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_H 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 0.000 175.914 175.900 0.023 0.000 1.272 3 Y CA 0.000 58.111 58.100 0.018 0.000 1.940 3 Y CB 0.000 38.467 38.460 0.012 0.000 1.050 4 Q N 2.633 122.524 119.800 0.152 0.000 3.565 4 Q HA 0.180 4.521 4.340 0.000 0.000 0.127 4 Q C -1.754 174.301 176.000 0.092 0.000 0.965 4 Q CA -0.413 55.435 55.803 0.074 0.000 1.282 4 Q CB 1.298 30.078 28.738 0.070 0.000 1.464 4 Q HN 0.983 nan 8.270 nan 0.000 0.598 5 V N 1.140 121.098 119.914 0.074 0.000 2.398 5 V HA 0.459 4.580 4.120 0.000 0.000 0.286 5 V C 1.452 177.611 176.094 0.108 0.000 1.026 5 V CA -0.708 61.637 62.300 0.076 0.000 0.868 5 V CB 1.037 32.890 31.823 0.051 0.000 0.982 5 V HN 0.945 nan 8.190 nan 0.000 0.443 6 L N 3.328 124.629 121.223 0.130 0.000 2.123 6 L HA -0.295 4.046 4.340 0.000 0.000 0.217 6 L C 2.781 179.768 176.870 0.194 0.000 1.081 6 L CA 2.283 57.246 54.840 0.205 0.000 0.772 6 L CB -0.831 41.226 42.059 -0.004 0.000 0.890 6 L HN 0.898 nan 8.230 nan 0.000 0.437 7 A N -0.514 122.361 122.820 0.092 0.000 2.131 7 A HA -0.219 4.101 4.320 0.000 0.000 0.220 7 A C 2.501 180.138 177.584 0.089 0.000 1.158 7 A CA 1.891 53.971 52.037 0.072 0.000 0.665 7 A CB -0.489 18.532 19.000 0.036 0.000 0.795 7 A HN 0.488 nan 8.150 nan 0.000 0.460 8 R N -0.927 119.630 120.500 0.096 0.000 2.191 8 R HA 0.124 4.464 4.340 0.000 0.000 0.196 8 R C 2.017 178.353 176.300 0.059 0.000 0.991 8 R CA 0.747 56.883 56.100 0.059 0.000 1.075 8 R CB -0.183 30.131 30.300 0.024 0.000 1.040 8 R HN 0.385 nan 8.270 nan 0.000 0.526 9 K N -0.400 120.063 120.400 0.104 0.000 2.362 9 K HA -0.115 4.205 4.320 0.000 0.000 0.200 9 K C 0.128 176.648 176.600 -0.134 0.000 1.046 9 K CA 1.100 57.389 56.287 0.003 0.000 0.952 9 K CB 0.138 32.679 32.500 0.068 0.000 0.753 9 K HN 0.213 nan 8.250 nan 0.000 0.466 10 W N 1.051 122.339 121.300 -0.020 0.000 2.846 10 W HA 0.303 4.963 4.660 0.000 0.000 0.391 10 W C -0.203 176.307 176.519 -0.016 0.000 1.011 10 W CA -0.754 56.582 57.345 -0.015 0.000 1.832 10 W CB 0.321 29.773 29.460 -0.012 0.000 1.151 10 W HN -0.173 nan 8.180 nan 0.000 0.582 11 R N 2.636 123.215 120.500 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 -1.218 54.925 56.100 0.072 0.000 1.041 11 R CB 0.135 30.454 30.300 0.033 0.000 0.930 11 R HN -0.222 nan 8.270 nan 0.000 0.413 12 P HA -0.140 nan 4.420 nan 0.000 0.257 12 P C -0.322 176.986 177.300 0.014 0.000 1.153 12 P CA 0.477 63.601 63.100 0.040 0.000 0.762 12 P CB 0.670 32.392 31.700 0.037 0.000 0.743 13 Q N 0.794 120.593 119.800 -0.001 0.000 2.396 13 Q HA 0.099 4.440 4.340 0.000 0.000 0.220 13 Q C 0.451 176.437 176.000 -0.023 0.000 0.900 13 Q CA 1.144 56.930 55.803 -0.027 0.000 0.925 13 Q CB 0.384 29.091 28.738 -0.051 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 0.310 175.103 174.700 0.155 0.000 1.052 14 T CA -0.640 61.476 62.100 0.027 0.000 1.017 14 T CB 0.906 69.780 68.868 0.011 0.000 1.137 14 T HN -0.158 nan 8.240 nan 0.000 0.511 15 F N 1.107 121.017 119.950 -0.068 0.000 2.451 15 F HA 0.088 4.615 4.527 0.000 0.000 0.299 15 F C 2.373 178.133 175.800 -0.067 0.000 1.101 15 F CA 0.207 58.159 58.000 -0.080 0.000 1.436 15 F CB -1.033 37.916 39.000 -0.084 0.000 1.074 15 F HN 0.719 nan 8.300 nan 0.000 0.553 16 A N -0.510 122.390 122.820 0.134 0.000 1.975 16 A HA -0.085 4.235 4.320 0.000 0.000 0.215 16 A C 1.953 179.557 177.584 0.035 0.000 1.170 16 A CA 1.283 53.352 52.037 0.054 0.000 0.656 16 A CB -0.468 18.558 19.000 0.042 0.000 0.821 16 A HN 0.169 nan 8.150 nan 0.000 0.449 17 D N 0.074 120.505 120.400 0.051 0.000 2.219 17 D HA -0.011 4.629 4.640 0.000 0.000 0.205 17 D C 0.826 177.153 176.300 0.046 0.000 0.970 17 D CA 0.481 54.516 54.000 0.060 0.000 0.851 17 D CB -0.395 40.443 40.800 0.063 0.000 0.943 17 D HN 0.206 nan 8.370 nan 0.000 0.488 18 V N 1.252 121.172 119.914 0.010 0.000 2.963 18 V HA 0.026 4.146 4.120 0.000 0.000 0.306 18 V C 0.708 176.775 176.094 -0.045 0.000 1.077 18 V CA -0.314 61.967 62.300 -0.032 0.000 1.124 18 V CB 1.663 33.425 31.823 -0.101 0.000 0.987 18 V HN -0.173 nan 8.190 nan 0.000 0.487 19 V N 2.754 122.639 119.914 -0.048 0.000 2.532 19 V HA 0.624 4.744 4.120 0.000 0.000 0.295 19 V C 1.432 177.482 176.094 -0.074 0.000 1.041 19 V CA 0.406 62.676 62.300 -0.050 0.000 0.926 19 V CB 0.634 32.439 31.823 -0.029 0.000 0.992 19 V HN 1.152 nan 8.190 nan 0.000 0.457 20 G N 2.975 111.728 108.800 -0.079 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 -0.105 0.000 0.990 20 G CA 1.073 46.119 45.100 -0.089 0.000 0.653 20 G HN 0.777 nan 8.290 nan 0.000 0.576 21 Q N 0.723 120.454 119.800 -0.116 0.000 3.170 21 Q HA 0.303 4.643 4.340 0.000 0.000 0.346 21 Q C 1.480 177.374 176.000 -0.177 0.000 1.333 21 Q CA 0.018 55.749 55.803 -0.119 0.000 0.958 21 Q CB 0.037 28.708 28.738 -0.112 0.000 1.600 21 Q HN 0.732 nan 8.270 nan 0.000 0.482 22 E N 0.361 120.429 120.200 -0.221 0.000 2.068 22 E HA -0.260 4.091 4.350 0.000 0.000 0.207 22 E C 1.229 177.650 176.600 -0.298 0.000 1.032 22 E CA 1.311 57.523 56.400 -0.313 0.000 0.839 22 E CB -0.075 29.339 29.700 -0.476 0.000 0.758 22 E HN 0.601 nan 8.360 nan 0.000 0.457 23 H N -0.450 118.575 119.070 -0.075 0.000 2.518 23 H HA -0.036 4.521 4.556 0.000 0.000 0.289 23 H C 1.956 177.224 175.328 -0.100 0.000 1.051 23 H CA 0.819 56.835 56.048 -0.053 0.000 1.280 23 H CB 0.086 29.847 29.762 -0.001 0.000 1.380 23 H HN 0.058 nan 8.280 nan 0.000 0.566 24 V N 0.384 120.230 119.914 -0.113 0.000 3.307 24 V HA -0.047 4.073 4.120 0.000 0.000 0.253 24 V C 2.420 178.228 176.094 -0.477 0.000 1.149 24 V CA 0.410 62.497 62.300 -0.356 0.000 1.112 24 V CB 0.072 31.702 31.823 -0.321 0.000 0.777 24 V HN 0.221 nan 8.190 nan 0.000 0.464 25 L N -0.394 120.592 121.223 -0.396 0.000 2.127 25 L HA -0.063 4.278 4.340 0.000 0.000 0.203 25 L C 2.610 179.298 176.870 -0.303 0.000 1.080 25 L CA 1.535 56.062 54.840 -0.523 0.000 0.768 25 L CB -0.965 40.815 42.059 -0.465 0.000 0.924 25 L HN 0.291 nan 8.230 nan 0.000 0.444 26 T N 0.423 114.877 114.554 -0.166 0.000 2.684 26 T HA -0.214 4.136 4.350 0.000 0.000 0.267 26 T C 2.060 176.753 174.700 -0.012 0.000 1.036 26 T CA 1.456 63.528 62.100 -0.046 0.000 1.148 26 T CB -0.310 68.569 68.868 0.017 0.000 0.863 26 T HN 0.425 nan 8.240 nan 0.000 0.436 27 A N 1.387 124.184 122.820 -0.039 0.000 1.892 27 A HA -0.049 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 1.422 53.476 52.037 0.028 0.000 0.631 27 A CB -0.940 18.074 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 0.617 55.459 54.840 0.004 0.000 0.799 28 L CB -0.503 41.509 42.059 -0.080 0.000 0.925 28 L HN 0.477 nan 8.230 nan 0.000 0.446 29 A N 0.374 123.281 122.820 0.144 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 1.766 53.907 52.037 0.173 0.000 0.613 29 A CB -0.526 18.551 19.000 0.129 0.000 0.829 29 A HN 0.352 nan 8.150 nan 0.000 0.442 30 N N 0.184 118.943 118.700 0.098 0.000 2.007 30 N HA -0.142 4.598 4.740 0.000 0.000 0.197 30 N C 1.852 177.426 175.510 0.106 0.000 1.050 30 N CA 1.929 55.036 53.050 0.095 0.000 0.856 30 N CB -0.968 37.580 38.487 0.102 0.000 1.050 30 N HN 0.420 nan 8.380 nan 0.000 0.423 31 G N 0.484 109.366 108.800 0.136 0.000 2.450 31 G HA2 -0.174 3.786 3.960 0.000 0.000 0.220 31 G HA3 -0.174 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 0.435 45.629 45.100 0.156 0.000 0.760 31 G HN 0.302 nan 8.290 nan 0.000 0.557 32 L N 0.615 121.894 121.223 0.093 0.000 2.478 32 L HA 0.070 4.410 4.340 0.000 0.000 0.223 32 L C 2.652 179.547 176.870 0.041 0.000 1.140 32 L CA 0.393 55.262 54.840 0.048 0.000 0.842 32 L CB 0.153 42.216 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 1.683 176.314 174.600 0.052 0.000 1.054 33 S CA 0.267 58.494 58.200 0.045 0.000 0.947 33 S CB 0.059 63.286 63.200 0.046 0.000 0.850 33 S HN 0.246 nan 8.310 nan 0.000 0.527 34 L N 1.404 122.665 121.223 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 0.528 55.406 54.840 0.064 0.000 0.858 34 L CB -1.003 41.099 42.059 0.071 0.000 0.969 34 L HN 0.562 nan 8.230 nan 0.000 0.451 35 G N 1.321 110.167 108.800 0.077 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 0.331 175.282 174.900 0.084 0.000 1.024 35 G CA -0.106 45.045 45.100 0.085 0.000 0.755 35 G HN 0.446 nan 8.290 nan 0.000 0.507 36 R N -0.030 120.530 120.500 0.101 0.000 3.657 36 R HA 0.391 4.731 4.340 0.000 0.000 0.220 36 R C 0.485 176.884 176.300 0.165 0.000 1.548 36 R CA -0.386 55.779 56.100 0.108 0.000 1.465 36 R CB 0.352 30.740 30.300 0.147 0.000 1.330 36 R HN 0.512 nan 8.270 nan 0.000 0.707 37 I N 2.318 122.930 120.570 0.070 0.000 2.325 37 I HA 0.113 4.283 4.170 0.000 0.000 0.291 37 I C 0.119 176.150 176.117 -0.143 0.000 1.019 37 I CA -0.459 60.880 61.300 0.066 0.000 1.302 37 I CB 0.377 38.348 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 0.457 175.498 175.328 -0.478 0.000 1.109 38 H CA -0.436 55.335 56.048 -0.463 0.000 1.352 38 H CB 1.144 30.530 29.762 -0.627 0.000 1.461 38 H HN 0.665 nan 8.280 nan 0.000 0.533 39 H N 0.912 119.936 119.070 -0.077 0.000 2.521 39 H HA 0.088 4.644 4.556 0.000 0.000 0.286 39 H C 0.270 175.636 175.328 0.063 0.000 1.034 39 H CA 0.704 56.756 56.048 0.007 0.000 1.278 39 H CB 0.461 30.236 29.762 0.022 0.000 1.386 39 H HN 0.500 nan 8.280 nan 0.000 0.567 40 A N 0.395 123.218 122.820 0.006 0.000 2.429 40 A HA 0.488 4.808 4.320 0.000 0.000 0.289 40 A C -1.746 175.700 177.584 -0.230 0.000 1.043 40 A CA -0.556 51.486 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 1.790 122.072 120.300 -0.029 0.000 2.328 41 Y HA 0.524 5.074 4.550 0.000 0.000 0.333 41 Y C -0.202 175.447 175.900 -0.418 0.000 0.958 41 Y CA -0.568 57.383 58.100 -0.247 0.000 1.167 41 Y CB 2.031 40.347 38.460 -0.240 0.000 1.151 41 Y HN 0.677 nan 8.280 nan 0.000 0.470 42 L N 5.114 126.163 121.223 -0.291 0.000 2.272 42 L HA 0.555 4.895 4.340 0.000 0.000 0.289 42 L C -1.704 174.976 176.870 -0.316 0.000 1.032 42 L CA -0.245 54.447 54.840 -0.248 0.000 0.810 42 L CB 0.051 42.022 42.059 -0.147 0.000 1.205 42 L HN 0.355 nan 8.230 nan 0.000 0.422 43 F N 3.877 123.893 119.950 0.110 0.000 2.375 43 F HA 0.522 5.049 4.527 0.000 0.000 0.361 43 F C 0.509 176.295 175.800 -0.024 0.000 1.117 43 F CA -0.520 57.526 58.000 0.076 0.000 1.037 43 F CB 1.423 40.463 39.000 0.067 0.000 1.192 43 F HN 0.532 nan 8.300 nan 0.000 0.452 44 S N 1.729 117.452 115.700 0.038 0.000 2.681 44 S HA 1.009 5.479 4.470 0.000 0.000 0.299 44 S C -0.097 174.307 174.600 -0.326 0.000 1.113 44 S CA -0.308 57.780 58.200 -0.187 0.000 1.013 44 S CB 2.006 65.005 63.200 -0.334 0.000 1.076 44 S HN 1.348 nan 8.310 nan 0.000 0.534 45 G N 0.459 109.090 108.800 -0.280 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 -0.133 0.000 1.002 45 G HN 0.994 nan 8.290 nan 0.000 0.649 46 T N 0.117 114.689 114.554 0.030 0.000 2.716 46 T HA 0.381 4.732 4.350 0.000 0.000 0.335 46 T C 1.145 175.859 174.700 0.024 0.000 1.081 46 T CA 0.735 62.854 62.100 0.031 0.000 1.073 46 T CB 0.283 69.175 68.868 0.039 0.000 0.993 46 T HN 1.069 nan 8.240 nan 0.000 0.547 47 R N -0.253 120.264 120.500 0.028 0.000 2.582 47 R HA 0.518 4.858 4.340 0.000 0.000 0.271 47 R C 1.203 177.514 176.300 0.019 0.000 1.078 47 R CA 0.369 56.485 56.100 0.027 0.000 1.127 47 R CB -0.031 30.290 30.300 0.034 0.000 1.038 47 R HN 0.884 nan 8.270 nan 0.000 0.500 48 G N 0.547 109.355 108.800 0.013 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 -0.183 174.715 174.900 -0.003 0.000 1.032 48 G CA -0.047 45.057 45.100 0.005 0.000 0.623 48 G HN 0.589 nan 8.290 nan 0.000 0.506 49 V N 1.867 121.779 119.914 -0.003 0.000 2.775 49 V HA 0.533 4.653 4.120 0.000 0.000 0.299 49 V C 1.727 177.800 176.094 -0.034 0.000 1.062 49 V CA 0.539 62.830 62.300 -0.015 0.000 1.063 49 V CB 1.529 33.349 31.823 -0.004 0.000 0.994 49 V HN 0.921 nan 8.190 nan 0.000 0.483 50 G N 2.792 111.556 108.800 -0.060 0.000 3.180 50 G HA2 -0.013 3.948 3.960 0.000 0.000 0.246 50 G HA3 -0.013 3.948 3.960 0.000 0.000 0.246 50 G C 0.927 175.742 174.900 -0.141 0.000 0.939 50 G CA -0.166 44.881 45.100 -0.088 0.000 1.920 50 G HN 0.857 nan 8.290 nan 0.000 0.612 51 K N -0.007 120.334 120.400 -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 -0.137 0.000 1.048 51 K CA 1.796 58.012 56.287 -0.118 0.000 0.932 51 K CB -0.275 32.233 32.500 0.012 0.000 0.715 51 K HN 0.472 nan 8.250 nan 0.000 0.437 52 T N -0.949 113.577 114.554 -0.045 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 -0.059 0.000 1.038 52 T CA 1.702 63.793 62.100 -0.014 0.000 1.144 52 T CB -0.389 68.492 68.868 0.022 0.000 0.866 52 T HN 0.104 nan 8.240 nan 0.000 0.434 53 S N 0.973 116.631 115.700 -0.070 0.000 2.365 53 S HA -0.059 4.411 4.470 0.000 0.000 0.225 53 S C 2.020 176.556 174.600 -0.107 0.000 1.039 53 S CA 1.564 59.723 58.200 -0.068 0.000 1.033 53 S CB -0.700 62.465 63.200 -0.058 0.000 0.887 53 S HN 0.619 nan 8.310 nan 0.000 0.447 54 I N 1.208 121.650 120.570 -0.215 0.000 2.676 54 I HA -0.050 4.120 4.170 0.000 0.000 0.259 54 I C 2.592 178.522 176.117 -0.311 0.000 1.194 54 I CA 0.775 61.893 61.300 -0.304 0.000 1.473 54 I CB -0.442 37.246 38.000 -0.519 0.000 1.096 54 I HN 0.365 nan 8.210 nan 0.000 0.443 55 A N 0.977 123.611 122.820 -0.310 0.000 1.969 55 A HA -0.147 4.173 4.320 0.000 0.000 0.218 55 A C 2.383 179.960 177.584 -0.011 0.000 1.169 55 A CA 1.123 53.084 52.037 -0.126 0.000 0.635 55 A CB -0.380 18.638 19.000 0.029 0.000 0.810 55 A HN 0.287 nan 8.150 nan 0.000 0.445 56 R N -0.426 120.060 120.500 -0.023 0.000 2.066 56 R HA 0.028 4.368 4.340 0.000 0.000 0.232 56 R C 1.760 178.047 176.300 -0.022 0.000 1.131 56 R CA 1.370 57.462 56.100 -0.014 0.000 0.955 56 R CB -0.467 29.822 30.300 -0.019 0.000 0.851 56 R HN 0.488 nan 8.270 nan 0.000 0.432 57 L N 0.984 122.221 121.223 0.023 0.000 2.549 57 L HA -0.129 4.211 4.340 0.000 0.000 0.229 57 L C 2.074 178.911 176.870 -0.056 0.000 1.158 57 L CA 0.250 55.110 54.840 0.032 0.000 0.842 57 L CB -0.269 41.951 42.059 0.269 0.000 0.952 57 L HN 0.213 nan 8.230 nan 0.000 0.452 58 L N 0.075 121.322 121.223 0.040 0.000 2.130 58 L HA 0.108 4.448 4.340 0.000 0.000 0.200 58 L C 2.577 179.399 176.870 -0.079 0.000 1.075 58 L CA 1.641 56.483 54.840 0.004 0.000 0.768 58 L CB -0.457 41.627 42.059 0.042 0.000 0.933 58 L HN 0.051 nan 8.230 nan 0.000 0.451 59 A N -0.881 121.911 122.820 -0.046 0.000 2.121 59 A HA -0.186 4.134 4.320 0.000 0.000 0.218 59 A C 2.311 179.823 177.584 -0.119 0.000 1.154 59 A CA 1.505 53.511 52.037 -0.053 0.000 0.679 59 A CB -0.590 18.402 19.000 -0.012 0.000 0.795 59 A HN 0.465 nan 8.150 nan 0.000 0.458 60 K N -0.961 119.350 120.400 -0.147 0.000 2.365 60 K HA 0.006 4.326 4.320 0.000 0.000 0.197 60 K C 1.494 177.976 176.600 -0.196 0.000 1.042 60 K CA 0.817 56.990 56.287 -0.190 0.000 0.987 60 K CB -0.107 32.287 32.500 -0.177 0.000 0.779 60 K HN 0.424 nan 8.250 nan 0.000 0.484 61 G N -0.359 108.319 108.800 -0.203 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 44.691 45.100 -0.191 0.000 0.782 61 G HN 0.064 nan 8.290 nan 0.000 0.541 62 L N 0.170 121.360 121.223 -0.054 0.000 2.145 62 L HA 0.132 4.472 4.340 0.000 0.000 0.201 62 L C 1.993 179.022 176.870 0.265 0.000 1.075 62 L CA 0.658 55.532 54.840 0.057 0.000 0.773 62 L CB 0.019 42.030 42.059 -0.079 0.000 0.936 62 L HN 0.080 nan 8.230 nan 0.000 0.451 63 N N -0.947 117.829 118.700 0.127 0.000 2.325 63 N HA -0.008 4.733 4.740 0.000 0.000 0.182 63 N C 0.514 176.023 175.510 -0.001 0.000 1.088 63 N CA 0.019 53.131 53.050 0.103 0.000 0.879 63 N CB -0.157 38.357 38.487 0.046 0.000 0.983 63 N HN 0.197 nan 8.380 nan 0.000 0.471 64 C N 2.296 121.565 119.300 -0.053 0.000 2.502 64 C HA -0.048 4.412 4.460 0.000 0.000 0.404 64 C C 1.877 176.851 174.990 -0.026 0.000 1.409 64 C CA 0.011 58.987 59.018 -0.070 0.000 1.648 64 C CB -0.252 27.436 27.740 -0.086 0.000 2.571 64 C HN 0.461 nan 8.230 nan 0.000 0.601 65 E N 1.720 121.904 120.200 -0.026 0.000 2.268 65 E HA -0.118 4.232 4.350 0.000 0.000 0.195 65 E C 1.824 178.417 176.600 -0.012 0.000 0.995 65 E CA 1.517 57.912 56.400 -0.009 0.000 0.836 65 E CB 0.033 29.729 29.700 -0.006 0.000 0.763 65 E HN 0.864 nan 8.360 nan 0.000 0.491 66 T N 0.262 114.802 114.554 -0.023 0.000 3.113 66 T HA 0.131 4.481 4.350 0.000 0.000 0.263 66 T C 0.567 175.259 174.700 -0.013 0.000 1.143 66 T CA 0.618 62.705 62.100 -0.022 0.000 1.090 66 T CB 0.103 68.950 68.868 -0.035 0.000 0.922 66 T HN 0.426 nan 8.240 nan 0.000 0.521 67 G N 0.980 109.777 108.800 -0.004 0.000 2.479 67 G HA2 -0.081 3.879 3.960 0.000 0.000 0.686 67 G HA3 -0.081 3.879 3.960 0.000 0.000 0.686 67 G C -0.774 174.138 174.900 0.021 0.000 1.295 67 G CA -1.185 43.923 45.100 0.013 0.000 0.922 67 G HN 0.318 nan 8.290 nan 0.000 0.582 68 I N 2.176 122.778 120.570 0.054 0.000 2.576 68 I HA 0.231 4.402 4.170 0.000 0.000 0.288 68 I C 0.752 176.873 176.117 0.006 0.000 1.126 68 I CA 0.525 61.864 61.300 0.065 0.000 1.362 68 I CB -0.265 37.811 38.000 0.126 0.000 1.419 68 I HN 0.532 nan 8.210 nan 0.000 0.533 69 T N 3.712 118.240 114.554 -0.045 0.000 2.907 69 T HA 0.513 4.863 4.350 0.000 0.000 0.292 69 T C 0.682 175.285 174.700 -0.162 0.000 1.043 69 T CA -0.670 61.381 62.100 -0.082 0.000 1.003 69 T CB 2.214 71.028 68.868 -0.090 0.000 1.084 69 T HN 0.550 nan 8.240 nan 0.000 0.483 70 A N 0.667 123.398 122.820 -0.149 0.000 2.220 70 A HA 0.342 4.662 4.320 0.000 0.000 0.211 70 A C 0.984 178.394 177.584 -0.290 0.000 1.176 70 A CA 0.160 52.060 52.037 -0.228 0.000 0.834 70 A CB 0.002 18.980 19.000 -0.037 0.000 0.868 70 A HN 0.716 nan 8.150 nan 0.000 0.488 71 T N 2.579 117.022 114.554 -0.186 0.000 3.331 71 T HA 0.424 4.774 4.350 0.000 0.000 0.381 71 T C -2.888 171.723 174.700 -0.147 0.000 1.656 71 T CA -1.040 60.971 62.100 -0.147 0.000 1.453 71 T CB 0.955 69.779 68.868 -0.074 0.000 1.066 71 T HN 0.088 nan 8.240 nan 0.000 0.655 72 P HA 0.238 nan 4.420 nan 0.000 0.272 72 P C 0.087 177.319 177.300 -0.114 0.000 1.223 72 P CA -0.680 62.325 63.100 -0.159 0.000 0.784 72 P CB 0.331 31.911 31.700 -0.200 0.000 0.923 73 C N 0.436 119.680 119.300 -0.093 0.000 2.325 73 C HA 0.615 5.075 4.460 0.000 0.000 0.347 73 C C 1.769 176.713 174.990 -0.077 0.000 1.263 73 C CA -0.084 58.890 59.018 -0.073 0.000 1.806 73 C CB -0.014 27.691 27.740 -0.058 0.000 2.405 73 C HN 0.764 nan 8.230 nan 0.000 0.537 74 G N 2.246 111.003 108.800 -0.071 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 0.961 175.823 174.900 -0.063 0.000 1.141 74 G CA 1.135 46.192 45.100 -0.072 0.000 0.788 74 G HN 1.361 nan 8.290 nan 0.000 0.531 75 V N -1.368 118.513 119.914 -0.055 0.000 3.085 75 V HA 0.129 4.250 4.120 0.000 0.000 0.245 75 V C 1.856 177.926 176.094 -0.040 0.000 1.114 75 V CA -0.188 62.085 62.300 -0.045 0.000 1.108 75 V CB -1.148 30.653 31.823 -0.037 0.000 0.798 75 V HN 0.405 nan 8.190 nan 0.000 0.471 76 C N 2.224 121.498 119.300 -0.044 0.000 2.611 76 C HA 0.099 4.559 4.460 0.000 0.000 0.416 76 C C 1.740 176.708 174.990 -0.036 0.000 1.366 76 C CA 0.285 59.281 59.018 -0.036 0.000 1.761 76 C CB -0.538 27.178 27.740 -0.040 0.000 2.619 76 C HN 0.639 nan 8.230 nan 0.000 0.606 77 D N 2.715 123.108 120.400 -0.012 0.000 2.244 77 D HA -0.182 4.459 4.640 0.000 0.000 0.197 77 D C 1.570 177.873 176.300 0.005 0.000 1.006 77 D CA 2.004 56.010 54.000 0.009 0.000 0.888 77 D CB -0.050 40.772 40.800 0.036 0.000 0.912 77 D HN 0.748 nan 8.370 nan 0.000 0.452 78 N N 0.159 118.838 118.700 -0.035 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 0.517 53.459 53.050 -0.179 0.000 0.852 78 N CB -0.764 37.603 38.487 -0.200 0.000 0.998 78 N HN 0.248 nan 8.380 nan 0.000 0.424 79 C N 1.052 120.247 119.300 -0.175 0.000 2.432 79 C HA -0.014 4.446 4.460 0.000 0.000 0.277 79 C C 2.698 177.615 174.990 -0.121 0.000 1.249 79 C CA 0.404 59.328 59.018 -0.158 0.000 1.725 79 C CB -0.822 26.848 27.740 -0.118 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 -0.081 0.000 2.073 80 R HA -0.128 4.213 4.340 0.000 0.000 0.234 80 R C 2.089 178.367 176.300 -0.037 0.000 1.134 80 R CA 1.470 57.539 56.100 -0.053 0.000 0.952 80 R CB -0.393 29.887 30.300 -0.033 0.000 0.850 80 R HN 0.655 nan 8.270 nan 0.000 0.433 81 E N 0.405 120.595 120.200 -0.016 0.000 2.204 81 E HA -0.163 4.188 4.350 0.000 0.000 0.195 81 E C 1.938 178.552 176.600 0.023 0.000 0.990 81 E CA 0.904 57.333 56.400 0.048 0.000 0.821 81 E CB -0.050 29.761 29.700 0.185 0.000 0.750 81 E HN 0.387 nan 8.360 nan 0.000 0.477 82 I N 0.690 121.200 120.570 -0.100 0.000 2.286 82 I HA -0.181 3.989 4.170 0.000 0.000 0.245 82 I C 2.311 178.396 176.117 -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 1.003 121.168 120.200 -0.059 0.000 2.478 83 E HA -0.149 4.201 4.350 0.000 0.000 0.198 83 E C 1.316 177.904 176.600 -0.020 0.000 1.046 83 E CA 0.831 57.207 56.400 -0.040 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 -1.529 118.266 119.800 -0.008 0.000 2.172 84 Q HA 0.265 4.605 4.340 0.000 0.000 0.217 84 Q C 0.979 176.991 176.000 0.020 0.000 0.832 84 Q CA 0.204 56.009 55.803 0.004 0.000 1.010 84 Q CB 1.055 29.796 28.738 0.005 0.000 1.133 84 Q HN 0.332 nan 8.270 nan 0.000 0.489 85 G N 2.256 111.071 108.800 0.025 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 0.063 0.000 1.073 85 G CA 0.137 45.261 45.100 0.039 0.000 0.643 85 G HN 0.318 nan 8.290 nan 0.000 0.525 86 R N 0.016 120.558 120.500 0.070 0.000 2.235 86 R HA 0.592 4.932 4.340 0.000 0.000 0.338 86 R C -1.201 175.209 176.300 0.182 0.000 1.087 86 R CA -0.355 55.799 56.100 0.089 0.000 0.948 86 R CB 0.355 30.689 30.300 0.057 0.000 1.099 86 R HN 0.185 nan 8.270 nan 0.000 0.483 87 F N 2.068 122.005 119.950 -0.021 0.000 2.591 87 F HA 0.168 4.695 4.527 0.000 0.000 0.309 87 F C 0.883 176.664 175.800 -0.033 0.000 1.098 87 F CA -1.125 56.861 58.000 -0.024 0.000 0.937 87 F CB 1.347 40.333 39.000 -0.022 0.000 1.250 87 F HN 0.110 nan 8.300 nan 0.000 0.447 88 V N 2.762 122.199 119.914 -0.795 0.000 2.250 88 V HA -0.302 3.818 4.120 0.000 0.000 0.250 88 V C 1.445 177.255 176.094 -0.474 0.000 1.060 88 V CA 2.623 64.567 62.300 -0.594 0.000 1.030 88 V CB -0.383 31.058 31.823 -0.636 0.000 0.643 88 V HN 0.742 nan 8.190 nan 0.000 0.445 89 D N -0.634 119.385 120.400 -0.636 0.000 2.305 89 D HA 0.077 4.717 4.640 0.000 0.000 0.206 89 D C 0.961 177.208 176.300 -0.088 0.000 0.974 89 D CA 0.097 53.956 54.000 -0.234 0.000 0.871 89 D CB 0.094 40.853 40.800 -0.068 0.000 0.947 89 D HN 0.328 nan 8.370 nan 0.000 0.516 90 L N 2.383 123.680 121.223 0.124 0.000 2.462 90 L HA 0.192 4.532 4.340 0.000 0.000 0.283 90 L C -0.326 176.529 176.870 -0.026 0.000 1.166 90 L CA 0.022 54.922 54.840 0.099 0.000 0.964 90 L CB -0.611 41.588 42.059 0.234 0.000 1.294 90 L HN -0.131 nan 8.230 nan 0.000 0.449 91 I N 4.667 125.127 120.570 -0.182 0.000 2.308 91 I HA 0.150 4.320 4.170 0.000 0.000 0.293 91 I C 0.163 176.282 176.117 0.004 0.000 1.078 91 I CA -0.172 61.044 61.300 -0.139 0.000 1.292 91 I CB 0.308 38.121 38.000 -0.310 0.000 1.423 91 I HN 0.529 nan 8.210 nan 0.000 0.493 92 E N 7.780 128.010 120.200 0.051 0.000 2.046 92 E HA 0.454 4.804 4.350 0.000 0.000 0.279 92 E C -0.670 175.993 176.600 0.105 0.000 0.989 92 E CA -0.297 56.157 56.400 0.090 0.000 0.798 92 E CB 1.347 31.092 29.700 0.074 0.000 1.086 92 E HN 0.511 nan 8.360 nan 0.000 0.399 93 I N 2.304 122.959 120.570 0.141 0.000 2.354 93 I HA 0.178 4.348 4.170 0.000 0.000 0.292 93 I C -0.233 175.957 176.117 0.121 0.000 0.989 93 I CA -0.796 60.586 61.300 0.136 0.000 1.188 93 I CB 1.379 39.483 38.000 0.174 0.000 1.342 93 I HN 0.358 nan 8.210 nan 0.000 0.457 94 D N 5.242 125.701 120.400 0.097 0.000 2.412 94 D HA 0.367 5.007 4.640 0.000 0.000 0.224 94 D C 0.668 177.016 176.300 0.080 0.000 1.093 94 D CA -0.339 53.713 54.000 0.087 0.000 0.850 94 D CB 1.921 42.763 40.800 0.071 0.000 1.046 94 D HN 0.634 nan 8.370 nan 0.000 0.507 95 A N 3.167 126.037 122.820 0.083 0.000 2.239 95 A HA 0.184 4.504 4.320 0.000 0.000 0.209 95 A C 1.636 179.244 177.584 0.040 0.000 1.171 95 A CA 1.058 53.137 52.037 0.069 0.000 0.768 95 A CB -0.058 18.988 19.000 0.076 0.000 0.790 95 A HN 0.534 nan 8.150 nan 0.000 0.478 96 A N -0.001 122.843 122.820 0.040 0.000 2.267 96 A HA 0.346 4.666 4.320 0.000 0.000 0.213 96 A C 1.314 178.915 177.584 0.028 0.000 1.192 96 A CA 0.611 52.662 52.037 0.023 0.000 0.851 96 A CB -0.394 18.623 19.000 0.028 0.000 0.881 96 A HN 0.653 nan 8.150 nan 0.000 0.494 97 S N -0.591 115.132 115.700 0.038 0.000 2.565 97 S HA 0.423 4.893 4.470 0.000 0.000 0.276 97 S C 0.548 175.169 174.600 0.034 0.000 1.326 97 S CA -0.570 57.651 58.200 0.036 0.000 1.045 97 S CB 1.153 64.378 63.200 0.041 0.000 0.918 97 S HN 0.422 nan 8.310 nan 0.000 0.505 98 R N 0.698 121.215 120.500 0.029 0.000 2.265 98 R HA 0.131 4.471 4.340 0.000 0.000 0.194 98 R C 0.140 176.456 176.300 0.027 0.000 0.931 98 R CA 0.367 56.483 56.100 0.027 0.000 1.032 98 R CB 0.162 30.475 30.300 0.022 0.000 0.980 98 R HN 0.640 nan 8.270 nan 0.000 0.497 99 T N 1.195 115.766 114.554 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 0.029 0.000 1.002 99 T CA -0.318 61.797 62.100 0.025 0.000 0.995 99 T CB 0.428 69.309 68.868 0.021 0.000 1.153 99 T HN -0.000 nan 8.240 nan 0.000 0.510 100 K N 0.638 121.060 120.400 0.035 0.000 2.380 100 K HA 0.238 4.558 4.320 0.000 0.000 0.267 100 K C 1.283 177.905 176.600 0.036 0.000 0.990 100 K CA -0.442 55.869 56.287 0.040 0.000 0.946 100 K CB 0.783 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 0.036 0.000 2.231 101 V HA -0.259 3.862 4.120 0.000 0.000 0.248 101 V C 0.417 176.530 176.094 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 0.031 0.000 0.638 101 V HN 0.762 nan 8.190 nan 0.000 0.444 102 E N -0.196 120.030 120.200 0.043 0.000 2.265 102 E HA 0.268 4.618 4.350 0.000 0.000 0.262 102 E C -1.413 175.223 176.600 0.058 0.000 0.889 102 E CA -0.648 55.779 56.400 0.046 0.000 0.789 102 E CB 1.376 31.106 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 0.054 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 0.379 54.418 54.000 0.066 0.000 0.882 103 D CB 0.754 41.590 40.800 0.060 0.000 1.201 103 D HN 0.371 nan 8.370 nan 0.000 0.443 104 T N 1.161 115.771 114.554 0.095 0.000 2.824 104 T HA -0.347 4.003 4.350 0.000 0.000 0.259 104 T C 1.767 176.521 174.700 0.090 0.000 1.024 104 T CA 2.017 64.179 62.100 0.104 0.000 1.164 104 T CB -0.157 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 0.515 121.064 120.500 0.082 0.000 2.120 105 R HA -0.120 4.221 4.340 0.000 0.000 0.234 105 R C 2.047 178.387 176.300 0.066 0.000 1.123 105 R CA 1.644 57.786 56.100 0.070 0.000 0.975 105 R CB -0.113 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 0.174 120.617 120.400 0.072 0.000 2.120 106 D HA -0.095 4.545 4.640 0.000 0.000 0.202 106 D C 1.892 178.255 176.300 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 0.456 121.755 121.223 0.127 0.000 2.201 107 L HA -0.047 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 -0.132 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 -0.653 120.640 121.223 0.118 0.000 2.418 108 L HA -0.115 4.226 4.340 0.000 0.000 0.218 108 L C 1.934 178.829 176.870 0.041 0.000 1.125 108 L CA 0.475 55.336 54.840 0.036 0.000 0.835 108 L CB -0.319 41.743 42.059 0.006 0.000 0.953 108 L HN 0.234 nan 8.230 nan 0.000 0.454 109 D N 0.412 120.853 120.400 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 1.151 55.182 54.000 0.052 0.000 0.834 109 D CB 0.210 41.049 40.800 0.066 0.000 0.955 109 D HN 0.152 nan 8.370 nan 0.000 0.465 110 N N -0.103 118.685 118.700 0.146 0.000 2.270 110 N HA -0.110 4.630 4.740 0.000 0.000 0.181 110 N C 1.997 177.619 175.510 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 2.195 122.203 119.914 0.157 0.000 2.322 111 V HA -0.362 3.758 4.120 0.000 0.000 0.258 111 V C 2.303 178.480 176.094 0.138 0.000 1.102 111 V CA 2.017 64.384 62.300 0.111 0.000 1.106 111 V CB -0.679 31.119 31.823 -0.043 0.000 0.784 111 V HN 0.421 nan 8.190 nan 0.000 0.461 112 Q N -1.783 118.033 119.800 0.026 0.000 2.368 112 Q HA -0.109 4.231 4.340 0.000 0.000 0.210 112 Q C 0.783 176.873 176.000 0.149 0.000 0.982 112 Q CA 0.943 56.768 55.803 0.038 0.000 0.884 112 Q CB -0.289 28.374 28.738 -0.124 0.000 0.933 112 Q HN 0.730 nan 8.270 nan 0.000 0.460 113 Y N 0.129 120.547 120.300 0.197 0.000 2.357 113 Y HA 0.182 4.732 4.550 0.000 0.000 0.340 113 Y C 0.886 176.817 175.900 0.053 0.000 1.260 113 Y CA -0.690 57.472 58.100 0.104 0.000 1.425 113 Y CB 0.533 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 3.763 126.660 122.820 0.129 0.000 2.371 114 A HA 0.334 4.654 4.320 0.000 0.000 0.257 114 A C -2.394 175.180 177.584 -0.016 0.000 1.089 114 A CA -1.542 50.439 52.037 -0.094 0.000 0.794 114 A CB -0.355 18.572 19.000 -0.122 0.000 1.029 114 A HN 0.473 nan 8.150 nan 0.000 0.488 115 P HA 0.269 nan 4.420 nan 0.000 0.281 115 P C 0.485 177.749 177.300 -0.061 0.000 1.286 115 P CA 0.188 63.280 63.100 -0.014 0.000 0.772 115 P CB 1.338 33.058 31.700 0.033 0.000 0.862 116 A N 4.686 127.447 122.820 -0.099 0.000 1.972 116 A HA -0.150 4.170 4.320 0.000 0.000 0.219 116 A C 2.200 179.723 177.584 -0.102 0.000 1.169 116 A CA 1.263 53.232 52.037 -0.113 0.000 0.635 116 A CB -0.383 18.531 19.000 -0.143 0.000 0.810 116 A HN 0.507 nan 8.150 nan 0.000 0.446 117 R N -2.166 118.265 120.500 -0.116 0.000 2.493 117 R HA 0.165 4.506 4.340 0.000 0.000 0.177 117 R C 1.251 177.621 176.300 0.117 0.000 0.861 117 R CA 0.586 56.672 56.100 -0.023 0.000 1.083 117 R CB 0.169 30.427 30.300 -0.069 0.000 1.328 117 R HN 0.442 nan 8.270 nan 0.000 0.615 118 G N -0.007 108.935 108.800 0.236 0.000 2.580 118 G HA2 0.134 4.094 3.960 0.000 0.000 0.278 118 G HA3 0.134 4.094 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 0.178 nan 8.290 nan 0.000 0.513 119 R N -0.923 119.606 120.500 0.049 0.000 2.090 119 R HA 0.077 4.417 4.340 0.000 0.000 0.228 119 R C -0.068 176.004 176.300 -0.379 0.000 1.110 119 R CA 0.785 56.755 56.100 -0.217 0.000 0.973 119 R CB -0.036 30.067 30.300 -0.329 0.000 0.869 119 R HN 0.404 nan 8.270 nan 0.000 0.440 120 F N 0.110 120.133 119.950 0.121 0.000 2.538 120 F HA 0.360 4.887 4.527 0.000 0.000 0.325 120 F C 0.296 176.174 175.800 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 -0.371 nan 8.300 nan 0.000 0.473 121 K N 2.411 122.997 120.400 0.311 0.000 2.360 121 K HA 0.448 4.768 4.320 0.000 0.000 0.235 121 K C -1.243 175.400 176.600 0.073 0.000 1.077 121 K CA -0.255 56.126 56.287 0.158 0.000 1.035 121 K CB 0.294 32.919 32.500 0.209 0.000 1.623 121 K HN 0.491 nan 8.250 nan 0.000 0.462 122 V N 3.631 123.583 119.914 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 0.139 62.459 62.300 0.034 0.000 1.095 122 V CB 0.101 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 4.293 124.574 120.300 -0.031 0.000 2.805 123 Y HA 0.435 4.985 4.550 0.000 0.000 0.339 123 Y C -0.091 175.906 175.900 0.161 0.000 1.012 123 Y CA -0.786 57.333 58.100 0.032 0.000 1.262 123 Y CB 1.399 39.806 38.460 -0.088 0.000 1.100 123 Y HN 0.580 nan 8.280 nan 0.000 0.559 124 L N 5.229 126.589 121.223 0.227 0.000 2.385 124 L HA 0.430 4.770 4.340 0.000 0.000 0.281 124 L C -0.828 176.179 176.870 0.228 0.000 1.106 124 L CA 0.107 55.080 54.840 0.222 0.000 0.856 124 L CB -0.382 41.769 42.059 0.152 0.000 1.186 124 L HN 0.381 nan 8.230 nan 0.000 0.453 125 I N 4.669 125.386 120.570 0.245 0.000 2.410 125 I HA 0.294 4.465 4.170 0.000 0.000 0.286 125 I C -0.594 175.627 176.117 0.174 0.000 1.009 125 I CA -0.709 60.714 61.300 0.206 0.000 1.111 125 I CB 1.538 39.661 38.000 0.206 0.000 1.262 125 I HN 0.489 nan 8.210 nan 0.000 0.443 126 D N 7.290 127.779 120.400 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 0.149 0.000 1.154 126 D CA 0.301 54.384 54.000 0.139 0.000 0.857 126 D CB 0.751 41.619 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 0.183 0.000 2.613 127 E HA -0.151 4.199 4.350 0.000 0.000 0.161 127 E C 1.117 177.879 176.600 0.270 0.000 1.664 127 E CA 0.262 56.833 56.400 0.286 0.000 0.661 127 E CB -0.977 28.901 29.700 0.298 0.000 1.098 127 E HN 0.407 nan 8.360 nan 0.000 0.364 128 V N -0.515 119.562 119.914 0.271 0.000 3.041 128 V HA -0.179 3.941 4.120 0.000 0.000 0.260 128 V C 2.058 178.336 176.094 0.307 0.000 1.105 128 V CA 1.679 64.101 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 -0.570 118.594 119.070 0.156 0.000 2.563 129 H HA 0.182 4.738 4.556 0.000 0.000 0.272 129 H C 1.314 176.704 175.328 0.102 0.000 1.005 129 H CA 0.687 56.833 56.048 0.162 0.000 1.171 129 H CB -0.191 29.626 29.762 0.091 0.000 1.351 129 H HN 0.497 nan 8.280 nan 0.000 0.602 130 M N 0.742 120.204 119.600 -0.230 0.000 2.496 130 M HA 0.282 4.762 4.480 0.000 0.000 0.330 130 M C -0.459 175.826 176.300 -0.025 0.000 1.133 130 M CA -0.082 55.085 55.300 -0.222 0.000 0.964 130 M CB 0.737 33.152 32.600 -0.308 0.000 1.401 130 M HN 0.017 nan 8.290 nan 0.000 0.520 131 L N 0.804 122.087 121.223 0.101 0.000 2.397 131 L HA 0.272 4.612 4.340 0.000 0.000 0.271 131 L C 0.700 177.650 176.870 0.132 0.000 1.148 131 L CA -0.578 54.357 54.840 0.159 0.000 0.825 131 L CB 1.045 43.260 42.059 0.259 0.000 1.117 131 L HN 0.307 nan 8.230 nan 0.000 0.456 132 S N 2.276 118.048 115.700 0.120 0.000 2.552 132 S HA 0.052 4.522 4.470 0.000 0.000 0.289 132 S C 1.059 175.667 174.600 0.013 0.000 1.304 132 S CA -0.487 57.768 58.200 0.091 0.000 1.063 132 S CB 0.626 63.991 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 2.211 133 R HA -0.177 4.163 4.340 0.000 0.000 0.240 133 R C 1.574 177.757 176.300 -0.195 0.000 1.144 133 R CA 2.139 58.071 56.100 -0.280 0.000 0.992 133 R CB -0.681 29.382 30.300 -0.395 0.000 0.869 133 R HN 0.837 nan 8.270 nan 0.000 0.462 134 H N -0.448 118.660 119.070 0.063 0.000 2.307 134 H HA -0.010 4.546 4.556 0.000 0.000 0.303 134 H C 2.283 177.656 175.328 0.074 0.000 1.073 134 H CA 1.519 57.602 56.048 0.058 0.000 1.338 134 H CB -0.105 29.680 29.762 0.039 0.000 1.389 134 H HN 0.200 nan 8.280 nan 0.000 0.503 135 S N -0.105 115.725 115.700 0.216 0.000 2.562 135 S HA -0.067 4.403 4.470 0.000 0.000 0.221 135 S C 1.745 176.408 174.600 0.106 0.000 0.975 135 S CA 0.030 58.312 58.200 0.137 0.000 0.918 135 S CB -0.422 62.853 63.200 0.126 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 2.145 177.910 175.800 -0.058 0.000 1.091 136 F CA 1.086 59.058 58.000 -0.046 0.000 1.308 136 F CB -0.221 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 0.680 119.496 118.700 0.192 0.000 2.244 137 N HA -0.133 4.608 4.740 0.000 0.000 0.183 137 N C 1.963 177.468 175.510 -0.009 0.000 1.016 137 N CA 1.153 54.259 53.050 0.093 0.000 0.866 137 N CB -0.457 38.080 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 -0.007 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 -0.210 0.000 2.093 139 L HA -0.037 4.303 4.340 0.000 0.000 0.208 139 L C 2.298 178.951 176.870 -0.363 0.000 1.085 139 L CA 1.376 55.988 54.840 -0.379 0.000 0.755 139 L CB -0.427 41.305 42.059 -0.544 0.000 0.904 139 L HN 0.406 nan 8.230 nan 0.000 0.435 140 L N -0.582 120.470 121.223 -0.285 0.000 1.970 140 L HA -0.287 4.054 4.340 0.000 0.000 0.212 140 L C 2.571 179.358 176.870 -0.138 0.000 1.071 140 L CA 1.791 56.514 54.840 -0.194 0.000 0.751 140 L CB -0.606 41.401 42.059 -0.086 0.000 0.889 140 L HN 0.216 nan 8.230 nan 0.000 0.432 141 K N -0.831 119.511 120.400 -0.098 0.000 2.152 141 K HA -0.145 4.175 4.320 0.000 0.000 0.206 141 K C 1.889 178.444 176.600 -0.074 0.000 1.048 141 K CA 1.779 58.024 56.287 -0.069 0.000 0.933 141 K CB -0.278 32.195 32.500 -0.045 0.000 0.721 141 K HN 0.374 nan 8.250 nan 0.000 0.447 142 T N 1.225 115.723 114.554 -0.093 0.000 3.043 142 T HA 0.068 4.418 4.350 0.000 0.000 0.263 142 T C 1.764 176.435 174.700 -0.048 0.000 1.094 142 T CA 0.447 62.517 62.100 -0.050 0.000 1.127 142 T CB 0.100 68.969 68.868 0.001 0.000 0.905 142 T HN 0.092 nan 8.240 nan 0.000 0.490 143 L N 0.677 121.818 121.223 -0.136 0.000 2.131 143 L HA 0.035 4.375 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 1.046 55.806 54.840 -0.134 0.000 0.767 143 L CB -0.266 41.654 42.059 -0.231 0.000 0.917 143 L HN 0.203 nan 8.230 nan 0.000 0.441 144 E N 1.124 121.263 120.200 -0.101 0.000 2.085 144 E HA -0.182 4.169 4.350 0.000 0.000 0.194 144 E C 0.170 176.712 176.600 -0.097 0.000 0.994 144 E CA 1.280 57.628 56.400 -0.087 0.000 0.801 144 E CB 0.245 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 0.636 120.781 120.200 -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 54.636 56.400 -0.103 0.000 0.773 145 E CB 1.875 31.531 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 -2.549 174.687 177.300 -0.106 0.000 1.301 146 P CA -1.744 61.309 63.100 -0.079 0.000 0.862 146 P CB 1.250 32.943 31.700 -0.013 0.000 1.046 147 P HA 0.159 nan 4.420 nan 0.000 0.272 147 P C 0.544 177.786 177.300 -0.096 0.000 1.240 147 P CA -0.029 62.973 63.100 -0.163 0.000 0.791 147 P CB 1.155 32.607 31.700 -0.412 0.000 0.978 148 E N -0.154 120.072 120.200 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 1.405 57.909 56.400 0.173 0.000 0.824 148 E CB -0.634 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 -1.375 117.779 119.070 0.141 0.000 2.482 149 H HA 0.175 4.731 4.556 0.000 0.000 0.286 149 H C 0.538 176.011 175.328 0.242 0.000 1.017 149 H CA -0.041 56.081 56.048 0.123 0.000 1.322 149 H CB -0.068 29.722 29.762 0.047 0.000 1.426 149 H HN -0.135 nan 8.280 nan 0.000 0.546 150 V N 2.364 122.198 119.914 -0.135 0.000 2.546 150 V HA 0.249 4.369 4.120 0.000 0.000 0.284 150 V C -0.079 176.038 176.094 0.039 0.000 1.050 150 V CA -0.622 61.667 62.300 -0.019 0.000 0.981 150 V CB 1.354 33.079 31.823 -0.164 0.000 0.990 150 V HN 0.334 nan 8.190 nan 0.000 0.474 151 K N 3.590 123.989 120.400 -0.002 0.000 2.469 151 K HA 0.596 4.916 4.320 0.000 0.000 0.254 151 K C -1.403 175.133 176.600 -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 35.038 32.500 0.039 0.000 1.301 151 K HN 0.392 nan 8.250 nan 0.000 0.433 152 F N 1.152 121.204 119.950 0.170 0.000 2.492 152 F HA 0.508 5.036 4.527 0.000 0.000 0.327 152 F C 0.267 176.187 175.800 0.200 0.000 1.079 152 F CA -0.863 57.241 58.000 0.174 0.000 0.967 152 F CB 1.327 40.369 39.000 0.072 0.000 1.169 152 F HN 0.095 nan 8.300 nan 0.000 0.472 153 L N 5.002 126.481 121.223 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 0.656 42.935 42.059 0.366 0.000 1.214 153 L HN 0.439 nan 8.230 nan 0.000 0.472 154 L N 2.169 123.525 121.223 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 1.419 43.507 42.059 0.048 0.000 1.129 154 L HN 0.580 nan 8.230 nan 0.000 0.448 155 A N 2.170 125.099 122.820 0.180 0.000 2.423 155 A HA 0.957 5.277 4.320 0.000 0.000 0.304 155 A C -0.586 177.069 177.584 0.119 0.000 1.104 155 A CA -0.428 51.716 52.037 0.179 0.000 0.757 155 A CB 2.008 21.118 19.000 0.184 0.000 1.313 155 A HN 0.650 nan 8.150 nan 0.000 0.423 156 T N 0.040 114.633 114.554 0.064 0.000 2.893 156 T HA 0.364 4.714 4.350 0.000 0.000 0.337 156 T C 0.256 174.912 174.700 -0.073 0.000 1.587 156 T CA -0.077 62.011 62.100 -0.021 0.000 1.066 156 T CB 1.559 70.349 68.868 -0.131 0.000 1.414 156 T HN 0.514 nan 8.240 nan 0.000 0.488 157 T N 0.574 115.061 114.554 -0.112 0.000 3.037 157 T HA 0.185 4.535 4.350 0.000 0.000 0.252 157 T C -0.096 174.532 174.700 -0.120 0.000 1.073 157 T CA 0.448 62.512 62.100 -0.060 0.000 1.091 157 T CB 0.057 68.949 68.868 0.041 0.000 0.935 157 T HN 0.509 nan 8.240 nan 0.000 0.488 158 D N 0.513 120.730 120.400 -0.305 0.000 2.336 158 D HA 0.331 4.971 4.640 0.000 0.000 0.248 158 D C -2.241 173.892 176.300 -0.278 0.000 1.326 158 D CA -2.076 51.788 54.000 -0.226 0.000 0.973 158 D CB 1.846 42.563 40.800 -0.138 0.000 1.255 158 D HN -0.116 nan 8.370 nan 0.000 0.558 159 P HA -0.084 nan 4.420 nan 0.000 0.222 159 P C 1.103 178.378 177.300 -0.043 0.000 1.147 159 P CA 0.909 63.956 63.100 -0.089 0.000 0.790 159 P CB 0.384 32.063 31.700 -0.036 0.000 0.780 160 Q N -0.391 119.391 119.800 -0.030 0.000 2.230 160 Q HA -0.047 4.294 4.340 0.000 0.000 0.202 160 Q C 1.546 177.552 176.000 0.009 0.000 0.963 160 Q CA 0.874 56.675 55.803 -0.004 0.000 0.866 160 Q CB -0.224 28.517 28.738 0.005 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 4.424 4.320 0.000 0.000 0.192 161 K C -0.012 176.643 176.600 0.093 0.000 1.027 161 K CA 0.142 56.473 56.287 0.073 0.000 1.059 161 K CB 0.226 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 3.065 124.334 121.223 0.076 0.000 2.272 162 L HA 0.280 4.620 4.340 0.000 0.000 0.289 162 L C -2.081 174.842 176.870 0.088 0.000 1.032 162 L CA -2.298 52.619 54.840 0.128 0.000 0.810 162 L CB 1.249 43.373 42.059 0.108 0.000 1.205 162 L HN -0.071 nan 8.230 nan 0.000 0.422 163 P HA -0.024 nan 4.420 nan 0.000 0.266 163 P C 0.964 178.299 177.300 0.058 0.000 1.195 163 P CA -0.223 62.917 63.100 0.067 0.000 0.768 163 P CB 1.131 32.883 31.700 0.087 0.000 0.838 164 V N 2.378 122.306 119.914 0.025 0.000 2.660 164 V HA -0.253 3.867 4.120 0.000 0.000 0.257 164 V C 2.595 178.693 176.094 0.006 0.000 1.088 164 V CA 2.600 64.905 62.300 0.009 0.000 1.106 164 V CB -2.251 29.572 31.823 -0.001 0.000 0.686 164 V HN 0.715 nan 8.190 nan 0.000 0.481 165 T N -1.959 112.607 114.554 0.020 0.000 2.881 165 T HA -0.060 4.290 4.350 0.000 0.000 0.270 165 T C 1.738 176.434 174.700 -0.007 0.000 1.068 165 T CA 1.473 63.580 62.100 0.011 0.000 1.131 165 T CB -0.227 68.659 68.868 0.031 0.000 0.871 165 T HN 0.453 nan 8.240 nan 0.000 0.479 166 I N -0.009 120.565 120.570 0.007 0.000 2.556 166 I HA 0.124 4.295 4.170 0.000 0.000 0.251 166 I C 2.491 178.573 176.117 -0.057 0.000 1.105 166 I CA 0.334 61.606 61.300 -0.047 0.000 1.436 166 I CB -0.173 37.801 38.000 -0.043 0.000 1.139 166 I HN 0.167 nan 8.210 nan 0.000 0.438 167 L N 0.977 122.181 121.223 -0.031 0.000 2.021 167 L HA -0.273 4.067 4.340 0.000 0.000 0.215 167 L C 2.742 179.575 176.870 -0.063 0.000 1.074 167 L CA 2.166 56.978 54.840 -0.047 0.000 0.760 167 L CB -0.717 41.325 42.059 -0.029 0.000 0.889 167 L HN 0.387 nan 8.230 nan 0.000 0.433 168 S N -0.757 114.913 115.700 -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 -0.055 0.000 0.998 168 S CA 0.664 58.835 58.200 -0.049 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 -0.396 120.064 120.500 -0.066 0.000 2.317 169 R HA 0.308 4.648 4.340 0.000 0.000 0.208 169 R C -0.339 175.916 176.300 -0.076 0.000 0.914 169 R CA -0.038 56.021 56.100 -0.068 0.000 1.060 169 R CB 0.004 30.254 30.300 -0.084 0.000 1.015 169 R HN 0.388 nan 8.270 nan 0.000 0.498 170 C N 0.252 119.489 119.300 -0.106 0.000 2.667 170 C HA 0.387 4.847 4.460 0.000 0.000 0.323 170 C C -0.307 174.552 174.990 -0.218 0.000 1.214 170 C CA -1.146 57.781 59.018 -0.152 0.000 1.721 170 C CB 1.539 29.188 27.740 -0.152 0.000 2.275 170 C HN 0.215 nan 8.230 nan 0.000 0.491 171 L N 2.856 123.874 121.223 -0.343 0.000 2.302 171 L HA 0.299 4.639 4.340 0.000 0.000 0.285 171 L C 0.168 176.731 176.870 -0.511 0.000 1.090 171 L CA 0.669 55.215 54.840 -0.490 0.000 0.866 171 L CB -0.231 41.385 42.059 -0.738 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 -1.309 174.334 176.000 -0.595 0.000 0.980 172 Q CA 0.409 55.978 55.803 -0.389 0.000 0.882 172 Q CB 1.014 29.626 28.738 -0.210 0.000 1.249 172 Q HN 0.457 nan 8.270 nan 0.000 0.438 173 F N 0.643 120.581 119.950 -0.021 0.000 2.617 173 F HA 0.178 4.705 4.527 0.000 0.000 0.325 173 F C -0.414 175.466 175.800 0.134 0.000 1.179 173 F CA -0.712 57.347 58.000 0.098 0.000 0.965 173 F CB 1.441 40.566 39.000 0.209 0.000 1.232 173 F HN 0.522 nan 8.300 nan 0.000 0.461 174 H N 5.381 124.621 119.070 0.282 0.000 2.594 174 H HA 0.436 4.992 4.556 0.000 0.000 0.304 174 H C -0.766 174.655 175.328 0.155 0.000 1.068 174 H CA -0.234 55.919 56.048 0.175 0.000 1.308 174 H CB 0.958 30.779 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 0.191 0.000 2.282 175 L HA 0.234 4.574 4.340 0.000 0.000 0.287 175 L C 0.990 177.970 176.870 0.183 0.000 1.075 175 L CA -0.322 54.601 54.840 0.139 0.000 0.839 175 L CB 0.556 42.636 42.059 0.034 0.000 1.219 175 L HN 0.393 nan 8.230 nan 0.000 0.434 179 D N -0.113 120.279 120.400 -0.014 0.000 2.357 179 D HA 0.338 4.978 4.640 0.000 0.000 0.242 179 D C 0.734 177.028 176.300 -0.010 0.000 1.153 179 D CA -0.323 53.669 54.000 -0.012 0.000 0.918 179 D CB 1.640 42.430 40.800 -0.018 0.000 1.181 179 D HN 0.257 nan 8.370 nan 0.000 0.435 180 V N 1.844 121.754 119.914 -0.007 0.000 2.223 180 V HA -0.191 3.929 4.120 0.000 0.000 0.244 180 V C 1.882 177.976 176.094 -0.001 0.000 1.045 180 V CA 1.774 64.071 62.300 -0.004 0.000 1.000 180 V CB -0.790 31.032 31.823 -0.001 0.000 0.635 180 V HN 0.710 nan 8.190 nan 0.000 0.445 181 E N -0.578 119.624 120.200 0.003 0.000 2.461 181 E HA -0.144 4.206 4.350 0.000 0.000 0.196 181 E C 1.881 178.493 176.600 0.019 0.000 1.129 181 E CA 0.133 56.544 56.400 0.017 0.000 0.902 181 E CB 0.071 29.780 29.700 0.016 0.000 0.963 181 E HN 0.612 nan 8.360 nan 0.000 0.503 182 Q N -0.279 119.522 119.800 0.001 0.000 2.378 182 Q HA 0.089 4.429 4.340 0.000 0.000 0.229 182 Q C 1.765 177.772 176.000 0.011 0.000 0.882 182 Q CA 0.067 55.863 55.803 -0.011 0.000 0.936 182 Q CB 0.573 29.290 28.738 -0.034 0.000 1.092 182 Q HN 0.286 nan 8.270 nan 0.000 0.535 183 I N 0.217 120.788 120.570 0.002 0.000 2.731 183 I HA -0.100 4.070 4.170 0.000 0.000 0.260 183 I C 2.555 178.661 176.117 -0.017 0.000 1.138 183 I CA 0.206 61.497 61.300 -0.014 0.000 1.461 183 I CB -0.182 37.803 38.000 -0.025 0.000 1.128 183 I HN 0.147 nan 8.210 nan 0.000 0.438 184 R N 0.962 121.461 120.500 -0.002 0.000 2.082 184 R HA -0.268 4.073 4.340 0.000 0.000 0.234 184 R C 2.387 178.682 176.300 -0.007 0.000 1.136 184 R CA 1.945 58.036 56.100 -0.015 0.000 0.935 184 R CB -0.988 29.316 30.300 0.006 0.000 0.842 184 R HN 0.400 nan 8.270 nan 0.000 0.430 185 H N 0.178 119.218 119.070 -0.049 0.000 2.426 185 H HA -0.179 4.377 4.556 0.000 0.000 0.298 185 H C 1.956 177.260 175.328 -0.040 0.000 1.107 185 H CA 2.314 58.338 56.048 -0.039 0.000 1.298 185 H CB 0.269 30.007 29.762 -0.039 0.000 1.377 185 H HN 0.313 nan 8.280 nan 0.000 0.519 186 Q N 0.695 120.522 119.800 0.046 0.000 2.049 186 Q HA -0.039 4.301 4.340 0.000 0.000 0.198 186 Q C 2.725 178.673 176.000 -0.087 0.000 0.971 186 Q CA 1.224 57.027 55.803 -0.000 0.000 0.833 186 Q CB -0.404 28.328 28.738 -0.010 0.000 0.896 186 Q HN 0.493 nan 8.270 nan 0.000 0.434 187 L N 0.443 121.584 121.223 -0.138 0.000 2.079 187 L HA -0.181 4.159 4.340 0.000 0.000 0.210 187 L C 2.529 179.224 176.870 -0.292 0.000 1.081 187 L CA 1.794 56.496 54.840 -0.229 0.000 0.752 187 L CB -0.515 41.423 42.059 -0.202 0.000 0.896 187 L HN 0.460 nan 8.230 nan 0.000 0.433 188 E N -0.561 119.480 120.200 -0.265 0.000 2.047 188 E HA -0.280 4.071 4.350 0.000 0.000 0.191 188 E C 2.238 178.711 176.600 -0.210 0.000 0.987 188 E CA 1.063 57.269 56.400 -0.323 0.000 0.799 188 E CB -0.097 29.471 29.700 -0.221 0.000 0.752 188 E HN 0.495 nan 8.360 nan 0.000 0.449 189 H N 0.758 119.671 119.070 -0.262 0.000 2.290 189 H HA -0.133 4.423 4.556 0.000 0.000 0.298 189 H C 2.231 177.465 175.328 -0.155 0.000 1.087 189 H CA 1.970 57.908 56.048 -0.183 0.000 1.291 189 H CB -0.146 29.524 29.762 -0.154 0.000 1.369 189 H HN 0.239 nan 8.280 nan 0.000 0.492 190 I N 0.805 121.199 120.570 -0.293 0.000 2.208 190 I HA -0.308 3.863 4.170 0.000 0.000 0.245 190 I C 2.749 178.608 176.117 -0.430 0.000 1.097 190 I CA 0.914 61.843 61.300 -0.618 0.000 1.363 190 I CB -0.239 37.081 38.000 -1.132 0.000 1.051 190 I HN 0.251 nan 8.210 nan 0.000 0.413 191 L N 0.369 121.385 121.223 -0.346 0.000 2.141 191 L HA -0.191 4.149 4.340 0.000 0.000 0.209 191 L C 2.171 178.982 176.870 -0.099 0.000 1.094 191 L CA 1.018 55.736 54.840 -0.204 0.000 0.763 191 L CB -0.667 41.242 42.059 -0.249 0.000 0.908 191 L HN 0.334 nan 8.230 nan 0.000 0.437 192 N N 0.034 118.656 118.700 -0.131 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 1.040 54.017 53.050 -0.121 0.000 0.866 192 N CB 0.007 38.435 38.487 -0.099 0.000 0.980 192 N HN 0.412 nan 8.380 nan 0.000 0.430 193 E N 0.180 120.245 120.200 -0.225 0.000 2.435 193 E HA -0.013 4.338 4.350 0.000 0.000 0.195 193 E C 0.603 177.162 176.600 -0.069 0.000 1.029 193 E CA 0.355 56.647 56.400 -0.179 0.000 0.865 193 E CB 0.290 29.939 29.700 -0.085 0.000 0.833 193 E HN 0.259 nan 8.360 nan 0.000 0.510 194 E N -0.204 120.008 120.200 0.020 0.000 2.474 194 E HA -0.003 4.347 4.350 0.000 0.000 0.195 194 E C -0.397 176.291 176.600 0.148 0.000 1.039 194 E CA 0.066 56.548 56.400 0.137 0.000 0.881 194 E CB 0.284 30.107 29.700 0.204 0.000 0.970 194 E HN 0.248 nan 8.360 nan 0.000 0.486 195 H N -0.321 118.784 119.070 0.057 0.000 2.819 195 H HA -0.160 4.396 4.556 0.000 0.000 0.315 195 H C -0.333 175.021 175.328 0.043 0.000 1.242 195 H CA 0.666 56.739 56.048 0.041 0.000 1.157 195 H CB -2.048 27.733 29.762 0.031 0.000 1.451 195 H HN 0.178 nan 8.280 nan 0.000 0.430 196 I N 0.110 120.755 120.570 0.125 0.000 2.406 196 I HA 0.499 4.669 4.170 0.000 0.000 0.290 196 I C 1.042 177.235 176.117 0.125 0.000 0.999 196 I CA -0.579 60.783 61.300 0.104 0.000 1.124 196 I CB 1.848 39.891 38.000 0.071 0.000 1.289 196 I HN 0.292 nan 8.210 nan 0.000 0.441 197 A N 6.415 129.286 122.820 0.085 0.000 2.429 197 A HA 0.427 4.748 4.320 0.000 0.000 0.242 197 A C -0.166 177.489 177.584 0.119 0.000 1.088 197 A CA 0.401 52.464 52.037 0.044 0.000 0.784 197 A CB 0.131 19.135 19.000 0.007 0.000 1.038 197 A HN 0.981 nan 8.150 nan 0.000 0.501 198 H N -1.457 117.603 119.070 -0.016 0.000 2.984 198 H HA 0.433 4.989 4.556 0.000 0.000 0.298 198 H C -1.751 173.564 175.328 -0.021 0.000 1.378 198 H CA -0.722 55.312 56.048 -0.024 0.000 1.241 198 H CB 0.441 30.180 29.762 -0.037 0.000 1.894 198 H HN 0.602 nan 8.280 nan 0.000 0.511 199 E N 2.197 122.479 120.200 0.137 0.000 2.176 199 E HA 0.209 4.559 4.350 0.000 0.000 0.267 199 E C -1.802 174.887 176.600 0.148 0.000 0.893 199 E CA -2.260 54.182 56.400 0.071 0.000 0.761 199 E CB 2.516 32.235 29.700 0.031 0.000 1.133 199 E HN 0.376 nan 8.360 nan 0.000 0.409 200 P HA -0.211 nan 4.420 nan 0.000 0.218 200 P C 1.034 178.367 177.300 0.054 0.000 1.146 200 P CA 1.119 64.287 63.100 0.114 0.000 0.813 200 P CB 0.309 32.059 31.700 0.083 0.000 0.778 201 R N -0.577 119.947 120.500 0.039 0.000 2.275 201 R HA 0.149 4.489 4.340 0.000 0.000 0.199 201 R C 2.063 178.371 176.300 0.014 0.000 0.989 201 R CA 0.696 56.808 56.100 0.021 0.000 1.016 201 R CB -0.218 30.091 30.300 0.015 0.000 0.918 201 R HN 0.079 nan 8.270 nan 0.000 0.473 202 A N 0.530 123.362 122.820 0.021 0.000 1.903 202 A HA -0.018 4.302 4.320 0.000 0.000 0.213 202 A C 1.966 179.543 177.584 -0.011 0.000 1.185 202 A CA 0.545 52.587 52.037 0.008 0.000 0.628 202 A CB -0.203 18.811 19.000 0.022 0.000 0.830 202 A HN 0.238 nan 8.150 nan 0.000 0.446 203 L N -0.884 120.329 121.223 -0.016 0.000 2.093 203 L HA -0.203 4.137 4.340 0.000 0.000 0.208 203 L C 2.825 179.671 176.870 -0.040 0.000 1.085 203 L CA 1.626 56.431 54.840 -0.058 0.000 0.755 203 L CB -0.390 41.610 42.059 -0.099 0.000 0.904 203 L HN 0.472 nan 8.230 nan 0.000 0.435 204 Q N 0.588 120.378 119.800 -0.017 0.000 2.084 204 Q HA -0.194 4.147 4.340 0.000 0.000 0.202 204 Q C 2.169 178.162 176.000 -0.013 0.000 0.978 204 Q CA 1.741 57.538 55.803 -0.009 0.000 0.844 204 Q CB -0.299 28.441 28.738 0.003 0.000 0.898 204 Q HN 0.440 nan 8.270 nan 0.000 0.426 205 L N -0.461 120.754 121.223 -0.013 0.000 2.083 205 L HA -0.186 4.155 4.340 0.000 0.000 0.209 205 L C 2.293 179.149 176.870 -0.023 0.000 1.083 205 L CA 0.971 55.802 54.840 -0.015 0.000 0.752 205 L CB -0.381 41.669 42.059 -0.015 0.000 0.899 205 L HN 0.296 nan 8.230 nan 0.000 0.433 206 L N -0.758 120.445 121.223 -0.032 0.000 2.156 206 L HA -0.106 4.234 4.340 0.000 0.000 0.208 206 L C 2.731 179.577 176.870 -0.041 0.000 1.095 206 L CA 0.857 55.672 54.840 -0.042 0.000 0.770 206 L CB -0.463 41.560 42.059 -0.059 0.000 0.914 206 L HN 0.200 nan 8.230 nan 0.000 0.439 207 A N -0.240 122.557 122.820 -0.038 0.000 2.014 207 A HA -0.128 4.192 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 1.098 53.116 52.037 -0.033 0.000 0.652 207 A CB -0.269 18.715 19.000 -0.027 0.000 0.808 207 A HN 0.312 nan 8.150 nan 0.000 0.449 208 R N -0.840 119.649 120.500 -0.017 0.000 2.090 208 R HA 0.144 4.484 4.340 0.000 0.000 0.219 208 R C 2.545 178.837 176.300 -0.013 0.000 1.100 208 R CA 0.821 56.914 56.100 -0.012 0.000 0.991 208 R CB -0.417 29.878 30.300 -0.007 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 1.857 53.883 52.037 -0.018 0.000 0.648 209 A CB -0.790 18.196 19.000 -0.023 0.000 0.832 209 A HN 0.404 nan 8.150 nan 0.000 0.455 210 A N -0.377 122.432 122.820 -0.019 0.000 2.363 210 A HA 0.489 4.809 4.320 0.000 0.000 0.270 210 A C 0.050 177.627 177.584 -0.012 0.000 1.121 210 A CA -0.189 51.839 52.037 -0.016 0.000 0.800 210 A CB 0.135 19.121 19.000 -0.022 0.000 1.052 210 A HN 0.482 nan 8.150 nan 0.000 0.493 211 E N 1.996 122.193 120.200 -0.006 0.000 1.993 211 E HA 0.427 4.777 4.350 0.000 0.000 0.271 211 E C 0.959 177.559 176.600 -0.001 0.000 1.008 211 E CA 0.396 56.794 56.400 -0.002 0.000 0.814 211 E CB -0.048 29.653 29.700 0.002 0.000 1.098 211 E HN 1.269 nan 8.360 nan 0.000 0.407 212 G N 3.669 112.466 108.800 -0.004 0.000 2.203 212 G HA2 -0.306 3.654 3.960 0.000 0.000 0.263 212 G HA3 -0.306 3.654 3.960 0.000 0.000 0.263 212 G C 0.066 174.963 174.900 -0.006 0.000 1.012 212 G CA 0.725 45.823 45.100 -0.004 0.000 0.749 212 G HN 0.620 nan 8.290 nan 0.000 0.512 213 S N -0.978 114.716 115.700 -0.010 0.000 2.406 213 S HA 0.554 5.024 4.470 0.000 0.000 0.224 213 S C 1.049 175.637 174.600 -0.019 0.000 1.426 213 S CA -0.155 58.038 58.200 -0.012 0.000 1.179 213 S CB 1.588 64.784 63.200 -0.006 0.000 1.042 213 S HN 0.618 nan 8.310 nan 0.000 0.479 214 L N 3.173 124.382 121.223 -0.023 0.000 2.129 214 L HA -0.086 4.254 4.340 0.000 0.000 0.212 214 L C 2.457 179.311 176.870 -0.026 0.000 1.087 214 L CA 1.737 56.559 54.840 -0.030 0.000 0.757 214 L CB -0.543 41.499 42.059 -0.028 0.000 0.896 214 L HN 0.634 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 1.947 178.238 176.300 -0.014 0.000 1.132 215 R CA 1.816 57.911 56.100 -0.008 0.000 0.925 215 R CB -0.916 29.383 30.300 -0.003 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 1.844 178.127 176.300 -0.029 0.000 0.986 216 D CA 1.501 55.491 54.000 -0.016 0.000 0.847 216 D CB -0.227 40.566 40.800 -0.011 0.000 0.942 216 D HN 0.343 nan 8.370 nan 0.000 0.467 217 A N 0.963 123.760 122.820 -0.038 0.000 1.877 217 A HA -0.144 4.176 4.320 0.000 0.000 0.216 217 A C 2.439 179.978 177.584 -0.074 0.000 1.186 217 A CA 0.974 52.977 52.037 -0.056 0.000 0.620 217 A CB -0.774 18.187 19.000 -0.064 0.000 0.822 217 A HN 0.181 nan 8.150 nan 0.000 0.443 218 L N -0.739 120.437 121.223 -0.078 0.000 1.994 218 L HA -0.166 4.174 4.340 0.000 0.000 0.208 218 L C 2.878 179.713 176.870 -0.058 0.000 1.071 218 L CA 1.541 56.323 54.840 -0.096 0.000 0.745 218 L CB -0.730 41.283 42.059 -0.077 0.000 0.892 218 L HN 0.304 nan 8.230 nan 0.000 0.431 219 S N 0.137 115.819 115.700 -0.031 0.000 2.380 219 S HA -0.188 4.283 4.470 0.000 0.000 0.229 219 S C 1.984 176.570 174.600 -0.023 0.000 1.043 219 S CA 1.441 59.632 58.200 -0.016 0.000 1.038 219 S CB -0.398 62.797 63.200 -0.008 0.000 0.872 219 S HN 0.276 nan 8.310 nan 0.000 0.456 220 L N 0.588 121.792 121.223 -0.032 0.000 2.093 220 L HA -0.095 4.245 4.340 0.000 0.000 0.208 220 L C 2.496 179.340 176.870 -0.043 0.000 1.085 220 L CA 1.143 55.963 54.840 -0.034 0.000 0.755 220 L CB -0.882 41.155 42.059 -0.036 0.000 0.904 220 L HN 0.305 nan 8.230 nan 0.000 0.435 221 T N -1.298 113.219 114.554 -0.062 0.000 2.995 221 T HA -0.112 4.238 4.350 0.000 0.000 0.269 221 T C 1.318 175.986 174.700 -0.054 0.000 1.091 221 T CA 0.863 62.918 62.100 -0.076 0.000 1.128 221 T CB -0.114 68.677 68.868 -0.127 0.000 0.891 221 T HN 0.299 nan 8.240 nan 0.000 0.492 222 D N 1.207 121.585 120.400 -0.037 0.000 2.194 222 D HA -0.016 4.624 4.640 0.000 0.000 0.204 222 D C 2.279 178.575 176.300 -0.006 0.000 0.964 222 D CA 0.737 54.729 54.000 -0.013 0.000 0.846 222 D CB -0.071 40.731 40.800 0.003 0.000 0.962 222 D HN 0.432 nan 8.370 nan 0.000 0.490 223 Q N 0.574 120.368 119.800 -0.010 0.000 2.020 223 Q HA -0.076 4.264 4.340 0.000 0.000 0.202 223 Q C 2.271 178.266 176.000 -0.009 0.000 0.982 223 Q CA 1.278 57.077 55.803 -0.007 0.000 0.838 223 Q CB -0.117 28.615 28.738 -0.010 0.000 0.899 223 Q HN 0.174 nan 8.270 nan 0.000 0.423 224 A N 0.815 123.626 122.820 -0.016 0.000 1.948 224 A HA -0.209 4.112 4.320 0.000 0.000 0.220 224 A C 1.982 179.561 177.584 -0.008 0.000 1.177 224 A CA 1.297 53.325 52.037 -0.016 0.000 0.636 224 A CB -0.639 18.346 19.000 -0.025 0.000 0.815 224 A HN 0.321 nan 8.150 nan 0.000 0.449 225 I N -0.687 119.879 120.570 -0.007 0.000 2.193 225 I HA -0.206 3.964 4.170 0.000 0.000 0.240 225 I C 2.983 179.105 176.117 0.008 0.000 1.084 225 I CA 0.949 62.251 61.300 0.003 0.000 1.365 225 I CB -0.376 37.628 38.000 0.007 0.000 1.064 225 I HN 0.334 nan 8.210 nan 0.000 0.410 226 A N 0.520 123.345 122.820 0.009 0.000 1.940 226 A HA -0.243 4.077 4.320 0.000 0.000 0.219 226 A C 2.384 179.972 177.584 0.007 0.000 1.176 226 A CA 2.392 54.436 52.037 0.011 0.000 0.631 226 A CB -0.759 18.248 19.000 0.012 0.000 0.814 226 A HN 0.546 nan 8.150 nan 0.000 0.446 227 S N -1.850 113.851 115.700 0.002 0.000 2.548 227 S HA 0.290 4.761 4.470 0.000 0.000 0.215 227 S C 1.388 175.988 174.600 -0.000 0.000 0.976 227 S CA 0.721 58.921 58.200 -0.000 0.000 0.908 227 S CB 0.029 63.226 63.200 -0.004 0.000 0.781 227 S HN 0.662 nan 8.310 nan 0.000 0.519 228 G N 0.412 109.213 108.800 0.002 0.000 3.453 228 G HA2 0.253 4.214 3.960 0.000 0.000 0.263 228 G HA3 0.253 4.214 3.960 0.000 0.000 0.263 228 G C -0.265 174.639 174.900 0.006 0.000 1.060 228 G CA -0.235 44.867 45.100 0.003 0.000 0.793 228 G HN 0.358 nan 8.290 nan 0.000 0.532 229 D N 0.038 120.442 120.400 0.007 0.000 3.003 229 D HA -0.110 4.530 4.640 0.000 0.000 0.223 229 D C 1.606 177.913 176.300 0.012 0.000 1.204 229 D CA 1.790 55.795 54.000 0.009 0.000 0.828 229 D CB -1.199 39.605 40.800 0.006 0.000 0.918 229 D HN 0.939 nan 8.370 nan 0.000 0.401 230 G N 1.220 110.031 108.800 0.017 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 0.270 175.186 174.900 0.026 0.000 0.988 230 G CA 0.544 45.658 45.100 0.023 0.000 0.625 230 G HN 0.587 nan 8.290 nan 0.000 0.527 231 Q N -0.384 119.429 119.800 0.021 0.000 2.353 231 Q HA 0.583 4.923 4.340 0.000 0.000 0.268 231 Q C -0.396 175.619 176.000 0.025 0.000 1.045 231 Q CA -0.817 55.002 55.803 0.027 0.000 0.811 231 Q CB 2.928 31.677 28.738 0.019 0.000 1.305 231 Q HN 0.146 nan 8.270 nan 0.000 0.447 232 V N 2.664 122.602 119.914 0.040 0.000 2.162 232 V HA 0.117 4.237 4.120 0.000 0.000 0.255 232 V C 0.013 176.132 176.094 0.043 0.000 1.304 232 V CA -0.242 62.076 62.300 0.030 0.000 1.198 232 V CB -0.446 31.388 31.823 0.019 0.000 1.333 232 V HN 0.735 nan 8.190 nan 0.000 0.493 233 S N 1.492 117.206 115.700 0.023 0.000 2.578 233 S HA 0.295 4.765 4.470 0.000 0.000 0.283 233 S C 1.245 175.850 174.600 0.009 0.000 1.195 233 S CA -0.256 57.955 58.200 0.019 0.000 1.050 233 S CB 1.602 64.808 63.200 0.009 0.000 1.012 233 S HN 0.498 nan 8.310 nan 0.000 0.511 234 T N 1.986 116.545 114.554 0.009 0.000 2.737 234 T HA -0.183 4.167 4.350 0.000 0.000 0.269 234 T C 1.591 176.288 174.700 -0.005 0.000 1.040 234 T CA 1.768 63.869 62.100 0.002 0.000 1.142 234 T CB -0.429 68.440 68.868 0.003 0.000 0.861 234 T HN 0.738 nan 8.240 nan 0.000 0.456 235 Q N -0.046 119.751 119.800 -0.005 0.000 2.488 235 Q HA 0.205 4.545 4.340 0.000 0.000 0.211 235 Q C 2.317 178.310 176.000 -0.010 0.000 0.967 235 Q CA 0.754 56.552 55.803 -0.009 0.000 0.926 235 Q CB -0.060 28.674 28.738 -0.007 0.000 0.992 235 Q HN 0.601 nan 8.270 nan 0.000 0.506 236 A N -0.480 122.335 122.820 -0.008 0.000 1.993 236 A HA 0.057 4.377 4.320 0.000 0.000 0.207 236 A C 2.063 179.639 177.584 -0.014 0.000 1.224 236 A CA 0.122 52.153 52.037 -0.009 0.000 0.749 236 A CB 0.070 19.068 19.000 -0.004 0.000 0.884 236 A HN 0.132 nan 8.150 nan 0.000 0.467 237 V N 1.109 121.015 119.914 -0.013 0.000 2.255 237 V HA -0.196 3.924 4.120 0.000 0.000 0.243 237 V C 2.942 179.022 176.094 -0.023 0.000 1.038 237 V CA 2.352 64.641 62.300 -0.018 0.000 1.008 237 V CB -0.849 30.963 31.823 -0.017 0.000 0.645 237 V HN 0.758 nan 8.190 nan 0.000 0.449 238 S N 1.272 116.958 115.700 -0.022 0.000 2.441 238 S HA -0.239 4.232 4.470 0.000 0.000 0.242 238 S C 1.867 176.444 174.600 -0.038 0.000 1.018 238 S CA 1.671 59.854 58.200 -0.029 0.000 0.988 238 S CB -0.554 62.631 63.200 -0.025 0.000 0.778 238 S HN 0.613 nan 8.310 nan 0.000 0.498 239 A N 0.977 123.777 122.820 -0.034 0.000 1.984 239 A HA 0.389 4.709 4.320 0.000 0.000 0.214 239 A C 2.246 179.805 177.584 -0.042 0.000 1.173 239 A CA 0.716 52.729 52.037 -0.040 0.000 0.673 239 A CB -0.482 18.499 19.000 -0.032 0.000 0.830 239 A HN 0.509 nan 8.150 nan 0.000 0.453 240 M N -0.063 119.516 119.600 -0.033 0.000 2.067 240 M HA -0.022 4.458 4.480 0.000 0.000 0.260 240 M C 0.633 176.910 176.300 -0.038 0.000 1.069 240 M CA 1.081 56.362 55.300 -0.031 0.000 1.117 240 M CB -0.472 32.113 32.600 -0.025 0.000 1.334 240 M HN 0.319 nan 8.290 nan 0.000 0.407 244 L N 2.202 123.390 121.223 -0.059 0.000 2.514 244 L HA 0.177 4.517 4.340 0.000 0.000 0.280 244 L C 0.538 177.394 176.870 -0.024 0.000 1.223 244 L CA -0.200 54.614 54.840 -0.043 0.000 0.864 244 L CB 0.157 42.195 42.059 -0.035 0.000 1.118 244 L HN 0.632 nan 8.230 nan 0.000 0.494 245 D N 1.227 121.614 120.400 -0.021 0.000 2.414 245 D HA -0.028 4.613 4.640 0.000 0.000 0.242 245 D C 0.732 177.029 176.300 -0.005 0.000 1.129 245 D CA -0.072 53.921 54.000 -0.012 0.000 0.885 245 D CB 0.743 41.537 40.800 -0.010 0.000 1.198 245 D HN 0.394 nan 8.370 nan 0.000 0.437 246 D N 0.760 121.159 120.400 -0.000 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 0.719 54.722 54.000 0.005 0.000 0.938 246 D CB 0.242 41.047 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 1.782 178.084 176.300 0.002 0.000 0.973 247 D CA 0.605 54.605 54.000 0.001 0.000 0.890 247 D CB 0.270 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 0.275 120.075 119.800 -0.001 0.000 2.050 248 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 248 Q C 2.232 178.235 176.000 0.005 0.000 0.980 248 Q CA 1.684 57.487 55.803 -0.000 0.000 0.840 248 Q CB -0.194 28.538 28.738 -0.009 0.000 0.898 248 Q HN 0.289 nan 8.270 nan 0.000 0.424 249 A N 0.887 123.710 122.820 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 1.052 53.096 52.037 0.012 0.000 0.620 249 A CB -0.568 18.440 19.000 0.013 0.000 0.819 249 A HN 0.329 nan 8.150 nan 0.000 0.442 250 L N 0.685 121.913 121.223 0.008 0.000 2.131 250 L HA -0.118 4.222 4.340 0.000 0.000 0.210 250 L C 2.486 179.356 176.870 0.001 0.000 1.092 250 L CA 2.577 57.420 54.840 0.004 0.000 0.759 250 L CB -0.513 41.548 42.059 0.003 0.000 0.903 250 L HN 0.392 nan 8.230 nan 0.000 0.435 251 S N -0.905 114.797 115.700 0.004 0.000 2.387 251 S HA -0.121 4.349 4.470 0.000 0.000 0.226 251 S C 2.014 176.618 174.600 0.008 0.000 1.026 251 S CA 1.170 59.373 58.200 0.005 0.000 0.972 251 S CB -0.645 62.560 63.200 0.008 0.000 0.814 251 S HN 0.442 nan 8.310 nan 0.000 0.477 252 L N 1.397 122.628 121.223 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 0.008 0.000 1.073 252 L CA 1.147 56.002 54.840 0.024 0.000 0.748 252 L CB -0.673 41.408 42.059 0.038 0.000 0.891 252 L HN 0.222 nan 8.230 nan 0.000 0.431 253 V N -0.331 119.579 119.914 -0.007 0.000 2.392 253 V HA -0.295 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 1.915 64.186 62.300 -0.047 0.000 1.051 253 V CB -0.534 31.266 31.823 -0.039 0.000 0.658 253 V HN 0.482 nan 8.190 nan 0.000 0.455 254 E N 0.197 120.374 120.200 -0.039 0.000 2.072 254 E HA -0.086 4.264 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 1.086 57.467 56.400 -0.032 0.000 0.803 254 E CB -0.369 29.323 29.700 -0.014 0.000 0.755 254 E HN 0.586 nan 8.360 nan 0.000 0.453 255 A N 1.645 124.466 122.820 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 0.033 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 1.922 178.302 176.300 0.134 0.000 1.069 256 M CA 2.095 57.441 55.300 0.077 0.000 1.102 256 M CB -0.236 32.380 32.600 0.026 0.000 1.336 256 M HN 0.255 nan 8.290 nan 0.000 0.404 257 V N 0.181 120.084 119.914 -0.018 0.000 2.667 257 V HA -0.201 3.920 4.120 0.000 0.000 0.252 257 V C 1.618 177.883 176.094 0.285 0.000 1.065 257 V CA 1.684 64.022 62.300 0.064 0.000 1.083 257 V CB -0.772 30.958 31.823 -0.156 0.000 0.692 257 V HN 0.519 nan 8.190 nan 0.000 0.468 258 E N 0.260 120.530 120.200 0.117 0.000 2.435 258 E HA 0.315 4.665 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 0.497 nan 8.360 nan 0.000 0.510 259 A N 2.337 125.142 122.820 -0.026 0.000 2.872 259 A HA -0.195 4.125 4.320 0.000 0.000 0.273 259 A C -0.163 177.376 177.584 -0.074 0.000 1.442 259 A CA 0.756 52.708 52.037 -0.142 0.000 0.801 259 A CB -2.569 16.071 19.000 -0.601 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 39.379 38.487 -0.009 0.000 1.122 260 N HN 0.446 nan 8.380 nan 0.000 0.509 261 G N 1.922 110.724 108.800 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 45.707 45.100 0.016 0.000 0.775 261 G HN 0.712 nan 8.290 nan 0.000 0.543 262 E N 0.138 120.344 120.200 0.011 0.000 2.049 262 E HA -0.237 4.114 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 1.169 57.577 56.400 0.013 0.000 0.809 262 E CB -0.188 29.517 29.700 0.008 0.000 0.749 262 E HN 0.402 nan 8.360 nan 0.000 0.450 263 R N 0.013 120.523 120.500 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 1.670 57.783 56.100 0.021 0.000 0.960 263 R CB -0.206 30.104 30.300 0.016 0.000 0.858 263 R HN 0.132 nan 8.270 nan 0.000 0.439 264 V N 0.897 120.832 119.914 0.035 0.000 2.237 264 V HA -0.308 3.813 4.120 0.000 0.000 0.245 264 V C 2.446 178.572 176.094 0.054 0.000 1.046 264 V CA 1.766 64.094 62.300 0.047 0.000 1.007 264 V CB -0.396 31.459 31.823 0.053 0.000 0.638 264 V HN 0.344 nan 8.190 nan 0.000 0.445 265 M N 0.062 119.689 119.600 0.045 0.000 2.202 265 M HA -0.110 4.370 4.480 0.000 0.000 0.262 265 M C 2.308 178.639 176.300 0.052 0.000 1.063 265 M CA 1.992 57.319 55.300 0.045 0.000 1.097 265 M CB -1.791 30.826 32.600 0.028 0.000 1.382 265 M HN 0.416 nan 8.290 nan 0.000 0.413 266 A N 0.186 123.032 122.820 0.043 0.000 1.898 266 A HA -0.089 4.232 4.320 0.000 0.000 0.216 266 A C 2.341 179.956 177.584 0.052 0.000 1.181 266 A CA 1.201 53.264 52.037 0.042 0.000 0.620 266 A CB -0.827 18.191 19.000 0.030 0.000 0.819 266 A HN 0.475 nan 8.150 nan 0.000 0.442 267 L N -0.513 120.742 121.223 0.053 0.000 2.093 267 L HA -0.129 4.211 4.340 0.000 0.000 0.208 267 L C 2.374 179.295 176.870 0.085 0.000 1.085 267 L CA 0.964 55.837 54.840 0.056 0.000 0.755 267 L CB -0.481 41.606 42.059 0.048 0.000 0.904 267 L HN 0.375 nan 8.230 nan 0.000 0.435 268 I N -0.276 120.365 120.570 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 62.375 61.300 0.208 0.000 1.404 268 I CB -0.428 37.690 38.000 0.198 0.000 1.071 268 I HN 0.374 nan 8.210 nan 0.000 0.419 269 N N 1.381 120.171 118.700 0.149 0.000 2.109 269 N HA -0.238 4.502 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 1.581 54.710 53.050 0.132 0.000 0.846 269 N CB -0.081 38.454 38.487 0.079 0.000 1.010 269 N HN 0.364 nan 8.380 nan 0.000 0.425 270 E N -0.155 120.090 120.200 0.075 0.000 2.209 270 E HA -0.132 4.218 4.350 0.000 0.000 0.196 270 E C 1.586 178.206 176.600 0.034 0.000 0.993 270 E CA 1.078 57.505 56.400 0.046 0.000 0.819 270 E CB -0.063 29.657 29.700 0.033 0.000 0.745 270 E HN 0.436 nan 8.360 nan 0.000 0.477 271 A N 0.874 123.721 122.820 0.045 0.000 1.930 271 A HA 0.111 4.431 4.320 0.000 0.000 0.215 271 A C 2.366 179.913 177.584 -0.061 0.000 1.176 271 A CA 1.151 53.177 52.037 -0.018 0.000 0.632 271 A CB -0.521 18.466 19.000 -0.022 0.000 0.819 271 A HN 0.379 nan 8.150 nan 0.000 0.445 272 A N 0.157 123.020 122.820 0.071 0.000 1.978 272 A HA 0.129 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 1.970 54.083 52.037 0.128 0.000 0.636 272 A CB -0.913 18.331 19.000 0.407 0.000 0.810 272 A HN 1.039 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 2.023 179.603 177.584 -0.006 0.000 1.176 273 A CA 1.517 53.569 52.037 0.025 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 -0.663 119.816 120.500 -0.034 0.000 2.449 274 R HA 0.356 4.696 4.340 0.000 0.000 0.262 274 R C 0.732 176.981 176.300 -0.084 0.000 1.006 274 R CA 0.313 56.383 56.100 -0.051 0.000 1.104 274 R CB -0.941 29.329 30.300 -0.050 0.000 1.206 274 R HN 0.649 nan 8.270 nan 0.000 0.538 275 G N 2.514 111.258 108.800 -0.093 0.000 2.363 275 G HA2 -0.263 3.697 3.960 0.000 0.000 0.286 275 G HA3 -0.263 3.697 3.960 0.000 0.000 0.286 275 G C 0.111 174.874 174.900 -0.228 0.000 0.975 275 G CA 0.106 45.130 45.100 -0.127 0.000 1.309 275 G HN 0.417 nan 8.290 nan 0.000 0.491 276 I N -0.632 119.683 120.570 -0.424 0.000 3.378 276 I HA 0.339 4.509 4.170 0.000 0.000 0.284 276 I C 0.657 176.445 176.117 -0.547 0.000 1.157 276 I CA -0.338 60.641 61.300 -0.535 0.000 1.193 276 I CB 0.441 37.922 38.000 -0.865 0.000 1.461 276 I HN 0.065 nan 8.210 nan 0.000 0.674 277 E N 1.390 121.334 120.200 -0.426 0.000 2.183 277 E HA 0.100 4.450 4.350 0.000 0.000 0.250 277 E C -0.029 176.445 176.600 -0.211 0.000 0.901 277 E CA -0.312 55.942 56.400 -0.244 0.000 0.741 277 E CB 0.850 30.481 29.700 -0.116 0.000 1.182 277 E HN 0.513 nan 8.360 nan 0.000 0.425 278 W N 1.652 122.952 121.300 0.000 0.000 2.296 278 W HA -0.256 4.404 4.660 0.000 0.000 0.296 278 W C 2.081 178.600 176.519 0.000 0.000 1.220 278 W CA 1.276 58.622 57.345 0.002 0.000 1.223 278 W CB 0.014 29.476 29.460 0.002 0.000 1.139 278 W HN 0.567 nan 8.180 nan 0.000 0.534 279 E N 0.580 120.882 120.200 0.171 0.000 2.051 279 E HA -0.208 4.143 4.350 0.000 0.000 0.192 279 E C 2.289 178.925 176.600 0.061 0.000 0.991 279 E CA 1.888 58.349 56.400 0.101 0.000 0.799 279 E CB -0.488 29.249 29.700 0.062 0.000 0.748 279 E HN 0.112 nan 8.360 nan 0.000 0.449 280 A N 0.891 123.723 122.820 0.021 0.000 1.940 280 A HA -0.182 4.138 4.320 0.000 0.000 0.219 280 A C 2.280 179.866 177.584 0.004 0.000 1.176 280 A CA 1.454 53.489 52.037 -0.004 0.000 0.631 280 A CB -0.864 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 -0.897 120.332 121.223 0.010 0.000 2.191 281 L HA -0.126 4.214 4.340 0.000 0.000 0.212 281 L C 2.264 179.173 176.870 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 41.973 42.059 0.066 0.000 0.908 281 L HN 0.434 nan 8.230 nan 0.000 0.438 282 L N -2.076 119.191 121.223 0.072 0.000 2.102 282 L HA -0.132 4.208 4.340 0.000 0.000 0.202 282 L C 2.372 179.261 176.870 0.032 0.000 1.076 282 L CA 0.528 55.401 54.840 0.056 0.000 0.761 282 L CB -0.342 41.749 42.059 0.053 0.000 0.921 282 L HN 0.013 nan 8.230 nan 0.000 0.444 283 V N -0.183 119.747 119.914 0.027 0.000 2.233 283 V HA -0.278 3.842 4.120 0.000 0.000 0.247 283 V C 2.519 178.636 176.094 0.039 0.000 1.050 283 V CA 1.754 64.068 62.300 0.024 0.000 1.010 283 V CB -0.528 31.305 31.823 0.017 0.000 0.637 283 V HN 0.436 nan 8.190 nan 0.000 0.444 284 E N -0.557 119.663 120.200 0.034 0.000 2.160 284 E HA -0.202 4.148 4.350 0.000 0.000 0.195 284 E C 2.115 178.749 176.600 0.056 0.000 0.991 284 E CA 1.328 57.751 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 -0.119 119.516 119.600 0.057 0.000 2.200 285 M HA -0.075 4.405 4.480 0.000 0.000 0.265 285 M C 2.317 178.682 176.300 0.109 0.000 1.066 285 M CA 0.850 56.191 55.300 0.068 0.000 1.127 285 M CB -0.159 32.478 32.600 0.060 0.000 1.379 285 M HN 0.074 nan 8.290 nan 0.000 0.420 286 L N -0.596 120.694 121.223 0.111 0.000 1.976 286 L HA -0.130 4.210 4.340 0.000 0.000 0.209 286 L C 2.681 179.740 176.870 0.316 0.000 1.071 286 L CA 1.577 56.542 54.840 0.208 0.000 0.746 286 L CB -1.319 40.783 42.059 0.072 0.000 0.890 286 L HN 0.366 nan 8.230 nan 0.000 0.432 287 G N -0.184 108.736 108.800 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 0.671 45.887 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 0.135 0.000 2.046 288 L HA -0.006 4.334 4.340 0.000 0.000 0.208 288 L C 2.896 179.822 176.870 0.095 0.000 1.077 288 L CA 0.592 55.487 54.840 0.092 0.000 0.747 288 L CB -0.278 41.816 42.059 0.059 0.000 0.896 288 L HN 0.201 nan 8.230 nan 0.000 0.432 289 L N -1.158 120.151 121.223 0.143 0.000 2.141 289 L HA -0.248 4.092 4.340 0.000 0.000 0.209 289 L C 2.605 179.531 176.870 0.093 0.000 1.094 289 L CA 1.049 55.971 54.840 0.137 0.000 0.763 289 L CB -0.581 41.627 42.059 0.248 0.000 0.908 289 L HN 0.361 nan 8.230 nan 0.000 0.437 290 H N 0.273 119.349 119.070 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 -0.059 0.000 1.082 290 H CA 1.710 57.696 56.048 -0.103 0.000 1.308 290 H CB 0.059 29.780 29.762 -0.069 0.000 1.375 290 H HN 0.020 nan 8.280 nan 0.000 0.495 291 R N -0.162 120.272 120.500 -0.110 0.000 2.105 291 R HA -0.092 4.248 4.340 0.000 0.000 0.239 291 R C 2.446 178.658 176.300 -0.146 0.000 1.135 291 R CA 1.655 57.645 56.100 -0.182 0.000 0.967 291 R CB -0.232 30.043 30.300 -0.042 0.000 0.861 291 R HN 0.448 nan 8.270 nan 0.000 0.442 292 I N 0.109 120.630 120.570 -0.081 0.000 2.394 292 I HA -0.220 3.950 4.170 0.000 0.000 0.251 292 I C 2.502 178.571 176.117 -0.081 0.000 1.136 292 I CA 1.017 62.281 61.300 -0.060 0.000 1.425 292 I CB -0.345 37.639 38.000 -0.027 0.000 1.079 292 I HN 0.168 nan 8.210 nan 0.000 0.425 293 A N 0.885 123.636 122.820 -0.116 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 18.569 19.000 -0.138 0.000 0.819 293 A HN 0.231 nan 8.150 nan 0.000 0.442 294 M N -0.382 119.087 119.600 -0.219 0.000 2.086 294 M HA -0.106 4.375 4.480 0.000 0.000 0.261 294 M C 2.164 178.395 176.300 -0.114 0.000 1.067 294 M CA 1.307 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 0.596 120.449 119.914 -0.103 0.000 2.688 295 V HA -0.252 3.868 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 1.479 63.740 62.300 -0.065 0.000 1.103 295 V CB -0.933 30.858 31.823 -0.054 0.000 0.688 295 V HN 0.565 nan 8.190 nan 0.000 0.480 296 Q N -1.218 118.551 119.800 -0.052 0.000 2.432 296 Q HA 0.015 4.355 4.340 0.000 0.000 0.205 296 Q C 1.887 177.866 176.000 -0.034 0.000 0.945 296 Q CA 0.547 56.329 55.803 -0.035 0.000 0.924 296 Q CB 0.133 28.853 28.738 -0.030 0.000 1.016 296 Q HN 0.513 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 4.449 4.340 0.000 0.000 0.195 297 L C 0.414 177.266 176.870 -0.031 0.000 1.083 297 L CA 1.006 55.824 54.840 -0.037 0.000 0.798 297 L CB 0.474 42.506 42.059 -0.044 0.000 0.989 297 L HN -0.019 nan 8.230 nan 0.000 0.472 298 S N -0.141 115.537 115.700 -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 -0.030 0.000 1.121 298 S CB 0.948 64.131 63.200 -0.028 0.000 1.015 298 S HN 0.187 nan 8.310 nan 0.000 0.479 299 P HA -0.123 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 1.066 64.153 63.100 -0.022 0.000 0.769 299 P CB -0.057 31.634 31.700 -0.016 0.000 0.769 300 A N -0.354 122.454 122.820 -0.020 0.000 2.251 300 A HA 0.383 4.703 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 0.698 52.725 52.037 -0.016 0.000 0.823 300 A CB -0.785 18.207 19.000 -0.013 0.000 0.846 300 A HN 0.198 nan 8.150 nan 0.000 0.486 301 A N 0.294 123.097 122.820 -0.029 0.000 1.948 301 A HA -0.000 4.320 4.320 0.000 0.000 0.220 301 A C 1.122 178.689 177.584 -0.029 0.000 1.177 301 A CA 0.600 52.615 52.037 -0.036 0.000 0.636 301 A CB -0.684 18.278 19.000 -0.062 0.000 0.815 301 A HN 0.495 nan 8.150 nan 0.000 0.449 302 L N 0.137 121.345 121.223 -0.024 0.000 2.543 302 L HA 0.200 4.541 4.340 0.000 0.000 0.285 302 L C 1.309 178.176 176.870 -0.005 0.000 1.236 302 L CA -0.146 54.685 54.840 -0.015 0.000 0.871 302 L CB -0.066 41.986 42.059 -0.012 0.000 1.121 302 L HN 0.359 nan 8.230 nan 0.000 0.501 303 G N 1.399 110.200 108.800 0.002 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 0.719 175.624 174.900 0.008 0.000 1.213 303 G CA -0.424 44.681 45.100 0.008 0.000 0.926 303 G HN 0.789 nan 8.290 nan 0.000 0.523 304 N N -0.577 118.129 118.700 0.010 0.000 2.106 304 N HA -0.129 4.611 4.740 0.000 0.000 0.188 304 N C 1.356 176.872 175.510 0.010 0.000 1.029 304 N CA 1.180 54.236 53.050 0.010 0.000 0.848 304 N CB 0.033 38.527 38.487 0.013 0.000 1.007 304 N HN 0.501 nan 8.380 nan 0.000 0.423 305 D N 0.241 120.649 120.400 0.012 0.000 2.363 305 D HA 0.006 4.646 4.640 0.000 0.000 0.220 305 D C 1.708 178.014 176.300 0.009 0.000 0.994 305 D CA 0.111 54.118 54.000 0.011 0.000 0.890 305 D CB 0.036 40.845 40.800 0.014 0.000 0.906 305 D HN 0.196 nan 8.370 nan 0.000 0.530 306 M N -0.058 119.547 119.600 0.009 0.000 2.446 306 M HA -0.039 4.441 4.480 0.000 0.000 0.263 306 M C 2.097 178.399 176.300 0.004 0.000 1.066 306 M CA 0.366 55.670 55.300 0.007 0.000 1.087 306 M CB -0.845 31.758 32.600 0.006 0.000 1.406 306 M HN 0.025 nan 8.290 nan 0.000 0.459 307 A N 0.734 123.556 122.820 0.003 0.000 1.997 307 A HA -0.161 4.159 4.320 0.000 0.000 0.221 307 A C 2.452 180.037 177.584 0.001 0.000 1.172 307 A CA 2.175 54.213 52.037 0.002 0.000 0.645 307 A CB -0.768 18.233 19.000 0.002 0.000 0.813 307 A HN 0.511 nan 8.150 nan 0.000 0.454 308 A N 0.082 122.903 122.820 0.002 0.000 1.933 308 A HA -0.047 4.274 4.320 0.000 0.000 0.218 308 A C 2.033 179.618 177.584 0.001 0.000 1.175 308 A CA 1.560 53.598 52.037 0.001 0.000 0.628 308 A CB -0.530 18.470 19.000 0.001 0.000 0.814 308 A HN 1.199 nan 8.150 nan 0.000 0.444 309 I N -2.847 117.724 120.570 0.001 0.000 3.956 309 I HA 0.241 4.411 4.170 0.000 0.000 0.333 309 I C 1.476 177.593 176.117 -0.001 0.000 1.302 309 I CA 0.862 62.162 61.300 0.001 0.000 1.122 309 I CB -0.001 38.000 38.000 0.002 0.000 1.013 309 I HN 0.384 nan 8.210 nan 0.000 0.405 310 E N 1.442 121.642 120.200 -0.001 0.000 2.130 310 E HA -0.284 4.067 4.350 0.000 0.000 0.196 310 E C 2.067 178.664 176.600 -0.004 0.000 0.998 310 E CA 1.907 58.306 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 0.722 121.944 121.223 -0.003 0.000 2.056 311 L HA -0.084 4.256 4.340 0.000 0.000 0.207 311 L C 2.303 179.172 176.870 -0.003 0.000 1.078 311 L CA 1.646 56.485 54.840 -0.003 0.000 0.749 311 L CB -0.179 41.879 42.059 -0.002 0.000 0.901 311 L HN -0.014 nan 8.230 nan 0.000 0.433 312 R N -1.713 118.785 120.500 -0.003 0.000 2.073 312 R HA -0.047 4.293 4.340 0.000 0.000 0.229 312 R C 2.196 178.492 176.300 -0.006 0.000 1.120 312 R CA 1.466 57.563 56.100 -0.004 0.000 0.967 312 R CB -0.320 29.978 30.300 -0.003 0.000 0.862 312 R HN 0.262 nan 8.270 nan 0.000 0.436 313 M N 0.419 120.015 119.600 -0.006 0.000 2.108 313 M HA -0.188 4.292 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 -0.763 31.832 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 2.125 178.421 176.300 -0.007 0.000 1.111 314 R CA 1.264 57.358 56.100 -0.010 0.000 0.976 314 R CB -0.215 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 1.179 121.376 120.200 -0.005 0.000 2.028 315 E HA -0.133 4.217 4.350 0.000 0.000 0.191 315 E C 1.884 178.483 176.600 -0.002 0.000 0.988 315 E CA 1.164 57.562 56.400 -0.002 0.000 0.799 315 E CB -0.238 29.461 29.700 -0.001 0.000 0.755 315 E HN 0.176 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 -0.281 4.060 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 1.429 56.264 54.840 -0.008 0.000 0.755 316 L CB -0.903 41.144 42.059 -0.020 0.000 0.889 316 L HN 0.256 nan 8.230 nan 0.000 0.432 317 A N 1.196 124.010 122.820 -0.009 0.000 1.929 317 A HA -0.315 4.005 4.320 0.000 0.000 0.221 317 A C 2.283 179.865 177.584 -0.004 0.000 1.211 317 A CA 2.808 54.839 52.037 -0.010 0.000 0.657 317 A CB -0.712 18.277 19.000 -0.017 0.000 0.827 317 A HN 0.637 nan 8.150 nan 0.000 0.462 318 R N -0.883 119.616 120.500 -0.001 0.000 2.210 318 R HA 0.025 4.366 4.340 0.000 0.000 0.203 318 R C 1.747 178.053 176.300 0.009 0.000 1.010 318 R CA 1.679 57.781 56.100 0.002 0.000 1.008 318 R CB -0.979 29.321 30.300 0.001 0.000 0.923 318 R HN 0.490 nan 8.270 nan 0.000 0.469 319 T N -1.500 113.061 114.554 0.012 0.000 3.044 319 T HA 0.279 4.629 4.350 0.000 0.000 0.255 319 T C 0.860 175.578 174.700 0.031 0.000 1.073 319 T CA 0.009 62.121 62.100 0.020 0.000 1.125 319 T CB -0.044 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 2.865 123.454 120.570 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 1.523 39.551 38.000 0.048 0.000 1.368 320 I HN -0.121 nan 8.210 nan 0.000 0.466 321 P HA 0.017 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 -0.887 62.236 63.100 0.038 0.000 0.763 321 P CB 0.123 31.844 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 0.021 0.000 0.813 322 P CB -0.188 31.514 31.700 0.003 0.000 0.778 323 T N 0.260 114.823 114.554 0.015 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 -0.006 0.000 1.039 323 T CA 2.009 64.110 62.100 0.001 0.000 1.150 323 T CB -0.867 67.997 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 0.004 0.000 2.104 324 D HA -0.032 4.608 4.640 0.000 0.000 0.194 324 D C 2.008 178.370 176.300 0.102 0.000 0.994 324 D CA 0.796 54.779 54.000 -0.027 0.000 0.830 324 D CB -0.451 40.395 40.800 0.078 0.000 0.959 324 D HN 0.358 nan 8.370 nan 0.000 0.452 325 I N 0.638 121.333 120.570 0.207 0.000 2.454 325 I HA -0.240 3.930 4.170 0.000 0.000 0.254 325 I C 2.260 178.503 176.117 0.210 0.000 1.156 325 I CA 0.842 62.307 61.300 0.276 0.000 1.433 325 I CB -0.079 38.002 38.000 0.134 0.000 1.082 325 I HN 0.009 nan 8.210 nan 0.000 0.432 326 Q N 0.185 120.048 119.800 0.106 0.000 2.123 326 Q HA -0.158 4.182 4.340 0.000 0.000 0.199 326 Q C 2.210 178.270 176.000 0.100 0.000 0.966 326 Q CA 1.240 57.100 55.803 0.095 0.000 0.845 326 Q CB -0.352 28.410 28.738 0.039 0.000 0.907 326 Q HN 0.474 nan 8.270 nan 0.000 0.439 327 L N -0.578 120.637 121.223 -0.012 0.000 1.994 327 L HA -0.156 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 -0.272 0.000 0.892 327 L HN 0.031 nan 8.230 nan 0.000 0.431 328 Y N -1.160 119.165 120.300 0.042 0.000 2.165 328 Y HA -0.282 4.269 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 2.375 60.507 58.100 0.054 0.000 1.164 328 Y CB -1.246 37.246 38.460 0.054 0.000 0.978 328 Y HN 0.349 nan 8.280 nan 0.000 0.513 329 Y N 0.736 121.137 120.300 0.167 0.000 2.242 329 Y HA -0.272 4.279 4.550 0.000 0.000 0.291 329 Y C 2.592 178.528 175.900 0.059 0.000 1.137 329 Y CA 1.882 60.045 58.100 0.104 0.000 1.181 329 Y CB -0.379 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 2.040 177.995 176.000 -0.076 0.000 0.971 330 Q CA 2.268 58.063 55.803 -0.013 0.000 0.833 330 Q CB -0.162 28.588 28.738 0.020 0.000 0.896 330 Q HN 0.433 nan 8.270 nan 0.000 0.434 331 T N 1.592 116.118 114.554 -0.047 0.000 2.635 331 T HA -0.189 4.161 4.350 0.000 0.000 0.267 331 T C 1.740 176.419 174.700 -0.035 0.000 1.040 331 T CA 1.550 63.624 62.100 -0.044 0.000 1.156 331 T CB -0.328 68.541 68.868 0.002 0.000 0.863 331 T HN 0.260 nan 8.240 nan 0.000 0.430 332 L N -0.018 121.187 121.223 -0.031 0.000 2.201 332 L HA -0.002 4.339 4.340 0.000 0.000 0.212 332 L C 2.406 179.204 176.870 -0.119 0.000 1.105 332 L CA 0.589 55.400 54.840 -0.048 0.000 0.775 332 L CB -0.460 41.584 42.059 -0.025 0.000 0.913 332 L HN 0.206 nan 8.230 nan 0.000 0.440 333 L N -0.021 121.072 121.223 -0.217 0.000 2.049 333 L HA -0.117 4.224 4.340 0.000 0.000 0.203 333 L C 2.347 179.152 176.870 -0.108 0.000 1.074 333 L CA 1.450 56.154 54.840 -0.225 0.000 0.749 333 L CB -0.178 41.684 42.059 -0.328 0.000 0.907 333 L HN 0.008 nan 8.230 nan 0.000 0.439 334 I N -0.107 120.409 120.570 -0.091 0.000 2.236 334 I HA -0.315 3.855 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 -0.896 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 -0.073 108.711 108.800 -0.027 0.000 2.470 335 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 335 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 335 G C 1.759 176.667 174.900 0.013 0.000 1.121 335 G CA 0.447 45.547 45.100 0.000 0.000 0.766 335 G HN 0.322 nan 8.290 nan 0.000 0.553 336 R N 0.305 120.802 120.500 -0.005 0.000 2.127 336 R HA 0.104 4.445 4.340 0.000 0.000 0.217 336 R C 2.360 178.679 176.300 0.032 0.000 1.074 336 R CA 0.802 56.907 56.100 0.009 0.000 0.991 336 R CB -0.127 30.162 30.300 -0.017 0.000 0.895 336 R HN 0.242 nan 8.270 nan 0.000 0.450 337 K N 0.469 120.887 120.400 0.029 0.000 2.026 337 K HA -0.158 4.162 4.320 0.000 0.000 0.208 337 K C 1.897 178.582 176.600 0.142 0.000 1.048 337 K CA 1.905 58.231 56.287 0.066 0.000 0.929 337 K CB -0.045 32.475 32.500 0.033 0.000 0.713 337 K HN 0.336 nan 8.250 nan 0.000 0.439 338 E N 1.062 121.330 120.200 0.113 0.000 2.031 338 E HA -0.221 4.129 4.350 0.000 0.000 0.193 338 E C 2.007 178.720 176.600 0.188 0.000 0.994 338 E CA 0.830 57.330 56.400 0.166 0.000 0.800 338 E CB -0.322 29.425 29.700 0.079 0.000 0.752 338 E HN 0.069 nan 8.360 nan 0.000 0.447 339 L N 1.417 122.696 121.223 0.093 0.000 2.223 339 L HA -0.252 4.088 4.340 0.000 0.000 0.230 339 L C -0.907 175.966 176.870 0.004 0.000 1.110 339 L CA 2.424 57.294 54.840 0.049 0.000 0.834 339 L CB -1.224 40.860 42.059 0.041 0.000 0.915 339 L HN 0.118 nan 8.230 nan 0.000 0.450 340 P HA -0.073 nan 4.420 nan 0.000 0.231 340 P C 0.754 177.860 177.300 -0.323 0.000 1.168 340 P CA 1.241 64.194 63.100 -0.245 0.000 0.779 340 P CB -0.051 31.398 31.700 -0.418 0.000 0.844 341 Y N -0.699 119.600 120.300 -0.003 0.000 2.497 341 Y HA 0.358 4.908 4.550 0.000 0.000 0.265 341 Y C 1.499 177.393 175.900 -0.010 0.000 1.111 341 Y CA -0.461 57.636 58.100 -0.005 0.000 1.288 341 Y CB -0.702 37.755 38.460 -0.005 0.000 1.082 341 Y HN -0.182 nan 8.280 nan 0.000 0.536 342 A N 2.362 125.247 122.820 0.108 0.000 2.483 342 A HA 0.067 4.388 4.320 0.000 0.000 0.238 342 A C -0.955 176.638 177.584 0.016 0.000 1.070 342 A CA -0.902 51.164 52.037 0.048 0.000 0.770 342 A CB -0.190 18.818 19.000 0.013 0.000 1.008 342 A HN 0.168 nan 8.150 nan 0.000 0.497 343 P HA -0.096 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 1.887 64.982 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 -2.445 117.924 120.400 -0.051 0.000 2.937 344 D HA 0.160 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 53.214 54.000 -0.079 0.000 0.869 344 D CB 1.278 42.022 40.800 -0.092 0.000 1.675 344 D HN -0.386 nan 8.370 nan 0.000 0.538 345 R N 1.889 122.325 120.500 -0.107 0.000 2.096 345 R HA -0.171 4.169 4.340 0.000 0.000 0.240 345 R C 1.994 178.083 176.300 -0.351 0.000 1.139 345 R CA 1.463 57.495 56.100 -0.112 0.000 0.952 345 R CB -0.227 30.095 30.300 0.038 0.000 0.854 345 R HN 0.509 nan 8.270 nan 0.000 0.436 346 R N 0.499 120.564 120.500 -0.724 0.000 2.152 346 R HA -0.088 4.252 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 1.310 56.589 56.100 -1.369 0.000 0.981 346 R CB -0.080 29.432 30.300 -1.313 0.000 0.870 346 R HN 0.219 nan 8.270 nan 0.000 0.451 347 M N -0.589 118.776 119.600 -0.391 0.000 2.193 347 M HA -0.009 4.471 4.480 0.000 0.000 0.265 347 M C 2.034 178.242 176.300 -0.153 0.000 1.071 347 M CA 1.694 56.857 55.300 -0.228 0.000 1.140 347 M CB -0.178 32.333 32.600 -0.148 0.000 1.369 347 M HN 0.366 nan 8.290 nan 0.000 0.423 348 G N -0.166 108.559 108.800 -0.124 0.000 2.469 348 G HA2 -0.218 3.742 3.960 0.000 0.000 0.219 348 G HA3 -0.218 3.742 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 1.346 46.414 45.100 -0.053 0.000 0.763 348 G HN 0.410 nan 8.290 nan 0.000 0.561 349 V N 0.666 120.537 119.914 -0.073 0.000 2.515 349 V HA -0.142 3.978 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 2.080 64.375 62.300 -0.008 0.000 1.064 349 V CB -0.492 31.372 31.823 0.069 0.000 0.675 349 V HN 0.485 nan 8.190 nan 0.000 0.461 350 E N -0.320 119.830 120.200 -0.083 0.000 2.107 350 E HA -0.194 4.156 4.350 0.000 0.000 0.191 350 E C 2.091 178.687 176.600 -0.008 0.000 0.982 350 E CA 1.305 57.676 56.400 -0.048 0.000 0.809 350 E CB -0.196 29.449 29.700 -0.092 0.000 0.756 350 E HN 0.475 nan 8.360 nan 0.000 0.459 351 M N 0.698 120.289 119.600 -0.015 0.000 2.200 351 M HA -0.086 4.394 4.480 0.000 0.000 0.265 351 M C 2.094 178.418 176.300 0.040 0.000 1.066 351 M CA 1.536 56.843 55.300 0.012 0.000 1.127 351 M CB -0.169 32.433 32.600 0.003 0.000 1.379 351 M HN -0.097 nan 8.290 nan 0.000 0.420 352 T N 0.625 115.200 114.554 0.036 0.000 2.759 352 T HA -0.123 4.228 4.350 0.000 0.000 0.269 352 T C 1.744 176.491 174.700 0.078 0.000 1.042 352 T CA 1.572 63.703 62.100 0.051 0.000 1.140 352 T CB -0.347 68.546 68.868 0.042 0.000 0.864 352 T HN 0.355 nan 8.240 nan 0.000 0.455 353 L N 0.068 121.337 121.223 0.076 0.000 2.095 353 L HA 0.143 4.483 4.340 0.000 0.000 0.204 353 L C 2.294 179.229 176.870 0.108 0.000 1.080 353 L CA 0.756 55.656 54.840 0.099 0.000 0.759 353 L CB -0.337 41.774 42.059 0.086 0.000 0.914 353 L HN 0.211 nan 8.230 nan 0.000 0.439 354 L N -0.566 120.705 121.223 0.080 0.000 2.353 354 L HA -0.205 4.135 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 0.883 55.767 54.840 0.073 0.000 0.798 354 L CB -0.396 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 -0.204 120.384 120.500 0.146 0.000 2.057 355 R HA -0.038 4.302 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 1.082 57.335 56.100 0.256 0.000 0.968 355 R CB -0.207 30.230 30.300 0.228 0.000 0.863 355 R HN 0.288 nan 8.270 nan 0.000 0.433 356 A N 1.059 124.016 122.820 0.228 0.000 1.948 356 A HA -0.188 4.132 4.320 0.000 0.000 0.220 356 A C 1.925 179.679 177.584 0.283 0.000 1.177 356 A CA 1.249 53.432 52.037 0.243 0.000 0.636 356 A CB -0.433 18.732 19.000 0.274 0.000 0.815 356 A HN 0.193 nan 8.150 nan 0.000 0.449 357 L N -0.868 120.494 121.223 0.231 0.000 2.072 357 L HA -0.001 4.339 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 1.841 56.799 54.840 0.196 0.000 0.752 357 L CB -1.153 40.975 42.059 0.114 0.000 0.906 357 L HN 0.393 nan 8.230 nan 0.000 0.436 358 A N -2.066 120.792 122.820 0.062 0.000 2.014 358 A HA -0.092 4.229 4.320 0.000 0.000 0.218 358 A C 1.613 179.062 177.584 -0.226 0.000 1.163 358 A CA 0.955 52.916 52.037 -0.126 0.000 0.652 358 A CB -0.594 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 -0.900 119.081 119.950 0.052 0.000 2.684 359 F HA 0.220 4.748 4.527 0.000 0.000 0.298 359 F C 0.687 176.494 175.800 0.010 0.000 1.120 359 F CA -0.631 57.379 58.000 0.016 0.000 1.332 359 F CB -0.258 38.728 39.000 -0.022 0.000 0.986 359 F HN 0.309 nan 8.300 nan 0.000 0.524 360 H N 3.338 122.471 119.070 0.104 0.000 2.964 360 H HA 0.036 4.592 4.556 0.000 0.000 0.328 360 H C -1.342 174.011 175.328 0.042 0.000 1.030 360 H CA -1.157 54.934 56.048 0.073 0.000 1.445 360 H CB 1.076 30.906 29.762 0.113 0.000 1.449 360 H HN -0.070 nan 8.280 nan 0.000 0.581 361 P HA -0.139 nan 4.420 nan 0.000 0.217 361 P C 0.911 178.292 177.300 0.135 0.000 1.151 361 P CA 1.066 64.157 63.100 -0.016 0.000 0.828 361 P CB 0.512 32.124 31.700 -0.147 0.000 0.788 362 R N -1.113 119.583 120.500 0.326 0.000 2.223 362 R HA 0.355 4.695 4.340 0.000 0.000 0.198 362 R C 1.000 177.431 176.300 0.217 0.000 0.984 362 R CA 0.393 56.657 56.100 0.275 0.000 1.018 362 R CB -0.214 30.259 30.300 0.290 0.000 0.945 362 R HN 0.345 nan 8.270 nan 0.000 0.479 363 M N -0.071 119.689 119.600 0.267 0.000 2.389 363 M HA 0.333 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 -1.455 53.863 55.300 0.030 0.000 0.942 363 M CB 3.867 36.405 32.600 -0.102 0.000 1.783 363 M HN -0.183 nan 8.290 nan 0.000 0.501 364 P HA 0.563 nan 4.420 nan 0.000 0.300 364 P C -1.603 175.676 177.300 -0.035 0.000 1.233 364 P CA -0.819 62.287 63.100 0.010 0.000 1.182 364 P CB 1.583 33.300 31.700 0.028 0.000 1.704 365 L N 1.752 122.946 121.223 -0.048 0.000 2.513 365 L HA 0.248 4.588 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 -0.990 53.816 54.840 -0.056 0.000 0.895 365 L CB -0.545 41.476 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 -0.896 176.380 177.300 -0.039 0.000 1.272 366 P CA -0.568 62.508 63.100 -0.040 0.000 0.819 366 P CB 1.922 33.604 31.700 -0.030 0.000 1.122 367 E N -0.353 119.827 120.200 -0.033 0.000 2.401 367 E HA 0.404 4.754 4.350 0.000 0.000 0.280 367 E C -2.115 174.472 176.600 -0.022 0.000 1.039 367 E CA -0.984 55.399 56.400 -0.029 0.000 0.814 367 E CB 1.544 31.223 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