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 3glh_1_C DATA FIRST_RESID 3 DATA SEQUENCE YQVLARKWRP QTFADVVGQE HVLTALANGL SLGRIHHAYL FSGTRGVGKT DATA SEQUENCE SIARLLAKGL NCETGITATP CGVCDNCREI EQGRFVDLIE IDAASRTKVE DATA SEQUENCE DTRDLLDNVQ YAPARGRFKV YLIDEVHMLS RHSFNALLKT LEEPPEHVKF DATA SEQUENCE LLATTDPQKL PVTILSRCLQ FHLKXLDVEQ IRHQLEHILN EEHIAHEPRA DATA SEQUENCE LQLLARAAEG SLRDALSLTD QAIASGDGQV STQAVSAMLX TLDDDQALSL DATA SEQUENCE VEAMVEANGE RVMALINEAA ARGIEWEALL VEMLGLLHRI AMVQLSPAAL DATA SEQUENCE GNDMAAIELR MRELARTIPP TDIQLYYQTL LIGRKELPYA PDRRMGVEMT DATA SEQUENCE LLRALAFHPR MPLPEP 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 3 Y HA 0.000 nan 4.550 nan 0.000 0.201 3 Y C 0.000 175.913 175.900 0.021 0.000 1.272 3 Y CA 0.000 58.110 58.100 0.017 0.000 1.940 3 Y CB 0.000 38.467 38.460 0.012 0.000 1.050 4 Q N 3.273 123.175 119.800 0.171 0.000 2.825 4 Q HA 0.337 4.677 4.340 0.000 0.000 0.219 4 Q C -1.571 174.482 176.000 0.087 0.000 0.942 4 Q CA -0.811 55.037 55.803 0.074 0.000 1.147 4 Q CB 3.089 31.880 28.738 0.088 0.000 1.723 4 Q HN 0.717 nan 8.270 nan 0.000 0.541 5 V N 1.084 121.037 119.914 0.065 0.000 2.398 5 V HA 0.428 4.548 4.120 0.000 0.000 0.286 5 V C 1.370 177.525 176.094 0.102 0.000 1.026 5 V CA -0.659 61.683 62.300 0.070 0.000 0.868 5 V CB 0.897 32.747 31.823 0.044 0.000 0.982 5 V HN 0.942 nan 8.190 nan 0.000 0.443 6 L N 3.330 124.628 121.223 0.126 0.000 2.123 6 L HA -0.295 4.045 4.340 0.000 0.000 0.217 6 L C 2.782 179.766 176.870 0.191 0.000 1.081 6 L CA 2.282 57.242 54.840 0.201 0.000 0.772 6 L CB -0.832 41.222 42.059 -0.008 0.000 0.890 6 L HN 0.898 nan 8.230 nan 0.000 0.437 7 A N -0.511 122.362 122.820 0.088 0.000 2.131 7 A HA -0.220 4.100 4.320 0.000 0.000 0.220 7 A C 2.501 180.136 177.584 0.085 0.000 1.158 7 A CA 1.895 53.974 52.037 0.069 0.000 0.665 7 A CB -0.490 18.529 19.000 0.032 0.000 0.795 7 A HN 0.489 nan 8.150 nan 0.000 0.460 8 R N -0.930 119.624 120.500 0.090 0.000 2.191 8 R HA 0.124 4.464 4.340 0.000 0.000 0.196 8 R C 2.018 178.350 176.300 0.054 0.000 0.991 8 R CA 0.747 56.878 56.100 0.052 0.000 1.075 8 R CB -0.183 30.124 30.300 0.011 0.000 1.040 8 R HN 0.385 nan 8.270 nan 0.000 0.526 9 K N -0.400 120.061 120.400 0.101 0.000 2.283 9 K HA -0.115 4.205 4.320 0.000 0.000 0.202 9 K C 0.129 176.650 176.600 -0.132 0.000 1.048 9 K CA 1.098 57.388 56.287 0.005 0.000 0.948 9 K CB 0.139 32.681 32.500 0.071 0.000 0.742 9 K HN 0.213 nan 8.250 nan 0.000 0.458 10 W N 1.056 122.345 121.300 -0.019 0.000 2.846 10 W HA 0.303 4.964 4.660 0.000 0.000 0.391 10 W C -0.201 176.309 176.519 -0.015 0.000 1.011 10 W CA -0.754 56.583 57.345 -0.013 0.000 1.832 10 W CB 0.320 29.774 29.460 -0.009 0.000 1.151 10 W HN -0.173 nan 8.180 nan 0.000 0.582 11 R N 2.633 123.212 120.500 0.133 0.000 2.483 11 R HA 0.055 4.395 4.340 0.000 0.000 0.329 11 R C -2.128 174.199 176.300 0.045 0.000 0.961 11 R CA -1.219 54.924 56.100 0.072 0.000 1.041 11 R CB 0.136 30.454 30.300 0.031 0.000 0.930 11 R HN -0.222 nan 8.270 nan 0.000 0.413 12 P HA -0.139 nan 4.420 nan 0.000 0.257 12 P C -0.322 176.987 177.300 0.014 0.000 1.162 12 P CA 0.475 63.599 63.100 0.040 0.000 0.762 12 P CB 0.672 32.394 31.700 0.037 0.000 0.753 13 Q N 0.790 120.590 119.800 -0.000 0.000 2.396 13 Q HA 0.100 4.440 4.340 0.000 0.000 0.220 13 Q C 0.447 176.434 176.000 -0.023 0.000 0.900 13 Q CA 1.140 56.928 55.803 -0.026 0.000 0.925 13 Q CB 0.388 29.096 28.738 -0.050 0.000 1.065 13 Q HN 0.431 nan 8.270 nan 0.000 0.535 14 T N -0.051 114.509 114.554 0.010 0.000 2.930 14 T HA 0.329 4.680 4.350 0.000 0.000 0.290 14 T C 0.311 175.104 174.700 0.155 0.000 1.052 14 T CA -0.640 61.477 62.100 0.028 0.000 1.017 14 T CB 0.907 69.782 68.868 0.011 0.000 1.137 14 T HN -0.159 nan 8.240 nan 0.000 0.511 15 F N 1.111 121.020 119.950 -0.067 0.000 2.451 15 F HA 0.087 4.614 4.527 0.000 0.000 0.299 15 F C 2.375 178.135 175.800 -0.067 0.000 1.101 15 F CA 0.216 58.168 58.000 -0.079 0.000 1.436 15 F CB -1.032 37.918 39.000 -0.084 0.000 1.074 15 F HN 0.719 nan 8.300 nan 0.000 0.553 16 A N -0.512 122.389 122.820 0.135 0.000 1.975 16 A HA -0.085 4.235 4.320 0.000 0.000 0.215 16 A C 1.952 179.557 177.584 0.035 0.000 1.170 16 A CA 1.283 53.352 52.037 0.055 0.000 0.656 16 A CB -0.468 18.558 19.000 0.042 0.000 0.821 16 A HN 0.170 nan 8.150 nan 0.000 0.449 17 D N 0.075 120.505 120.400 0.051 0.000 2.219 17 D HA -0.011 4.629 4.640 0.000 0.000 0.205 17 D C 0.825 177.152 176.300 0.044 0.000 0.970 17 D CA 0.479 54.514 54.000 0.058 0.000 0.851 17 D CB -0.394 40.443 40.800 0.062 0.000 0.943 17 D HN 0.206 nan 8.370 nan 0.000 0.488 18 V N 1.251 121.170 119.914 0.009 0.000 2.963 18 V HA 0.025 4.145 4.120 0.000 0.000 0.306 18 V C 0.708 176.774 176.094 -0.046 0.000 1.077 18 V CA -0.311 61.969 62.300 -0.033 0.000 1.124 18 V CB 1.662 33.423 31.823 -0.102 0.000 0.987 18 V HN -0.173 nan 8.190 nan 0.000 0.487 19 V N 2.749 122.633 119.914 -0.050 0.000 2.532 19 V HA 0.625 4.746 4.120 0.000 0.000 0.295 19 V C 1.430 177.478 176.094 -0.076 0.000 1.041 19 V CA 0.406 62.673 62.300 -0.053 0.000 0.926 19 V CB 0.636 32.439 31.823 -0.034 0.000 0.992 19 V HN 1.151 nan 8.190 nan 0.000 0.457 20 G N 2.976 111.727 108.800 -0.081 0.000 2.524 20 G HA2 -0.367 3.594 3.960 0.000 0.000 0.252 20 G HA3 -0.367 3.594 3.960 0.000 0.000 0.252 20 G C 0.605 175.442 174.900 -0.104 0.000 0.990 20 G CA 1.071 46.118 45.100 -0.089 0.000 0.653 20 G HN 0.776 nan 8.290 nan 0.000 0.576 21 Q N 0.726 120.457 119.800 -0.116 0.000 3.170 21 Q HA 0.303 4.644 4.340 0.000 0.000 0.346 21 Q C 1.480 177.374 176.000 -0.176 0.000 1.333 21 Q CA 0.017 55.748 55.803 -0.119 0.000 0.958 21 Q CB 0.038 28.709 28.738 -0.112 0.000 1.600 21 Q HN 0.733 nan 8.270 nan 0.000 0.482 22 E N 0.360 120.428 120.200 -0.219 0.000 2.068 22 E HA -0.260 4.091 4.350 0.000 0.000 0.207 22 E C 1.227 177.649 176.600 -0.297 0.000 1.032 22 E CA 1.310 57.523 56.400 -0.311 0.000 0.839 22 E CB -0.075 29.341 29.700 -0.474 0.000 0.758 22 E HN 0.601 nan 8.360 nan 0.000 0.457 23 H N -0.453 118.573 119.070 -0.074 0.000 2.518 23 H HA -0.035 4.521 4.556 0.000 0.000 0.289 23 H C 1.953 177.221 175.328 -0.100 0.000 1.051 23 H CA 0.813 56.830 56.048 -0.052 0.000 1.280 23 H CB 0.090 29.851 29.762 -0.000 0.000 1.380 23 H HN 0.058 nan 8.280 nan 0.000 0.566 24 V N 0.379 120.225 119.914 -0.113 0.000 3.307 24 V HA -0.047 4.073 4.120 0.000 0.000 0.253 24 V C 2.417 178.225 176.094 -0.476 0.000 1.149 24 V CA 0.410 62.497 62.300 -0.355 0.000 1.112 24 V CB 0.075 31.705 31.823 -0.320 0.000 0.777 24 V HN 0.221 nan 8.190 nan 0.000 0.464 25 L N -0.396 120.590 121.223 -0.395 0.000 2.127 25 L HA -0.062 4.278 4.340 0.000 0.000 0.203 25 L C 2.609 179.298 176.870 -0.302 0.000 1.080 25 L CA 1.531 56.058 54.840 -0.522 0.000 0.768 25 L CB -0.962 40.819 42.059 -0.464 0.000 0.924 25 L HN 0.291 nan 8.230 nan 0.000 0.444 26 T N 0.423 114.878 114.554 -0.165 0.000 2.684 26 T HA -0.213 4.137 4.350 0.000 0.000 0.267 26 T C 2.060 176.753 174.700 -0.011 0.000 1.036 26 T CA 1.454 63.527 62.100 -0.045 0.000 1.148 26 T CB -0.309 68.570 68.868 0.019 0.000 0.863 26 T HN 0.425 nan 8.240 nan 0.000 0.436 27 A N 1.386 124.183 122.820 -0.038 0.000 1.892 27 A HA -0.048 4.272 4.320 0.000 0.000 0.218 27 A C 2.302 179.900 177.584 0.024 0.000 1.188 27 A CA 1.420 53.474 52.037 0.028 0.000 0.631 27 A CB -0.938 18.075 19.000 0.022 0.000 0.822 27 A HN 0.500 nan 8.150 nan 0.000 0.447 28 L N -1.067 120.091 121.223 -0.108 0.000 2.291 28 L HA -0.107 4.233 4.340 0.000 0.000 0.214 28 L C 2.982 179.951 176.870 0.165 0.000 1.120 28 L CA 0.618 55.461 54.840 0.004 0.000 0.799 28 L CB -0.502 41.509 42.059 -0.080 0.000 0.925 28 L HN 0.476 nan 8.230 nan 0.000 0.446 29 A N 0.372 123.279 122.820 0.145 0.000 1.855 29 A HA -0.209 4.111 4.320 0.000 0.000 0.215 29 A C 2.051 179.702 177.584 0.113 0.000 1.191 29 A CA 1.765 53.906 52.037 0.173 0.000 0.613 29 A CB -0.526 18.552 19.000 0.130 0.000 0.829 29 A HN 0.352 nan 8.150 nan 0.000 0.442 30 N N 0.185 118.944 118.700 0.099 0.000 2.007 30 N HA -0.142 4.598 4.740 0.000 0.000 0.197 30 N C 1.853 177.426 175.510 0.106 0.000 1.050 30 N CA 1.930 55.037 53.050 0.096 0.000 0.856 30 N CB -0.970 37.579 38.487 0.102 0.000 1.050 30 N HN 0.420 nan 8.380 nan 0.000 0.423 31 G N 0.485 109.367 108.800 0.137 0.000 2.450 31 G HA2 -0.175 3.786 3.960 0.000 0.000 0.220 31 G HA3 -0.175 3.786 3.960 0.000 0.000 0.220 31 G C 1.498 176.468 174.900 0.117 0.000 1.130 31 G CA 0.436 45.630 45.100 0.156 0.000 0.760 31 G HN 0.302 nan 8.290 nan 0.000 0.557 32 L N 0.611 121.890 121.223 0.093 0.000 2.478 32 L HA 0.070 4.410 4.340 0.000 0.000 0.223 32 L C 2.651 179.546 176.870 0.041 0.000 1.140 32 L CA 0.393 55.262 54.840 0.049 0.000 0.842 32 L CB 0.153 42.217 42.059 0.008 0.000 0.953 32 L HN 0.196 nan 8.230 nan 0.000 0.452 33 S N -0.439 115.294 115.700 0.055 0.000 2.444 33 S HA 0.111 4.581 4.470 0.000 0.000 0.223 33 S C 1.682 176.313 174.600 0.052 0.000 1.054 33 S CA 0.265 58.493 58.200 0.045 0.000 0.947 33 S CB 0.059 63.287 63.200 0.046 0.000 0.850 33 S HN 0.246 nan 8.310 nan 0.000 0.527 34 L N 1.407 122.668 121.223 0.064 0.000 2.552 34 L HA 0.191 4.531 4.340 0.000 0.000 0.227 34 L C 1.583 178.495 176.870 0.069 0.000 1.146 34 L CA 0.527 55.406 54.840 0.064 0.000 0.858 34 L CB -1.004 41.098 42.059 0.071 0.000 0.969 34 L HN 0.562 nan 8.230 nan 0.000 0.451 35 G N 1.320 110.167 108.800 0.078 0.000 2.176 35 G HA2 -0.316 3.644 3.960 0.000 0.000 0.252 35 G HA3 -0.316 3.644 3.960 0.000 0.000 0.252 35 G C 0.333 175.283 174.900 0.084 0.000 1.024 35 G CA -0.105 45.047 45.100 0.085 0.000 0.755 35 G HN 0.446 nan 8.290 nan 0.000 0.507 36 R N -0.031 120.530 120.500 0.102 0.000 3.657 36 R HA 0.391 4.731 4.340 0.000 0.000 0.220 36 R C 0.487 176.885 176.300 0.165 0.000 1.548 36 R CA -0.386 55.779 56.100 0.108 0.000 1.465 36 R CB 0.351 30.740 30.300 0.148 0.000 1.330 36 R HN 0.512 nan 8.270 nan 0.000 0.707 37 I N 2.319 122.931 120.570 0.070 0.000 2.325 37 I HA 0.112 4.282 4.170 0.000 0.000 0.291 37 I C 0.120 176.151 176.117 -0.143 0.000 1.019 37 I CA -0.458 60.882 61.300 0.066 0.000 1.302 37 I CB 0.376 38.346 38.000 -0.049 0.000 1.401 37 I HN 0.450 nan 8.210 nan 0.000 0.485 38 H N 6.818 125.721 119.070 -0.278 0.000 2.525 38 H HA 0.196 4.752 4.556 0.000 0.000 0.339 38 H C 0.455 175.496 175.328 -0.478 0.000 1.109 38 H CA -0.436 55.335 56.048 -0.462 0.000 1.352 38 H CB 1.144 30.530 29.762 -0.626 0.000 1.461 38 H HN 0.664 nan 8.280 nan 0.000 0.533 39 H N 0.906 119.930 119.070 -0.076 0.000 2.521 39 H HA 0.090 4.646 4.556 0.000 0.000 0.286 39 H C 0.268 175.635 175.328 0.064 0.000 1.034 39 H CA 0.700 56.752 56.048 0.007 0.000 1.278 39 H CB 0.462 30.237 29.762 0.022 0.000 1.386 39 H HN 0.500 nan 8.280 nan 0.000 0.567 40 A N 0.395 123.219 122.820 0.006 0.000 2.429 40 A HA 0.488 4.808 4.320 0.000 0.000 0.289 40 A C -1.748 175.698 177.584 -0.230 0.000 1.043 40 A CA -0.556 51.485 52.037 0.007 0.000 0.722 40 A CB 0.895 19.898 19.000 0.006 0.000 1.243 40 A HN 0.162 nan 8.150 nan 0.000 0.415 41 Y N 1.786 122.069 120.300 -0.029 0.000 2.328 41 Y HA 0.525 5.075 4.550 0.000 0.000 0.333 41 Y C -0.204 175.445 175.900 -0.418 0.000 0.958 41 Y CA -0.569 57.382 58.100 -0.247 0.000 1.167 41 Y CB 2.033 40.350 38.460 -0.239 0.000 1.151 41 Y HN 0.677 nan 8.280 nan 0.000 0.470 42 L N 5.115 126.164 121.223 -0.291 0.000 2.272 42 L HA 0.555 4.896 4.340 0.000 0.000 0.289 42 L C -1.706 174.974 176.870 -0.317 0.000 1.032 42 L CA -0.244 54.448 54.840 -0.248 0.000 0.810 42 L CB 0.050 42.021 42.059 -0.147 0.000 1.205 42 L HN 0.355 nan 8.230 nan 0.000 0.422 43 F N 3.874 123.890 119.950 0.110 0.000 2.375 43 F HA 0.522 5.049 4.527 0.000 0.000 0.361 43 F C 0.507 176.292 175.800 -0.024 0.000 1.117 43 F CA -0.521 57.525 58.000 0.076 0.000 1.037 43 F CB 1.428 40.468 39.000 0.067 0.000 1.192 43 F HN 0.532 nan 8.300 nan 0.000 0.452 44 S N 1.730 117.453 115.700 0.038 0.000 2.681 44 S HA 1.009 5.479 4.470 0.000 0.000 0.299 44 S C -0.098 174.306 174.600 -0.326 0.000 1.113 44 S CA -0.308 57.780 58.200 -0.187 0.000 1.013 44 S CB 2.005 65.004 63.200 -0.335 0.000 1.076 44 S HN 1.349 nan 8.310 nan 0.000 0.534 45 G N 0.464 109.095 108.800 -0.281 0.000 2.326 45 G HA2 0.313 4.274 3.960 0.000 0.000 0.413 45 G HA3 0.313 4.274 3.960 0.000 0.000 0.413 45 G C -0.510 174.377 174.900 -0.022 0.000 1.444 45 G CA -0.501 44.519 45.100 -0.134 0.000 1.002 45 G HN 0.994 nan 8.290 nan 0.000 0.649 46 T N 0.116 114.688 114.554 0.029 0.000 2.716 46 T HA 0.381 4.731 4.350 0.000 0.000 0.335 46 T C 1.145 175.858 174.700 0.023 0.000 1.081 46 T CA 0.737 62.855 62.100 0.031 0.000 1.073 46 T CB 0.282 69.173 68.868 0.039 0.000 0.993 46 T HN 1.070 nan 8.240 nan 0.000 0.547 47 R N -0.254 120.263 120.500 0.028 0.000 2.582 47 R HA 0.519 4.859 4.340 0.000 0.000 0.271 47 R C 1.204 177.514 176.300 0.018 0.000 1.078 47 R CA 0.367 56.483 56.100 0.027 0.000 1.127 47 R CB -0.028 30.292 30.300 0.034 0.000 1.038 47 R HN 0.884 nan 8.270 nan 0.000 0.500 48 G N 0.545 109.352 108.800 0.012 0.000 2.308 48 G HA2 -0.246 3.714 3.960 0.000 0.000 0.221 48 G HA3 -0.246 3.714 3.960 0.000 0.000 0.221 48 G C -0.184 174.714 174.900 -0.004 0.000 1.032 48 G CA -0.047 45.056 45.100 0.005 0.000 0.623 48 G HN 0.589 nan 8.290 nan 0.000 0.506 49 V N 1.872 121.783 119.914 -0.004 0.000 2.775 49 V HA 0.533 4.653 4.120 0.000 0.000 0.299 49 V C 1.728 177.801 176.094 -0.035 0.000 1.062 49 V CA 0.539 62.830 62.300 -0.016 0.000 1.063 49 V CB 1.529 33.349 31.823 -0.005 0.000 0.994 49 V HN 0.923 nan 8.190 nan 0.000 0.483 50 G N 2.789 111.553 108.800 -0.060 0.000 3.180 50 G HA2 -0.013 3.947 3.960 0.000 0.000 0.246 50 G HA3 -0.013 3.947 3.960 0.000 0.000 0.246 50 G C 0.927 175.743 174.900 -0.141 0.000 0.939 50 G CA -0.164 44.883 45.100 -0.089 0.000 1.920 50 G HN 0.857 nan 8.290 nan 0.000 0.612 51 K N -0.008 120.332 120.400 -0.099 0.000 2.001 51 K HA -0.121 4.199 4.320 0.000 0.000 0.208 51 K C 2.938 179.455 176.600 -0.138 0.000 1.048 51 K CA 1.795 58.011 56.287 -0.118 0.000 0.932 51 K CB -0.275 32.232 32.500 0.012 0.000 0.715 51 K HN 0.472 nan 8.250 nan 0.000 0.437 52 T N -0.950 113.577 114.554 -0.046 0.000 2.737 52 T HA -0.136 4.214 4.350 0.000 0.000 0.265 52 T C 2.245 176.910 174.700 -0.060 0.000 1.038 52 T CA 1.702 63.793 62.100 -0.015 0.000 1.144 52 T CB -0.388 68.493 68.868 0.021 0.000 0.866 52 T HN 0.104 nan 8.240 nan 0.000 0.434 53 S N 0.970 116.628 115.700 -0.070 0.000 2.365 53 S HA -0.058 4.412 4.470 0.000 0.000 0.225 53 S C 2.020 176.555 174.600 -0.108 0.000 1.039 53 S CA 1.559 59.717 58.200 -0.069 0.000 1.033 53 S CB -0.699 62.466 63.200 -0.059 0.000 0.887 53 S HN 0.620 nan 8.310 nan 0.000 0.447 54 I N 1.208 121.649 120.570 -0.215 0.000 2.676 54 I HA -0.049 4.121 4.170 0.000 0.000 0.259 54 I C 2.590 178.521 176.117 -0.311 0.000 1.194 54 I CA 0.773 61.891 61.300 -0.304 0.000 1.473 54 I CB -0.441 37.248 38.000 -0.519 0.000 1.096 54 I HN 0.365 nan 8.210 nan 0.000 0.443 55 A N 0.975 123.609 122.820 -0.310 0.000 1.969 55 A HA -0.146 4.174 4.320 0.000 0.000 0.218 55 A C 2.382 179.959 177.584 -0.011 0.000 1.169 55 A CA 1.121 53.082 52.037 -0.127 0.000 0.635 55 A CB -0.379 18.639 19.000 0.029 0.000 0.810 55 A HN 0.287 nan 8.150 nan 0.000 0.445 56 R N -0.428 120.058 120.500 -0.023 0.000 2.066 56 R HA 0.029 4.369 4.340 0.000 0.000 0.232 56 R C 1.758 178.045 176.300 -0.022 0.000 1.131 56 R CA 1.367 57.459 56.100 -0.014 0.000 0.955 56 R CB -0.465 29.823 30.300 -0.019 0.000 0.851 56 R HN 0.488 nan 8.270 nan 0.000 0.432 57 L N 0.987 122.224 121.223 0.024 0.000 2.549 57 L HA -0.129 4.211 4.340 0.000 0.000 0.229 57 L C 2.073 178.910 176.870 -0.055 0.000 1.158 57 L CA 0.248 55.108 54.840 0.033 0.000 0.842 57 L CB -0.268 41.953 42.059 0.270 0.000 0.952 57 L HN 0.213 nan 8.230 nan 0.000 0.452 58 L N 0.074 121.322 121.223 0.041 0.000 2.130 58 L HA 0.108 4.448 4.340 0.000 0.000 0.200 58 L C 2.577 179.400 176.870 -0.079 0.000 1.075 58 L CA 1.642 56.485 54.840 0.005 0.000 0.768 58 L CB -0.457 41.627 42.059 0.043 0.000 0.933 58 L HN 0.051 nan 8.230 nan 0.000 0.451 59 A N -0.880 121.912 122.820 -0.046 0.000 2.121 59 A HA -0.186 4.134 4.320 0.000 0.000 0.218 59 A C 2.311 179.824 177.584 -0.118 0.000 1.154 59 A CA 1.507 53.513 52.037 -0.053 0.000 0.679 59 A CB -0.590 18.403 19.000 -0.012 0.000 0.795 59 A HN 0.465 nan 8.150 nan 0.000 0.458 60 K N -0.962 119.350 120.400 -0.147 0.000 2.365 60 K HA 0.007 4.327 4.320 0.000 0.000 0.197 60 K C 1.492 177.975 176.600 -0.196 0.000 1.042 60 K CA 0.815 56.988 56.287 -0.190 0.000 0.987 60 K CB -0.106 32.288 32.500 -0.176 0.000 0.779 60 K HN 0.423 nan 8.250 nan 0.000 0.484 61 G N -0.356 108.322 108.800 -0.202 0.000 3.062 61 G HA2 0.067 4.027 3.960 0.000 0.000 0.228 61 G HA3 0.067 4.027 3.960 0.000 0.000 0.228 61 G C 1.091 175.939 174.900 -0.087 0.000 1.094 61 G CA -0.294 44.692 45.100 -0.190 0.000 0.782 61 G HN 0.064 nan 8.290 nan 0.000 0.541 62 L N 0.172 121.362 121.223 -0.054 0.000 2.145 62 L HA 0.131 4.471 4.340 0.000 0.000 0.201 62 L C 1.995 179.024 176.870 0.266 0.000 1.075 62 L CA 0.660 55.535 54.840 0.058 0.000 0.773 62 L CB 0.018 42.029 42.059 -0.079 0.000 0.936 62 L HN 0.080 nan 8.230 nan 0.000 0.451 63 N N -0.949 117.827 118.700 0.127 0.000 2.325 63 N HA -0.007 4.733 4.740 0.000 0.000 0.182 63 N C 0.512 176.022 175.510 -0.000 0.000 1.088 63 N CA 0.019 53.131 53.050 0.104 0.000 0.879 63 N CB -0.157 38.358 38.487 0.047 0.000 0.983 63 N HN 0.197 nan 8.380 nan 0.000 0.471 64 C N 2.290 121.559 119.300 -0.052 0.000 2.502 64 C HA -0.047 4.413 4.460 0.000 0.000 0.404 64 C C 1.877 176.852 174.990 -0.025 0.000 1.409 64 C CA 0.008 58.985 59.018 -0.069 0.000 1.648 64 C CB -0.249 27.440 27.740 -0.085 0.000 2.571 64 C HN 0.461 nan 8.230 nan 0.000 0.601 65 E N 1.716 121.901 120.200 -0.026 0.000 2.268 65 E HA -0.118 4.232 4.350 0.000 0.000 0.195 65 E C 1.823 178.416 176.600 -0.011 0.000 0.995 65 E CA 1.516 57.911 56.400 -0.009 0.000 0.836 65 E CB 0.032 29.729 29.700 -0.005 0.000 0.763 65 E HN 0.864 nan 8.360 nan 0.000 0.491 66 T N 0.265 114.805 114.554 -0.022 0.000 3.113 66 T HA 0.131 4.481 4.350 0.000 0.000 0.263 66 T C 0.568 175.260 174.700 -0.013 0.000 1.143 66 T CA 0.618 62.705 62.100 -0.021 0.000 1.090 66 T CB 0.100 68.948 68.868 -0.034 0.000 0.922 66 T HN 0.426 nan 8.240 nan 0.000 0.521 67 G N 0.981 109.778 108.800 -0.004 0.000 2.479 67 G HA2 -0.082 3.879 3.960 0.000 0.000 0.686 67 G HA3 -0.082 3.879 3.960 0.000 0.000 0.686 67 G C -0.773 174.139 174.900 0.021 0.000 1.295 67 G CA -1.183 43.924 45.100 0.013 0.000 0.922 67 G HN 0.318 nan 8.290 nan 0.000 0.582 68 I N 2.175 122.778 120.570 0.054 0.000 2.576 68 I HA 0.232 4.403 4.170 0.000 0.000 0.288 68 I C 0.753 176.874 176.117 0.007 0.000 1.126 68 I CA 0.522 61.861 61.300 0.065 0.000 1.362 68 I CB -0.258 37.818 38.000 0.126 0.000 1.419 68 I HN 0.533 nan 8.210 nan 0.000 0.533 69 T N 3.717 118.244 114.554 -0.044 0.000 2.907 69 T HA 0.512 4.863 4.350 0.000 0.000 0.292 69 T C 0.682 175.285 174.700 -0.161 0.000 1.043 69 T CA -0.670 61.382 62.100 -0.081 0.000 1.003 69 T CB 2.213 71.027 68.868 -0.090 0.000 1.084 69 T HN 0.550 nan 8.240 nan 0.000 0.483 70 A N 0.663 123.394 122.820 -0.149 0.000 2.220 70 A HA 0.342 4.662 4.320 0.000 0.000 0.211 70 A C 0.985 178.395 177.584 -0.291 0.000 1.176 70 A CA 0.162 52.062 52.037 -0.228 0.000 0.834 70 A CB 0.003 18.981 19.000 -0.036 0.000 0.868 70 A HN 0.716 nan 8.150 nan 0.000 0.488 71 T N 2.580 117.022 114.554 -0.186 0.000 3.331 71 T HA 0.423 4.773 4.350 0.000 0.000 0.381 71 T C -2.888 171.724 174.700 -0.147 0.000 1.656 71 T CA -1.041 60.971 62.100 -0.147 0.000 1.453 71 T CB 0.954 69.778 68.868 -0.074 0.000 1.066 71 T HN 0.088 nan 8.240 nan 0.000 0.655 72 P HA 0.235 nan 4.420 nan 0.000 0.272 72 P C 0.089 177.321 177.300 -0.113 0.000 1.223 72 P CA -0.678 62.327 63.100 -0.158 0.000 0.784 72 P CB 0.329 31.910 31.700 -0.200 0.000 0.923 73 C N 0.439 119.684 119.300 -0.092 0.000 2.325 73 C HA 0.615 5.075 4.460 0.000 0.000 0.347 73 C C 1.769 176.714 174.990 -0.075 0.000 1.263 73 C CA -0.083 58.892 59.018 -0.071 0.000 1.806 73 C CB -0.011 27.695 27.740 -0.057 0.000 2.405 73 C HN 0.764 nan 8.230 nan 0.000 0.537 74 G N 2.245 111.004 108.800 -0.069 0.000 2.708 74 G HA2 0.080 4.040 3.960 0.000 0.000 0.210 74 G HA3 0.080 4.040 3.960 0.000 0.000 0.210 74 G C 0.962 175.826 174.900 -0.060 0.000 1.141 74 G CA 1.134 46.193 45.100 -0.069 0.000 0.788 74 G HN 1.360 nan 8.290 nan 0.000 0.531 75 V N -1.356 118.526 119.914 -0.052 0.000 3.085 75 V HA 0.129 4.249 4.120 0.000 0.000 0.245 75 V C 1.858 177.930 176.094 -0.038 0.000 1.114 75 V CA -0.186 62.090 62.300 -0.042 0.000 1.108 75 V CB -1.152 30.651 31.823 -0.034 0.000 0.798 75 V HN 0.405 nan 8.190 nan 0.000 0.471 76 C N 2.223 121.498 119.300 -0.042 0.000 2.611 76 C HA 0.099 4.559 4.460 0.000 0.000 0.416 76 C C 1.741 176.711 174.990 -0.034 0.000 1.366 76 C CA 0.285 59.282 59.018 -0.035 0.000 1.761 76 C CB -0.535 27.181 27.740 -0.039 0.000 2.619 76 C HN 0.640 nan 8.230 nan 0.000 0.606 77 D N 2.711 123.105 120.400 -0.011 0.000 2.244 77 D HA -0.182 4.458 4.640 0.000 0.000 0.197 77 D C 1.571 177.875 176.300 0.007 0.000 1.006 77 D CA 2.007 56.013 54.000 0.010 0.000 0.888 77 D CB -0.051 40.772 40.800 0.038 0.000 0.912 77 D HN 0.748 nan 8.370 nan 0.000 0.452 78 N N 0.157 118.837 118.700 -0.034 0.000 2.142 78 N HA -0.094 4.647 4.740 0.000 0.000 0.186 78 N C 2.050 177.396 175.510 -0.274 0.000 1.023 78 N CA 0.516 53.460 53.050 -0.178 0.000 0.852 78 N CB -0.764 37.604 38.487 -0.199 0.000 0.998 78 N HN 0.248 nan 8.380 nan 0.000 0.424 79 C N 1.051 120.246 119.300 -0.174 0.000 2.432 79 C HA -0.014 4.446 4.460 0.000 0.000 0.277 79 C C 2.697 177.615 174.990 -0.120 0.000 1.249 79 C CA 0.404 59.328 59.018 -0.157 0.000 1.725 79 C CB -0.821 26.849 27.740 -0.116 0.000 2.028 79 C HN 0.473 nan 8.230 nan 0.000 0.477 80 R N 0.751 121.203 120.500 -0.080 0.000 2.073 80 R HA -0.128 4.213 4.340 0.000 0.000 0.234 80 R C 2.089 178.368 176.300 -0.036 0.000 1.134 80 R CA 1.470 57.539 56.100 -0.051 0.000 0.952 80 R CB -0.393 29.889 30.300 -0.031 0.000 0.850 80 R HN 0.655 nan 8.270 nan 0.000 0.433 81 E N 0.404 120.595 120.200 -0.015 0.000 2.204 81 E HA -0.162 4.188 4.350 0.000 0.000 0.195 81 E C 1.939 178.552 176.600 0.023 0.000 0.990 81 E CA 0.902 57.332 56.400 0.049 0.000 0.821 81 E CB -0.049 29.762 29.700 0.186 0.000 0.750 81 E HN 0.387 nan 8.360 nan 0.000 0.477 82 I N 0.691 121.201 120.570 -0.100 0.000 2.286 82 I HA -0.181 3.989 4.170 0.000 0.000 0.245 82 I C 2.309 178.395 176.117 -0.053 0.000 1.104 82 I CA 0.827 62.058 61.300 -0.115 0.000 1.397 82 I CB 0.052 37.907 38.000 -0.242 0.000 1.072 82 I HN -0.021 nan 8.210 nan 0.000 0.417 83 E N 1.003 121.167 120.200 -0.059 0.000 2.478 83 E HA -0.149 4.201 4.350 0.000 0.000 0.198 83 E C 1.315 177.902 176.600 -0.021 0.000 1.046 83 E CA 0.828 57.204 56.400 -0.041 0.000 0.870 83 E CB 0.045 29.715 29.700 -0.050 0.000 0.818 83 E HN 0.479 nan 8.360 nan 0.000 0.527 84 Q N -1.531 118.263 119.800 -0.009 0.000 2.172 84 Q HA 0.265 4.605 4.340 0.000 0.000 0.217 84 Q C 0.980 176.991 176.000 0.018 0.000 0.832 84 Q CA 0.204 56.008 55.803 0.002 0.000 1.010 84 Q CB 1.055 29.795 28.738 0.003 0.000 1.133 84 Q HN 0.332 nan 8.270 nan 0.000 0.489 85 G N 2.257 111.072 108.800 0.024 0.000 2.480 85 G HA2 -0.361 3.599 3.960 0.000 0.000 0.246 85 G HA3 -0.361 3.599 3.960 0.000 0.000 0.246 85 G C 0.466 175.403 174.900 0.062 0.000 1.073 85 G CA 0.134 45.257 45.100 0.038 0.000 0.643 85 G HN 0.318 nan 8.290 nan 0.000 0.525 86 R N 0.020 120.562 120.500 0.069 0.000 2.235 86 R HA 0.591 4.931 4.340 0.000 0.000 0.338 86 R C -1.198 175.211 176.300 0.182 0.000 1.087 86 R CA -0.352 55.801 56.100 0.089 0.000 0.948 86 R CB 0.349 30.683 30.300 0.056 0.000 1.099 86 R HN 0.185 nan 8.270 nan 0.000 0.483 87 F N 2.066 122.004 119.950 -0.021 0.000 2.591 87 F HA 0.168 4.695 4.527 0.000 0.000 0.309 87 F C 0.884 176.664 175.800 -0.033 0.000 1.098 87 F CA -1.126 56.859 58.000 -0.024 0.000 0.937 87 F CB 1.348 40.335 39.000 -0.022 0.000 1.250 87 F HN 0.109 nan 8.300 nan 0.000 0.447 88 V N 2.766 122.203 119.914 -0.794 0.000 2.250 88 V HA -0.301 3.819 4.120 0.000 0.000 0.250 88 V C 1.446 177.256 176.094 -0.474 0.000 1.060 88 V CA 2.622 64.566 62.300 -0.593 0.000 1.030 88 V CB -0.383 31.059 31.823 -0.636 0.000 0.643 88 V HN 0.742 nan 8.190 nan 0.000 0.445 89 D N -0.630 119.389 120.400 -0.635 0.000 2.305 89 D HA 0.076 4.716 4.640 0.000 0.000 0.206 89 D C 0.961 177.209 176.300 -0.087 0.000 0.974 89 D CA 0.099 53.959 54.000 -0.234 0.000 0.871 89 D CB 0.092 40.851 40.800 -0.068 0.000 0.947 89 D HN 0.327 nan 8.370 nan 0.000 0.516 90 L N 2.381 123.679 121.223 0.125 0.000 2.462 90 L HA 0.192 4.532 4.340 0.000 0.000 0.283 90 L C -0.326 176.528 176.870 -0.027 0.000 1.166 90 L CA 0.022 54.922 54.840 0.099 0.000 0.964 90 L CB -0.609 41.590 42.059 0.233 0.000 1.294 90 L HN -0.131 nan 8.230 nan 0.000 0.449 91 I N 4.675 125.136 120.570 -0.182 0.000 2.308 91 I HA 0.150 4.320 4.170 0.000 0.000 0.293 91 I C 0.162 176.282 176.117 0.004 0.000 1.078 91 I CA -0.173 61.043 61.300 -0.140 0.000 1.292 91 I CB 0.309 38.123 38.000 -0.310 0.000 1.423 91 I HN 0.529 nan 8.210 nan 0.000 0.493 92 E N 7.779 128.009 120.200 0.050 0.000 2.046 92 E HA 0.454 4.804 4.350 0.000 0.000 0.279 92 E C -0.670 175.992 176.600 0.104 0.000 0.989 92 E CA -0.298 56.156 56.400 0.089 0.000 0.798 92 E CB 1.349 31.093 29.700 0.073 0.000 1.086 92 E HN 0.511 nan 8.360 nan 0.000 0.399 93 I N 2.308 122.962 120.570 0.141 0.000 2.354 93 I HA 0.177 4.347 4.170 0.000 0.000 0.292 93 I C -0.232 175.958 176.117 0.121 0.000 0.989 93 I CA -0.795 60.587 61.300 0.136 0.000 1.188 93 I CB 1.375 39.479 38.000 0.174 0.000 1.342 93 I HN 0.357 nan 8.210 nan 0.000 0.457 94 D N 5.248 125.706 120.400 0.097 0.000 2.412 94 D HA 0.366 5.006 4.640 0.000 0.000 0.224 94 D C 0.671 177.019 176.300 0.079 0.000 1.093 94 D CA -0.338 53.714 54.000 0.086 0.000 0.850 94 D CB 1.920 42.762 40.800 0.070 0.000 1.046 94 D HN 0.634 nan 8.370 nan 0.000 0.507 95 A N 3.171 126.040 122.820 0.082 0.000 2.239 95 A HA 0.182 4.503 4.320 0.000 0.000 0.209 95 A C 1.638 179.246 177.584 0.040 0.000 1.171 95 A CA 1.062 53.140 52.037 0.068 0.000 0.768 95 A CB -0.058 18.988 19.000 0.076 0.000 0.790 95 A HN 0.535 nan 8.150 nan 0.000 0.478 96 A N 0.001 122.844 122.820 0.039 0.000 2.267 96 A HA 0.346 4.666 4.320 0.000 0.000 0.213 96 A C 1.313 178.914 177.584 0.028 0.000 1.192 96 A CA 0.611 52.661 52.037 0.023 0.000 0.851 96 A CB -0.395 18.621 19.000 0.027 0.000 0.881 96 A HN 0.652 nan 8.150 nan 0.000 0.494 97 S N -0.593 115.130 115.700 0.037 0.000 2.565 97 S HA 0.423 4.893 4.470 0.000 0.000 0.276 97 S C 0.549 175.169 174.600 0.034 0.000 1.326 97 S CA -0.571 57.651 58.200 0.035 0.000 1.045 97 S CB 1.154 64.378 63.200 0.040 0.000 0.918 97 S HN 0.423 nan 8.310 nan 0.000 0.505 98 R N 0.696 121.213 120.500 0.028 0.000 2.265 98 R HA 0.131 4.471 4.340 0.000 0.000 0.194 98 R C 0.141 176.456 176.300 0.026 0.000 0.931 98 R CA 0.368 56.484 56.100 0.027 0.000 1.032 98 R CB 0.161 30.474 30.300 0.021 0.000 0.980 98 R HN 0.640 nan 8.270 nan 0.000 0.497 99 T N 1.199 115.769 114.554 0.027 0.000 3.448 99 T HA 0.212 4.562 4.350 0.000 0.000 0.271 99 T C -0.362 174.355 174.700 0.028 0.000 1.002 99 T CA -0.318 61.797 62.100 0.025 0.000 0.995 99 T CB 0.428 69.308 68.868 0.021 0.000 1.153 99 T HN -0.000 nan 8.240 nan 0.000 0.510 100 K N 0.638 121.058 120.400 0.035 0.000 2.380 100 K HA 0.238 4.558 4.320 0.000 0.000 0.267 100 K C 1.283 177.904 176.600 0.035 0.000 0.990 100 K CA -0.442 55.869 56.287 0.040 0.000 0.946 100 K CB 0.782 33.313 32.500 0.051 0.000 0.937 100 K HN -0.097 nan 8.250 nan 0.000 0.491 101 V N 1.546 121.481 119.914 0.035 0.000 2.231 101 V HA -0.259 3.862 4.120 0.000 0.000 0.248 101 V C 0.416 176.530 176.094 0.033 0.000 1.054 101 V CA 1.739 64.057 62.300 0.031 0.000 1.015 101 V CB -0.394 31.447 31.823 0.030 0.000 0.638 101 V HN 0.762 nan 8.190 nan 0.000 0.444 102 E N -0.193 120.033 120.200 0.042 0.000 2.265 102 E HA 0.268 4.618 4.350 0.000 0.000 0.262 102 E C -1.412 175.222 176.600 0.058 0.000 0.889 102 E CA -0.647 55.780 56.400 0.046 0.000 0.789 102 E CB 1.375 31.105 29.700 0.050 0.000 1.221 102 E HN 0.305 nan 8.360 nan 0.000 0.414 103 D N 1.700 122.132 120.400 0.053 0.000 2.419 103 D HA -0.046 4.594 4.640 0.000 0.000 0.236 103 D C 1.157 177.505 176.300 0.081 0.000 1.165 103 D CA 0.376 54.416 54.000 0.066 0.000 0.882 103 D CB 0.756 41.592 40.800 0.060 0.000 1.201 103 D HN 0.371 nan 8.370 nan 0.000 0.443 104 T N 1.158 115.769 114.554 0.094 0.000 2.824 104 T HA -0.347 4.003 4.350 0.000 0.000 0.259 104 T C 1.766 176.520 174.700 0.090 0.000 1.024 104 T CA 2.016 64.178 62.100 0.104 0.000 1.164 104 T CB -0.158 68.769 68.868 0.098 0.000 0.836 104 T HN 0.435 nan 8.240 nan 0.000 0.485 105 R N 0.516 121.065 120.500 0.082 0.000 2.120 105 R HA -0.120 4.220 4.340 0.000 0.000 0.234 105 R C 2.046 178.386 176.300 0.066 0.000 1.123 105 R CA 1.643 57.785 56.100 0.070 0.000 0.975 105 R CB -0.114 30.231 30.300 0.074 0.000 0.866 105 R HN 0.389 nan 8.270 nan 0.000 0.446 106 D N 0.175 120.618 120.400 0.072 0.000 2.120 106 D HA -0.095 4.545 4.640 0.000 0.000 0.202 106 D C 1.891 178.254 176.300 0.104 0.000 0.972 106 D CA 0.974 55.020 54.000 0.077 0.000 0.837 106 D CB -0.005 40.836 40.800 0.068 0.000 0.989 106 D HN 0.246 nan 8.370 nan 0.000 0.469 107 L N 0.454 121.753 121.223 0.126 0.000 2.201 107 L HA -0.046 4.294 4.340 0.000 0.000 0.212 107 L C 2.315 179.309 176.870 0.207 0.000 1.105 107 L CA 0.389 55.340 54.840 0.186 0.000 0.775 107 L CB -0.131 42.059 42.059 0.220 0.000 0.913 107 L HN 0.010 nan 8.230 nan 0.000 0.440 108 L N -0.655 120.639 121.223 0.118 0.000 2.418 108 L HA -0.114 4.226 4.340 0.000 0.000 0.218 108 L C 1.934 178.828 176.870 0.041 0.000 1.125 108 L CA 0.472 55.334 54.840 0.036 0.000 0.835 108 L CB -0.318 41.745 42.059 0.006 0.000 0.953 108 L HN 0.233 nan 8.230 nan 0.000 0.454 109 D N 0.413 120.854 120.400 0.068 0.000 2.144 109 D HA -0.193 4.447 4.640 0.000 0.000 0.199 109 D C 1.878 178.213 176.300 0.058 0.000 0.984 109 D CA 1.153 55.184 54.000 0.052 0.000 0.834 109 D CB 0.210 41.050 40.800 0.066 0.000 0.955 109 D HN 0.152 nan 8.370 nan 0.000 0.465 110 N N -0.104 118.684 118.700 0.146 0.000 2.270 110 N HA -0.110 4.630 4.740 0.000 0.000 0.181 110 N C 1.996 177.618 175.510 0.187 0.000 1.016 110 N CA 0.630 53.832 53.050 0.253 0.000 0.870 110 N CB -0.372 38.335 38.487 0.367 0.000 0.979 110 N HN 0.119 nan 8.380 nan 0.000 0.431 111 V N 2.196 122.204 119.914 0.156 0.000 2.322 111 V HA -0.363 3.757 4.120 0.000 0.000 0.258 111 V C 2.305 178.481 176.094 0.138 0.000 1.102 111 V CA 2.020 64.386 62.300 0.110 0.000 1.106 111 V CB -0.680 31.117 31.823 -0.043 0.000 0.784 111 V HN 0.422 nan 8.190 nan 0.000 0.461 112 Q N -1.782 118.033 119.800 0.025 0.000 2.368 112 Q HA -0.110 4.230 4.340 0.000 0.000 0.210 112 Q C 0.785 176.874 176.000 0.149 0.000 0.982 112 Q CA 0.947 56.773 55.803 0.037 0.000 0.884 112 Q CB -0.290 28.373 28.738 -0.125 0.000 0.933 112 Q HN 0.730 nan 8.270 nan 0.000 0.460 113 Y N 0.128 120.546 120.300 0.197 0.000 2.357 113 Y HA 0.182 4.732 4.550 0.000 0.000 0.340 113 Y C 0.886 176.818 175.900 0.053 0.000 1.260 113 Y CA -0.689 57.473 58.100 0.104 0.000 1.425 113 Y CB 0.532 39.036 38.460 0.072 0.000 1.326 113 Y HN -0.018 nan 8.280 nan 0.000 0.580 114 A N 3.766 126.664 122.820 0.130 0.000 2.371 114 A HA 0.334 4.654 4.320 0.000 0.000 0.257 114 A C -2.394 175.181 177.584 -0.016 0.000 1.089 114 A CA -1.542 50.439 52.037 -0.093 0.000 0.794 114 A CB -0.356 18.572 19.000 -0.121 0.000 1.029 114 A HN 0.473 nan 8.150 nan 0.000 0.488 115 P HA 0.268 nan 4.420 nan 0.000 0.281 115 P C 0.486 177.750 177.300 -0.061 0.000 1.286 115 P CA 0.189 63.281 63.100 -0.014 0.000 0.772 115 P CB 1.338 33.058 31.700 0.034 0.000 0.862 116 A N 4.690 127.450 122.820 -0.099 0.000 1.972 116 A HA -0.150 4.170 4.320 0.000 0.000 0.219 116 A C 2.201 179.724 177.584 -0.102 0.000 1.169 116 A CA 1.263 53.233 52.037 -0.113 0.000 0.635 116 A CB -0.383 18.532 19.000 -0.143 0.000 0.810 116 A HN 0.507 nan 8.150 nan 0.000 0.446 117 R N -2.160 118.271 120.500 -0.116 0.000 2.493 117 R HA 0.166 4.506 4.340 0.000 0.000 0.177 117 R C 1.252 177.623 176.300 0.117 0.000 0.861 117 R CA 0.586 56.672 56.100 -0.023 0.000 1.083 117 R CB 0.166 30.425 30.300 -0.068 0.000 1.328 117 R HN 0.442 nan 8.270 nan 0.000 0.615 118 G N -0.009 108.933 108.800 0.236 0.000 2.580 118 G HA2 0.133 4.093 3.960 0.000 0.000 0.278 118 G HA3 0.133 4.093 3.960 0.000 0.000 0.278 118 G C 0.343 175.310 174.900 0.113 0.000 1.212 118 G CA -0.402 44.883 45.100 0.308 0.000 0.939 118 G HN 0.179 nan 8.290 nan 0.000 0.513 119 R N -0.931 119.599 120.500 0.049 0.000 2.090 119 R HA 0.079 4.419 4.340 0.000 0.000 0.228 119 R C -0.069 176.003 176.300 -0.380 0.000 1.110 119 R CA 0.781 56.751 56.100 -0.217 0.000 0.973 119 R CB -0.034 30.069 30.300 -0.329 0.000 0.869 119 R HN 0.403 nan 8.270 nan 0.000 0.440 120 F N 0.109 120.132 119.950 0.121 0.000 2.538 120 F HA 0.360 4.887 4.527 0.000 0.000 0.325 120 F C 0.295 176.173 175.800 0.130 0.000 1.066 120 F CA -1.098 56.978 58.000 0.127 0.000 0.946 120 F CB 1.411 40.472 39.000 0.102 0.000 1.199 120 F HN -0.372 nan 8.300 nan 0.000 0.473 121 K N 2.406 122.992 120.400 0.311 0.000 2.360 121 K HA 0.448 4.768 4.320 0.000 0.000 0.235 121 K C -1.247 175.397 176.600 0.073 0.000 1.077 121 K CA -0.255 56.126 56.287 0.158 0.000 1.035 121 K CB 0.296 32.922 32.500 0.210 0.000 1.623 121 K HN 0.491 nan 8.250 nan 0.000 0.462 122 V N 3.635 123.587 119.914 0.063 0.000 2.655 122 V HA -0.023 4.097 4.120 0.000 0.000 0.300 122 V C -0.280 175.730 176.094 -0.140 0.000 1.044 122 V CA 0.137 62.457 62.300 0.034 0.000 1.095 122 V CB 0.102 31.980 31.823 0.092 0.000 0.952 122 V HN 0.478 nan 8.190 nan 0.000 0.485 123 Y N 4.299 124.580 120.300 -0.031 0.000 2.805 123 Y HA 0.435 4.985 4.550 0.000 0.000 0.339 123 Y C -0.090 175.907 175.900 0.161 0.000 1.012 123 Y CA -0.787 57.332 58.100 0.032 0.000 1.262 123 Y CB 1.395 39.803 38.460 -0.087 0.000 1.100 123 Y HN 0.579 nan 8.280 nan 0.000 0.559 124 L N 5.222 126.580 121.223 0.227 0.000 2.385 124 L HA 0.430 4.770 4.340 0.000 0.000 0.281 124 L C -0.827 176.180 176.870 0.228 0.000 1.106 124 L CA 0.104 55.076 54.840 0.221 0.000 0.856 124 L CB -0.380 41.770 42.059 0.152 0.000 1.186 124 L HN 0.381 nan 8.230 nan 0.000 0.453 125 I N 4.671 125.387 120.570 0.244 0.000 2.410 125 I HA 0.294 4.464 4.170 0.000 0.000 0.286 125 I C -0.596 175.625 176.117 0.173 0.000 1.009 125 I CA -0.710 60.713 61.300 0.205 0.000 1.111 125 I CB 1.540 39.663 38.000 0.206 0.000 1.262 125 I HN 0.489 nan 8.210 nan 0.000 0.443 126 D N 7.294 127.782 120.400 0.148 0.000 2.295 126 D HA 0.128 4.768 4.640 0.000 0.000 0.248 126 D C -0.110 176.279 176.300 0.148 0.000 1.154 126 D CA 0.303 54.386 54.000 0.138 0.000 0.857 126 D CB 0.750 41.617 40.800 0.112 0.000 1.117 126 D HN 0.555 nan 8.370 nan 0.000 0.468 127 E N 1.875 122.185 120.200 0.182 0.000 2.613 127 E HA -0.151 4.199 4.350 0.000 0.000 0.161 127 E C 1.116 177.878 176.600 0.269 0.000 1.664 127 E CA 0.261 56.833 56.400 0.285 0.000 0.661 127 E CB -0.977 28.901 29.700 0.297 0.000 1.098 127 E HN 0.406 nan 8.360 nan 0.000 0.364 128 V N -0.515 119.561 119.914 0.271 0.000 3.041 128 V HA -0.179 3.941 4.120 0.000 0.000 0.260 128 V C 2.056 178.334 176.094 0.307 0.000 1.105 128 V CA 1.678 64.100 62.300 0.204 0.000 1.125 128 V CB -0.521 31.354 31.823 0.086 0.000 0.730 128 V HN 0.708 nan 8.190 nan 0.000 0.479 129 H N -0.575 118.588 119.070 0.156 0.000 2.563 129 H HA 0.183 4.739 4.556 0.000 0.000 0.272 129 H C 1.314 176.703 175.328 0.102 0.000 1.005 129 H CA 0.682 56.827 56.048 0.162 0.000 1.171 129 H CB -0.189 29.627 29.762 0.090 0.000 1.351 129 H HN 0.497 nan 8.280 nan 0.000 0.602 130 M N 0.739 120.201 119.600 -0.231 0.000 2.496 130 M HA 0.281 4.761 4.480 0.000 0.000 0.330 130 M C -0.453 175.832 176.300 -0.025 0.000 1.133 130 M CA -0.082 55.084 55.300 -0.223 0.000 0.964 130 M CB 0.737 33.152 32.600 -0.309 0.000 1.401 130 M HN 0.017 nan 8.290 nan 0.000 0.520 131 L N 0.810 122.093 121.223 0.101 0.000 2.397 131 L HA 0.270 4.610 4.340 0.000 0.000 0.271 131 L C 0.700 177.649 176.870 0.132 0.000 1.148 131 L CA -0.576 54.359 54.840 0.158 0.000 0.825 131 L CB 1.039 43.253 42.059 0.259 0.000 1.117 131 L HN 0.307 nan 8.230 nan 0.000 0.456 132 S N 2.283 118.055 115.700 0.119 0.000 2.552 132 S HA 0.052 4.522 4.470 0.000 0.000 0.289 132 S C 1.061 175.668 174.600 0.013 0.000 1.304 132 S CA -0.489 57.766 58.200 0.091 0.000 1.063 132 S CB 0.627 63.992 63.200 0.275 0.000 0.848 132 S HN 0.618 nan 8.310 nan 0.000 0.499 133 R N 1.383 121.744 120.500 -0.232 0.000 2.226 133 R HA -0.178 4.162 4.340 0.000 0.000 0.246 133 R C 1.577 177.760 176.300 -0.196 0.000 1.161 133 R CA 2.145 58.076 56.100 -0.281 0.000 0.997 133 R CB -0.683 29.380 30.300 -0.395 0.000 0.870 133 R HN 0.837 nan 8.270 nan 0.000 0.465 134 H N -0.446 118.662 119.070 0.063 0.000 2.307 134 H HA -0.010 4.546 4.556 0.000 0.000 0.303 134 H C 2.283 177.655 175.328 0.074 0.000 1.073 134 H CA 1.519 57.602 56.048 0.057 0.000 1.338 134 H CB -0.105 29.680 29.762 0.039 0.000 1.389 134 H HN 0.201 nan 8.280 nan 0.000 0.503 135 S N -0.108 115.722 115.700 0.216 0.000 2.562 135 S HA -0.066 4.404 4.470 0.000 0.000 0.221 135 S C 1.743 176.406 174.600 0.105 0.000 0.975 135 S CA 0.027 58.309 58.200 0.137 0.000 0.918 135 S CB -0.421 62.854 63.200 0.125 0.000 0.772 135 S HN 0.361 nan 8.310 nan 0.000 0.531 136 F N 3.074 123.015 119.950 -0.015 0.000 2.187 136 F HA 0.130 4.657 4.527 0.000 0.000 0.295 136 F C 2.144 177.909 175.800 -0.058 0.000 1.091 136 F CA 1.082 59.054 58.000 -0.046 0.000 1.308 136 F CB -0.220 38.745 39.000 -0.058 0.000 1.030 136 F HN 0.171 nan 8.300 nan 0.000 0.487 137 N N 0.683 119.498 118.700 0.192 0.000 2.244 137 N HA -0.134 4.606 4.740 0.000 0.000 0.183 137 N C 1.964 177.468 175.510 -0.010 0.000 1.016 137 N CA 1.156 54.261 53.050 0.092 0.000 0.866 137 N CB -0.459 38.078 38.487 0.084 0.000 0.980 137 N HN 0.383 nan 8.380 nan 0.000 0.430 138 A N 1.071 123.883 122.820 -0.013 0.000 1.933 138 A HA -0.099 4.221 4.320 0.000 0.000 0.218 138 A C 2.233 179.747 177.584 -0.116 0.000 1.175 138 A CA 0.877 52.890 52.037 -0.040 0.000 0.628 138 A CB -0.556 18.439 19.000 -0.008 0.000 0.814 138 A HN 0.202 nan 8.150 nan 0.000 0.444 139 L N -0.406 120.691 121.223 -0.211 0.000 2.056 139 L HA -0.037 4.303 4.340 0.000 0.000 0.207 139 L C 2.299 178.951 176.870 -0.363 0.000 1.078 139 L CA 1.377 55.989 54.840 -0.380 0.000 0.749 139 L CB -0.427 41.305 42.059 -0.545 0.000 0.901 139 L HN 0.406 nan 8.230 nan 0.000 0.433 140 L N -0.584 120.467 121.223 -0.285 0.000 1.970 140 L HA -0.286 4.054 4.340 0.000 0.000 0.212 140 L C 2.570 179.357 176.870 -0.138 0.000 1.071 140 L CA 1.788 56.511 54.840 -0.195 0.000 0.751 140 L CB -0.605 41.403 42.059 -0.086 0.000 0.889 140 L HN 0.216 nan 8.230 nan 0.000 0.432 141 K N -0.830 119.511 120.400 -0.098 0.000 2.152 141 K HA -0.145 4.176 4.320 0.000 0.000 0.206 141 K C 1.888 178.444 176.600 -0.075 0.000 1.048 141 K CA 1.778 58.023 56.287 -0.069 0.000 0.933 141 K CB -0.277 32.196 32.500 -0.045 0.000 0.721 141 K HN 0.374 nan 8.250 nan 0.000 0.447 142 T N 1.222 115.720 114.554 -0.094 0.000 3.043 142 T HA 0.069 4.419 4.350 0.000 0.000 0.263 142 T C 1.763 176.434 174.700 -0.048 0.000 1.094 142 T CA 0.445 62.515 62.100 -0.050 0.000 1.127 142 T CB 0.101 68.970 68.868 0.001 0.000 0.905 142 T HN 0.092 nan 8.240 nan 0.000 0.490 143 L N 0.676 121.817 121.223 -0.136 0.000 2.131 143 L HA 0.036 4.376 4.340 0.000 0.000 0.206 143 L C 2.755 179.562 176.870 -0.105 0.000 1.087 143 L CA 1.044 55.804 54.840 -0.134 0.000 0.767 143 L CB -0.265 41.655 42.059 -0.231 0.000 0.917 143 L HN 0.203 nan 8.230 nan 0.000 0.441 144 E N 1.126 121.266 120.200 -0.101 0.000 2.085 144 E HA -0.182 4.168 4.350 0.000 0.000 0.194 144 E C 0.169 176.710 176.600 -0.098 0.000 0.994 144 E CA 1.282 57.629 56.400 -0.087 0.000 0.801 144 E CB 0.244 29.903 29.700 -0.070 0.000 0.743 144 E HN 0.354 nan 8.360 nan 0.000 0.453 145 E N 0.634 120.779 120.200 -0.093 0.000 2.761 145 E HA 0.242 4.592 4.350 0.000 0.000 0.266 145 E C -2.516 174.027 176.600 -0.095 0.000 1.097 145 E CA -1.703 54.635 56.400 -0.103 0.000 0.773 145 E CB 1.877 31.533 29.700 -0.073 0.000 1.453 145 E HN 0.207 nan 8.360 nan 0.000 0.388 146 P HA 0.358 nan 4.420 nan 0.000 0.296 146 P C -2.548 174.688 177.300 -0.106 0.000 1.301 146 P CA -1.743 61.309 63.100 -0.079 0.000 0.862 146 P CB 1.248 32.940 31.700 -0.013 0.000 1.046 147 P HA 0.159 nan 4.420 nan 0.000 0.272 147 P C 0.542 177.784 177.300 -0.096 0.000 1.240 147 P CA -0.029 62.973 63.100 -0.163 0.000 0.791 147 P CB 1.156 32.608 31.700 -0.412 0.000 0.978 148 E N -0.156 120.070 120.200 0.044 0.000 2.204 148 E HA -0.215 4.135 4.350 0.000 0.000 0.194 148 E C 1.726 178.443 176.600 0.195 0.000 0.989 148 E CA 1.403 57.907 56.400 0.173 0.000 0.824 148 E CB -0.633 29.173 29.700 0.177 0.000 0.756 148 E HN 0.689 nan 8.360 nan 0.000 0.477 149 H N -1.377 117.777 119.070 0.141 0.000 2.482 149 H HA 0.175 4.732 4.556 0.000 0.000 0.286 149 H C 0.537 176.010 175.328 0.242 0.000 1.017 149 H CA -0.044 56.078 56.048 0.123 0.000 1.322 149 H CB -0.067 29.723 29.762 0.047 0.000 1.426 149 H HN -0.135 nan 8.280 nan 0.000 0.546 150 V N 2.364 122.197 119.914 -0.135 0.000 2.546 150 V HA 0.249 4.369 4.120 0.000 0.000 0.284 150 V C -0.079 176.039 176.094 0.039 0.000 1.050 150 V CA -0.621 61.668 62.300 -0.019 0.000 0.981 150 V CB 1.355 33.080 31.823 -0.164 0.000 0.990 150 V HN 0.334 nan 8.190 nan 0.000 0.474 151 K N 3.588 123.986 120.400 -0.003 0.000 2.469 151 K HA 0.596 4.916 4.320 0.000 0.000 0.254 151 K C -1.404 175.132 176.600 -0.107 0.000 0.939 151 K CA -0.475 55.821 56.287 0.014 0.000 0.812 151 K CB 2.514 35.037 32.500 0.038 0.000 1.301 151 K HN 0.392 nan 8.250 nan 0.000 0.433 152 F N 1.148 121.200 119.950 0.170 0.000 2.492 152 F HA 0.509 5.036 4.527 0.000 0.000 0.327 152 F C 0.266 176.186 175.800 0.200 0.000 1.079 152 F CA -0.864 57.240 58.000 0.174 0.000 0.967 152 F CB 1.328 40.371 39.000 0.071 0.000 1.169 152 F HN 0.095 nan 8.300 nan 0.000 0.472 153 L N 4.996 126.474 121.223 0.426 0.000 2.462 153 L HA 0.396 4.736 4.340 0.000 0.000 0.255 153 L C -1.066 175.997 176.870 0.322 0.000 1.076 153 L CA -0.260 54.801 54.840 0.368 0.000 0.920 153 L CB 0.654 42.932 42.059 0.366 0.000 1.214 153 L HN 0.439 nan 8.230 nan 0.000 0.472 154 L N 2.166 123.521 121.223 0.220 0.000 2.371 154 L HA 0.730 5.070 4.340 0.000 0.000 0.272 154 L C 0.511 177.490 176.870 0.182 0.000 1.124 154 L CA -0.153 54.782 54.840 0.158 0.000 0.816 154 L CB 1.417 43.505 42.059 0.048 0.000 1.129 154 L HN 0.580 nan 8.230 nan 0.000 0.448 155 A N 2.164 125.092 122.820 0.180 0.000 2.423 155 A HA 0.957 5.277 4.320 0.000 0.000 0.304 155 A C -0.588 177.068 177.584 0.119 0.000 1.104 155 A CA -0.428 51.716 52.037 0.179 0.000 0.757 155 A CB 2.009 21.119 19.000 0.183 0.000 1.313 155 A HN 0.650 nan 8.150 nan 0.000 0.423 156 T N 0.043 114.636 114.554 0.064 0.000 2.893 156 T HA 0.365 4.715 4.350 0.000 0.000 0.337 156 T C 0.256 174.911 174.700 -0.074 0.000 1.587 156 T CA -0.076 62.011 62.100 -0.022 0.000 1.066 156 T CB 1.561 70.350 68.868 -0.131 0.000 1.414 156 T HN 0.514 nan 8.240 nan 0.000 0.488 157 T N 0.575 115.061 114.554 -0.113 0.000 3.037 157 T HA 0.185 4.535 4.350 0.000 0.000 0.252 157 T C -0.096 174.531 174.700 -0.120 0.000 1.073 157 T CA 0.447 62.510 62.100 -0.061 0.000 1.091 157 T CB 0.057 68.949 68.868 0.040 0.000 0.935 157 T HN 0.508 nan 8.240 nan 0.000 0.488 158 D N 0.516 120.732 120.400 -0.306 0.000 2.336 158 D HA 0.331 4.971 4.640 0.000 0.000 0.248 158 D C -2.242 173.891 176.300 -0.279 0.000 1.326 158 D CA -2.075 51.788 54.000 -0.227 0.000 0.973 158 D CB 1.844 42.560 40.800 -0.139 0.000 1.255 158 D HN -0.115 nan 8.370 nan 0.000 0.558 159 P HA -0.083 nan 4.420 nan 0.000 0.222 159 P C 1.103 178.376 177.300 -0.043 0.000 1.147 159 P CA 0.906 63.952 63.100 -0.089 0.000 0.790 159 P CB 0.384 32.062 31.700 -0.037 0.000 0.780 160 Q N -0.390 119.392 119.800 -0.031 0.000 2.230 160 Q HA -0.046 4.294 4.340 0.000 0.000 0.202 160 Q C 1.544 177.549 176.000 0.009 0.000 0.963 160 Q CA 0.873 56.674 55.803 -0.004 0.000 0.866 160 Q CB -0.223 28.518 28.738 0.004 0.000 0.931 160 Q HN 0.354 nan 8.270 nan 0.000 0.452 161 K N 0.332 120.742 120.400 0.016 0.000 2.551 161 K HA 0.104 4.425 4.320 0.000 0.000 0.192 161 K C -0.014 176.641 176.600 0.092 0.000 1.027 161 K CA 0.141 56.471 56.287 0.072 0.000 1.059 161 K CB 0.227 32.844 32.500 0.196 0.000 0.831 161 K HN 0.129 nan 8.250 nan 0.000 0.508 162 L N 3.071 124.339 121.223 0.075 0.000 2.272 162 L HA 0.280 4.620 4.340 0.000 0.000 0.289 162 L C -2.080 174.842 176.870 0.087 0.000 1.032 162 L CA -2.297 52.620 54.840 0.128 0.000 0.810 162 L CB 1.248 43.372 42.059 0.107 0.000 1.205 162 L HN -0.070 nan 8.230 nan 0.000 0.422 163 P HA -0.025 nan 4.420 nan 0.000 0.266 163 P C 0.966 178.301 177.300 0.058 0.000 1.195 163 P CA -0.222 62.918 63.100 0.067 0.000 0.768 163 P CB 1.130 32.882 31.700 0.087 0.000 0.838 164 V N 2.382 122.311 119.914 0.025 0.000 2.660 164 V HA -0.254 3.866 4.120 0.000 0.000 0.257 164 V C 2.597 178.694 176.094 0.006 0.000 1.088 164 V CA 2.602 64.907 62.300 0.008 0.000 1.106 164 V CB -2.254 29.569 31.823 -0.001 0.000 0.686 164 V HN 0.715 nan 8.190 nan 0.000 0.481 165 T N -1.947 112.619 114.554 0.020 0.000 2.881 165 T HA -0.062 4.288 4.350 0.000 0.000 0.270 165 T C 1.739 176.435 174.700 -0.007 0.000 1.068 165 T CA 1.480 63.587 62.100 0.011 0.000 1.131 165 T CB -0.230 68.657 68.868 0.031 0.000 0.871 165 T HN 0.453 nan 8.240 nan 0.000 0.479 166 I N -0.002 120.572 120.570 0.007 0.000 2.556 166 I HA 0.123 4.293 4.170 0.000 0.000 0.251 166 I C 2.494 178.576 176.117 -0.057 0.000 1.105 166 I CA 0.339 61.611 61.300 -0.047 0.000 1.436 166 I CB -0.176 37.798 38.000 -0.043 0.000 1.139 166 I HN 0.168 nan 8.210 nan 0.000 0.438 167 L N 0.975 122.180 121.223 -0.031 0.000 2.021 167 L HA -0.273 4.067 4.340 0.000 0.000 0.215 167 L C 2.743 179.575 176.870 -0.063 0.000 1.074 167 L CA 2.167 56.978 54.840 -0.047 0.000 0.760 167 L CB -0.716 41.325 42.059 -0.030 0.000 0.889 167 L HN 0.387 nan 8.230 nan 0.000 0.433 168 S N -0.760 114.911 115.700 -0.049 0.000 2.469 168 S HA -0.150 4.320 4.470 0.000 0.000 0.238 168 S C 1.812 176.379 174.600 -0.056 0.000 0.998 168 S CA 0.664 58.834 58.200 -0.050 0.000 0.957 168 S CB -0.318 62.861 63.200 -0.035 0.000 0.764 168 S HN 0.437 nan 8.310 nan 0.000 0.514 169 R N -0.398 120.062 120.500 -0.066 0.000 2.317 169 R HA 0.308 4.648 4.340 0.000 0.000 0.208 169 R C -0.338 175.916 176.300 -0.076 0.000 0.914 169 R CA -0.038 56.021 56.100 -0.068 0.000 1.060 169 R CB 0.006 30.255 30.300 -0.084 0.000 1.015 169 R HN 0.389 nan 8.270 nan 0.000 0.498 170 C N 0.252 119.488 119.300 -0.106 0.000 2.667 170 C HA 0.387 4.847 4.460 0.000 0.000 0.323 170 C C -0.308 174.551 174.990 -0.219 0.000 1.214 170 C CA -1.146 57.781 59.018 -0.152 0.000 1.721 170 C CB 1.538 29.187 27.740 -0.152 0.000 2.275 170 C HN 0.214 nan 8.230 nan 0.000 0.491 171 L N 2.855 123.872 121.223 -0.344 0.000 2.302 171 L HA 0.299 4.639 4.340 0.000 0.000 0.285 171 L C 0.167 176.730 176.870 -0.512 0.000 1.090 171 L CA 0.669 55.214 54.840 -0.491 0.000 0.866 171 L CB -0.232 41.384 42.059 -0.739 0.000 1.244 171 L HN 0.696 nan 8.230 nan 0.000 0.435 172 Q N 3.833 123.352 119.800 -0.468 0.000 2.373 172 Q HA 0.396 4.736 4.340 0.000 0.000 0.255 172 Q C -1.309 174.333 176.000 -0.596 0.000 0.980 172 Q CA 0.407 55.976 55.803 -0.390 0.000 0.882 172 Q CB 1.016 29.628 28.738 -0.210 0.000 1.249 172 Q HN 0.456 nan 8.270 nan 0.000 0.438 173 F N 0.640 120.578 119.950 -0.021 0.000 2.617 173 F HA 0.178 4.705 4.527 0.000 0.000 0.325 173 F C -0.413 175.467 175.800 0.133 0.000 1.179 173 F CA -0.712 57.346 58.000 0.098 0.000 0.965 173 F CB 1.444 40.569 39.000 0.208 0.000 1.232 173 F HN 0.522 nan 8.300 nan 0.000 0.461 174 H N 5.381 124.620 119.070 0.282 0.000 2.594 174 H HA 0.436 4.992 4.556 0.000 0.000 0.304 174 H C -0.767 174.654 175.328 0.155 0.000 1.068 174 H CA -0.235 55.918 56.048 0.175 0.000 1.308 174 H CB 0.957 30.778 29.762 0.099 0.000 1.409 174 H HN 0.548 nan 8.280 nan 0.000 0.460 175 L N 6.201 127.538 121.223 0.190 0.000 2.282 175 L HA 0.234 4.574 4.340 0.000 0.000 0.287 175 L C 0.990 177.969 176.870 0.182 0.000 1.075 175 L CA -0.321 54.602 54.840 0.139 0.000 0.839 175 L CB 0.553 42.632 42.059 0.034 0.000 1.219 175 L HN 0.393 nan 8.230 nan 0.000 0.434 179 D N -0.110 120.280 120.400 -0.016 0.000 2.357 179 D HA 0.337 4.977 4.640 0.000 0.000 0.242 179 D C 0.736 177.028 176.300 -0.013 0.000 1.153 179 D CA -0.323 53.669 54.000 -0.014 0.000 0.918 179 D CB 1.638 42.426 40.800 -0.020 0.000 1.181 179 D HN 0.257 nan 8.370 nan 0.000 0.435 180 V N 1.844 121.753 119.914 -0.009 0.000 2.220 180 V HA -0.192 3.928 4.120 0.000 0.000 0.246 180 V C 1.882 177.974 176.094 -0.002 0.000 1.049 180 V CA 1.775 64.072 62.300 -0.006 0.000 1.003 180 V CB -0.790 31.031 31.823 -0.002 0.000 0.634 180 V HN 0.710 nan 8.190 nan 0.000 0.444 181 E N -0.579 119.622 120.200 0.002 0.000 2.461 181 E HA -0.144 4.207 4.350 0.000 0.000 0.196 181 E C 1.881 178.491 176.600 0.017 0.000 1.129 181 E CA 0.133 56.542 56.400 0.016 0.000 0.902 181 E CB 0.071 29.780 29.700 0.015 0.000 0.963 181 E HN 0.612 nan 8.360 nan 0.000 0.503 182 Q N -0.280 119.520 119.800 -0.001 0.000 2.378 182 Q HA 0.089 4.429 4.340 0.000 0.000 0.229 182 Q C 1.764 177.768 176.000 0.007 0.000 0.882 182 Q CA 0.066 55.861 55.803 -0.014 0.000 0.936 182 Q CB 0.574 29.291 28.738 -0.035 0.000 1.092 182 Q HN 0.286 nan 8.270 nan 0.000 0.535 183 I N 0.219 120.787 120.570 -0.002 0.000 2.731 183 I HA -0.100 4.070 4.170 0.000 0.000 0.260 183 I C 2.554 178.657 176.117 -0.024 0.000 1.138 183 I CA 0.204 61.493 61.300 -0.020 0.000 1.461 183 I CB -0.182 37.801 38.000 -0.029 0.000 1.128 183 I HN 0.146 nan 8.210 nan 0.000 0.438 184 R N 0.966 121.462 120.500 -0.007 0.000 2.082 184 R HA -0.268 4.072 4.340 0.000 0.000 0.234 184 R C 2.386 178.678 176.300 -0.013 0.000 1.136 184 R CA 1.948 58.036 56.100 -0.019 0.000 0.935 184 R CB -0.990 29.312 30.300 0.004 0.000 0.842 184 R HN 0.400 nan 8.270 nan 0.000 0.430 185 H N 0.176 119.213 119.070 -0.055 0.000 2.426 185 H HA -0.179 4.377 4.556 0.000 0.000 0.298 185 H C 1.956 177.254 175.328 -0.051 0.000 1.107 185 H CA 2.314 58.335 56.048 -0.046 0.000 1.298 185 H CB 0.268 30.004 29.762 -0.044 0.000 1.377 185 H HN 0.314 nan 8.280 nan 0.000 0.519 186 Q N 0.695 120.513 119.800 0.031 0.000 2.049 186 Q HA -0.039 4.301 4.340 0.000 0.000 0.198 186 Q C 2.723 178.651 176.000 -0.120 0.000 0.971 186 Q CA 1.222 57.010 55.803 -0.025 0.000 0.833 186 Q CB -0.402 28.316 28.738 -0.034 0.000 0.896 186 Q HN 0.493 nan 8.270 nan 0.000 0.434 187 L N 0.442 121.570 121.223 -0.159 0.000 2.079 187 L HA -0.180 4.160 4.340 0.000 0.000 0.210 187 L C 2.528 179.216 176.870 -0.303 0.000 1.081 187 L CA 1.788 56.482 54.840 -0.244 0.000 0.752 187 L CB -0.513 41.422 42.059 -0.207 0.000 0.896 187 L HN 0.460 nan 8.230 nan 0.000 0.433 188 E N -0.557 119.478 120.200 -0.275 0.000 2.047 188 E HA -0.279 4.071 4.350 0.000 0.000 0.191 188 E C 2.237 178.705 176.600 -0.221 0.000 0.987 188 E CA 1.060 57.262 56.400 -0.330 0.000 0.799 188 E CB -0.097 29.468 29.700 -0.226 0.000 0.752 188 E HN 0.495 nan 8.360 nan 0.000 0.449 189 H N 0.758 119.660 119.070 -0.280 0.000 2.290 189 H HA -0.134 4.423 4.556 0.000 0.000 0.298 189 H C 2.230 177.444 175.328 -0.190 0.000 1.087 189 H CA 1.974 57.899 56.048 -0.204 0.000 1.291 189 H CB -0.145 29.511 29.762 -0.176 0.000 1.369 189 H HN 0.239 nan 8.280 nan 0.000 0.492 190 I N 0.801 121.150 120.570 -0.367 0.000 2.208 190 I HA -0.306 3.864 4.170 0.000 0.000 0.245 190 I C 2.748 178.616 176.117 -0.414 0.000 1.097 190 I CA 0.905 61.770 61.300 -0.725 0.000 1.363 190 I CB -0.237 37.008 38.000 -1.258 0.000 1.051 190 I HN 0.251 nan 8.210 nan 0.000 0.413 191 L N 0.370 121.395 121.223 -0.330 0.000 2.141 191 L HA -0.191 4.149 4.340 0.000 0.000 0.209 191 L C 2.170 178.985 176.870 -0.092 0.000 1.094 191 L CA 1.018 55.747 54.840 -0.185 0.000 0.763 191 L CB -0.666 41.252 42.059 -0.235 0.000 0.908 191 L HN 0.334 nan 8.230 nan 0.000 0.437 192 N N 0.033 118.656 118.700 -0.129 0.000 2.244 192 N HA -0.157 4.583 4.740 0.000 0.000 0.183 192 N C 1.607 176.967 175.510 -0.249 0.000 1.016 192 N CA 1.039 54.017 53.050 -0.121 0.000 0.866 192 N CB 0.008 38.435 38.487 -0.100 0.000 0.980 192 N HN 0.413 nan 8.380 nan 0.000 0.430 193 E N 0.179 120.245 120.200 -0.224 0.000 2.435 193 E HA -0.012 4.338 4.350 0.000 0.000 0.195 193 E C 0.605 177.160 176.600 -0.075 0.000 1.029 193 E CA 0.356 56.650 56.400 -0.176 0.000 0.865 193 E CB 0.290 29.953 29.700 -0.062 0.000 0.833 193 E HN 0.259 nan 8.360 nan 0.000 0.510 194 E N -0.204 120.002 120.200 0.009 0.000 2.474 194 E HA -0.003 4.347 4.350 0.000 0.000 0.195 194 E C -0.397 176.286 176.600 0.139 0.000 1.039 194 E CA 0.066 56.537 56.400 0.118 0.000 0.881 194 E CB 0.285 30.092 29.700 0.178 0.000 0.970 194 E HN 0.248 nan 8.360 nan 0.000 0.486 195 H N -0.324 118.778 119.070 0.054 0.000 2.819 195 H HA -0.160 4.396 4.556 0.000 0.000 0.315 195 H C -0.334 175.020 175.328 0.043 0.000 1.242 195 H CA 0.665 56.737 56.048 0.040 0.000 1.157 195 H CB -2.048 27.731 29.762 0.029 0.000 1.451 195 H HN 0.178 nan 8.280 nan 0.000 0.430 196 I N 0.112 120.758 120.570 0.126 0.000 2.406 196 I HA 0.499 4.669 4.170 0.000 0.000 0.290 196 I C 1.044 177.239 176.117 0.129 0.000 0.999 196 I CA -0.577 60.787 61.300 0.107 0.000 1.124 196 I CB 1.847 39.893 38.000 0.077 0.000 1.289 196 I HN 0.292 nan 8.210 nan 0.000 0.441 197 A N 6.417 129.289 122.820 0.088 0.000 2.429 197 A HA 0.428 4.748 4.320 0.000 0.000 0.242 197 A C -0.166 177.492 177.584 0.122 0.000 1.088 197 A CA 0.400 52.464 52.037 0.046 0.000 0.784 197 A CB 0.132 19.137 19.000 0.009 0.000 1.038 197 A HN 0.981 nan 8.150 nan 0.000 0.501 198 H N -1.461 117.601 119.070 -0.014 0.000 2.984 198 H HA 0.433 4.989 4.556 0.000 0.000 0.298 198 H C -1.752 173.565 175.328 -0.018 0.000 1.378 198 H CA -0.721 55.314 56.048 -0.021 0.000 1.241 198 H CB 0.440 30.182 29.762 -0.033 0.000 1.894 198 H HN 0.602 nan 8.280 nan 0.000 0.511 199 E N 2.198 122.481 120.200 0.139 0.000 2.176 199 E HA 0.209 4.559 4.350 0.000 0.000 0.267 199 E C -1.806 174.884 176.600 0.150 0.000 0.893 199 E CA -2.265 54.179 56.400 0.073 0.000 0.761 199 E CB 2.523 32.242 29.700 0.032 0.000 1.133 199 E HN 0.375 nan 8.360 nan 0.000 0.409 200 P HA -0.212 nan 4.420 nan 0.000 0.218 200 P C 1.034 178.368 177.300 0.055 0.000 1.146 200 P CA 1.122 64.291 63.100 0.115 0.000 0.813 200 P CB 0.309 32.059 31.700 0.084 0.000 0.778 201 R N -0.579 119.945 120.500 0.040 0.000 2.275 201 R HA 0.148 4.488 4.340 0.000 0.000 0.199 201 R C 2.065 178.374 176.300 0.016 0.000 0.989 201 R CA 0.697 56.810 56.100 0.023 0.000 1.016 201 R CB -0.219 30.091 30.300 0.017 0.000 0.918 201 R HN 0.079 nan 8.270 nan 0.000 0.473 202 A N 0.531 123.365 122.820 0.023 0.000 1.903 202 A HA -0.018 4.302 4.320 0.000 0.000 0.213 202 A C 1.966 179.545 177.584 -0.009 0.000 1.185 202 A CA 0.546 52.589 52.037 0.010 0.000 0.628 202 A CB -0.204 18.811 19.000 0.024 0.000 0.830 202 A HN 0.238 nan 8.150 nan 0.000 0.446 203 L N -0.884 120.330 121.223 -0.014 0.000 2.093 203 L HA -0.204 4.136 4.340 0.000 0.000 0.208 203 L C 2.825 179.672 176.870 -0.039 0.000 1.085 203 L CA 1.628 56.434 54.840 -0.056 0.000 0.755 203 L CB -0.391 41.609 42.059 -0.098 0.000 0.904 203 L HN 0.472 nan 8.230 nan 0.000 0.435 204 Q N 0.589 120.379 119.800 -0.016 0.000 2.084 204 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 204 Q C 2.169 178.162 176.000 -0.012 0.000 0.978 204 Q CA 1.742 57.540 55.803 -0.009 0.000 0.844 204 Q CB -0.300 28.441 28.738 0.004 0.000 0.898 204 Q HN 0.440 nan 8.270 nan 0.000 0.426 205 L N -0.462 120.754 121.223 -0.012 0.000 2.083 205 L HA -0.185 4.155 4.340 0.000 0.000 0.209 205 L C 2.291 179.148 176.870 -0.022 0.000 1.083 205 L CA 0.968 55.799 54.840 -0.014 0.000 0.752 205 L CB -0.379 41.672 42.059 -0.014 0.000 0.899 205 L HN 0.296 nan 8.230 nan 0.000 0.433 206 L N -0.765 120.440 121.223 -0.031 0.000 2.156 206 L HA -0.104 4.236 4.340 0.000 0.000 0.208 206 L C 2.731 179.577 176.870 -0.040 0.000 1.095 206 L CA 0.851 55.667 54.840 -0.040 0.000 0.770 206 L CB -0.462 41.563 42.059 -0.056 0.000 0.914 206 L HN 0.199 nan 8.230 nan 0.000 0.439 207 A N -0.232 122.565 122.820 -0.038 0.000 2.014 207 A HA -0.129 4.191 4.320 0.000 0.000 0.218 207 A C 2.352 179.923 177.584 -0.022 0.000 1.163 207 A CA 1.103 53.120 52.037 -0.033 0.000 0.652 207 A CB -0.269 18.714 19.000 -0.028 0.000 0.808 207 A HN 0.312 nan 8.150 nan 0.000 0.449 208 R N -0.841 119.649 120.500 -0.018 0.000 2.090 208 R HA 0.143 4.484 4.340 0.000 0.000 0.219 208 R C 2.545 178.837 176.300 -0.014 0.000 1.100 208 R CA 0.821 56.913 56.100 -0.012 0.000 0.991 208 R CB -0.417 29.878 30.300 -0.008 0.000 0.893 208 R HN 0.450 nan 8.270 nan 0.000 0.443 209 A N 2.014 124.824 122.820 -0.017 0.000 1.881 209 A HA -0.163 4.157 4.320 0.000 0.000 0.219 209 A C 1.295 178.869 177.584 -0.016 0.000 1.215 209 A CA 1.855 53.881 52.037 -0.018 0.000 0.648 209 A CB -0.789 18.197 19.000 -0.023 0.000 0.832 209 A HN 0.404 nan 8.150 nan 0.000 0.455 210 A N -0.375 122.434 122.820 -0.019 0.000 2.363 210 A HA 0.488 4.808 4.320 0.000 0.000 0.270 210 A C 0.051 177.627 177.584 -0.013 0.000 1.121 210 A CA -0.188 51.839 52.037 -0.017 0.000 0.800 210 A CB 0.134 19.120 19.000 -0.022 0.000 1.052 210 A HN 0.482 nan 8.150 nan 0.000 0.493 211 E N 1.999 122.195 120.200 -0.007 0.000 1.993 211 E HA 0.427 4.777 4.350 0.000 0.000 0.271 211 E C 0.958 177.556 176.600 -0.003 0.000 1.008 211 E CA 0.394 56.791 56.400 -0.004 0.000 0.814 211 E CB -0.049 29.651 29.700 0.000 0.000 1.098 211 E HN 1.270 nan 8.360 nan 0.000 0.407 212 G N 3.669 112.465 108.800 -0.007 0.000 2.225 212 G HA2 -0.306 3.654 3.960 0.000 0.000 0.267 212 G HA3 -0.306 3.654 3.960 0.000 0.000 0.267 212 G C 0.067 174.962 174.900 -0.008 0.000 1.024 212 G CA 0.725 45.822 45.100 -0.006 0.000 0.784 212 G HN 0.620 nan 8.290 nan 0.000 0.507 213 S N -0.979 114.714 115.700 -0.011 0.000 2.406 213 S HA 0.554 5.024 4.470 0.000 0.000 0.224 213 S C 1.050 175.638 174.600 -0.020 0.000 1.426 213 S CA -0.155 58.038 58.200 -0.012 0.000 1.179 213 S CB 1.585 64.781 63.200 -0.007 0.000 1.042 213 S HN 0.619 nan 8.310 nan 0.000 0.479 214 L N 3.170 124.379 121.223 -0.024 0.000 2.129 214 L HA -0.086 4.255 4.340 0.000 0.000 0.212 214 L C 2.457 179.310 176.870 -0.028 0.000 1.087 214 L CA 1.735 56.556 54.840 -0.032 0.000 0.757 214 L CB -0.542 41.498 42.059 -0.031 0.000 0.896 214 L HN 0.633 nan 8.230 nan 0.000 0.434 215 R N -0.482 120.008 120.500 -0.016 0.000 2.103 215 R HA -0.181 4.159 4.340 0.000 0.000 0.234 215 R C 1.946 178.237 176.300 -0.014 0.000 1.132 215 R CA 1.816 57.911 56.100 -0.008 0.000 0.925 215 R CB -0.914 29.384 30.300 -0.002 0.000 0.842 215 R HN 0.405 nan 8.270 nan 0.000 0.430 216 D N 0.615 121.007 120.400 -0.014 0.000 2.182 216 D HA -0.163 4.477 4.640 0.000 0.000 0.201 216 D C 1.843 178.127 176.300 -0.027 0.000 0.986 216 D CA 1.499 55.489 54.000 -0.016 0.000 0.847 216 D CB -0.227 40.567 40.800 -0.011 0.000 0.942 216 D HN 0.343 nan 8.370 nan 0.000 0.467 217 A N 0.962 123.759 122.820 -0.037 0.000 1.877 217 A HA -0.144 4.176 4.320 0.000 0.000 0.216 217 A C 2.438 179.980 177.584 -0.070 0.000 1.186 217 A CA 0.971 52.975 52.037 -0.055 0.000 0.620 217 A CB -0.772 18.188 19.000 -0.065 0.000 0.822 217 A HN 0.181 nan 8.150 nan 0.000 0.443 218 L N -0.739 120.440 121.223 -0.072 0.000 1.994 218 L HA -0.166 4.174 4.340 0.000 0.000 0.208 218 L C 2.878 179.720 176.870 -0.047 0.000 1.071 218 L CA 1.539 56.330 54.840 -0.082 0.000 0.745 218 L CB -0.731 41.289 42.059 -0.065 0.000 0.892 218 L HN 0.304 nan 8.230 nan 0.000 0.431 219 S N 0.139 115.824 115.700 -0.025 0.000 2.380 219 S HA -0.189 4.281 4.470 0.000 0.000 0.229 219 S C 1.984 176.573 174.600 -0.018 0.000 1.043 219 S CA 1.447 59.639 58.200 -0.012 0.000 1.038 219 S CB -0.400 62.796 63.200 -0.006 0.000 0.872 219 S HN 0.276 nan 8.310 nan 0.000 0.456 220 L N 0.587 121.794 121.223 -0.027 0.000 2.093 220 L HA -0.095 4.245 4.340 0.000 0.000 0.208 220 L C 2.497 179.346 176.870 -0.036 0.000 1.085 220 L CA 1.145 55.968 54.840 -0.029 0.000 0.755 220 L CB -0.883 41.156 42.059 -0.033 0.000 0.904 220 L HN 0.305 nan 8.230 nan 0.000 0.435 221 T N -1.296 113.227 114.554 -0.052 0.000 2.995 221 T HA -0.113 4.237 4.350 0.000 0.000 0.269 221 T C 1.318 175.994 174.700 -0.040 0.000 1.091 221 T CA 0.865 62.928 62.100 -0.062 0.000 1.128 221 T CB -0.115 68.689 68.868 -0.106 0.000 0.891 221 T HN 0.299 nan 8.240 nan 0.000 0.492 222 D N 1.207 121.592 120.400 -0.025 0.000 2.194 222 D HA -0.016 4.624 4.640 0.000 0.000 0.204 222 D C 2.279 178.579 176.300 0.000 0.000 0.964 222 D CA 0.736 54.733 54.000 -0.004 0.000 0.846 222 D CB -0.071 40.734 40.800 0.009 0.000 0.962 222 D HN 0.433 nan 8.370 nan 0.000 0.490 223 Q N 0.577 120.374 119.800 -0.005 0.000 2.020 223 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 223 Q C 2.272 178.269 176.000 -0.005 0.000 0.982 223 Q CA 1.278 57.079 55.803 -0.003 0.000 0.838 223 Q CB -0.118 28.615 28.738 -0.008 0.000 0.899 223 Q HN 0.174 nan 8.270 nan 0.000 0.423 224 A N 0.817 123.630 122.820 -0.011 0.000 1.948 224 A HA -0.209 4.111 4.320 0.000 0.000 0.220 224 A C 1.982 179.564 177.584 -0.004 0.000 1.177 224 A CA 1.299 53.329 52.037 -0.011 0.000 0.636 224 A CB -0.640 18.348 19.000 -0.020 0.000 0.815 224 A HN 0.321 nan 8.150 nan 0.000 0.449 225 I N -0.689 119.881 120.570 -0.001 0.000 2.193 225 I HA -0.206 3.964 4.170 0.000 0.000 0.240 225 I C 2.983 179.108 176.117 0.012 0.000 1.084 225 I CA 0.948 62.253 61.300 0.009 0.000 1.365 225 I CB -0.376 37.632 38.000 0.014 0.000 1.064 225 I HN 0.334 nan 8.210 nan 0.000 0.410 226 A N 0.523 123.350 122.820 0.012 0.000 1.940 226 A HA -0.244 4.077 4.320 0.000 0.000 0.219 226 A C 2.384 179.973 177.584 0.009 0.000 1.176 226 A CA 2.394 54.440 52.037 0.014 0.000 0.631 226 A CB -0.761 18.248 19.000 0.014 0.000 0.814 226 A HN 0.545 nan 8.150 nan 0.000 0.446 227 S N -1.849 113.853 115.700 0.005 0.000 2.548 227 S HA 0.291 4.761 4.470 0.000 0.000 0.215 227 S C 1.385 175.986 174.600 0.001 0.000 0.976 227 S CA 0.720 58.921 58.200 0.001 0.000 0.908 227 S CB 0.030 63.229 63.200 -0.003 0.000 0.781 227 S HN 0.664 nan 8.310 nan 0.000 0.519 228 G N 0.412 109.215 108.800 0.004 0.000 3.453 228 G HA2 0.254 4.214 3.960 0.000 0.000 0.263 228 G HA3 0.254 4.214 3.960 0.000 0.000 0.263 228 G C -0.266 174.639 174.900 0.008 0.000 1.060 228 G CA -0.238 44.865 45.100 0.005 0.000 0.793 228 G HN 0.357 nan 8.290 nan 0.000 0.532 229 D N 0.040 120.446 120.400 0.009 0.000 3.003 229 D HA -0.110 4.531 4.640 0.000 0.000 0.223 229 D C 1.606 177.915 176.300 0.014 0.000 1.204 229 D CA 1.791 55.798 54.000 0.011 0.000 0.828 229 D CB -1.198 39.607 40.800 0.008 0.000 0.918 229 D HN 0.940 nan 8.370 nan 0.000 0.401 230 G N 1.225 110.037 108.800 0.019 0.000 2.225 230 G HA2 -0.322 3.638 3.960 0.000 0.000 0.254 230 G HA3 -0.322 3.638 3.960 0.000 0.000 0.254 230 G C 0.270 175.188 174.900 0.029 0.000 0.988 230 G CA 0.544 45.660 45.100 0.025 0.000 0.625 230 G HN 0.587 nan 8.290 nan 0.000 0.527 231 Q N -0.383 119.432 119.800 0.024 0.000 2.353 231 Q HA 0.583 4.923 4.340 0.000 0.000 0.268 231 Q C -0.395 175.622 176.000 0.029 0.000 1.045 231 Q CA -0.816 55.005 55.803 0.030 0.000 0.811 231 Q CB 2.925 31.676 28.738 0.021 0.000 1.305 231 Q HN 0.146 nan 8.270 nan 0.000 0.447 232 V N 2.667 122.608 119.914 0.045 0.000 2.162 232 V HA 0.117 4.237 4.120 0.000 0.000 0.255 232 V C 0.013 176.135 176.094 0.047 0.000 1.304 232 V CA -0.242 62.079 62.300 0.035 0.000 1.198 232 V CB -0.446 31.392 31.823 0.025 0.000 1.333 232 V HN 0.734 nan 8.190 nan 0.000 0.493 233 S N 1.492 117.207 115.700 0.026 0.000 2.578 233 S HA 0.295 4.765 4.470 0.000 0.000 0.283 233 S C 1.245 175.852 174.600 0.011 0.000 1.195 233 S CA -0.256 57.956 58.200 0.021 0.000 1.050 233 S CB 1.602 64.809 63.200 0.011 0.000 1.012 233 S HN 0.499 nan 8.310 nan 0.000 0.511 234 T N 1.985 116.546 114.554 0.011 0.000 2.737 234 T HA -0.184 4.166 4.350 0.000 0.000 0.269 234 T C 1.592 176.289 174.700 -0.004 0.000 1.040 234 T CA 1.772 63.874 62.100 0.003 0.000 1.142 234 T CB -0.431 68.439 68.868 0.004 0.000 0.861 234 T HN 0.738 nan 8.240 nan 0.000 0.456 235 Q N -0.041 119.756 119.800 -0.004 0.000 2.488 235 Q HA 0.204 4.544 4.340 0.000 0.000 0.211 235 Q C 2.318 178.312 176.000 -0.010 0.000 0.967 235 Q CA 0.757 56.555 55.803 -0.008 0.000 0.926 235 Q CB -0.061 28.672 28.738 -0.007 0.000 0.992 235 Q HN 0.602 nan 8.270 nan 0.000 0.506 236 A N -0.478 122.338 122.820 -0.007 0.000 1.993 236 A HA 0.057 4.377 4.320 0.000 0.000 0.207 236 A C 2.063 179.640 177.584 -0.013 0.000 1.224 236 A CA 0.122 52.154 52.037 -0.008 0.000 0.749 236 A CB 0.071 19.069 19.000 -0.003 0.000 0.884 236 A HN 0.132 nan 8.150 nan 0.000 0.467 237 V N 1.106 121.012 119.914 -0.012 0.000 2.255 237 V HA -0.195 3.925 4.120 0.000 0.000 0.243 237 V C 2.941 179.021 176.094 -0.023 0.000 1.038 237 V CA 2.349 64.639 62.300 -0.017 0.000 1.008 237 V CB -0.845 30.969 31.823 -0.015 0.000 0.645 237 V HN 0.758 nan 8.190 nan 0.000 0.449 238 S N 1.269 116.955 115.700 -0.022 0.000 2.441 238 S HA -0.237 4.233 4.470 0.000 0.000 0.242 238 S C 1.866 176.441 174.600 -0.040 0.000 1.018 238 S CA 1.667 59.850 58.200 -0.029 0.000 0.988 238 S CB -0.550 62.634 63.200 -0.026 0.000 0.778 238 S HN 0.613 nan 8.310 nan 0.000 0.498 239 A N 0.973 123.771 122.820 -0.036 0.000 1.984 239 A HA 0.390 4.710 4.320 0.000 0.000 0.214 239 A C 2.244 179.802 177.584 -0.044 0.000 1.173 239 A CA 0.710 52.721 52.037 -0.043 0.000 0.673 239 A CB -0.481 18.499 19.000 -0.034 0.000 0.830 239 A HN 0.508 nan 8.150 nan 0.000 0.453 240 M N -0.062 119.517 119.600 -0.035 0.000 2.067 240 M HA -0.021 4.459 4.480 0.000 0.000 0.260 240 M C 0.632 176.908 176.300 -0.039 0.000 1.069 240 M CA 1.081 56.362 55.300 -0.032 0.000 1.117 240 M CB -0.470 32.115 32.600 -0.025 0.000 1.334 240 M HN 0.319 nan 8.290 nan 0.000 0.407 244 L N 2.198 123.387 121.223 -0.058 0.000 2.506 244 L HA 0.178 4.518 4.340 0.000 0.000 0.281 244 L C 0.539 177.395 176.870 -0.024 0.000 1.228 244 L CA -0.202 54.613 54.840 -0.043 0.000 0.850 244 L CB 0.157 42.195 42.059 -0.034 0.000 1.110 244 L HN 0.632 nan 8.230 nan 0.000 0.496 245 D N 1.218 121.606 120.400 -0.020 0.000 2.414 245 D HA -0.027 4.613 4.640 0.000 0.000 0.242 245 D C 0.731 177.028 176.300 -0.005 0.000 1.129 245 D CA -0.072 53.921 54.000 -0.011 0.000 0.885 245 D CB 0.744 41.538 40.800 -0.010 0.000 1.198 245 D HN 0.394 nan 8.370 nan 0.000 0.437 246 D N 0.754 121.155 120.400 0.001 0.000 2.411 246 D HA -0.147 4.493 4.640 0.000 0.000 0.226 246 D C 1.113 177.415 176.300 0.004 0.000 0.988 246 D CA 0.717 54.720 54.000 0.005 0.000 0.938 246 D CB 0.242 41.048 40.800 0.009 0.000 0.883 246 D HN 0.398 nan 8.370 nan 0.000 0.525 247 D N -0.344 120.057 120.400 0.001 0.000 2.323 247 D HA -0.028 4.612 4.640 0.000 0.000 0.218 247 D C 1.783 178.084 176.300 0.002 0.000 0.973 247 D CA 0.606 54.607 54.000 0.002 0.000 0.890 247 D CB 0.269 41.070 40.800 0.000 0.000 1.011 247 D HN 0.096 nan 8.370 nan 0.000 0.499 248 Q N 0.277 120.077 119.800 -0.000 0.000 2.050 248 Q HA -0.068 4.272 4.340 0.000 0.000 0.202 248 Q C 2.232 178.236 176.000 0.006 0.000 0.980 248 Q CA 1.690 57.493 55.803 0.000 0.000 0.840 248 Q CB -0.196 28.536 28.738 -0.009 0.000 0.898 248 Q HN 0.290 nan 8.270 nan 0.000 0.424 249 A N 0.883 123.706 122.820 0.005 0.000 1.898 249 A HA -0.145 4.175 4.320 0.000 0.000 0.216 249 A C 2.066 179.658 177.584 0.013 0.000 1.181 249 A CA 1.050 53.094 52.037 0.012 0.000 0.620 249 A CB -0.565 18.443 19.000 0.013 0.000 0.819 249 A HN 0.329 nan 8.150 nan 0.000 0.442 250 L N 0.681 121.910 121.223 0.009 0.000 2.131 250 L HA -0.117 4.223 4.340 0.000 0.000 0.210 250 L C 2.483 179.354 176.870 0.001 0.000 1.092 250 L CA 2.575 57.417 54.840 0.005 0.000 0.759 250 L CB -0.512 41.549 42.059 0.003 0.000 0.903 250 L HN 0.391 nan 8.230 nan 0.000 0.435 251 S N -0.906 114.796 115.700 0.004 0.000 2.387 251 S HA -0.120 4.350 4.470 0.000 0.000 0.226 251 S C 2.013 176.618 174.600 0.008 0.000 1.026 251 S CA 1.166 59.369 58.200 0.005 0.000 0.972 251 S CB -0.644 62.561 63.200 0.008 0.000 0.814 251 S HN 0.442 nan 8.310 nan 0.000 0.477 252 L N 1.397 122.629 121.223 0.015 0.000 2.012 252 L HA -0.117 4.223 4.340 0.000 0.000 0.210 252 L C 2.497 179.372 176.870 0.009 0.000 1.073 252 L CA 1.149 56.003 54.840 0.024 0.000 0.748 252 L CB -0.672 41.410 42.059 0.038 0.000 0.891 252 L HN 0.222 nan 8.230 nan 0.000 0.431 253 V N -0.335 119.575 119.914 -0.007 0.000 2.392 253 V HA -0.294 3.826 4.120 0.000 0.000 0.249 253 V C 2.268 178.317 176.094 -0.075 0.000 1.059 253 V CA 1.911 64.184 62.300 -0.046 0.000 1.051 253 V CB -0.532 31.268 31.823 -0.038 0.000 0.658 253 V HN 0.481 nan 8.190 nan 0.000 0.455 254 E N 0.194 120.371 120.200 -0.039 0.000 2.072 254 E HA -0.085 4.265 4.350 0.000 0.000 0.190 254 E C 2.365 178.958 176.600 -0.012 0.000 0.982 254 E CA 1.084 57.465 56.400 -0.032 0.000 0.803 254 E CB -0.367 29.324 29.700 -0.014 0.000 0.755 254 E HN 0.586 nan 8.360 nan 0.000 0.453 255 A N 1.644 124.465 122.820 0.001 0.000 1.873 255 A HA -0.266 4.054 4.320 0.000 0.000 0.218 255 A C 2.189 179.793 177.584 0.034 0.000 1.193 255 A CA 1.703 53.751 52.037 0.018 0.000 0.629 255 A CB -0.620 18.395 19.000 0.025 0.000 0.826 255 A HN 0.245 nan 8.150 nan 0.000 0.447 256 M N -0.274 119.345 119.600 0.031 0.000 2.082 256 M HA -0.163 4.317 4.480 0.000 0.000 0.258 256 M C 1.924 178.305 176.300 0.135 0.000 1.069 256 M CA 2.098 57.444 55.300 0.078 0.000 1.102 256 M CB -0.237 32.379 32.600 0.027 0.000 1.336 256 M HN 0.255 nan 8.290 nan 0.000 0.404 257 V N 0.185 120.089 119.914 -0.018 0.000 2.667 257 V HA -0.202 3.919 4.120 0.000 0.000 0.252 257 V C 1.620 177.885 176.094 0.285 0.000 1.065 257 V CA 1.689 64.027 62.300 0.064 0.000 1.083 257 V CB -0.774 30.955 31.823 -0.156 0.000 0.692 257 V HN 0.519 nan 8.190 nan 0.000 0.468 258 E N 0.254 120.524 120.200 0.117 0.000 2.435 258 E HA 0.314 4.664 4.350 0.000 0.000 0.195 258 E C 1.305 177.881 176.600 -0.040 0.000 1.029 258 E CA 0.567 56.998 56.400 0.052 0.000 0.865 258 E CB -0.017 29.695 29.700 0.020 0.000 0.833 258 E HN 0.498 nan 8.360 nan 0.000 0.510 259 A N 2.339 125.144 122.820 -0.026 0.000 2.872 259 A HA -0.195 4.125 4.320 0.000 0.000 0.273 259 A C -0.163 177.377 177.584 -0.074 0.000 1.442 259 A CA 0.757 52.708 52.037 -0.143 0.000 0.801 259 A CB -2.568 16.071 19.000 -0.602 0.000 1.031 259 A HN 0.463 nan 8.150 nan 0.000 0.582 260 N N 0.226 118.913 118.700 -0.022 0.000 2.485 260 N HA 0.491 5.231 4.740 0.000 0.000 0.243 260 N C 1.025 176.538 175.510 0.006 0.000 0.987 260 N CA -0.045 52.997 53.050 -0.014 0.000 0.940 260 N CB 0.898 39.380 38.487 -0.009 0.000 1.122 260 N HN 0.446 nan 8.380 nan 0.000 0.509 261 G N 1.923 110.726 108.800 0.004 0.000 2.421 261 G HA2 -0.305 3.655 3.960 0.000 0.000 0.216 261 G HA3 -0.305 3.655 3.960 0.000 0.000 0.216 261 G C 0.970 175.881 174.900 0.018 0.000 1.171 261 G CA 0.598 45.708 45.100 0.016 0.000 0.775 261 G HN 0.712 nan 8.290 nan 0.000 0.543 262 E N 0.139 120.345 120.200 0.011 0.000 2.049 262 E HA -0.238 4.113 4.350 0.000 0.000 0.198 262 E C 2.495 179.106 176.600 0.019 0.000 1.007 262 E CA 1.175 57.583 56.400 0.013 0.000 0.809 262 E CB -0.189 29.516 29.700 0.008 0.000 0.749 262 E HN 0.402 nan 8.360 nan 0.000 0.450 263 R N 0.012 120.523 120.500 0.017 0.000 2.103 263 R HA -0.175 4.165 4.340 0.000 0.000 0.242 263 R C 2.319 178.638 176.300 0.030 0.000 1.142 263 R CA 1.671 57.783 56.100 0.021 0.000 0.960 263 R CB -0.206 30.104 30.300 0.017 0.000 0.858 263 R HN 0.133 nan 8.270 nan 0.000 0.439 264 V N 0.892 120.827 119.914 0.035 0.000 2.237 264 V HA -0.307 3.813 4.120 0.000 0.000 0.245 264 V C 2.444 178.571 176.094 0.054 0.000 1.046 264 V CA 1.765 64.093 62.300 0.047 0.000 1.007 264 V CB -0.395 31.460 31.823 0.054 0.000 0.638 264 V HN 0.343 nan 8.190 nan 0.000 0.445 265 M N 0.059 119.686 119.600 0.045 0.000 2.202 265 M HA -0.109 4.372 4.480 0.000 0.000 0.262 265 M C 2.306 178.638 176.300 0.052 0.000 1.063 265 M CA 1.986 57.313 55.300 0.046 0.000 1.097 265 M CB -1.790 30.827 32.600 0.029 0.000 1.382 265 M HN 0.415 nan 8.290 nan 0.000 0.413 266 A N 0.185 123.031 122.820 0.043 0.000 1.898 266 A HA -0.088 4.232 4.320 0.000 0.000 0.216 266 A C 2.340 179.956 177.584 0.052 0.000 1.181 266 A CA 1.197 53.259 52.037 0.042 0.000 0.620 266 A CB -0.825 18.193 19.000 0.030 0.000 0.819 266 A HN 0.475 nan 8.150 nan 0.000 0.442 267 L N -0.512 120.743 121.223 0.054 0.000 2.093 267 L HA -0.129 4.211 4.340 0.000 0.000 0.208 267 L C 2.372 179.293 176.870 0.085 0.000 1.085 267 L CA 0.962 55.835 54.840 0.056 0.000 0.755 267 L CB -0.481 41.607 42.059 0.048 0.000 0.904 267 L HN 0.375 nan 8.230 nan 0.000 0.435 268 I N -0.274 120.367 120.570 0.118 0.000 2.315 268 I HA -0.255 3.915 4.170 0.000 0.000 0.248 268 I C 2.427 178.688 176.117 0.240 0.000 1.117 268 I CA 0.949 62.374 61.300 0.209 0.000 1.404 268 I CB -0.427 37.691 38.000 0.198 0.000 1.071 268 I HN 0.374 nan 8.210 nan 0.000 0.419 269 N N 1.380 120.169 118.700 0.149 0.000 2.109 269 N HA -0.238 4.503 4.740 0.000 0.000 0.188 269 N C 1.825 177.401 175.510 0.110 0.000 1.034 269 N CA 1.578 54.707 53.050 0.132 0.000 0.846 269 N CB -0.079 38.456 38.487 0.079 0.000 1.010 269 N HN 0.364 nan 8.380 nan 0.000 0.425 270 E N -0.154 120.091 120.200 0.075 0.000 2.209 270 E HA -0.132 4.218 4.350 0.000 0.000 0.196 270 E C 1.587 178.208 176.600 0.034 0.000 0.993 270 E CA 1.076 57.504 56.400 0.047 0.000 0.819 270 E CB -0.063 29.657 29.700 0.034 0.000 0.745 270 E HN 0.436 nan 8.360 nan 0.000 0.477 271 A N 0.877 123.724 122.820 0.045 0.000 1.930 271 A HA 0.109 4.429 4.320 0.000 0.000 0.215 271 A C 2.366 179.914 177.584 -0.061 0.000 1.176 271 A CA 1.155 53.181 52.037 -0.018 0.000 0.632 271 A CB -0.523 18.464 19.000 -0.022 0.000 0.819 271 A HN 0.380 nan 8.150 nan 0.000 0.445 272 A N 0.156 123.019 122.820 0.071 0.000 1.978 272 A HA 0.128 4.449 4.320 0.000 0.000 0.220 272 A C 2.431 180.046 177.584 0.052 0.000 1.170 272 A CA 1.971 54.085 52.037 0.128 0.000 0.636 272 A CB -0.914 18.330 19.000 0.407 0.000 0.810 272 A HN 1.040 nan 8.150 nan 0.000 0.448 273 A N 0.804 123.651 122.820 0.045 0.000 1.940 273 A HA -0.187 4.133 4.320 0.000 0.000 0.219 273 A C 2.023 179.604 177.584 -0.005 0.000 1.176 273 A CA 1.518 53.570 52.037 0.026 0.000 0.631 273 A CB -0.461 18.554 19.000 0.025 0.000 0.814 273 A HN 0.701 nan 8.150 nan 0.000 0.446 274 R N -0.660 119.819 120.500 -0.034 0.000 2.449 274 R HA 0.355 4.695 4.340 0.000 0.000 0.262 274 R C 0.733 176.983 176.300 -0.083 0.000 1.006 274 R CA 0.314 56.384 56.100 -0.050 0.000 1.104 274 R CB -0.941 29.329 30.300 -0.050 0.000 1.206 274 R HN 0.648 nan 8.270 nan 0.000 0.538 275 G N 2.519 111.264 108.800 -0.093 0.000 2.363 275 G HA2 -0.264 3.697 3.960 0.000 0.000 0.286 275 G HA3 -0.264 3.697 3.960 0.000 0.000 0.286 275 G C 0.113 174.876 174.900 -0.228 0.000 0.975 275 G CA 0.109 45.133 45.100 -0.126 0.000 1.309 275 G HN 0.417 nan 8.290 nan 0.000 0.491 276 I N -0.634 119.682 120.570 -0.424 0.000 3.378 276 I HA 0.337 4.507 4.170 0.000 0.000 0.284 276 I C 0.658 176.446 176.117 -0.547 0.000 1.157 276 I CA -0.335 60.644 61.300 -0.535 0.000 1.193 276 I CB 0.439 37.920 38.000 -0.865 0.000 1.461 276 I HN 0.065 nan 8.210 nan 0.000 0.674 277 E N 1.389 121.333 120.200 -0.426 0.000 2.183 277 E HA 0.100 4.450 4.350 0.000 0.000 0.250 277 E C -0.026 176.447 176.600 -0.212 0.000 0.901 277 E CA -0.312 55.941 56.400 -0.244 0.000 0.741 277 E CB 0.847 30.478 29.700 -0.116 0.000 1.182 277 E HN 0.513 nan 8.360 nan 0.000 0.425 278 W N 1.651 122.952 121.300 0.000 0.000 2.296 278 W HA -0.257 4.403 4.660 0.001 0.000 0.296 278 W C 2.081 178.600 176.519 0.000 0.000 1.220 278 W CA 1.282 58.628 57.345 0.002 0.000 1.223 278 W CB 0.013 29.474 29.460 0.002 0.000 1.139 278 W HN 0.566 nan 8.180 nan 0.000 0.534 279 E N 0.577 120.879 120.200 0.170 0.000 2.051 279 E HA -0.208 4.142 4.350 0.000 0.000 0.192 279 E C 2.288 178.925 176.600 0.061 0.000 0.991 279 E CA 1.891 58.351 56.400 0.101 0.000 0.799 279 E CB -0.489 29.248 29.700 0.061 0.000 0.748 279 E HN 0.113 nan 8.360 nan 0.000 0.449 280 A N 0.890 123.722 122.820 0.021 0.000 1.940 280 A HA -0.183 4.137 4.320 0.000 0.000 0.219 280 A C 2.280 179.867 177.584 0.004 0.000 1.176 280 A CA 1.456 53.491 52.037 -0.004 0.000 0.631 280 A CB -0.865 18.111 19.000 -0.041 0.000 0.814 280 A HN 0.450 nan 8.150 nan 0.000 0.446 281 L N -0.896 120.333 121.223 0.010 0.000 2.191 281 L HA -0.126 4.214 4.340 0.000 0.000 0.212 281 L C 2.265 179.174 176.870 0.064 0.000 1.103 281 L CA 0.992 55.851 54.840 0.032 0.000 0.769 281 L CB -0.126 41.972 42.059 0.066 0.000 0.908 281 L HN 0.434 nan 8.230 nan 0.000 0.438 282 L N -2.071 119.196 121.223 0.072 0.000 2.068 282 L HA -0.133 4.207 4.340 0.000 0.000 0.204 282 L C 2.373 179.262 176.870 0.032 0.000 1.076 282 L CA 0.534 55.407 54.840 0.056 0.000 0.753 282 L CB -0.345 41.746 42.059 0.053 0.000 0.910 282 L HN 0.013 nan 8.230 nan 0.000 0.439 283 V N -0.184 119.747 119.914 0.027 0.000 2.233 283 V HA -0.278 3.842 4.120 0.000 0.000 0.247 283 V C 2.519 178.637 176.094 0.039 0.000 1.050 283 V CA 1.755 64.069 62.300 0.023 0.000 1.010 283 V CB -0.528 31.305 31.823 0.016 0.000 0.637 283 V HN 0.436 nan 8.190 nan 0.000 0.444 284 E N -0.558 119.662 120.200 0.033 0.000 2.160 284 E HA -0.202 4.148 4.350 0.000 0.000 0.195 284 E C 2.114 178.748 176.600 0.056 0.000 0.991 284 E CA 1.329 57.752 56.400 0.039 0.000 0.810 284 E CB -0.326 29.387 29.700 0.022 0.000 0.742 284 E HN 0.565 nan 8.360 nan 0.000 0.466 285 M N -0.121 119.513 119.600 0.057 0.000 2.200 285 M HA -0.074 4.406 4.480 0.000 0.000 0.265 285 M C 2.316 178.681 176.300 0.109 0.000 1.066 285 M CA 0.849 56.190 55.300 0.068 0.000 1.127 285 M CB -0.157 32.479 32.600 0.060 0.000 1.379 285 M HN 0.074 nan 8.290 nan 0.000 0.420 286 L N -0.597 120.692 121.223 0.111 0.000 1.976 286 L HA -0.130 4.211 4.340 0.000 0.000 0.209 286 L C 2.680 179.740 176.870 0.316 0.000 1.071 286 L CA 1.575 56.540 54.840 0.208 0.000 0.746 286 L CB -1.318 40.784 42.059 0.072 0.000 0.890 286 L HN 0.366 nan 8.230 nan 0.000 0.432 287 G N -0.180 108.740 108.800 0.200 0.000 2.442 287 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 287 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 287 G C 1.654 176.672 174.900 0.197 0.000 1.141 287 G CA 0.673 45.888 45.100 0.192 0.000 0.763 287 G HN 0.217 nan 8.290 nan 0.000 0.554 288 L N -0.265 121.039 121.223 0.136 0.000 2.046 288 L HA -0.007 4.333 4.340 0.000 0.000 0.208 288 L C 2.897 179.824 176.870 0.095 0.000 1.077 288 L CA 0.594 55.490 54.840 0.093 0.000 0.747 288 L CB -0.280 41.815 42.059 0.060 0.000 0.896 288 L HN 0.201 nan 8.230 nan 0.000 0.432 289 L N -1.159 120.150 121.223 0.143 0.000 2.141 289 L HA -0.248 4.092 4.340 0.000 0.000 0.209 289 L C 2.606 179.532 176.870 0.094 0.000 1.094 289 L CA 1.052 55.975 54.840 0.138 0.000 0.763 289 L CB -0.582 41.626 42.059 0.249 0.000 0.908 289 L HN 0.361 nan 8.230 nan 0.000 0.437 290 H N 0.274 119.350 119.070 0.010 0.000 2.293 290 H HA -0.138 4.418 4.556 0.000 0.000 0.300 290 H C 2.428 177.721 175.328 -0.058 0.000 1.082 290 H CA 1.711 57.697 56.048 -0.103 0.000 1.308 290 H CB 0.059 29.780 29.762 -0.068 0.000 1.375 290 H HN 0.020 nan 8.280 nan 0.000 0.495 291 R N -0.165 120.270 120.500 -0.109 0.000 2.105 291 R HA -0.092 4.248 4.340 0.000 0.000 0.239 291 R C 2.444 178.656 176.300 -0.146 0.000 1.135 291 R CA 1.653 57.644 56.100 -0.182 0.000 0.967 291 R CB -0.231 30.044 30.300 -0.041 0.000 0.861 291 R HN 0.448 nan 8.270 nan 0.000 0.442 292 I N 0.103 120.624 120.570 -0.081 0.000 2.394 292 I HA -0.219 3.951 4.170 0.000 0.000 0.251 292 I C 2.501 178.570 176.117 -0.080 0.000 1.136 292 I CA 1.011 62.275 61.300 -0.060 0.000 1.425 292 I CB -0.343 37.641 38.000 -0.027 0.000 1.079 292 I HN 0.167 nan 8.210 nan 0.000 0.425 293 A N 0.887 123.638 122.820 -0.115 0.000 1.898 293 A HA -0.152 4.168 4.320 0.000 0.000 0.216 293 A C 2.397 179.897 177.584 -0.140 0.000 1.181 293 A CA 1.209 53.176 52.037 -0.117 0.000 0.620 293 A CB -0.348 18.570 19.000 -0.138 0.000 0.819 293 A HN 0.230 nan 8.150 nan 0.000 0.442 294 M N -0.382 119.087 119.600 -0.218 0.000 2.086 294 M HA -0.105 4.375 4.480 0.000 0.000 0.261 294 M C 2.164 178.396 176.300 -0.114 0.000 1.067 294 M CA 1.306 56.492 55.300 -0.191 0.000 1.116 294 M CB -1.198 31.238 32.600 -0.273 0.000 1.348 294 M HN 0.228 nan 8.290 nan 0.000 0.407 295 V N 0.600 120.452 119.914 -0.103 0.000 2.688 295 V HA -0.253 3.867 4.120 0.000 0.000 0.256 295 V C 2.103 178.168 176.094 -0.049 0.000 1.084 295 V CA 1.481 63.743 62.300 -0.064 0.000 1.103 295 V CB -0.934 30.857 31.823 -0.054 0.000 0.688 295 V HN 0.565 nan 8.190 nan 0.000 0.480 296 Q N -1.221 118.549 119.800 -0.052 0.000 2.432 296 Q HA 0.015 4.355 4.340 0.000 0.000 0.205 296 Q C 1.887 177.867 176.000 -0.033 0.000 0.945 296 Q CA 0.547 56.329 55.803 -0.035 0.000 0.924 296 Q CB 0.132 28.852 28.738 -0.030 0.000 1.016 296 Q HN 0.512 nan 8.270 nan 0.000 0.503 297 L N -0.273 120.924 121.223 -0.043 0.000 2.265 297 L HA 0.108 4.448 4.340 0.000 0.000 0.195 297 L C 0.414 177.265 176.870 -0.031 0.000 1.083 297 L CA 1.008 55.826 54.840 -0.037 0.000 0.798 297 L CB 0.473 42.505 42.059 -0.044 0.000 0.989 297 L HN -0.019 nan 8.230 nan 0.000 0.472 298 S N -0.145 115.533 115.700 -0.037 0.000 2.718 298 S HA 0.439 4.909 4.470 0.000 0.000 0.294 298 S C -1.901 172.681 174.600 -0.030 0.000 1.157 298 S CA -1.240 56.942 58.200 -0.029 0.000 1.121 298 S CB 0.947 64.130 63.200 -0.027 0.000 1.015 298 S HN 0.187 nan 8.310 nan 0.000 0.479 299 P HA -0.124 nan 4.420 nan 0.000 0.227 299 P C 1.028 178.316 177.300 -0.020 0.000 1.145 299 P CA 1.073 64.160 63.100 -0.021 0.000 0.769 299 P CB -0.057 31.634 31.700 -0.016 0.000 0.769 300 A N -0.360 122.449 122.820 -0.019 0.000 2.251 300 A HA 0.384 4.704 4.320 0.000 0.000 0.209 300 A C 2.324 179.897 177.584 -0.019 0.000 1.187 300 A CA 0.697 52.725 52.037 -0.016 0.000 0.823 300 A CB -0.785 18.208 19.000 -0.012 0.000 0.846 300 A HN 0.198 nan 8.150 nan 0.000 0.486 301 A N 0.295 123.098 122.820 -0.029 0.000 1.948 301 A HA -0.001 4.320 4.320 0.000 0.000 0.220 301 A C 1.122 178.689 177.584 -0.028 0.000 1.177 301 A CA 0.600 52.615 52.037 -0.036 0.000 0.636 301 A CB -0.686 18.277 19.000 -0.062 0.000 0.815 301 A HN 0.495 nan 8.150 nan 0.000 0.449 302 L N 0.139 121.348 121.223 -0.024 0.000 2.559 302 L HA 0.199 4.540 4.340 0.000 0.000 0.282 302 L C 1.309 178.177 176.870 -0.004 0.000 1.232 302 L CA -0.145 54.686 54.840 -0.014 0.000 0.885 302 L CB -0.069 41.983 42.059 -0.012 0.000 1.131 302 L HN 0.360 nan 8.230 nan 0.000 0.498 303 G N 1.405 110.207 108.800 0.003 0.000 2.616 303 G HA2 -0.022 3.938 3.960 0.000 0.000 0.268 303 G HA3 -0.022 3.938 3.960 0.000 0.000 0.268 303 G C 0.720 175.625 174.900 0.009 0.000 1.213 303 G CA -0.423 44.682 45.100 0.009 0.000 0.926 303 G HN 0.789 nan 8.290 nan 0.000 0.523 304 N N -0.577 118.130 118.700 0.012 0.000 2.106 304 N HA -0.130 4.611 4.740 0.000 0.000 0.188 304 N C 1.358 176.875 175.510 0.011 0.000 1.029 304 N CA 1.182 54.239 53.050 0.011 0.000 0.848 304 N CB 0.032 38.527 38.487 0.014 0.000 1.007 304 N HN 0.501 nan 8.380 nan 0.000 0.423 305 D N 0.245 120.653 120.400 0.014 0.000 2.363 305 D HA 0.005 4.645 4.640 0.000 0.000 0.220 305 D C 1.709 178.015 176.300 0.010 0.000 0.994 305 D CA 0.113 54.120 54.000 0.013 0.000 0.890 305 D CB 0.035 40.845 40.800 0.016 0.000 0.906 305 D HN 0.197 nan 8.370 nan 0.000 0.530 306 M N -0.058 119.548 119.600 0.010 0.000 2.446 306 M HA -0.040 4.441 4.480 0.000 0.000 0.263 306 M C 2.096 178.399 176.300 0.004 0.000 1.066 306 M CA 0.367 55.672 55.300 0.007 0.000 1.087 306 M CB -0.847 31.757 32.600 0.007 0.000 1.406 306 M HN 0.025 nan 8.290 nan 0.000 0.459 307 A N 0.731 123.553 122.820 0.003 0.000 1.997 307 A HA -0.160 4.161 4.320 0.000 0.000 0.221 307 A C 2.453 180.037 177.584 0.001 0.000 1.172 307 A CA 2.171 54.209 52.037 0.001 0.000 0.645 307 A CB -0.765 18.236 19.000 0.001 0.000 0.813 307 A HN 0.511 nan 8.150 nan 0.000 0.454 308 A N 0.085 122.906 122.820 0.001 0.000 1.933 308 A HA -0.046 4.274 4.320 0.000 0.000 0.218 308 A C 2.033 179.617 177.584 0.001 0.000 1.175 308 A CA 1.558 53.596 52.037 0.001 0.000 0.628 308 A CB -0.530 18.471 19.000 0.001 0.000 0.814 308 A HN 1.198 nan 8.150 nan 0.000 0.444 309 I N -2.842 117.729 120.570 0.001 0.000 3.956 309 I HA 0.241 4.411 4.170 0.000 0.000 0.333 309 I C 1.475 177.592 176.117 -0.001 0.000 1.302 309 I CA 0.862 62.162 61.300 0.001 0.000 1.122 309 I CB -0.002 37.999 38.000 0.002 0.000 1.013 309 I HN 0.384 nan 8.210 nan 0.000 0.405 310 E N 1.442 121.641 120.200 -0.001 0.000 2.130 310 E HA -0.284 4.066 4.350 0.000 0.000 0.196 310 E C 2.066 178.664 176.600 -0.004 0.000 0.998 310 E CA 1.909 58.307 56.400 -0.003 0.000 0.806 310 E CB -0.072 29.627 29.700 -0.002 0.000 0.738 310 E HN 0.626 nan 8.360 nan 0.000 0.459 311 L N 0.719 121.941 121.223 -0.003 0.000 2.056 311 L HA -0.083 4.257 4.340 0.000 0.000 0.207 311 L C 2.302 179.170 176.870 -0.003 0.000 1.078 311 L CA 1.645 56.484 54.840 -0.003 0.000 0.749 311 L CB -0.178 41.880 42.059 -0.002 0.000 0.901 311 L HN -0.014 nan 8.230 nan 0.000 0.433 312 R N -1.716 118.783 120.500 -0.003 0.000 2.073 312 R HA -0.046 4.294 4.340 0.000 0.000 0.229 312 R C 2.195 178.491 176.300 -0.006 0.000 1.120 312 R CA 1.461 57.558 56.100 -0.004 0.000 0.967 312 R CB -0.319 29.980 30.300 -0.003 0.000 0.862 312 R HN 0.262 nan 8.270 nan 0.000 0.436 313 M N 0.417 120.013 119.600 -0.006 0.000 2.108 313 M HA -0.187 4.293 4.480 0.000 0.000 0.261 313 M C 2.049 178.342 176.300 -0.012 0.000 1.066 313 M CA 1.736 57.030 55.300 -0.009 0.000 1.107 313 M CB -0.761 31.833 32.600 -0.009 0.000 1.356 313 M HN 0.114 nan 8.290 nan 0.000 0.406 314 R N -0.469 120.025 120.500 -0.010 0.000 2.115 314 R HA -0.169 4.172 4.340 0.000 0.000 0.230 314 R C 2.125 178.420 176.300 -0.007 0.000 1.111 314 R CA 1.263 57.357 56.100 -0.010 0.000 0.976 314 R CB -0.214 30.081 30.300 -0.008 0.000 0.870 314 R HN 0.332 nan 8.270 nan 0.000 0.445 315 E N 1.180 121.377 120.200 -0.005 0.000 2.028 315 E HA -0.134 4.216 4.350 0.000 0.000 0.191 315 E C 1.883 178.482 176.600 -0.002 0.000 0.988 315 E CA 1.167 57.566 56.400 -0.002 0.000 0.799 315 E CB -0.240 29.459 29.700 -0.001 0.000 0.755 315 E HN 0.175 nan 8.360 nan 0.000 0.447 316 L N 0.265 121.485 121.223 -0.006 0.000 1.990 316 L HA -0.282 4.058 4.340 0.000 0.000 0.213 316 L C 2.595 179.463 176.870 -0.004 0.000 1.072 316 L CA 1.434 56.269 54.840 -0.008 0.000 0.755 316 L CB -0.905 41.142 42.059 -0.020 0.000 0.889 316 L HN 0.257 nan 8.230 nan 0.000 0.432 317 A N 1.191 124.006 122.820 -0.009 0.000 1.929 317 A HA -0.316 4.005 4.320 0.000 0.000 0.221 317 A C 2.282 179.864 177.584 -0.004 0.000 1.211 317 A CA 2.812 54.843 52.037 -0.010 0.000 0.657 317 A CB -0.714 18.276 19.000 -0.017 0.000 0.827 317 A HN 0.637 nan 8.150 nan 0.000 0.462 318 R N -0.884 119.616 120.500 -0.001 0.000 2.210 318 R HA 0.026 4.366 4.340 0.000 0.000 0.203 318 R C 1.746 178.051 176.300 0.009 0.000 1.010 318 R CA 1.679 57.781 56.100 0.002 0.000 1.008 318 R CB -0.978 29.323 30.300 0.001 0.000 0.923 318 R HN 0.490 nan 8.270 nan 0.000 0.469 319 T N -1.506 113.056 114.554 0.012 0.000 3.044 319 T HA 0.280 4.630 4.350 0.000 0.000 0.255 319 T C 0.858 175.577 174.700 0.031 0.000 1.073 319 T CA 0.006 62.118 62.100 0.020 0.000 1.125 319 T CB -0.043 68.837 68.868 0.020 0.000 0.908 319 T HN 0.111 nan 8.240 nan 0.000 0.480 320 I N 2.866 123.454 120.570 0.031 0.000 2.321 320 I HA 0.375 4.545 4.170 0.000 0.000 0.291 320 I C -2.662 173.484 176.117 0.048 0.000 0.998 320 I CA -2.958 58.371 61.300 0.049 0.000 1.227 320 I CB 1.519 39.547 38.000 0.047 0.000 1.368 320 I HN -0.121 nan 8.210 nan 0.000 0.466 321 P HA 0.016 nan 4.420 nan 0.000 0.264 321 P C -1.801 175.525 177.300 0.043 0.000 1.193 321 P CA -0.883 62.240 63.100 0.039 0.000 0.763 321 P CB 0.121 31.843 31.700 0.036 0.000 0.810 322 P HA -0.201 nan 4.420 nan 0.000 0.218 322 P C 1.205 178.520 177.300 0.025 0.000 1.146 322 P CA 1.675 64.788 63.100 0.022 0.000 0.813 322 P CB -0.189 31.513 31.700 0.003 0.000 0.778 323 T N 0.262 114.825 114.554 0.016 0.000 2.674 323 T HA -0.132 4.218 4.350 0.000 0.000 0.265 323 T C 1.373 176.070 174.700 -0.005 0.000 1.039 323 T CA 2.011 64.112 62.100 0.002 0.000 1.150 323 T CB -0.868 67.996 68.868 -0.006 0.000 0.864 323 T HN 0.130 nan 8.240 nan 0.000 0.427 324 D N 0.924 121.327 120.400 0.005 0.000 2.104 324 D HA -0.032 4.608 4.640 0.000 0.000 0.194 324 D C 2.009 178.371 176.300 0.103 0.000 0.994 324 D CA 0.795 54.779 54.000 -0.027 0.000 0.830 324 D CB -0.452 40.395 40.800 0.079 0.000 0.959 324 D HN 0.358 nan 8.370 nan 0.000 0.452 325 I N 0.639 121.334 120.570 0.208 0.000 2.423 325 I HA -0.241 3.929 4.170 0.000 0.000 0.254 325 I C 2.259 178.502 176.117 0.210 0.000 1.151 325 I CA 0.844 62.310 61.300 0.276 0.000 1.421 325 I CB -0.079 38.001 38.000 0.134 0.000 1.079 325 I HN 0.009 nan 8.210 nan 0.000 0.431 326 Q N 0.183 120.046 119.800 0.106 0.000 2.123 326 Q HA -0.157 4.183 4.340 0.000 0.000 0.199 326 Q C 2.209 178.269 176.000 0.100 0.000 0.966 326 Q CA 1.236 57.096 55.803 0.095 0.000 0.845 326 Q CB -0.348 28.413 28.738 0.039 0.000 0.907 326 Q HN 0.475 nan 8.270 nan 0.000 0.439 327 L N -0.581 120.635 121.223 -0.012 0.000 1.994 327 L HA -0.155 4.185 4.340 0.000 0.000 0.208 327 L C 1.971 178.801 176.870 -0.068 0.000 1.071 327 L CA 1.856 56.627 54.840 -0.116 0.000 0.745 327 L CB -1.405 40.491 42.059 -0.271 0.000 0.892 327 L HN 0.030 nan 8.230 nan 0.000 0.431 328 Y N -1.160 119.166 120.300 0.042 0.000 2.165 328 Y HA -0.282 4.268 4.550 0.000 0.000 0.286 328 Y C 2.644 178.598 175.900 0.089 0.000 1.155 328 Y CA 2.379 60.511 58.100 0.054 0.000 1.164 328 Y CB -1.246 37.247 38.460 0.054 0.000 0.978 328 Y HN 0.349 nan 8.280 nan 0.000 0.513 329 Y N 0.737 121.137 120.300 0.167 0.000 2.242 329 Y HA -0.271 4.279 4.550 0.001 0.000 0.291 329 Y C 2.592 178.527 175.900 0.059 0.000 1.137 329 Y CA 1.878 60.041 58.100 0.104 0.000 1.181 329 Y CB -0.380 38.135 38.460 0.091 0.000 0.989 329 Y HN 0.215 nan 8.280 nan 0.000 0.527 330 Q N -0.748 119.109 119.800 0.095 0.000 2.049 330 Q HA -0.144 4.196 4.340 0.000 0.000 0.198 330 Q C 2.039 177.994 176.000 -0.076 0.000 0.971 330 Q CA 2.269 58.064 55.803 -0.013 0.000 0.833 330 Q CB -0.161 28.589 28.738 0.019 0.000 0.896 330 Q HN 0.433 nan 8.270 nan 0.000 0.434 331 T N 1.589 116.114 114.554 -0.047 0.000 2.635 331 T HA -0.189 4.161 4.350 0.000 0.000 0.267 331 T C 1.739 176.418 174.700 -0.035 0.000 1.040 331 T CA 1.546 63.620 62.100 -0.044 0.000 1.156 331 T CB -0.327 68.543 68.868 0.002 0.000 0.863 331 T HN 0.260 nan 8.240 nan 0.000 0.430 332 L N -0.016 121.188 121.223 -0.031 0.000 2.201 332 L HA -0.001 4.340 4.340 0.000 0.000 0.212 332 L C 2.404 179.203 176.870 -0.120 0.000 1.105 332 L CA 0.584 55.395 54.840 -0.048 0.000 0.775 332 L CB -0.459 41.585 42.059 -0.025 0.000 0.913 332 L HN 0.206 nan 8.230 nan 0.000 0.440 333 L N -0.020 121.073 121.223 -0.217 0.000 2.049 333 L HA -0.116 4.224 4.340 0.000 0.000 0.203 333 L C 2.347 179.151 176.870 -0.109 0.000 1.074 333 L CA 1.450 56.154 54.840 -0.225 0.000 0.749 333 L CB -0.177 41.685 42.059 -0.328 0.000 0.907 333 L HN 0.008 nan 8.230 nan 0.000 0.439 334 I N -0.107 120.408 120.570 -0.091 0.000 2.236 334 I HA -0.315 3.856 4.170 0.000 0.000 0.249 334 I C 2.322 178.422 176.117 -0.028 0.000 1.102 334 I CA 1.546 62.813 61.300 -0.054 0.000 1.365 334 I CB -0.897 37.066 38.000 -0.062 0.000 1.051 334 I HN 0.488 nan 8.210 nan 0.000 0.420 335 G N -0.071 108.712 108.800 -0.027 0.000 2.470 335 G HA2 -0.254 3.707 3.960 0.000 0.000 0.220 335 G HA3 -0.254 3.707 3.960 0.000 0.000 0.220 335 G C 1.759 176.667 174.900 0.012 0.000 1.121 335 G CA 0.448 45.548 45.100 0.000 0.000 0.766 335 G HN 0.322 nan 8.290 nan 0.000 0.553 336 R N 0.307 120.804 120.500 -0.005 0.000 2.127 336 R HA 0.103 4.444 4.340 0.000 0.000 0.217 336 R C 2.362 178.680 176.300 0.031 0.000 1.074 336 R CA 0.808 56.913 56.100 0.009 0.000 0.991 336 R CB -0.129 30.161 30.300 -0.017 0.000 0.895 336 R HN 0.242 nan 8.270 nan 0.000 0.450 337 K N 0.471 120.888 120.400 0.029 0.000 2.026 337 K HA -0.159 4.161 4.320 0.000 0.000 0.208 337 K C 1.899 178.584 176.600 0.141 0.000 1.048 337 K CA 1.911 58.237 56.287 0.065 0.000 0.929 337 K CB -0.046 32.473 32.500 0.032 0.000 0.713 337 K HN 0.337 nan 8.250 nan 0.000 0.439 338 E N 1.059 121.326 120.200 0.112 0.000 2.031 338 E HA -0.220 4.130 4.350 0.000 0.000 0.193 338 E C 2.008 178.720 176.600 0.188 0.000 0.994 338 E CA 0.827 57.327 56.400 0.166 0.000 0.800 338 E CB -0.321 29.426 29.700 0.079 0.000 0.752 338 E HN 0.069 nan 8.360 nan 0.000 0.447 339 L N 1.418 122.697 121.223 0.093 0.000 2.223 339 L HA -0.252 4.088 4.340 0.000 0.000 0.230 339 L C -0.907 175.965 176.870 0.003 0.000 1.110 339 L CA 2.424 57.293 54.840 0.049 0.000 0.834 339 L CB -1.224 40.859 42.059 0.041 0.000 0.915 339 L HN 0.117 nan 8.230 nan 0.000 0.450 340 P HA -0.074 nan 4.420 nan 0.000 0.231 340 P C 0.758 177.864 177.300 -0.323 0.000 1.168 340 P CA 1.243 64.196 63.100 -0.245 0.000 0.779 340 P CB -0.052 31.397 31.700 -0.418 0.000 0.844 341 Y N -0.694 119.604 120.300 -0.003 0.000 2.497 341 Y HA 0.357 4.907 4.550 -0.000 0.000 0.265 341 Y C 1.500 177.394 175.900 -0.011 0.000 1.111 341 Y CA -0.459 57.638 58.100 -0.006 0.000 1.288 341 Y CB -0.707 37.750 38.460 -0.005 0.000 1.082 341 Y HN -0.182 nan 8.280 nan 0.000 0.536 342 A N 2.366 125.251 122.820 0.108 0.000 2.483 342 A HA 0.066 4.387 4.320 0.000 0.000 0.238 342 A C -0.955 176.639 177.584 0.016 0.000 1.070 342 A CA -0.901 51.165 52.037 0.048 0.000 0.770 342 A CB -0.191 18.817 19.000 0.013 0.000 1.008 342 A HN 0.168 nan 8.150 nan 0.000 0.497 343 P HA -0.095 nan 4.420 nan 0.000 0.219 343 P C -0.016 177.267 177.300 -0.029 0.000 1.146 343 P CA 1.886 64.981 63.100 -0.008 0.000 0.808 343 P CB -0.037 31.656 31.700 -0.012 0.000 0.779 344 D N -2.444 117.925 120.400 -0.051 0.000 2.937 344 D HA 0.161 4.801 4.640 0.000 0.000 0.215 344 D C 1.156 177.383 176.300 -0.121 0.000 1.274 344 D CA -0.739 53.213 54.000 -0.079 0.000 0.869 344 D CB 1.278 42.023 40.800 -0.093 0.000 1.675 344 D HN -0.387 nan 8.370 nan 0.000 0.538 345 R N 1.886 122.322 120.500 -0.107 0.000 2.096 345 R HA -0.171 4.169 4.340 0.000 0.000 0.240 345 R C 1.994 178.084 176.300 -0.350 0.000 1.139 345 R CA 1.461 57.493 56.100 -0.112 0.000 0.952 345 R CB -0.228 30.095 30.300 0.038 0.000 0.854 345 R HN 0.510 nan 8.270 nan 0.000 0.436 346 R N 0.500 120.566 120.500 -0.724 0.000 2.152 346 R HA -0.089 4.251 4.340 0.000 0.000 0.232 346 R C 2.231 178.105 176.300 -0.710 0.000 1.117 346 R CA 1.315 56.594 56.100 -1.369 0.000 0.981 346 R CB -0.081 29.431 30.300 -1.314 0.000 0.870 346 R HN 0.219 nan 8.270 nan 0.000 0.451 347 M N -0.591 118.775 119.600 -0.391 0.000 2.193 347 M HA -0.010 4.471 4.480 0.000 0.000 0.265 347 M C 2.033 178.242 176.300 -0.153 0.000 1.071 347 M CA 1.694 56.857 55.300 -0.228 0.000 1.140 347 M CB -0.177 32.334 32.600 -0.148 0.000 1.369 347 M HN 0.366 nan 8.290 nan 0.000 0.423 348 G N -0.171 108.554 108.800 -0.124 0.000 2.469 348 G HA2 -0.217 3.743 3.960 0.000 0.000 0.219 348 G HA3 -0.217 3.743 3.960 0.000 0.000 0.219 348 G C 1.256 176.131 174.900 -0.042 0.000 1.150 348 G CA 1.341 46.409 45.100 -0.053 0.000 0.763 348 G HN 0.409 nan 8.290 nan 0.000 0.561 349 V N 0.665 120.536 119.914 -0.073 0.000 2.515 349 V HA -0.142 3.979 4.120 0.000 0.000 0.250 349 V C 2.573 178.658 176.094 -0.015 0.000 1.058 349 V CA 2.077 64.372 62.300 -0.007 0.000 1.064 349 V CB -0.490 31.374 31.823 0.069 0.000 0.675 349 V HN 0.485 nan 8.190 nan 0.000 0.461 350 E N -0.322 119.828 120.200 -0.083 0.000 2.107 350 E HA -0.193 4.157 4.350 0.000 0.000 0.191 350 E C 2.092 178.687 176.600 -0.008 0.000 0.982 350 E CA 1.303 57.674 56.400 -0.048 0.000 0.809 350 E CB -0.195 29.449 29.700 -0.092 0.000 0.756 350 E HN 0.474 nan 8.360 nan 0.000 0.459 351 M N 0.700 120.291 119.600 -0.015 0.000 2.200 351 M HA -0.087 4.394 4.480 0.000 0.000 0.265 351 M C 2.095 178.419 176.300 0.040 0.000 1.066 351 M CA 1.537 56.844 55.300 0.012 0.000 1.127 351 M CB -0.171 32.430 32.600 0.003 0.000 1.379 351 M HN -0.096 nan 8.290 nan 0.000 0.420 352 T N 0.627 115.203 114.554 0.036 0.000 2.759 352 T HA -0.124 4.227 4.350 0.000 0.000 0.269 352 T C 1.745 176.492 174.700 0.078 0.000 1.042 352 T CA 1.578 63.708 62.100 0.051 0.000 1.140 352 T CB -0.348 68.545 68.868 0.042 0.000 0.864 352 T HN 0.355 nan 8.240 nan 0.000 0.455 353 L N 0.069 121.338 121.223 0.076 0.000 2.095 353 L HA 0.142 4.482 4.340 0.000 0.000 0.204 353 L C 2.295 179.230 176.870 0.108 0.000 1.080 353 L CA 0.759 55.658 54.840 0.099 0.000 0.759 353 L CB -0.338 41.773 42.059 0.086 0.000 0.914 353 L HN 0.211 nan 8.230 nan 0.000 0.439 354 L N -0.569 120.702 121.223 0.080 0.000 2.353 354 L HA -0.204 4.136 4.340 0.000 0.000 0.220 354 L C 2.663 179.594 176.870 0.102 0.000 1.133 354 L CA 0.880 55.764 54.840 0.073 0.000 0.798 354 L CB -0.395 41.688 42.059 0.042 0.000 0.922 354 L HN 0.269 nan 8.230 nan 0.000 0.445 355 R N -0.201 120.386 120.500 0.146 0.000 2.057 355 R HA -0.039 4.301 4.340 0.000 0.000 0.224 355 R C 2.453 178.940 176.300 0.312 0.000 1.136 355 R CA 1.084 57.337 56.100 0.256 0.000 0.968 355 R CB -0.207 30.229 30.300 0.228 0.000 0.863 355 R HN 0.288 nan 8.270 nan 0.000 0.433 356 A N 1.060 124.017 122.820 0.228 0.000 1.948 356 A HA -0.188 4.132 4.320 0.000 0.000 0.220 356 A C 1.926 179.680 177.584 0.283 0.000 1.177 356 A CA 1.249 53.432 52.037 0.243 0.000 0.636 356 A CB -0.434 18.731 19.000 0.274 0.000 0.815 356 A HN 0.193 nan 8.150 nan 0.000 0.449 357 L N -0.864 120.497 121.223 0.231 0.000 2.072 357 L HA -0.002 4.338 4.340 0.000 0.000 0.205 357 L C 2.894 179.843 176.870 0.131 0.000 1.079 357 L CA 1.843 56.800 54.840 0.196 0.000 0.752 357 L CB -1.153 40.974 42.059 0.114 0.000 0.906 357 L HN 0.393 nan 8.230 nan 0.000 0.436 358 A N -2.069 120.787 122.820 0.061 0.000 2.014 358 A HA -0.092 4.229 4.320 0.000 0.000 0.218 358 A C 1.613 179.061 177.584 -0.226 0.000 1.163 358 A CA 0.954 52.915 52.037 -0.126 0.000 0.652 358 A CB -0.593 18.252 19.000 -0.258 0.000 0.808 358 A HN 0.364 nan 8.150 nan 0.000 0.449 359 F N -0.901 119.080 119.950 0.052 0.000 2.684 359 F HA 0.220 4.747 4.527 -0.000 0.000 0.298 359 F C 0.687 176.493 175.800 0.010 0.000 1.120 359 F CA -0.632 57.378 58.000 0.016 0.000 1.332 359 F CB -0.257 38.730 39.000 -0.023 0.000 0.986 359 F HN 0.309 nan 8.300 nan 0.000 0.524 360 H N 3.339 122.471 119.070 0.104 0.000 2.964 360 H HA 0.036 4.592 4.556 0.000 0.000 0.328 360 H C -1.343 174.010 175.328 0.042 0.000 1.030 360 H CA -1.154 54.938 56.048 0.073 0.000 1.445 360 H CB 1.075 30.905 29.762 0.113 0.000 1.449 360 H HN -0.070 nan 8.280 nan 0.000 0.581 361 P HA -0.138 nan 4.420 nan 0.000 0.217 361 P C 0.912 178.292 177.300 0.135 0.000 1.151 361 P CA 1.063 64.154 63.100 -0.016 0.000 0.828 361 P CB 0.513 32.125 31.700 -0.147 0.000 0.788 362 R N -1.109 119.587 120.500 0.326 0.000 2.223 362 R HA 0.354 4.694 4.340 0.000 0.000 0.198 362 R C 1.004 177.434 176.300 0.217 0.000 0.984 362 R CA 0.398 56.663 56.100 0.275 0.000 1.018 362 R CB -0.216 30.258 30.300 0.290 0.000 0.945 362 R HN 0.344 nan 8.270 nan 0.000 0.479 363 M N -0.072 119.687 119.600 0.267 0.000 2.389 363 M HA 0.334 4.814 4.480 0.000 0.000 0.291 363 M C -2.851 173.450 176.300 0.001 0.000 1.128 363 M CA -1.457 53.861 55.300 0.030 0.000 0.942 363 M CB 3.868 36.407 32.600 -0.102 0.000 1.783 363 M HN -0.183 nan 8.290 nan 0.000 0.501 364 P HA 0.562 nan 4.420 nan 0.000 0.300 364 P C -1.604 175.675 177.300 -0.035 0.000 1.233 364 P CA -0.818 62.287 63.100 0.010 0.000 1.182 364 P CB 1.585 33.302 31.700 0.028 0.000 1.704 365 L N 1.754 122.948 121.223 -0.048 0.000 2.513 365 L HA 0.249 4.589 4.340 0.000 0.000 0.272 365 L C -1.296 175.537 176.870 -0.062 0.000 1.187 365 L CA -0.991 53.815 54.840 -0.056 0.000 0.895 365 L CB -0.541 41.480 42.059 -0.063 0.000 1.147 365 L HN 0.300 nan 8.230 nan 0.000 0.483 366 P HA 0.453 nan 4.420 nan 0.000 0.280 366 P C -0.898 176.379 177.300 -0.039 0.000 1.272 366 P CA -0.568 62.508 63.100 -0.040 0.000 0.819 366 P CB 1.924 33.607 31.700 -0.030 0.000 1.122 367 E N -0.355 119.825 120.200 -0.033 0.000 2.401 367 E HA 0.404 4.754 4.350 0.000 0.000 0.280 367 E C -2.116 174.471 176.600 -0.022 0.000 1.039 367 E CA -0.984 55.399 56.400 -0.029 0.000 0.814 367 E CB 1.545 31.224 29.700 -0.035 0.000 1.275 367 E HN 0.587 nan 8.360 nan 0.000 0.448 368 P HA 0.000 nan 4.420 nan 0.000 0.216 368 P CA 0.000 63.092 63.100 -0.014 0.000 0.800 368 P CB 0.000 31.693 31.700 -0.012 0.000 0.726