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 1gl3_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMQR MVEERDFDAI RPVFFSTSQL GQAAPSFGGT DATA SEQUENCE TGTLQDAFDL EALKALDIIV TCQGGDYTNE IYPKLRESGW QGYWIDAASS DATA SEQUENCE LRMKDDAIII LDPVNQDVIT DGLNNGIRTF VGGNCTVSLM LMSLGGLFAN DATA SEQUENCE DLVDWVSVAT YQAASGGGAR HMRELLTQMG HLYGHVADEL ATPSSAILDI DATA SEQUENCE ERKVTTLTRS GELPVDNFGV PLAGSLIPWI DKQLDNGQSR EEWKGQAETN DATA SEQUENCE KILNTSSVIP VDGLCVRVGA LRCHSQAFTI KLKKDVSIPT VEELLAAHNP DATA SEQUENCE WAKVVPNDRE ITMRELTPAA VTGTLTTPVG RLRKLNMGPE FLSAFTVGDQ DATA SEQUENCE LLWGAAEPLR RMLRQLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.329 176.300 0.049 0.000 1.140 1 M CA 0.000 55.327 55.300 0.045 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 K N 1.781 122.212 120.400 0.052 0.000 2.118 2 K HA 0.463 4.784 4.320 0.002 0.000 0.267 2 K C -0.050 176.585 176.600 0.058 0.000 0.991 2 K CA -0.564 55.757 56.287 0.057 0.000 0.916 2 K CB 1.313 33.848 32.500 0.059 0.000 1.041 2 K HN 0.592 nan 8.250 nan 0.000 0.455 3 N N 1.324 120.062 118.700 0.064 0.000 2.439 3 N HA 0.120 4.861 4.740 0.002 0.000 0.243 3 N C -1.046 174.484 175.510 0.033 0.000 1.088 3 N CA -0.445 52.642 53.050 0.062 0.000 0.940 3 N CB 0.870 39.407 38.487 0.084 0.000 1.180 3 N HN 0.082 nan 8.380 nan 0.000 0.505 4 V N 1.594 121.486 119.914 -0.038 0.000 2.350 4 V HA 0.470 4.591 4.120 0.002 0.000 0.276 4 V C 0.907 176.744 176.094 -0.428 0.000 1.028 4 V CA -0.838 61.327 62.300 -0.225 0.000 0.860 4 V CB 1.259 32.903 31.823 -0.299 0.000 0.990 4 V HN 0.682 nan 8.190 nan 0.000 0.453 5 G N 3.656 112.225 108.800 -0.384 0.000 2.377 5 G HA2 0.616 4.577 3.960 0.002 0.000 0.299 5 G HA3 0.616 4.577 3.960 0.002 0.000 0.299 5 G C -1.078 173.468 174.900 -0.591 0.000 1.150 5 G CA -0.281 44.657 45.100 -0.271 0.000 0.847 5 G HN 0.485 nan 8.290 nan 0.000 0.501 6 F N 1.417 121.390 119.950 0.038 0.000 2.427 6 F HA 0.485 5.013 4.527 0.002 0.000 0.348 6 F C 0.279 176.236 175.800 0.261 0.000 1.125 6 F CA -0.585 57.448 58.000 0.056 0.000 0.989 6 F CB 1.877 40.867 39.000 -0.017 0.000 1.165 6 F HN 0.141 nan 8.300 nan 0.000 0.442 7 I N 1.800 122.477 120.570 0.178 0.000 2.603 7 I HA 0.567 4.738 4.170 0.002 0.000 0.300 7 I C 0.761 176.858 176.117 -0.034 0.000 1.017 7 I CA -0.919 60.383 61.300 0.004 0.000 1.098 7 I CB 1.875 39.597 38.000 -0.463 0.000 1.279 7 I HN 0.772 nan 8.210 nan 0.000 0.437 8 G N 4.491 113.192 108.800 -0.166 0.000 2.295 8 G HA2 -0.214 3.747 3.960 0.002 0.000 0.287 8 G HA3 -0.214 3.747 3.960 0.002 0.000 0.287 8 G C 0.435 175.269 174.900 -0.109 0.000 1.055 8 G CA 0.675 45.644 45.100 -0.219 0.000 0.922 8 G HN 0.956 nan 8.290 nan 0.000 0.503 9 W N -1.023 120.341 121.300 0.107 0.000 3.003 9 W HA 0.229 4.890 4.660 0.001 0.000 0.257 9 W C 1.420 178.017 176.519 0.131 0.000 1.308 9 W CA 0.299 57.736 57.345 0.153 0.000 1.529 9 W CB -0.344 29.303 29.460 0.312 0.000 1.115 9 W HN 0.426 nan 8.180 nan 0.000 0.659 10 R N 1.645 121.668 120.500 -0.795 0.000 2.223 10 R HA 0.154 4.495 4.340 0.002 0.000 0.198 10 R C 1.477 177.626 176.300 -0.251 0.000 0.984 10 R CA 0.794 56.486 56.100 -0.681 0.000 1.018 10 R CB -0.432 29.181 30.300 -1.145 0.000 0.945 10 R HN 0.041 nan 8.270 nan 0.000 0.479 11 G N 0.756 109.430 108.800 -0.211 0.000 2.647 11 G HA2 -0.067 3.894 3.960 0.002 0.000 0.271 11 G HA3 -0.067 3.894 3.960 0.002 0.000 0.271 11 G C 0.587 175.463 174.900 -0.042 0.000 1.300 11 G CA -0.250 44.786 45.100 -0.107 0.000 0.997 11 G HN 0.235 nan 8.290 nan 0.000 0.533 12 M N -0.628 118.957 119.600 -0.026 0.000 2.080 12 M HA -0.127 4.354 4.480 0.002 0.000 0.260 12 M C 2.362 178.656 176.300 -0.010 0.000 1.068 12 M CA 1.725 57.020 55.300 -0.008 0.000 1.109 12 M CB -0.369 32.228 32.600 -0.004 0.000 1.342 12 M HN 0.216 nan 8.290 nan 0.000 0.405 13 V N -0.165 119.737 119.914 -0.019 0.000 2.283 13 V HA -0.111 4.010 4.120 0.002 0.000 0.243 13 V C 2.524 178.613 176.094 -0.007 0.000 1.039 13 V CA 1.944 64.230 62.300 -0.023 0.000 1.016 13 V CB -1.835 29.972 31.823 -0.026 0.000 0.650 13 V HN 0.690 nan 8.190 nan 0.000 0.449 14 G N -0.529 108.280 108.800 0.015 0.000 2.505 14 G HA2 -0.309 3.652 3.960 0.002 0.000 0.220 14 G HA3 -0.309 3.652 3.960 0.002 0.000 0.220 14 G C 1.890 176.850 174.900 0.100 0.000 1.145 14 G CA 1.472 46.621 45.100 0.082 0.000 0.761 14 G HN 0.481 nan 8.290 nan 0.000 0.571 15 S N -0.433 115.318 115.700 0.086 0.000 2.356 15 S HA -0.106 4.365 4.470 0.002 0.000 0.223 15 S C 2.562 177.166 174.600 0.007 0.000 1.032 15 S CA 1.230 59.488 58.200 0.098 0.000 1.005 15 S CB -0.249 63.005 63.200 0.090 0.000 0.867 15 S HN 0.205 nan 8.310 nan 0.000 0.449 16 V N 1.882 121.784 119.914 -0.021 0.000 2.343 16 V HA -0.131 3.990 4.120 0.002 0.000 0.247 16 V C 2.252 178.280 176.094 -0.110 0.000 1.051 16 V CA 1.584 63.846 62.300 -0.063 0.000 1.036 16 V CB -0.670 31.113 31.823 -0.068 0.000 0.654 16 V HN 0.412 nan 8.190 nan 0.000 0.451 17 L N -0.595 120.567 121.223 -0.101 0.000 2.046 17 L HA -0.159 4.182 4.340 0.002 0.000 0.208 17 L C 2.309 179.051 176.870 -0.213 0.000 1.077 17 L CA 2.084 56.841 54.840 -0.139 0.000 0.747 17 L CB -0.532 41.480 42.059 -0.079 0.000 0.896 17 L HN 0.156 nan 8.230 nan 0.000 0.432 18 M N -0.696 118.767 119.600 -0.230 0.000 2.077 18 M HA -0.203 4.278 4.480 0.002 0.000 0.261 18 M C 2.286 178.279 176.300 -0.513 0.000 1.070 18 M CA 1.909 56.912 55.300 -0.495 0.000 1.125 18 M CB -1.434 30.714 32.600 -0.754 0.000 1.339 18 M HN 0.538 nan 8.290 nan 0.000 0.409 19 Q N 0.531 120.133 119.800 -0.331 0.000 2.112 19 Q HA -0.211 4.130 4.340 0.002 0.000 0.206 19 Q C 1.982 177.884 176.000 -0.164 0.000 0.987 19 Q CA 1.492 57.181 55.803 -0.191 0.000 0.858 19 Q CB -0.109 28.576 28.738 -0.087 0.000 0.905 19 Q HN 0.389 nan 8.270 nan 0.000 0.420 20 R N -0.107 120.280 120.500 -0.187 0.000 2.075 20 R HA -0.008 4.333 4.340 0.002 0.000 0.232 20 R C 2.396 178.573 176.300 -0.204 0.000 1.126 20 R CA 1.321 57.310 56.100 -0.184 0.000 0.963 20 R CB -0.548 29.625 30.300 -0.211 0.000 0.858 20 R HN 0.432 nan 8.270 nan 0.000 0.435 21 M N 0.345 119.776 119.600 -0.282 0.000 2.159 21 M HA -0.144 4.337 4.480 0.002 0.000 0.263 21 M C 2.284 178.450 176.300 -0.222 0.000 1.063 21 M CA 1.376 56.447 55.300 -0.382 0.000 1.110 21 M CB -0.293 31.833 32.600 -0.790 0.000 1.374 21 M HN -0.115 nan 8.290 nan 0.000 0.411 22 V N 0.264 120.128 119.914 -0.084 0.000 2.295 22 V HA -0.244 3.877 4.120 0.002 0.000 0.246 22 V C 2.025 178.124 176.094 0.008 0.000 1.049 22 V CA 1.890 64.226 62.300 0.060 0.000 1.024 22 V CB -0.913 30.957 31.823 0.078 0.000 0.648 22 V HN 0.476 nan 8.190 nan 0.000 0.447 23 E N 0.340 120.518 120.200 -0.037 0.000 2.049 23 E HA -0.215 4.136 4.350 0.002 0.000 0.198 23 E C 1.897 178.476 176.600 -0.035 0.000 1.007 23 E CA 1.468 57.848 56.400 -0.033 0.000 0.809 23 E CB -0.149 29.519 29.700 -0.052 0.000 0.749 23 E HN 0.628 nan 8.360 nan 0.000 0.450 24 E N 0.274 120.435 120.200 -0.065 0.000 2.445 24 E HA 0.036 4.388 4.350 0.002 0.000 0.189 24 E C -0.149 176.420 176.600 -0.051 0.000 1.069 24 E CA -0.053 56.311 56.400 -0.060 0.000 0.871 24 E CB 0.132 29.780 29.700 -0.087 0.000 0.991 24 E HN 0.202 nan 8.360 nan 0.000 0.481 25 R N 0.701 121.183 120.500 -0.031 0.000 3.516 25 R HA -0.193 4.148 4.340 0.002 0.000 0.271 25 R C -0.053 176.226 176.300 -0.034 0.000 1.098 25 R CA 0.672 56.775 56.100 0.006 0.000 0.732 25 R CB -1.774 28.538 30.300 0.020 0.000 1.152 25 R HN 0.132 nan 8.270 nan 0.000 0.455 26 D N -0.315 119.995 120.400 -0.151 0.000 2.218 26 D HA -0.098 4.543 4.640 0.002 0.000 0.204 26 D C 1.237 177.395 176.300 -0.236 0.000 0.976 26 D CA 1.138 54.988 54.000 -0.249 0.000 0.853 26 D CB -0.086 40.460 40.800 -0.423 0.000 0.939 26 D HN 0.411 nan 8.370 nan 0.000 0.481 27 F N 0.352 120.306 119.950 0.008 0.000 2.661 27 F HA -0.014 4.514 4.527 0.002 0.000 0.298 27 F C 1.782 177.609 175.800 0.046 0.000 1.137 27 F CA 0.167 58.192 58.000 0.042 0.000 1.454 27 F CB 0.138 39.167 39.000 0.049 0.000 1.103 27 F HN -0.157 nan 8.300 nan 0.000 0.577 28 D N 0.366 120.867 120.400 0.167 0.000 2.178 28 D HA -0.122 4.519 4.640 0.002 0.000 0.202 28 D C 2.180 178.532 176.300 0.085 0.000 0.974 28 D CA 1.203 55.270 54.000 0.112 0.000 0.841 28 D CB -0.179 40.663 40.800 0.071 0.000 0.953 28 D HN 0.256 nan 8.370 nan 0.000 0.478 29 A N 0.019 122.880 122.820 0.067 0.000 2.147 29 A HA 0.231 4.552 4.320 0.002 0.000 0.211 29 A C 1.179 178.802 177.584 0.066 0.000 1.160 29 A CA -0.052 52.015 52.037 0.050 0.000 0.781 29 A CB -0.236 18.776 19.000 0.021 0.000 0.842 29 A HN 0.319 nan 8.150 nan 0.000 0.475 30 I N -4.570 116.063 120.570 0.104 0.000 3.217 30 I HA 0.602 4.773 4.170 0.002 0.000 0.308 30 I C 0.096 176.303 176.117 0.151 0.000 1.091 30 I CA -1.314 60.059 61.300 0.121 0.000 1.013 30 I CB 1.516 39.602 38.000 0.142 0.000 1.250 30 I HN -0.107 nan 8.210 nan 0.000 0.496 31 R N 2.748 123.325 120.500 0.128 0.000 2.335 31 R HA 0.467 4.808 4.340 0.002 0.000 0.302 31 R C -2.628 173.746 176.300 0.124 0.000 1.147 31 R CA -1.926 54.242 56.100 0.114 0.000 1.111 31 R CB 0.897 31.243 30.300 0.076 0.000 1.122 31 R HN 0.479 nan 8.270 nan 0.000 0.557 32 P HA 0.046 nan 4.420 nan 0.000 0.271 32 P C -0.812 176.473 177.300 -0.024 0.000 1.216 32 P CA -0.064 63.132 63.100 0.160 0.000 0.771 32 P CB 1.494 33.284 31.700 0.149 0.000 0.864 33 V N 3.799 123.635 119.914 -0.129 0.000 2.686 33 V HA 0.407 4.528 4.120 0.002 0.000 0.306 33 V C -0.507 175.464 176.094 -0.205 0.000 1.065 33 V CA -0.415 61.826 62.300 -0.098 0.000 0.894 33 V CB 1.674 33.531 31.823 0.056 0.000 1.004 33 V HN 0.320 nan 8.190 nan 0.000 0.424 34 F N 4.087 124.034 119.950 -0.006 0.000 2.403 34 F HA 0.714 5.242 4.527 0.002 0.000 0.355 34 F C -0.248 175.591 175.800 0.065 0.000 1.119 34 F CA -0.415 57.624 58.000 0.065 0.000 1.007 34 F CB 1.227 40.068 39.000 -0.265 0.000 1.194 34 F HN 0.293 nan 8.300 nan 0.000 0.443 35 F N 1.075 121.259 119.950 0.390 0.000 2.408 35 F HA 0.689 5.217 4.527 0.002 0.000 0.325 35 F C 0.539 176.549 175.800 0.350 0.000 1.082 35 F CA -0.728 57.438 58.000 0.278 0.000 1.032 35 F CB 1.687 40.752 39.000 0.110 0.000 1.259 35 F HN 0.307 nan 8.300 nan 0.000 0.503 36 S N -1.289 114.636 115.700 0.374 0.000 2.607 36 S HA 0.537 5.008 4.470 0.002 0.000 0.273 36 S C 0.104 174.811 174.600 0.178 0.000 1.148 36 S CA -0.095 58.238 58.200 0.222 0.000 0.833 36 S CB 1.439 64.771 63.200 0.220 0.000 1.130 36 S HN 0.763 nan 8.310 nan 0.000 0.470 37 T N -1.358 113.279 114.554 0.139 0.000 3.003 37 T HA 0.240 4.591 4.350 0.002 0.000 0.261 37 T C 0.969 175.813 174.700 0.238 0.000 1.003 37 T CA 0.642 62.914 62.100 0.287 0.000 0.917 37 T CB 0.027 69.074 68.868 0.299 0.000 1.084 37 T HN 0.646 nan 8.240 nan 0.000 0.522 38 S N -0.108 115.674 115.700 0.135 0.000 2.684 38 S HA 0.280 4.751 4.470 0.002 0.000 0.268 38 S C 0.896 175.542 174.600 0.076 0.000 1.075 38 S CA -0.474 57.783 58.200 0.095 0.000 1.184 38 S CB 0.001 63.235 63.200 0.056 0.000 1.129 38 S HN 0.297 nan 8.310 nan 0.000 0.630 39 Q N 1.475 121.326 119.800 0.086 0.000 2.141 39 Q HA 0.462 4.803 4.340 0.002 0.000 0.248 39 Q C -0.549 175.511 176.000 0.100 0.000 0.834 39 Q CA -0.385 55.467 55.803 0.081 0.000 1.096 39 Q CB 1.045 29.828 28.738 0.076 0.000 1.189 39 Q HN 0.560 nan 8.270 nan 0.000 0.471 40 L N -0.092 121.200 121.223 0.116 0.000 2.578 40 L HA 0.139 4.480 4.340 0.002 0.000 0.279 40 L C 1.134 178.050 176.870 0.077 0.000 1.227 40 L CA 2.232 57.142 54.840 0.116 0.000 0.900 40 L CB 0.168 42.311 42.059 0.139 0.000 1.144 40 L HN 0.419 nan 8.230 nan 0.000 0.496 41 G N 2.032 110.868 108.800 0.059 0.000 2.268 41 G HA2 -0.271 3.690 3.960 0.002 0.000 0.240 41 G HA3 -0.271 3.690 3.960 0.002 0.000 0.240 41 G C 0.534 175.448 174.900 0.024 0.000 1.010 41 G CA 0.370 45.490 45.100 0.034 0.000 0.618 41 G HN 0.803 nan 8.290 nan 0.000 0.516 42 Q N 0.473 120.295 119.800 0.037 0.000 2.697 42 Q HA 0.585 4.926 4.340 0.002 0.000 0.196 42 Q C 0.998 177.000 176.000 0.004 0.000 1.121 42 Q CA 0.001 55.818 55.803 0.024 0.000 1.151 42 Q CB 0.367 29.130 28.738 0.041 0.000 1.250 42 Q HN 0.880 nan 8.270 nan 0.000 0.658 43 A N 0.325 123.133 122.820 -0.019 0.000 2.488 43 A HA 0.441 4.762 4.320 0.002 0.000 0.249 43 A C -0.370 177.150 177.584 -0.107 0.000 1.083 43 A CA 0.127 52.124 52.037 -0.066 0.000 0.768 43 A CB -0.034 18.917 19.000 -0.081 0.000 1.017 43 A HN 0.617 nan 8.150 nan 0.000 0.496 44 A N 4.290 127.007 122.820 -0.172 0.000 2.340 44 A HA 0.605 4.926 4.320 0.002 0.000 0.268 44 A C -0.967 176.245 177.584 -0.620 0.000 1.100 44 A CA -1.366 50.473 52.037 -0.329 0.000 0.803 44 A CB -0.202 18.669 19.000 -0.215 0.000 1.043 44 A HN 0.634 nan 8.150 nan 0.000 0.488 45 P HA -0.287 nan 4.420 nan 0.000 0.219 45 P C 0.789 177.396 177.300 -1.155 0.000 1.158 45 P CA 2.702 64.940 63.100 -1.438 0.000 0.895 45 P CB -0.053 30.238 31.700 -2.348 0.000 0.792 46 S N -5.287 109.818 115.700 -0.992 0.000 3.672 46 S HA -0.256 4.215 4.470 0.002 0.000 0.319 46 S C 0.874 175.159 174.600 -0.525 0.000 1.151 46 S CA 0.583 58.451 58.200 -0.553 0.000 0.911 46 S CB -2.811 60.151 63.200 -0.398 0.000 0.939 46 S HN 0.137 nan 8.310 nan 0.000 0.524 47 F N 1.338 120.898 119.950 -0.650 0.000 2.102 47 F HA 0.162 4.690 4.527 0.002 0.000 0.298 47 F C 2.510 177.927 175.800 -0.639 0.000 1.105 47 F CA 1.091 58.725 58.000 -0.610 0.000 1.239 47 F CB -0.418 38.135 39.000 -0.744 0.000 0.991 47 F HN 0.582 nan 8.300 nan 0.000 0.474 48 G N -0.650 107.742 108.800 -0.681 0.000 3.474 48 G HA2 0.329 4.290 3.960 0.002 0.000 0.269 48 G HA3 0.329 4.290 3.960 0.002 0.000 0.269 48 G C 0.997 175.834 174.900 -0.104 0.000 1.339 48 G CA 0.146 45.029 45.100 -0.361 0.000 1.258 48 G HN 0.578 nan 8.290 nan 0.000 0.560 49 G N 0.138 108.870 108.800 -0.114 0.000 2.356 49 G HA2 -0.245 3.716 3.960 0.002 0.000 0.296 49 G HA3 -0.245 3.716 3.960 0.002 0.000 0.296 49 G C 0.275 175.137 174.900 -0.063 0.000 1.022 49 G CA 0.616 45.671 45.100 -0.074 0.000 0.961 49 G HN 0.617 nan 8.290 nan 0.000 0.510 50 T N 0.477 114.978 114.554 -0.087 0.000 2.829 50 T HA 0.649 5.000 4.350 0.002 0.000 0.280 50 T C 0.420 175.074 174.700 -0.078 0.000 0.999 50 T CA 0.289 62.363 62.100 -0.044 0.000 0.983 50 T CB 1.588 70.467 68.868 0.019 0.000 0.968 50 T HN 0.752 nan 8.240 nan 0.000 0.446 51 T N 0.614 115.133 114.554 -0.059 0.000 2.756 51 T HA 0.799 5.150 4.350 0.002 0.000 0.290 51 T C 0.294 174.962 174.700 -0.052 0.000 0.985 51 T CA -0.623 61.432 62.100 -0.075 0.000 0.955 51 T CB 1.256 70.086 68.868 -0.064 0.000 0.930 51 T HN 0.787 nan 8.240 nan 0.000 0.451 52 G N 2.119 110.880 108.800 -0.066 0.000 2.570 52 G HA2 0.731 4.692 3.960 0.002 0.000 0.310 52 G HA3 0.731 4.692 3.960 0.002 0.000 0.310 52 G C -0.824 174.040 174.900 -0.060 0.000 1.266 52 G CA -0.374 44.699 45.100 -0.045 0.000 0.825 52 G HN 1.044 nan 8.290 nan 0.000 0.483 53 T N -1.469 113.057 114.554 -0.046 0.000 2.916 53 T HA 0.677 5.028 4.350 0.002 0.000 0.292 53 T C -0.052 174.630 174.700 -0.029 0.000 1.064 53 T CA -0.760 61.316 62.100 -0.040 0.000 1.011 53 T CB 1.562 70.413 68.868 -0.028 0.000 1.152 53 T HN 0.540 nan 8.240 nan 0.000 0.510 54 L N 2.528 123.759 121.223 0.013 0.000 2.534 54 L HA 0.178 4.519 4.340 0.002 0.000 0.271 54 L C 0.862 177.721 176.870 -0.019 0.000 1.178 54 L CA -0.581 54.299 54.840 0.066 0.000 0.907 54 L CB 0.074 42.232 42.059 0.165 0.000 1.164 54 L HN 0.549 nan 8.230 nan 0.000 0.482 55 Q N 1.813 121.496 119.800 -0.195 0.000 2.318 55 Q HA 0.119 4.460 4.340 0.002 0.000 0.222 55 Q C -0.368 175.626 176.000 -0.010 0.000 1.003 55 Q CA -0.445 55.152 55.803 -0.342 0.000 0.936 55 Q CB 0.870 28.895 28.738 -1.188 0.000 1.204 55 Q HN 0.392 nan 8.270 nan 0.000 0.524 56 D N 0.478 120.956 120.400 0.130 0.000 2.342 56 D HA 0.146 4.787 4.640 0.002 0.000 0.260 56 D C 0.471 177.068 176.300 0.494 0.000 1.278 56 D CA 0.040 54.219 54.000 0.297 0.000 0.910 56 D CB 0.828 41.775 40.800 0.246 0.000 1.079 56 D HN 0.547 nan 8.370 nan 0.000 0.496 57 A N 3.750 126.812 122.820 0.404 0.000 2.076 57 A HA -0.175 4.146 4.320 0.002 0.000 0.220 57 A C 1.428 178.990 177.584 -0.036 0.000 1.160 57 A CA 0.955 53.088 52.037 0.160 0.000 0.653 57 A CB -0.374 18.537 19.000 -0.149 0.000 0.801 57 A HN 0.585 nan 8.150 nan 0.000 0.455 58 F N -0.431 119.692 119.950 0.289 0.000 2.695 58 F HA 0.182 4.710 4.527 0.002 0.000 0.303 58 F C 0.498 176.365 175.800 0.113 0.000 1.091 58 F CA -0.736 57.368 58.000 0.173 0.000 1.300 58 F CB 0.373 39.451 39.000 0.130 0.000 1.071 58 F HN 0.043 nan 8.300 nan 0.000 0.578 59 D N 1.579 122.143 120.400 0.273 0.000 2.359 59 D HA 0.021 4.662 4.640 0.002 0.000 0.250 59 D C 1.306 177.678 176.300 0.119 0.000 1.264 59 D CA 0.211 54.327 54.000 0.193 0.000 0.911 59 D CB 0.710 41.633 40.800 0.205 0.000 1.056 59 D HN 0.166 nan 8.370 nan 0.000 0.499 60 L N 4.423 125.688 121.223 0.070 0.000 1.989 60 L HA -0.191 4.150 4.340 0.002 0.000 0.211 60 L C 2.107 178.981 176.870 0.008 0.000 1.071 60 L CA 1.588 56.430 54.840 0.003 0.000 0.749 60 L CB -0.079 41.978 42.059 -0.003 0.000 0.890 60 L HN 0.366 nan 8.230 nan 0.000 0.431 61 E N -0.234 119.992 120.200 0.043 0.000 2.070 61 E HA -0.259 4.092 4.350 0.002 0.000 0.197 61 E C 2.212 178.857 176.600 0.075 0.000 1.004 61 E CA 1.492 57.925 56.400 0.055 0.000 0.805 61 E CB -0.610 29.125 29.700 0.058 0.000 0.744 61 E HN 0.623 nan 8.360 nan 0.000 0.451 62 A N 0.772 123.657 122.820 0.109 0.000 1.972 62 A HA -0.124 4.197 4.320 0.002 0.000 0.219 62 A C 2.389 180.084 177.584 0.184 0.000 1.169 62 A CA 1.046 53.184 52.037 0.169 0.000 0.635 62 A CB -0.561 18.582 19.000 0.239 0.000 0.810 62 A HN 0.195 nan 8.150 nan 0.000 0.446 63 L N -0.898 120.363 121.223 0.064 0.000 2.109 63 L HA -0.119 4.222 4.340 0.002 0.000 0.207 63 L C 2.283 179.032 176.870 -0.200 0.000 1.086 63 L CA 1.251 56.007 54.840 -0.139 0.000 0.760 63 L CB -0.364 41.518 42.059 -0.294 0.000 0.910 63 L HN 0.342 nan 8.230 nan 0.000 0.437 64 K N 0.328 120.667 120.400 -0.101 0.000 2.360 64 K HA -0.084 4.237 4.320 0.002 0.000 0.201 64 K C 1.956 178.719 176.600 0.272 0.000 1.046 64 K CA 1.023 57.367 56.287 0.096 0.000 0.945 64 K CB -0.135 32.448 32.500 0.139 0.000 0.750 64 K HN 0.263 nan 8.250 nan 0.000 0.464 65 A N 1.131 124.059 122.820 0.179 0.000 2.123 65 A HA 0.069 4.390 4.320 0.002 0.000 0.214 65 A C 0.860 178.567 177.584 0.205 0.000 1.152 65 A CA 0.265 52.409 52.037 0.177 0.000 0.728 65 A CB -0.215 18.866 19.000 0.134 0.000 0.814 65 A HN 0.102 nan 8.150 nan 0.000 0.464 66 L N -0.442 120.934 121.223 0.255 0.000 2.375 66 L HA 0.357 4.698 4.340 0.002 0.000 0.271 66 L C 0.269 177.349 176.870 0.350 0.000 1.107 66 L CA -0.583 54.404 54.840 0.246 0.000 0.806 66 L CB 0.695 42.857 42.059 0.172 0.000 1.146 66 L HN 0.109 nan 8.230 nan 0.000 0.447 67 D N 1.171 121.698 120.400 0.212 0.000 2.249 67 D HA 0.194 4.835 4.640 0.002 0.000 0.205 67 D C 0.095 176.529 176.300 0.222 0.000 0.962 67 D CA 1.052 55.145 54.000 0.156 0.000 0.860 67 D CB 0.295 41.157 40.800 0.104 0.000 0.955 67 D HN 0.296 nan 8.370 nan 0.000 0.505 68 I N 0.064 120.782 120.570 0.247 0.000 2.994 68 I HA 0.387 4.558 4.170 0.002 0.000 0.306 68 I C -1.165 175.020 176.117 0.114 0.000 1.195 68 I CA -0.957 60.496 61.300 0.256 0.000 1.001 68 I CB 2.895 40.970 38.000 0.126 0.000 1.244 68 I HN -0.287 nan 8.210 nan 0.000 0.437 69 I N 4.039 124.645 120.570 0.060 0.000 2.534 69 I HA 0.402 4.574 4.170 0.002 0.000 0.288 69 I C -1.097 174.756 176.117 -0.439 0.000 1.077 69 I CA -0.833 60.292 61.300 -0.292 0.000 1.051 69 I CB 2.450 40.189 38.000 -0.434 0.000 1.234 69 I HN 0.105 nan 8.210 nan 0.000 0.425 70 V N 4.626 124.262 119.914 -0.464 0.000 2.350 70 V HA 0.422 4.543 4.120 0.002 0.000 0.285 70 V C -0.083 175.855 176.094 -0.261 0.000 1.014 70 V CA -0.435 61.685 62.300 -0.301 0.000 0.831 70 V CB 1.726 33.500 31.823 -0.081 0.000 1.000 70 V HN 0.824 nan 8.190 nan 0.000 0.433 71 T N 0.947 115.296 114.554 -0.341 0.000 2.797 71 T HA 0.425 4.776 4.350 0.002 0.000 0.279 71 T C 0.004 174.638 174.700 -0.111 0.000 0.991 71 T CA -0.550 61.394 62.100 -0.260 0.000 0.979 71 T CB 1.356 70.034 68.868 -0.316 0.000 0.943 71 T HN 0.566 nan 8.240 nan 0.000 0.444 72 C N 2.322 121.575 119.300 -0.078 0.000 3.101 72 C HA 0.303 4.764 4.460 0.002 0.000 0.253 72 C C 1.832 176.780 174.990 -0.070 0.000 1.754 72 C CA -0.429 58.565 59.018 -0.040 0.000 1.756 72 C CB -0.954 26.785 27.740 -0.003 0.000 3.227 72 C HN 1.075 nan 8.230 nan 0.000 0.483 73 Q N 1.871 121.600 119.800 -0.118 0.000 2.061 73 Q HA 0.411 4.752 4.340 0.002 0.000 0.195 73 Q C 0.964 176.950 176.000 -0.023 0.000 0.967 73 Q CA 2.044 57.762 55.803 -0.142 0.000 0.829 73 Q CB 0.173 28.698 28.738 -0.356 0.000 0.900 73 Q HN 0.623 nan 8.270 nan 0.000 0.450 74 G N -2.818 106.013 108.800 0.053 0.000 2.350 74 G HA2 0.289 4.250 3.960 0.002 0.000 0.304 74 G HA3 0.289 4.250 3.960 0.002 0.000 0.304 74 G C 0.176 175.176 174.900 0.167 0.000 1.421 74 G CA -0.324 44.835 45.100 0.098 0.000 0.934 74 G HN 0.245 nan 8.290 nan 0.000 0.632 75 G N -0.760 108.119 108.800 0.133 0.000 2.448 75 G HA2 0.052 4.013 3.960 0.002 0.000 0.218 75 G HA3 0.052 4.013 3.960 0.002 0.000 0.218 75 G C 1.070 176.054 174.900 0.141 0.000 1.135 75 G CA 1.839 47.019 45.100 0.134 0.000 0.784 75 G HN 0.571 nan 8.290 nan 0.000 0.543 76 D N -0.692 119.796 120.400 0.148 0.000 2.144 76 D HA -0.116 4.525 4.640 0.002 0.000 0.199 76 D C 1.836 178.252 176.300 0.193 0.000 0.984 76 D CA 0.629 54.716 54.000 0.145 0.000 0.834 76 D CB -0.240 40.644 40.800 0.141 0.000 0.955 76 D HN 0.406 nan 8.370 nan 0.000 0.465 77 Y N 1.191 121.569 120.300 0.130 0.000 2.163 77 Y HA -0.208 4.343 4.550 0.001 0.000 0.288 77 Y C 2.290 178.282 175.900 0.154 0.000 1.136 77 Y CA 1.811 59.999 58.100 0.148 0.000 1.147 77 Y CB -0.512 37.991 38.460 0.072 0.000 0.987 77 Y HN -0.129 nan 8.280 nan 0.000 0.509 78 T N 1.214 115.929 114.554 0.268 0.000 2.607 78 T HA -0.227 4.124 4.350 0.002 0.000 0.267 78 T C 1.549 176.244 174.700 -0.008 0.000 1.049 78 T CA 1.764 63.976 62.100 0.187 0.000 1.162 78 T CB -0.500 68.514 68.868 0.243 0.000 0.863 78 T HN 0.404 nan 8.240 nan 0.000 0.424 79 N N 0.924 119.638 118.700 0.024 0.000 2.334 79 N HA -0.128 4.613 4.740 0.002 0.000 0.187 79 N C 1.844 177.338 175.510 -0.027 0.000 1.016 79 N CA 1.182 54.233 53.050 0.002 0.000 0.879 79 N CB -0.231 38.270 38.487 0.022 0.000 0.965 79 N HN 0.647 nan 8.380 nan 0.000 0.438 80 E N 0.210 120.379 120.200 -0.052 0.000 2.075 80 E HA 0.057 4.408 4.350 0.002 0.000 0.190 80 E C 1.687 178.211 176.600 -0.127 0.000 0.969 80 E CA 0.511 56.877 56.400 -0.057 0.000 0.815 80 E CB 0.067 29.780 29.700 0.021 0.000 0.776 80 E HN 0.035 nan 8.360 nan 0.000 0.457 81 I N 0.185 120.586 120.570 -0.283 0.000 2.385 81 I HA -0.092 4.079 4.170 0.002 0.000 0.244 81 I C 2.144 178.085 176.117 -0.293 0.000 1.089 81 I CA 0.746 61.862 61.300 -0.306 0.000 1.410 81 I CB -1.280 36.404 38.000 -0.526 0.000 1.117 81 I HN 0.202 nan 8.210 nan 0.000 0.429 82 Y N 3.215 123.194 120.300 -0.536 0.000 2.030 82 Y HA -0.235 4.316 4.550 0.001 0.000 0.272 82 Y C -0.491 175.180 175.900 -0.383 0.000 1.185 82 Y CA 2.627 60.307 58.100 -0.701 0.000 1.120 82 Y CB -1.929 35.993 38.460 -0.896 0.000 0.955 82 Y HN 0.122 nan 8.280 nan 0.000 0.495 83 P HA -0.178 nan 4.420 nan 0.000 0.216 83 P C 1.309 178.467 177.300 -0.238 0.000 1.150 83 P CA 2.229 65.182 63.100 -0.246 0.000 0.837 83 P CB -0.132 31.507 31.700 -0.101 0.000 0.786 84 K N -0.896 119.387 120.400 -0.196 0.000 2.148 84 K HA -0.103 4.218 4.320 0.002 0.000 0.204 84 K C 1.881 178.385 176.600 -0.161 0.000 1.050 84 K CA 0.784 56.984 56.287 -0.145 0.000 0.942 84 K CB -0.499 31.938 32.500 -0.105 0.000 0.724 84 K HN -0.008 nan 8.250 nan 0.000 0.446 85 L N 1.226 122.306 121.223 -0.237 0.000 2.049 85 L HA -0.055 4.286 4.340 0.002 0.000 0.203 85 L C 2.098 178.890 176.870 -0.130 0.000 1.074 85 L CA 1.485 56.198 54.840 -0.211 0.000 0.749 85 L CB -0.423 41.434 42.059 -0.337 0.000 0.907 85 L HN 0.018 nan 8.230 nan 0.000 0.439 86 R N 0.051 120.383 120.500 -0.280 0.000 2.127 86 R HA -0.188 4.153 4.340 0.002 0.000 0.238 86 R C 2.181 178.407 176.300 -0.122 0.000 1.134 86 R CA 1.381 57.356 56.100 -0.209 0.000 0.975 86 R CB -0.611 29.407 30.300 -0.470 0.000 0.865 86 R HN 0.585 nan 8.270 nan 0.000 0.447 87 E N 0.483 120.600 120.200 -0.138 0.000 2.106 87 E HA -0.127 4.224 4.350 0.002 0.000 0.192 87 E C 1.572 178.145 176.600 -0.045 0.000 0.984 87 E CA 1.429 57.777 56.400 -0.087 0.000 0.806 87 E CB 0.065 29.713 29.700 -0.087 0.000 0.750 87 E HN 0.313 nan 8.360 nan 0.000 0.458 88 S N -1.006 114.675 115.700 -0.031 0.000 2.584 88 S HA -0.016 4.455 4.470 0.002 0.000 0.240 88 S C 1.452 176.071 174.600 0.033 0.000 0.975 88 S CA 0.942 59.144 58.200 0.003 0.000 0.949 88 S CB 0.056 63.262 63.200 0.010 0.000 0.761 88 S HN 0.448 nan 8.310 nan 0.000 0.536 89 G N -0.395 108.423 108.800 0.029 0.000 2.159 89 G HA2 -0.282 3.679 3.960 0.002 0.000 0.227 89 G HA3 -0.282 3.679 3.960 0.002 0.000 0.227 89 G C -0.246 174.694 174.900 0.066 0.000 0.986 89 G CA -0.178 44.938 45.100 0.026 0.000 0.651 89 G HN 0.644 nan 8.290 nan 0.000 0.523 90 W N 2.035 123.285 121.300 -0.083 0.000 2.489 90 W HA 0.557 5.219 4.660 0.002 0.000 0.327 90 W C 0.866 177.335 176.519 -0.083 0.000 1.436 90 W CA 0.353 57.658 57.345 -0.067 0.000 1.315 90 W CB 0.459 29.887 29.460 -0.053 0.000 1.373 90 W HN 0.216 nan 8.180 nan 0.000 0.557 91 Q N 4.517 123.974 119.800 -0.572 0.000 2.201 91 Q HA 0.223 4.564 4.340 0.002 0.000 0.236 91 Q C 0.957 176.347 176.000 -1.018 0.000 0.857 91 Q CA -0.290 55.137 55.803 -0.625 0.000 1.025 91 Q CB 0.453 28.969 28.738 -0.370 0.000 1.124 91 Q HN 0.632 nan 8.270 nan 0.000 0.473 92 G N -0.485 107.139 108.800 -1.960 0.000 2.563 92 G HA2 0.193 4.154 3.960 0.002 0.000 0.283 92 G HA3 0.193 4.154 3.960 0.002 0.000 0.283 92 G C -1.002 173.184 174.900 -1.191 0.000 1.309 92 G CA -0.355 43.755 45.100 -1.651 0.000 1.022 92 G HN 0.214 nan 8.290 nan 0.000 0.501 93 Y N -0.750 119.402 120.300 -0.247 0.000 2.320 93 Y HA 0.300 4.850 4.550 0.001 0.000 0.334 93 Y C -0.165 176.023 175.900 0.480 0.000 1.055 93 Y CA -0.684 57.494 58.100 0.130 0.000 1.143 93 Y CB 1.597 40.157 38.460 0.166 0.000 1.193 93 Y HN 0.460 nan 8.280 nan 0.000 0.477 94 W N 7.360 128.965 121.300 0.508 0.000 2.299 94 W HA 0.515 5.176 4.660 0.001 0.000 0.319 94 W C -1.889 174.796 176.519 0.276 0.000 1.008 94 W CA -1.181 56.433 57.345 0.449 0.000 1.384 94 W CB 0.628 30.394 29.460 0.510 0.000 1.220 94 W HN 0.491 nan 8.180 nan 0.000 0.402 95 I N 6.004 126.587 120.570 0.021 0.000 2.304 95 I HA 0.117 4.288 4.170 0.002 0.000 0.291 95 I C 0.098 176.113 176.117 -0.169 0.000 1.018 95 I CA 0.202 61.523 61.300 0.035 0.000 1.260 95 I CB 1.084 39.094 38.000 0.017 0.000 1.390 95 I HN 0.185 nan 8.210 nan 0.000 0.475 96 D N 3.860 124.267 120.400 0.012 0.000 2.419 96 D HA 0.655 5.296 4.640 0.002 0.000 0.234 96 D C 0.141 176.475 176.300 0.056 0.000 1.014 96 D CA -0.437 53.580 54.000 0.029 0.000 0.919 96 D CB 2.410 43.373 40.800 0.272 0.000 1.366 96 D HN 0.485 nan 8.370 nan 0.000 0.490 97 A N 0.966 123.813 122.820 0.044 0.000 2.192 97 A HA 0.568 4.889 4.320 0.002 0.000 0.208 97 A C 0.891 178.509 177.584 0.056 0.000 1.220 97 A CA 0.616 52.676 52.037 0.037 0.000 0.900 97 A CB -0.091 18.915 19.000 0.010 0.000 0.937 97 A HN 0.547 nan 8.150 nan 0.000 0.487 98 A N 0.517 123.386 122.820 0.082 0.000 2.406 98 A HA 0.438 4.759 4.320 0.002 0.000 0.243 98 A C 1.587 179.225 177.584 0.090 0.000 1.082 98 A CA 0.441 52.532 52.037 0.090 0.000 0.786 98 A CB 0.148 19.222 19.000 0.123 0.000 1.029 98 A HN 0.965 nan 8.150 nan 0.000 0.495 99 S N 1.027 116.778 115.700 0.085 0.000 2.428 99 S HA -0.113 4.358 4.470 0.002 0.000 0.230 99 S C 1.816 176.466 174.600 0.083 0.000 1.014 99 S CA 1.165 59.419 58.200 0.091 0.000 0.957 99 S CB -0.675 62.588 63.200 0.105 0.000 0.784 99 S HN 0.737 nan 8.310 nan 0.000 0.499 100 S N 3.093 118.836 115.700 0.072 0.000 2.432 100 S HA -0.208 4.263 4.470 0.002 0.000 0.266 100 S C 1.472 176.084 174.600 0.021 0.000 1.076 100 S CA 2.192 60.419 58.200 0.045 0.000 1.320 100 S CB -0.988 62.236 63.200 0.040 0.000 1.222 100 S HN 0.630 nan 8.310 nan 0.000 0.439 101 L N 1.101 122.311 121.223 -0.022 0.000 2.645 101 L HA 0.164 4.505 4.340 0.002 0.000 0.235 101 L C 2.179 179.043 176.870 -0.011 0.000 1.150 101 L CA 0.063 54.864 54.840 -0.065 0.000 0.911 101 L CB -0.449 41.469 42.059 -0.234 0.000 1.077 101 L HN 0.163 nan 8.230 nan 0.000 0.438 102 R N 0.489 121.011 120.500 0.038 0.000 2.082 102 R HA -0.068 4.273 4.340 0.002 0.000 0.234 102 R C 1.463 177.795 176.300 0.053 0.000 1.136 102 R CA 1.282 57.414 56.100 0.053 0.000 0.935 102 R CB -0.126 30.223 30.300 0.081 0.000 0.842 102 R HN 0.272 nan 8.270 nan 0.000 0.430 103 M N 1.427 121.079 119.600 0.088 0.000 2.608 103 M HA 0.105 4.586 4.480 0.002 0.000 0.224 103 M C -0.411 175.928 176.300 0.064 0.000 1.204 103 M CA 0.373 55.729 55.300 0.092 0.000 0.984 103 M CB -0.178 32.531 32.600 0.183 0.000 1.691 103 M HN -0.145 nan 8.290 nan 0.000 0.469 104 K N 0.736 121.158 120.400 0.036 0.000 2.087 104 K HA 0.185 4.506 4.320 0.002 0.000 0.255 104 K C 0.688 177.295 176.600 0.012 0.000 0.988 104 K CA -0.391 55.910 56.287 0.022 0.000 0.915 104 K CB 1.190 33.694 32.500 0.005 0.000 1.043 104 K HN 0.001 nan 8.250 nan 0.000 0.457 105 D N 1.210 121.619 120.400 0.014 0.000 2.117 105 D HA -0.151 4.490 4.640 0.002 0.000 0.198 105 D C 0.748 177.044 176.300 -0.006 0.000 0.982 105 D CA 1.389 55.393 54.000 0.006 0.000 0.828 105 D CB 0.157 40.963 40.800 0.009 0.000 0.967 105 D HN 0.597 nan 8.370 nan 0.000 0.464 106 D N 0.159 120.559 120.400 0.000 0.000 2.344 106 D HA 0.160 4.801 4.640 0.002 0.000 0.242 106 D C -0.152 176.118 176.300 -0.050 0.000 1.159 106 D CA -0.110 53.885 54.000 -0.009 0.000 0.859 106 D CB -0.095 40.729 40.800 0.039 0.000 0.925 106 D HN -0.018 nan 8.370 nan 0.000 0.510 107 A N 0.112 122.893 122.820 -0.065 0.000 2.435 107 A HA 0.677 4.998 4.320 0.002 0.000 0.304 107 A C -0.901 176.635 177.584 -0.080 0.000 1.064 107 A CA -0.820 51.156 52.037 -0.102 0.000 0.727 107 A CB 1.516 20.471 19.000 -0.075 0.000 1.284 107 A HN 0.205 nan 8.150 nan 0.000 0.415 108 I N 2.384 122.893 120.570 -0.101 0.000 2.465 108 I HA 0.327 4.498 4.170 0.002 0.000 0.291 108 I C -0.649 175.523 176.117 0.093 0.000 1.014 108 I CA -0.548 60.758 61.300 0.009 0.000 1.093 108 I CB 1.844 39.882 38.000 0.064 0.000 1.267 108 I HN 0.550 nan 8.210 nan 0.000 0.431 109 I N 6.770 127.384 120.570 0.073 0.000 2.471 109 I HA 0.212 4.383 4.170 0.002 0.000 0.286 109 I C 0.105 176.277 176.117 0.092 0.000 1.079 109 I CA -0.258 61.085 61.300 0.073 0.000 1.398 109 I CB 0.584 38.601 38.000 0.028 0.000 1.403 109 I HN 0.393 nan 8.210 nan 0.000 0.530 110 I N 5.196 125.828 120.570 0.103 0.000 2.377 110 I HA 0.559 4.730 4.170 0.002 0.000 0.293 110 I C -0.748 175.392 176.117 0.038 0.000 0.987 110 I CA -0.756 60.593 61.300 0.081 0.000 1.185 110 I CB 1.833 39.887 38.000 0.090 0.000 1.341 110 I HN 0.394 nan 8.210 nan 0.000 0.455 111 L N 5.764 126.996 121.223 0.014 0.000 2.400 111 L HA 0.237 4.578 4.340 0.002 0.000 0.261 111 L C 0.627 177.482 176.870 -0.024 0.000 1.554 111 L CA 0.206 55.038 54.840 -0.013 0.000 0.774 111 L CB 0.344 42.374 42.059 -0.049 0.000 0.964 111 L HN 0.853 nan 8.230 nan 0.000 0.524 112 D N 2.090 122.487 120.400 -0.004 0.000 2.412 112 D HA -0.226 4.415 4.640 0.002 0.000 0.191 112 D C -1.001 175.295 176.300 -0.007 0.000 1.019 112 D CA 2.551 56.550 54.000 -0.002 0.000 0.866 112 D CB -0.289 40.528 40.800 0.028 0.000 0.966 112 D HN 0.375 nan 8.370 nan 0.000 0.459 113 P HA -0.069 nan 4.420 nan 0.000 0.221 113 P C 1.539 178.836 177.300 -0.005 0.000 1.145 113 P CA 0.763 63.861 63.100 -0.004 0.000 0.795 113 P CB 0.162 31.819 31.700 -0.072 0.000 0.775 114 V N -0.693 119.225 119.914 0.005 0.000 2.922 114 V HA 0.085 4.206 4.120 0.002 0.000 0.242 114 V C 0.924 177.037 176.094 0.031 0.000 1.094 114 V CA 1.280 63.626 62.300 0.077 0.000 1.106 114 V CB -0.435 31.394 31.823 0.011 0.000 0.799 114 V HN 0.245 nan 8.190 nan 0.000 0.474 115 N N -0.021 118.679 118.700 0.000 0.000 2.672 115 N HA 0.115 4.856 4.740 0.002 0.000 0.295 115 N C 0.685 176.196 175.510 0.003 0.000 1.924 115 N CA -0.260 52.791 53.050 0.002 0.000 0.851 115 N CB 0.832 39.318 38.487 -0.002 0.000 1.281 115 N HN 0.164 nan 8.380 nan 0.000 0.494 116 Q N 1.411 121.208 119.800 -0.005 0.000 2.084 116 Q HA -0.166 4.175 4.340 0.002 0.000 0.202 116 Q C 0.827 176.826 176.000 -0.002 0.000 0.978 116 Q CA 2.380 58.177 55.803 -0.010 0.000 0.844 116 Q CB -0.073 28.655 28.738 -0.015 0.000 0.898 116 Q HN 0.556 nan 8.270 nan 0.000 0.426 117 D N -0.497 119.904 120.400 0.001 0.000 2.106 117 D HA -0.186 4.455 4.640 0.002 0.000 0.191 117 D C 1.859 178.173 176.300 0.022 0.000 0.997 117 D CA 1.670 55.675 54.000 0.008 0.000 0.834 117 D CB -0.962 39.842 40.800 0.007 0.000 0.956 117 D HN 0.207 nan 8.370 nan 0.000 0.448 118 V N 1.010 120.940 119.914 0.027 0.000 2.255 118 V HA -0.261 3.860 4.120 0.002 0.000 0.247 118 V C 2.700 178.838 176.094 0.073 0.000 1.051 118 V CA 1.614 63.939 62.300 0.042 0.000 1.018 118 V CB -0.534 31.311 31.823 0.036 0.000 0.641 118 V HN 0.260 nan 8.190 nan 0.000 0.445 119 I N -0.298 120.316 120.570 0.074 0.000 2.091 119 I HA -0.319 3.852 4.170 0.002 0.000 0.239 119 I C 2.563 178.744 176.117 0.106 0.000 1.061 119 I CA 2.295 63.663 61.300 0.113 0.000 1.317 119 I CB -1.095 36.910 38.000 0.007 0.000 1.031 119 I HN 0.333 nan 8.210 nan 0.000 0.401 120 T N 0.279 114.855 114.554 0.038 0.000 2.635 120 T HA -0.228 4.123 4.350 0.002 0.000 0.267 120 T C 1.529 176.266 174.700 0.062 0.000 1.040 120 T CA 1.974 64.093 62.100 0.031 0.000 1.156 120 T CB -0.426 68.447 68.868 0.007 0.000 0.863 120 T HN 0.304 nan 8.240 nan 0.000 0.430 121 D N 0.619 121.053 120.400 0.057 0.000 2.106 121 D HA -0.073 4.568 4.640 0.002 0.000 0.191 121 D C 2.330 178.675 176.300 0.075 0.000 0.997 121 D CA 1.485 55.517 54.000 0.055 0.000 0.834 121 D CB -0.857 39.969 40.800 0.043 0.000 0.956 121 D HN 0.472 nan 8.370 nan 0.000 0.448 122 G N 0.110 108.972 108.800 0.103 0.000 2.432 122 G HA2 -0.203 3.758 3.960 0.002 0.000 0.219 122 G HA3 -0.203 3.758 3.960 0.002 0.000 0.219 122 G C 1.736 176.729 174.900 0.156 0.000 1.135 122 G CA 0.213 45.380 45.100 0.111 0.000 0.767 122 G HN 0.262 nan 8.290 nan 0.000 0.550 123 L N 0.486 121.839 121.223 0.217 0.000 2.056 123 L HA -0.031 4.310 4.340 0.002 0.000 0.207 123 L C 2.001 178.964 176.870 0.154 0.000 1.078 123 L CA 0.827 55.816 54.840 0.248 0.000 0.749 123 L CB -0.145 42.011 42.059 0.162 0.000 0.901 123 L HN 0.165 nan 8.230 nan 0.000 0.433 124 N N -0.655 118.105 118.700 0.100 0.000 2.398 124 N HA -0.094 4.647 4.740 0.002 0.000 0.188 124 N C 0.980 176.525 175.510 0.059 0.000 1.122 124 N CA 0.403 53.495 53.050 0.070 0.000 0.866 124 N CB -0.216 38.300 38.487 0.048 0.000 0.970 124 N HN 0.222 nan 8.380 nan 0.000 0.462 125 N N 0.050 118.789 118.700 0.066 0.000 2.205 125 N HA 0.091 4.832 4.740 0.002 0.000 0.201 125 N C 0.901 176.434 175.510 0.038 0.000 1.128 125 N CA 0.417 53.493 53.050 0.044 0.000 0.867 125 N CB 0.411 38.921 38.487 0.038 0.000 0.996 125 N HN 0.265 nan 8.380 nan 0.000 0.503 126 G N -0.020 108.815 108.800 0.058 0.000 2.195 126 G HA2 -0.201 3.760 3.960 0.002 0.000 0.224 126 G HA3 -0.201 3.760 3.960 0.002 0.000 0.224 126 G C -0.075 174.845 174.900 0.034 0.000 0.990 126 G CA -0.170 44.954 45.100 0.040 0.000 0.639 126 G HN 0.182 nan 8.290 nan 0.000 0.514 127 I N 1.447 122.034 120.570 0.028 0.000 2.683 127 I HA 0.206 4.377 4.170 0.002 0.000 0.286 127 I C 1.420 177.511 176.117 -0.044 0.000 1.175 127 I CA 0.494 61.743 61.300 -0.083 0.000 1.429 127 I CB 0.727 38.608 38.000 -0.198 0.000 1.371 127 I HN 0.179 nan 8.210 nan 0.000 0.569 128 R N 2.980 123.437 120.500 -0.071 0.000 2.487 128 R HA 0.168 4.509 4.340 0.002 0.000 0.272 128 R C -0.130 176.262 176.300 0.152 0.000 0.928 128 R CA 0.092 56.311 56.100 0.199 0.000 1.077 128 R CB 0.333 30.605 30.300 -0.047 0.000 1.265 128 R HN 0.498 nan 8.270 nan 0.000 0.537 129 T N 1.878 116.318 114.554 -0.190 0.000 2.772 129 T HA 0.530 4.881 4.350 0.002 0.000 0.288 129 T C -0.796 173.670 174.700 -0.390 0.000 0.994 129 T CA -0.162 61.909 62.100 -0.048 0.000 0.951 129 T CB 0.592 69.464 68.868 0.007 0.000 0.933 129 T HN -0.116 nan 8.240 nan 0.000 0.447 130 F N 2.379 122.440 119.950 0.185 0.000 2.460 130 F HA 0.569 5.097 4.527 0.001 0.000 0.341 130 F C -0.103 175.750 175.800 0.089 0.000 1.130 130 F CA -1.016 57.043 58.000 0.098 0.000 0.962 130 F CB 1.455 40.484 39.000 0.047 0.000 1.171 130 F HN 0.193 nan 8.300 nan 0.000 0.436 131 V N 2.247 122.283 119.914 0.203 0.000 2.628 131 V HA 0.702 4.823 4.120 0.002 0.000 0.306 131 V C 0.372 176.531 176.094 0.109 0.000 1.045 131 V CA -0.989 61.396 62.300 0.141 0.000 0.905 131 V CB 1.851 33.734 31.823 0.101 0.000 0.997 131 V HN 0.861 nan 8.190 nan 0.000 0.436 132 G N 2.278 111.127 108.800 0.083 0.000 2.390 132 G HA2 0.523 4.484 3.960 0.002 0.000 0.270 132 G HA3 0.523 4.484 3.960 0.002 0.000 0.270 132 G C 0.421 175.350 174.900 0.048 0.000 1.211 132 G CA 0.219 45.354 45.100 0.058 0.000 0.842 132 G HN 1.041 nan 8.290 nan 0.000 0.519 133 G N 0.715 109.535 108.800 0.034 0.000 2.611 133 G HA2 0.256 4.217 3.960 0.002 0.000 0.273 133 G HA3 0.256 4.217 3.960 0.002 0.000 0.273 133 G C 0.352 175.268 174.900 0.027 0.000 1.305 133 G CA -0.599 44.516 45.100 0.025 0.000 1.010 133 G HN 0.734 nan 8.290 nan 0.000 0.509 134 N N -1.194 117.524 118.700 0.030 0.000 2.412 134 N HA -0.044 4.697 4.740 0.002 0.000 0.254 134 N C 1.845 177.367 175.510 0.020 0.000 1.232 134 N CA 0.347 53.419 53.050 0.037 0.000 0.880 134 N CB 0.540 39.060 38.487 0.055 0.000 1.076 134 N HN 0.604 nan 8.380 nan 0.000 0.458 135 C N 1.208 120.506 119.300 -0.003 0.000 2.396 135 C HA -0.200 4.261 4.460 0.002 0.000 0.277 135 C C 2.558 177.546 174.990 -0.003 0.000 1.231 135 C CA 1.503 60.495 59.018 -0.044 0.000 1.775 135 C CB -1.949 25.689 27.740 -0.170 0.000 2.036 135 C HN 0.860 nan 8.230 nan 0.000 0.484 136 T N -0.134 114.455 114.554 0.059 0.000 2.737 136 T HA -0.105 4.247 4.350 0.002 0.000 0.265 136 T C 1.705 176.464 174.700 0.098 0.000 1.038 136 T CA 1.977 64.154 62.100 0.130 0.000 1.144 136 T CB -0.884 68.089 68.868 0.174 0.000 0.866 136 T HN 0.419 nan 8.240 nan 0.000 0.434 137 V N 1.458 121.408 119.914 0.061 0.000 2.295 137 V HA -0.132 3.989 4.120 0.002 0.000 0.246 137 V C 3.104 179.192 176.094 -0.010 0.000 1.049 137 V CA 2.043 64.359 62.300 0.025 0.000 1.024 137 V CB -1.118 30.695 31.823 -0.016 0.000 0.648 137 V HN 0.606 nan 8.190 nan 0.000 0.447 138 S N -0.575 115.121 115.700 -0.007 0.000 2.387 138 S HA -0.183 4.288 4.470 0.002 0.000 0.230 138 S C 1.881 176.469 174.600 -0.020 0.000 1.035 138 S CA 1.775 59.963 58.200 -0.020 0.000 1.014 138 S CB -0.306 62.901 63.200 0.012 0.000 0.836 138 S HN 0.484 nan 8.310 nan 0.000 0.466 139 L N 0.633 121.870 121.223 0.024 0.000 2.072 139 L HA -0.045 4.296 4.340 0.002 0.000 0.205 139 L C 2.659 179.553 176.870 0.039 0.000 1.079 139 L CA 1.455 56.320 54.840 0.043 0.000 0.752 139 L CB -0.474 41.637 42.059 0.087 0.000 0.906 139 L HN 0.437 nan 8.230 nan 0.000 0.436 140 M N 0.109 119.761 119.600 0.085 0.000 2.065 140 M HA -0.263 4.218 4.480 0.002 0.000 0.259 140 M C 2.264 178.545 176.300 -0.031 0.000 1.069 140 M CA 2.013 57.380 55.300 0.112 0.000 1.110 140 M CB -0.161 32.568 32.600 0.215 0.000 1.328 140 M HN 0.210 nan 8.290 nan 0.000 0.405 141 L N -0.244 120.911 121.223 -0.112 0.000 2.131 141 L HA -0.229 4.112 4.340 0.002 0.000 0.210 141 L C 2.628 179.387 176.870 -0.186 0.000 1.092 141 L CA 0.774 55.481 54.840 -0.221 0.000 0.759 141 L CB -0.695 41.188 42.059 -0.292 0.000 0.903 141 L HN 0.430 nan 8.230 nan 0.000 0.435 142 M N -1.051 118.451 119.600 -0.163 0.000 2.200 142 M HA -0.117 4.364 4.480 0.002 0.000 0.265 142 M C 2.410 178.636 176.300 -0.124 0.000 1.066 142 M CA 1.401 56.580 55.300 -0.202 0.000 1.127 142 M CB -0.773 31.631 32.600 -0.328 0.000 1.379 142 M HN 0.109 nan 8.290 nan 0.000 0.420 143 S N 0.092 115.742 115.700 -0.084 0.000 2.388 143 S HA 0.165 4.636 4.470 0.002 0.000 0.223 143 S C 1.573 176.115 174.600 -0.096 0.000 1.034 143 S CA 0.551 58.719 58.200 -0.053 0.000 0.963 143 S CB 0.164 63.358 63.200 -0.011 0.000 0.827 143 S HN 0.388 nan 8.310 nan 0.000 0.481 144 L N 1.251 122.401 121.223 -0.121 0.000 2.791 144 L HA 0.307 4.648 4.340 0.002 0.000 0.239 144 L C 2.006 178.839 176.870 -0.062 0.000 1.203 144 L CA -0.186 54.577 54.840 -0.128 0.000 1.002 144 L CB -0.226 41.721 42.059 -0.187 0.000 1.295 144 L HN 0.315 nan 8.230 nan 0.000 0.504 145 G N 0.621 109.257 108.800 -0.275 0.000 2.440 145 G HA2 -0.246 3.715 3.960 0.002 0.000 0.218 145 G HA3 -0.246 3.715 3.960 0.002 0.000 0.218 145 G C 1.550 176.011 174.900 -0.732 0.000 1.154 145 G CA 0.891 45.575 45.100 -0.692 0.000 0.767 145 G HN 0.490 nan 8.290 nan 0.000 0.552 146 G N 0.814 109.316 108.800 -0.496 0.000 2.442 146 G HA2 -0.173 3.788 3.960 0.002 0.000 0.219 146 G HA3 -0.173 3.788 3.960 0.002 0.000 0.219 146 G C 1.799 176.654 174.900 -0.075 0.000 1.141 146 G CA 0.877 45.911 45.100 -0.108 0.000 0.763 146 G HN 0.442 nan 8.290 nan 0.000 0.554 147 L N -0.774 120.359 121.223 -0.151 0.000 1.976 147 L HA -0.029 4.312 4.340 0.002 0.000 0.209 147 L C 2.753 179.499 176.870 -0.208 0.000 1.071 147 L CA 1.211 55.908 54.840 -0.238 0.000 0.746 147 L CB -0.623 41.179 42.059 -0.429 0.000 0.890 147 L HN 0.166 nan 8.230 nan 0.000 0.432 148 F N 0.200 120.064 119.950 -0.143 0.000 2.095 148 F HA -0.250 4.277 4.527 0.000 0.000 0.298 148 F C 2.646 178.411 175.800 -0.059 0.000 1.104 148 F CA 1.223 59.162 58.000 -0.101 0.000 1.232 148 F CB -0.959 37.976 39.000 -0.108 0.000 0.987 148 F HN 0.031 nan 8.300 nan 0.000 0.475 149 A N -0.404 122.520 122.820 0.174 0.000 2.194 149 A HA -0.183 4.138 4.320 0.002 0.000 0.220 149 A C 1.602 179.235 177.584 0.081 0.000 1.162 149 A CA 1.768 53.894 52.037 0.149 0.000 0.674 149 A CB -0.661 18.498 19.000 0.266 0.000 0.789 149 A HN 0.483 nan 8.150 nan 0.000 0.470 150 N N -0.808 117.912 118.700 0.035 0.000 2.200 150 N HA 0.054 4.795 4.740 0.002 0.000 0.224 150 N C -0.549 174.947 175.510 -0.025 0.000 1.179 150 N CA 0.487 53.537 53.050 -0.001 0.000 0.877 150 N CB 0.543 39.018 38.487 -0.020 0.000 1.072 150 N HN 0.329 nan 8.380 nan 0.000 0.519 151 D N 0.559 120.949 120.400 -0.017 0.000 2.723 151 D HA -0.161 4.480 4.640 0.002 0.000 0.236 151 D C 0.284 176.534 176.300 -0.083 0.000 1.138 151 D CA 0.243 54.223 54.000 -0.032 0.000 0.676 151 D CB -0.917 39.873 40.800 -0.016 0.000 1.069 151 D HN 0.120 nan 8.370 nan 0.000 0.430 152 L N -0.572 120.570 121.223 -0.135 0.000 2.616 152 L HA 0.262 4.603 4.340 0.002 0.000 0.229 152 L C 0.555 177.277 176.870 -0.247 0.000 1.110 152 L CA 0.327 55.061 54.840 -0.177 0.000 0.884 152 L CB 0.671 42.622 42.059 -0.180 0.000 1.115 152 L HN 0.070 nan 8.230 nan 0.000 0.481 153 V N -0.242 119.501 119.914 -0.284 0.000 2.407 153 V HA 0.146 4.267 4.120 0.002 0.000 0.278 153 V C 0.786 176.755 176.094 -0.208 0.000 1.037 153 V CA -0.284 61.814 62.300 -0.337 0.000 0.900 153 V CB 1.663 33.163 31.823 -0.539 0.000 0.983 153 V HN 0.090 nan 8.190 nan 0.000 0.459 154 D N 3.758 124.004 120.400 -0.256 0.000 2.259 154 D HA 0.130 4.771 4.640 0.002 0.000 0.216 154 D C 0.118 176.447 176.300 0.048 0.000 0.961 154 D CA 0.813 54.716 54.000 -0.162 0.000 0.878 154 D CB 0.497 41.107 40.800 -0.317 0.000 1.009 154 D HN 0.662 nan 8.370 nan 0.000 0.490 155 W N -1.237 120.036 121.300 -0.045 0.000 3.064 155 W HA 0.496 5.156 4.660 0.001 0.000 0.328 155 W C -2.107 174.423 176.519 0.018 0.000 1.210 155 W CA -0.940 56.407 57.345 0.003 0.000 1.178 155 W CB 0.297 29.771 29.460 0.023 0.000 1.416 155 W HN -0.422 nan 8.180 nan 0.000 0.568 156 V N 1.691 121.981 119.914 0.626 0.000 2.789 156 V HA 0.561 4.682 4.120 0.002 0.000 0.311 156 V C -0.488 175.928 176.094 0.537 0.000 1.073 156 V CA -0.704 61.913 62.300 0.530 0.000 0.921 156 V CB 1.673 33.707 31.823 0.352 0.000 1.009 156 V HN 0.530 nan 8.190 nan 0.000 0.426 157 S N 2.897 118.913 115.700 0.527 0.000 2.707 157 S HA 0.753 5.224 4.470 0.002 0.000 0.312 157 S C -0.889 173.859 174.600 0.246 0.000 1.116 157 S CA -0.429 57.965 58.200 0.324 0.000 1.078 157 S CB 0.950 64.351 63.200 0.335 0.000 0.997 157 S HN 0.567 nan 8.310 nan 0.000 0.477 158 V N 2.829 122.815 119.914 0.121 0.000 2.769 158 V HA 0.975 5.096 4.120 0.002 0.000 0.312 158 V C 0.127 176.161 176.094 -0.100 0.000 1.058 158 V CA -0.984 61.277 62.300 -0.065 0.000 0.952 158 V CB 1.568 33.324 31.823 -0.112 0.000 1.019 158 V HN 1.020 nan 8.190 nan 0.000 0.445 159 A N 1.685 124.406 122.820 -0.166 0.000 2.457 159 A HA 0.714 5.035 4.320 0.002 0.000 0.283 159 A C -0.046 177.422 177.584 -0.193 0.000 1.166 159 A CA -0.292 51.653 52.037 -0.153 0.000 0.740 159 A CB 0.989 19.935 19.000 -0.090 0.000 1.181 159 A HN 1.063 nan 8.150 nan 0.000 0.446 160 T N -0.751 113.670 114.554 -0.223 0.000 2.909 160 T HA 0.603 4.954 4.350 0.002 0.000 0.286 160 T C -0.681 173.837 174.700 -0.303 0.000 1.002 160 T CA -0.167 61.827 62.100 -0.177 0.000 1.074 160 T CB 0.576 69.368 68.868 -0.126 0.000 0.984 160 T HN 0.369 nan 8.240 nan 0.000 0.495 161 Y N 1.750 121.968 120.300 -0.136 0.000 2.960 161 Y HA 0.300 4.851 4.550 0.001 0.000 0.343 161 Y C 0.767 176.518 175.900 -0.247 0.000 1.106 161 Y CA -0.978 57.054 58.100 -0.114 0.000 1.221 161 Y CB 0.424 38.879 38.460 -0.008 0.000 1.232 161 Y HN 0.591 nan 8.280 nan 0.000 0.577 162 Q N 1.581 121.209 119.800 -0.287 0.000 2.288 162 Q HA 0.623 4.964 4.340 0.002 0.000 0.254 162 Q C 0.043 175.809 176.000 -0.390 0.000 0.932 162 Q CA -0.578 54.790 55.803 -0.724 0.000 0.902 162 Q CB 1.748 30.143 28.738 -0.573 0.000 1.203 162 Q HN 0.641 nan 8.270 nan 0.000 0.415 163 A N 1.669 124.292 122.820 -0.329 0.000 2.332 163 A HA 0.444 4.765 4.320 0.002 0.000 0.258 163 A C 1.052 178.748 177.584 0.187 0.000 1.087 163 A CA 0.275 52.361 52.037 0.081 0.000 0.802 163 A CB 0.403 19.541 19.000 0.231 0.000 1.042 163 A HN 0.926 nan 8.150 nan 0.000 0.489 164 A N 0.570 123.504 122.820 0.189 0.000 2.019 164 A HA -0.022 4.299 4.320 0.002 0.000 0.219 164 A C 2.107 179.872 177.584 0.301 0.000 1.164 164 A CA 2.025 54.252 52.037 0.318 0.000 0.644 164 A CB -0.847 18.344 19.000 0.319 0.000 0.805 164 A HN 0.918 nan 8.150 nan 0.000 0.449 165 S N -0.071 115.757 115.700 0.214 0.000 2.500 165 S HA -0.041 4.430 4.470 0.002 0.000 0.239 165 S C 1.871 176.532 174.600 0.102 0.000 0.989 165 S CA 0.776 59.061 58.200 0.141 0.000 0.951 165 S CB -0.469 62.794 63.200 0.105 0.000 0.759 165 S HN 0.758 nan 8.310 nan 0.000 0.523 166 G N 1.646 110.550 108.800 0.173 0.000 2.422 166 G HA2 0.001 3.962 3.960 0.002 0.000 0.218 166 G HA3 0.001 3.962 3.960 0.002 0.000 0.218 166 G C 1.275 176.163 174.900 -0.020 0.000 1.140 166 G CA 0.632 45.798 45.100 0.109 0.000 0.775 166 G HN 0.576 nan 8.290 nan 0.000 0.545 167 G N -0.483 108.250 108.800 -0.112 0.000 2.813 167 G HA2 0.446 4.407 3.960 0.002 0.000 0.209 167 G HA3 0.446 4.407 3.960 0.002 0.000 0.209 167 G C 0.815 175.337 174.900 -0.630 0.000 1.150 167 G CA 0.653 45.355 45.100 -0.663 0.000 0.785 167 G HN 1.338 nan 8.290 nan 0.000 0.535 168 G N -1.847 106.851 108.800 -0.169 0.000 2.462 168 G HA2 0.343 4.304 3.960 0.002 0.000 0.685 168 G HA3 0.343 4.304 3.960 0.002 0.000 0.685 168 G C 0.837 175.778 174.900 0.068 0.000 1.295 168 G CA 0.103 45.188 45.100 -0.025 0.000 0.941 168 G HN 0.979 nan 8.290 nan 0.000 0.554 169 A N -0.012 122.838 122.820 0.050 0.000 1.841 169 A HA -0.058 4.263 4.320 0.002 0.000 0.216 169 A C 2.415 180.027 177.584 0.048 0.000 1.199 169 A CA 2.595 54.657 52.037 0.043 0.000 0.621 169 A CB -0.635 18.373 19.000 0.013 0.000 0.835 169 A HN 1.027 nan 8.150 nan 0.000 0.445 170 R N -1.237 119.281 120.500 0.031 0.000 2.133 170 R HA -0.217 4.124 4.340 0.002 0.000 0.247 170 R C 2.046 178.268 176.300 -0.130 0.000 1.151 170 R CA 2.007 58.076 56.100 -0.051 0.000 0.971 170 R CB -0.669 29.574 30.300 -0.096 0.000 0.866 170 R HN 0.765 nan 8.270 nan 0.000 0.447 171 H N -0.431 118.526 119.070 -0.188 0.000 2.326 171 H HA -0.050 4.508 4.556 0.002 0.000 0.301 171 H C 1.994 177.309 175.328 -0.021 0.000 1.081 171 H CA 1.818 57.670 56.048 -0.326 0.000 1.334 171 H CB -0.131 29.396 29.762 -0.390 0.000 1.385 171 H HN 0.143 nan 8.280 nan 0.000 0.504 172 M N 0.686 120.388 119.600 0.170 0.000 2.059 172 M HA -0.179 4.302 4.480 0.002 0.000 0.259 172 M C 1.983 178.345 176.300 0.103 0.000 1.072 172 M CA 1.725 57.120 55.300 0.159 0.000 1.117 172 M CB 0.089 32.759 32.600 0.116 0.000 1.320 172 M HN 0.056 nan 8.290 nan 0.000 0.408 173 R N 0.009 120.541 120.500 0.054 0.000 2.139 173 R HA -0.210 4.131 4.340 0.002 0.000 0.243 173 R C 2.293 178.599 176.300 0.011 0.000 1.145 173 R CA 1.954 58.068 56.100 0.024 0.000 0.976 173 R CB -0.714 29.588 30.300 0.002 0.000 0.866 173 R HN 0.639 nan 8.270 nan 0.000 0.449 174 E N 0.932 121.133 120.200 0.002 0.000 2.028 174 E HA -0.201 4.150 4.350 0.002 0.000 0.191 174 E C 2.001 178.639 176.600 0.062 0.000 0.988 174 E CA 0.999 57.395 56.400 -0.007 0.000 0.799 174 E CB -0.006 29.657 29.700 -0.063 0.000 0.755 174 E HN 0.179 nan 8.360 nan 0.000 0.447 175 L N 1.121 122.442 121.223 0.163 0.000 1.970 175 L HA -0.217 4.124 4.340 0.002 0.000 0.212 175 L C 2.303 179.218 176.870 0.076 0.000 1.071 175 L CA 1.699 56.632 54.840 0.155 0.000 0.751 175 L CB -0.596 41.582 42.059 0.198 0.000 0.889 175 L HN 0.200 nan 8.230 nan 0.000 0.432 176 L N -0.741 120.522 121.223 0.067 0.000 2.043 176 L HA -0.277 4.064 4.340 0.002 0.000 0.212 176 L C 2.469 179.353 176.870 0.023 0.000 1.075 176 L CA 2.080 56.947 54.840 0.045 0.000 0.752 176 L CB -0.985 41.100 42.059 0.043 0.000 0.891 176 L HN 0.380 nan 8.230 nan 0.000 0.432 177 T N -1.291 113.256 114.554 -0.013 0.000 2.708 177 T HA -0.223 4.128 4.350 0.002 0.000 0.266 177 T C 1.884 176.482 174.700 -0.170 0.000 1.037 177 T CA 1.236 63.284 62.100 -0.086 0.000 1.146 177 T CB -0.130 68.652 68.868 -0.144 0.000 0.865 177 T HN 0.369 nan 8.240 nan 0.000 0.435 178 Q N 0.114 119.835 119.800 -0.132 0.000 2.135 178 Q HA -0.099 4.242 4.340 0.002 0.000 0.204 178 Q C 2.387 178.402 176.000 0.024 0.000 0.981 178 Q CA 1.305 57.053 55.803 -0.092 0.000 0.856 178 Q CB -0.265 28.467 28.738 -0.011 0.000 0.902 178 Q HN 0.521 nan 8.270 nan 0.000 0.425 179 M N -0.442 119.186 119.600 0.047 0.000 2.065 179 M HA -0.174 4.307 4.480 0.002 0.000 0.259 179 M C 2.194 178.583 176.300 0.149 0.000 1.069 179 M CA 1.829 57.181 55.300 0.088 0.000 1.110 179 M CB -0.609 32.031 32.600 0.067 0.000 1.328 179 M HN 0.365 nan 8.290 nan 0.000 0.405 180 G N -1.162 107.729 108.800 0.152 0.000 2.446 180 G HA2 -0.273 3.688 3.960 0.002 0.000 0.217 180 G HA3 -0.273 3.688 3.960 0.002 0.000 0.217 180 G C 1.003 176.105 174.900 0.337 0.000 1.168 180 G CA 1.240 46.484 45.100 0.240 0.000 0.771 180 G HN 0.436 nan 8.290 nan 0.000 0.551 181 H N 0.240 119.373 119.070 0.106 0.000 2.319 181 H HA 0.026 4.583 4.556 0.002 0.000 0.299 181 H C 2.694 178.074 175.328 0.086 0.000 1.092 181 H CA 1.036 57.132 56.048 0.080 0.000 1.302 181 H CB -0.532 29.255 29.762 0.041 0.000 1.373 181 H HN 0.245 nan 8.280 nan 0.000 0.497 182 L N -0.779 120.581 121.223 0.229 0.000 1.970 182 L HA -0.271 4.070 4.340 0.002 0.000 0.212 182 L C 2.395 179.369 176.870 0.173 0.000 1.071 182 L CA 1.901 56.838 54.840 0.161 0.000 0.751 182 L CB -0.650 41.491 42.059 0.137 0.000 0.889 182 L HN 0.301 nan 8.230 nan 0.000 0.432 183 Y N 0.813 121.172 120.300 0.100 0.000 2.030 183 Y HA -0.251 4.300 4.550 0.002 0.000 0.274 183 Y C 2.327 178.277 175.900 0.085 0.000 1.153 183 Y CA 1.705 59.854 58.100 0.081 0.000 1.115 183 Y CB -1.071 37.429 38.460 0.067 0.000 0.969 183 Y HN 0.124 nan 8.280 nan 0.000 0.488 184 G N -0.162 108.577 108.800 -0.103 0.000 2.624 184 G HA2 -0.433 3.528 3.960 0.002 0.000 0.221 184 G HA3 -0.433 3.528 3.960 0.002 0.000 0.221 184 G C 1.758 176.541 174.900 -0.194 0.000 1.169 184 G CA 1.467 46.443 45.100 -0.206 0.000 0.771 184 G HN 0.709 nan 8.290 nan 0.000 0.598 185 H N 0.337 119.315 119.070 -0.155 0.000 2.518 185 H HA -0.037 4.520 4.556 0.002 0.000 0.294 185 H C 1.640 176.883 175.328 -0.142 0.000 1.083 185 H CA 1.504 57.481 56.048 -0.118 0.000 1.264 185 H CB 0.198 29.924 29.762 -0.060 0.000 1.370 185 H HN 0.375 nan 8.280 nan 0.000 0.560 186 V N -3.402 116.392 119.914 -0.200 0.000 3.017 186 V HA 0.498 4.619 4.120 0.002 0.000 0.354 186 V C 1.596 177.503 176.094 -0.311 0.000 1.389 186 V CA 0.301 62.471 62.300 -0.216 0.000 1.163 186 V CB 0.019 31.785 31.823 -0.094 0.000 1.178 186 V HN 0.278 nan 8.190 nan 0.000 0.547 187 A N 0.453 122.978 122.820 -0.491 0.000 1.933 187 A HA -0.167 4.154 4.320 0.002 0.000 0.218 187 A C 1.765 179.234 177.584 -0.193 0.000 1.175 187 A CA 2.428 54.133 52.037 -0.552 0.000 0.628 187 A CB -0.468 18.203 19.000 -0.549 0.000 0.814 187 A HN 0.589 nan 8.150 nan 0.000 0.444 188 D N -0.772 119.535 120.400 -0.155 0.000 2.103 188 D HA -0.053 4.588 4.640 0.002 0.000 0.199 188 D C 1.944 178.206 176.300 -0.064 0.000 0.978 188 D CA 1.251 55.200 54.000 -0.085 0.000 0.829 188 D CB -0.107 40.641 40.800 -0.085 0.000 0.981 188 D HN 0.467 nan 8.370 nan 0.000 0.464 189 E N -0.262 119.889 120.200 -0.081 0.000 2.153 189 E HA -0.087 4.264 4.350 0.002 0.000 0.194 189 E C 2.056 178.641 176.600 -0.025 0.000 0.988 189 E CA 0.516 56.885 56.400 -0.052 0.000 0.811 189 E CB -0.045 29.619 29.700 -0.060 0.000 0.746 189 E HN 0.320 nan 8.360 nan 0.000 0.466 190 L N -0.247 120.961 121.223 -0.025 0.000 2.217 190 L HA -0.036 4.305 4.340 0.002 0.000 0.211 190 L C 2.295 179.187 176.870 0.037 0.000 1.107 190 L CA 0.757 55.612 54.840 0.024 0.000 0.783 190 L CB -0.397 41.704 42.059 0.070 0.000 0.919 190 L HN 0.172 nan 8.230 nan 0.000 0.442 191 A N -0.666 122.168 122.820 0.022 0.000 1.969 191 A HA -0.090 4.231 4.320 0.002 0.000 0.218 191 A C 1.236 178.831 177.584 0.017 0.000 1.169 191 A CA 1.226 53.279 52.037 0.028 0.000 0.635 191 A CB -0.518 18.493 19.000 0.017 0.000 0.810 191 A HN 0.333 nan 8.150 nan 0.000 0.445 192 T N 1.392 115.949 114.554 0.006 0.000 3.016 192 T HA 0.382 4.733 4.350 0.002 0.000 0.335 192 T C -2.057 172.648 174.700 0.007 0.000 1.176 192 T CA -1.068 61.035 62.100 0.004 0.000 0.987 192 T CB 1.123 69.988 68.868 -0.005 0.000 1.073 192 T HN 0.130 nan 8.240 nan 0.000 0.547 193 P HA -0.088 nan 4.420 nan 0.000 0.219 193 P C 1.379 178.685 177.300 0.010 0.000 1.144 193 P CA 0.914 64.023 63.100 0.014 0.000 0.806 193 P CB 0.257 31.966 31.700 0.015 0.000 0.771 194 S N -1.680 114.023 115.700 0.007 0.000 2.492 194 S HA 0.043 4.514 4.470 0.002 0.000 0.218 194 S C 0.862 175.464 174.600 0.002 0.000 1.016 194 S CA -0.151 58.052 58.200 0.005 0.000 0.916 194 S CB -0.505 62.697 63.200 0.003 0.000 0.791 194 S HN 0.180 nan 8.310 nan 0.000 0.513 195 S N 2.444 118.144 115.700 -0.000 0.000 2.642 195 S HA 0.198 4.669 4.470 0.002 0.000 0.308 195 S C 0.397 174.996 174.600 -0.002 0.000 1.255 195 S CA -0.146 58.051 58.200 -0.004 0.000 1.057 195 S CB 0.120 63.315 63.200 -0.009 0.000 0.785 195 S HN 0.488 nan 8.310 nan 0.000 0.500 196 A N 4.968 127.786 122.820 -0.003 0.000 2.587 196 A HA 0.119 4.440 4.320 0.002 0.000 0.235 196 A C 1.276 178.861 177.584 0.002 0.000 1.044 196 A CA -0.121 51.916 52.037 -0.000 0.000 0.754 196 A CB -0.224 18.776 19.000 -0.001 0.000 0.968 196 A HN 1.046 nan 8.150 nan 0.000 0.509 197 I N 2.287 122.861 120.570 0.005 0.000 2.252 197 I HA -0.195 3.976 4.170 0.002 0.000 0.245 197 I C 2.120 178.243 176.117 0.010 0.000 1.102 197 I CA 1.196 62.501 61.300 0.009 0.000 1.385 197 I CB -0.342 37.665 38.000 0.011 0.000 1.064 197 I HN 0.743 nan 8.210 nan 0.000 0.414 198 L N -0.039 121.188 121.223 0.008 0.000 2.079 198 L HA -0.269 4.072 4.340 0.002 0.000 0.210 198 L C 2.084 178.959 176.870 0.009 0.000 1.081 198 L CA 1.587 56.433 54.840 0.009 0.000 0.752 198 L CB -1.020 41.043 42.059 0.007 0.000 0.896 198 L HN 0.266 nan 8.230 nan 0.000 0.433 199 D N 0.319 120.721 120.400 0.003 0.000 2.104 199 D HA -0.182 4.459 4.640 0.002 0.000 0.194 199 D C 2.150 178.449 176.300 -0.000 0.000 0.994 199 D CA 1.327 55.325 54.000 -0.003 0.000 0.830 199 D CB -0.188 40.604 40.800 -0.013 0.000 0.959 199 D HN 0.268 nan 8.370 nan 0.000 0.452 200 I N 0.522 121.093 120.570 0.001 0.000 2.252 200 I HA -0.230 3.941 4.170 0.002 0.000 0.245 200 I C 2.293 178.428 176.117 0.029 0.000 1.102 200 I CA 0.949 62.253 61.300 0.007 0.000 1.385 200 I CB -0.119 37.886 38.000 0.009 0.000 1.064 200 I HN -0.088 nan 8.210 nan 0.000 0.414 201 E N 1.471 121.687 120.200 0.027 0.000 2.012 201 E HA -0.233 4.118 4.350 0.002 0.000 0.197 201 E C 2.280 178.903 176.600 0.038 0.000 1.007 201 E CA 1.748 58.166 56.400 0.031 0.000 0.816 201 E CB -0.196 29.517 29.700 0.023 0.000 0.762 201 E HN 0.222 nan 8.360 nan 0.000 0.451 202 R N 0.268 120.788 120.500 0.033 0.000 2.113 202 R HA -0.165 4.176 4.340 0.002 0.000 0.244 202 R C 2.550 178.887 176.300 0.062 0.000 1.142 202 R CA 1.989 58.111 56.100 0.037 0.000 0.953 202 R CB -0.356 29.962 30.300 0.029 0.000 0.860 202 R HN 0.150 nan 8.270 nan 0.000 0.438 203 K N 0.258 120.708 120.400 0.084 0.000 2.074 203 K HA -0.167 4.154 4.320 0.002 0.000 0.209 203 K C 2.180 178.907 176.600 0.212 0.000 1.048 203 K CA 2.061 58.459 56.287 0.184 0.000 0.926 203 K CB -0.297 32.275 32.500 0.120 0.000 0.713 203 K HN 0.255 nan 8.250 nan 0.000 0.444 204 V N -1.870 118.121 119.914 0.129 0.000 2.649 204 V HA -0.078 4.043 4.120 0.002 0.000 0.248 204 V C 2.045 178.156 176.094 0.029 0.000 1.054 204 V CA 1.573 63.920 62.300 0.078 0.000 1.073 204 V CB -0.899 30.968 31.823 0.074 0.000 0.699 204 V HN 0.092 nan 8.190 nan 0.000 0.463 205 T N 0.681 115.254 114.554 0.032 0.000 2.788 205 T HA -0.138 4.213 4.350 0.002 0.000 0.268 205 T C 1.939 176.642 174.700 0.005 0.000 1.044 205 T CA 2.246 64.356 62.100 0.017 0.000 1.139 205 T CB -0.468 68.412 68.868 0.020 0.000 0.867 205 T HN 0.628 nan 8.240 nan 0.000 0.454 206 T N 2.164 116.722 114.554 0.006 0.000 2.737 206 T HA 0.013 4.364 4.350 0.002 0.000 0.265 206 T C 1.878 176.545 174.700 -0.055 0.000 1.038 206 T CA 0.664 62.758 62.100 -0.009 0.000 1.144 206 T CB -0.421 68.457 68.868 0.017 0.000 0.866 206 T HN 0.108 nan 8.240 nan 0.000 0.434 207 L N 1.747 122.898 121.223 -0.120 0.000 1.971 207 L HA -0.178 4.163 4.340 0.002 0.000 0.215 207 L C 2.782 179.606 176.870 -0.075 0.000 1.072 207 L CA 2.582 57.312 54.840 -0.185 0.000 0.758 207 L CB -1.426 40.466 42.059 -0.278 0.000 0.889 207 L HN 0.466 nan 8.230 nan 0.000 0.433 208 T N -2.479 112.051 114.554 -0.039 0.000 2.635 208 T HA -0.302 4.049 4.350 0.002 0.000 0.267 208 T C 2.039 176.733 174.700 -0.009 0.000 1.040 208 T CA 1.625 63.718 62.100 -0.011 0.000 1.156 208 T CB -0.735 68.133 68.868 -0.000 0.000 0.863 208 T HN 0.378 nan 8.240 nan 0.000 0.430 209 R N 1.992 122.485 120.500 -0.011 0.000 2.241 209 R HA 0.042 4.383 4.340 0.002 0.000 0.224 209 R C 1.205 177.499 176.300 -0.009 0.000 1.101 209 R CA 0.861 56.957 56.100 -0.007 0.000 0.995 209 R CB -0.279 30.019 30.300 -0.004 0.000 0.870 209 R HN 0.636 nan 8.270 nan 0.000 0.463 210 S N -0.974 114.715 115.700 -0.018 0.000 2.499 210 S HA 0.233 4.704 4.470 0.002 0.000 0.279 210 S C 1.061 175.655 174.600 -0.009 0.000 1.219 210 S CA -0.607 57.582 58.200 -0.018 0.000 1.062 210 S CB 1.969 65.148 63.200 -0.034 0.000 0.978 210 S HN 0.204 nan 8.310 nan 0.000 0.489 211 G N 1.944 110.742 108.800 -0.002 0.000 2.843 211 G HA2 -0.057 3.904 3.960 0.002 0.000 0.205 211 G HA3 -0.057 3.904 3.960 0.002 0.000 0.205 211 G C 0.881 175.789 174.900 0.013 0.000 1.160 211 G CA 0.059 45.162 45.100 0.005 0.000 0.819 211 G HN 0.898 nan 8.290 nan 0.000 0.516 212 E N -0.553 119.653 120.200 0.010 0.000 2.265 212 E HA -0.008 4.343 4.350 0.002 0.000 0.196 212 E C 0.713 177.360 176.600 0.078 0.000 0.996 212 E CA 0.092 56.510 56.400 0.029 0.000 0.832 212 E CB 0.038 29.736 29.700 -0.003 0.000 0.756 212 E HN 0.405 nan 8.360 nan 0.000 0.491 213 L N 3.052 124.310 121.223 0.058 0.000 2.349 213 L HA 0.159 4.500 4.340 0.002 0.000 0.275 213 L C -2.022 174.861 176.870 0.022 0.000 1.115 213 L CA -2.012 52.864 54.840 0.059 0.000 0.820 213 L CB 0.398 42.478 42.059 0.035 0.000 1.135 213 L HN -0.152 nan 8.230 nan 0.000 0.445 214 P HA -0.004 nan 4.420 nan 0.000 0.269 214 P C 0.070 177.364 177.300 -0.011 0.000 1.263 214 P CA 0.087 63.167 63.100 -0.034 0.000 0.813 214 P CB 0.656 32.301 31.700 -0.091 0.000 0.868 215 V N -0.295 119.622 119.914 0.005 0.000 2.991 215 V HA 0.192 4.313 4.120 0.002 0.000 0.355 215 V C 1.022 177.113 176.094 -0.005 0.000 1.384 215 V CA -0.088 62.236 62.300 0.039 0.000 1.171 215 V CB -0.022 31.837 31.823 0.061 0.000 1.190 215 V HN 0.183 nan 8.190 nan 0.000 0.540 216 D N 2.006 122.371 120.400 -0.058 0.000 2.149 216 D HA -0.154 4.487 4.640 0.002 0.000 0.198 216 D C 1.340 177.546 176.300 -0.157 0.000 0.990 216 D CA 1.821 55.769 54.000 -0.087 0.000 0.839 216 D CB 0.136 40.881 40.800 -0.091 0.000 0.948 216 D HN 0.626 nan 8.370 nan 0.000 0.460 217 N N -0.758 117.755 118.700 -0.311 0.000 2.353 217 N HA 0.037 4.778 4.740 0.002 0.000 0.185 217 N C 0.900 176.049 175.510 -0.602 0.000 1.098 217 N CA 0.134 52.801 53.050 -0.639 0.000 0.872 217 N CB 0.447 38.189 38.487 -1.241 0.000 0.970 217 N HN 0.237 nan 8.380 nan 0.000 0.467 218 F N -0.498 119.396 119.950 -0.092 0.000 2.784 218 F HA 0.242 4.770 4.527 0.001 0.000 0.323 218 F C 1.792 177.602 175.800 0.017 0.000 1.085 218 F CA -0.056 57.954 58.000 0.017 0.000 1.196 218 F CB 0.969 39.986 39.000 0.029 0.000 1.053 218 F HN 0.025 nan 8.300 nan 0.000 0.578 219 G N 1.177 110.067 108.800 0.150 0.000 2.435 219 G HA2 -0.325 3.636 3.960 0.002 0.000 0.245 219 G HA3 -0.325 3.636 3.960 0.002 0.000 0.245 219 G C 0.109 175.057 174.900 0.080 0.000 1.073 219 G CA 0.569 45.721 45.100 0.088 0.000 0.638 219 G HN 0.630 nan 8.290 nan 0.000 0.521 220 V N -3.516 116.467 119.914 0.115 0.000 3.114 220 V HA 0.843 4.964 4.120 0.002 0.000 0.308 220 V C -2.785 173.350 176.094 0.069 0.000 1.168 220 V CA -2.460 59.880 62.300 0.067 0.000 1.015 220 V CB 1.917 33.762 31.823 0.037 0.000 1.050 220 V HN 0.088 nan 8.190 nan 0.000 0.433 221 P HA 0.314 nan 4.420 nan 0.000 0.268 221 P C -0.043 177.236 177.300 -0.034 0.000 1.205 221 P CA 0.086 63.199 63.100 0.022 0.000 0.771 221 P CB 0.985 32.693 31.700 0.014 0.000 0.858 222 L N 2.978 124.164 121.223 -0.062 0.000 2.766 222 L HA 0.341 4.682 4.340 0.002 0.000 0.241 222 L C 2.023 178.847 176.870 -0.075 0.000 1.080 222 L CA 1.113 55.858 54.840 -0.159 0.000 0.909 222 L CB -0.949 40.850 42.059 -0.433 0.000 1.277 222 L HN 0.325 nan 8.230 nan 0.000 0.510 223 A N 0.434 123.244 122.820 -0.017 0.000 1.894 223 A HA -0.203 4.118 4.320 0.002 0.000 0.220 223 A C 1.862 179.454 177.584 0.012 0.000 1.237 223 A CA 2.110 54.155 52.037 0.013 0.000 0.660 223 A CB -1.568 17.453 19.000 0.035 0.000 0.835 223 A HN 0.538 nan 8.150 nan 0.000 0.461 224 G N -1.900 106.907 108.800 0.011 0.000 3.707 224 G HA2 0.458 4.419 3.960 0.002 0.000 0.286 224 G HA3 0.458 4.419 3.960 0.002 0.000 0.286 224 G C 0.256 175.157 174.900 0.003 0.000 1.112 224 G CA 1.128 46.237 45.100 0.016 0.000 0.861 224 G HN 1.147 nan 8.290 nan 0.000 0.534 225 S N -0.706 114.985 115.700 -0.016 0.000 3.287 225 S HA 0.828 5.299 4.470 0.002 0.000 0.324 225 S C -1.306 173.265 174.600 -0.048 0.000 1.205 225 S CA -0.393 57.793 58.200 -0.024 0.000 1.020 225 S CB 1.075 64.261 63.200 -0.022 0.000 1.398 225 S HN 0.796 nan 8.310 nan 0.000 0.679 226 L N -1.494 119.695 121.223 -0.056 0.000 2.600 226 L HA 0.849 5.190 4.340 0.002 0.000 0.257 226 L C -1.646 175.181 176.870 -0.071 0.000 1.048 226 L CA -0.911 53.881 54.840 -0.081 0.000 0.869 226 L CB 1.080 43.098 42.059 -0.068 0.000 1.482 226 L HN 0.722 nan 8.230 nan 0.000 0.408 227 I N 0.661 121.184 120.570 -0.078 0.000 2.468 227 I HA 0.459 4.630 4.170 0.002 0.000 0.285 227 I C -1.989 174.135 176.117 0.012 0.000 1.039 227 I CA -1.163 60.125 61.300 -0.020 0.000 1.074 227 I CB 2.487 40.475 38.000 -0.019 0.000 1.228 227 I HN 0.537 nan 8.210 nan 0.000 0.436 228 P HA -0.023 nan 4.420 nan 0.000 0.258 228 P C -0.835 176.533 177.300 0.114 0.000 1.319 228 P CA 0.598 63.725 63.100 0.045 0.000 0.785 228 P CB -0.039 31.695 31.700 0.057 0.000 1.252 229 W N 0.689 121.977 121.300 -0.020 0.000 2.884 229 W HA 0.228 4.889 4.660 0.002 0.000 0.336 229 W C -0.336 176.197 176.519 0.024 0.000 1.038 229 W CA -0.533 56.815 57.345 0.004 0.000 1.247 229 W CB 1.507 30.974 29.460 0.011 0.000 1.351 229 W HN -0.284 nan 8.180 nan 0.000 0.446 230 I N 1.387 122.069 120.570 0.187 0.000 2.834 230 I HA -0.005 4.166 4.170 0.002 0.000 0.239 230 I C 1.160 177.430 176.117 0.254 0.000 1.073 230 I CA 0.937 62.352 61.300 0.190 0.000 1.459 230 I CB -0.977 37.079 38.000 0.095 0.000 1.288 230 I HN 0.226 nan 8.210 nan 0.000 0.455 231 D N 1.393 121.925 120.400 0.220 0.000 2.478 231 D HA 0.109 4.750 4.640 0.002 0.000 0.274 231 D C 0.147 176.635 176.300 0.314 0.000 1.234 231 D CA -0.345 53.784 54.000 0.216 0.000 1.069 231 D CB 1.139 42.027 40.800 0.147 0.000 1.113 231 D HN 0.070 nan 8.370 nan 0.000 0.571 232 K N -0.127 120.394 120.400 0.203 0.000 2.229 232 K HA -0.048 4.273 4.320 0.002 0.000 0.250 232 K C -0.006 176.777 176.600 0.304 0.000 1.016 232 K CA -0.224 56.170 56.287 0.179 0.000 0.866 232 K CB 0.315 32.859 32.500 0.074 0.000 1.028 232 K HN 0.291 nan 8.250 nan 0.000 0.514 233 Q N 1.638 121.568 119.800 0.216 0.000 2.274 233 Q HA 0.246 4.587 4.340 0.002 0.000 0.256 233 Q C -0.925 175.159 176.000 0.139 0.000 0.927 233 Q CA -0.606 55.373 55.803 0.293 0.000 0.939 233 Q CB 0.830 29.628 28.738 0.100 0.000 1.201 233 Q HN 0.545 nan 8.270 nan 0.000 0.426 234 L N 2.703 124.005 121.223 0.131 0.000 2.454 234 L HA 0.193 4.534 4.340 0.002 0.000 0.256 234 L C 0.758 177.643 176.870 0.025 0.000 1.136 234 L CA -0.755 54.086 54.840 0.002 0.000 0.804 234 L CB 0.589 42.603 42.059 -0.075 0.000 1.181 234 L HN 0.748 nan 8.230 nan 0.000 0.469 235 D N 0.185 120.574 120.400 -0.018 0.000 2.403 235 D HA -0.069 4.572 4.640 0.002 0.000 0.227 235 D C 0.231 176.546 176.300 0.025 0.000 0.995 235 D CA 0.536 54.537 54.000 0.002 0.000 0.928 235 D CB -0.142 40.649 40.800 -0.015 0.000 0.887 235 D HN 0.515 nan 8.370 nan 0.000 0.529 236 N N -2.204 116.519 118.700 0.039 0.000 2.906 236 N HA 0.269 5.010 4.740 0.002 0.000 0.327 236 N C 1.193 176.751 175.510 0.080 0.000 1.344 236 N CA -0.473 52.610 53.050 0.055 0.000 0.823 236 N CB -0.039 38.484 38.487 0.060 0.000 1.351 236 N HN -0.205 nan 8.380 nan 0.000 0.604 237 G N -1.784 107.056 108.800 0.067 0.000 2.848 237 G HA2 -0.068 3.893 3.960 0.002 0.000 0.208 237 G HA3 -0.068 3.893 3.960 0.002 0.000 0.208 237 G C 0.291 175.202 174.900 0.019 0.000 1.152 237 G CA 0.115 45.259 45.100 0.074 0.000 0.789 237 G HN 0.603 nan 8.290 nan 0.000 0.531 238 Q N 0.734 120.545 119.800 0.019 0.000 2.306 238 Q HA 0.432 4.773 4.340 0.002 0.000 0.241 238 Q C 0.080 176.046 176.000 -0.057 0.000 0.948 238 Q CA -0.410 55.372 55.803 -0.036 0.000 0.886 238 Q CB 0.988 29.772 28.738 0.077 0.000 1.227 238 Q HN 0.257 nan 8.270 nan 0.000 0.457 239 S N 1.942 117.503 115.700 -0.232 0.000 2.489 239 S HA 0.245 4.716 4.470 0.002 0.000 0.291 239 S C 0.666 175.263 174.600 -0.004 0.000 1.151 239 S CA -0.737 57.334 58.200 -0.216 0.000 1.082 239 S CB 1.703 64.371 63.200 -0.887 0.000 1.019 239 S HN 0.882 nan 8.310 nan 0.000 0.492 240 R N 1.562 122.112 120.500 0.082 0.000 2.165 240 R HA -0.247 4.094 4.340 0.002 0.000 0.254 240 R C 1.900 178.322 176.300 0.203 0.000 1.153 240 R CA 2.387 58.545 56.100 0.097 0.000 0.971 240 R CB -0.572 29.755 30.300 0.045 0.000 0.878 240 R HN 0.847 nan 8.270 nan 0.000 0.449 241 E N 0.211 120.483 120.200 0.119 0.000 2.110 241 E HA -0.193 4.158 4.350 0.002 0.000 0.193 241 E C 1.575 178.233 176.600 0.097 0.000 0.988 241 E CA 1.994 58.459 56.400 0.109 0.000 0.804 241 E CB 0.035 29.770 29.700 0.058 0.000 0.745 241 E HN 0.563 nan 8.360 nan 0.000 0.458 242 E N -0.938 119.290 120.200 0.045 0.000 2.072 242 E HA -0.117 4.234 4.350 0.002 0.000 0.190 242 E C 1.576 178.240 176.600 0.106 0.000 0.982 242 E CA 1.049 57.464 56.400 0.025 0.000 0.803 242 E CB -0.425 29.238 29.700 -0.061 0.000 0.755 242 E HN 0.463 nan 8.360 nan 0.000 0.453 243 W N 2.203 123.478 121.300 -0.041 0.000 2.364 243 W HA -0.181 4.481 4.660 0.002 0.000 0.281 243 W C 1.422 177.942 176.519 0.002 0.000 1.219 243 W CA 1.219 58.555 57.345 -0.015 0.000 1.220 243 W CB 0.185 29.641 29.460 -0.006 0.000 1.127 243 W HN -0.115 nan 8.180 nan 0.000 0.556 244 K N 0.062 120.582 120.400 0.199 0.000 2.147 244 K HA -0.090 4.231 4.320 0.002 0.000 0.205 244 K C 2.417 178.897 176.600 -0.199 0.000 1.049 244 K CA 1.224 57.481 56.287 -0.051 0.000 0.936 244 K CB -0.836 31.756 32.500 0.154 0.000 0.722 244 K HN 0.347 nan 8.250 nan 0.000 0.446 245 G N 1.354 110.094 108.800 -0.100 0.000 2.514 245 G HA2 -0.354 3.607 3.960 0.002 0.000 0.217 245 G HA3 -0.354 3.607 3.960 0.002 0.000 0.217 245 G C 1.405 176.225 174.900 -0.134 0.000 1.198 245 G CA 0.909 45.966 45.100 -0.072 0.000 0.780 245 G HN 0.330 nan 8.290 nan 0.000 0.565 246 Q N -0.092 119.590 119.800 -0.196 0.000 2.049 246 Q HA 0.051 4.392 4.340 0.002 0.000 0.198 246 Q C 2.958 178.786 176.000 -0.286 0.000 0.971 246 Q CA 1.284 56.972 55.803 -0.192 0.000 0.833 246 Q CB -0.277 28.359 28.738 -0.171 0.000 0.896 246 Q HN 0.412 nan 8.270 nan 0.000 0.434 247 A N 1.372 123.869 122.820 -0.537 0.000 1.859 247 A HA -0.263 4.058 4.320 0.002 0.000 0.217 247 A C 1.822 179.211 177.584 -0.325 0.000 1.198 247 A CA 1.945 53.650 52.037 -0.554 0.000 0.629 247 A CB -0.725 17.592 19.000 -1.138 0.000 0.830 247 A HN 0.530 nan 8.150 nan 0.000 0.446 248 E N -1.123 118.895 120.200 -0.305 0.000 2.106 248 E HA -0.122 4.229 4.350 0.002 0.000 0.192 248 E C 2.084 178.595 176.600 -0.148 0.000 0.984 248 E CA 1.410 57.709 56.400 -0.169 0.000 0.806 248 E CB -0.453 29.175 29.700 -0.120 0.000 0.750 248 E HN 0.572 nan 8.360 nan 0.000 0.458 249 T N 1.515 115.969 114.554 -0.166 0.000 2.720 249 T HA -0.126 4.225 4.350 0.002 0.000 0.268 249 T C 1.622 176.223 174.700 -0.164 0.000 1.037 249 T CA 1.150 63.135 62.100 -0.193 0.000 1.144 249 T CB -0.206 68.555 68.868 -0.179 0.000 0.864 249 T HN 0.210 nan 8.240 nan 0.000 0.444 250 N N 0.485 119.114 118.700 -0.118 0.000 2.270 250 N HA -0.059 4.683 4.740 0.002 0.000 0.181 250 N C 1.970 177.440 175.510 -0.067 0.000 1.016 250 N CA 0.847 53.852 53.050 -0.075 0.000 0.870 250 N CB -0.055 38.397 38.487 -0.058 0.000 0.979 250 N HN 0.380 nan 8.380 nan 0.000 0.431 251 K N 1.858 122.212 120.400 -0.077 0.000 2.001 251 K HA -0.002 4.319 4.320 0.002 0.000 0.208 251 K C 2.063 178.637 176.600 -0.043 0.000 1.048 251 K CA 0.814 57.071 56.287 -0.050 0.000 0.932 251 K CB -0.117 32.355 32.500 -0.047 0.000 0.715 251 K HN 0.002 nan 8.250 nan 0.000 0.437 252 I N 1.106 121.638 120.570 -0.064 0.000 2.091 252 I HA -0.312 3.859 4.170 0.002 0.000 0.239 252 I C 2.183 178.264 176.117 -0.060 0.000 1.061 252 I CA 1.474 62.738 61.300 -0.060 0.000 1.317 252 I CB -0.399 37.543 38.000 -0.097 0.000 1.031 252 I HN 0.214 nan 8.210 nan 0.000 0.401 253 L N 0.172 121.340 121.223 -0.092 0.000 2.376 253 L HA -0.105 4.236 4.340 0.002 0.000 0.219 253 L C 0.607 177.461 176.870 -0.026 0.000 1.133 253 L CA 0.452 55.251 54.840 -0.070 0.000 0.816 253 L CB -0.825 41.173 42.059 -0.101 0.000 0.933 253 L HN 0.477 nan 8.230 nan 0.000 0.449 254 N N 0.786 119.472 118.700 -0.024 0.000 2.696 254 N HA -0.158 4.583 4.740 0.002 0.000 0.256 254 N C 0.215 175.725 175.510 0.000 0.000 1.031 254 N CA 0.718 53.764 53.050 -0.007 0.000 0.730 254 N CB -0.674 37.815 38.487 0.003 0.000 0.894 254 N HN 0.462 nan 8.380 nan 0.000 0.544 255 T N -2.756 111.797 114.554 -0.002 0.000 2.918 255 T HA 0.301 4.652 4.350 0.002 0.000 0.302 255 T C 1.523 176.230 174.700 0.013 0.000 1.045 255 T CA -0.053 62.054 62.100 0.013 0.000 1.114 255 T CB 1.528 70.409 68.868 0.022 0.000 0.965 255 T HN 0.469 nan 8.240 nan 0.000 0.540 256 S N 1.491 117.202 115.700 0.017 0.000 2.436 256 S HA 0.122 4.593 4.470 0.002 0.000 0.228 256 S C 0.645 175.255 174.600 0.016 0.000 1.014 256 S CA 0.013 58.222 58.200 0.015 0.000 0.950 256 S CB -0.151 63.058 63.200 0.015 0.000 0.784 256 S HN 0.697 nan 8.310 nan 0.000 0.504 257 S N 0.581 116.294 115.700 0.021 0.000 2.548 257 S HA 0.515 4.986 4.470 0.002 0.000 0.276 257 S C -0.873 173.745 174.600 0.030 0.000 1.129 257 S CA -0.745 57.469 58.200 0.024 0.000 0.931 257 S CB 2.001 65.217 63.200 0.025 0.000 1.068 257 S HN 0.242 nan 8.310 nan 0.000 0.480 258 V N 3.809 123.738 119.914 0.025 0.000 2.625 258 V HA -0.013 4.108 4.120 0.002 0.000 0.305 258 V C 0.027 176.152 176.094 0.052 0.000 1.055 258 V CA 0.721 63.037 62.300 0.026 0.000 1.209 258 V CB -0.481 31.352 31.823 0.016 0.000 0.877 258 V HN 0.677 nan 8.190 nan 0.000 0.489 259 I N 8.100 128.712 120.570 0.070 0.000 2.291 259 I HA 0.274 4.445 4.170 0.002 0.000 0.290 259 I C -2.103 174.092 176.117 0.129 0.000 1.050 259 I CA -1.997 59.375 61.300 0.120 0.000 1.245 259 I CB 1.447 39.552 38.000 0.175 0.000 1.405 259 I HN 0.458 nan 8.210 nan 0.000 0.478 260 P HA -0.020 nan 4.420 nan 0.000 0.258 260 P C -0.827 176.571 177.300 0.164 0.000 1.187 260 P CA 0.310 63.481 63.100 0.117 0.000 0.767 260 P CB 0.267 32.028 31.700 0.101 0.000 0.770 261 V N 4.502 124.472 119.914 0.094 0.000 2.531 261 V HA 0.588 4.709 4.120 0.002 0.000 0.301 261 V C -0.196 175.927 176.094 0.049 0.000 1.034 261 V CA -0.201 62.171 62.300 0.119 0.000 0.865 261 V CB 2.237 34.124 31.823 0.107 0.000 0.995 261 V HN 0.450 nan 8.190 nan 0.000 0.424 262 D N 1.596 122.032 120.400 0.061 0.000 2.653 262 D HA 0.782 5.423 4.640 0.002 0.000 0.258 262 D C -0.083 176.224 176.300 0.012 0.000 1.252 262 D CA 0.793 54.797 54.000 0.007 0.000 0.777 262 D CB 2.526 43.302 40.800 -0.041 0.000 1.339 262 D HN 0.888 nan 8.370 nan 0.000 0.422 263 G N -0.390 108.393 108.800 -0.028 0.000 2.404 263 G HA2 0.376 4.337 3.960 0.002 0.000 0.253 263 G HA3 0.376 4.337 3.960 0.002 0.000 0.253 263 G C -1.997 172.850 174.900 -0.089 0.000 1.253 263 G CA -0.643 44.431 45.100 -0.044 0.000 0.917 263 G HN 0.446 nan 8.290 nan 0.000 0.480 264 L N 0.143 121.301 121.223 -0.108 0.000 2.376 264 L HA 0.563 4.904 4.340 0.002 0.000 0.275 264 L C -0.493 176.280 176.870 -0.161 0.000 0.987 264 L CA -0.607 54.142 54.840 -0.151 0.000 0.828 264 L CB 2.118 44.089 42.059 -0.147 0.000 1.249 264 L HN 0.613 nan 8.230 nan 0.000 0.409 265 C N 3.743 122.944 119.300 -0.166 0.000 2.246 265 C HA 0.638 5.099 4.460 0.002 0.000 0.329 265 C C 0.333 175.236 174.990 -0.146 0.000 1.221 265 C CA -0.801 58.133 59.018 -0.140 0.000 1.697 265 C CB 0.129 27.814 27.740 -0.092 0.000 2.312 265 C HN 0.470 nan 8.230 nan 0.000 0.509 266 V N 4.110 123.917 119.914 -0.178 0.000 2.628 266 V HA 0.540 4.661 4.120 0.002 0.000 0.306 266 V C 0.012 176.012 176.094 -0.157 0.000 1.045 266 V CA -0.810 61.391 62.300 -0.166 0.000 0.905 266 V CB 1.800 33.486 31.823 -0.228 0.000 0.997 266 V HN 0.787 nan 8.190 nan 0.000 0.436 267 R N 2.714 123.144 120.500 -0.116 0.000 2.312 267 R HA 0.717 5.058 4.340 0.002 0.000 0.311 267 R C -0.624 175.588 176.300 -0.145 0.000 1.004 267 R CA -0.254 55.769 56.100 -0.128 0.000 0.902 267 R CB 1.413 31.635 30.300 -0.129 0.000 1.073 267 R HN 0.772 nan 8.270 nan 0.000 0.457 268 V N 1.106 120.951 119.914 -0.115 0.000 3.164 268 V HA 0.666 4.787 4.120 0.002 0.000 0.313 268 V C 0.801 176.864 176.094 -0.052 0.000 1.188 268 V CA -0.339 61.919 62.300 -0.070 0.000 1.058 268 V CB 1.549 33.378 31.823 0.010 0.000 1.110 268 V HN 0.761 nan 8.190 nan 0.000 0.453 269 G N -0.105 108.684 108.800 -0.018 0.000 2.807 269 G HA2 0.300 4.261 3.960 0.002 0.000 0.207 269 G HA3 0.300 4.261 3.960 0.002 0.000 0.207 269 G C 0.642 175.565 174.900 0.038 0.000 1.151 269 G CA 0.423 45.526 45.100 0.005 0.000 0.800 269 G HN 1.524 nan 8.290 nan 0.000 0.523 270 A N -0.055 122.792 122.820 0.046 0.000 2.524 270 A HA 0.417 4.738 4.320 0.002 0.000 0.250 270 A C 1.395 179.029 177.584 0.084 0.000 1.078 270 A CA -0.296 51.782 52.037 0.068 0.000 0.761 270 A CB 0.413 19.456 19.000 0.072 0.000 1.012 270 A HN 0.275 nan 8.150 nan 0.000 0.500 271 L N 1.309 122.582 121.223 0.083 0.000 2.005 271 L HA -0.070 4.271 4.340 0.002 0.000 0.207 271 L C 2.633 179.567 176.870 0.107 0.000 1.072 271 L CA 2.154 57.048 54.840 0.091 0.000 0.744 271 L CB -0.104 41.998 42.059 0.072 0.000 0.895 271 L HN 0.954 nan 8.230 nan 0.000 0.433 272 R N -2.664 117.899 120.500 0.105 0.000 2.492 272 R HA 0.170 4.511 4.340 0.002 0.000 0.219 272 R C 0.312 176.698 176.300 0.143 0.000 0.886 272 R CA -0.114 56.053 56.100 0.111 0.000 1.003 272 R CB 0.401 30.745 30.300 0.074 0.000 1.345 272 R HN 0.197 nan 8.270 nan 0.000 0.631 273 C N 1.337 120.725 119.300 0.147 0.000 2.351 273 C HA 0.496 4.957 4.460 0.002 0.000 0.359 273 C C -0.664 174.488 174.990 0.270 0.000 1.193 273 C CA -0.476 58.645 59.018 0.171 0.000 2.270 273 C CB 0.797 28.605 27.740 0.113 0.000 2.369 273 C HN 0.426 nan 8.230 nan 0.000 0.553 274 H N 0.743 119.840 119.070 0.044 0.000 2.541 274 H HA 0.448 5.005 4.556 0.002 0.000 0.316 274 H C -0.204 175.124 175.328 -0.000 0.000 1.043 274 H CA 0.275 56.347 56.048 0.040 0.000 1.232 274 H CB 1.037 30.823 29.762 0.040 0.000 1.406 274 H HN 0.620 nan 8.280 nan 0.000 0.469 275 S N 3.398 119.110 115.700 0.021 0.000 2.537 275 S HA 0.577 5.048 4.470 0.002 0.000 0.301 275 S C -0.558 173.944 174.600 -0.163 0.000 1.092 275 S CA -1.035 57.060 58.200 -0.175 0.000 1.048 275 S CB 1.844 64.899 63.200 -0.242 0.000 1.053 275 S HN 0.557 nan 8.310 nan 0.000 0.501 276 Q N 0.537 120.067 119.800 -0.449 0.000 2.331 276 Q HA 0.669 5.010 4.340 0.002 0.000 0.272 276 Q C -1.416 174.273 176.000 -0.518 0.000 1.062 276 Q CA -0.852 54.709 55.803 -0.404 0.000 0.806 276 Q CB 2.352 30.773 28.738 -0.530 0.000 1.312 276 Q HN 0.758 nan 8.270 nan 0.000 0.431 277 A N 2.730 125.450 122.820 -0.167 0.000 2.258 277 A HA 0.734 5.055 4.320 0.002 0.000 0.316 277 A C -1.187 176.310 177.584 -0.145 0.000 1.279 277 A CA -0.339 51.795 52.037 0.163 0.000 0.876 277 A CB 0.073 19.350 19.000 0.461 0.000 1.170 277 A HN 0.566 nan 8.150 nan 0.000 0.520 278 F N 0.648 120.716 119.950 0.197 0.000 2.450 278 F HA 0.648 5.176 4.527 0.002 0.000 0.328 278 F C 0.867 176.757 175.800 0.150 0.000 1.068 278 F CA -0.343 57.749 58.000 0.152 0.000 1.007 278 F CB 2.348 41.412 39.000 0.107 0.000 1.251 278 F HN 0.354 nan 8.300 nan 0.000 0.492 279 T N 2.552 117.335 114.554 0.382 0.000 3.296 279 T HA 0.428 4.779 4.350 0.002 0.000 0.333 279 T C -0.452 174.414 174.700 0.276 0.000 1.280 279 T CA -0.319 61.961 62.100 0.300 0.000 1.558 279 T CB -0.291 68.764 68.868 0.311 0.000 0.929 279 T HN 0.246 nan 8.240 nan 0.000 0.596 280 I N 1.986 122.622 120.570 0.111 0.000 2.472 280 I HA 0.442 4.613 4.170 0.002 0.000 0.290 280 I C 0.370 176.251 176.117 -0.393 0.000 1.016 280 I CA -0.799 60.426 61.300 -0.125 0.000 1.348 280 I CB 1.092 38.985 38.000 -0.179 0.000 1.417 280 I HN 0.165 nan 8.210 nan 0.000 0.521 281 K N 7.029 126.914 120.400 -0.858 0.000 2.293 281 K HA 0.528 4.849 4.320 0.002 0.000 0.267 281 K C -1.130 175.027 176.600 -0.739 0.000 1.010 281 K CA -0.334 55.312 56.287 -1.068 0.000 0.875 281 K CB 0.631 31.976 32.500 -1.925 0.000 1.106 281 K HN 0.504 nan 8.250 nan 0.000 0.450 282 L N 4.647 125.540 121.223 -0.550 0.000 2.418 282 L HA 0.289 4.630 4.340 0.002 0.000 0.265 282 L C 1.195 177.859 176.870 -0.344 0.000 1.143 282 L CA -0.525 54.081 54.840 -0.389 0.000 0.809 282 L CB 0.877 42.758 42.059 -0.297 0.000 1.124 282 L HN 0.698 nan 8.230 nan 0.000 0.456 283 K N 0.998 121.248 120.400 -0.251 0.000 2.155 283 K HA 0.017 4.338 4.320 0.002 0.000 0.203 283 K C -0.038 176.466 176.600 -0.161 0.000 1.052 283 K CA 1.075 57.250 56.287 -0.186 0.000 0.948 283 K CB -0.009 32.411 32.500 -0.133 0.000 0.728 283 K HN 0.516 nan 8.250 nan 0.000 0.448 284 K N 0.801 121.106 120.400 -0.157 0.000 2.444 284 K HA 0.139 4.460 4.320 0.002 0.000 0.252 284 K C -1.245 175.272 176.600 -0.138 0.000 0.993 284 K CA -0.879 55.332 56.287 -0.127 0.000 0.847 284 K CB 1.414 33.857 32.500 -0.096 0.000 1.340 284 K HN -0.229 nan 8.250 nan 0.000 0.446 285 D N 1.897 122.230 120.400 -0.111 0.000 2.470 285 D HA 0.119 4.760 4.640 0.002 0.000 0.226 285 D C -0.779 175.470 176.300 -0.085 0.000 1.196 285 D CA -0.248 53.691 54.000 -0.102 0.000 0.979 285 D CB 0.035 40.789 40.800 -0.076 0.000 1.059 285 D HN 0.182 nan 8.370 nan 0.000 0.515 286 V N 3.316 123.172 119.914 -0.097 0.000 2.498 286 V HA 0.214 4.335 4.120 0.002 0.000 0.279 286 V C 0.859 176.913 176.094 -0.067 0.000 1.048 286 V CA -0.848 61.403 62.300 -0.081 0.000 0.967 286 V CB 1.102 32.868 31.823 -0.095 0.000 0.988 286 V HN 0.669 nan 8.190 nan 0.000 0.473 287 S N 5.035 120.704 115.700 -0.051 0.000 2.562 287 S HA 0.174 4.645 4.470 0.002 0.000 0.281 287 S C 1.284 175.860 174.600 -0.040 0.000 1.333 287 S CA -0.158 58.018 58.200 -0.040 0.000 1.052 287 S CB 0.509 63.690 63.200 -0.031 0.000 0.884 287 S HN 0.780 nan 8.310 nan 0.000 0.506 288 I N 2.114 122.664 120.570 -0.032 0.000 2.264 288 I HA -0.039 4.133 4.170 0.002 0.000 0.248 288 I C -1.114 174.987 176.117 -0.026 0.000 1.111 288 I CA 1.016 62.298 61.300 -0.029 0.000 1.382 288 I CB -1.005 36.985 38.000 -0.017 0.000 1.060 288 I HN 0.508 nan 8.210 nan 0.000 0.418 289 P HA -0.098 nan 4.420 nan 0.000 0.218 289 P C 1.601 178.886 177.300 -0.025 0.000 1.149 289 P CA 1.662 64.750 63.100 -0.020 0.000 0.817 289 P CB -0.131 31.558 31.700 -0.017 0.000 0.785 290 T N -0.731 113.805 114.554 -0.030 0.000 2.737 290 T HA -0.091 4.260 4.350 0.002 0.000 0.265 290 T C 1.858 176.534 174.700 -0.040 0.000 1.038 290 T CA 1.219 63.299 62.100 -0.034 0.000 1.144 290 T CB -1.079 67.765 68.868 -0.040 0.000 0.866 290 T HN -0.130 nan 8.240 nan 0.000 0.434 291 V N 1.831 121.716 119.914 -0.049 0.000 2.231 291 V HA -0.253 3.868 4.120 0.002 0.000 0.248 291 V C 2.519 178.585 176.094 -0.047 0.000 1.054 291 V CA 1.913 64.176 62.300 -0.060 0.000 1.015 291 V CB -0.715 31.066 31.823 -0.069 0.000 0.638 291 V HN 0.562 nan 8.190 nan 0.000 0.444 292 E N -0.207 119.972 120.200 -0.034 0.000 2.070 292 E HA -0.319 4.032 4.350 0.002 0.000 0.197 292 E C 2.274 178.862 176.600 -0.019 0.000 1.004 292 E CA 1.650 58.036 56.400 -0.022 0.000 0.805 292 E CB -0.228 29.464 29.700 -0.014 0.000 0.744 292 E HN 0.757 nan 8.360 nan 0.000 0.451 293 E N 0.935 121.123 120.200 -0.020 0.000 2.110 293 E HA -0.203 4.148 4.350 0.002 0.000 0.193 293 E C 2.116 178.708 176.600 -0.013 0.000 0.988 293 E CA 0.749 57.139 56.400 -0.017 0.000 0.804 293 E CB 0.004 29.693 29.700 -0.019 0.000 0.745 293 E HN 0.210 nan 8.360 nan 0.000 0.458 294 L N 0.375 121.588 121.223 -0.017 0.000 1.988 294 L HA -0.183 4.158 4.340 0.002 0.000 0.207 294 L C 2.654 179.529 176.870 0.010 0.000 1.071 294 L CA 0.948 55.783 54.840 -0.007 0.000 0.744 294 L CB -0.481 41.562 42.059 -0.027 0.000 0.893 294 L HN 0.250 nan 8.230 nan 0.000 0.433 295 L N -0.156 121.057 121.223 -0.017 0.000 2.043 295 L HA -0.262 4.079 4.340 0.002 0.000 0.212 295 L C 2.789 179.670 176.870 0.020 0.000 1.075 295 L CA 1.469 56.298 54.840 -0.018 0.000 0.752 295 L CB -0.830 41.204 42.059 -0.041 0.000 0.891 295 L HN 0.284 nan 8.230 nan 0.000 0.432 296 A N -0.354 122.471 122.820 0.009 0.000 1.968 296 A HA 0.068 4.389 4.320 0.002 0.000 0.217 296 A C 2.311 179.897 177.584 0.003 0.000 1.169 296 A CA 1.236 53.276 52.037 0.005 0.000 0.638 296 A CB -0.481 18.514 19.000 -0.008 0.000 0.812 296 A HN 0.376 nan 8.150 nan 0.000 0.446 297 A N -1.803 121.025 122.820 0.013 0.000 2.238 297 A HA 0.062 4.383 4.320 0.002 0.000 0.208 297 A C 1.742 179.339 177.584 0.021 0.000 1.177 297 A CA 0.850 52.887 52.037 0.000 0.000 0.804 297 A CB -0.752 18.245 19.000 -0.005 0.000 0.823 297 A HN 0.715 nan 8.150 nan 0.000 0.482 298 H N 0.984 120.030 119.070 -0.041 0.000 2.370 298 H HA 0.030 4.586 4.556 0.001 0.000 0.304 298 H C -0.320 174.987 175.328 -0.035 0.000 1.055 298 H CA 1.609 57.638 56.048 -0.031 0.000 1.373 298 H CB 0.286 30.037 29.762 -0.019 0.000 1.423 298 H HN 0.699 nan 8.280 nan 0.000 0.533 299 N N -0.883 117.853 118.700 0.059 0.000 2.446 299 N HA 0.144 4.885 4.740 0.002 0.000 0.272 299 N C -2.465 172.962 175.510 -0.139 0.000 1.127 299 N CA -1.339 51.697 53.050 -0.022 0.000 0.896 299 N CB 1.741 40.351 38.487 0.205 0.000 1.658 299 N HN -0.226 nan 8.380 nan 0.000 0.483 300 P HA -0.138 nan 4.420 nan 0.000 0.224 300 P C -0.036 176.910 177.300 -0.590 0.000 1.142 300 P CA 1.277 63.993 63.100 -0.640 0.000 0.778 300 P CB 0.050 31.167 31.700 -0.972 0.000 0.764 301 W N -0.385 120.926 121.300 0.019 0.000 2.907 301 W HA 0.387 5.047 4.660 0.001 0.000 0.271 301 W C 0.804 177.326 176.519 0.006 0.000 1.253 301 W CA -0.245 57.129 57.345 0.048 0.000 1.501 301 W CB -0.428 29.071 29.460 0.065 0.000 1.047 301 W HN -0.119 nan 8.180 nan 0.000 0.610 302 A N 2.631 125.541 122.820 0.150 0.000 2.444 302 A HA 0.188 4.509 4.320 0.002 0.000 0.287 302 A C 0.142 177.758 177.584 0.054 0.000 1.195 302 A CA 0.382 52.469 52.037 0.084 0.000 0.858 302 A CB -0.389 18.648 19.000 0.062 0.000 1.117 302 A HN 0.111 nan 8.150 nan 0.000 0.521 303 K N 3.631 124.070 120.400 0.064 0.000 2.307 303 K HA 0.499 4.820 4.320 0.002 0.000 0.263 303 K C -1.240 175.386 176.600 0.042 0.000 0.973 303 K CA -0.503 55.813 56.287 0.047 0.000 0.846 303 K CB 1.271 33.809 32.500 0.062 0.000 1.100 303 K HN 0.359 nan 8.250 nan 0.000 0.438 304 V N 4.919 124.850 119.914 0.028 0.000 2.455 304 V HA 0.142 4.263 4.120 0.002 0.000 0.273 304 V C -0.072 176.042 176.094 0.033 0.000 1.045 304 V CA -0.637 61.679 62.300 0.027 0.000 0.976 304 V CB 1.309 33.140 31.823 0.013 0.000 0.993 304 V HN 0.513 nan 8.190 nan 0.000 0.475 305 V N 8.495 128.436 119.914 0.045 0.000 2.427 305 V HA 0.378 4.499 4.120 0.002 0.000 0.286 305 V C -1.813 174.305 176.094 0.040 0.000 1.034 305 V CA -1.635 60.693 62.300 0.046 0.000 0.893 305 V CB 1.829 33.690 31.823 0.063 0.000 0.982 305 V HN 0.777 nan 8.190 nan 0.000 0.452 306 P HA 0.080 nan 4.420 nan 0.000 0.272 306 P C -0.301 177.014 177.300 0.024 0.000 1.223 306 P CA -0.381 62.732 63.100 0.023 0.000 0.784 306 P CB 0.559 32.269 31.700 0.016 0.000 0.923 307 N N 1.447 120.159 118.700 0.020 0.000 3.167 307 N HA -0.000 4.741 4.740 0.002 0.000 0.318 307 N C -0.762 174.753 175.510 0.009 0.000 1.268 307 N CA 0.332 53.392 53.050 0.016 0.000 1.197 307 N CB -1.249 37.246 38.487 0.014 0.000 1.464 307 N HN 0.335 nan 8.380 nan 0.000 0.555 308 D N -0.674 119.732 120.400 0.010 0.000 2.217 308 D HA 0.220 4.861 4.640 0.002 0.000 0.243 308 D C 1.132 177.433 176.300 0.001 0.000 1.054 308 D CA -0.563 53.440 54.000 0.005 0.000 0.838 308 D CB 1.169 41.974 40.800 0.008 0.000 1.162 308 D HN 0.019 nan 8.370 nan 0.000 0.472 309 R N 2.576 123.073 120.500 -0.005 0.000 2.081 309 R HA -0.130 4.211 4.340 0.002 0.000 0.235 309 R C 1.002 177.298 176.300 -0.006 0.000 1.131 309 R CA 1.294 57.388 56.100 -0.011 0.000 0.960 309 R CB 0.176 30.469 30.300 -0.012 0.000 0.856 309 R HN 0.591 nan 8.270 nan 0.000 0.436 310 E N 0.626 120.826 120.200 -0.001 0.000 2.008 310 E HA -0.149 4.202 4.350 0.002 0.000 0.191 310 E C 2.182 178.787 176.600 0.008 0.000 0.986 310 E CA 1.169 57.570 56.400 0.003 0.000 0.807 310 E CB -0.357 29.346 29.700 0.004 0.000 0.766 310 E HN 0.371 nan 8.360 nan 0.000 0.450 311 I N 1.374 121.951 120.570 0.012 0.000 2.151 311 I HA -0.303 3.868 4.170 0.002 0.000 0.243 311 I C 2.464 178.596 176.117 0.025 0.000 1.080 311 I CA 1.553 62.865 61.300 0.019 0.000 1.339 311 I CB -0.968 37.044 38.000 0.020 0.000 1.039 311 I HN 0.100 nan 8.210 nan 0.000 0.409 312 T N 1.098 115.665 114.554 0.021 0.000 2.665 312 T HA -0.240 4.111 4.350 0.002 0.000 0.268 312 T C 1.911 176.626 174.700 0.024 0.000 1.035 312 T CA 1.766 63.882 62.100 0.027 0.000 1.151 312 T CB -0.283 68.588 68.868 0.007 0.000 0.862 312 T HN 0.293 nan 8.240 nan 0.000 0.438 313 M N 0.029 119.634 119.600 0.009 0.000 2.175 313 M HA -0.021 4.460 4.480 0.002 0.000 0.264 313 M C 2.443 178.756 176.300 0.020 0.000 1.063 313 M CA 1.465 56.769 55.300 0.007 0.000 1.119 313 M CB -0.198 32.401 32.600 -0.001 0.000 1.377 313 M HN -0.016 nan 8.290 nan 0.000 0.415 314 R N -0.060 120.454 120.500 0.023 0.000 2.240 314 R HA -0.021 4.320 4.340 0.002 0.000 0.203 314 R C 1.352 177.674 176.300 0.036 0.000 1.011 314 R CA 0.897 57.013 56.100 0.027 0.000 1.007 314 R CB 0.210 30.523 30.300 0.022 0.000 0.911 314 R HN 0.491 nan 8.270 nan 0.000 0.468 315 E N -1.436 118.791 120.200 0.045 0.000 2.502 315 E HA 0.030 4.381 4.350 0.002 0.000 0.206 315 E C -0.210 176.435 176.600 0.074 0.000 0.821 315 E CA -0.228 56.206 56.400 0.056 0.000 1.354 315 E CB 0.072 29.804 29.700 0.053 0.000 1.336 315 E HN -0.024 nan 8.360 nan 0.000 0.675 316 L N 2.576 123.852 121.223 0.089 0.000 2.672 316 L HA 0.249 4.590 4.340 0.002 0.000 0.238 316 L C -0.569 176.391 176.870 0.150 0.000 1.392 316 L CA 0.715 55.637 54.840 0.136 0.000 1.238 316 L CB -0.011 42.161 42.059 0.188 0.000 1.548 316 L HN -0.026 nan 8.230 nan 0.000 0.423 317 T N -0.468 114.150 114.554 0.106 0.000 2.956 317 T HA 0.381 4.732 4.350 0.002 0.000 0.312 317 T C -2.208 172.538 174.700 0.078 0.000 1.151 317 T CA -1.286 60.870 62.100 0.094 0.000 1.024 317 T CB 1.852 70.759 68.868 0.064 0.000 1.140 317 T HN -0.039 nan 8.240 nan 0.000 0.473 318 P HA -0.130 nan 4.420 nan 0.000 0.218 318 P C 1.375 178.713 177.300 0.064 0.000 1.154 318 P CA 1.856 65.001 63.100 0.074 0.000 0.872 318 P CB 0.005 31.752 31.700 0.078 0.000 0.790 319 A N -0.434 122.420 122.820 0.056 0.000 2.024 319 A HA -0.122 4.199 4.320 0.002 0.000 0.220 319 A C 2.167 179.779 177.584 0.046 0.000 1.164 319 A CA 2.091 54.157 52.037 0.047 0.000 0.643 319 A CB -1.402 17.622 19.000 0.040 0.000 0.806 319 A HN 0.257 nan 8.150 nan 0.000 0.451 320 A N -1.032 121.819 122.820 0.052 0.000 2.308 320 A HA 0.408 4.729 4.320 0.002 0.000 0.217 320 A C 1.630 179.250 177.584 0.059 0.000 1.216 320 A CA 0.993 53.061 52.037 0.051 0.000 0.864 320 A CB -0.147 18.884 19.000 0.052 0.000 0.902 320 A HN 0.868 nan 8.150 nan 0.000 0.499 321 V N -4.577 115.376 119.914 0.064 0.000 3.137 321 V HA 0.110 4.231 4.120 0.002 0.000 0.236 321 V C 0.956 177.088 176.094 0.064 0.000 1.260 321 V CA 0.489 62.833 62.300 0.072 0.000 1.244 321 V CB -1.401 30.472 31.823 0.083 0.000 1.016 321 V HN 0.120 nan 8.190 nan 0.000 0.477 322 T N 3.143 117.733 114.554 0.059 0.000 2.542 322 T HA 0.323 4.674 4.350 0.002 0.000 0.246 322 T C 1.254 175.974 174.700 0.034 0.000 1.052 322 T CA 1.778 63.907 62.100 0.048 0.000 1.251 322 T CB -0.577 68.320 68.868 0.049 0.000 1.031 322 T HN 1.412 nan 8.240 nan 0.000 0.498 323 G N 2.823 111.636 108.800 0.021 0.000 2.184 323 G HA2 -0.202 3.759 3.960 0.002 0.000 0.206 323 G HA3 -0.202 3.759 3.960 0.002 0.000 0.206 323 G C 0.283 175.185 174.900 0.004 0.000 0.995 323 G CA 0.002 45.104 45.100 0.005 0.000 0.651 323 G HN 1.131 nan 8.290 nan 0.000 0.511 324 T N -1.548 113.022 114.554 0.027 0.000 2.940 324 T HA 0.724 5.075 4.350 0.002 0.000 0.288 324 T C 1.002 175.737 174.700 0.059 0.000 1.033 324 T CA -0.644 61.487 62.100 0.052 0.000 1.033 324 T CB 2.081 71.001 68.868 0.088 0.000 1.079 324 T HN 0.265 nan 8.240 nan 0.000 0.496 325 L N 0.978 122.260 121.223 0.099 0.000 2.611 325 L HA 0.225 4.566 4.340 0.002 0.000 0.229 325 L C 0.852 178.024 176.870 0.504 0.000 1.137 325 L CA 0.024 54.934 54.840 0.117 0.000 0.901 325 L CB -0.153 41.924 42.059 0.030 0.000 1.098 325 L HN 0.784 nan 8.230 nan 0.000 0.456 326 T N -0.272 114.507 114.554 0.375 0.000 2.889 326 T HA 0.293 4.644 4.350 0.002 0.000 0.291 326 T C 0.578 175.447 174.700 0.282 0.000 0.995 326 T CA -0.328 61.991 62.100 0.365 0.000 1.092 326 T CB 1.034 70.041 68.868 0.232 0.000 0.954 326 T HN 0.155 nan 8.240 nan 0.000 0.506 327 T N 1.009 115.707 114.554 0.241 0.000 3.331 327 T HA 0.437 4.788 4.350 0.002 0.000 0.381 327 T C -2.936 171.825 174.700 0.103 0.000 1.656 327 T CA -2.138 60.051 62.100 0.148 0.000 1.453 327 T CB 0.320 69.240 68.868 0.086 0.000 1.066 327 T HN 0.172 nan 8.240 nan 0.000 0.655 328 P HA 0.337 nan 4.420 nan 0.000 0.269 328 P C -0.669 176.670 177.300 0.065 0.000 1.215 328 P CA -0.425 62.723 63.100 0.079 0.000 0.780 328 P CB 0.722 32.473 31.700 0.085 0.000 0.898 329 V N 1.439 121.392 119.914 0.066 0.000 2.569 329 V HA 0.811 4.932 4.120 0.002 0.000 0.301 329 V C 0.437 176.587 176.094 0.093 0.000 1.044 329 V CA -0.430 61.913 62.300 0.073 0.000 0.874 329 V CB 1.596 33.439 31.823 0.034 0.000 1.002 329 V HN 0.809 nan 8.190 nan 0.000 0.424 330 G N 2.239 111.127 108.800 0.148 0.000 3.086 330 G HA2 0.660 4.621 3.960 0.002 0.000 0.282 330 G HA3 0.660 4.621 3.960 0.002 0.000 0.282 330 G C -0.334 174.663 174.900 0.161 0.000 1.343 330 G CA -0.934 44.249 45.100 0.138 0.000 0.895 330 G HN 0.518 nan 8.290 nan 0.000 0.557 331 R N -1.351 119.215 120.500 0.109 0.000 3.416 331 R HA -0.152 4.189 4.340 0.002 0.000 0.263 331 R C -0.404 175.951 176.300 0.092 0.000 1.053 331 R CA 0.290 56.441 56.100 0.084 0.000 0.705 331 R CB -2.470 27.879 30.300 0.083 0.000 1.124 331 R HN 0.383 nan 8.270 nan 0.000 0.444 332 L N 1.501 122.766 121.223 0.070 0.000 2.281 332 L HA 0.395 4.736 4.340 0.002 0.000 0.285 332 L C 0.958 177.848 176.870 0.034 0.000 1.074 332 L CA 0.007 54.878 54.840 0.052 0.000 0.817 332 L CB 0.730 42.808 42.059 0.032 0.000 1.168 332 L HN 0.329 nan 8.230 nan 0.000 0.434 333 R N 2.130 122.650 120.500 0.034 0.000 2.829 333 R HA 0.435 4.776 4.340 0.002 0.000 0.284 333 R C -1.770 174.549 176.300 0.032 0.000 1.006 333 R CA -1.211 54.904 56.100 0.025 0.000 0.844 333 R CB 0.489 30.803 30.300 0.024 0.000 1.309 333 R HN 0.007 nan 8.270 nan 0.000 0.494 334 K N 1.106 121.524 120.400 0.030 0.000 2.174 334 K HA 0.404 4.725 4.320 0.002 0.000 0.275 334 K C -0.133 176.505 176.600 0.063 0.000 1.015 334 K CA -0.470 55.847 56.287 0.049 0.000 0.933 334 K CB 0.845 33.367 32.500 0.038 0.000 1.025 334 K HN 0.474 nan 8.250 nan 0.000 0.463 335 L N 2.243 123.525 121.223 0.099 0.000 2.421 335 L HA 0.133 4.474 4.340 0.002 0.000 0.263 335 L C 1.534 178.433 176.870 0.047 0.000 1.122 335 L CA -0.529 54.349 54.840 0.065 0.000 0.804 335 L CB 0.379 42.471 42.059 0.055 0.000 1.150 335 L HN 0.512 nan 8.230 nan 0.000 0.457 336 N N 1.064 119.766 118.700 0.003 0.000 2.348 336 N HA -0.164 4.577 4.740 0.002 0.000 0.185 336 N C 1.407 176.910 175.510 -0.012 0.000 1.019 336 N CA 1.338 54.386 53.050 -0.003 0.000 0.880 336 N CB -0.248 38.229 38.487 -0.017 0.000 0.965 336 N HN 0.534 nan 8.380 nan 0.000 0.437 337 M N -0.564 118.982 119.600 -0.090 0.000 2.358 337 M HA 0.053 4.534 4.480 0.002 0.000 0.264 337 M C 1.025 177.405 176.300 0.133 0.000 1.064 337 M CA 0.726 55.925 55.300 -0.169 0.000 1.093 337 M CB -0.157 31.958 32.600 -0.809 0.000 1.401 337 M HN 0.135 nan 8.290 nan 0.000 0.440 338 G N -1.748 107.215 108.800 0.270 0.000 2.350 338 G HA2 0.171 4.132 3.960 0.002 0.000 0.304 338 G HA3 0.171 4.132 3.960 0.002 0.000 0.304 338 G C -2.766 172.272 174.900 0.229 0.000 1.421 338 G CA -0.905 44.365 45.100 0.283 0.000 0.934 338 G HN -0.136 nan 8.290 nan 0.000 0.632 339 P HA 0.055 nan 4.420 nan 0.000 0.234 339 P C 0.758 178.015 177.300 -0.072 0.000 1.167 339 P CA 0.950 64.057 63.100 0.011 0.000 0.763 339 P CB 0.362 32.056 31.700 -0.010 0.000 0.835 340 E N -0.944 119.152 120.200 -0.174 0.000 2.479 340 E HA 0.080 4.431 4.350 0.002 0.000 0.193 340 E C -0.179 176.078 176.600 -0.572 0.000 1.049 340 E CA 0.125 56.285 56.400 -0.400 0.000 0.870 340 E CB -0.016 29.365 29.700 -0.533 0.000 0.944 340 E HN 0.345 nan 8.360 nan 0.000 0.492 341 F N 1.490 121.369 119.950 -0.119 0.000 2.334 341 F HA 0.254 4.783 4.527 0.003 0.000 0.367 341 F C 0.074 175.820 175.800 -0.089 0.000 1.115 341 F CA -0.980 56.945 58.000 -0.125 0.000 1.116 341 F CB 0.739 39.703 39.000 -0.060 0.000 1.230 341 F HN -0.122 nan 8.300 nan 0.000 0.484 342 L N 3.583 124.813 121.223 0.012 0.000 2.289 342 L HA 0.595 4.936 4.340 0.002 0.000 0.285 342 L C 0.022 176.932 176.870 0.067 0.000 1.049 342 L CA 0.009 54.854 54.840 0.008 0.000 0.804 342 L CB 1.389 43.404 42.059 -0.073 0.000 1.195 342 L HN 0.489 nan 8.230 nan 0.000 0.428 343 S N 4.627 120.379 115.700 0.086 0.000 2.437 343 S HA 0.929 5.400 4.470 0.002 0.000 0.305 343 S C -0.541 174.147 174.600 0.146 0.000 1.109 343 S CA 0.078 58.357 58.200 0.132 0.000 1.099 343 S CB 0.990 64.257 63.200 0.112 0.000 1.004 343 S HN 1.132 nan 8.310 nan 0.000 0.475 344 A N 3.554 126.517 122.820 0.238 0.000 2.556 344 A HA 0.870 5.191 4.320 0.002 0.000 0.294 344 A C -1.633 176.230 177.584 0.465 0.000 1.091 344 A CA -0.682 51.520 52.037 0.275 0.000 0.704 344 A CB 1.331 20.431 19.000 0.165 0.000 1.300 344 A HN 1.064 nan 8.150 nan 0.000 0.406 345 F N 1.300 121.382 119.950 0.219 0.000 2.671 345 F HA 0.563 5.091 4.527 0.002 0.000 0.332 345 F C 0.239 176.148 175.800 0.182 0.000 1.189 345 F CA 0.102 58.211 58.000 0.182 0.000 0.988 345 F CB 1.886 40.919 39.000 0.055 0.000 1.258 345 F HN 0.817 nan 8.300 nan 0.000 0.471 346 T N 2.397 116.832 114.554 -0.198 0.000 2.952 346 T HA 0.925 5.276 4.350 0.002 0.000 0.286 346 T C -1.098 173.402 174.700 -0.333 0.000 1.024 346 T CA -0.701 61.331 62.100 -0.113 0.000 1.029 346 T CB 1.895 70.845 68.868 0.138 0.000 1.094 346 T HN 0.457 nan 8.240 nan 0.000 0.515 347 V N -0.261 119.587 119.914 -0.110 0.000 2.969 347 V HA 0.880 5.001 4.120 0.002 0.000 0.304 347 V C 0.125 176.243 176.094 0.040 0.000 1.192 347 V CA -0.523 61.739 62.300 -0.062 0.000 0.962 347 V CB 1.815 33.624 31.823 -0.022 0.000 1.045 347 V HN 1.525 nan 8.190 nan 0.000 0.428 348 G N 0.831 109.675 108.800 0.074 0.000 2.655 348 G HA2 0.475 4.436 3.960 0.002 0.000 0.296 348 G HA3 0.475 4.436 3.960 0.002 0.000 0.296 348 G C -1.975 172.988 174.900 0.105 0.000 1.485 348 G CA -0.603 44.561 45.100 0.107 0.000 0.869 348 G HN 0.608 nan 8.290 nan 0.000 0.540 349 D N 1.085 121.542 120.400 0.095 0.000 2.401 349 D HA 0.059 4.700 4.640 0.002 0.000 0.254 349 D C 1.432 177.746 176.300 0.023 0.000 1.192 349 D CA -0.227 53.805 54.000 0.053 0.000 0.885 349 D CB 1.364 42.180 40.800 0.026 0.000 1.147 349 D HN 0.452 nan 8.370 nan 0.000 0.478 350 Q N 4.393 124.166 119.800 -0.045 0.000 2.403 350 Q HA -0.013 4.328 4.340 0.002 0.000 0.203 350 Q C 0.972 176.906 176.000 -0.111 0.000 0.932 350 Q CA 0.393 56.117 55.803 -0.131 0.000 0.945 350 Q CB 0.008 28.482 28.738 -0.440 0.000 1.045 350 Q HN 0.617 nan 8.270 nan 0.000 0.511 351 L N -0.396 120.779 121.223 -0.080 0.000 2.513 351 L HA 0.167 4.508 4.340 0.002 0.000 0.222 351 L C 1.753 178.559 176.870 -0.106 0.000 1.096 351 L CA 0.184 54.976 54.840 -0.079 0.000 0.857 351 L CB 0.182 42.206 42.059 -0.058 0.000 1.026 351 L HN 0.127 nan 8.230 nan 0.000 0.469 352 L N -2.154 118.994 121.223 -0.124 0.000 2.496 352 L HA 0.013 4.354 4.340 0.002 0.000 0.189 352 L C 1.928 178.639 176.870 -0.264 0.000 1.308 352 L CA 0.780 55.470 54.840 -0.251 0.000 0.912 352 L CB -0.508 41.364 42.059 -0.312 0.000 1.148 352 L HN 0.144 nan 8.230 nan 0.000 0.537 353 W N 0.181 121.389 121.300 -0.153 0.000 2.425 353 W HA -0.066 4.595 4.660 0.002 0.000 0.277 353 W C 2.079 178.518 176.519 -0.133 0.000 1.231 353 W CA 0.710 57.946 57.345 -0.182 0.000 1.248 353 W CB -0.124 29.222 29.460 -0.189 0.000 1.117 353 W HN 0.280 nan 8.180 nan 0.000 0.568 354 G N -1.040 107.830 108.800 0.117 0.000 2.880 354 G HA2 0.285 4.246 3.960 0.002 0.000 0.209 354 G HA3 0.285 4.246 3.960 0.002 0.000 0.209 354 G C 0.702 175.596 174.900 -0.009 0.000 1.157 354 G CA 0.796 45.916 45.100 0.033 0.000 0.779 354 G HN 0.252 nan 8.290 nan 0.000 0.539 355 A N -0.180 122.625 122.820 -0.026 0.000 1.681 355 A HA 0.726 5.047 4.320 0.002 0.000 0.160 355 A C 2.190 179.735 177.584 -0.066 0.000 1.621 355 A CA 1.187 53.198 52.037 -0.044 0.000 1.937 355 A CB -0.987 17.977 19.000 -0.060 0.000 1.902 355 A HN 0.659 nan 8.150 nan 0.000 1.132 356 A N -0.271 122.486 122.820 -0.105 0.000 1.892 356 A HA -0.170 4.151 4.320 0.002 0.000 0.218 356 A C 1.795 179.262 177.584 -0.196 0.000 1.188 356 A CA 2.264 54.219 52.037 -0.137 0.000 0.631 356 A CB -0.731 18.177 19.000 -0.153 0.000 0.822 356 A HN 0.504 nan 8.150 nan 0.000 0.447 357 E N -0.472 119.539 120.200 -0.314 0.000 2.049 357 E HA -0.158 4.193 4.350 0.002 0.000 0.198 357 E C 0.024 176.465 176.600 -0.266 0.000 1.007 357 E CA 1.915 58.025 56.400 -0.483 0.000 0.809 357 E CB -1.705 27.318 29.700 -1.128 0.000 0.749 357 E HN 0.442 nan 8.360 nan 0.000 0.450 358 P HA -0.159 nan 4.420 nan 0.000 0.215 358 P C 1.729 179.009 177.300 -0.032 0.000 1.157 358 P CA 1.304 64.425 63.100 0.035 0.000 0.874 358 P CB -0.213 31.532 31.700 0.074 0.000 0.790 359 L N -1.247 119.946 121.223 -0.050 0.000 1.976 359 L HA -0.135 4.206 4.340 0.002 0.000 0.209 359 L C 2.798 179.617 176.870 -0.085 0.000 1.071 359 L CA 1.533 56.342 54.840 -0.052 0.000 0.746 359 L CB -1.184 40.853 42.059 -0.038 0.000 0.890 359 L HN -0.162 nan 8.230 nan 0.000 0.432 360 R N 0.866 121.295 120.500 -0.117 0.000 2.133 360 R HA -0.225 4.116 4.340 0.002 0.000 0.245 360 R C 2.541 178.760 176.300 -0.136 0.000 1.137 360 R CA 2.140 58.152 56.100 -0.146 0.000 0.947 360 R CB -0.227 29.951 30.300 -0.203 0.000 0.865 360 R HN 0.380 nan 8.270 nan 0.000 0.437 361 R N -0.429 119.993 120.500 -0.131 0.000 2.081 361 R HA -0.151 4.190 4.340 0.002 0.000 0.235 361 R C 2.320 178.554 176.300 -0.110 0.000 1.131 361 R CA 1.695 57.736 56.100 -0.097 0.000 0.960 361 R CB -0.369 29.902 30.300 -0.048 0.000 0.856 361 R HN 0.203 nan 8.270 nan 0.000 0.436 362 M N 0.930 120.454 119.600 -0.127 0.000 2.132 362 M HA -0.088 4.393 4.480 0.002 0.000 0.263 362 M C 1.959 178.136 176.300 -0.205 0.000 1.065 362 M CA 1.358 56.537 55.300 -0.201 0.000 1.122 362 M CB -0.321 32.150 32.600 -0.214 0.000 1.365 362 M HN 0.132 nan 8.290 nan 0.000 0.411 363 L N 0.224 121.362 121.223 -0.142 0.000 2.042 363 L HA -0.175 4.166 4.340 0.002 0.000 0.210 363 L C 2.240 179.038 176.870 -0.119 0.000 1.076 363 L CA 1.931 56.701 54.840 -0.118 0.000 0.749 363 L CB -0.772 41.243 42.059 -0.072 0.000 0.893 363 L HN 0.272 nan 8.230 nan 0.000 0.432 364 R N -0.502 119.930 120.500 -0.114 0.000 2.193 364 R HA -0.123 4.218 4.340 0.002 0.000 0.229 364 R C 2.145 178.383 176.300 -0.102 0.000 1.110 364 R CA 1.296 57.339 56.100 -0.095 0.000 0.988 364 R CB -0.284 29.964 30.300 -0.085 0.000 0.871 364 R HN 0.663 nan 8.270 nan 0.000 0.458 365 Q N 0.017 119.731 119.800 -0.142 0.000 2.123 365 Q HA -0.047 4.294 4.340 0.002 0.000 0.199 365 Q C 1.925 177.818 176.000 -0.177 0.000 0.966 365 Q CA 1.012 56.717 55.803 -0.163 0.000 0.845 365 Q CB 0.117 28.718 28.738 -0.227 0.000 0.907 365 Q HN 0.320 nan 8.270 nan 0.000 0.439 366 L N -0.168 120.927 121.223 -0.214 0.000 2.529 366 L HA 0.219 4.560 4.340 0.002 0.000 0.223 366 L C 1.160 177.979 176.870 -0.085 0.000 1.113 366 L CA -0.438 54.275 54.840 -0.211 0.000 0.861 366 L CB -0.206 41.638 42.059 -0.359 0.000 1.012 366 L HN -0.028 nan 8.230 nan 0.000 0.461 367 A N 0.000 122.779 122.820 -0.068 0.000 2.254 367 A HA 0.000 4.321 4.320 0.002 0.000 0.244 367 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 367 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 367 A HN 0.000 nan 8.150 nan 0.000 0.486