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 1xa3_1_B DATA FIRST_RESID 4 DATA SEQUENCE LPXPKFGPLA GLRVVFSGIE IAGPFAGQXF AEWGAEVIWI ENVAWADTIR DATA SEQUENCE VQPNYPQLSR RNLHALSLNI FKDEGREAFL KLXETTDIFI EASKGPAFAR DATA SEQUENCE RGITDEVLWQ HNPKLVIAHL SGFGQYGTEE YTNLPAYNTI AQAFSGYLIQ DATA SEQUENCE NGDVDQPXPA FPYTADYFSG LTATTAALAA LHKVRETGKG ESIDIAXYEV DATA SEQUENCE XLRXGQYFXX DYFNGGEXCP RXSKGKDPYY AGCGLYKCAD GYIVXELVGI DATA SEQUENCE TQIEECFKDI GLAHLLGTPE IPEGTQLIHR IECPYGPLVE EKLDAWLATH DATA SEQUENCE TIAEVKERFA ELNIACAKVL TVPELESNPQ YVARESITQW QTXDGRTCKG DATA SEQUENCE PNIXPKFKNN PGQIWRGXPS HGXDTAAILK NIGYSENDIQ ELVSKGLAKV 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.855 176.870 -0.025 0.000 1.165 4 L CA 0.000 54.788 54.840 -0.087 0.000 0.813 4 L CB 0.000 41.905 42.059 -0.257 0.000 0.961 8 K N 2.063 122.483 120.400 0.032 0.000 2.285 8 K HA 0.556 4.875 4.320 -0.001 0.000 0.286 8 K C -0.940 175.747 176.600 0.146 0.000 1.072 8 K CA -0.247 56.048 56.287 0.013 0.000 0.913 8 K CB 0.062 32.553 32.500 -0.016 0.000 1.067 8 K HN 0.493 nan 8.250 nan 0.000 0.479 9 F N 0.637 120.545 119.950 -0.070 0.000 2.741 9 F HA 0.576 5.102 4.527 -0.001 0.000 0.311 9 F C -0.385 175.391 175.800 -0.041 0.000 1.149 9 F CA -0.154 57.820 58.000 -0.042 0.000 0.930 9 F CB 0.556 39.546 39.000 -0.017 0.000 1.312 9 F HN 0.729 nan 8.300 nan 0.000 0.450 10 G N 1.372 110.187 108.800 0.024 0.000 2.814 10 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.677 10 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.677 10 G C -2.366 172.367 174.900 -0.278 0.000 1.429 10 G CA -0.454 44.559 45.100 -0.145 0.000 0.868 10 G HN 0.769 nan 8.290 nan 0.000 0.553 11 P HA 0.022 nan 4.420 nan 0.000 0.226 11 P C 1.476 178.656 177.300 -0.200 0.000 1.153 11 P CA 1.060 63.947 63.100 -0.355 0.000 0.777 11 P CB 0.101 31.444 31.700 -0.596 0.000 0.794 12 L N -1.144 119.979 121.223 -0.168 0.000 2.818 12 L HA 0.342 4.681 4.340 -0.001 0.000 0.243 12 L C 0.932 177.729 176.870 -0.122 0.000 1.185 12 L CA -0.726 54.077 54.840 -0.061 0.000 0.988 12 L CB -0.348 41.759 42.059 0.081 0.000 1.292 12 L HN -0.177 nan 8.230 nan 0.000 0.519 13 A N 0.417 123.110 122.820 -0.212 0.000 2.584 13 A HA 0.327 4.646 4.320 -0.001 0.000 0.239 13 A C 1.500 179.013 177.584 -0.119 0.000 1.043 13 A CA 1.085 52.993 52.037 -0.216 0.000 0.756 13 A CB -0.218 18.660 19.000 -0.203 0.000 0.963 13 A HN 0.687 nan 8.150 nan 0.000 0.511 14 G N 0.736 109.473 108.800 -0.105 0.000 2.241 14 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.244 14 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.244 14 G C 0.175 175.048 174.900 -0.044 0.000 0.998 14 G CA 0.363 45.423 45.100 -0.067 0.000 0.621 14 G HN 1.435 nan 8.290 nan 0.000 0.519 15 L N 1.879 123.081 121.223 -0.034 0.000 2.380 15 L HA 0.638 4.977 4.340 -0.001 0.000 0.273 15 L C 0.610 177.467 176.870 -0.023 0.000 1.138 15 L CA -0.340 54.492 54.840 -0.013 0.000 0.832 15 L CB 0.545 42.620 42.059 0.026 0.000 1.124 15 L HN 0.204 nan 8.230 nan 0.000 0.454 16 R N 4.693 125.173 120.500 -0.034 0.000 2.288 16 R HA 0.531 4.871 4.340 -0.001 0.000 0.326 16 R C -1.432 174.831 176.300 -0.060 0.000 0.959 16 R CA -0.676 55.402 56.100 -0.036 0.000 0.834 16 R CB 1.443 31.721 30.300 -0.037 0.000 1.157 16 R HN 0.420 nan 8.270 nan 0.000 0.470 17 V N 3.700 123.576 119.914 -0.064 0.000 2.555 17 V HA 0.461 4.580 4.120 -0.001 0.000 0.302 17 V C -0.075 176.036 176.094 0.028 0.000 1.038 17 V CA -0.837 61.391 62.300 -0.120 0.000 0.887 17 V CB 2.312 33.925 31.823 -0.351 0.000 0.991 17 V HN 0.381 nan 8.190 nan 0.000 0.434 18 V N 5.209 125.186 119.914 0.104 0.000 2.604 18 V HA 0.651 4.771 4.120 -0.001 0.000 0.305 18 V C -0.726 175.563 176.094 0.325 0.000 1.043 18 V CA -0.616 61.815 62.300 0.218 0.000 0.888 18 V CB 1.688 33.665 31.823 0.257 0.000 0.995 18 V HN 0.814 nan 8.190 nan 0.000 0.429 19 F N 1.771 121.828 119.950 0.180 0.000 2.576 19 F HA 0.861 5.387 4.527 -0.001 0.000 0.313 19 F C -0.340 175.575 175.800 0.192 0.000 1.078 19 F CA -0.932 57.099 58.000 0.052 0.000 0.921 19 F CB 2.114 41.086 39.000 -0.046 0.000 1.232 19 F HN 0.361 nan 8.300 nan 0.000 0.459 20 S N 2.377 118.234 115.700 0.260 0.000 2.596 20 S HA 0.895 5.364 4.470 -0.001 0.000 0.318 20 S C -0.437 174.348 174.600 0.309 0.000 1.097 20 S CA 0.322 58.703 58.200 0.302 0.000 1.080 20 S CB 0.481 63.948 63.200 0.445 0.000 0.991 20 S HN 1.763 nan 8.310 nan 0.000 0.471 21 G N 3.186 112.207 108.800 0.368 0.000 2.321 21 G HA2 0.391 4.350 3.960 -0.001 0.000 0.298 21 G HA3 0.391 4.350 3.960 -0.001 0.000 0.298 21 G C -1.451 173.632 174.900 0.306 0.000 1.385 21 G CA -0.270 44.992 45.100 0.270 0.000 0.856 21 G HN 1.227 nan 8.290 nan 0.000 0.584 22 I N -3.758 116.917 120.570 0.176 0.000 3.145 22 I HA 0.907 5.076 4.170 -0.001 0.000 0.313 22 I C 0.387 176.541 176.117 0.060 0.000 1.122 22 I CA -0.861 60.540 61.300 0.168 0.000 0.987 22 I CB 2.121 40.195 38.000 0.123 0.000 1.236 22 I HN 0.753 nan 8.210 nan 0.000 0.453 23 E N 0.449 120.684 120.200 0.058 0.000 3.097 23 E HA -0.258 4.092 4.350 -0.001 0.000 0.310 23 E C 0.538 177.110 176.600 -0.047 0.000 1.426 23 E CA 1.886 58.281 56.400 -0.008 0.000 1.676 23 E CB -0.984 28.675 29.700 -0.068 0.000 1.891 23 E HN 0.809 nan 8.360 nan 0.000 0.527 24 I N 0.490 120.980 120.570 -0.133 0.000 2.962 24 I HA 0.026 4.196 4.170 -0.001 0.000 0.246 24 I C 2.473 178.457 176.117 -0.221 0.000 1.091 24 I CA 0.875 62.049 61.300 -0.210 0.000 1.469 24 I CB -0.420 37.323 38.000 -0.429 0.000 1.324 24 I HN 0.502 nan 8.210 nan 0.000 0.461 25 A N 1.373 124.054 122.820 -0.233 0.000 1.851 25 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 25 A C 2.344 179.860 177.584 -0.112 0.000 1.195 25 A CA 2.347 54.277 52.037 -0.178 0.000 0.622 25 A CB -1.618 17.288 19.000 -0.157 0.000 0.831 25 A HN 0.474 nan 8.150 nan 0.000 0.444 26 G N -0.351 108.373 108.800 -0.127 0.000 2.421 26 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.216 26 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.216 26 G C -0.292 174.390 174.900 -0.363 0.000 1.171 26 G CA 1.260 46.263 45.100 -0.161 0.000 0.775 26 G HN 0.506 nan 8.290 nan 0.000 0.543 27 P HA -0.073 nan 4.420 nan 0.000 0.218 27 P C 1.487 178.406 177.300 -0.634 0.000 1.149 27 P CA 0.456 63.021 63.100 -0.891 0.000 0.817 27 P CB -0.082 31.365 31.700 -0.422 0.000 0.785 28 F N 0.983 120.674 119.950 -0.432 0.000 2.102 28 F HA -0.173 4.353 4.527 -0.001 0.000 0.298 28 F C 2.186 177.808 175.800 -0.297 0.000 1.105 28 F CA 1.542 59.365 58.000 -0.296 0.000 1.239 28 F CB -0.938 37.949 39.000 -0.189 0.000 0.991 28 F HN -0.136 nan 8.300 nan 0.000 0.474 29 A N 0.187 122.862 122.820 -0.242 0.000 1.883 29 A HA -0.094 4.226 4.320 -0.001 0.000 0.217 29 A C 2.491 179.953 177.584 -0.203 0.000 1.186 29 A CA 1.875 53.768 52.037 -0.241 0.000 0.624 29 A CB -1.789 17.151 19.000 -0.100 0.000 0.822 29 A HN 0.511 nan 8.150 nan 0.000 0.444 30 G N -1.335 107.239 108.800 -0.377 0.000 2.394 30 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.215 30 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.215 30 G C 1.153 175.979 174.900 -0.125 0.000 1.165 30 G CA 0.705 45.663 45.100 -0.237 0.000 0.784 30 G HN 0.521 nan 8.290 nan 0.000 0.535 34 A N 0.444 123.309 122.820 0.076 0.000 1.968 34 A HA -0.066 4.254 4.320 -0.001 0.000 0.217 34 A C 1.889 179.580 177.584 0.178 0.000 1.169 34 A CA 1.588 53.717 52.037 0.152 0.000 0.638 34 A CB -0.393 18.695 19.000 0.147 0.000 0.812 34 A HN 0.312 nan 8.150 nan 0.000 0.446 35 E N -0.962 119.225 120.200 -0.022 0.000 2.209 35 E HA -0.195 4.155 4.350 -0.001 0.000 0.196 35 E C 0.653 177.528 176.600 0.459 0.000 0.993 35 E CA 0.941 57.391 56.400 0.082 0.000 0.819 35 E CB -0.152 29.426 29.700 -0.202 0.000 0.745 35 E HN 0.913 nan 8.360 nan 0.000 0.477 36 W N -0.346 121.023 121.300 0.115 0.000 2.966 36 W HA 0.393 5.052 4.660 -0.001 0.000 0.406 36 W C 1.127 177.488 176.519 -0.263 0.000 1.027 36 W CA 0.229 57.570 57.345 -0.007 0.000 1.930 36 W CB 0.401 29.797 29.460 -0.107 0.000 1.144 36 W HN 0.181 nan 8.180 nan 0.000 0.626 37 G N -0.282 108.371 108.800 -0.245 0.000 2.211 37 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.201 37 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.201 37 G C 0.533 175.158 174.900 -0.458 0.000 0.997 37 G CA -0.320 44.152 45.100 -1.047 0.000 0.652 37 G HN 0.365 nan 8.290 nan 0.000 0.500 38 A N 0.288 123.049 122.820 -0.099 0.000 2.366 38 A HA 0.579 4.899 4.320 -0.001 0.000 0.249 38 A C 0.515 178.151 177.584 0.086 0.000 1.084 38 A CA 0.619 52.664 52.037 0.012 0.000 0.794 38 A CB 0.358 19.433 19.000 0.126 0.000 1.034 38 A HN 0.568 nan 8.150 nan 0.000 0.491 39 E N 1.190 121.438 120.200 0.080 0.000 2.052 39 E HA 0.434 4.783 4.350 -0.001 0.000 0.283 39 E C -1.349 175.363 176.600 0.187 0.000 1.071 39 E CA -0.229 56.273 56.400 0.170 0.000 0.851 39 E CB 0.411 30.134 29.700 0.038 0.000 1.066 39 E HN 0.347 nan 8.360 nan 0.000 0.396 40 V N 6.681 126.795 119.914 0.334 0.000 2.495 40 V HA 0.399 4.518 4.120 -0.001 0.000 0.298 40 V C 0.023 176.324 176.094 0.346 0.000 1.031 40 V CA -0.720 61.750 62.300 0.285 0.000 0.871 40 V CB 1.626 33.623 31.823 0.289 0.000 0.988 40 V HN 0.636 nan 8.190 nan 0.000 0.432 41 I N 4.052 124.748 120.570 0.209 0.000 2.362 41 I HA 0.317 4.486 4.170 -0.001 0.000 0.289 41 I C -0.948 175.136 176.117 -0.056 0.000 0.994 41 I CA -0.334 61.053 61.300 0.144 0.000 1.158 41 I CB 1.444 39.489 38.000 0.075 0.000 1.315 41 I HN 0.706 nan 8.210 nan 0.000 0.451 42 W N 9.395 130.477 121.300 -0.364 0.000 2.342 42 W HA 0.493 5.152 4.660 -0.001 0.000 0.310 42 W C -0.865 175.411 176.519 -0.404 0.000 1.128 42 W CA -1.348 55.510 57.345 -0.811 0.000 1.322 42 W CB 0.352 29.590 29.460 -0.370 0.000 1.251 42 W HN 0.254 nan 8.180 nan 0.000 0.439 43 I N 6.695 127.150 120.570 -0.191 0.000 2.371 43 I HA 0.148 4.318 4.170 -0.001 0.000 0.290 43 I C 0.354 176.397 176.117 -0.125 0.000 1.028 43 I CA -0.133 61.099 61.300 -0.113 0.000 1.345 43 I CB 0.765 38.765 38.000 -0.001 0.000 1.407 43 I HN 0.314 nan 8.210 nan 0.000 0.501 44 E N 4.952 125.036 120.200 -0.193 0.000 2.256 44 E HA 0.254 4.604 4.350 -0.001 0.000 0.267 44 E C -0.602 176.005 176.600 0.012 0.000 0.892 44 E CA -0.957 55.366 56.400 -0.128 0.000 0.775 44 E CB 1.936 31.449 29.700 -0.311 0.000 1.207 44 E HN 0.498 nan 8.360 nan 0.000 0.420 45 N N 1.014 119.759 118.700 0.076 0.000 2.416 45 N HA -0.047 4.692 4.740 -0.001 0.000 0.246 45 N C 0.802 176.433 175.510 0.203 0.000 1.260 45 N CA 0.116 53.248 53.050 0.137 0.000 0.897 45 N CB 1.229 39.842 38.487 0.210 0.000 1.110 45 N HN 0.201 nan 8.380 nan 0.000 0.439 46 V N 2.851 122.841 119.914 0.127 0.000 2.323 46 V HA -0.137 3.983 4.120 -0.001 0.000 0.244 46 V C 2.119 178.260 176.094 0.078 0.000 1.041 46 V CA 2.165 64.500 62.300 0.058 0.000 1.025 46 V CB -0.864 30.951 31.823 -0.014 0.000 0.656 46 V HN 0.834 nan 8.190 nan 0.000 0.451 47 A N -1.817 121.042 122.820 0.064 0.000 2.072 47 A HA 0.015 4.335 4.320 -0.001 0.000 0.216 47 A C 0.528 177.951 177.584 -0.269 0.000 1.156 47 A CA 0.354 52.304 52.037 -0.143 0.000 0.701 47 A CB -0.213 18.640 19.000 -0.246 0.000 0.816 47 A HN 0.637 nan 8.150 nan 0.000 0.458 48 W N -0.518 120.818 121.300 0.060 0.000 2.631 48 W HA 0.654 5.314 4.660 -0.001 0.000 0.321 48 W C 0.141 176.595 176.519 -0.108 0.000 1.004 48 W CA -0.806 56.539 57.345 0.000 0.000 1.291 48 W CB 0.541 30.004 29.460 0.005 0.000 1.300 48 W HN 0.252 nan 8.180 nan 0.000 0.422 49 A N 2.078 124.828 122.820 -0.116 0.000 2.466 49 A HA 0.113 4.433 4.320 -0.001 0.000 0.238 49 A C 0.482 178.026 177.584 -0.066 0.000 1.074 49 A CA -0.020 51.755 52.037 -0.437 0.000 0.774 49 A CB 0.221 18.874 19.000 -0.578 0.000 1.015 49 A HN 0.574 nan 8.150 nan 0.000 0.498 50 D N 0.999 121.384 120.400 -0.025 0.000 2.586 50 D HA -0.025 4.614 4.640 -0.001 0.000 0.234 50 D C 1.717 178.109 176.300 0.153 0.000 1.132 50 D CA 1.112 55.216 54.000 0.173 0.000 0.860 50 D CB 0.641 41.714 40.800 0.455 0.000 1.159 50 D HN 0.605 nan 8.370 nan 0.000 0.490 51 T N 1.805 116.439 114.554 0.133 0.000 3.051 51 T HA -0.174 4.176 4.350 -0.001 0.000 0.269 51 T C 2.049 176.822 174.700 0.122 0.000 1.127 51 T CA 0.102 62.270 62.100 0.114 0.000 1.107 51 T CB -0.107 68.811 68.868 0.083 0.000 0.898 51 T HN 0.414 nan 8.240 nan 0.000 0.517 52 I N 1.698 122.358 120.570 0.150 0.000 2.423 52 I HA -0.084 4.086 4.170 -0.001 0.000 0.254 52 I C 2.429 178.644 176.117 0.163 0.000 1.151 52 I CA 0.989 62.383 61.300 0.155 0.000 1.421 52 I CB -0.285 37.805 38.000 0.149 0.000 1.079 52 I HN 0.151 nan 8.210 nan 0.000 0.431 53 R N -0.814 119.789 120.500 0.172 0.000 2.237 53 R HA -0.047 4.293 4.340 -0.001 0.000 0.219 53 R C 2.127 178.498 176.300 0.118 0.000 1.080 53 R CA 0.974 57.166 56.100 0.154 0.000 0.995 53 R CB -0.297 30.088 30.300 0.141 0.000 0.875 53 R HN 0.279 nan 8.270 nan 0.000 0.462 54 V N 1.019 121.000 119.914 0.110 0.000 2.490 54 V HA -0.185 3.935 4.120 -0.001 0.000 0.250 54 V C 1.078 177.232 176.094 0.099 0.000 1.061 54 V CA 1.403 63.761 62.300 0.096 0.000 1.064 54 V CB -0.344 31.534 31.823 0.091 0.000 0.670 54 V HN 0.290 nan 8.190 nan 0.000 0.461 55 Q N 0.780 120.652 119.800 0.119 0.000 2.313 55 Q HA 0.118 4.458 4.340 -0.001 0.000 0.266 55 Q C -1.295 174.779 176.000 0.123 0.000 0.989 55 Q CA -1.516 54.366 55.803 0.131 0.000 0.890 55 Q CB 0.577 29.423 28.738 0.180 0.000 1.200 55 Q HN 0.276 nan 8.270 nan 0.000 0.396 56 P HA -0.042 nan 4.420 nan 0.000 0.225 56 P C -0.159 177.193 177.300 0.087 0.000 1.156 56 P CA 1.120 64.270 63.100 0.085 0.000 0.787 56 P CB 0.733 32.473 31.700 0.067 0.000 0.802 57 N N -2.527 116.243 118.700 0.117 0.000 2.428 57 N HA -0.002 4.738 4.740 -0.001 0.000 0.249 57 N C 1.496 177.106 175.510 0.167 0.000 1.092 57 N CA -0.311 52.807 53.050 0.112 0.000 0.833 57 N CB -0.793 37.747 38.487 0.090 0.000 1.575 57 N HN -0.174 nan 8.380 nan 0.000 0.476 58 Y N 3.775 124.126 120.300 0.086 0.000 2.102 58 Y HA -0.121 4.429 4.550 -0.001 0.000 0.280 58 Y C -1.106 174.860 175.900 0.110 0.000 1.178 58 Y CA 1.805 59.965 58.100 0.101 0.000 1.146 58 Y CB -1.127 37.391 38.460 0.095 0.000 0.968 58 Y HN 0.091 nan 8.280 nan 0.000 0.504 59 P HA -0.164 nan 4.420 nan 0.000 0.222 59 P C 1.211 178.473 177.300 -0.064 0.000 1.147 59 P CA 1.516 64.538 63.100 -0.130 0.000 0.790 59 P CB -0.139 31.583 31.700 0.036 0.000 0.780 60 Q N -0.701 119.131 119.800 0.053 0.000 2.181 60 Q HA -0.141 4.198 4.340 -0.001 0.000 0.205 60 Q C 2.107 178.267 176.000 0.267 0.000 0.980 60 Q CA 1.043 56.955 55.803 0.181 0.000 0.862 60 Q CB -0.911 27.946 28.738 0.199 0.000 0.905 60 Q HN 0.305 nan 8.270 nan 0.000 0.429 61 L N 0.425 121.735 121.223 0.145 0.000 2.084 61 L HA -0.036 4.303 4.340 -0.001 0.000 0.202 61 L C 2.162 178.895 176.870 -0.228 0.000 1.074 61 L CA 2.073 56.925 54.840 0.019 0.000 0.757 61 L CB -0.692 41.413 42.059 0.077 0.000 0.918 61 L HN 0.147 nan 8.230 nan 0.000 0.444 62 S N -1.257 114.180 115.700 -0.437 0.000 2.561 62 S HA 0.050 4.519 4.470 -0.001 0.000 0.225 62 S C 1.479 175.862 174.600 -0.362 0.000 0.977 62 S CA 0.116 58.044 58.200 -0.454 0.000 0.926 62 S CB -0.276 62.459 63.200 -0.776 0.000 0.769 62 S HN 0.459 nan 8.310 nan 0.000 0.533 63 R N 1.473 121.780 120.500 -0.322 0.000 2.600 63 R HA 0.242 4.581 4.340 -0.001 0.000 0.392 63 R C 0.103 176.278 176.300 -0.208 0.000 1.032 63 R CA -0.186 55.707 56.100 -0.345 0.000 1.139 63 R CB 0.219 30.250 30.300 -0.450 0.000 1.400 63 R HN 0.672 nan 8.270 nan 0.000 0.566 64 R N 0.712 121.072 120.500 -0.232 0.000 2.679 64 R HA 0.122 4.461 4.340 -0.001 0.000 0.269 64 R C -0.295 175.811 176.300 -0.323 0.000 1.076 64 R CA -0.196 55.727 56.100 -0.296 0.000 1.160 64 R CB 0.269 30.294 30.300 -0.458 0.000 1.054 64 R HN -0.126 nan 8.270 nan 0.000 0.507 65 N N -0.843 117.556 118.700 -0.501 0.000 2.800 65 N HA -0.158 4.581 4.740 -0.001 0.000 0.250 65 N C -1.088 174.266 175.510 -0.260 0.000 1.078 65 N CA 1.236 53.926 53.050 -0.600 0.000 0.804 65 N CB -1.133 37.263 38.487 -0.151 0.000 1.135 65 N HN 0.547 nan 8.380 nan 0.000 0.565 66 L N 0.021 121.111 121.223 -0.223 0.000 2.344 66 L HA 0.430 4.769 4.340 -0.001 0.000 0.272 66 L C 0.389 177.206 176.870 -0.088 0.000 1.035 66 L CA -0.755 54.087 54.840 0.003 0.000 0.807 66 L CB 1.101 43.256 42.059 0.161 0.000 1.237 66 L HN 0.104 nan 8.230 nan 0.000 0.442 67 H N 0.406 119.617 119.070 0.235 0.000 2.463 67 H HA 0.598 5.154 4.556 -0.001 0.000 0.332 67 H C -0.336 175.096 175.328 0.173 0.000 1.127 67 H CA -0.464 55.699 56.048 0.192 0.000 1.238 67 H CB 1.646 31.515 29.762 0.178 0.000 1.478 67 H HN 0.649 nan 8.280 nan 0.000 0.499 68 A N 3.157 126.092 122.820 0.192 0.000 2.287 68 A HA 0.489 4.808 4.320 -0.001 0.000 0.317 68 A C -1.226 176.333 177.584 -0.041 0.000 1.220 68 A CA -0.562 51.480 52.037 0.008 0.000 0.835 68 A CB 0.283 19.209 19.000 -0.124 0.000 1.180 68 A HN 0.503 nan 8.150 nan 0.000 0.500 69 L N 2.684 123.854 121.223 -0.087 0.000 2.322 69 L HA 0.757 5.097 4.340 -0.001 0.000 0.281 69 L C -0.085 176.710 176.870 -0.125 0.000 1.014 69 L CA 0.061 54.850 54.840 -0.085 0.000 0.815 69 L CB 1.938 43.967 42.059 -0.050 0.000 1.247 69 L HN 0.517 nan 8.230 nan 0.000 0.421 70 S N 5.508 121.138 115.700 -0.116 0.000 2.596 70 S HA 0.834 5.303 4.470 -0.001 0.000 0.318 70 S C -1.426 173.111 174.600 -0.104 0.000 1.097 70 S CA -0.468 57.673 58.200 -0.099 0.000 1.080 70 S CB 0.521 63.641 63.200 -0.134 0.000 0.991 70 S HN 0.677 nan 8.310 nan 0.000 0.471 71 L N 4.953 126.124 121.223 -0.087 0.000 2.565 71 L HA 0.537 4.876 4.340 -0.001 0.000 0.261 71 L C -1.112 175.692 176.870 -0.110 0.000 0.932 71 L CA -0.358 54.419 54.840 -0.104 0.000 0.878 71 L CB 2.041 44.035 42.059 -0.110 0.000 1.333 71 L HN 0.661 nan 8.230 nan 0.000 0.409 72 N N 4.610 123.253 118.700 -0.095 0.000 2.402 72 N HA 0.163 4.902 4.740 -0.001 0.000 0.259 72 N C 0.993 176.379 175.510 -0.206 0.000 1.167 72 N CA -0.044 52.946 53.050 -0.100 0.000 0.949 72 N CB 0.389 38.862 38.487 -0.023 0.000 1.212 72 N HN 0.739 nan 8.380 nan 0.000 0.493 73 I N -0.445 119.845 120.570 -0.467 0.000 3.564 73 I HA 0.107 4.276 4.170 -0.001 0.000 0.294 73 I C 0.034 175.714 176.117 -0.729 0.000 1.289 73 I CA 0.471 61.355 61.300 -0.692 0.000 1.325 73 I CB -0.215 37.035 38.000 -1.250 0.000 1.039 73 I HN 0.094 nan 8.210 nan 0.000 0.474 74 F N 1.245 121.076 119.950 -0.200 0.000 2.731 74 F HA 0.373 4.899 4.527 -0.001 0.000 0.298 74 F C 0.899 176.647 175.800 -0.086 0.000 1.106 74 F CA -0.193 57.707 58.000 -0.166 0.000 1.329 74 F CB 0.106 38.985 39.000 -0.201 0.000 1.100 74 F HN -0.068 nan 8.300 nan 0.000 0.592 75 K N 1.088 121.527 120.400 0.065 0.000 2.358 75 K HA 0.332 4.652 4.320 -0.001 0.000 0.260 75 K C -0.050 176.565 176.600 0.026 0.000 0.956 75 K CA -0.429 55.887 56.287 0.048 0.000 0.834 75 K CB 0.350 32.875 32.500 0.042 0.000 1.102 75 K HN -0.060 nan 8.250 nan 0.000 0.431 76 D N 2.399 122.819 120.400 0.034 0.000 3.910 76 D HA -0.309 4.330 4.640 -0.001 0.000 0.153 76 D C 0.719 177.039 176.300 0.034 0.000 0.802 76 D CA 2.114 56.133 54.000 0.033 0.000 1.009 76 D CB -0.452 40.364 40.800 0.027 0.000 0.453 76 D HN 0.740 nan 8.370 nan 0.000 0.422 77 E N 0.390 120.609 120.200 0.032 0.000 2.150 77 E HA 0.086 4.436 4.350 -0.001 0.000 0.193 77 E C 2.095 178.705 176.600 0.018 0.000 0.985 77 E CA 1.249 57.677 56.400 0.048 0.000 0.814 77 E CB -0.510 29.221 29.700 0.052 0.000 0.752 77 E HN 0.493 nan 8.360 nan 0.000 0.466 78 G N 1.006 109.796 108.800 -0.016 0.000 2.446 78 G HA2 -0.357 3.603 3.960 -0.001 0.000 0.217 78 G HA3 -0.357 3.603 3.960 -0.001 0.000 0.217 78 G C 1.559 176.438 174.900 -0.036 0.000 1.168 78 G CA 0.911 45.979 45.100 -0.053 0.000 0.771 78 G HN 0.178 nan 8.290 nan 0.000 0.551 79 R N 0.512 121.001 120.500 -0.018 0.000 2.081 79 R HA -0.068 4.271 4.340 -0.001 0.000 0.235 79 R C 2.396 178.721 176.300 0.042 0.000 1.131 79 R CA 1.757 57.864 56.100 0.012 0.000 0.960 79 R CB -0.405 29.910 30.300 0.026 0.000 0.856 79 R HN 0.514 nan 8.270 nan 0.000 0.436 80 E N -0.221 120.005 120.200 0.042 0.000 2.085 80 E HA -0.223 4.126 4.350 -0.001 0.000 0.194 80 E C 1.753 178.393 176.600 0.066 0.000 0.994 80 E CA 1.393 57.827 56.400 0.056 0.000 0.801 80 E CB -0.106 29.654 29.700 0.101 0.000 0.743 80 E HN 0.509 nan 8.360 nan 0.000 0.453 81 A N 0.548 123.415 122.820 0.079 0.000 1.898 81 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 81 A C 1.970 179.539 177.584 -0.025 0.000 1.181 81 A CA 1.193 53.253 52.037 0.039 0.000 0.620 81 A CB -0.841 18.032 19.000 -0.212 0.000 0.819 81 A HN 0.486 nan 8.150 nan 0.000 0.442 82 F N 0.897 120.746 119.950 -0.169 0.000 2.095 82 F HA -0.169 4.358 4.527 -0.001 0.000 0.298 82 F C 1.846 177.495 175.800 -0.253 0.000 1.104 82 F CA 1.896 59.764 58.000 -0.221 0.000 1.232 82 F CB -0.367 38.470 39.000 -0.272 0.000 0.987 82 F HN 0.136 nan 8.300 nan 0.000 0.475 83 L N -0.062 120.901 121.223 -0.433 0.000 2.201 83 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 83 L C 2.402 178.929 176.870 -0.571 0.000 1.105 83 L CA 1.279 55.679 54.840 -0.734 0.000 0.775 83 L CB -0.756 40.731 42.059 -0.953 0.000 0.913 83 L HN 0.101 nan 8.230 nan 0.000 0.440 84 K N 0.877 121.112 120.400 -0.274 0.000 2.026 84 K HA -0.134 4.185 4.320 -0.001 0.000 0.208 84 K C 1.002 177.523 176.600 -0.131 0.000 1.048 84 K CA 0.899 57.133 56.287 -0.089 0.000 0.929 84 K CB -0.594 31.936 32.500 0.050 0.000 0.713 84 K HN -0.037 nan 8.250 nan 0.000 0.439 88 T N -0.911 113.613 114.554 -0.050 0.000 3.132 88 T HA 0.233 4.583 4.350 -0.001 0.000 0.274 88 T C 0.367 175.040 174.700 -0.046 0.000 1.011 88 T CA -0.191 61.885 62.100 -0.040 0.000 0.899 88 T CB 0.505 69.350 68.868 -0.039 0.000 1.089 88 T HN -0.181 nan 8.240 nan 0.000 0.543 89 T N 2.465 116.983 114.554 -0.059 0.000 2.799 89 T HA 0.285 4.635 4.350 -0.001 0.000 0.286 89 T C 0.363 175.051 174.700 -0.019 0.000 0.973 89 T CA -0.597 61.473 62.100 -0.050 0.000 1.035 89 T CB 1.555 70.373 68.868 -0.084 0.000 0.932 89 T HN 0.131 nan 8.240 nan 0.000 0.469 90 D N 1.892 122.282 120.400 -0.017 0.000 2.201 90 D HA 0.135 4.774 4.640 -0.001 0.000 0.209 90 D C 0.491 176.797 176.300 0.010 0.000 0.961 90 D CA 0.974 54.974 54.000 0.000 0.000 0.861 90 D CB 0.619 41.413 40.800 -0.010 0.000 0.997 90 D HN 0.426 nan 8.370 nan 0.000 0.486 91 I N 0.317 120.868 120.570 -0.032 0.000 2.533 91 I HA 0.230 4.399 4.170 -0.001 0.000 0.290 91 I C -1.331 174.800 176.117 0.022 0.000 1.056 91 I CA -0.950 60.324 61.300 -0.043 0.000 1.057 91 I CB 2.692 40.562 38.000 -0.215 0.000 1.240 91 I HN -0.250 nan 8.210 nan 0.000 0.423 92 F N 7.793 127.678 119.950 -0.108 0.000 2.449 92 F HA 0.666 5.192 4.527 -0.001 0.000 0.342 92 F C -0.980 174.744 175.800 -0.128 0.000 1.127 92 F CA -0.949 56.995 58.000 -0.094 0.000 0.975 92 F CB 1.033 39.981 39.000 -0.086 0.000 1.146 92 F HN 0.178 nan 8.300 nan 0.000 0.444 93 I N 5.456 125.642 120.570 -0.641 0.000 2.404 93 I HA 0.399 4.568 4.170 -0.001 0.000 0.293 93 I C -1.221 174.337 176.117 -0.931 0.000 0.992 93 I CA -0.566 60.365 61.300 -0.615 0.000 1.149 93 I CB 1.816 39.668 38.000 -0.247 0.000 1.315 93 I HN 0.619 nan 8.210 nan 0.000 0.446 94 E N 5.732 125.424 120.200 -0.845 0.000 2.314 94 E HA 0.822 5.171 4.350 -0.001 0.000 0.272 94 E C -1.539 174.893 176.600 -0.281 0.000 0.884 94 E CA -0.951 55.076 56.400 -0.621 0.000 0.753 94 E CB 1.967 31.062 29.700 -1.008 0.000 1.213 94 E HN 0.559 nan 8.360 nan 0.000 0.432 95 A N 2.152 124.922 122.820 -0.084 0.000 2.304 95 A HA 0.814 5.134 4.320 -0.001 0.000 0.314 95 A C -0.423 177.207 177.584 0.077 0.000 1.187 95 A CA -0.002 52.026 52.037 -0.016 0.000 0.810 95 A CB 0.633 19.615 19.000 -0.029 0.000 1.183 95 A HN 1.144 nan 8.150 nan 0.000 0.487 96 S N 1.667 117.424 115.700 0.094 0.000 2.703 96 S HA 0.510 4.979 4.470 -0.001 0.000 0.273 96 S C -1.157 173.498 174.600 0.092 0.000 1.178 96 S CA -1.007 57.272 58.200 0.131 0.000 0.838 96 S CB 0.755 64.127 63.200 0.286 0.000 1.178 96 S HN 0.513 nan 8.310 nan 0.000 0.494 97 K N 1.887 122.333 120.400 0.078 0.000 2.171 97 K HA 0.485 4.804 4.320 -0.001 0.000 0.274 97 K C 0.993 177.644 176.600 0.086 0.000 1.110 97 K CA 0.525 56.853 56.287 0.068 0.000 0.952 97 K CB -0.006 32.515 32.500 0.035 0.000 1.309 97 K HN 1.106 nan 8.250 nan 0.000 0.414 98 G N 4.716 113.578 108.800 0.104 0.000 2.564 98 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.273 98 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.273 98 G C -2.168 172.789 174.900 0.095 0.000 1.242 98 G CA -0.663 44.495 45.100 0.097 0.000 0.951 98 G HN 0.496 nan 8.290 nan 0.000 0.564 99 P HA 0.398 nan 4.420 nan 0.000 0.226 99 P C 0.893 178.260 177.300 0.111 0.000 1.758 99 P CA 0.952 64.094 63.100 0.070 0.000 0.896 99 P CB 0.150 31.875 31.700 0.042 0.000 1.784 100 A N -0.226 122.685 122.820 0.152 0.000 1.969 100 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 100 A C 1.699 179.341 177.584 0.097 0.000 1.169 100 A CA 1.081 53.174 52.037 0.094 0.000 0.635 100 A CB -1.312 17.740 19.000 0.087 0.000 0.810 100 A HN 0.138 nan 8.150 nan 0.000 0.445 101 F N 0.216 120.218 119.950 0.087 0.000 2.113 101 F HA -0.078 4.448 4.527 -0.001 0.000 0.297 101 F C 2.791 178.658 175.800 0.112 0.000 1.103 101 F CA 0.951 59.055 58.000 0.173 0.000 1.248 101 F CB -0.658 38.535 39.000 0.323 0.000 0.999 101 F HN 0.257 nan 8.300 nan 0.000 0.475 102 A N -0.001 122.974 122.820 0.258 0.000 1.902 102 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 102 A C 2.319 179.942 177.584 0.065 0.000 1.181 102 A CA 1.561 53.682 52.037 0.140 0.000 0.623 102 A CB -0.672 18.384 19.000 0.093 0.000 0.818 102 A HN 0.309 nan 8.150 nan 0.000 0.443 103 R N -0.870 119.646 120.500 0.026 0.000 2.152 103 R HA -0.061 4.279 4.340 -0.001 0.000 0.232 103 R C 1.842 178.094 176.300 -0.080 0.000 1.117 103 R CA 1.379 57.462 56.100 -0.028 0.000 0.981 103 R CB -0.195 30.075 30.300 -0.049 0.000 0.870 103 R HN 0.441 nan 8.270 nan 0.000 0.451 104 R N -0.715 119.699 120.500 -0.144 0.000 2.310 104 R HA 0.065 4.405 4.340 -0.001 0.000 0.202 104 R C 0.893 177.166 176.300 -0.045 0.000 0.933 104 R CA 0.516 56.477 56.100 -0.232 0.000 1.054 104 R CB 0.672 30.552 30.300 -0.700 0.000 0.985 104 R HN 0.408 nan 8.270 nan 0.000 0.489 105 G N 0.938 109.755 108.800 0.029 0.000 2.175 105 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.244 105 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.244 105 G C 0.233 175.217 174.900 0.139 0.000 0.982 105 G CA -0.348 44.800 45.100 0.079 0.000 0.641 105 G HN 0.267 nan 8.290 nan 0.000 0.527 106 I N 3.467 124.157 120.570 0.200 0.000 2.317 106 I HA 0.261 4.430 4.170 -0.001 0.000 0.286 106 I C 1.206 177.495 176.117 0.288 0.000 1.119 106 I CA 0.063 61.529 61.300 0.278 0.000 1.228 106 I CB 0.169 38.413 38.000 0.406 0.000 1.476 106 I HN 0.273 nan 8.210 nan 0.000 0.514 107 T N -1.110 113.552 114.554 0.179 0.000 2.849 107 T HA 0.152 4.502 4.350 -0.001 0.000 0.284 107 T C 0.944 175.673 174.700 0.048 0.000 1.004 107 T CA -0.689 61.485 62.100 0.122 0.000 1.021 107 T CB 1.555 70.477 68.868 0.090 0.000 1.013 107 T HN 0.298 nan 8.240 nan 0.000 0.527 108 D N 0.619 120.979 120.400 -0.066 0.000 2.149 108 D HA -0.086 4.554 4.640 -0.001 0.000 0.198 108 D C 1.916 177.993 176.300 -0.372 0.000 0.990 108 D CA 1.256 55.001 54.000 -0.424 0.000 0.839 108 D CB -0.158 40.242 40.800 -0.667 0.000 0.948 108 D HN 0.682 nan 8.370 nan 0.000 0.460 109 E N 0.132 120.330 120.200 -0.004 0.000 2.051 109 E HA -0.094 4.256 4.350 -0.001 0.000 0.192 109 E C 2.339 179.045 176.600 0.176 0.000 0.991 109 E CA 0.300 56.825 56.400 0.209 0.000 0.799 109 E CB -0.361 29.451 29.700 0.188 0.000 0.748 109 E HN 0.087 nan 8.360 nan 0.000 0.449 110 V N 0.812 120.801 119.914 0.125 0.000 2.343 110 V HA -0.250 3.870 4.120 -0.001 0.000 0.247 110 V C 2.243 178.442 176.094 0.175 0.000 1.051 110 V CA 1.497 63.893 62.300 0.161 0.000 1.036 110 V CB -0.487 31.429 31.823 0.156 0.000 0.654 110 V HN 0.242 nan 8.190 nan 0.000 0.451 111 L N -1.557 119.696 121.223 0.051 0.000 2.042 111 L HA -0.202 4.138 4.340 -0.001 0.000 0.210 111 L C 2.482 179.413 176.870 0.101 0.000 1.076 111 L CA 1.708 56.536 54.840 -0.019 0.000 0.749 111 L CB -0.521 41.419 42.059 -0.197 0.000 0.893 111 L HN 0.425 nan 8.230 nan 0.000 0.432 112 W N 0.293 121.653 121.300 0.099 0.000 2.584 112 W HA -0.057 4.603 4.660 -0.001 0.000 0.264 112 W C 2.517 179.062 176.519 0.042 0.000 1.264 112 W CA 0.417 57.801 57.345 0.065 0.000 1.306 112 W CB -0.630 28.866 29.460 0.061 0.000 1.110 112 W HN 0.334 nan 8.180 nan 0.000 0.606 113 Q N -1.097 118.849 119.800 0.243 0.000 2.124 113 Q HA -0.180 4.160 4.340 -0.001 0.000 0.202 113 Q C 1.929 177.905 176.000 -0.040 0.000 0.977 113 Q CA 1.327 57.175 55.803 0.075 0.000 0.850 113 Q CB -0.298 28.458 28.738 0.029 0.000 0.901 113 Q HN 0.383 nan 8.270 nan 0.000 0.429 114 H N -1.097 118.006 119.070 0.056 0.000 2.448 114 H HA 0.101 4.656 4.556 -0.001 0.000 0.292 114 H C 0.382 175.719 175.328 0.015 0.000 1.035 114 H CA 0.688 56.741 56.048 0.007 0.000 1.349 114 H CB 0.573 30.305 29.762 -0.049 0.000 1.425 114 H HN 0.077 nan 8.280 nan 0.000 0.539 115 N N 0.034 118.836 118.700 0.170 0.000 2.664 115 N HA 0.065 4.805 4.740 -0.001 0.000 0.268 115 N C -2.364 173.282 175.510 0.227 0.000 1.222 115 N CA -1.606 51.528 53.050 0.139 0.000 0.805 115 N CB 1.385 39.928 38.487 0.092 0.000 1.399 115 N HN -0.133 nan 8.380 nan 0.000 0.547 116 P HA -0.053 nan 4.420 nan 0.000 0.225 116 P C 0.302 177.595 177.300 -0.012 0.000 1.148 116 P CA 1.031 64.167 63.100 0.060 0.000 0.779 116 P CB 0.445 32.130 31.700 -0.024 0.000 0.780 117 K N -1.028 119.407 120.400 0.059 0.000 2.426 117 K HA 0.077 4.396 4.320 -0.001 0.000 0.193 117 K C 0.725 177.410 176.600 0.143 0.000 1.028 117 K CA -0.376 55.940 56.287 0.048 0.000 1.047 117 K CB -0.291 32.227 32.500 0.029 0.000 0.821 117 K HN 0.052 nan 8.250 nan 0.000 0.513 118 L N 1.813 123.200 121.223 0.272 0.000 2.540 118 L HA -0.018 4.322 4.340 -0.001 0.000 0.276 118 L C -0.475 176.605 176.870 0.349 0.000 1.212 118 L CA 0.425 55.431 54.840 0.278 0.000 0.893 118 L CB 0.622 42.833 42.059 0.254 0.000 1.138 118 L HN -0.189 nan 8.230 nan 0.000 0.491 119 V N 7.550 127.589 119.914 0.210 0.000 2.364 119 V HA 0.348 4.468 4.120 -0.001 0.000 0.272 119 V C 0.262 176.436 176.094 0.133 0.000 1.036 119 V CA -0.272 62.143 62.300 0.191 0.000 0.880 119 V CB 0.983 32.883 31.823 0.130 0.000 0.991 119 V HN 0.561 nan 8.190 nan 0.000 0.460 120 I N 4.595 125.238 120.570 0.121 0.000 2.389 120 I HA 0.687 4.857 4.170 -0.001 0.000 0.288 120 I C 0.240 176.302 176.117 -0.092 0.000 0.999 120 I CA -0.413 60.871 61.300 -0.027 0.000 1.129 120 I CB 1.769 39.711 38.000 -0.098 0.000 1.288 120 I HN 0.623 nan 8.210 nan 0.000 0.444 121 A N 6.202 128.882 122.820 -0.234 0.000 2.287 121 A HA 0.577 4.896 4.320 -0.001 0.000 0.317 121 A C -0.814 176.576 177.584 -0.323 0.000 1.220 121 A CA -0.494 51.444 52.037 -0.165 0.000 0.835 121 A CB 0.326 19.268 19.000 -0.096 0.000 1.180 121 A HN 0.699 nan 8.150 nan 0.000 0.500 122 H N 2.895 121.907 119.070 -0.098 0.000 2.581 122 H HA 0.329 4.884 4.556 -0.001 0.000 0.308 122 H C -1.164 174.120 175.328 -0.073 0.000 1.040 122 H CA -0.182 55.796 56.048 -0.116 0.000 1.231 122 H CB 1.661 31.386 29.762 -0.061 0.000 1.396 122 H HN 0.578 nan 8.280 nan 0.000 0.467 123 L N 3.756 124.982 121.223 0.005 0.000 2.280 123 L HA 0.292 4.632 4.340 -0.001 0.000 0.287 123 L C -0.141 176.731 176.870 0.004 0.000 1.023 123 L CA -0.271 54.563 54.840 -0.009 0.000 0.819 123 L CB 0.651 42.679 42.059 -0.051 0.000 1.212 123 L HN 0.624 nan 8.230 nan 0.000 0.420 124 S N 1.778 117.482 115.700 0.007 0.000 2.697 124 S HA 0.541 5.010 4.470 -0.001 0.000 0.289 124 S C 0.639 175.220 174.600 -0.032 0.000 1.149 124 S CA -0.176 58.032 58.200 0.014 0.000 0.850 124 S CB 1.413 64.653 63.200 0.068 0.000 1.151 124 S HN 0.601 nan 8.310 nan 0.000 0.491 125 G N -0.193 108.582 108.800 -0.041 0.000 2.394 125 G HA2 0.090 4.050 3.960 -0.001 0.000 0.215 125 G HA3 0.090 4.050 3.960 -0.001 0.000 0.215 125 G C 0.410 175.051 174.900 -0.433 0.000 1.165 125 G CA 0.504 45.448 45.100 -0.260 0.000 0.784 125 G HN 0.607 nan 8.290 nan 0.000 0.535 126 F N 0.146 120.151 119.950 0.092 0.000 2.746 126 F HA 0.470 4.997 4.527 -0.001 0.000 0.320 126 F C 1.167 177.058 175.800 0.151 0.000 1.097 126 F CA 0.157 58.262 58.000 0.175 0.000 1.195 126 F CB 1.161 40.161 39.000 -0.001 0.000 1.056 126 F HN 0.416 nan 8.300 nan 0.000 0.562 127 G N 0.460 109.362 108.800 0.171 0.000 2.541 127 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 127 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 127 G C -0.060 174.879 174.900 0.065 0.000 1.286 127 G CA -0.701 44.435 45.100 0.061 0.000 0.894 127 G HN -0.106 nan 8.290 nan 0.000 0.575 128 Q N -1.027 118.805 119.800 0.055 0.000 2.389 128 Q HA 0.172 4.512 4.340 -0.001 0.000 0.204 128 Q C 0.744 176.851 176.000 0.178 0.000 0.944 128 Q CA 1.881 57.734 55.803 0.083 0.000 0.908 128 Q CB 0.175 28.937 28.738 0.040 0.000 1.002 128 Q HN 0.882 nan 8.270 nan 0.000 0.493 129 Y N -3.649 116.690 120.300 0.065 0.000 2.655 129 Y HA 0.691 5.241 4.550 -0.001 0.000 0.336 129 Y C 0.148 176.113 175.900 0.108 0.000 1.154 129 Y CA -0.541 57.601 58.100 0.071 0.000 1.055 129 Y CB 0.837 39.329 38.460 0.054 0.000 1.295 129 Y HN -0.029 nan 8.280 nan 0.000 0.465 130 G N 0.501 109.382 108.800 0.135 0.000 2.480 130 G HA2 0.353 4.313 3.960 -0.001 0.000 0.109 130 G HA3 0.353 4.313 3.960 -0.001 0.000 0.109 130 G C -0.788 174.194 174.900 0.138 0.000 1.172 130 G CA -0.186 44.948 45.100 0.057 0.000 1.091 130 G HN 1.295 nan 8.290 nan 0.000 0.464 131 T N -1.055 113.574 114.554 0.125 0.000 2.927 131 T HA 0.609 4.958 4.350 -0.001 0.000 0.281 131 T C 0.810 175.549 174.700 0.066 0.000 0.998 131 T CA 0.328 62.496 62.100 0.113 0.000 1.019 131 T CB 2.032 70.991 68.868 0.153 0.000 1.061 131 T HN 0.338 nan 8.240 nan 0.000 0.518 132 E N 0.328 120.545 120.200 0.028 0.000 2.204 132 E HA -0.133 4.217 4.350 -0.001 0.000 0.194 132 E C 1.799 178.343 176.600 -0.092 0.000 0.989 132 E CA 1.020 57.409 56.400 -0.019 0.000 0.824 132 E CB -0.134 29.554 29.700 -0.021 0.000 0.756 132 E HN 0.938 nan 8.360 nan 0.000 0.477 133 E N -0.502 119.615 120.200 -0.138 0.000 2.106 133 E HA -0.167 4.183 4.350 -0.001 0.000 0.192 133 E C 1.088 177.353 176.600 -0.558 0.000 0.984 133 E CA 0.957 57.143 56.400 -0.357 0.000 0.806 133 E CB 0.091 29.505 29.700 -0.477 0.000 0.750 133 E HN 0.273 nan 8.360 nan 0.000 0.458 134 Y N -1.037 119.097 120.300 -0.277 0.000 2.535 134 Y HA 0.154 4.704 4.550 -0.001 0.000 0.264 134 Y C 2.348 177.954 175.900 -0.490 0.000 1.087 134 Y CA 0.676 58.430 58.100 -0.578 0.000 1.285 134 Y CB 0.219 38.312 38.460 -0.610 0.000 1.200 134 Y HN -0.019 nan 8.280 nan 0.000 0.514 135 T N 0.401 114.925 114.554 -0.050 0.000 2.788 135 T HA -0.128 4.222 4.350 -0.001 0.000 0.268 135 T C 1.227 175.950 174.700 0.038 0.000 1.044 135 T CA 1.487 63.613 62.100 0.043 0.000 1.139 135 T CB -0.228 68.679 68.868 0.065 0.000 0.867 135 T HN 0.275 nan 8.240 nan 0.000 0.454 136 N N 0.998 119.679 118.700 -0.031 0.000 2.276 136 N HA 0.239 4.979 4.740 -0.001 0.000 0.212 136 N C -0.091 175.404 175.510 -0.026 0.000 1.127 136 N CA -0.001 53.042 53.050 -0.011 0.000 0.834 136 N CB 0.165 38.637 38.487 -0.025 0.000 1.014 136 N HN 0.403 nan 8.380 nan 0.000 0.491 137 L N 1.972 123.155 121.223 -0.068 0.000 2.436 137 L HA 0.276 4.615 4.340 -0.001 0.000 0.265 137 L C -1.753 175.199 176.870 0.136 0.000 1.168 137 L CA -1.509 53.299 54.840 -0.053 0.000 0.815 137 L CB 0.187 42.058 42.059 -0.312 0.000 1.109 137 L HN -0.127 nan 8.230 nan 0.000 0.462 138 P HA 0.086 nan 4.420 nan 0.000 0.271 138 P C -1.061 176.341 177.300 0.170 0.000 1.218 138 P CA -0.402 62.775 63.100 0.129 0.000 0.780 138 P CB 0.816 32.631 31.700 0.191 0.000 0.901 139 A N 3.491 126.286 122.820 -0.042 0.000 2.309 139 A HA 0.515 4.834 4.320 -0.001 0.000 0.290 139 A C -1.010 176.369 177.584 -0.341 0.000 1.206 139 A CA -0.022 51.944 52.037 -0.118 0.000 0.850 139 A CB -0.419 18.497 19.000 -0.141 0.000 1.118 139 A HN 0.494 nan 8.150 nan 0.000 0.523 140 Y N 0.791 121.076 120.300 -0.024 0.000 2.534 140 Y HA 0.236 4.785 4.550 -0.001 0.000 0.345 140 Y C 1.105 176.990 175.900 -0.026 0.000 1.031 140 Y CA -0.586 57.497 58.100 -0.029 0.000 1.022 140 Y CB 1.982 40.442 38.460 0.001 0.000 1.292 140 Y HN 0.841 nan 8.280 nan 0.000 0.459 141 N N 0.115 118.903 118.700 0.146 0.000 2.061 141 N HA -0.247 4.493 4.740 -0.001 0.000 0.193 141 N C 1.588 177.194 175.510 0.161 0.000 1.030 141 N CA 2.828 55.950 53.050 0.119 0.000 0.856 141 N CB -0.067 38.506 38.487 0.144 0.000 1.023 141 N HN 0.814 nan 8.380 nan 0.000 0.424 142 T N -1.278 113.391 114.554 0.193 0.000 2.746 142 T HA -0.098 4.251 4.350 -0.001 0.000 0.267 142 T C 2.083 176.876 174.700 0.156 0.000 1.039 142 T CA 1.469 63.670 62.100 0.168 0.000 1.142 142 T CB -0.741 68.205 68.868 0.130 0.000 0.866 142 T HN 0.282 nan 8.240 nan 0.000 0.444 143 I N 1.971 122.639 120.570 0.163 0.000 2.226 143 I HA -0.113 4.057 4.170 -0.001 0.000 0.245 143 I C 3.235 179.437 176.117 0.142 0.000 1.100 143 I CA 1.195 62.597 61.300 0.170 0.000 1.374 143 I CB -0.648 37.478 38.000 0.210 0.000 1.057 143 I HN 0.342 nan 8.210 nan 0.000 0.413 144 A N 0.205 123.066 122.820 0.070 0.000 1.908 144 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 144 A C 2.260 179.928 177.584 0.139 0.000 1.181 144 A CA 1.602 53.669 52.037 0.050 0.000 0.627 144 A CB -0.605 18.386 19.000 -0.014 0.000 0.818 144 A HN 0.487 nan 8.150 nan 0.000 0.445 145 Q N -0.788 119.101 119.800 0.148 0.000 2.119 145 Q HA -0.091 4.248 4.340 -0.001 0.000 0.201 145 Q C 2.459 178.586 176.000 0.211 0.000 0.972 145 Q CA 1.242 57.164 55.803 0.200 0.000 0.847 145 Q CB -0.374 28.500 28.738 0.228 0.000 0.903 145 Q HN 0.690 nan 8.270 nan 0.000 0.433 146 A N 0.498 123.437 122.820 0.197 0.000 1.902 146 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 146 A C 1.765 179.476 177.584 0.211 0.000 1.181 146 A CA 1.146 53.294 52.037 0.186 0.000 0.623 146 A CB -0.633 18.481 19.000 0.190 0.000 0.818 146 A HN 0.405 nan 8.150 nan 0.000 0.443 147 F N 1.085 121.082 119.950 0.079 0.000 2.615 147 F HA 0.005 4.531 4.527 -0.001 0.000 0.297 147 F C 2.290 178.122 175.800 0.053 0.000 1.124 147 F CA 1.360 59.386 58.000 0.043 0.000 1.451 147 F CB 0.159 39.172 39.000 0.021 0.000 1.103 147 F HN 0.277 nan 8.300 nan 0.000 0.569 148 S N -1.324 114.481 115.700 0.176 0.000 2.556 148 S HA 0.342 4.812 4.470 -0.001 0.000 0.216 148 S C 1.693 176.367 174.600 0.124 0.000 0.970 148 S CA 0.297 58.597 58.200 0.167 0.000 0.912 148 S CB 0.009 63.334 63.200 0.207 0.000 0.790 148 S HN 0.595 nan 8.310 nan 0.000 0.504 149 G N 0.441 109.291 108.800 0.084 0.000 2.179 149 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.260 149 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.260 149 G C 0.329 175.288 174.900 0.100 0.000 0.977 149 G CA 0.489 45.621 45.100 0.053 0.000 0.641 149 G HN 0.542 nan 8.290 nan 0.000 0.533 150 Y N 0.122 120.441 120.300 0.033 0.000 2.243 150 Y HA 0.342 4.891 4.550 -0.001 0.000 0.293 150 Y C 2.721 178.647 175.900 0.042 0.000 1.124 150 Y CA 1.945 60.069 58.100 0.041 0.000 1.159 150 Y CB -0.220 38.274 38.460 0.056 0.000 1.008 150 Y HN 0.297 nan 8.280 nan 0.000 0.527 151 L N -0.730 120.605 121.223 0.185 0.000 2.046 151 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 151 L C 2.171 179.051 176.870 0.017 0.000 1.077 151 L CA 1.364 56.271 54.840 0.112 0.000 0.747 151 L CB -0.397 41.736 42.059 0.123 0.000 0.896 151 L HN 0.280 nan 8.230 nan 0.000 0.432 152 I N -0.226 120.344 120.570 -0.001 0.000 2.756 152 I HA -0.276 3.894 4.170 -0.001 0.000 0.262 152 I C 2.091 178.160 176.117 -0.080 0.000 1.225 152 I CA 1.458 62.734 61.300 -0.039 0.000 1.472 152 I CB -0.205 37.767 38.000 -0.047 0.000 1.094 152 I HN 0.382 nan 8.210 nan 0.000 0.454 153 Q N -0.314 119.419 119.800 -0.113 0.000 2.360 153 Q HA 0.130 4.470 4.340 -0.001 0.000 0.202 153 Q C 0.287 176.187 176.000 -0.168 0.000 0.915 153 Q CA -0.003 55.708 55.803 -0.154 0.000 0.943 153 Q CB 0.059 28.680 28.738 -0.196 0.000 1.064 153 Q HN 0.489 nan 8.270 nan 0.000 0.511 154 N N 0.212 118.828 118.700 -0.140 0.000 2.477 154 N HA 0.427 5.166 4.740 -0.001 0.000 0.284 154 N C 0.284 175.753 175.510 -0.068 0.000 1.182 154 N CA 0.776 53.764 53.050 -0.103 0.000 0.949 154 N CB 1.645 40.095 38.487 -0.062 0.000 1.204 154 N HN 0.206 nan 8.380 nan 0.000 0.526 155 G N 0.848 109.611 108.800 -0.061 0.000 2.545 155 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.216 155 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.216 155 G C -1.021 173.835 174.900 -0.072 0.000 1.314 155 G CA -0.513 44.552 45.100 -0.059 0.000 0.906 155 G HN 0.571 nan 8.290 nan 0.000 0.563 156 D N -1.153 119.207 120.400 -0.067 0.000 2.385 156 D HA 0.556 5.195 4.640 -0.001 0.000 0.254 156 D C 2.060 178.319 176.300 -0.069 0.000 1.053 156 D CA 0.045 54.004 54.000 -0.069 0.000 0.992 156 D CB 1.751 42.515 40.800 -0.060 0.000 1.145 156 D HN 0.347 nan 8.370 nan 0.000 0.523 157 V N 1.069 120.941 119.914 -0.071 0.000 2.277 157 V HA -0.237 3.883 4.120 -0.001 0.000 0.253 157 V C 0.973 177.033 176.094 -0.057 0.000 1.067 157 V CA 1.941 64.200 62.300 -0.069 0.000 1.047 157 V CB -0.240 31.547 31.823 -0.061 0.000 0.649 157 V HN 0.561 nan 8.190 nan 0.000 0.447 158 D N -0.980 119.391 120.400 -0.047 0.000 2.538 158 D HA 0.266 4.905 4.640 -0.001 0.000 0.231 158 D C 0.335 176.613 176.300 -0.037 0.000 1.229 158 D CA 0.111 54.087 54.000 -0.039 0.000 0.828 158 D CB 0.903 41.684 40.800 -0.032 0.000 1.035 158 D HN 0.415 nan 8.370 nan 0.000 0.495 159 Q N 1.441 121.216 119.800 -0.041 0.000 2.709 159 Q HA 0.262 4.602 4.340 -0.001 0.000 0.232 159 Q C -2.826 173.151 176.000 -0.039 0.000 0.856 159 Q CA -1.447 54.333 55.803 -0.037 0.000 0.788 159 Q CB 2.150 30.866 28.738 -0.038 0.000 1.386 159 Q HN -0.144 nan 8.270 nan 0.000 0.453 163 A N 1.056 124.017 122.820 0.236 0.000 2.445 163 A HA 0.590 4.909 4.320 -0.001 0.000 0.242 163 A C -0.747 176.970 177.584 0.222 0.000 1.075 163 A CA 0.305 52.482 52.037 0.234 0.000 0.777 163 A CB 0.008 19.217 19.000 0.350 0.000 1.013 163 A HN 0.472 nan 8.150 nan 0.000 0.493 164 F N 2.411 122.341 119.950 -0.034 0.000 2.588 164 F HA 0.666 5.192 4.527 -0.001 0.000 0.310 164 F C -2.218 173.474 175.800 -0.180 0.000 1.082 164 F CA -1.889 56.019 58.000 -0.154 0.000 0.929 164 F CB 2.348 41.251 39.000 -0.162 0.000 1.254 164 F HN 0.457 nan 8.300 nan 0.000 0.455 165 P HA 0.307 nan 4.420 nan 0.000 0.297 165 P C -1.589 175.178 177.300 -0.890 0.000 1.342 165 P CA -0.122 61.872 63.100 -1.843 0.000 0.801 165 P CB 0.477 31.183 31.700 -1.657 0.000 0.920 166 Y N 0.202 120.306 120.300 -0.327 0.000 3.589 166 Y HA -0.254 4.296 4.550 -0.001 0.000 0.218 166 Y C 1.679 177.558 175.900 -0.035 0.000 1.234 166 Y CA 0.844 58.864 58.100 -0.134 0.000 1.576 166 Y CB -3.289 35.059 38.460 -0.187 0.000 1.487 166 Y HN 0.308 nan 8.280 nan 0.000 0.616 167 T N -1.078 113.518 114.554 0.070 0.000 2.699 167 T HA -0.235 4.114 4.350 -0.001 0.000 0.268 167 T C 2.073 176.826 174.700 0.090 0.000 1.036 167 T CA 1.926 64.066 62.100 0.068 0.000 1.147 167 T CB -0.248 68.675 68.868 0.092 0.000 0.862 167 T HN 0.709 nan 8.240 nan 0.000 0.446 168 A N 1.600 124.471 122.820 0.085 0.000 2.015 168 A HA -0.119 4.200 4.320 -0.001 0.000 0.219 168 A C 2.084 179.666 177.584 -0.004 0.000 1.163 168 A CA 1.525 53.598 52.037 0.060 0.000 0.646 168 A CB -0.472 18.539 19.000 0.019 0.000 0.806 168 A HN 0.337 nan 8.150 nan 0.000 0.448 169 D N -1.178 119.158 120.400 -0.107 0.000 2.117 169 D HA -0.119 4.521 4.640 -0.001 0.000 0.198 169 D C 1.614 177.680 176.300 -0.390 0.000 0.982 169 D CA 1.300 55.135 54.000 -0.275 0.000 0.828 169 D CB -0.382 40.164 40.800 -0.423 0.000 0.967 169 D HN 0.585 nan 8.370 nan 0.000 0.464 170 Y N -0.019 120.117 120.300 -0.274 0.000 2.163 170 Y HA -0.087 4.462 4.550 -0.001 0.000 0.288 170 Y C 2.375 178.159 175.900 -0.193 0.000 1.136 170 Y CA 0.741 58.544 58.100 -0.493 0.000 1.147 170 Y CB -0.830 37.231 38.460 -0.665 0.000 0.987 170 Y HN -0.035 nan 8.280 nan 0.000 0.509 171 F N -0.423 119.527 119.950 -0.001 0.000 2.126 171 F HA -0.292 4.235 4.527 -0.001 0.000 0.299 171 F C 2.499 178.294 175.800 -0.007 0.000 1.096 171 F CA 1.458 59.454 58.000 -0.007 0.000 1.255 171 F CB -0.330 38.622 39.000 -0.079 0.000 0.997 171 F HN -0.067 nan 8.300 nan 0.000 0.479 172 S N -0.302 115.489 115.700 0.151 0.000 2.368 172 S HA -0.105 4.365 4.470 -0.001 0.000 0.224 172 S C 2.311 176.949 174.600 0.063 0.000 1.029 172 S CA 1.061 59.295 58.200 0.057 0.000 0.988 172 S CB -0.919 62.272 63.200 -0.015 0.000 0.838 172 S HN 0.516 nan 8.310 nan 0.000 0.462 173 G N 1.815 110.666 108.800 0.085 0.000 2.404 173 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.215 173 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.215 173 G C 1.383 176.389 174.900 0.176 0.000 1.174 173 G CA 0.757 45.950 45.100 0.153 0.000 0.780 173 G HN 0.391 nan 8.290 nan 0.000 0.537 174 L N 1.113 122.513 121.223 0.294 0.000 2.042 174 L HA -0.054 4.286 4.340 -0.001 0.000 0.210 174 L C 2.937 179.868 176.870 0.101 0.000 1.076 174 L CA 2.542 57.494 54.840 0.187 0.000 0.749 174 L CB -1.012 41.214 42.059 0.278 0.000 0.893 174 L HN 0.203 nan 8.230 nan 0.000 0.432 175 T N -0.239 114.390 114.554 0.124 0.000 2.720 175 T HA -0.199 4.150 4.350 -0.001 0.000 0.268 175 T C 1.912 176.645 174.700 0.056 0.000 1.037 175 T CA 1.405 63.556 62.100 0.085 0.000 1.144 175 T CB -0.548 68.361 68.868 0.068 0.000 0.864 175 T HN 0.546 nan 8.240 nan 0.000 0.444 176 A N 1.321 124.169 122.820 0.046 0.000 1.908 176 A HA -0.163 4.156 4.320 -0.001 0.000 0.218 176 A C 2.563 180.188 177.584 0.068 0.000 1.181 176 A CA 2.247 54.309 52.037 0.041 0.000 0.627 176 A CB -1.329 17.679 19.000 0.013 0.000 0.818 176 A HN 0.492 nan 8.150 nan 0.000 0.445 177 T N 0.011 114.577 114.554 0.020 0.000 2.684 177 T HA -0.143 4.206 4.350 -0.001 0.000 0.267 177 T C 2.032 176.722 174.700 -0.017 0.000 1.036 177 T CA 2.031 64.093 62.100 -0.063 0.000 1.148 177 T CB -0.708 67.934 68.868 -0.376 0.000 0.863 177 T HN 0.607 nan 8.240 nan 0.000 0.436 178 T N 2.215 116.774 114.554 0.008 0.000 2.652 178 T HA -0.081 4.268 4.350 -0.001 0.000 0.267 178 T C 2.421 177.168 174.700 0.079 0.000 1.039 178 T CA 1.303 63.433 62.100 0.051 0.000 1.153 178 T CB -0.674 68.231 68.868 0.063 0.000 0.863 178 T HN 0.446 nan 8.240 nan 0.000 0.428 179 A N 1.453 124.321 122.820 0.080 0.000 1.902 179 A HA 0.181 4.500 4.320 -0.001 0.000 0.217 179 A C 2.661 180.317 177.584 0.118 0.000 1.181 179 A CA 1.833 53.924 52.037 0.090 0.000 0.623 179 A CB -1.120 17.926 19.000 0.077 0.000 0.818 179 A HN 0.523 nan 8.150 nan 0.000 0.443 180 A N -0.291 122.617 122.820 0.148 0.000 1.902 180 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 180 A C 2.142 179.855 177.584 0.216 0.000 1.181 180 A CA 1.454 53.603 52.037 0.188 0.000 0.623 180 A CB -0.585 18.565 19.000 0.250 0.000 0.818 180 A HN 0.466 nan 8.150 nan 0.000 0.443 181 L N -0.805 120.555 121.223 0.229 0.000 2.131 181 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 181 L C 3.053 180.021 176.870 0.163 0.000 1.092 181 L CA 0.903 55.867 54.840 0.206 0.000 0.759 181 L CB -0.481 41.674 42.059 0.161 0.000 0.903 181 L HN 0.443 nan 8.230 nan 0.000 0.435 182 A N 0.080 122.982 122.820 0.137 0.000 1.873 182 A HA -0.151 4.168 4.320 -0.001 0.000 0.215 182 A C 2.531 180.211 177.584 0.161 0.000 1.186 182 A CA 1.670 53.786 52.037 0.132 0.000 0.616 182 A CB -0.713 18.346 19.000 0.100 0.000 0.823 182 A HN 0.377 nan 8.150 nan 0.000 0.442 183 A N -0.660 122.245 122.820 0.142 0.000 1.969 183 A HA -0.001 4.318 4.320 -0.001 0.000 0.218 183 A C 2.109 179.768 177.584 0.124 0.000 1.169 183 A CA 1.628 53.743 52.037 0.129 0.000 0.635 183 A CB -0.569 18.509 19.000 0.130 0.000 0.810 183 A HN 0.658 nan 8.150 nan 0.000 0.445 184 L N -0.754 120.555 121.223 0.142 0.000 2.046 184 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 184 L C 2.325 179.268 176.870 0.123 0.000 1.077 184 L CA 2.817 57.733 54.840 0.127 0.000 0.747 184 L CB -0.808 41.340 42.059 0.147 0.000 0.896 184 L HN 0.619 nan 8.230 nan 0.000 0.432 185 H N -0.264 118.842 119.070 0.060 0.000 2.319 185 H HA -0.250 4.305 4.556 -0.001 0.000 0.297 185 H C 2.225 177.572 175.328 0.032 0.000 1.097 185 H CA 2.398 58.472 56.048 0.043 0.000 1.285 185 H CB -0.027 29.760 29.762 0.043 0.000 1.368 185 H HN 0.265 nan 8.280 nan 0.000 0.495 186 K N -0.138 120.234 120.400 -0.046 0.000 2.148 186 K HA -0.047 4.272 4.320 -0.001 0.000 0.204 186 K C 2.121 178.664 176.600 -0.096 0.000 1.050 186 K CA 1.206 57.432 56.287 -0.101 0.000 0.942 186 K CB -0.431 32.070 32.500 0.001 0.000 0.724 186 K HN 0.244 nan 8.250 nan 0.000 0.446 187 V N 1.133 121.021 119.914 -0.044 0.000 2.407 187 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 187 V C 2.527 178.585 176.094 -0.060 0.000 1.055 187 V CA 1.834 64.113 62.300 -0.035 0.000 1.049 187 V CB -0.569 31.257 31.823 0.005 0.000 0.662 187 V HN 0.376 nan 8.190 nan 0.000 0.455 188 R N 0.068 120.519 120.500 -0.082 0.000 2.103 188 R HA -0.241 4.098 4.340 -0.001 0.000 0.242 188 R C 2.261 178.504 176.300 -0.096 0.000 1.142 188 R CA 2.253 58.302 56.100 -0.085 0.000 0.960 188 R CB -0.089 30.152 30.300 -0.098 0.000 0.858 188 R HN 0.612 nan 8.270 nan 0.000 0.439 189 E N -1.485 118.634 120.200 -0.134 0.000 2.086 189 E HA -0.077 4.273 4.350 -0.001 0.000 0.190 189 E C 1.815 178.370 176.600 -0.075 0.000 0.975 189 E CA 1.736 58.073 56.400 -0.105 0.000 0.813 189 E CB 0.108 29.734 29.700 -0.123 0.000 0.768 189 E HN 0.489 nan 8.360 nan 0.000 0.457 190 T N -3.796 110.712 114.554 -0.076 0.000 3.014 190 T HA 0.238 4.587 4.350 -0.001 0.000 0.250 190 T C 1.674 176.335 174.700 -0.065 0.000 1.060 190 T CA 0.341 62.401 62.100 -0.066 0.000 1.040 190 T CB 0.462 69.289 68.868 -0.069 0.000 0.971 190 T HN 0.241 nan 8.240 nan 0.000 0.497 191 G N 1.605 110.368 108.800 -0.061 0.000 2.168 191 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.257 191 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.257 191 G C -0.135 174.720 174.900 -0.075 0.000 0.997 191 G CA 0.538 45.605 45.100 -0.056 0.000 0.708 191 G HN 0.699 nan 8.290 nan 0.000 0.520 192 K N -0.085 120.258 120.400 -0.094 0.000 2.316 192 K HA 0.601 4.920 4.320 -0.001 0.000 0.251 192 K C 1.016 177.533 176.600 -0.137 0.000 0.934 192 K CA -0.342 55.851 56.287 -0.156 0.000 0.802 192 K CB 1.875 34.262 32.500 -0.188 0.000 1.171 192 K HN 0.217 nan 8.250 nan 0.000 0.426 193 G N 0.946 109.627 108.800 -0.198 0.000 2.516 193 G HA2 0.271 4.230 3.960 -0.001 0.000 0.276 193 G HA3 0.271 4.230 3.960 -0.001 0.000 0.276 193 G C -0.720 174.195 174.900 0.025 0.000 1.390 193 G CA 0.321 45.413 45.100 -0.014 0.000 1.050 193 G HN 0.534 nan 8.290 nan 0.000 0.519 194 E N -2.285 118.134 120.200 0.366 0.000 2.390 194 E HA 0.513 4.863 4.350 -0.001 0.000 0.280 194 E C -1.348 175.589 176.600 0.561 0.000 0.992 194 E CA -0.598 56.033 56.400 0.385 0.000 0.790 194 E CB 1.760 31.582 29.700 0.204 0.000 1.248 194 E HN 0.505 nan 8.360 nan 0.000 0.447 195 S N 2.955 118.951 115.700 0.493 0.000 2.502 195 S HA 0.753 5.222 4.470 -0.001 0.000 0.304 195 S C -1.090 173.666 174.600 0.260 0.000 1.097 195 S CA -0.622 57.789 58.200 0.352 0.000 1.045 195 S CB 0.313 63.711 63.200 0.329 0.000 1.019 195 S HN 0.430 nan 8.310 nan 0.000 0.481 196 I N 3.569 124.276 120.570 0.230 0.000 2.418 196 I HA 0.355 4.525 4.170 -0.001 0.000 0.287 196 I C -1.028 175.195 176.117 0.176 0.000 1.008 196 I CA -0.717 60.684 61.300 0.168 0.000 1.104 196 I CB 1.965 40.037 38.000 0.119 0.000 1.264 196 I HN 0.521 nan 8.210 nan 0.000 0.438 197 D N 7.979 128.463 120.400 0.139 0.000 2.473 197 D HA 0.398 5.038 4.640 -0.001 0.000 0.226 197 D C -0.766 175.571 176.300 0.062 0.000 1.089 197 D CA -0.299 53.769 54.000 0.114 0.000 0.883 197 D CB 0.631 41.510 40.800 0.131 0.000 1.029 197 D HN 0.271 nan 8.370 nan 0.000 0.517 198 I N 3.262 123.859 120.570 0.046 0.000 2.291 198 I HA 0.466 4.636 4.170 -0.001 0.000 0.290 198 I C 0.786 176.884 176.117 -0.032 0.000 1.050 198 I CA -0.376 60.923 61.300 -0.002 0.000 1.245 198 I CB 1.290 39.292 38.000 0.003 0.000 1.405 198 I HN 0.349 nan 8.210 nan 0.000 0.478 202 E N 1.728 121.514 120.200 -0.690 0.000 2.107 202 E HA 0.052 4.401 4.350 -0.001 0.000 0.191 202 E C 0.782 177.243 176.600 -0.231 0.000 0.982 202 E CA 1.037 57.146 56.400 -0.484 0.000 0.809 202 E CB 0.277 29.662 29.700 -0.525 0.000 0.756 202 E HN 0.230 nan 8.360 nan 0.000 0.459 209 Q N -0.364 119.506 119.800 0.116 0.000 2.408 209 Q HA 0.173 4.512 4.340 -0.001 0.000 0.205 209 Q C 1.549 177.577 176.000 0.047 0.000 0.919 209 Q CA -0.138 55.724 55.803 0.099 0.000 0.932 209 Q CB 0.102 28.900 28.738 0.100 0.000 1.058 209 Q HN 0.675 nan 8.270 nan 0.000 0.517 210 Y N 0.022 120.251 120.300 -0.118 0.000 2.151 210 Y HA -0.242 4.307 4.550 -0.001 0.000 0.284 210 Y C 0.302 175.928 175.900 -0.456 0.000 1.166 210 Y CA 1.275 59.176 58.100 -0.332 0.000 1.163 210 Y CB 0.217 38.372 38.460 -0.510 0.000 0.974 210 Y HN -0.058 nan 8.280 nan 0.000 0.511 215 Y N 1.463 121.731 120.300 -0.053 0.000 2.181 215 Y HA -0.125 4.424 4.550 -0.001 0.000 0.288 215 Y C 1.874 177.758 175.900 -0.027 0.000 1.146 215 Y CA 1.784 59.822 58.100 -0.102 0.000 1.164 215 Y CB -0.271 38.047 38.460 -0.236 0.000 0.982 215 Y HN -0.134 nan 8.280 nan 0.000 0.515 216 F N 0.352 120.281 119.950 -0.035 0.000 2.365 216 F HA -0.085 4.442 4.527 -0.001 0.000 0.300 216 F C 1.107 176.826 175.800 -0.136 0.000 1.090 216 F CA 0.967 58.912 58.000 -0.092 0.000 1.408 216 F CB -0.435 38.592 39.000 0.044 0.000 1.060 216 F HN 0.158 nan 8.300 nan 0.000 0.534 217 N N -0.630 118.105 118.700 0.058 0.000 2.541 217 N HA 0.267 5.007 4.740 -0.001 0.000 0.297 217 N C 1.222 176.716 175.510 -0.027 0.000 1.503 217 N CA 0.777 53.840 53.050 0.020 0.000 0.919 217 N CB 1.010 39.526 38.487 0.049 0.000 1.305 217 N HN 0.287 nan 8.380 nan 0.000 0.501 218 G N -0.566 108.182 108.800 -0.087 0.000 2.213 218 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.236 218 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.236 218 G C 0.503 175.365 174.900 -0.064 0.000 0.991 218 G CA -0.076 44.977 45.100 -0.078 0.000 0.629 218 G HN 0.581 nan 8.290 nan 0.000 0.517 219 G N -0.613 108.158 108.800 -0.047 0.000 2.641 219 G HA2 0.658 4.618 3.960 -0.001 0.000 0.239 219 G HA3 0.658 4.618 3.960 -0.001 0.000 0.239 219 G C -0.149 174.775 174.900 0.041 0.000 1.402 219 G CA 0.032 45.134 45.100 0.004 0.000 1.046 219 G HN 0.405 nan 8.290 nan 0.000 0.565 223 P HA 0.526 nan 4.420 nan 0.000 0.275 223 P C -0.119 177.016 177.300 -0.274 0.000 1.266 223 P CA -0.314 62.638 63.100 -0.247 0.000 0.793 223 P CB 0.473 32.054 31.700 -0.198 0.000 1.074 227 K N 3.043 123.392 120.400 -0.085 0.000 3.071 227 K HA -0.226 4.094 4.320 -0.001 0.000 0.262 227 K C 0.937 177.467 176.600 -0.116 0.000 0.977 227 K CA 1.023 57.258 56.287 -0.087 0.000 0.721 227 K CB -1.833 30.627 32.500 -0.068 0.000 1.293 227 K HN 1.737 nan 8.250 nan 0.000 0.475 228 G N -0.209 108.524 108.800 -0.111 0.000 2.162 228 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.260 228 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.260 228 G C -0.052 174.781 174.900 -0.112 0.000 0.976 228 G CA 0.723 45.758 45.100 -0.108 0.000 0.655 228 G HN 0.367 nan 8.290 nan 0.000 0.533 229 K N 0.795 121.111 120.400 -0.140 0.000 2.144 229 K HA 0.284 4.604 4.320 -0.001 0.000 0.270 229 K C 0.075 176.633 176.600 -0.071 0.000 1.005 229 K CA -0.687 55.524 56.287 -0.125 0.000 0.932 229 K CB 1.023 33.424 32.500 -0.166 0.000 1.021 229 K HN 0.271 nan 8.250 nan 0.000 0.462 230 D N 2.987 123.381 120.400 -0.011 0.000 2.472 230 D HA -0.022 4.618 4.640 -0.001 0.000 0.237 230 D C -1.498 174.736 176.300 -0.111 0.000 1.141 230 D CA -1.274 52.719 54.000 -0.012 0.000 0.875 230 D CB 1.080 41.948 40.800 0.113 0.000 1.192 230 D HN 0.227 nan 8.370 nan 0.000 0.450 231 P HA -0.094 nan 4.420 nan 0.000 0.223 231 P C 0.421 177.456 177.300 -0.441 0.000 1.151 231 P CA 0.994 63.855 63.100 -0.397 0.000 0.787 231 P CB 0.189 31.520 31.700 -0.616 0.000 0.788 232 Y N -2.778 117.235 120.300 -0.480 0.000 2.526 232 Y HA 0.238 4.787 4.550 -0.001 0.000 0.265 232 Y C 0.592 175.951 175.900 -0.901 0.000 1.092 232 Y CA -0.868 56.710 58.100 -0.869 0.000 1.277 232 Y CB -0.344 37.400 38.460 -1.194 0.000 1.228 232 Y HN -0.200 nan 8.280 nan 0.000 0.507 233 Y N 0.779 121.069 120.300 -0.017 0.000 2.369 233 Y HA 0.628 5.177 4.550 -0.001 0.000 0.337 233 Y C 0.486 176.416 175.900 0.051 0.000 0.961 233 Y CA -1.858 56.253 58.100 0.018 0.000 1.186 233 Y CB 0.560 39.064 38.460 0.074 0.000 1.139 233 Y HN -0.039 nan 8.280 nan 0.000 0.494 234 A N 2.103 125.042 122.820 0.198 0.000 2.483 234 A HA 0.452 4.771 4.320 -0.001 0.000 0.238 234 A C 1.374 179.095 177.584 0.229 0.000 1.070 234 A CA 0.517 52.675 52.037 0.200 0.000 0.770 234 A CB -0.565 18.549 19.000 0.190 0.000 1.008 234 A HN 1.542 nan 8.150 nan 0.000 0.497 235 G N -0.072 108.897 108.800 0.281 0.000 2.153 235 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.252 235 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.252 235 G C 0.121 175.161 174.900 0.235 0.000 0.994 235 G CA 0.316 45.551 45.100 0.224 0.000 0.698 235 G HN 1.243 nan 8.290 nan 0.000 0.521 236 C N -0.003 119.480 119.300 0.305 0.000 2.369 236 C HA 0.944 5.403 4.460 -0.001 0.000 0.322 236 C C 1.036 176.181 174.990 0.258 0.000 1.258 236 C CA 0.430 59.593 59.018 0.243 0.000 1.487 236 C CB 0.736 28.586 27.740 0.183 0.000 2.165 236 C HN 2.036 nan 8.230 nan 0.000 0.483 237 G N 2.223 111.174 108.800 0.251 0.000 2.295 237 G HA2 0.168 4.127 3.960 -0.001 0.000 0.195 237 G HA3 0.168 4.127 3.960 -0.001 0.000 0.195 237 G C -1.522 173.504 174.900 0.210 0.000 1.269 237 G CA -0.493 44.700 45.100 0.156 0.000 1.170 237 G HN 0.845 nan 8.290 nan 0.000 0.511 238 L N 0.712 121.948 121.223 0.022 0.000 2.312 238 L HA 0.861 5.200 4.340 -0.001 0.000 0.281 238 L C -0.858 175.922 176.870 -0.150 0.000 1.070 238 L CA -0.718 54.142 54.840 0.034 0.000 0.805 238 L CB 0.754 42.784 42.059 -0.048 0.000 1.174 238 L HN 0.607 nan 8.230 nan 0.000 0.434 239 Y N 2.767 123.172 120.300 0.175 0.000 2.581 239 Y HA 0.501 5.050 4.550 -0.001 0.000 0.345 239 Y C -0.659 175.365 175.900 0.207 0.000 1.036 239 Y CA -0.948 57.260 58.100 0.181 0.000 1.042 239 Y CB 1.771 40.338 38.460 0.178 0.000 1.289 239 Y HN 0.472 nan 8.280 nan 0.000 0.471 240 K N 1.480 122.045 120.400 0.276 0.000 2.265 240 K HA 0.671 4.990 4.320 -0.001 0.000 0.267 240 K C -1.329 175.303 176.600 0.053 0.000 0.994 240 K CA -0.135 56.200 56.287 0.081 0.000 0.860 240 K CB 0.531 33.028 32.500 -0.006 0.000 1.099 240 K HN 0.743 nan 8.250 nan 0.000 0.448 241 C N 2.215 121.503 119.300 -0.020 0.000 2.464 241 C HA 0.527 4.987 4.460 -0.001 0.000 0.398 241 C C 2.031 176.962 174.990 -0.100 0.000 1.451 241 C CA -0.228 58.761 59.018 -0.048 0.000 1.986 241 C CB 0.856 28.563 27.740 -0.055 0.000 2.004 241 C HN 1.026 nan 8.230 nan 0.000 0.530 242 A N 1.024 123.780 122.820 -0.107 0.000 1.908 242 A HA -0.141 4.179 4.320 -0.001 0.000 0.218 242 A C 1.274 178.790 177.584 -0.113 0.000 1.181 242 A CA 2.459 54.428 52.037 -0.113 0.000 0.627 242 A CB -0.469 18.459 19.000 -0.120 0.000 0.818 242 A HN 0.959 nan 8.150 nan 0.000 0.445 243 D N -2.460 117.876 120.400 -0.106 0.000 2.593 243 D HA 0.446 5.086 4.640 -0.001 0.000 0.241 243 D C 0.434 176.669 176.300 -0.108 0.000 1.257 243 D CA 0.571 54.513 54.000 -0.098 0.000 0.828 243 D CB -0.216 40.541 40.800 -0.072 0.000 1.049 243 D HN 0.678 nan 8.370 nan 0.000 0.490 244 G N -0.745 107.956 108.800 -0.166 0.000 2.359 244 G HA2 0.227 4.187 3.960 -0.001 0.000 0.293 244 G HA3 0.227 4.187 3.960 -0.001 0.000 0.293 244 G C -1.926 172.844 174.900 -0.217 0.000 1.300 244 G CA -1.173 43.814 45.100 -0.188 0.000 0.888 244 G HN 0.007 nan 8.290 nan 0.000 0.541 245 Y N -0.645 119.671 120.300 0.027 0.000 2.352 245 Y HA 0.806 5.355 4.550 -0.001 0.000 0.326 245 Y C 0.831 176.771 175.900 0.067 0.000 1.166 245 Y CA -0.590 57.540 58.100 0.051 0.000 1.182 245 Y CB 1.871 40.355 38.460 0.040 0.000 1.216 245 Y HN 0.620 nan 8.280 nan 0.000 0.474 246 I N 2.314 123.054 120.570 0.284 0.000 2.934 246 I HA 0.649 4.819 4.170 -0.001 0.000 0.306 246 I C -0.955 175.320 176.117 0.263 0.000 1.110 246 I CA -1.151 60.286 61.300 0.228 0.000 1.019 246 I CB 1.813 39.927 38.000 0.190 0.000 1.227 246 I HN 0.522 nan 8.210 nan 0.000 0.434 250 L N 3.525 124.705 121.223 -0.071 0.000 2.404 250 L HA 0.238 4.578 4.340 -0.001 0.000 0.277 250 L C -1.105 175.711 176.870 -0.090 0.000 1.184 250 L CA -0.115 54.655 54.840 -0.117 0.000 1.013 250 L CB 0.258 42.278 42.059 -0.065 0.000 1.318 250 L HN 0.225 nan 8.230 nan 0.000 0.435 251 V N 3.754 123.598 119.914 -0.116 0.000 2.577 251 V HA 0.962 5.081 4.120 -0.001 0.000 0.303 251 V C 0.278 176.307 176.094 -0.109 0.000 1.042 251 V CA -0.186 62.053 62.300 -0.102 0.000 0.872 251 V CB 1.190 32.956 31.823 -0.096 0.000 0.998 251 V HN 0.884 nan 8.190 nan 0.000 0.423 252 G N 3.254 111.992 108.800 -0.102 0.000 2.465 252 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.681 252 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.681 252 G C -0.075 174.757 174.900 -0.114 0.000 1.340 252 G CA -0.329 44.713 45.100 -0.096 0.000 0.884 252 G HN 0.595 nan 8.290 nan 0.000 0.650 253 I N 0.414 120.925 120.570 -0.099 0.000 2.142 253 I HA -0.153 4.016 4.170 -0.001 0.000 0.240 253 I C 3.008 179.046 176.117 -0.132 0.000 1.078 253 I CA 2.249 63.481 61.300 -0.113 0.000 1.343 253 I CB -0.412 37.538 38.000 -0.084 0.000 1.046 253 I HN 0.664 nan 8.210 nan 0.000 0.405 254 T N -0.278 114.212 114.554 -0.108 0.000 2.821 254 T HA -0.192 4.157 4.350 -0.001 0.000 0.267 254 T C 1.859 176.483 174.700 -0.127 0.000 1.046 254 T CA 1.171 63.209 62.100 -0.103 0.000 1.139 254 T CB -0.198 68.625 68.868 -0.075 0.000 0.871 254 T HN 0.266 nan 8.240 nan 0.000 0.454 255 Q N 0.680 120.397 119.800 -0.139 0.000 2.061 255 Q HA -0.005 4.334 4.340 -0.001 0.000 0.204 255 Q C 2.206 178.083 176.000 -0.204 0.000 0.984 255 Q CA 1.436 57.136 55.803 -0.171 0.000 0.846 255 Q CB -0.469 28.161 28.738 -0.179 0.000 0.902 255 Q HN 0.513 nan 8.270 nan 0.000 0.421 256 I N 0.193 120.617 120.570 -0.242 0.000 2.252 256 I HA -0.253 3.916 4.170 -0.001 0.000 0.245 256 I C 1.986 177.828 176.117 -0.458 0.000 1.102 256 I CA 1.152 62.220 61.300 -0.387 0.000 1.385 256 I CB -0.188 37.536 38.000 -0.458 0.000 1.064 256 I HN 0.274 nan 8.210 nan 0.000 0.414 257 E N 0.502 120.511 120.200 -0.317 0.000 2.051 257 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 257 E C 2.099 178.630 176.600 -0.115 0.000 0.991 257 E CA 1.077 57.343 56.400 -0.223 0.000 0.799 257 E CB -0.048 29.561 29.700 -0.152 0.000 0.748 257 E HN 0.449 nan 8.360 nan 0.000 0.449 258 E N 0.332 120.468 120.200 -0.107 0.000 2.107 258 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 258 E C 2.259 178.812 176.600 -0.078 0.000 0.982 258 E CA 0.580 56.937 56.400 -0.072 0.000 0.809 258 E CB -0.373 29.287 29.700 -0.067 0.000 0.756 258 E HN 0.274 nan 8.360 nan 0.000 0.459 259 C N 0.555 119.799 119.300 -0.093 0.000 2.429 259 C HA -0.141 4.318 4.460 -0.001 0.000 0.277 259 C C 2.535 177.521 174.990 -0.007 0.000 1.262 259 C CA 0.415 59.371 59.018 -0.104 0.000 1.733 259 C CB -1.262 26.425 27.740 -0.089 0.000 2.010 259 C HN 0.249 nan 8.230 nan 0.000 0.483 260 F N 1.524 121.355 119.950 -0.199 0.000 2.171 260 F HA -0.014 4.513 4.527 -0.001 0.000 0.300 260 F C 2.352 178.052 175.800 -0.166 0.000 1.090 260 F CA 1.591 59.483 58.000 -0.180 0.000 1.293 260 F CB -0.868 38.038 39.000 -0.157 0.000 1.013 260 F HN 0.285 nan 8.300 nan 0.000 0.486 261 K N 0.055 120.484 120.400 0.049 0.000 2.032 261 K HA -0.201 4.119 4.320 -0.001 0.000 0.209 261 K C 1.766 178.332 176.600 -0.057 0.000 1.048 261 K CA 1.810 58.096 56.287 -0.002 0.000 0.927 261 K CB -0.333 32.164 32.500 -0.006 0.000 0.712 261 K HN 0.088 nan 8.250 nan 0.000 0.441 262 D N 0.741 121.048 120.400 -0.154 0.000 2.104 262 D HA -0.161 4.479 4.640 -0.001 0.000 0.194 262 D C 1.759 177.853 176.300 -0.344 0.000 0.994 262 D CA 1.298 55.131 54.000 -0.279 0.000 0.830 262 D CB -0.129 40.294 40.800 -0.629 0.000 0.959 262 D HN 0.410 nan 8.370 nan 0.000 0.452 263 I N -3.947 116.384 120.570 -0.399 0.000 3.578 263 I HA 0.281 4.451 4.170 -0.001 0.000 0.295 263 I C 1.021 177.094 176.117 -0.074 0.000 1.280 263 I CA 0.747 61.890 61.300 -0.262 0.000 1.347 263 I CB 0.209 38.045 38.000 -0.274 0.000 1.051 263 I HN 0.066 nan 8.210 nan 0.000 0.460 264 G N 2.173 110.933 108.800 -0.066 0.000 2.135 264 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.183 264 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.183 264 G C 0.128 175.023 174.900 -0.009 0.000 1.004 264 G CA 0.053 45.153 45.100 -0.000 0.000 0.677 264 G HN 0.386 nan 8.290 nan 0.000 0.512 265 L N -0.114 121.027 121.223 -0.136 0.000 3.267 265 L HA 0.425 4.765 4.340 -0.001 0.000 0.289 265 L C 2.344 179.086 176.870 -0.213 0.000 1.260 265 L CA 0.397 55.029 54.840 -0.346 0.000 1.034 265 L CB 0.218 41.850 42.059 -0.712 0.000 1.413 265 L HN 0.280 nan 8.230 nan 0.000 0.594 266 A N 0.534 123.346 122.820 -0.013 0.000 1.948 266 A HA -0.259 4.060 4.320 -0.001 0.000 0.220 266 A C 2.149 179.746 177.584 0.021 0.000 1.177 266 A CA 2.104 54.168 52.037 0.046 0.000 0.636 266 A CB -0.744 18.292 19.000 0.061 0.000 0.815 266 A HN 0.702 nan 8.150 nan 0.000 0.449 267 H N -0.626 118.437 119.070 -0.013 0.000 2.521 267 H HA 0.051 4.606 4.556 -0.001 0.000 0.286 267 H C 1.552 176.849 175.328 -0.051 0.000 1.034 267 H CA 1.263 57.292 56.048 -0.032 0.000 1.278 267 H CB -0.558 29.174 29.762 -0.049 0.000 1.386 267 H HN 0.489 nan 8.280 nan 0.000 0.567 268 L N 0.944 121.893 121.223 -0.456 0.000 2.395 268 L HA 0.116 4.456 4.340 -0.001 0.000 0.218 268 L C 0.851 177.689 176.870 -0.052 0.000 1.130 268 L CA 0.033 54.681 54.840 -0.321 0.000 0.826 268 L CB -0.098 41.703 42.059 -0.430 0.000 0.941 268 L HN 0.074 nan 8.230 nan 0.000 0.451 269 L N 0.437 121.656 121.223 -0.007 0.000 2.410 269 L HA 0.259 4.598 4.340 -0.001 0.000 0.273 269 L C 1.315 178.181 176.870 -0.007 0.000 1.152 269 L CA 0.461 55.289 54.840 -0.020 0.000 0.855 269 L CB 0.467 42.500 42.059 -0.042 0.000 1.129 269 L HN 0.294 nan 8.230 nan 0.000 0.463 270 G N 1.164 109.960 108.800 -0.008 0.000 2.176 270 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.253 270 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.253 270 G C 0.313 175.231 174.900 0.031 0.000 0.979 270 G CA 0.218 45.323 45.100 0.007 0.000 0.641 270 G HN 0.741 nan 8.290 nan 0.000 0.530 271 T N -1.547 113.039 114.554 0.052 0.000 2.849 271 T HA 0.585 4.935 4.350 -0.001 0.000 0.284 271 T C -0.831 173.920 174.700 0.086 0.000 1.004 271 T CA -0.842 61.313 62.100 0.091 0.000 1.021 271 T CB 1.907 70.870 68.868 0.157 0.000 1.013 271 T HN -0.074 nan 8.240 nan 0.000 0.527 272 P HA -0.054 nan 4.420 nan 0.000 0.219 272 P C 1.017 178.359 177.300 0.070 0.000 1.146 272 P CA 0.965 64.102 63.100 0.061 0.000 0.808 272 P CB 0.059 31.788 31.700 0.049 0.000 0.779 273 E N -1.042 119.231 120.200 0.122 0.000 2.170 273 E HA 0.071 4.420 4.350 -0.001 0.000 0.191 273 E C 0.712 177.400 176.600 0.148 0.000 0.981 273 E CA 0.717 57.197 56.400 0.132 0.000 0.830 273 E CB -0.020 29.801 29.700 0.202 0.000 0.775 273 E HN 0.263 nan 8.360 nan 0.000 0.470 274 I N 1.728 122.385 120.570 0.146 0.000 2.871 274 I HA 0.225 4.395 4.170 -0.001 0.000 0.284 274 I C -2.516 173.620 176.117 0.032 0.000 1.390 274 I CA -2.043 59.311 61.300 0.089 0.000 0.958 274 I CB 1.305 39.373 38.000 0.113 0.000 1.618 274 I HN -0.149 nan 8.210 nan 0.000 0.595 275 P HA 0.034 nan 4.420 nan 0.000 0.274 275 P C -0.080 177.208 177.300 -0.020 0.000 1.246 275 P CA -0.163 62.941 63.100 0.007 0.000 0.795 275 P CB 0.754 32.461 31.700 0.011 0.000 1.006 276 E N 0.393 120.580 120.200 -0.021 0.000 2.608 276 E HA 0.109 4.459 4.350 -0.001 0.000 0.259 276 E C 0.936 177.515 176.600 -0.035 0.000 0.951 276 E CA 1.008 57.388 56.400 -0.034 0.000 0.945 276 E CB -0.775 28.910 29.700 -0.024 0.000 0.916 276 E HN 0.798 nan 8.360 nan 0.000 0.477 277 G N 3.238 112.008 108.800 -0.050 0.000 2.157 277 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.239 277 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.239 277 G C 0.251 175.122 174.900 -0.048 0.000 0.982 277 G CA 0.162 45.234 45.100 -0.046 0.000 0.650 277 G HN 0.620 nan 8.290 nan 0.000 0.527 278 T N 1.135 115.653 114.554 -0.061 0.000 2.834 278 T HA 0.400 4.750 4.350 -0.001 0.000 0.298 278 T C 1.462 176.117 174.700 -0.076 0.000 0.966 278 T CA 0.972 63.039 62.100 -0.055 0.000 1.141 278 T CB 1.095 69.925 68.868 -0.063 0.000 0.905 278 T HN 0.660 nan 8.240 nan 0.000 0.535 279 Q N 2.294 122.064 119.800 -0.049 0.000 2.189 279 Q HA 0.403 4.743 4.340 -0.001 0.000 0.223 279 Q C -0.374 175.598 176.000 -0.047 0.000 0.828 279 Q CA -0.375 55.391 55.803 -0.061 0.000 0.967 279 Q CB 0.495 29.202 28.738 -0.053 0.000 1.139 279 Q HN 0.381 nan 8.270 nan 0.000 0.497 280 L N 1.254 122.475 121.223 -0.003 0.000 2.588 280 L HA 0.481 4.820 4.340 -0.001 0.000 0.263 280 L C -1.837 175.117 176.870 0.140 0.000 0.935 280 L CA -0.604 54.263 54.840 0.045 0.000 0.891 280 L CB 2.260 44.328 42.059 0.015 0.000 1.318 280 L HN 0.173 nan 8.230 nan 0.000 0.409 281 I N 4.751 125.427 120.570 0.177 0.000 2.325 281 I HA 0.275 4.444 4.170 -0.001 0.000 0.291 281 I C -0.231 176.057 176.117 0.286 0.000 1.019 281 I CA -0.504 60.924 61.300 0.213 0.000 1.302 281 I CB 0.873 38.997 38.000 0.205 0.000 1.401 281 I HN 0.531 nan 8.210 nan 0.000 0.485 282 H N 7.492 126.655 119.070 0.155 0.000 2.652 282 H HA 0.194 4.749 4.556 -0.001 0.000 0.298 282 H C 0.910 176.259 175.328 0.034 0.000 1.076 282 H CA -0.333 55.743 56.048 0.048 0.000 1.360 282 H CB 0.972 30.709 29.762 -0.043 0.000 1.421 282 H HN 0.666 nan 8.280 nan 0.000 0.464 283 R N 4.184 124.694 120.500 0.017 0.000 2.189 283 R HA -0.041 4.298 4.340 -0.001 0.000 0.218 283 R C 0.730 177.109 176.300 0.132 0.000 1.074 283 R CA 0.862 57.016 56.100 0.089 0.000 0.991 283 R CB 0.197 30.518 30.300 0.036 0.000 0.883 283 R HN 0.318 nan 8.270 nan 0.000 0.457 284 I N 1.668 122.379 120.570 0.236 0.000 2.385 284 I HA -0.040 4.129 4.170 -0.001 0.000 0.244 284 I C 2.102 178.281 176.117 0.103 0.000 1.089 284 I CA 1.011 62.416 61.300 0.175 0.000 1.410 284 I CB -1.138 36.996 38.000 0.224 0.000 1.117 284 I HN 0.213 nan 8.210 nan 0.000 0.429 285 E N 0.057 120.312 120.200 0.091 0.000 2.153 285 E HA -0.187 4.163 4.350 -0.001 0.000 0.194 285 E C 0.873 177.466 176.600 -0.012 0.000 0.988 285 E CA 0.637 56.991 56.400 -0.077 0.000 0.811 285 E CB -0.070 29.458 29.700 -0.287 0.000 0.746 285 E HN 0.331 nan 8.360 nan 0.000 0.466 286 C N 2.060 121.398 119.300 0.063 0.000 2.373 286 C HA 0.170 4.630 4.460 -0.001 0.000 0.354 286 C C -1.384 173.608 174.990 0.004 0.000 1.249 286 C CA -2.052 57.000 59.018 0.056 0.000 1.784 286 C CB 0.220 28.043 27.740 0.139 0.000 2.408 286 C HN 0.142 nan 8.230 nan 0.000 0.542 287 P HA -0.102 nan 4.420 nan 0.000 0.219 287 P C 0.300 177.487 177.300 -0.190 0.000 1.146 287 P CA 1.527 64.499 63.100 -0.214 0.000 0.808 287 P CB -0.068 31.392 31.700 -0.400 0.000 0.779 288 Y N -1.105 119.223 120.300 0.048 0.000 2.490 288 Y HA 0.238 4.787 4.550 -0.001 0.000 0.281 288 Y C 2.437 178.361 175.900 0.040 0.000 1.174 288 Y CA 0.040 58.163 58.100 0.038 0.000 1.295 288 Y CB -1.330 37.152 38.460 0.037 0.000 1.062 288 Y HN -0.075 nan 8.280 nan 0.000 0.522 289 G N 1.907 110.809 108.800 0.170 0.000 2.599 289 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.219 289 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.219 289 G C -0.429 174.535 174.900 0.108 0.000 1.193 289 G CA 1.080 46.261 45.100 0.136 0.000 0.778 289 G HN 0.279 nan 8.290 nan 0.000 0.589 290 P HA -0.052 nan 4.420 nan 0.000 0.216 290 P C 2.014 179.357 177.300 0.072 0.000 1.150 290 P CA 0.538 63.681 63.100 0.071 0.000 0.837 290 P CB -0.135 31.598 31.700 0.055 0.000 0.786 291 L N -0.560 120.716 121.223 0.089 0.000 2.083 291 L HA -0.114 4.225 4.340 -0.001 0.000 0.209 291 L C 2.174 179.038 176.870 -0.009 0.000 1.083 291 L CA 1.713 56.588 54.840 0.059 0.000 0.752 291 L CB -1.159 40.962 42.059 0.103 0.000 0.899 291 L HN -0.206 nan 8.230 nan 0.000 0.433 292 V N -0.115 119.788 119.914 -0.018 0.000 2.287 292 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 292 V C 2.635 178.729 176.094 -0.001 0.000 1.053 292 V CA 1.908 64.148 62.300 -0.100 0.000 1.027 292 V CB -0.670 31.140 31.823 -0.022 0.000 0.646 292 V HN 0.470 nan 8.190 nan 0.000 0.447 293 E N -0.224 120.025 120.200 0.081 0.000 2.106 293 E HA -0.235 4.114 4.350 -0.001 0.000 0.192 293 E C 2.169 178.846 176.600 0.129 0.000 0.984 293 E CA 1.199 57.689 56.400 0.149 0.000 0.806 293 E CB -0.212 29.570 29.700 0.136 0.000 0.750 293 E HN 0.755 nan 8.360 nan 0.000 0.458 294 E N 0.882 121.129 120.200 0.078 0.000 2.051 294 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 294 E C 1.762 178.407 176.600 0.075 0.000 0.991 294 E CA 1.024 57.467 56.400 0.071 0.000 0.799 294 E CB 0.241 29.971 29.700 0.050 0.000 0.748 294 E HN -0.037 nan 8.360 nan 0.000 0.449 295 K N 0.381 120.803 120.400 0.038 0.000 2.062 295 K HA -0.101 4.218 4.320 -0.001 0.000 0.205 295 K C 2.208 178.864 176.600 0.094 0.000 1.051 295 K CA 0.313 56.620 56.287 0.033 0.000 0.941 295 K CB -0.530 31.931 32.500 -0.065 0.000 0.719 295 K HN 0.172 nan 8.250 nan 0.000 0.440 296 L N 2.548 123.818 121.223 0.079 0.000 1.989 296 L HA -0.207 4.133 4.340 -0.001 0.000 0.211 296 L C 1.636 178.659 176.870 0.255 0.000 1.071 296 L CA 1.929 56.855 54.840 0.144 0.000 0.749 296 L CB -0.878 41.239 42.059 0.097 0.000 0.890 296 L HN 0.145 nan 8.230 nan 0.000 0.431 297 D N -0.650 119.907 120.400 0.262 0.000 2.123 297 D HA -0.177 4.462 4.640 -0.001 0.000 0.196 297 D C 2.150 178.563 176.300 0.187 0.000 0.992 297 D CA 1.548 55.702 54.000 0.256 0.000 0.833 297 D CB -0.121 40.794 40.800 0.192 0.000 0.954 297 D HN 0.439 nan 8.370 nan 0.000 0.455 298 A N -0.064 122.855 122.820 0.166 0.000 1.898 298 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 298 A C 2.175 179.848 177.584 0.148 0.000 1.181 298 A CA 1.297 53.408 52.037 0.123 0.000 0.620 298 A CB -1.156 17.909 19.000 0.108 0.000 0.819 298 A HN 0.380 nan 8.150 nan 0.000 0.442 299 W N 0.594 121.921 121.300 0.046 0.000 2.379 299 W HA -0.112 4.548 4.660 -0.001 0.000 0.307 299 W C 1.780 178.383 176.519 0.140 0.000 1.200 299 W CA 1.860 59.257 57.345 0.087 0.000 1.297 299 W CB -0.292 29.233 29.460 0.108 0.000 1.140 299 W HN 0.242 nan 8.180 nan 0.000 0.507 300 L N 0.444 121.831 121.223 0.273 0.000 2.093 300 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 300 L C 2.634 179.478 176.870 -0.044 0.000 1.085 300 L CA 1.281 56.173 54.840 0.086 0.000 0.755 300 L CB -1.252 40.928 42.059 0.202 0.000 0.904 300 L HN 0.077 nan 8.230 nan 0.000 0.435 301 A N -0.288 122.521 122.820 -0.018 0.000 2.067 301 A HA -0.164 4.155 4.320 -0.001 0.000 0.219 301 A C 2.240 179.731 177.584 -0.156 0.000 1.158 301 A CA 1.882 53.880 52.037 -0.065 0.000 0.661 301 A CB -0.730 18.254 19.000 -0.026 0.000 0.801 301 A HN 0.511 nan 8.150 nan 0.000 0.452 302 T N -3.797 110.590 114.554 -0.277 0.000 3.086 302 T HA 0.251 4.601 4.350 -0.001 0.000 0.250 302 T C 0.278 174.639 174.700 -0.565 0.000 1.074 302 T CA -0.041 61.814 62.100 -0.409 0.000 0.988 302 T CB -0.383 68.189 68.868 -0.493 0.000 0.988 302 T HN 0.539 nan 8.240 nan 0.000 0.530 303 H N 1.394 120.249 119.070 -0.359 0.000 2.622 303 H HA 0.541 5.097 4.556 -0.001 0.000 0.363 303 H C 0.326 175.490 175.328 -0.274 0.000 1.151 303 H CA -0.723 55.090 56.048 -0.392 0.000 1.184 303 H CB 1.786 31.146 29.762 -0.669 0.000 1.643 303 H HN 0.242 nan 8.280 nan 0.000 0.531 304 T N -0.235 114.272 114.554 -0.078 0.000 2.788 304 T HA 0.116 4.465 4.350 -0.001 0.000 0.287 304 T C 1.662 176.301 174.700 -0.102 0.000 1.007 304 T CA -0.755 61.294 62.100 -0.086 0.000 1.005 304 T CB 0.682 69.508 68.868 -0.070 0.000 1.012 304 T HN 0.408 nan 8.240 nan 0.000 0.530 305 I N 1.074 121.597 120.570 -0.079 0.000 2.163 305 I HA -0.199 3.971 4.170 -0.001 0.000 0.243 305 I C 3.029 179.101 176.117 -0.075 0.000 1.085 305 I CA 2.007 63.267 61.300 -0.066 0.000 1.347 305 I CB -1.905 36.079 38.000 -0.027 0.000 1.044 305 I HN 0.896 nan 8.210 nan 0.000 0.408 306 A N 0.531 123.316 122.820 -0.059 0.000 1.940 306 A HA -0.229 4.090 4.320 -0.001 0.000 0.219 306 A C 2.240 179.779 177.584 -0.074 0.000 1.176 306 A CA 1.800 53.807 52.037 -0.049 0.000 0.631 306 A CB -0.612 18.366 19.000 -0.035 0.000 0.814 306 A HN 0.496 nan 8.150 nan 0.000 0.446 307 E N -0.579 119.557 120.200 -0.106 0.000 2.072 307 E HA -0.095 4.255 4.350 -0.001 0.000 0.191 307 E C 1.994 178.449 176.600 -0.240 0.000 0.985 307 E CA 1.189 57.499 56.400 -0.151 0.000 0.801 307 E CB -0.217 29.389 29.700 -0.156 0.000 0.750 307 E HN 0.387 nan 8.360 nan 0.000 0.452 308 V N 1.505 121.233 119.914 -0.310 0.000 2.295 308 V HA -0.269 3.850 4.120 -0.001 0.000 0.246 308 V C 2.072 177.957 176.094 -0.349 0.000 1.049 308 V CA 1.760 63.779 62.300 -0.469 0.000 1.024 308 V CB -0.367 31.157 31.823 -0.499 0.000 0.648 308 V HN 0.177 nan 8.190 nan 0.000 0.447 309 K N -0.202 120.107 120.400 -0.151 0.000 2.097 309 K HA -0.241 4.079 4.320 -0.001 0.000 0.206 309 K C 2.231 178.849 176.600 0.029 0.000 1.049 309 K CA 1.777 58.059 56.287 -0.008 0.000 0.933 309 K CB -0.139 32.371 32.500 0.016 0.000 0.717 309 K HN 0.590 nan 8.250 nan 0.000 0.442 310 E N 0.730 120.922 120.200 -0.013 0.000 2.072 310 E HA -0.222 4.127 4.350 -0.001 0.000 0.191 310 E C 2.130 178.758 176.600 0.047 0.000 0.985 310 E CA 0.979 57.387 56.400 0.013 0.000 0.801 310 E CB 0.115 29.809 29.700 -0.010 0.000 0.750 310 E HN -0.001 nan 8.360 nan 0.000 0.452 311 R N -0.079 120.443 120.500 0.036 0.000 2.066 311 R HA -0.098 4.241 4.340 -0.001 0.000 0.232 311 R C 2.031 178.494 176.300 0.273 0.000 1.131 311 R CA 1.469 57.644 56.100 0.126 0.000 0.955 311 R CB -0.763 29.626 30.300 0.149 0.000 0.851 311 R HN 0.215 nan 8.270 nan 0.000 0.432 312 F N 0.520 120.502 119.950 0.054 0.000 2.216 312 F HA 0.022 4.549 4.527 -0.001 0.000 0.300 312 F C 2.270 178.078 175.800 0.013 0.000 1.085 312 F CA 0.762 58.780 58.000 0.029 0.000 1.326 312 F CB -1.272 37.752 39.000 0.040 0.000 1.027 312 F HN 0.200 nan 8.300 nan 0.000 0.497 313 A N -0.036 122.904 122.820 0.200 0.000 1.898 313 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 313 A C 2.167 179.796 177.584 0.074 0.000 1.181 313 A CA 1.594 53.695 52.037 0.106 0.000 0.620 313 A CB -0.763 18.284 19.000 0.078 0.000 0.819 313 A HN 0.392 nan 8.150 nan 0.000 0.442 314 E N -0.128 120.120 120.200 0.081 0.000 2.085 314 E HA -0.145 4.205 4.350 -0.001 0.000 0.194 314 E C 1.535 178.161 176.600 0.043 0.000 0.994 314 E CA 1.272 57.706 56.400 0.056 0.000 0.801 314 E CB -0.268 29.468 29.700 0.061 0.000 0.743 314 E HN 0.633 nan 8.360 nan 0.000 0.453 315 L N 0.673 121.931 121.223 0.058 0.000 2.591 315 L HA 0.074 4.413 4.340 -0.001 0.000 0.228 315 L C 0.012 176.859 176.870 -0.037 0.000 1.133 315 L CA -0.179 54.664 54.840 0.005 0.000 0.880 315 L CB -0.306 41.751 42.059 -0.004 0.000 1.033 315 L HN 0.118 nan 8.230 nan 0.000 0.450 316 N N 0.877 119.568 118.700 -0.015 0.000 2.735 316 N HA -0.184 4.556 4.740 -0.001 0.000 0.248 316 N C -0.254 175.204 175.510 -0.086 0.000 1.083 316 N CA 0.832 53.861 53.050 -0.035 0.000 0.703 316 N CB -1.431 37.033 38.487 -0.038 0.000 1.005 316 N HN 0.358 nan 8.380 nan 0.000 0.550 317 I N 0.748 121.238 120.570 -0.133 0.000 2.304 317 I HA 0.317 4.487 4.170 -0.001 0.000 0.291 317 I C 1.016 177.043 176.117 -0.149 0.000 1.018 317 I CA -0.578 60.556 61.300 -0.277 0.000 1.260 317 I CB 1.279 38.839 38.000 -0.734 0.000 1.390 317 I HN 0.150 nan 8.210 nan 0.000 0.475 318 A N 6.668 129.425 122.820 -0.105 0.000 2.524 318 A HA 0.390 4.709 4.320 -0.001 0.000 0.250 318 A C 0.035 177.638 177.584 0.032 0.000 1.078 318 A CA -0.117 51.907 52.037 -0.021 0.000 0.761 318 A CB -0.236 18.750 19.000 -0.023 0.000 1.012 318 A HN 0.992 nan 8.150 nan 0.000 0.500 319 C N -0.066 119.298 119.300 0.107 0.000 3.312 319 C HA 0.960 5.420 4.460 -0.001 0.000 0.332 319 C C -0.404 174.671 174.990 0.142 0.000 1.340 319 C CA -0.103 59.021 59.018 0.175 0.000 1.265 319 C CB 0.945 28.902 27.740 0.360 0.000 1.563 319 C HN 2.287 nan 8.230 nan 0.000 0.471 320 A N 1.278 124.183 122.820 0.142 0.000 2.566 320 A HA 0.738 5.058 4.320 -0.001 0.000 0.297 320 A C -0.946 176.707 177.584 0.115 0.000 1.059 320 A CA -0.449 51.656 52.037 0.113 0.000 0.691 320 A CB 1.129 20.186 19.000 0.095 0.000 1.282 320 A HN 1.232 nan 8.150 nan 0.000 0.401 321 K N 1.344 121.801 120.400 0.094 0.000 2.448 321 K HA 0.316 4.636 4.320 -0.001 0.000 0.278 321 K C -0.403 176.257 176.600 0.099 0.000 1.009 321 K CA -0.113 56.230 56.287 0.093 0.000 0.995 321 K CB 0.369 32.909 32.500 0.066 0.000 0.917 321 K HN 0.451 nan 8.250 nan 0.000 0.481 322 V N 7.010 126.996 119.914 0.120 0.000 2.403 322 V HA 0.029 4.149 4.120 -0.001 0.000 0.265 322 V C 0.397 176.541 176.094 0.083 0.000 1.034 322 V CA -0.082 62.278 62.300 0.101 0.000 1.036 322 V CB -0.230 31.660 31.823 0.110 0.000 1.032 322 V HN 0.616 nan 8.190 nan 0.000 0.478 323 L N 5.477 126.734 121.223 0.057 0.000 2.380 323 L HA 0.342 4.681 4.340 -0.001 0.000 0.273 323 L C 1.038 177.920 176.870 0.020 0.000 1.138 323 L CA -0.162 54.697 54.840 0.032 0.000 0.832 323 L CB 0.953 43.019 42.059 0.013 0.000 1.124 323 L HN 0.724 nan 8.230 nan 0.000 0.454 324 T N -1.000 113.561 114.554 0.012 0.000 2.899 324 T HA 0.229 4.579 4.350 -0.001 0.000 0.284 324 T C 1.292 175.978 174.700 -0.024 0.000 1.004 324 T CA -0.934 61.168 62.100 0.003 0.000 1.043 324 T CB 1.741 70.616 68.868 0.012 0.000 1.013 324 T HN 0.252 nan 8.240 nan 0.000 0.518 325 V N 2.399 122.300 119.914 -0.021 0.000 2.324 325 V HA -0.086 4.034 4.120 -0.001 0.000 0.250 325 V C -0.434 175.627 176.094 -0.055 0.000 1.060 325 V CA 1.761 64.040 62.300 -0.034 0.000 1.042 325 V CB -1.654 30.160 31.823 -0.014 0.000 0.650 325 V HN 0.810 nan 8.190 nan 0.000 0.450 326 P HA -0.114 nan 4.420 nan 0.000 0.225 326 P C 1.240 178.499 177.300 -0.068 0.000 1.148 326 P CA 1.086 64.159 63.100 -0.046 0.000 0.779 326 P CB -0.038 31.646 31.700 -0.027 0.000 0.780 327 E N -1.231 118.920 120.200 -0.082 0.000 2.474 327 E HA 0.068 4.417 4.350 -0.001 0.000 0.194 327 E C 1.637 178.122 176.600 -0.193 0.000 1.041 327 E CA 0.038 56.379 56.400 -0.099 0.000 0.874 327 E CB -0.235 29.426 29.700 -0.065 0.000 0.914 327 E HN 0.281 nan 8.360 nan 0.000 0.498 328 L N 0.650 121.701 121.223 -0.286 0.000 2.044 328 L HA -0.114 4.226 4.340 -0.001 0.000 0.205 328 L C 2.191 178.706 176.870 -0.592 0.000 1.075 328 L CA 1.205 55.660 54.840 -0.641 0.000 0.747 328 L CB -0.339 41.318 42.059 -0.670 0.000 0.903 328 L HN 0.113 nan 8.230 nan 0.000 0.435 329 E N 0.222 120.255 120.200 -0.277 0.000 2.153 329 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 329 E C 2.073 178.633 176.600 -0.065 0.000 0.988 329 E CA 1.510 57.835 56.400 -0.126 0.000 0.811 329 E CB 0.054 29.718 29.700 -0.060 0.000 0.746 329 E HN 0.486 nan 8.360 nan 0.000 0.466 330 S N 0.349 116.002 115.700 -0.079 0.000 2.556 330 S HA 0.004 4.473 4.470 -0.001 0.000 0.216 330 S C 0.650 175.241 174.600 -0.015 0.000 0.970 330 S CA -0.488 57.694 58.200 -0.030 0.000 0.912 330 S CB -0.085 63.099 63.200 -0.027 0.000 0.790 330 S HN 0.088 nan 8.310 nan 0.000 0.504 331 N N 2.931 121.604 118.700 -0.045 0.000 2.454 331 N HA 0.096 4.836 4.740 -0.001 0.000 0.260 331 N C -1.939 173.639 175.510 0.112 0.000 1.218 331 N CA -1.078 51.989 53.050 0.028 0.000 0.904 331 N CB 1.208 39.711 38.487 0.027 0.000 1.065 331 N HN -0.014 nan 8.380 nan 0.000 0.462 332 P HA -0.157 nan 4.420 nan 0.000 0.216 332 P C 1.101 178.462 177.300 0.101 0.000 1.150 332 P CA 1.304 64.453 63.100 0.081 0.000 0.843 332 P CB 0.289 32.023 31.700 0.056 0.000 0.787 333 Q N -1.498 118.377 119.800 0.126 0.000 2.079 333 Q HA -0.182 4.158 4.340 -0.001 0.000 0.200 333 Q C 1.917 177.965 176.000 0.081 0.000 0.974 333 Q CA 1.705 57.557 55.803 0.082 0.000 0.840 333 Q CB -1.117 27.650 28.738 0.049 0.000 0.898 333 Q HN 0.227 nan 8.270 nan 0.000 0.430 334 Y N -0.904 119.405 120.300 0.016 0.000 2.128 334 Y HA -0.244 4.305 4.550 -0.001 0.000 0.284 334 Y C 2.253 178.166 175.900 0.021 0.000 1.154 334 Y CA 1.456 59.568 58.100 0.019 0.000 1.149 334 Y CB -0.576 37.897 38.460 0.021 0.000 0.976 334 Y HN -0.026 nan 8.280 nan 0.000 0.505 335 V N -0.376 119.650 119.914 0.187 0.000 2.295 335 V HA -0.342 3.777 4.120 -0.001 0.000 0.246 335 V C 2.507 178.645 176.094 0.073 0.000 1.049 335 V CA 1.792 64.158 62.300 0.109 0.000 1.024 335 V CB -1.428 30.443 31.823 0.079 0.000 0.648 335 V HN 0.469 nan 8.190 nan 0.000 0.447 336 A N -0.193 122.663 122.820 0.059 0.000 1.940 336 A HA -0.205 4.114 4.320 -0.001 0.000 0.219 336 A C 2.285 179.882 177.584 0.022 0.000 1.176 336 A CA 1.740 53.798 52.037 0.035 0.000 0.631 336 A CB -0.416 18.600 19.000 0.027 0.000 0.814 336 A HN 0.546 nan 8.150 nan 0.000 0.446 337 R N -0.914 119.594 120.500 0.013 0.000 2.334 337 R HA 0.156 4.496 4.340 -0.001 0.000 0.216 337 R C -0.493 175.812 176.300 0.009 0.000 0.905 337 R CA 0.319 56.414 56.100 -0.008 0.000 1.064 337 R CB 0.060 30.328 30.300 -0.053 0.000 1.046 337 R HN 0.602 nan 8.270 nan 0.000 0.508 338 E N -0.132 120.091 120.200 0.039 0.000 2.297 338 E HA -0.231 4.118 4.350 -0.001 0.000 0.228 338 E C 0.301 176.940 176.600 0.065 0.000 1.213 338 E CA 0.374 56.810 56.400 0.061 0.000 0.712 338 E CB -1.119 28.613 29.700 0.053 0.000 1.202 338 E HN 0.212 nan 8.360 nan 0.000 0.376 339 S N -0.557 115.178 115.700 0.058 0.000 2.402 339 S HA -0.019 4.450 4.470 -0.001 0.000 0.229 339 S C 0.979 175.655 174.600 0.126 0.000 1.021 339 S CA 0.702 58.917 58.200 0.026 0.000 0.974 339 S CB 0.206 63.309 63.200 -0.162 0.000 0.800 339 S HN 0.299 nan 8.310 nan 0.000 0.484 340 I N 0.754 121.438 120.570 0.191 0.000 2.406 340 I HA 0.383 4.553 4.170 -0.001 0.000 0.290 340 I C 0.076 176.290 176.117 0.161 0.000 0.999 340 I CA -0.209 61.207 61.300 0.193 0.000 1.124 340 I CB 2.173 40.292 38.000 0.199 0.000 1.289 340 I HN -0.041 nan 8.210 nan 0.000 0.441 341 T N 4.306 118.978 114.554 0.195 0.000 2.693 341 T HA 0.546 4.896 4.350 -0.001 0.000 0.278 341 T C -1.304 173.527 174.700 0.218 0.000 0.994 341 T CA -0.419 61.795 62.100 0.191 0.000 1.033 341 T CB 1.812 70.796 68.868 0.193 0.000 1.342 341 T HN 0.609 nan 8.240 nan 0.000 0.538 342 Q N -0.246 119.679 119.800 0.207 0.000 2.423 342 Q HA 0.652 4.992 4.340 -0.001 0.000 0.278 342 Q C -1.738 174.425 176.000 0.272 0.000 1.097 342 Q CA -0.874 54.986 55.803 0.095 0.000 0.809 342 Q CB 2.593 31.323 28.738 -0.013 0.000 1.391 342 Q HN 0.735 nan 8.270 nan 0.000 0.428 343 W N -0.490 120.809 121.300 -0.002 0.000 2.988 343 W HA 0.502 5.161 4.660 -0.001 0.000 0.355 343 W C -1.586 174.926 176.519 -0.012 0.000 1.233 343 W CA -0.863 56.476 57.345 -0.011 0.000 1.176 343 W CB 0.746 30.191 29.460 -0.026 0.000 1.477 343 W HN 0.221 nan 8.180 nan 0.000 0.582 344 Q N 2.296 122.197 119.800 0.170 0.000 2.257 344 Q HA 0.286 4.626 4.340 -0.001 0.000 0.255 344 Q C 0.621 176.699 176.000 0.131 0.000 0.920 344 Q CA -0.265 55.571 55.803 0.055 0.000 0.927 344 Q CB 1.610 30.389 28.738 0.069 0.000 1.229 344 Q HN 0.621 nan 8.270 nan 0.000 0.433 348 G N 0.746 109.556 108.800 0.016 0.000 2.147 348 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.244 348 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.244 348 G C 0.049 174.944 174.900 -0.009 0.000 1.005 348 G CA 0.197 45.302 45.100 0.009 0.000 0.713 348 G HN 0.553 nan 8.290 nan 0.000 0.515 349 R N -0.121 120.364 120.500 -0.025 0.000 2.536 349 R HA 0.554 4.894 4.340 -0.001 0.000 0.279 349 R C 0.034 176.275 176.300 -0.098 0.000 1.001 349 R CA -0.415 55.654 56.100 -0.051 0.000 1.027 349 R CB 0.897 31.166 30.300 -0.051 0.000 1.096 349 R HN 0.132 nan 8.270 nan 0.000 0.502 350 T N 1.453 115.937 114.554 -0.116 0.000 2.814 350 T HA 0.107 4.457 4.350 -0.001 0.000 0.297 350 T C -0.433 174.092 174.700 -0.291 0.000 0.956 350 T CA -0.006 61.987 62.100 -0.179 0.000 1.123 350 T CB 0.350 69.145 68.868 -0.122 0.000 0.902 350 T HN 0.469 nan 8.240 nan 0.000 0.528 351 C N 4.959 123.933 119.300 -0.544 0.000 2.455 351 C HA 0.672 5.131 4.460 -0.001 0.000 0.320 351 C C -0.055 174.373 174.990 -0.936 0.000 1.226 351 C CA -0.959 57.594 59.018 -0.775 0.000 1.569 351 C CB 0.484 27.535 27.740 -1.148 0.000 2.200 351 C HN 0.984 nan 8.230 nan 0.000 0.491 352 K N 3.520 123.580 120.400 -0.567 0.000 2.164 352 K HA 0.774 5.093 4.320 -0.001 0.000 0.258 352 K C 0.002 176.498 176.600 -0.173 0.000 0.951 352 K CA 0.059 56.154 56.287 -0.321 0.000 0.844 352 K CB 1.484 33.902 32.500 -0.137 0.000 1.099 352 K HN 1.093 nan 8.250 nan 0.000 0.435 353 G N 2.650 111.527 108.800 0.128 0.000 2.313 353 G HA2 0.183 4.143 3.960 -0.001 0.000 0.296 353 G HA3 0.183 4.143 3.960 -0.001 0.000 0.296 353 G C -3.201 171.930 174.900 0.386 0.000 1.356 353 G CA -1.048 44.248 45.100 0.327 0.000 0.833 353 G HN 0.390 nan 8.290 nan 0.000 0.552 354 P HA 0.121 nan 4.420 nan 0.000 0.266 354 P C 0.028 177.419 177.300 0.152 0.000 1.195 354 P CA -0.257 62.957 63.100 0.191 0.000 0.768 354 P CB 0.552 32.334 31.700 0.137 0.000 0.838 355 N N 2.072 120.842 118.700 0.117 0.000 2.294 355 N HA 0.101 4.840 4.740 -0.001 0.000 0.248 355 N C 0.462 175.997 175.510 0.042 0.000 1.300 355 N CA -0.227 52.865 53.050 0.071 0.000 0.925 355 N CB 0.134 38.665 38.487 0.072 0.000 1.188 355 N HN 0.124 nan 8.380 nan 0.000 0.512 359 K N 0.398 120.604 120.400 -0.324 0.000 2.268 359 K HA 0.483 4.802 4.320 -0.001 0.000 0.276 359 K C -0.730 175.687 176.600 -0.305 0.000 1.080 359 K CA -0.233 55.929 56.287 -0.207 0.000 0.910 359 K CB 0.350 32.787 32.500 -0.104 0.000 1.163 359 K HN 0.176 nan 8.250 nan 0.000 0.465 360 F N 2.552 122.430 119.950 -0.121 0.000 2.438 360 F HA 0.120 4.646 4.527 -0.001 0.000 0.356 360 F C 1.755 177.513 175.800 -0.069 0.000 1.099 360 F CA -0.184 57.737 58.000 -0.131 0.000 1.185 360 F CB 0.998 39.897 39.000 -0.168 0.000 1.115 360 F HN 0.479 nan 8.300 nan 0.000 0.526 361 K N 1.938 122.393 120.400 0.091 0.000 2.007 361 K HA -0.127 4.192 4.320 -0.001 0.000 0.206 361 K C 1.521 178.157 176.600 0.060 0.000 1.047 361 K CA 1.308 57.624 56.287 0.048 0.000 0.937 361 K CB 0.063 32.573 32.500 0.017 0.000 0.718 361 K HN 0.537 nan 8.250 nan 0.000 0.438 362 N N 0.923 119.660 118.700 0.061 0.000 2.207 362 N HA -0.076 4.663 4.740 -0.001 0.000 0.182 362 N C -0.121 175.414 175.510 0.042 0.000 1.020 362 N CA 1.058 54.132 53.050 0.040 0.000 0.858 362 N CB -0.057 38.443 38.487 0.023 0.000 0.991 362 N HN 0.231 nan 8.380 nan 0.000 0.427 363 N N 0.913 119.641 118.700 0.046 0.000 2.813 363 N HA 0.224 4.964 4.740 -0.001 0.000 0.282 363 N C -2.816 172.736 175.510 0.071 0.000 1.748 363 N CA -0.973 52.090 53.050 0.022 0.000 0.860 363 N CB 1.901 40.342 38.487 -0.077 0.000 1.204 363 N HN 0.130 nan 8.380 nan 0.000 0.490 364 P HA 0.055 nan 4.420 nan 0.000 0.269 364 P C 0.651 178.123 177.300 0.286 0.000 1.209 364 P CA 0.116 63.346 63.100 0.218 0.000 0.776 364 P CB 0.790 32.575 31.700 0.142 0.000 0.876 365 G N 2.107 111.127 108.800 0.366 0.000 2.684 365 G HA2 0.422 4.381 3.960 -0.001 0.000 0.255 365 G HA3 0.422 4.381 3.960 -0.001 0.000 0.255 365 G C -0.427 174.555 174.900 0.137 0.000 1.219 365 G CA -0.346 45.044 45.100 0.485 0.000 0.901 365 G HN 0.733 nan 8.290 nan 0.000 0.548 366 Q N -1.715 117.991 119.800 -0.156 0.000 2.534 366 Q HA 0.518 4.857 4.340 -0.001 0.000 0.290 366 Q C -1.546 174.310 176.000 -0.240 0.000 0.991 366 Q CA -0.989 54.637 55.803 -0.296 0.000 0.783 366 Q CB 1.487 29.916 28.738 -0.515 0.000 1.470 366 Q HN 0.389 nan 8.270 nan 0.000 0.406 367 I N 2.819 123.279 120.570 -0.183 0.000 2.297 367 I HA 0.198 4.367 4.170 -0.001 0.000 0.291 367 I C 0.414 176.461 176.117 -0.117 0.000 1.033 367 I CA -0.472 60.690 61.300 -0.230 0.000 1.253 367 I CB 0.345 38.126 38.000 -0.366 0.000 1.396 367 I HN 0.727 nan 8.210 nan 0.000 0.476 368 W N 6.050 127.235 121.300 -0.192 0.000 2.993 368 W HA 0.398 5.058 4.660 -0.001 0.000 0.290 368 W C 0.132 176.628 176.519 -0.038 0.000 1.203 368 W CA -0.281 56.997 57.345 -0.111 0.000 1.582 368 W CB 0.417 29.824 29.460 -0.089 0.000 1.033 368 W HN 0.333 nan 8.180 nan 0.000 0.594 369 R N 0.652 120.684 120.500 -0.779 0.000 2.626 369 R HA 0.416 4.755 4.340 -0.001 0.000 0.274 369 R C 0.215 176.234 176.300 -0.469 0.000 1.031 369 R CA -0.210 55.465 56.100 -0.709 0.000 0.898 369 R CB 1.981 31.422 30.300 -1.432 0.000 1.222 369 R HN 0.001 nan 8.270 nan 0.000 0.455 373 S N -1.065 114.669 115.700 0.055 0.000 2.645 373 S HA 0.250 4.719 4.470 -0.001 0.000 0.266 373 S C 0.318 174.912 174.600 -0.011 0.000 1.258 373 S CA -0.539 57.682 58.200 0.036 0.000 0.990 373 S CB 0.358 63.580 63.200 0.037 0.000 0.967 373 S HN 0.699 nan 8.310 nan 0.000 0.556 374 H N 0.708 119.693 119.070 -0.142 0.000 3.145 374 H HA 0.388 4.943 4.556 -0.001 0.000 0.288 374 H C 1.224 176.451 175.328 -0.169 0.000 0.969 374 H CA 0.618 56.538 56.048 -0.213 0.000 1.444 374 H CB -0.764 28.908 29.762 -0.150 0.000 1.500 374 H HN 1.170 nan 8.280 nan 0.000 0.552 378 T N 0.957 115.495 114.554 -0.028 0.000 2.665 378 T HA -0.193 4.157 4.350 -0.001 0.000 0.268 378 T C 2.091 176.758 174.700 -0.056 0.000 1.035 378 T CA 2.071 64.135 62.100 -0.060 0.000 1.151 378 T CB 0.001 68.813 68.868 -0.094 0.000 0.862 378 T HN 0.316 nan 8.240 nan 0.000 0.438 379 A N 1.321 124.118 122.820 -0.039 0.000 1.873 379 A HA 0.191 4.510 4.320 -0.001 0.000 0.215 379 A C 2.671 180.250 177.584 -0.009 0.000 1.186 379 A CA 1.862 53.883 52.037 -0.028 0.000 0.616 379 A CB -1.162 17.827 19.000 -0.017 0.000 0.823 379 A HN 0.518 nan 8.150 nan 0.000 0.442 380 A N -0.094 122.729 122.820 0.005 0.000 1.902 380 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 380 A C 2.126 179.710 177.584 -0.000 0.000 1.181 380 A CA 1.610 53.656 52.037 0.014 0.000 0.623 380 A CB -0.629 18.392 19.000 0.036 0.000 0.818 380 A HN 0.494 nan 8.150 nan 0.000 0.443 381 I N -0.329 120.233 120.570 -0.014 0.000 2.179 381 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 381 I C 2.397 178.501 176.117 -0.020 0.000 1.088 381 I CA 1.206 62.487 61.300 -0.031 0.000 1.357 381 I CB -0.309 37.667 38.000 -0.040 0.000 1.051 381 I HN 0.290 nan 8.210 nan 0.000 0.409 382 L N 0.440 121.639 121.223 -0.040 0.000 2.083 382 L HA -0.236 4.103 4.340 -0.001 0.000 0.209 382 L C 2.614 179.552 176.870 0.113 0.000 1.083 382 L CA 1.402 56.222 54.840 -0.034 0.000 0.752 382 L CB -0.630 41.312 42.059 -0.196 0.000 0.899 382 L HN 0.249 nan 8.230 nan 0.000 0.433 383 K N 0.803 121.243 120.400 0.066 0.000 2.057 383 K HA -0.259 4.060 4.320 -0.001 0.000 0.207 383 K C 1.901 178.535 176.600 0.057 0.000 1.049 383 K CA 2.032 58.362 56.287 0.072 0.000 0.931 383 K CB -0.109 32.415 32.500 0.040 0.000 0.714 383 K HN 0.158 nan 8.250 nan 0.000 0.440 384 N N 0.985 119.705 118.700 0.032 0.000 2.205 384 N HA -0.162 4.577 4.740 -0.001 0.000 0.186 384 N C 1.497 177.020 175.510 0.022 0.000 1.015 384 N CA 1.583 54.641 53.050 0.013 0.000 0.862 384 N CB -0.140 38.339 38.487 -0.014 0.000 0.986 384 N HN 0.484 nan 8.380 nan 0.000 0.429 385 I N -4.678 115.927 120.570 0.059 0.000 3.891 385 I HA 0.482 4.651 4.170 -0.001 0.000 0.331 385 I C 0.821 176.983 176.117 0.074 0.000 1.406 385 I CA 0.221 61.562 61.300 0.068 0.000 1.139 385 I CB -0.010 38.038 38.000 0.081 0.000 1.056 385 I HN 0.108 nan 8.210 nan 0.000 0.399 386 G N 0.653 109.488 108.800 0.058 0.000 2.163 386 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.213 386 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.213 386 G C -0.215 174.625 174.900 -0.100 0.000 0.991 386 G CA -0.408 44.670 45.100 -0.035 0.000 0.653 386 G HN 0.478 nan 8.290 nan 0.000 0.518 387 Y N 2.278 122.567 120.300 -0.020 0.000 2.319 387 Y HA 0.479 5.029 4.550 -0.001 0.000 0.328 387 Y C 1.416 177.307 175.900 -0.015 0.000 1.133 387 Y CA 0.290 58.379 58.100 -0.017 0.000 1.265 387 Y CB 1.153 39.601 38.460 -0.020 0.000 1.218 387 Y HN 0.361 nan 8.280 nan 0.000 0.508 388 S N 1.024 116.783 115.700 0.098 0.000 2.645 388 S HA 0.097 4.567 4.470 -0.001 0.000 0.266 388 S C 1.118 175.763 174.600 0.074 0.000 1.258 388 S CA -0.560 57.676 58.200 0.060 0.000 0.990 388 S CB 1.268 64.483 63.200 0.025 0.000 0.967 388 S HN 0.870 nan 8.310 nan 0.000 0.556 389 E N 0.758 120.984 120.200 0.043 0.000 2.085 389 E HA -0.255 4.095 4.350 -0.001 0.000 0.194 389 E C 1.847 178.465 176.600 0.030 0.000 0.994 389 E CA 1.528 57.947 56.400 0.032 0.000 0.801 389 E CB -0.258 29.453 29.700 0.019 0.000 0.743 389 E HN 0.789 nan 8.360 nan 0.000 0.453 390 N N 0.591 119.309 118.700 0.030 0.000 2.142 390 N HA -0.165 4.575 4.740 -0.001 0.000 0.186 390 N C 1.374 176.909 175.510 0.041 0.000 1.023 390 N CA 1.750 54.816 53.050 0.026 0.000 0.852 390 N CB -0.062 38.437 38.487 0.019 0.000 0.998 390 N HN 0.116 nan 8.380 nan 0.000 0.424 391 D N 0.119 120.562 120.400 0.071 0.000 2.133 391 D HA -0.146 4.494 4.640 -0.001 0.000 0.195 391 D C 1.921 178.277 176.300 0.093 0.000 0.997 391 D CA 0.995 55.069 54.000 0.124 0.000 0.840 391 D CB -0.201 40.754 40.800 0.259 0.000 0.947 391 D HN 0.448 nan 8.370 nan 0.000 0.452 392 I N 0.595 121.203 120.570 0.063 0.000 2.286 392 I HA -0.219 3.951 4.170 -0.001 0.000 0.245 392 I C 2.558 178.664 176.117 -0.019 0.000 1.104 392 I CA 0.792 62.088 61.300 -0.006 0.000 1.397 392 I CB -0.189 37.804 38.000 -0.011 0.000 1.072 392 I HN -0.057 nan 8.210 nan 0.000 0.417 393 Q N 0.533 120.330 119.800 -0.004 0.000 2.135 393 Q HA -0.244 4.095 4.340 -0.001 0.000 0.204 393 Q C 2.100 178.093 176.000 -0.012 0.000 0.981 393 Q CA 1.578 57.374 55.803 -0.011 0.000 0.856 393 Q CB -0.053 28.683 28.738 -0.004 0.000 0.902 393 Q HN 0.551 nan 8.270 nan 0.000 0.425 394 E N 0.337 120.537 120.200 0.001 0.000 2.072 394 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 394 E C 2.120 178.716 176.600 -0.008 0.000 0.985 394 E CA 0.612 57.014 56.400 0.003 0.000 0.801 394 E CB -0.043 29.668 29.700 0.019 0.000 0.750 394 E HN 0.306 nan 8.360 nan 0.000 0.452 395 L N 0.589 121.802 121.223 -0.016 0.000 2.012 395 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 395 L C 2.494 179.333 176.870 -0.051 0.000 1.073 395 L CA 0.944 55.759 54.840 -0.042 0.000 0.748 395 L CB -0.356 41.651 42.059 -0.088 0.000 0.891 395 L HN 0.052 nan 8.230 nan 0.000 0.431 396 V N -1.258 118.624 119.914 -0.054 0.000 2.295 396 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 396 V C 2.516 178.582 176.094 -0.047 0.000 1.049 396 V CA 2.062 64.326 62.300 -0.060 0.000 1.024 396 V CB -0.371 31.415 31.823 -0.061 0.000 0.648 396 V HN 0.381 nan 8.190 nan 0.000 0.447 397 S N -0.757 114.923 115.700 -0.034 0.000 2.399 397 S HA -0.191 4.279 4.470 -0.001 0.000 0.231 397 S C 1.902 176.487 174.600 -0.024 0.000 1.022 397 S CA 1.296 59.480 58.200 -0.027 0.000 0.983 397 S CB -0.250 62.939 63.200 -0.019 0.000 0.803 397 S HN 0.580 nan 8.310 nan 0.000 0.480 398 K N 0.065 120.452 120.400 -0.023 0.000 2.366 398 K HA 0.105 4.424 4.320 -0.001 0.000 0.198 398 K C 1.277 177.863 176.600 -0.022 0.000 1.044 398 K CA 0.546 56.822 56.287 -0.018 0.000 0.973 398 K CB -0.003 32.490 32.500 -0.012 0.000 0.767 398 K HN 0.428 nan 8.250 nan 0.000 0.475 399 G N 0.940 109.720 108.800 -0.033 0.000 2.132 399 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.234 399 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.234 399 G C 0.497 175.375 174.900 -0.036 0.000 0.989 399 G CA -0.086 44.992 45.100 -0.037 0.000 0.676 399 G HN 0.227 nan 8.290 nan 0.000 0.522 400 L N -0.443 120.755 121.223 -0.043 0.000 2.585 400 L HA 0.635 4.974 4.340 -0.001 0.000 0.226 400 L C 1.250 178.076 176.870 -0.074 0.000 1.113 400 L CA 0.856 55.667 54.840 -0.048 0.000 0.876 400 L CB 0.247 42.281 42.059 -0.042 0.000 1.072 400 L HN 0.605 nan 8.230 nan 0.000 0.468 401 A N 0.152 122.920 122.820 -0.086 0.000 2.606 401 A HA 0.612 4.932 4.320 -0.001 0.000 0.293 401 A C -1.281 176.228 177.584 -0.125 0.000 1.082 401 A CA -0.568 51.402 52.037 -0.112 0.000 0.685 401 A CB 1.891 20.813 19.000 -0.129 0.000 1.284 401 A HN -0.046 nan 8.150 nan 0.000 0.408 402 K N 1.183 121.485 120.400 -0.162 0.000 2.426 402 K HA 0.656 4.976 4.320 -0.001 0.000 0.254 402 K C -0.601 175.882 176.600 -0.194 0.000 0.936 402 K CA -0.529 55.633 56.287 -0.207 0.000 0.801 402 K CB 1.795 34.090 32.500 -0.343 0.000 1.139 402 K HN 1.000 nan 8.250 nan 0.000 0.424 403 V N 0.000 119.823 119.914 -0.151 0.000 2.409 403 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 403 V CA 0.000 62.230 62.300 -0.116 0.000 1.235 403 V CB 0.000 31.776 31.823 -0.079 0.000 1.184 403 V HN 0.000 nan 8.190 nan 0.000 0.556