0.305 166 V C 0.430 176.521 176.094 -0.006 0.000 1.043 166 V CA -0.831 61.465 62.300 -0.006 0.000 0.888 166 V CB 1.927 33.745 31.823 -0.008 0.000 0.995 166 V HN 0.419 nan 8.190 nan 0.000 0.429 167 E N 5.576 125.771 120.200 -0.008 0.000 2.493 167 E HA 0.129 4.479 4.350 -0.000 0.000 0.255 167 E C -2.250 174.344 176.600 -0.010 0.000 0.999 167 E CA -1.013 55.382 56.400 -0.008 0.000 0.934 167 E CB 0.799 30.492 29.700 -0.010 0.000 0.940 167 E HN 0.433 nan 8.360 nan 0.000 0.473 168 P HA 0.085 nan 4.420 nan 0.000 0.274 168 P C -1.211 176.080 177.300 -0.014 0.000 1.256 168 P CA -0.393 62.700 63.100 -0.011 0.000 0.795 168 P CB 0.657 32.353 31.700 -0.007 0.000 1.038 169 A N 0.688 123.497 122.820 -0.018 0.000 2.445 169 A HA 0.123 4.443 4.320 -0.000 0.000 0.242 169 A C 0.276 177.847 177.584 -0.021 0.000 1.075 169 A CA 0.088 52.112 52.037 -0.022 0.000 0.777 169 A CB -0.397 18.588 19.000 -0.026 0.000 1.013 169 A HN 0.516 nan 8.150 nan 0.000 0.493 170 D N 1.996 122.381 120.400 -0.024 0.000 2.347 170 D HA 0.410 5.050 4.640 -0.000 0.000 0.235 170 D C -1.051 175.230 176.300 -0.032 0.000 1.149 170 D CA 0.099 54.085 54.000 -0.024 0.000 0.850 170 D CB 1.022 41.804 40.800 -0.031 0.000 1.061 170 D HN 0.122 nan 8.370 nan 0.000 0.487 171 V N 4.324 124.221 119.914 -0.029 0.000 2.448 171 V HA 0.319 4.438 4.120 -0.000 0.000 0.295 171 V C 0.198 176.271 176.094 -0.035 0.000 1.025 171 V CA -0.837 61.440 62.300 -0.039 0.000 0.859 171 V CB 1.945 33.739 31.823 -0.048 0.000 0.988 171 V HN 0.314 nan 8.190 nan 0.000 0.431 172 V N 5.740 125.631 119.914 -0.039 0.000 2.417 172 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 172 V C -0.235 175.846 176.094 -0.021 0.000 1.024 172 V CA -0.545 61.736 62.300 -0.031 0.000 0.861 172 V CB 1.986 33.785 31.823 -0.040 0.000 0.985 172 V HN 0.616 nan 8.190 nan 0.000 0.436 173 V N 6.583 126.487 119.914 -0.017 0.000 2.384 173 V HA 0.484 4.604 4.120 -0.000 0.000 0.287 173 V C -0.111 175.986 176.094 0.006 0.000 1.020 173 V CA -0.429 61.867 62.300 -0.007 0.000 0.850 173 V CB 1.652 33.459 31.823 -0.026 0.000 0.987 173 V HN 0.684 nan 8.190 nan 0.000 0.436 174 I N 4.685 125.270 120.570 0.026 0.000 2.291 174 I HA 0.709 4.878 4.170 -0.000 0.000 0.290 174 I C 0.750 176.873 176.117 0.010 0.000 1.050 174 I CA -0.004 61.310 61.300 0.023 0.000 1.245 174 I CB 1.005 39.041 38.000 0.060 0.000 1.405 174 I HN 0.872 nan 8.210 nan 0.000 0.478 175 G N 4.400 113.202 108.800 0.003 0.000 3.367 175 G HA2 0.134 4.094 3.960 -0.000 0.000 0.686 175 G HA3 0.134 4.094 3.960 -0.000 0.000 0.686 175 G C -0.298 174.620 174.900 0.029 0.000 1.146 175 G CA -0.348 44.757 45.100 0.008 0.000 0.913 175 G HN 0.892 nan 8.290 nan 0.000 0.554 176 A N 1.588 124.435 122.820 0.044 0.000 2.630 176 A HA 0.778 5.098 4.320 -0.000 0.000 0.290 176 A C 1.433 179.077 177.584 0.101 0.000 1.267 176 A CA 1.198 53.284 52.037 0.083 0.000 0.950 176 A CB -0.136 18.913 19.000 0.081 0.000 1.144 176 A HN 2.075 nan 8.150 nan 0.000 0.527 177 G N -0.949 107.898 108.800 0.080 0.000 2.531 177 G HA2 0.343 4.303 3.960 -0.000 0.000 0.253 177 G HA3 0.343 4.303 3.960 -0.000 0.000 0.253 177 G C 1.012 175.978 174.900 0.110 0.000 1.439 177 G CA 0.717 45.860 45.100 0.071 0.000 1.056 177 G HN 0.141 nan 8.290 nan 0.000 0.555 178 T N 0.910 115.517 114.554 0.088 0.000 2.652 178 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 178 T C 2.755 177.548 174.700 0.155 0.000 1.039 178 T CA 2.245 64.416 62.100 0.119 0.000 1.153 178 T CB -0.564 68.353 68.868 0.081 0.000 0.863 178 T HN 0.574 nan 8.240 nan 0.000 0.428 179 A N 1.229 124.107 122.820 0.096 0.000 1.898 179 A HA 0.163 4.482 4.320 -0.000 0.000 0.216 179 A C 2.634 180.257 177.584 0.064 0.000 1.181 179 A CA 1.840 53.919 52.037 0.070 0.000 0.620 179 A CB -1.323 17.696 19.000 0.032 0.000 0.819 179 A HN 0.522 nan 8.150 nan 0.000 0.442 180 G N -1.613 107.229 108.800 0.070 0.000 2.402 180 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 180 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 180 G C 1.537 176.475 174.900 0.062 0.000 1.162 180 G CA 1.193 46.322 45.100 0.048 0.000 0.777 180 G HN 0.610 nan 8.290 nan 0.000 0.539 181 Y N 1.950 122.263 120.300 0.021 0.000 2.081 181 Y HA -0.212 4.337 4.550 -0.000 0.000 0.280 181 Y C 2.621 178.545 175.900 0.040 0.000 1.163 181 Y CA 2.317 60.443 58.100 0.044 0.000 1.135 181 Y CB -0.335 38.172 38.460 0.078 0.000 0.970 181 Y HN 0.151 nan 8.280 nan 0.000 0.498 182 N N 0.399 119.081 118.700 -0.029 0.000 2.188 182 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 182 N C 1.996 177.416 175.510 -0.150 0.000 1.018 182 N CA 1.177 54.150 53.050 -0.129 0.000 0.858 182 N CB -0.432 38.099 38.487 0.074 0.000 0.989 182 N HN 0.548 nan 8.380 nan 0.000 0.426 183 A N 1.507 124.272 122.820 -0.091 0.000 1.865 183 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 183 A C 2.432 179.927 177.584 -0.147 0.000 1.191 183 A CA 2.049 54.031 52.037 -0.091 0.000 0.623 183 A CB -0.901 18.067 19.000 -0.054 0.000 0.826 183 A HN 0.327 nan 8.150 nan 0.000 0.444 184 A N -0.226 122.479 122.820 -0.190 0.000 1.908 184 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 184 A C 2.253 179.605 177.584 -0.386 0.000 1.181 184 A CA 2.075 53.952 52.037 -0.267 0.000 0.627 184 A CB -0.540 18.299 19.000 -0.269 0.000 0.818 184 A HN 0.622 nan 8.150 nan 0.000 0.445 185 R N -0.512 119.714 120.500 -0.457 0.000 2.073 185 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 185 R C 1.818 177.996 176.300 -0.203 0.000 1.134 185 R CA 1.939 57.803 56.100 -0.393 0.000 0.952 185 R CB -0.314 29.764 30.300 -0.370 0.000 0.850 185 R HN 0.417 nan 8.270 nan 0.000 0.433 186 I N 1.162 121.637 120.570 -0.158 0.000 2.286 186 I HA -0.110 4.059 4.170 -0.000 0.000 0.245 186 I C 2.569 178.631 176.117 -0.092 0.000 1.104 186 I CA 1.415 62.660 61.300 -0.091 0.000 1.397 186 I CB -1.624 36.337 38.000 -0.064 0.000 1.072 186 I HN 0.328 nan 8.210 nan 0.000 0.417 187 A N 0.995 123.747 122.820 -0.113 0.000 1.940 187 A HA -0.283 4.037 4.320 -0.000 0.000 0.219 187 A C 2.173 179.693 177.584 -0.106 0.000 1.176 187 A CA 2.322 54.300 52.037 -0.097 0.000 0.631 187 A CB -1.081 17.859 19.000 -0.100 0.000 0.814 187 A HN 0.511 nan 8.150 nan 0.000 0.446 188 N N -0.230 118.374 118.700 -0.160 0.000 2.142 188 N HA -0.040 4.700 4.740 -0.000 0.000 0.186 188 N C 1.733 177.190 175.510 -0.088 0.000 1.023 188 N CA 1.751 54.705 53.050 -0.160 0.000 0.852 188 N CB -0.526 37.784 38.487 -0.294 0.000 0.998 188 N HN 0.290 nan 8.380 nan 0.000 0.424 189 G N 0.000 108.759 108.800 -0.068 0.000 2.448 189 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 189 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 189 G C 1.309 176.195 174.900 -0.023 0.000 1.127 189 G CA 0.566 45.652 45.100 -0.024 0.000 0.766 189 G HN 0.343 nan 8.290 nan 0.000 0.552 190 M N 0.173 119.752 119.600 -0.034 0.000 2.659 190 M HA 0.217 4.697 4.480 -0.000 0.000 0.243 190 M C 1.857 178.142 176.300 -0.024 0.000 1.111 190 M CA 0.822 56.106 55.300 -0.025 0.000 1.070 190 M CB 0.410 32.993 32.600 -0.027 0.000 1.525 190 M HN 0.362 nan 8.290 nan 0.000 0.517 191 G N 0.338 109.120 108.800 -0.030 0.000 2.176 191 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.232 191 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.232 191 G C 0.191 175.075 174.900 -0.027 0.000 0.986 191 G CA -0.102 44.984 45.100 -0.024 0.000 0.643 191 G HN 0.672 nan 8.290 nan 0.000 0.522 192 A N 0.231 123.029 122.820 -0.037 0.000 2.425 192 A HA 0.633 4.953 4.320 -0.000 0.000 0.242 192 A C 0.804 178.369 177.584 -0.032 0.000 1.077 192 A CA 1.118 53.135 52.037 -0.034 0.000 0.781 192 A CB 0.273 19.247 19.000 -0.043 0.000 1.020 192 A HN 0.823 nan 8.150 nan 0.000 0.494 193 T N 2.050 116.600 114.554 -0.007 0.000 2.727 193 T HA 0.415 4.765 4.350 -0.000 0.000 0.295 193 T C -0.141 174.577 174.700 0.030 0.000 0.915 193 T CA -0.068 62.052 62.100 0.033 0.000 1.066 193 T CB -0.001 68.907 68.868 0.066 0.000 0.891 193 T HN 0.391 nan 8.240 nan 0.000 0.516 194 V N 4.506 124.420 119.914 0.001 0.000 2.398 194 V HA 0.430 4.550 4.120 -0.000 0.000 0.286 194 V C 0.440 176.556 176.094 0.037 0.000 1.026 194 V CA -0.731 61.548 62.300 -0.035 0.000 0.868 194 V CB 1.735 33.472 31.823 -0.144 0.000 0.982 194 V HN 0.870 nan 8.190 nan 0.000 0.443 195 T N 4.468 119.045 114.554 0.039 0.000 2.786 195 T HA 0.570 4.920 4.350 -0.000 0.000 0.283 195 T C -0.329 174.378 174.700 0.012 0.000 0.992 195 T CA -0.362 61.776 62.100 0.062 0.000 0.954 195 T CB 1.522 70.415 68.868 0.041 0.000 0.934 195 T HN 0.352 nan 8.240 nan 0.000 0.440 196 V N 4.718 124.643 119.914 0.017 0.000 2.483 196 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 196 V C -0.423 175.683 176.094 0.020 0.000 1.035 196 V CA -0.869 61.437 62.300 0.009 0.000 0.896 196 V CB 1.469 33.296 31.823 0.007 0.000 0.986 196 V HN 0.677 nan 8.190 nan 0.000 0.447 197 L N 4.324 125.550 121.223 0.003 0.000 2.346 197 L HA 0.734 5.074 4.340 -0.000 0.000 0.276 197 L C -0.357 176.492 176.870 -0.035 0.000 1.006 197 L CA 0.141 54.970 54.840 -0.018 0.000 0.817 197 L CB 1.754 43.793 42.059 -0.034 0.000 1.272 197 L HN 0.636 nan 8.230 nan 0.000 0.421 198 D N 0.758 121.115 120.400 -0.071 0.000 2.609 198 D HA 0.342 4.982 4.640 -0.000 0.000 0.239 198 D C 0.363 176.532 176.300 -0.218 0.000 1.229 198 D CA -0.427 53.520 54.000 -0.088 0.000 0.808 198 D CB 2.206 42.999 40.800 -0.012 0.000 1.448 198 D HN 0.462 nan 8.370 nan 0.000 0.433 199 I N -0.891 119.558 120.570 -0.202 0.000 3.226 199 I HA 0.210 4.380 4.170 -0.000 0.000 0.277 199 I C 0.712 176.848 176.117 0.032 0.000 1.243 199 I CA 0.004 61.157 61.300 -0.245 0.000 1.459 199 I CB -0.021 37.895 38.000 -0.140 0.000 1.093 199 I HN -0.022 nan 8.210 nan 0.000 0.453 200 N N 2.481 121.202 118.700 0.036 0.000 2.469 200 N HA 0.268 5.008 4.740 -0.000 0.000 0.239 200 N C 0.731 176.305 175.510 0.107 0.000 1.053 200 N CA -0.040 53.058 53.050 0.080 0.000 0.937 200 N CB 0.930 39.447 38.487 0.050 0.000 1.163 200 N HN 0.287 nan 8.380 nan 0.000 0.509 201 I N 1.695 122.356 120.570 0.152 0.000 2.394 201 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 201 I C 1.210 177.385 176.117 0.096 0.000 1.136 201 I CA 0.697 62.086 61.300 0.149 0.000 1.425 201 I CB 0.038 38.125 38.000 0.145 0.000 1.079 201 I HN 0.418 nan 8.210 nan 0.000 0.425 202 D N 1.481 121.926 120.400 0.075 0.000 2.123 202 D HA -0.195 4.444 4.640 -0.000 0.000 0.196 202 D C 2.071 178.405 176.300 0.057 0.000 0.992 202 D CA 1.330 55.364 54.000 0.056 0.000 0.833 202 D CB -0.257 40.568 40.800 0.042 0.000 0.954 202 D HN 0.385 nan 8.370 nan 0.000 0.455 203 K N 0.219 120.656 120.400 0.061 0.000 2.148 203 K HA 0.007 4.327 4.320 -0.000 0.000 0.204 203 K C 2.358 179.010 176.600 0.086 0.000 1.050 203 K CA 0.362 56.687 56.287 0.063 0.000 0.942 203 K CB -0.002 32.533 32.500 0.058 0.000 0.724 203 K HN 0.157 nan 8.250 nan 0.000 0.446 204 L N 0.315 121.592 121.223 0.091 0.000 2.056 204 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 204 L C 2.673 179.604 176.870 0.101 0.000 1.078 204 L CA 1.066 55.967 54.840 0.102 0.000 0.749 204 L CB -0.406 41.718 42.059 0.109 0.000 0.901 204 L HN 0.163 nan 8.230 nan 0.000 0.433 205 R N 0.257 120.809 120.500 0.087 0.000 2.091 205 R HA -0.215 4.125 4.340 -0.000 0.000 0.238 205 R C 2.369 178.713 176.300 0.074 0.000 1.136 205 R CA 1.716 57.860 56.100 0.074 0.000 0.959 205 R CB -0.095 30.239 30.300 0.058 0.000 0.856 205 R HN 0.427 nan 8.270 nan 0.000 0.437 206 Q N 0.104 119.947 119.800 0.071 0.000 2.050 206 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 206 Q C 2.283 178.360 176.000 0.127 0.000 0.980 206 Q CA 1.658 57.501 55.803 0.067 0.000 0.840 206 Q CB -0.148 28.613 28.738 0.037 0.000 0.898 206 Q HN 0.378 nan 8.270 nan 0.000 0.424 207 L N 0.535 121.870 121.223 0.187 0.000 2.079 207 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 207 L C 2.078 179.124 176.870 0.294 0.000 1.081 207 L CA 1.362 56.389 54.840 0.312 0.000 0.752 207 L CB -0.294 41.911 42.059 0.243 0.000 0.896 207 L HN 0.285 nan 8.230 nan 0.000 0.433 208 D N -0.470 120.034 120.400 0.173 0.000 2.144 208 D HA -0.163 4.477 4.640 -0.000 0.000 0.200 208 D C 2.079 178.447 176.300 0.113 0.000 0.978 208 D CA 1.236 55.316 54.000 0.134 0.000 0.833 208 D CB 0.205 41.063 40.800 0.097 0.000 0.961 208 D HN 0.286 nan 8.370 nan 0.000 0.470 209 A N 0.118 122.989 122.820 0.086 0.000 1.898 209 A HA -0.068 4.251 4.320 -0.000 0.000 0.214 209 A C 2.131 179.717 177.584 0.002 0.000 1.183 209 A CA 1.382 53.443 52.037 0.039 0.000 0.622 209 A CB -0.688 18.325 19.000 0.021 0.000 0.824 209 A HN 0.336 nan 8.150 nan 0.000 0.444 210 E N -1.259 118.930 120.200 -0.019 0.000 2.110 210 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 210 E C 0.658 177.003 176.600 -0.426 0.000 0.988 210 E CA 1.241 57.496 56.400 -0.241 0.000 0.804 210 E CB -0.129 29.381 29.700 -0.316 0.000 0.745 210 E HN 0.634 nan 8.360 nan 0.000 0.458 211 F N -1.156 118.811 119.950 0.029 0.000 2.654 211 F HA 0.252 4.779 4.527 -0.000 0.000 0.303 211 F C 0.465 176.257 175.800 -0.014 0.000 1.099 211 F CA -0.445 57.555 58.000 0.000 0.000 1.270 211 F CB 0.440 39.428 39.000 -0.019 0.000 1.024 211 F HN -0.030 nan 8.300 nan 0.000 0.548 212 C N 2.061 121.426 119.300 0.109 0.000 4.028 212 C HA -0.104 4.356 4.460 -0.000 0.000 0.300 212 C C 1.801 176.832 174.990 0.067 0.000 1.399 212 C CA 0.568 59.626 59.018 0.067 0.000 2.051 212 C CB -1.863 25.901 27.740 0.040 0.000 1.318 212 C HN 1.126 nan 8.230 nan 0.000 0.696 213 G N -0.209 108.638 108.800 0.079 0.000 2.184 213 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.264 213 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.264 213 G C 1.099 175.951 174.900 -0.080 0.000 0.975 213 G CA 0.820 45.938 45.100 0.030 0.000 0.642 213 G HN 0.712 nan 8.290 nan 0.000 0.536 214 R N 0.222 120.694 120.500 -0.046 0.000 2.083 214 R HA 0.068 4.408 4.340 -0.000 0.000 0.237 214 R C 1.317 177.393 176.300 -0.374 0.000 1.137 214 R CA 1.125 57.135 56.100 -0.150 0.000 0.951 214 R CB -0.322 29.970 30.300 -0.013 0.000 0.851 214 R HN 0.533 nan 8.270 nan 0.000 0.434 215 I N 2.618 123.018 120.570 -0.283 0.000 2.337 215 I HA 0.027 4.197 4.170 -0.000 0.000 0.291 215 I C 0.114 176.082 176.117 -0.248 0.000 1.046 215 I CA -0.258 60.834 61.300 -0.347 0.000 1.324 215 I CB 0.734 38.474 38.000 -0.435 0.000 1.409 215 I HN 0.101 nan 8.210 nan 0.000 0.494 216 H N 4.553 123.603 119.070 -0.034 0.000 2.707 216 H HA 0.251 4.807 4.556 -0.000 0.000 0.359 216 H C 0.189 175.520 175.328 0.005 0.000 1.113 216 H CA -0.036 56.010 56.048 -0.003 0.000 1.422 216 H CB 1.032 30.788 29.762 -0.009 0.000 1.443 216 H HN 0.522 nan 8.280 nan 0.000 0.591 217 T N 1.337 115.983 114.554 0.153 0.000 2.861 217 T HA 0.607 4.957 4.350 -0.000 0.000 0.287 217 T C -0.048 174.717 174.700 0.109 0.000 1.003 217 T CA -1.249 60.915 62.100 0.107 0.000 0.977 217 T CB 2.105 71.034 68.868 0.102 0.000 0.996 217 T HN 0.386 nan 8.240 nan 0.000 0.448 218 R N 1.783 122.338 120.500 0.091 0.000 2.628 218 R HA 0.320 4.660 4.340 -0.000 0.000 0.288 218 R C -1.226 175.142 176.300 0.114 0.000 0.980 218 R CA -0.878 55.283 56.100 0.102 0.000 0.891 218 R CB 1.780 32.120 30.300 0.066 0.000 1.188 218 R HN 0.879 nan 8.270 nan 0.000 0.450 219 Y N 1.095 121.424 120.300 0.049 0.000 2.610 219 Y HA -0.064 4.486 4.550 -0.000 0.000 0.332 219 Y C 0.967 176.895 175.900 0.047 0.000 1.201 219 Y CA 0.845 58.973 58.100 0.047 0.000 1.465 219 Y CB 0.868 39.356 38.460 0.046 0.000 1.283 219 Y HN 0.558 nan 8.280 nan 0.000 0.563 220 S N 5.038 120.364 115.700 -0.623 0.000 4.085 220 S HA 0.091 4.561 4.470 -0.000 0.000 0.189 220 S C -0.204 174.229 174.600 -0.279 0.000 1.392 220 S CA -0.160 57.824 58.200 -0.361 0.000 0.972 220 S CB -1.477 61.539 63.200 -0.306 0.000 1.482 220 S HN 0.708 nan 8.310 nan 0.000 0.446 221 S N 1.520 117.212 115.700 -0.014 0.000 2.632 221 S HA 0.623 5.093 4.470 -0.000 0.000 0.267 221 S C 1.558 176.213 174.600 0.092 0.000 1.276 221 S CA -0.314 57.969 58.200 0.139 0.000 0.998 221 S CB 1.261 64.633 63.200 0.286 0.000 0.953 221 S HN 0.509 nan 8.310 nan 0.000 0.547 222 A N 0.942 123.824 122.820 0.103 0.000 1.908 222 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 222 A C 1.921 179.563 177.584 0.097 0.000 1.181 222 A CA 1.750 53.836 52.037 0.081 0.000 0.627 222 A CB -1.457 17.591 19.000 0.081 0.000 0.818 222 A HN 1.054 nan 8.150 nan 0.000 0.445 223 Y N 0.568 120.881 120.300 0.021 0.000 2.181 223 Y HA -0.174 4.376 4.550 -0.000 0.000 0.288 223 Y C 2.346 178.251 175.900 0.008 0.000 1.146 223 Y CA 2.140 60.246 58.100 0.011 0.000 1.164 223 Y CB -0.015 38.456 38.460 0.018 0.000 0.982 223 Y HN 0.311 nan 8.280 nan 0.000 0.515 224 E N 0.314 120.545 120.200 0.052 0.000 2.072 224 E HA -0.182 4.168 4.350 -0.000 0.000 0.190 224 E C 2.335 178.884 176.600 -0.085 0.000 0.982 224 E CA 1.082 57.461 56.400 -0.035 0.000 0.803 224 E CB -0.656 29.097 29.700 0.088 0.000 0.755 224 E HN 0.565 nan 8.360 nan 0.000 0.453 225 L N 1.318 122.515 121.223 -0.044 0.000 2.017 225 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 225 L C 2.232 179.055 176.870 -0.078 0.000 1.073 225 L CA 1.563 56.373 54.840 -0.049 0.000 0.745 225 L CB -0.069 41.976 42.059 -0.023 0.000 0.894 225 L HN 0.083 nan 8.230 nan 0.000 0.432 226 E N -0.663 119.479 120.200 -0.096 0.000 2.106 226 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 226 E C 2.017 178.515 176.600 -0.169 0.000 0.984 226 E CA 0.918 57.249 56.400 -0.115 0.000 0.806 226 E CB -0.331 29.305 29.700 -0.107 0.000 0.750 226 E HN 0.704 nan 8.360 nan 0.000 0.458 227 G N 1.527 110.169 108.800 -0.262 0.000 2.433 227 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 227 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 227 G C 1.733 176.530 174.900 -0.172 0.000 1.186 227 G CA 1.028 45.959 45.100 -0.280 0.000 0.779 227 G HN 0.348 nan 8.290 nan 0.000 0.543 228 A N 0.002 122.737 122.820 -0.141 0.000 1.908 228 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 228 A C 2.609 180.141 177.584 -0.087 0.000 1.181 228 A CA 1.955 53.934 52.037 -0.097 0.000 0.627 228 A CB -0.701 18.256 19.000 -0.071 0.000 0.818 228 A HN 0.284 nan 8.150 nan 0.000 0.445 229 V N -0.050 119.811 119.914 -0.089 0.000 2.427 229 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 229 V C 2.405 178.450 176.094 -0.081 0.000 1.051 229 V CA 2.288 64.535 62.300 -0.090 0.000 1.048 229 V CB -0.627 31.141 31.823 -0.092 0.000 0.666 229 V HN 0.543 nan 8.190 nan 0.000 0.456 230 K N -0.259 120.094 120.400 -0.078 0.000 2.147 230 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 230 K C 2.220 178.787 176.600 -0.055 0.000 1.049 230 K CA 1.178 57.430 56.287 -0.059 0.000 0.936 230 K CB -0.141 32.315 32.500 -0.075 0.000 0.722 230 K HN 0.401 nan 8.250 nan 0.000 0.446 231 R N 0.049 120.509 120.500 -0.067 0.000 2.276 231 R HA 0.153 4.493 4.340 -0.000 0.000 0.196 231 R C 0.303 176.571 176.300 -0.053 0.000 0.961 231 R CA -0.067 55.998 56.100 -0.058 0.000 1.024 231 R CB 0.417 30.677 30.300 -0.066 0.000 0.940 231 R HN 0.017 nan 8.270 nan 0.000 0.480 232 A N 1.191 123.976 122.820 -0.059 0.000 2.354 232 A HA 0.105 4.425 4.320 -0.000 0.000 0.269 232 A C 0.197 177.748 177.584 -0.055 0.000 1.109 232 A CA -0.494 51.507 52.037 -0.059 0.000 0.800 232 A CB 0.524 19.480 19.000 -0.073 0.000 1.045 232 A HN 0.069 nan 8.150 nan 0.000 0.489 233 D N 0.316 120.688 120.400 -0.047 0.000 2.213 233 D HA 0.041 4.681 4.640 -0.000 0.000 0.205 233 D C -0.053 176.217 176.300 -0.050 0.000 0.961 233 D CA 1.107 55.081 54.000 -0.042 0.000 0.853 233 D CB 0.206 40.986 40.800 -0.033 0.000 0.967 233 D HN 0.346 nan 8.370 nan 0.000 0.496 234 L N 0.952 122.141 121.223 -0.057 0.000 2.438 234 L HA 0.340 4.680 4.340 -0.000 0.000 0.270 234 L C -1.378 175.446 176.870 -0.077 0.000 0.972 234 L CA -0.734 54.067 54.840 -0.064 0.000 0.831 234 L CB 2.306 44.337 42.059 -0.047 0.000 1.273 234 L HN -0.357 nan 8.230 nan 0.000 0.405 235 V N 6.331 126.180 119.914 -0.108 0.000 2.459 235 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 235 V C -0.018 176.081 176.094 0.007 0.000 1.029 235 V CA -0.385 61.859 62.300 -0.093 0.000 0.874 235 V CB 1.650 33.338 31.823 -0.224 0.000 0.985 235 V HN 0.618 nan 8.190 nan 0.000 0.438 236 I N 3.987 124.587 120.570 0.050 0.000 2.354 236 I HA 0.477 4.647 4.170 -0.000 0.000 0.286 236 I C 0.818 177.003 176.117 0.113 0.000 1.007 236 I CA -0.291 61.056 61.300 0.080 0.000 1.167 236 I CB 1.617 39.620 38.000 0.004 0.000 1.320 236 I HN 0.730 nan 8.210 nan 0.000 0.458 237 G N 4.547 113.422 108.800 0.126 0.000 2.356 237 G HA2 0.530 4.490 3.960 -0.000 0.000 0.300 237 G HA3 0.530 4.490 3.960 -0.000 0.000 0.300 237 G C 0.195 175.024 174.900 -0.118 0.000 1.107 237 G CA -0.229 44.839 45.100 -0.054 0.000 0.960 237 G HN 0.788 nan 8.290 nan 0.000 0.418 238 A N 3.362 126.147 122.820 -0.057 0.000 2.663 238 A HA 0.538 4.858 4.320 -0.000 0.000 0.273 238 A C 0.034 177.599 177.584 -0.031 0.000 0.932 238 A CA -0.198 51.813 52.037 -0.043 0.000 1.055 238 A CB 0.509 19.503 19.000 -0.011 0.000 1.206 238 A HN 0.564 nan 8.150 nan 0.000 0.485 239 V N 0.653 120.537 119.914 -0.049 0.000 2.567 239 V HA 0.553 4.673 4.120 -0.000 0.000 0.289 239 V C -0.128 175.946 176.094 -0.033 0.000 1.049 239 V CA -0.268 62.012 62.300 -0.033 0.000 0.969 239 V CB 1.554 33.357 31.823 -0.034 0.000 0.995 239 V HN 0.582 nan 8.190 nan 0.000 0.471 240 L N 6.090 127.304 121.223 -0.015 0.000 2.436 240 L HA 0.785 5.125 4.340 -0.000 0.000 0.268 240 L C -0.814 176.055 176.870 -0.002 0.000 0.974 240 L CA -0.634 54.200 54.840 -0.010 0.000 0.826 240 L CB 2.175 44.234 42.059 -0.000 0.000 1.291 240 L HN 0.534 nan 8.230 nan 0.000 0.406 241 V N 2.514 122.426 119.914 -0.002 0.000 2.357 241 V HA 0.639 4.759 4.120 -0.000 0.000 0.284 241 V C -2.445 173.653 176.094 0.007 0.000 1.018 241 V CA -2.215 60.087 62.300 0.004 0.000 0.841 241 V CB 0.658 32.482 31.823 0.002 0.000 0.991 241 V HN 0.670 nan 8.190 nan 0.000 0.437 242 P HA 0.252 nan 4.420 nan 0.000 0.261 242 P C 1.136 178.442 177.300 0.010 0.000 1.183 242 P CA 1.837 64.945 63.100 0.015 0.000 0.761 242 P CB 0.658 32.368 31.700 0.017 0.000 0.785 243 G N 1.832 110.638 108.800 0.011 0.000 2.162 243 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.260 243 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.260 243 G C 0.227 175.128 174.900 0.002 0.000 0.976 243 G CA 0.025 45.127 45.100 0.005 0.000 0.655 243 G HN 0.892 nan 8.290 nan 0.000 0.533 244 A N -0.539 122.283 122.820 0.003 0.000 2.454 244 A HA 0.773 5.092 4.320 -0.000 0.000 0.302 244 A C 0.214 177.796 177.584 -0.002 0.000 1.079 244 A CA -0.626 51.412 52.037 0.000 0.000 0.731 244 A CB 1.249 20.249 19.000 0.001 0.000 1.299 244 A HN 0.177 nan 8.150 nan 0.000 0.413 245 K N 0.800 121.198 120.400 -0.004 0.000 2.440 245 K HA 0.256 4.576 4.320 -0.000 0.000 0.270 245 K C 0.641 177.234 176.600 -0.012 0.000 0.980 245 K CA 0.483 56.765 56.287 -0.009 0.000 0.953 245 K CB 0.422 32.918 32.500 -0.007 0.000 0.925 245 K HN 0.876 nan 8.250 nan 0.000 0.497 246 A N 4.797 127.604 122.820 -0.023 0.000 2.520 246 A HA 0.174 4.494 4.320 -0.000 0.000 0.245 246 A C -1.852 175.724 177.584 -0.013 0.000 1.072 246 A CA -0.946 51.073 52.037 -0.029 0.000 0.761 246 A CB -0.532 18.432 19.000 -0.059 0.000 1.004 246 A HN 0.380 nan 8.150 nan 0.000 0.499 247 P HA 0.146 nan 4.420 nan 0.000 0.271 247 P C -0.902 176.413 177.300 0.025 0.000 1.218 247 P CA -0.202 62.905 63.100 0.011 0.000 0.780 247 P CB 0.587 32.294 31.700 0.012 0.000 0.901 248 K N 3.460 123.887 120.400 0.046 0.000 2.219 248 K HA 0.217 4.537 4.320 -0.000 0.000 0.280 248 K C 0.963 177.620 176.600 0.096 0.000 1.104 248 K CA -0.262 56.075 56.287 0.082 0.000 0.925 248 K CB 0.183 32.738 32.500 0.091 0.000 1.261 248 K HN 0.491 nan 8.250 nan 0.000 0.445 249 L N 0.955 122.247 121.223 0.115 0.000 2.416 249 L HA 0.063 4.403 4.340 -0.000 0.000 0.216 249 L C 0.462 177.406 176.870 0.123 0.000 1.098 249 L CA 0.321 55.222 54.840 0.103 0.000 0.840 249 L CB 0.417 42.526 42.059 0.084 0.000 0.981 249 L HN 0.087 nan 8.230 nan 0.000 0.462 250 V N 0.459 120.490 119.914 0.196 0.000 2.326 250 V HA 0.227 4.347 4.120 -0.000 0.000 0.281 250 V C 0.246 176.439 176.094 0.166 0.000 1.015 250 V CA -0.698 61.686 62.300 0.140 0.000 0.823 250 V CB 1.230 33.080 31.823 0.045 0.000 1.009 250 V HN 0.248 nan 8.190 nan 0.000 0.436 251 S N 3.545 119.319 115.700 0.123 0.000 2.601 251 S HA 0.268 4.738 4.470 -0.000 0.000 0.271 251 S C 0.989 175.679 174.600 0.151 0.000 1.305 251 S CA -0.589 57.691 58.200 0.133 0.000 1.022 251 S CB 0.965 64.226 63.200 0.101 0.000 0.940 251 S HN 0.585 nan 8.310 nan 0.000 0.525 252 N N 1.649 120.449 118.700 0.166 0.000 2.205 252 N HA -0.113 4.627 4.740 -0.000 0.000 0.186 252 N C 1.811 177.430 175.510 0.181 0.000 1.015 252 N CA 1.394 54.568 53.050 0.206 0.000 0.862 252 N CB -0.830 37.766 38.487 0.182 0.000 0.986 252 N HN 0.701 nan 8.380 nan 0.000 0.429 253 S N 0.516 116.288 115.700 0.121 0.000 2.368 253 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 253 S C 1.816 176.497 174.600 0.135 0.000 1.030 253 S CA 0.536 58.782 58.200 0.077 0.000 0.999 253 S CB -0.261 62.997 63.200 0.097 0.000 0.844 253 S HN 0.225 nan 8.310 nan 0.000 0.459 254 L N 1.782 123.089 121.223 0.141 0.000 2.046 254 L HA 0.025 4.365 4.340 -0.000 0.000 0.208 254 L C 2.251 179.186 176.870 0.108 0.000 1.077 254 L CA 1.662 56.589 54.840 0.145 0.000 0.747 254 L CB -0.938 41.157 42.059 0.061 0.000 0.896 254 L HN 0.215 nan 8.230 nan 0.000 0.432 255 V N 0.223 120.187 119.914 0.084 0.000 2.490 255 V HA -0.275 3.845 4.120 -0.000 0.000 0.250 255 V C 2.781 178.868 176.094 -0.012 0.000 1.061 255 V CA 1.456 63.808 62.300 0.086 0.000 1.064 255 V CB -1.366 30.592 31.823 0.225 0.000 0.670 255 V HN 0.616 nan 8.190 nan 0.000 0.461 256 A N -0.888 121.787 122.820 -0.241 0.000 2.070 256 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 256 A C 1.804 179.122 177.584 -0.443 0.000 1.159 256 A CA 1.747 53.422 52.037 -0.604 0.000 0.656 256 A CB -0.710 17.712 19.000 -0.963 0.000 0.800 256 A HN 0.746 nan 8.150 nan 0.000 0.453 257 H N -1.610 117.386 119.070 -0.124 0.000 2.551 257 H HA 0.345 4.900 4.556 -0.000 0.000 0.271 257 H C 0.590 175.879 175.328 -0.066 0.000 0.984 257 H CA -0.197 55.800 56.048 -0.085 0.000 1.164 257 H CB 0.016 29.734 29.762 -0.073 0.000 1.437 257 H HN 0.413 nan 8.280 nan 0.000 0.550 258 M N 0.721 120.333 119.600 0.021 0.000 2.227 258 M HA 0.146 4.626 4.480 -0.000 0.000 0.316 258 M C 0.247 176.542 176.300 -0.009 0.000 1.144 258 M CA -0.188 55.112 55.300 0.000 0.000 1.121 258 M CB 0.909 33.499 32.600 -0.016 0.000 1.440 258 M HN 0.040 nan 8.290 nan 0.000 0.473 259 K N 1.631 122.023 120.400 -0.014 0.000 2.451 259 K HA 0.160 4.480 4.320 -0.000 0.000 0.280 259 K C -2.373 174.221 176.600 -0.010 0.000 1.020 259 K CA -1.327 54.952 56.287 -0.014 0.000 1.008 259 K CB -0.422 32.067 32.500 -0.019 0.000 0.917 259 K HN 0.232 nan 8.250 nan 0.000 0.478 260 P HA -0.089 nan 4.420 nan 0.000 0.264 260 P C 0.659 177.959 177.300 0.001 0.000 1.183 260 P CA 0.771 63.871 63.100 0.000 0.000 0.763 260 P CB 0.534 32.233 31.700 -0.001 0.000 0.807 261 G N 1.464 110.269 108.800 0.008 0.000 2.179 261 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.260 261 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.260 261 G C 0.480 175.382 174.900 0.004 0.000 0.977 261 G CA 0.017 45.123 45.100 0.009 0.000 0.641 261 G HN 0.858 nan 8.290 nan 0.000 0.533 262 A N -0.490 122.327 122.820 -0.005 0.000 2.483 262 A HA 0.608 4.928 4.320 -0.000 0.000 0.238 262 A C 0.533 178.102 177.584 -0.024 0.000 1.070 262 A CA 0.741 52.765 52.037 -0.022 0.000 0.770 262 A CB 0.811 19.789 19.000 -0.038 0.000 1.008 262 A HN 1.202 nan 8.150 nan 0.000 0.497 263 V N 2.584 122.472 119.914 -0.043 0.000 2.513 263 V HA 0.462 4.582 4.120 -0.000 0.000 0.299 263 V C -0.640 175.373 176.094 -0.134 0.000 1.035 263 V CA -0.336 61.935 62.300 -0.049 0.000 0.889 263 V CB 1.283 33.106 31.823 0.000 0.000 0.988 263 V HN 0.678 nan 8.190 nan 0.000 0.440 264 L N 5.282 126.375 121.223 -0.216 0.000 2.343 264 L HA 0.587 4.927 4.340 -0.000 0.000 0.278 264 L C -0.421 176.401 176.870 -0.081 0.000 0.996 264 L CA -0.228 54.397 54.840 -0.358 0.000 0.831 264 L CB 1.932 43.352 42.059 -1.064 0.000 1.232 264 L HN 0.369 nan 8.230 nan 0.000 0.413 265 V N 1.952 121.917 119.914 0.086 0.000 2.334 265 V HA 0.324 4.444 4.120 -0.000 0.000 0.281 265 V C -0.579 175.590 176.094 0.126 0.000 1.016 265 V CA -0.458 61.913 62.300 0.118 0.000 0.832 265 V CB 1.528 33.329 31.823 -0.037 0.000 0.999 265 V HN 0.604 nan 8.190 nan 0.000 0.439 266 D N 4.503 124.916 120.400 0.023 0.000 2.467 266 D HA 0.369 5.009 4.640 -0.000 0.000 0.220 266 D C 1.038 177.237 176.300 -0.167 0.000 1.103 266 D CA -0.225 53.566 54.000 -0.349 0.000 0.886 266 D CB 1.120 41.588 40.800 -0.553 0.000 1.025 266 D HN 0.456 nan 8.370 nan 0.000 0.514 267 I N 1.804 122.294 120.570 -0.134 0.000 2.394 267 I HA -0.174 3.996 4.170 -0.000 0.000 0.251 267 I C 1.975 178.027 176.117 -0.109 0.000 1.136 267 I CA 0.617 61.871 61.300 -0.077 0.000 1.425 267 I CB -0.004 37.966 38.000 -0.050 0.000 1.079 267 I HN 0.345 nan 8.210 nan 0.000 0.425 268 A N 0.436 123.156 122.820 -0.167 0.000 2.291 268 A HA 0.039 4.359 4.320 -0.000 0.000 0.220 268 A C 1.952 179.449 177.584 -0.146 0.000 1.262 268 A CA 0.109 52.057 52.037 -0.148 0.000 0.867 268 A CB -0.643 18.260 19.000 -0.161 0.000 0.888 268 A HN 0.346 nan 8.150 nan 0.000 0.487 269 I N 1.184 121.670 120.570 -0.140 0.000 2.423 269 I HA -0.244 3.926 4.170 -0.000 0.000 0.254 269 I C 1.895 177.950 176.117 -0.103 0.000 1.151 269 I CA 2.061 63.298 61.300 -0.106 0.000 1.421 269 I CB -0.176 37.779 38.000 -0.076 0.000 1.079 269 I HN 0.554 nan 8.210 nan 0.000 0.431 270 D N -0.499 119.829 120.400 -0.121 0.000 2.310 270 D HA -0.206 4.434 4.640 -0.000 0.000 0.212 270 D C 1.307 177.534 176.300 -0.123 0.000 0.965 270 D CA 0.993 54.902 54.000 -0.151 0.000 0.879 270 D CB -0.528 40.150 40.800 -0.204 0.000 0.921 270 D HN 0.458 nan 8.370 nan 0.000 0.510 271 Q N -0.500 119.246 119.800 -0.091 0.000 2.186 271 Q HA 0.355 4.695 4.340 -0.000 0.000 0.241 271 Q C 0.832 176.800 176.000 -0.053 0.000 0.849 271 Q CA 0.300 56.066 55.803 -0.061 0.000 1.053 271 Q CB 1.137 29.847 28.738 -0.047 0.000 1.146 271 Q HN 0.513 nan 8.270 nan 0.000 0.475 272 G N 0.123 108.887 108.800 -0.059 0.000 2.213 272 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.226 272 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.226 272 G C 0.428 175.305 174.900 -0.038 0.000 0.992 272 G CA 0.013 45.089 45.100 -0.040 0.000 0.632 272 G HN 0.845 nan 8.290 nan 0.000 0.511 273 G N -1.908 106.845 108.800 -0.079 0.000 2.788 273 G HA2 0.246 4.206 3.960 -0.000 0.000 0.686 273 G HA3 0.246 4.206 3.960 -0.000 0.000 0.686 273 G C 0.981 175.795 174.900 -0.143 0.000 1.147 273 G CA 0.681 45.702 45.100 -0.132 0.000 0.755 273 G HN 2.069 nan 8.290 nan 0.000 0.634 274 C N 0.609 119.727 119.300 -0.303 0.000 2.855 274 C HA 0.714 5.174 4.460 -0.000 0.000 0.279 274 C C 0.872 175.854 174.990 -0.014 0.000 1.270 274 C CA -1.000 57.908 59.018 -0.183 0.000 1.702 274 C CB -1.821 25.810 27.740 -0.182 0.000 1.949 274 C HN 0.541 nan 8.230 nan 0.000 0.618 275 F N 1.393 121.378 119.950 0.057 0.000 2.443 275 F HA 0.376 4.903 4.527 -0.000 0.000 0.335 275 F C 1.688 177.599 175.800 0.183 0.000 1.104 275 F CA -0.799 57.271 58.000 0.116 0.000 1.013 275 F CB 0.973 40.047 39.000 0.123 0.000 1.136 275 F HN 0.133 nan 8.300 nan 0.000 0.470 276 E N 2.593 123.008 120.200 0.358 0.000 2.065 276 E HA -0.216 4.134 4.350 -0.000 0.000 0.201 276 E C 2.077 178.830 176.600 0.255 0.000 1.016 276 E CA 1.814 58.357 56.400 0.239 0.000 0.818 276 E CB -0.229 29.580 29.700 0.182 0.000 0.749 276 E HN 0.933 nan 8.360 nan 0.000 0.453 277 G N 0.039 109.049 108.800 0.350 0.000 2.920 277 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.208 277 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.208 277 G C 0.247 175.376 174.900 0.382 0.000 1.159 277 G CA 0.069 45.288 45.100 0.198 0.000 0.784 277 G HN 0.103 nan 8.290 nan 0.000 0.535 278 S N 0.418 116.485 115.700 0.612 0.000 2.549 278 S HA 0.484 4.954 4.470 -0.000 0.000 0.283 278 S C 0.270 175.046 174.600 0.294 0.000 1.320 278 S CA -0.115 58.436 58.200 0.585 0.000 1.058 278 S CB 0.837 64.250 63.200 0.356 0.000 0.882 278 S HN 0.722 nan 8.310 nan 0.000 0.498 279 R N 1.580 122.237 120.500 0.261 0.000 2.707 279 R HA 0.602 4.942 4.340 -0.000 0.000 0.272 279 R C -3.642 172.659 176.300 0.002 0.000 1.011 279 R CA -2.246 53.858 56.100 0.005 0.000 0.893 279 R CB -0.657 29.531 30.300 -0.187 0.000 1.233 279 R HN 0.189 nan 8.270 nan 0.000 0.464 280 P HA 0.031 nan 4.420 nan 0.000 0.263 280 P C -0.463 176.788 177.300 -0.081 0.000 1.195 280 P CA 0.164 63.224 63.100 -0.066 0.000 0.762 280 P CB 0.668 32.316 31.700 -0.086 0.000 0.799 281 T N 0.297 114.806 114.554 -0.074 0.000 2.922 281 T HA 0.702 5.052 4.350 -0.000 0.000 0.281 281 T C -0.141 174.445 174.700 -0.190 0.000 1.005 281 T CA -0.562 61.482 62.100 -0.094 0.000 0.982 281 T CB 1.057 69.893 68.868 -0.054 0.000 1.158 281 T HN 0.188 nan 8.240 nan 0.000 0.566 282 T N -0.109 114.341 114.554 -0.174 0.000 2.906 282 T HA 0.395 4.745 4.350 -0.000 0.000 0.295 282 T C 0.161 174.745 174.700 -0.194 0.000 1.061 282 T CA -0.582 61.410 62.100 -0.181 0.000 1.000 282 T CB 1.400 70.249 68.868 -0.031 0.000 1.103 282 T HN 0.644 nan 8.240 nan 0.000 0.486 283 Y N 0.500 120.774 120.300 -0.043 0.000 2.241 283 Y HA -0.197 4.352 4.550 -0.000 0.000 0.286 283 Y C 2.191 178.071 175.900 -0.034 0.000 1.166 283 Y CA 1.035 59.129 58.100 -0.010 0.000 1.203 283 Y CB -0.018 38.458 38.460 0.027 0.000 0.977 283 Y HN 0.602 nan 8.280 nan 0.000 0.529 284 D N -1.409 119.019 120.400 0.047 0.000 2.117 284 D HA -0.090 4.550 4.640 -0.000 0.000 0.198 284 D C 0.078 176.120 176.300 -0.430 0.000 0.982 284 D CA 1.467 55.361 54.000 -0.178 0.000 0.828 284 D CB -0.091 40.584 40.800 -0.209 0.000 0.967 284 D HN 0.390 nan 8.370 nan 0.000 0.464 285 H N -1.519 117.578 119.070 0.046 0.000 2.488 285 H HA 0.209 4.765 4.556 -0.000 0.000 0.237 285 H C -1.785 173.541 175.328 -0.003 0.000 1.395 285 H CA -1.118 54.956 56.048 0.042 0.000 1.491 285 H CB 1.657 31.438 29.762 0.031 0.000 1.567 285 H HN 0.023 nan 8.280 nan 0.000 0.508 286 P HA -0.085 nan 4.420 nan 0.000 0.225 286 P C 0.437 177.621 177.300 -0.193 0.000 1.156 286 P CA 0.807 63.784 63.100 -0.205 0.000 0.787 286 P CB 0.555 32.148 31.700 -0.179 0.000 0.802 287 T N -1.701 112.866 114.554 0.021 0.000 2.908 287 T HA 0.654 5.004 4.350 -0.000 0.000 0.290 287 T C -0.568 174.258 174.700 0.211 0.000 1.034 287 T CA -0.832 61.300 62.100 0.053 0.000 1.010 287 T CB 1.707 70.582 68.868 0.012 0.000 1.068 287 T HN 0.047 nan 8.240 nan 0.000 0.481 288 F N -0.693 119.286 119.950 0.049 0.000 2.626 288 F HA 0.880 5.407 4.527 -0.000 0.000 0.311 288 F C -0.538 175.265 175.800 0.006 0.000 1.088 288 F CA -1.974 56.031 58.000 0.008 0.000 0.949 288 F CB 0.926 39.901 39.000 -0.042 0.000 1.322 288 F HN 0.856 nan 8.300 nan 0.000 0.461 289 A N 1.672 124.529 122.820 0.063 0.000 2.366 289 A HA 0.601 4.921 4.320 -0.000 0.000 0.272 289 A C -0.690 176.811 177.584 -0.137 0.000 1.135 289 A CA -0.222 51.784 52.037 -0.051 0.000 0.804 289 A CB 0.571 19.570 19.000 -0.001 0.000 1.064 289 A HN 1.748 nan 8.150 nan 0.000 0.499 290 V N 4.998 124.731 119.914 -0.302 0.000 2.444 290 V HA 0.602 4.722 4.120 -0.000 0.000 0.294 290 V C 0.497 176.492 176.094 -0.166 0.000 1.022 290 V CA -0.251 61.827 62.300 -0.371 0.000 0.850 290 V CB 0.240 31.639 31.823 -0.707 0.000 0.992 290 V HN 1.149 nan 8.190 nan 0.000 0.426 291 H N 3.733 122.751 119.070 -0.087 0.000 1.452 291 H HA -0.200 4.356 4.556 -0.000 0.000 0.090 291 H C 0.038 175.342 175.328 -0.040 0.000 0.910 291 H CA 1.904 57.918 56.048 -0.057 0.000 1.901 291 H CB -0.929 28.798 29.762 -0.058 0.000 2.257 291 H HN 0.867 nan 8.280 nan 0.000 0.961 292 D N 1.806 122.279 120.400 0.121 0.000 2.587 292 D HA 0.251 4.891 4.640 -0.000 0.000 0.233 292 D C -0.022 176.304 176.300 0.044 0.000 1.213 292 D CA 0.383 54.415 54.000 0.052 0.000 0.827 292 D CB 0.337 41.155 40.800 0.029 0.000 1.006 292 D HN 0.141 nan 8.370 nan 0.000 0.490 293 T N 0.088 114.674 114.554 0.055 0.000 2.916 293 T HA 0.529 4.879 4.350 -0.000 0.000 0.292 293 T C -0.513 174.226 174.700 0.065 0.000 1.055 293 T CA -0.523 61.619 62.100 0.070 0.000 1.009 293 T CB 1.819 70.765 68.868 0.130 0.000 1.118 293 T HN -0.083 nan 8.240 nan 0.000 0.497 294 L N 3.024 124.289 121.223 0.070 0.000 2.298 294 L HA 0.529 4.869 4.340 -0.000 0.000 0.284 294 L C -1.017 175.900 176.870 0.078 0.000 1.013 294 L CA -0.745 54.122 54.840 0.044 0.000 0.824 294 L CB 0.789 42.875 42.059 0.044 0.000 1.221 294 L HN 0.513 nan 8.230 nan 0.000 0.418 295 F N 2.800 122.488 119.950 -0.436 0.000 2.385 295 F HA 0.302 4.829 4.527 -0.000 0.000 0.336 295 F C -0.128 175.499 175.800 -0.289 0.000 1.100 295 F CA -0.533 57.199 58.000 -0.447 0.000 1.116 295 F CB 0.924 39.361 39.000 -0.938 0.000 1.166 295 F HN 0.241 nan 8.300 nan 0.000 0.511 296 Y N 2.593 122.841 120.300 -0.086 0.000 2.338 296 Y HA 0.492 5.042 4.550 -0.000 0.000 0.333 296 Y C -1.001 174.905 175.900 0.009 0.000 0.968 296 Y CA -0.901 57.157 58.100 -0.069 0.000 1.123 296 Y CB 1.179 39.550 38.460 -0.148 0.000 1.165 296 Y HN 0.575 nan 8.280 nan 0.000 0.452 297 C N 7.141 126.384 119.300 -0.095 0.000 3.471 297 C HA 0.361 4.820 4.460 -0.000 0.000 0.191 297 C C -0.349 174.547 174.990 -0.158 0.000 1.480 297 C CA -1.071 57.947 59.018 -0.000 0.000 1.281 297 C CB -1.202 26.635 27.740 0.161 0.000 1.898 297 C HN 0.694 nan 8.230 nan 0.000 0.533 298 V N 0.734 120.484 119.914 -0.274 0.000 2.432 298 V HA 0.785 4.905 4.120 -0.000 0.000 0.275 298 V C 0.788 176.778 176.094 -0.174 0.000 1.043 298 V CA 0.491 62.595 62.300 -0.327 0.000 0.925 298 V CB 1.331 32.789 31.823 -0.609 0.000 0.985 298 V HN 0.614 nan 8.190 nan 0.000 0.466 299 A N 4.312 127.024 122.820 -0.181 0.000 2.169 299 A HA 0.190 4.510 4.320 -0.000 0.000 0.212 299 A C 1.291 178.801 177.584 -0.124 0.000 1.153 299 A CA 0.779 52.732 52.037 -0.140 0.000 0.756 299 A CB -0.445 18.470 19.000 -0.142 0.000 0.813 299 A HN 0.842 nan 8.150 nan 0.000 0.471 300 N N -0.332 118.304 118.700 -0.106 0.000 2.660 300 N HA 0.331 5.071 4.740 -0.000 0.000 0.316 300 N C 0.747 176.318 175.510 0.100 0.000 1.774 300 N CA -0.147 52.892 53.050 -0.019 0.000 0.946 300 N CB -0.108 38.390 38.487 0.018 0.000 1.322 300 N HN 0.360 nan 8.380 nan 0.000 0.492 301 M N 0.105 119.753 119.600 0.080 0.000 2.082 301 M HA -0.106 4.374 4.480 -0.000 0.000 0.258 301 M C -0.728 175.696 176.300 0.207 0.000 1.069 301 M CA 2.014 57.424 55.300 0.184 0.000 1.102 301 M CB -1.194 31.484 32.600 0.130 0.000 1.336 301 M HN 0.086 nan 8.290 nan 0.000 0.404 302 P HA -0.075 nan 4.420 nan 0.000 0.222 302 P C 0.903 178.290 177.300 0.144 0.000 1.147 302 P CA 1.535 64.708 63.100 0.121 0.000 0.790 302 P CB -0.247 31.504 31.700 0.085 0.000 0.780 303 A N 0.326 123.243 122.820 0.163 0.000 2.076 303 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 303 A C 2.273 179.955 177.584 0.164 0.000 1.160 303 A CA 2.046 54.174 52.037 0.152 0.000 0.653 303 A CB -1.487 17.577 19.000 0.108 0.000 0.801 303 A HN 0.366 nan 8.150 nan 0.000 0.455 304 S N -0.560 115.222 115.700 0.136 0.000 2.489 304 S HA 0.074 4.543 4.470 -0.000 0.000 0.228 304 S C 0.713 175.347 174.600 0.055 0.000 0.995 304 S CA 0.799 59.007 58.200 0.013 0.000 0.934 304 S CB -0.585 62.620 63.200 0.008 0.000 0.771 304 S HN 1.047 nan 8.310 nan 0.000 0.522 305 V N -1.679 118.290 119.914 0.093 0.000 2.454 305 V HA 0.498 4.618 4.120 -0.000 0.000 0.255 305 V C -1.990 174.163 176.094 0.099 0.000 1.009 305 V CA -1.727 60.615 62.300 0.070 0.000 1.149 305 V CB 0.643 32.501 31.823 0.057 0.000 1.418 305 V HN 0.045 nan 8.190 nan 0.000 0.567 306 P HA -0.157 nan 4.420 nan 0.000 0.218 306 P C 1.551 178.942 177.300 0.152 0.000 1.149 306 P CA 1.428 64.622 63.100 0.157 0.000 0.817 306 P CB 0.570 32.392 31.700 0.205 0.000 0.785 307 K N 0.317 120.786 120.400 0.114 0.000 2.032 307 K HA -0.108 4.212 4.320 -0.000 0.000 0.209 307 K C 2.030 178.737 176.600 0.178 0.000 1.048 307 K CA 2.278 58.648 56.287 0.138 0.000 0.927 307 K CB -1.300 31.223 32.500 0.039 0.000 0.712 307 K HN 0.002 nan 8.250 nan 0.000 0.441 308 T N -0.146 114.471 114.554 0.105 0.000 2.701 308 T HA -0.071 4.279 4.350 -0.000 0.000 0.263 308 T C 2.037 176.836 174.700 0.166 0.000 1.040 308 T CA 1.640 63.802 62.100 0.103 0.000 1.147 308 T CB -0.435 68.469 68.868 0.060 0.000 0.865 308 T HN 0.207 nan 8.240 nan 0.000 0.426 309 S N 0.964 116.753 115.700 0.149 0.000 2.368 309 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 309 S C 2.394 177.084 174.600 0.150 0.000 1.030 309 S CA 1.353 59.639 58.200 0.143 0.000 0.999 309 S CB -0.665 62.617 63.200 0.136 0.000 0.844 309 S HN 0.512 nan 8.310 nan 0.000 0.459 310 T N 0.873 115.525 114.554 0.163 0.000 2.720 310 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 310 T C 1.452 176.160 174.700 0.014 0.000 1.037 310 T CA 1.429 63.581 62.100 0.086 0.000 1.144 310 T CB -0.403 68.503 68.868 0.064 0.000 0.864 310 T HN 0.474 nan 8.240 nan 0.000 0.444 311 Y N 1.156 121.484 120.300 0.046 0.000 2.163 311 Y HA 0.044 4.594 4.550 -0.000 0.000 0.288 311 Y C 2.739 178.656 175.900 0.029 0.000 1.136 311 Y CA 0.715 58.835 58.100 0.034 0.000 1.147 311 Y CB -0.620 37.855 38.460 0.026 0.000 0.987 311 Y HN 0.173 nan 8.280 nan 0.000 0.509 312 A N -0.024 122.910 122.820 0.189 0.000 1.892 312 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 312 A C 2.156 179.778 177.584 0.064 0.000 1.188 312 A CA 1.972 54.078 52.037 0.116 0.000 0.631 312 A CB -1.088 17.977 19.000 0.109 0.000 0.822 312 A HN 0.434 nan 8.150 nan 0.000 0.447 313 L N 0.234 121.484 121.223 0.046 0.000 2.005 313 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 313 L C 2.797 179.593 176.870 -0.123 0.000 1.072 313 L CA 3.040 57.858 54.840 -0.035 0.000 0.744 313 L CB -1.026 41.029 42.059 -0.007 0.000 0.895 313 L HN 0.575 nan 8.230 nan 0.000 0.433 314 T N -3.572 110.926 114.554 -0.094 0.000 2.951 314 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 314 T C 1.773 176.438 174.700 -0.057 0.000 1.073 314 T CA 0.963 62.995 62.100 -0.114 0.000 1.134 314 T CB -0.626 68.170 68.868 -0.119 0.000 0.884 314 T HN 0.288 nan 8.240 nan 0.000 0.479 315 N N 2.520 121.215 118.700 -0.009 0.000 2.149 315 N HA 0.014 4.754 4.740 -0.000 0.000 0.188 315 N C 2.141 177.663 175.510 0.020 0.000 1.019 315 N CA 1.604 54.669 53.050 0.026 0.000 0.857 315 N CB -0.763 37.762 38.487 0.063 0.000 0.997 315 N HN 0.654 nan 8.380 nan 0.000 0.426 316 A N 0.274 123.095 122.820 0.001 0.000 1.898 316 A HA -0.080 4.240 4.320 -0.000 0.000 0.214 316 A C 2.340 179.956 177.584 0.053 0.000 1.183 316 A CA 1.964 54.014 52.037 0.022 0.000 0.622 316 A CB -0.973 18.023 19.000 -0.006 0.000 0.824 316 A HN 0.492 nan 8.150 nan 0.000 0.444 317 T N -3.043 111.461 114.554 -0.084 0.000 2.985 317 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 317 T C 1.885 176.677 174.700 0.153 0.000 1.076 317 T CA 1.293 63.355 62.100 -0.064 0.000 1.135 317 T CB -0.454 68.128 68.868 -0.476 0.000 0.890 317 T HN 0.313 nan 8.240 nan 0.000 0.480 318 M N 2.098 121.737 119.600 0.065 0.000 2.151 318 M HA -0.100 4.380 4.480 -0.000 0.000 0.256 318 M C -0.839 175.501 176.300 0.065 0.000 1.072 318 M CA 2.514 57.851 55.300 0.061 0.000 1.090 318 M CB -0.897 31.720 32.600 0.028 0.000 1.294 318 M HN 0.209 nan 8.290 nan 0.000 0.415 319 P HA -0.164 nan 4.420 nan 0.000 0.218 319 P C 0.846 178.070 177.300 -0.126 0.000 1.148 319 P CA 1.723 64.757 63.100 -0.111 0.000 0.822 319 P CB -0.439 31.109 31.700 -0.252 0.000 0.784 320 Y N -0.534 119.823 120.300 0.096 0.000 2.263 320 Y HA -0.100 4.449 4.550 -0.000 0.000 0.292 320 Y C 2.620 178.583 175.900 0.105 0.000 1.130 320 Y CA 0.575 58.746 58.100 0.119 0.000 1.179 320 Y CB -1.390 37.224 38.460 0.257 0.000 0.998 320 Y HN -0.279 nan 8.280 nan 0.000 0.532 321 V N 0.351 120.471 119.914 0.344 0.000 2.343 321 V HA -0.303 3.816 4.120 -0.000 0.000 0.247 321 V C 2.195 178.321 176.094 0.054 0.000 1.051 321 V CA 1.756 64.185 62.300 0.216 0.000 1.036 321 V CB -0.734 31.207 31.823 0.197 0.000 0.654 321 V HN 0.404 nan 8.190 nan 0.000 0.451 322 L N -0.596 120.651 121.223 0.040 0.000 2.093 322 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 322 L C 2.708 179.573 176.870 -0.009 0.000 1.085 322 L CA 1.194 56.033 54.840 -0.002 0.000 0.755 322 L CB -0.597 41.472 42.059 0.016 0.000 0.904 322 L HN 0.299 nan 8.230 nan 0.000 0.435 323 E N 0.309 120.527 120.200 0.030 0.000 2.072 323 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 323 E C 2.376 179.016 176.600 0.067 0.000 0.985 323 E CA 1.017 57.477 56.400 0.100 0.000 0.801 323 E CB -0.288 29.464 29.700 0.087 0.000 0.750 323 E HN 0.450 nan 8.360 nan 0.000 0.452 324 L N 0.617 121.842 121.223 0.003 0.000 2.012 324 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 324 L C 2.558 179.376 176.870 -0.086 0.000 1.073 324 L CA 1.411 56.228 54.840 -0.039 0.000 0.748 324 L CB -0.590 41.407 42.059 -0.104 0.000 0.891 324 L HN 0.069 nan 8.230 nan 0.000 0.431 325 A N -0.184 122.532 122.820 -0.173 0.000 1.877 325 A HA -0.241 4.079 4.320 -0.000 0.000 0.216 325 A C 1.956 179.361 177.584 -0.298 0.000 1.186 325 A CA 2.106 53.905 52.037 -0.396 0.000 0.620 325 A CB -0.600 17.948 19.000 -0.753 0.000 0.822 325 A HN 0.366 nan 8.150 nan 0.000 0.443 326 D N -1.379 118.899 120.400 -0.203 0.000 2.144 326 D HA -0.085 4.555 4.640 -0.000 0.000 0.200 326 D C 1.397 177.410 176.300 -0.478 0.000 0.978 326 D CA 1.284 55.113 54.000 -0.285 0.000 0.833 326 D CB -0.179 40.299 40.800 -0.536 0.000 0.961 326 D HN 0.651 nan 8.370 nan 0.000 0.470 327 H N -1.468 117.599 119.070 -0.004 0.000 3.255 327 H HA 0.397 4.953 4.556 -0.000 0.000 0.256 327 H C 1.183 176.468 175.328 -0.072 0.000 1.049 327 H CA 0.734 56.761 56.048 -0.036 0.000 1.202 327 H CB 1.193 30.927 29.762 -0.047 0.000 1.497 327 H HN 0.096 nan 8.280 nan 0.000 0.503 328 G N 1.389 110.198 108.800 0.015 0.000 2.730 328 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.686 328 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.686 328 G C 0.891 175.764 174.900 -0.044 0.000 1.343 328 G CA -0.130 44.953 45.100 -0.028 0.000 0.826 328 G HN 0.419 nan 8.290 nan 0.000 0.582 329 W N 1.591 122.840 121.300 -0.084 0.000 2.358 329 W HA -0.085 4.575 4.660 -0.000 0.000 0.303 329 W C 1.920 178.373 176.519 -0.110 0.000 1.208 329 W CA 1.474 58.747 57.345 -0.120 0.000 1.274 329 W CB -0.567 28.803 29.460 -0.151 0.000 1.138 329 W HN 0.786 nan 8.180 nan 0.000 0.515 330 R N 1.481 121.287 120.500 -1.157 0.000 2.062 330 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 330 R C 2.718 178.747 176.300 -0.451 0.000 1.136 330 R CA 2.249 57.673 56.100 -1.125 0.000 0.948 330 R CB -0.753 28.737 30.300 -1.349 0.000 0.845 330 R HN 0.156 nan 8.270 nan 0.000 0.430 331 A N 0.576 123.196 122.820 -0.334 0.000 1.933 331 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 331 A C 2.286 179.792 177.584 -0.129 0.000 1.175 331 A CA 1.700 53.622 52.037 -0.191 0.000 0.628 331 A CB -0.638 18.280 19.000 -0.137 0.000 0.814 331 A HN 0.552 nan 8.150 nan 0.000 0.444 332 A N -1.102 121.673 122.820 -0.075 0.000 1.897 332 A HA -0.116 4.204 4.320 -0.000 0.000 0.215 332 A C 2.288 179.869 177.584 -0.006 0.000 1.181 332 A CA 1.567 53.595 52.037 -0.017 0.000 0.620 332 A CB -1.164 17.855 19.000 0.033 0.000 0.821 332 A HN 0.587 nan 8.150 nan 0.000 0.443 333 C N -0.927 118.376 119.300 0.005 0.000 2.446 333 C HA -0.038 4.422 4.460 -0.000 0.000 0.277 333 C C 2.824 177.817 174.990 0.005 0.000 1.275 333 C CA 0.884 59.926 59.018 0.040 0.000 1.727 333 C CB -1.299 26.511 27.740 0.117 0.000 2.010 333 C HN 0.586 nan 8.230 nan 0.000 0.486 334 R N 0.765 121.237 120.500 -0.047 0.000 2.091 334 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 334 R C 2.246 178.519 176.300 -0.045 0.000 1.136 334 R CA 1.794 57.861 56.100 -0.055 0.000 0.959 334 R CB -0.460 29.783 30.300 -0.095 0.000 0.856 334 R HN 0.455 nan 8.270 nan 0.000 0.437 335 S N 0.099 115.764 115.700 -0.059 0.000 2.461 335 S HA -0.020 4.450 4.470 -0.000 0.000 0.228 335 S C 0.514 175.099 174.600 -0.025 0.000 1.005 335 S CA 0.333 58.497 58.200 -0.061 0.000 0.942 335 S CB 0.047 63.183 63.200 -0.107 0.000 0.776 335 S HN 0.204 nan 8.310 nan 0.000 0.514 336 N N 0.584 119.287 118.700 0.006 0.000 2.617 336 N HA 0.329 5.069 4.740 -0.000 0.000 0.263 336 N C -2.681 172.871 175.510 0.070 0.000 1.074 336 N CA -2.075 51.003 53.050 0.046 0.000 0.841 336 N CB 1.633 40.167 38.487 0.078 0.000 1.221 336 N HN -0.169 nan 8.380 nan 0.000 0.529 337 P HA -0.037 nan 4.420 nan 0.000 0.220 337 P C 0.919 178.266 177.300 0.078 0.000 1.148 337 P CA 0.859 63.994 63.100 0.059 0.000 0.803 337 P CB 0.372 32.099 31.700 0.045 0.000 0.782 338 A N -0.302 122.582 122.820 0.107 0.000 1.877 338 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 338 A C 2.118 179.766 177.584 0.106 0.000 1.186 338 A CA 1.533 53.645 52.037 0.125 0.000 0.620 338 A CB -1.649 17.471 19.000 0.200 0.000 0.822 338 A HN 0.166 nan 8.150 nan 0.000 0.443 339 L N -0.166 121.155 121.223 0.164 0.000 2.017 339 L HA -0.061 4.278 4.340 -0.000 0.000 0.208 339 L C 2.696 179.597 176.870 0.053 0.000 1.073 339 L CA 2.228 57.127 54.840 0.100 0.000 0.745 339 L CB -0.891 41.282 42.059 0.188 0.000 0.894 339 L HN 0.354 nan 8.230 nan 0.000 0.432 340 A N -0.760 122.102 122.820 0.070 0.000 1.940 340 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 340 A C 2.286 179.906 177.584 0.059 0.000 1.176 340 A CA 1.879 53.957 52.037 0.068 0.000 0.631 340 A CB -0.595 18.446 19.000 0.068 0.000 0.814 340 A HN 0.512 nan 8.150 nan 0.000 0.446 341 K N -0.878 119.555 120.400 0.055 0.000 2.281 341 K HA -0.125 4.194 4.320 -0.000 0.000 0.203 341 K C 1.807 178.432 176.600 0.041 0.000 1.046 341 K CA 0.936 57.253 56.287 0.050 0.000 0.938 341 K CB -0.329 32.199 32.500 0.047 0.000 0.737 341 K HN 0.516 nan 8.250 nan 0.000 0.458 342 G N 0.975 109.795 108.800 0.033 0.000 2.712 342 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.212 342 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.212 342 G C 0.554 175.464 174.900 0.017 0.000 1.142 342 G CA -0.276 44.844 45.100 0.033 0.000 0.789 342 G HN 0.099 nan 8.290 nan 0.000 0.535 343 L N 1.457 122.687 121.223 0.011 0.000 2.601 343 L HA 0.027 4.367 4.340 -0.000 0.000 0.277 343 L C 1.268 178.131 176.870 -0.011 0.000 1.219 343 L CA -0.147 54.680 54.840 -0.020 0.000 0.915 343 L CB 1.132 43.193 42.059 0.004 0.000 1.160 343 L HN 0.102 nan 8.230 nan 0.000 0.494 344 S N -0.278 115.394 115.700 -0.046 0.000 3.039 344 S HA 0.138 4.608 4.470 -0.000 0.000 0.251 344 S C 0.272 174.856 174.600 -0.027 0.000 1.064 344 S CA 0.386 58.573 58.200 -0.022 0.000 0.822 344 S CB 0.911 64.091 63.200 -0.032 0.000 0.802 344 S HN 0.826 nan 8.310 nan 0.000 0.519 345 T N -0.233 114.279 114.554 -0.070 0.000 2.903 345 T HA 0.711 5.061 4.350 -0.000 0.000 0.299 345 T C -1.501 173.147 174.700 -0.088 0.000 1.093 345 T CA -0.536 61.527 62.100 -0.062 0.000 1.002 345 T CB 2.246 71.078 68.868 -0.060 0.000 1.127 345 T HN 0.248 nan 8.240 nan 0.000 0.488 346 H N 0.145 119.100 119.070 -0.191 0.000 3.128 346 H HA 0.345 4.901 4.556 -0.000 0.000 0.336 346 H C -0.500 174.764 175.328 -0.107 0.000 1.026 346 H CA -0.299 55.603 56.048 -0.243 0.000 1.376 346 H CB 0.960 30.520 29.762 -0.337 0.000 1.882 346 H HN 0.980 nan 8.280 nan 0.000 0.479 347 E N 3.654 123.577 120.200 -0.461 0.000 2.360 347 E HA -0.262 4.088 4.350 -0.000 0.000 0.238 347 E C 0.844 177.368 176.600 -0.127 0.000 1.186 347 E CA 1.022 57.253 56.400 -0.282 0.000 0.719 347 E CB -1.367 28.096 29.700 -0.394 0.000 1.236 347 E HN 1.193 nan 8.360 nan 0.000 0.386 348 G N -1.599 107.147 108.800 -0.090 0.000 2.176 348 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.253 348 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.253 348 G C 0.242 175.115 174.900 -0.045 0.000 0.979 348 G CA 0.150 45.215 45.100 -0.058 0.000 0.641 348 G HN 0.976 nan 8.290 nan 0.000 0.530 349 A N -0.013 122.780 122.820 -0.044 0.000 2.292 349 A HA 0.798 5.118 4.320 -0.000 0.000 0.319 349 A C -0.164 177.415 177.584 -0.008 0.000 1.206 349 A CA -0.452 51.570 52.037 -0.024 0.000 0.835 349 A CB 1.305 20.295 19.000 -0.017 0.000 1.164 349 A HN 1.346 nan 8.150 nan 0.000 0.505 350 L N 3.299 124.531 121.223 0.014 0.000 2.265 350 L HA 0.447 4.787 4.340 -0.000 0.000 0.288 350 L C 0.072 177.013 176.870 0.119 0.000 1.058 350 L CA 0.127 55.002 54.840 0.057 0.000 0.809 350 L CB 0.528 42.633 42.059 0.077 0.000 1.179 350 L HN 0.698 nan 8.230 nan 0.000 0.429 351 L N 3.318 124.615 121.223 0.123 0.000 2.693 351 L HA 0.310 4.650 4.340 -0.000 0.000 0.235 351 L C 0.626 177.696 176.870 0.334 0.000 1.127 351 L CA 0.060 55.005 54.840 0.174 0.000 0.914 351 L CB 0.100 42.202 42.059 0.071 0.000 1.193 351 L HN 0.688 nan 8.230 nan 0.000 0.502 352 S N -0.056 115.802 115.700 0.263 0.000 2.456 352 S HA 0.165 4.635 4.470 -0.000 0.000 0.316 352 S C 0.865 175.433 174.600 -0.053 0.000 1.089 352 S CA -0.595 57.679 58.200 0.124 0.000 1.101 352 S CB 1.756 64.983 63.200 0.046 0.000 0.995 352 S HN 0.321 nan 8.310 nan 0.000 0.468 353 E N 4.047 123.957 120.200 -0.484 0.000 2.072 353 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 353 E C 2.074 178.444 176.600 -0.385 0.000 0.985 353 E CA 0.743 56.569 56.400 -0.955 0.000 0.801 353 E CB -0.029 28.939 29.700 -1.219 0.000 0.750 353 E HN 0.758 nan 8.360 nan 0.000 0.452 354 R N 0.162 120.529 120.500 -0.222 0.000 2.073 354 R HA -0.140 4.200 4.340 -0.000 0.000 0.234 354 R C 2.255 178.513 176.300 -0.069 0.000 1.134 354 R CA 1.581 57.612 56.100 -0.116 0.000 0.952 354 R CB -0.231 30.029 30.300 -0.067 0.000 0.850 354 R HN 0.124 nan 8.270 nan 0.000 0.433 355 V N 1.126 121.014 119.914 -0.045 0.000 2.295 355 V HA -0.252 3.867 4.120 -0.000 0.000 0.246 355 V C 2.543 178.632 176.094 -0.008 0.000 1.049 355 V CA 1.954 64.247 62.300 -0.011 0.000 1.024 355 V CB -0.847 30.982 31.823 0.010 0.000 0.648 355 V HN 0.539 nan 8.190 nan 0.000 0.447 356 A N 0.523 123.338 122.820 -0.009 0.000 1.883 356 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 356 A C 2.539 180.123 177.584 -0.001 0.000 1.186 356 A CA 2.871 54.922 52.037 0.024 0.000 0.624 356 A CB -1.042 18.013 19.000 0.092 0.000 0.822 356 A HN 0.631 nan 8.150 nan 0.000 0.444 357 T N -2.390 112.139 114.554 -0.043 0.000 2.896 357 T HA -0.106 4.244 4.350 -0.000 0.000 0.263 357 T C 1.362 176.050 174.700 -0.019 0.000 1.050 357 T CA 1.647 63.727 62.100 -0.032 0.000 1.140 357 T CB -0.471 68.364 68.868 -0.055 0.000 0.877 357 T HN 0.310 nan 8.240 nan 0.000 0.457 358 D N 1.092 121.480 120.400 -0.021 0.000 2.178 358 D HA 0.048 4.688 4.640 -0.000 0.000 0.201 358 D C 1.885 178.183 176.300 -0.003 0.000 0.980 358 D CA 0.873 54.867 54.000 -0.011 0.000 0.842 358 D CB -0.168 40.627 40.800 -0.008 0.000 0.948 358 D HN 0.425 nan 8.370 nan 0.000 0.472 359 L N -1.348 119.875 121.223 0.000 0.000 2.513 359 L HA 0.249 4.589 4.340 -0.000 0.000 0.222 359 L C 1.037 177.910 176.870 0.005 0.000 1.096 359 L CA 0.289 55.131 54.840 0.004 0.000 0.857 359 L CB 0.207 42.269 42.059 0.006 0.000 1.026 359 L HN 0.082 nan 8.230 nan 0.000 0.469 360 G N 1.414 110.218 108.800 0.008 0.000 2.291 360 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.271 360 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.271 360 G C -0.430 174.481 174.900 0.018 0.000 1.099 360 G CA -0.015 45.092 45.100 0.012 0.000 0.919 360 G HN 0.076 nan 8.290 nan 0.000 0.496 361 V N 0.300 120.231 119.914 0.028 0.000 2.735 361 V HA 0.611 4.731 4.120 -0.000 0.000 0.310 361 V C -1.887 174.245 176.094 0.064 0.000 1.061 361 V CA -1.840 60.481 62.300 0.035 0.000 0.913 361 V CB 2.318 34.158 31.823 0.029 0.000 1.005 361 V HN 0.201 nan 8.190 nan 0.000 0.428 362 P HA 0.109 nan 4.420 nan 0.000 0.265 362 P C -1.013 176.370 177.300 0.139 0.000 1.193 362 P CA 0.101 63.250 63.100 0.083 0.000 0.765 362 P CB 0.135 31.859 31.700 0.039 0.000 0.823 363 F N 3.194 123.145 119.950 0.003 0.000 2.408 363 F HA 0.467 4.994 4.527 -0.000 0.000 0.344 363 F C -0.395 175.410 175.800 0.010 0.000 1.112 363 F CA -0.218 57.785 58.000 0.005 0.000 1.096 363 F CB 0.941 39.945 39.000 0.007 0.000 1.129 363 F HN 0.108 nan 8.300 nan 0.000 0.486 364 T N 5.108 119.289 114.554 -0.621 0.000 2.792 364 T HA 0.207 4.557 4.350 -0.000 0.000 0.280 364 T C -0.820 173.310 174.700 -0.949 0.000 0.990 364 T CA -0.520 61.208 62.100 -0.620 0.000 0.960 364 T CB 1.150 69.880 68.868 -0.231 0.000 0.939 364 T HN 0.577 nan 8.240 nan 0.000 0.439 365 E N 4.111 123.827 120.200 -0.806 0.000 2.324 365 E HA 0.176 4.526 4.350 -0.000 0.000 0.271 365 E C -1.622 174.882 176.600 -0.160 0.000 1.028 365 E CA -1.932 54.172 56.400 -0.494 0.000 0.890 365 E CB 0.872 30.427 29.700 -0.240 0.000 1.004 365 E HN 0.200 nan 8.360 nan 0.000 0.431 366 P HA -0.258 nan 4.420 nan 0.000 0.217 366 P C 0.600 177.927 177.300 0.045 0.000 1.148 366 P CA 1.735 64.863 63.100 0.048 0.000 0.834 366 P CB 0.159 31.917 31.700 0.098 0.000 0.783 367 A N 0.082 122.920 122.820 0.030 0.000 1.972 367 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 367 A C 2.350 179.943 177.584 0.015 0.000 1.169 367 A CA 2.193 54.244 52.037 0.024 0.000 0.635 367 A CB -1.560 17.452 19.000 0.020 0.000 0.810 367 A HN 0.368 nan 8.150 nan 0.000 0.446 368 S N -0.065 115.634 115.700 -0.002 0.000 2.423 368 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 368 S C 1.576 176.201 174.600 0.042 0.000 1.014 368 S CA 1.376 59.578 58.200 0.002 0.000 0.965 368 S CB -0.890 62.292 63.200 -0.030 0.000 0.785 368 S HN 1.107 nan 8.310 nan 0.000 0.495 369 V N -1.697 118.264 119.914 0.077 0.000 3.590 369 V HA 0.469 4.589 4.120 -0.000 0.000 0.265 369 V C 0.741 176.911 176.094 0.127 0.000 1.239 369 V CA -0.249 62.145 62.300 0.157 0.000 1.117 369 V CB -0.738 31.226 31.823 0.235 0.000 0.818 369 V HN 0.394 nan 8.190 nan 0.000 0.451 370 L N 0.000 121.260 121.223 0.062 0.000 2.949 370 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 370 L CA 0.000 54.828 54.840 -0.020 0.000 0.813 370 L CB 0.000 42.065 42.059 0.011 0.000 0.961 370 L HN 0.000 nan 8.230 nan 0.000 0.502