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 1t4c_1_A DATA FIRST_RESID 2 DATA SEQUENCE TKPLDGINVL DFTHVQAGPA CTQMMGFLGA NVIKIERRGS GDMTRGWLQD DATA SEQUENCE KPNVDSLYFT MFNCNKRSIE LDMKTPEGKE LLEQMIKKAD VMVENFGPGA DATA SEQUENCE LDRMGFTWEY IQELNPRVIL ASVKGYAEGH ANEHLKVYEN VAQCSGGAAA DATA SEQUENCE TTGFWDGPPT VSGAALGDSN SGMHLMIGIL AALEIRHKTG RGQKVAVAMQ DATA SEQUENCE DAVLNLVRIK LRDQQRLERT GILAEYPQAQ PNFAFDRDGN PLSFDNITSV DATA SEQUENCE PRGGNAGGGG QPGWMLKCKG WETDADSYVY FTIAANMWPQ ICDMIDKPEW DATA SEQUENCE KDDPAYNTFE GRVDKLMDIF SFIETKFADK DKFEVTEWAA QYGIPCGPVM DATA SEQUENCE SMKELAHDPS LQKVGTVVEV VDEIRGNHLT VGAPFKFSGF QPEITRAPLL DATA SEQUENCE GEHTDEVLKE LGLDDAKIKE LHAKQVV 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.526 174.700 -0.290 0.000 1.109 2 T CA 0.000 62.034 62.100 -0.109 0.000 1.349 2 T CB 0.000 68.822 68.868 -0.077 0.000 0.612 3 K N 1.242 121.368 120.400 -0.456 0.000 2.606 3 K HA 0.320 4.640 4.320 0.001 0.000 0.259 3 K C -2.711 173.541 176.600 -0.580 0.000 1.001 3 K CA -1.473 54.319 56.287 -0.824 0.000 0.881 3 K CB 2.872 35.058 32.500 -0.523 0.000 1.288 3 K HN -0.148 nan 8.250 nan 0.000 0.452 4 P HA -0.111 nan 4.420 nan 0.000 0.218 4 P C 0.482 177.640 177.300 -0.238 0.000 1.148 4 P CA 1.070 63.942 63.100 -0.381 0.000 0.822 4 P CB 0.320 31.790 31.700 -0.383 0.000 0.784 5 L N -1.748 119.337 121.223 -0.230 0.000 2.910 5 L HA 0.234 4.574 4.340 0.001 0.000 0.252 5 L C 0.025 176.827 176.870 -0.114 0.000 1.195 5 L CA -0.516 54.244 54.840 -0.134 0.000 1.003 5 L CB -0.321 41.679 42.059 -0.100 0.000 1.328 5 L HN -0.184 nan 8.230 nan 0.000 0.540 6 D N 1.671 121.986 120.400 -0.142 0.000 2.583 6 D HA 0.146 4.787 4.640 0.001 0.000 0.232 6 D C 1.380 177.636 176.300 -0.073 0.000 1.128 6 D CA 1.705 55.643 54.000 -0.105 0.000 0.859 6 D CB 1.101 41.834 40.800 -0.113 0.000 1.169 6 D HN 0.382 nan 8.370 nan 0.000 0.481 7 G N 2.370 111.136 108.800 -0.056 0.000 2.212 7 G HA2 -0.266 3.695 3.960 0.001 0.000 0.266 7 G HA3 -0.266 3.695 3.960 0.001 0.000 0.266 7 G C 0.439 175.315 174.900 -0.039 0.000 0.978 7 G CA -0.175 44.900 45.100 -0.043 0.000 0.632 7 G HN 0.493 nan 8.290 nan 0.000 0.537 8 I N 2.690 123.233 120.570 -0.045 0.000 2.436 8 I HA 0.220 4.390 4.170 0.001 0.000 0.289 8 I C 0.217 176.310 176.117 -0.040 0.000 1.083 8 I CA -1.150 60.126 61.300 -0.041 0.000 1.372 8 I CB -0.007 37.967 38.000 -0.044 0.000 1.408 8 I HN 0.413 nan 8.210 nan 0.000 0.516 9 N N 7.028 125.705 118.700 -0.037 0.000 2.421 9 N HA 0.402 5.143 4.740 0.001 0.000 0.285 9 N C -0.900 174.585 175.510 -0.041 0.000 1.027 9 N CA -0.551 52.474 53.050 -0.041 0.000 0.918 9 N CB 2.386 40.847 38.487 -0.042 0.000 1.152 9 N HN 0.188 nan 8.380 nan 0.000 0.485 10 V N 2.269 122.152 119.914 -0.052 0.000 2.378 10 V HA 0.281 4.402 4.120 0.001 0.000 0.288 10 V C 0.325 176.365 176.094 -0.090 0.000 1.016 10 V CA -0.834 61.434 62.300 -0.053 0.000 0.840 10 V CB 1.494 33.288 31.823 -0.048 0.000 0.994 10 V HN 0.597 nan 8.190 nan 0.000 0.431 11 L N 4.357 125.520 121.223 -0.100 0.000 2.342 11 L HA 0.379 4.720 4.340 0.001 0.000 0.285 11 L C -0.240 176.467 176.870 -0.272 0.000 1.095 11 L CA 0.010 54.719 54.840 -0.219 0.000 0.843 11 L CB 0.595 42.550 42.059 -0.173 0.000 1.201 11 L HN 0.669 nan 8.230 nan 0.000 0.445 12 D N 3.536 123.740 120.400 -0.326 0.000 2.392 12 D HA 0.152 4.792 4.640 0.001 0.000 0.228 12 D C 0.220 176.328 176.300 -0.320 0.000 1.074 12 D CA -0.242 53.631 54.000 -0.211 0.000 0.838 12 D CB 0.787 41.511 40.800 -0.127 0.000 1.067 12 D HN 0.256 nan 8.370 nan 0.000 0.511 13 F N 1.026 120.888 119.950 -0.147 0.000 2.765 13 F HA 0.077 4.605 4.527 0.000 0.000 0.302 13 F C 1.555 177.132 175.800 -0.372 0.000 1.111 13 F CA -0.211 57.643 58.000 -0.242 0.000 1.359 13 F CB -0.022 38.768 39.000 -0.350 0.000 1.097 13 F HN 0.208 nan 8.300 nan 0.000 0.577 14 T N -0.695 113.812 114.554 -0.078 0.000 2.898 14 T HA 0.293 4.644 4.350 0.001 0.000 0.301 14 T C -0.292 174.449 174.700 0.068 0.000 1.049 14 T CA -0.447 61.626 62.100 -0.045 0.000 1.095 14 T CB 0.951 69.805 68.868 -0.024 0.000 0.976 14 T HN 0.301 nan 8.240 nan 0.000 0.539 15 H N -0.296 118.694 119.070 -0.133 0.000 2.949 15 H HA 0.735 5.291 4.556 0.001 0.000 0.356 15 H C 0.480 175.730 175.328 -0.129 0.000 1.212 15 H CA -0.797 55.186 56.048 -0.108 0.000 1.136 15 H CB 0.364 30.079 29.762 -0.078 0.000 1.869 15 H HN 0.731 nan 8.280 nan 0.000 0.556 16 V N -0.760 118.998 119.914 -0.260 0.000 0.689 16 V HA -0.383 3.737 4.120 0.001 0.000 0.092 16 V C 1.635 177.506 176.094 -0.371 0.000 0.803 16 V CA 2.097 64.179 62.300 -0.362 0.000 3.103 16 V CB -1.805 29.863 31.823 -0.258 0.000 0.203 16 V HN 1.003 nan 8.190 nan 0.000 0.118 17 Q N -0.750 118.883 119.800 -0.277 0.000 2.581 17 Q HA 0.395 4.736 4.340 0.001 0.000 0.222 17 Q C 1.993 177.919 176.000 -0.124 0.000 0.904 17 Q CA 1.052 56.632 55.803 -0.372 0.000 0.923 17 Q CB 0.452 29.022 28.738 -0.279 0.000 1.117 17 Q HN 0.964 nan 8.270 nan 0.000 0.618 18 A N 0.811 123.592 122.820 -0.065 0.000 1.845 18 A HA -0.099 4.221 4.320 0.001 0.000 0.215 18 A C 2.140 179.724 177.584 -0.000 0.000 1.195 18 A CA 1.936 53.966 52.037 -0.011 0.000 0.616 18 A CB -1.448 17.534 19.000 -0.030 0.000 0.832 18 A HN 0.566 nan 8.150 nan 0.000 0.443 19 G N -0.313 108.470 108.800 -0.028 0.000 2.414 19 G HA2 -0.083 3.877 3.960 0.001 0.000 0.215 19 G HA3 -0.083 3.877 3.960 0.001 0.000 0.215 19 G C -0.312 174.585 174.900 -0.005 0.000 1.188 19 G CA 1.216 46.305 45.100 -0.018 0.000 0.783 19 G HN 0.500 nan 8.290 nan 0.000 0.537 20 P HA -0.029 nan 4.420 nan 0.000 0.218 20 P C 2.092 179.439 177.300 0.078 0.000 1.148 20 P CA 1.780 64.888 63.100 0.014 0.000 0.822 20 P CB -0.081 31.617 31.700 -0.004 0.000 0.784 21 A N -1.039 121.882 122.820 0.168 0.000 1.902 21 A HA -0.252 4.069 4.320 0.001 0.000 0.217 21 A C 2.469 180.066 177.584 0.023 0.000 1.181 21 A CA 1.802 53.955 52.037 0.194 0.000 0.623 21 A CB -1.819 17.353 19.000 0.286 0.000 0.818 21 A HN 0.308 nan 8.150 nan 0.000 0.443 22 C N -0.091 119.224 119.300 0.026 0.000 2.432 22 C HA -0.104 4.356 4.460 0.001 0.000 0.277 22 C C 3.231 178.199 174.990 -0.037 0.000 1.249 22 C CA 2.313 61.332 59.018 0.001 0.000 1.725 22 C CB -1.398 26.349 27.740 0.011 0.000 2.028 22 C HN 0.744 nan 8.230 nan 0.000 0.477 23 T N -1.351 113.176 114.554 -0.044 0.000 2.857 23 T HA -0.218 4.132 4.350 0.001 0.000 0.266 23 T C 1.879 176.512 174.700 -0.111 0.000 1.048 23 T CA 1.767 63.830 62.100 -0.062 0.000 1.139 23 T CB -0.684 68.153 68.868 -0.053 0.000 0.874 23 T HN 0.786 nan 8.240 nan 0.000 0.455 24 Q N 0.052 119.751 119.800 -0.168 0.000 2.061 24 Q HA -0.137 4.203 4.340 0.001 0.000 0.204 24 Q C 2.330 178.005 176.000 -0.542 0.000 0.984 24 Q CA 1.710 57.304 55.803 -0.348 0.000 0.846 24 Q CB -0.270 28.208 28.738 -0.433 0.000 0.902 24 Q HN 0.476 nan 8.270 nan 0.000 0.421 25 M N -0.181 119.179 119.600 -0.400 0.000 2.229 25 M HA -0.088 4.392 4.480 0.001 0.000 0.264 25 M C 1.778 178.059 176.300 -0.032 0.000 1.063 25 M CA 1.531 56.674 55.300 -0.260 0.000 1.114 25 M CB -0.035 32.554 32.600 -0.018 0.000 1.387 25 M HN 0.285 nan 8.290 nan 0.000 0.420 26 M N -1.180 118.394 119.600 -0.043 0.000 2.117 26 M HA -0.082 4.398 4.480 0.001 0.000 0.262 26 M C 2.149 178.463 176.300 0.023 0.000 1.065 26 M CA 1.684 56.979 55.300 -0.008 0.000 1.114 26 M CB -1.131 31.452 32.600 -0.028 0.000 1.361 26 M HN 0.484 nan 8.290 nan 0.000 0.408 27 G N 0.215 109.020 108.800 0.008 0.000 2.446 27 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 27 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 27 G C 1.163 176.223 174.900 0.266 0.000 1.168 27 G CA 0.683 45.836 45.100 0.089 0.000 0.771 27 G HN 0.280 nan 8.290 nan 0.000 0.551 28 F N 0.844 120.828 119.950 0.056 0.000 2.202 28 F HA 0.085 4.612 4.527 0.000 0.000 0.301 28 F C 2.445 178.336 175.800 0.151 0.000 1.082 28 F CA 0.128 58.189 58.000 0.102 0.000 1.313 28 F CB -0.606 38.473 39.000 0.131 0.000 1.024 28 F HN 0.066 nan 8.300 nan 0.000 0.495 29 L N -1.003 120.398 121.223 0.296 0.000 2.627 29 L HA 0.207 4.547 4.340 0.001 0.000 0.233 29 L C 1.670 178.486 176.870 -0.090 0.000 1.144 29 L CA 0.863 55.768 54.840 0.108 0.000 0.892 29 L CB -0.862 41.217 42.059 0.034 0.000 1.039 29 L HN 0.398 nan 8.230 nan 0.000 0.442 30 G N -0.307 108.489 108.800 -0.006 0.000 2.184 30 G HA2 -0.199 3.761 3.960 0.001 0.000 0.206 30 G HA3 -0.199 3.761 3.960 0.001 0.000 0.206 30 G C 0.458 175.329 174.900 -0.048 0.000 0.995 30 G CA -0.122 44.943 45.100 -0.058 0.000 0.651 30 G HN 0.452 nan 8.290 nan 0.000 0.511 31 A N 0.175 122.975 122.820 -0.033 0.000 2.466 31 A HA 0.499 4.819 4.320 0.001 0.000 0.238 31 A C 0.642 178.208 177.584 -0.030 0.000 1.074 31 A CA 0.695 52.710 52.037 -0.036 0.000 0.774 31 A CB 0.136 19.117 19.000 -0.033 0.000 1.015 31 A HN 0.898 nan 8.150 nan 0.000 0.498 32 N N 1.933 120.610 118.700 -0.039 0.000 2.558 32 N HA 0.332 5.073 4.740 0.001 0.000 0.233 32 N C -1.266 174.211 175.510 -0.055 0.000 1.038 32 N CA -0.434 52.589 53.050 -0.045 0.000 0.934 32 N CB 0.569 39.028 38.487 -0.046 0.000 1.175 32 N HN 0.280 nan 8.380 nan 0.000 0.512 33 V N 5.317 125.197 119.914 -0.057 0.000 2.383 33 V HA 0.341 4.462 4.120 0.001 0.000 0.275 33 V C 0.397 176.438 176.094 -0.087 0.000 1.036 33 V CA -0.532 61.727 62.300 -0.068 0.000 0.889 33 V CB 0.976 32.765 31.823 -0.057 0.000 0.985 33 V HN 0.581 nan 8.190 nan 0.000 0.459 34 I N 5.306 125.814 120.570 -0.103 0.000 2.328 34 I HA 0.354 4.525 4.170 0.001 0.000 0.287 34 I C 0.251 176.284 176.117 -0.140 0.000 1.012 34 I CA -0.257 60.975 61.300 -0.114 0.000 1.195 34 I CB 1.156 39.085 38.000 -0.118 0.000 1.350 34 I HN 0.533 nan 8.210 nan 0.000 0.464 35 K N 7.596 127.937 120.400 -0.098 0.000 2.248 35 K HA 0.505 4.825 4.320 0.001 0.000 0.281 35 K C -0.811 175.728 176.600 -0.102 0.000 1.054 35 K CA -0.377 55.854 56.287 -0.094 0.000 0.903 35 K CB 0.723 33.216 32.500 -0.011 0.000 1.077 35 K HN 0.520 nan 8.250 nan 0.000 0.474 36 I N 4.328 124.788 120.570 -0.183 0.000 2.325 36 I HA 0.164 4.334 4.170 0.001 0.000 0.291 36 I C -0.025 176.074 176.117 -0.031 0.000 1.019 36 I CA -0.154 61.060 61.300 -0.143 0.000 1.302 36 I CB 1.250 39.074 38.000 -0.293 0.000 1.401 36 I HN 0.617 nan 8.210 nan 0.000 0.485 37 E N 5.582 125.781 120.200 -0.000 0.000 2.288 37 E HA 0.413 4.763 4.350 0.001 0.000 0.268 37 E C -0.741 175.870 176.600 0.019 0.000 0.885 37 E CA -1.164 55.247 56.400 0.019 0.000 0.767 37 E CB 2.464 32.174 29.700 0.017 0.000 1.220 37 E HN 0.413 nan 8.360 nan 0.000 0.427 38 R N 1.955 122.466 120.500 0.018 0.000 2.537 38 R HA 0.078 4.418 4.340 0.001 0.000 0.280 38 R C -0.085 176.213 176.300 -0.004 0.000 1.058 38 R CA -0.160 55.947 56.100 0.012 0.000 1.057 38 R CB 0.530 30.834 30.300 0.008 0.000 0.973 38 R HN 0.390 nan 8.270 nan 0.000 0.438 39 R N 2.708 123.206 120.500 -0.004 0.000 2.502 39 R HA 0.005 4.346 4.340 0.001 0.000 0.292 39 R C 0.811 177.105 176.300 -0.010 0.000 0.998 39 R CA 1.294 57.389 56.100 -0.009 0.000 1.056 39 R CB 0.596 30.891 30.300 -0.009 0.000 0.939 39 R HN 1.062 nan 8.270 nan 0.000 0.411 40 G N 1.199 109.991 108.800 -0.014 0.000 2.850 40 G HA2 -0.366 3.594 3.960 0.001 0.000 0.207 40 G HA3 -0.366 3.594 3.960 0.001 0.000 0.207 40 G C 0.812 175.694 174.900 -0.030 0.000 1.302 40 G CA 0.295 45.386 45.100 -0.015 0.000 0.832 40 G HN 0.609 nan 8.290 nan 0.000 0.543 41 S N 0.503 116.182 115.700 -0.035 0.000 2.566 41 S HA 0.506 4.976 4.470 0.001 0.000 0.234 41 S C 2.109 176.659 174.600 -0.083 0.000 1.075 41 S CA 1.489 59.654 58.200 -0.058 0.000 0.926 41 S CB 0.297 63.467 63.200 -0.050 0.000 0.811 41 S HN 2.647 nan 8.310 nan 0.000 0.518 42 G N 2.196 110.961 108.800 -0.059 0.000 2.645 42 G HA2 -0.234 3.727 3.960 0.001 0.000 0.246 42 G HA3 -0.234 3.727 3.960 0.001 0.000 0.246 42 G C -0.711 174.148 174.900 -0.069 0.000 1.322 42 G CA -0.016 45.051 45.100 -0.056 0.000 0.898 42 G HN 0.571 nan 8.290 nan 0.000 0.573 43 D N 0.519 120.894 120.400 -0.042 0.000 2.520 43 D HA 0.168 4.808 4.640 0.001 0.000 0.243 43 D C 2.055 178.231 176.300 -0.206 0.000 1.160 43 D CA 0.548 54.527 54.000 -0.034 0.000 0.877 43 D CB 0.340 41.209 40.800 0.115 0.000 1.150 43 D HN 0.412 nan 8.370 nan 0.000 0.494 44 M N 2.116 121.506 119.600 -0.349 0.000 2.204 44 M HA -0.314 4.167 4.480 0.001 0.000 0.255 44 M C 2.248 178.026 176.300 -0.872 0.000 1.073 44 M CA 2.625 57.477 55.300 -0.747 0.000 1.084 44 M CB -0.802 31.072 32.600 -1.211 0.000 1.289 44 M HN 0.605 nan 8.290 nan 0.000 0.419 45 T N -1.169 112.913 114.554 -0.786 0.000 2.836 45 T HA -0.229 4.121 4.350 0.001 0.000 0.268 45 T C 1.541 176.161 174.700 -0.132 0.000 1.080 45 T CA 1.626 63.417 62.100 -0.514 0.000 1.128 45 T CB -0.684 67.891 68.868 -0.488 0.000 0.839 45 T HN 0.474 nan 8.240 nan 0.000 0.507 46 R N 1.043 121.429 120.500 -0.191 0.000 2.091 46 R HA 0.021 4.361 4.340 0.001 0.000 0.238 46 R C 2.755 178.999 176.300 -0.093 0.000 1.136 46 R CA 1.446 57.414 56.100 -0.219 0.000 0.959 46 R CB -0.657 29.396 30.300 -0.412 0.000 0.856 46 R HN 0.559 nan 8.270 nan 0.000 0.437 47 G N -0.888 107.853 108.800 -0.099 0.000 3.284 47 G HA2 -0.021 3.939 3.960 0.001 0.000 0.236 47 G HA3 -0.021 3.939 3.960 0.001 0.000 0.236 47 G C -0.664 174.375 174.900 0.232 0.000 1.158 47 G CA -0.491 44.627 45.100 0.029 0.000 0.774 47 G HN 0.074 nan 8.290 nan 0.000 0.545 48 W N 0.634 121.964 121.300 0.050 0.000 2.349 48 W HA 0.580 5.241 4.660 0.000 0.000 0.309 48 W C 0.518 177.122 176.519 0.141 0.000 1.083 48 W CA -1.642 55.757 57.345 0.091 0.000 1.224 48 W CB 0.253 29.783 29.460 0.116 0.000 1.256 48 W HN 0.015 nan 8.180 nan 0.000 0.461 49 L N 2.454 123.847 121.223 0.285 0.000 3.634 49 L HA -0.316 4.024 4.340 0.001 0.000 0.423 49 L C 0.652 177.620 176.870 0.163 0.000 1.253 49 L CA 0.280 55.224 54.840 0.174 0.000 0.885 49 L CB -1.952 40.197 42.059 0.149 0.000 1.789 49 L HN 0.471 nan 8.230 nan 0.000 0.904 50 Q N 1.245 121.134 119.800 0.149 0.000 2.432 50 Q HA 0.028 4.368 4.340 0.001 0.000 0.264 50 Q C 1.365 177.416 176.000 0.086 0.000 1.035 50 Q CA 0.690 56.562 55.803 0.115 0.000 0.908 50 Q CB 0.666 29.458 28.738 0.091 0.000 1.280 50 Q HN 0.490 nan 8.270 nan 0.000 0.455 51 D N 0.687 121.132 120.400 0.075 0.000 2.380 51 D HA 0.032 4.673 4.640 0.001 0.000 0.212 51 D C -0.172 176.158 176.300 0.050 0.000 1.021 51 D CA 0.465 54.501 54.000 0.060 0.000 0.884 51 D CB 0.585 41.421 40.800 0.060 0.000 1.001 51 D HN 0.153 nan 8.370 nan 0.000 0.506 52 K N 1.047 121.476 120.400 0.048 0.000 2.316 52 K HA 0.467 4.787 4.320 0.001 0.000 0.251 52 K C -2.789 173.833 176.600 0.037 0.000 0.934 52 K CA -1.999 54.312 56.287 0.039 0.000 0.802 52 K CB 2.709 35.231 32.500 0.037 0.000 1.171 52 K HN -0.149 nan 8.250 nan 0.000 0.426 53 P HA 0.163 nan 4.420 nan 0.000 0.275 53 P C -0.892 176.419 177.300 0.019 0.000 1.228 53 P CA -0.233 62.883 63.100 0.027 0.000 0.786 53 P CB 0.443 32.157 31.700 0.025 0.000 0.927 54 N N -1.450 117.258 118.700 0.014 0.000 2.714 54 N HA -0.120 4.620 4.740 0.001 0.000 0.250 54 N C -0.887 174.622 175.510 -0.003 0.000 1.117 54 N CA 0.790 53.841 53.050 0.001 0.000 0.719 54 N CB -1.948 36.540 38.487 0.001 0.000 1.081 54 N HN 0.153 nan 8.380 nan 0.000 0.557 55 V N 0.300 120.217 119.914 0.006 0.000 2.540 55 V HA 0.237 4.357 4.120 0.001 0.000 0.302 55 V C 0.229 176.325 176.094 0.003 0.000 1.035 55 V CA -1.146 61.158 62.300 0.007 0.000 0.873 55 V CB 2.177 34.016 31.823 0.027 0.000 0.992 55 V HN 0.056 nan 8.190 nan 0.000 0.428 56 D N 2.708 123.095 120.400 -0.022 0.000 2.525 56 D HA 0.018 4.658 4.640 0.001 0.000 0.235 56 D C 0.630 176.971 176.300 0.069 0.000 1.137 56 D CA 0.507 54.486 54.000 -0.035 0.000 0.868 56 D CB 1.103 41.852 40.800 -0.084 0.000 1.180 56 D HN 0.656 nan 8.370 nan 0.000 0.465 57 S N 2.086 117.856 115.700 0.117 0.000 2.596 57 S HA 0.060 4.530 4.470 0.001 0.000 0.260 57 S C 1.543 176.262 174.600 0.198 0.000 1.336 57 S CA -0.590 57.713 58.200 0.172 0.000 0.993 57 S CB 0.726 64.067 63.200 0.236 0.000 0.923 57 S HN 0.443 nan 8.310 nan 0.000 0.567 58 L N 1.546 122.865 121.223 0.160 0.000 2.141 58 L HA -0.039 4.301 4.340 0.001 0.000 0.209 58 L C 2.228 179.258 176.870 0.267 0.000 1.094 58 L CA 1.381 56.288 54.840 0.112 0.000 0.763 58 L CB -0.597 41.506 42.059 0.074 0.000 0.908 58 L HN 0.864 nan 8.230 nan 0.000 0.437 59 Y N -0.408 120.009 120.300 0.196 0.000 2.151 59 Y HA -0.416 4.134 4.550 0.000 0.000 0.284 59 Y C 2.561 178.642 175.900 0.302 0.000 1.166 59 Y CA 1.628 59.887 58.100 0.265 0.000 1.163 59 Y CB -0.061 38.548 38.460 0.249 0.000 0.974 59 Y HN 0.166 nan 8.280 nan 0.000 0.511 60 F N 0.902 120.997 119.950 0.242 0.000 2.098 60 F HA -0.208 4.319 4.527 0.001 0.000 0.294 60 F C 2.713 178.608 175.800 0.157 0.000 1.107 60 F CA 2.094 60.167 58.000 0.121 0.000 1.234 60 F CB -0.765 38.253 39.000 0.030 0.000 1.002 60 F HN 0.039 nan 8.300 nan 0.000 0.472 61 T N -1.298 113.364 114.554 0.181 0.000 2.867 61 T HA -0.210 4.140 4.350 0.001 0.000 0.268 61 T C 1.809 176.507 174.700 -0.004 0.000 1.057 61 T CA 1.634 63.743 62.100 0.017 0.000 1.136 61 T CB -0.625 68.170 68.868 -0.122 0.000 0.874 61 T HN 0.386 nan 8.240 nan 0.000 0.466 62 M N -0.452 119.180 119.600 0.052 0.000 2.619 62 M HA 0.298 4.779 4.480 0.001 0.000 0.251 62 M C 0.586 176.755 176.300 -0.218 0.000 1.106 62 M CA 0.847 56.160 55.300 0.022 0.000 1.086 62 M CB -0.090 32.514 32.600 0.007 0.000 1.465 62 M HN 0.196 nan 8.290 nan 0.000 0.506 63 F N -0.492 119.425 119.950 -0.054 0.000 2.661 63 F HA 0.245 4.773 4.527 0.000 0.000 0.306 63 F C 0.991 176.631 175.800 -0.266 0.000 1.094 63 F CA -0.056 57.871 58.000 -0.122 0.000 1.254 63 F CB 0.383 39.343 39.000 -0.066 0.000 1.040 63 F HN 0.120 nan 8.300 nan 0.000 0.562 64 N N -1.338 117.229 118.700 -0.222 0.000 2.142 64 N HA 0.103 4.843 4.740 0.001 0.000 0.233 64 N C -0.363 175.079 175.510 -0.114 0.000 1.335 64 N CA 0.087 52.939 53.050 -0.330 0.000 0.837 64 N CB 0.395 38.313 38.487 -0.948 0.000 1.238 64 N HN 0.003 nan 8.380 nan 0.000 0.501 65 C N 1.657 120.979 119.300 0.037 0.000 2.775 65 C HA 0.017 4.477 4.460 0.001 0.000 0.391 65 C C 1.340 176.443 174.990 0.189 0.000 1.295 65 C CA 0.224 59.347 59.018 0.176 0.000 2.119 65 C CB -0.724 27.209 27.740 0.321 0.000 2.705 65 C HN 0.556 nan 8.230 nan 0.000 0.710 66 N N 0.374 119.183 118.700 0.183 0.000 2.727 66 N HA -0.181 4.559 4.740 0.001 0.000 0.249 66 N C -0.969 174.572 175.510 0.050 0.000 1.048 66 N CA 1.271 54.406 53.050 0.141 0.000 0.714 66 N CB -0.978 37.676 38.487 0.279 0.000 0.959 66 N HN 0.764 nan 8.380 nan 0.000 0.544 67 K N -0.375 120.032 120.400 0.011 0.000 2.509 67 K HA 0.570 4.890 4.320 0.001 0.000 0.266 67 K C -0.382 176.154 176.600 -0.105 0.000 0.987 67 K CA -0.914 55.348 56.287 -0.042 0.000 0.868 67 K CB 2.430 34.913 32.500 -0.027 0.000 1.421 67 K HN -0.037 nan 8.250 nan 0.000 0.444 68 R N 0.360 120.750 120.500 -0.184 0.000 2.664 68 R HA 0.395 4.735 4.340 0.001 0.000 0.286 68 R C -0.691 175.606 176.300 -0.005 0.000 0.967 68 R CA -0.781 55.128 56.100 -0.319 0.000 0.933 68 R CB 2.060 32.048 30.300 -0.520 0.000 1.146 68 R HN 0.552 nan 8.270 nan 0.000 0.468 69 S N 2.358 118.187 115.700 0.214 0.000 2.451 69 S HA 0.523 4.994 4.470 0.001 0.000 0.301 69 S C -0.617 174.062 174.600 0.132 0.000 1.116 69 S CA -0.752 57.545 58.200 0.162 0.000 1.093 69 S CB 0.650 63.959 63.200 0.181 0.000 1.017 69 S HN 0.528 nan 8.310 nan 0.000 0.482 70 I N 3.484 124.084 120.570 0.050 0.000 2.545 70 I HA 0.541 4.711 4.170 0.001 0.000 0.292 70 I C -0.561 175.555 176.117 -0.001 0.000 1.040 70 I CA -0.556 60.759 61.300 0.024 0.000 1.068 70 I CB 1.745 39.742 38.000 -0.004 0.000 1.251 70 I HN 0.653 nan 8.210 nan 0.000 0.424 71 E N 6.158 126.353 120.200 -0.008 0.000 2.319 71 E HA 0.570 4.920 4.350 0.001 0.000 0.268 71 E C -1.423 175.157 176.600 -0.033 0.000 1.050 71 E CA -0.645 55.745 56.400 -0.018 0.000 0.878 71 E CB 2.025 31.713 29.700 -0.019 0.000 1.066 71 E HN 0.401 nan 8.360 nan 0.000 0.406 72 L N 2.091 123.303 121.223 -0.017 0.000 2.641 72 L HA 0.208 4.548 4.340 0.001 0.000 0.261 72 L C -1.864 175.012 176.870 0.010 0.000 0.926 72 L CA -0.377 54.456 54.840 -0.012 0.000 0.917 72 L CB 2.124 44.181 42.059 -0.003 0.000 1.361 72 L HN 0.431 nan 8.230 nan 0.000 0.417 73 D N 4.278 124.680 120.400 0.004 0.000 2.365 73 D HA 0.302 4.943 4.640 0.001 0.000 0.237 73 D C 0.836 177.156 176.300 0.033 0.000 1.190 73 D CA 0.120 54.128 54.000 0.014 0.000 0.867 73 D CB 0.904 41.706 40.800 0.004 0.000 1.050 73 D HN 0.624 nan 8.370 nan 0.000 0.491 74 M N 2.349 121.978 119.600 0.048 0.000 2.618 74 M HA 0.037 4.518 4.480 0.001 0.000 0.240 74 M C 1.365 177.708 176.300 0.073 0.000 1.123 74 M CA 0.513 55.862 55.300 0.081 0.000 1.060 74 M CB 0.267 32.932 32.600 0.108 0.000 1.535 74 M HN 0.280 nan 8.290 nan 0.000 0.507 75 K N -0.201 120.220 120.400 0.035 0.000 2.365 75 K HA 0.013 4.334 4.320 0.001 0.000 0.197 75 K C 0.688 177.304 176.600 0.027 0.000 1.042 75 K CA 0.662 56.962 56.287 0.022 0.000 0.987 75 K CB -0.131 32.370 32.500 0.002 0.000 0.779 75 K HN 0.340 nan 8.250 nan 0.000 0.484 76 T N -0.763 113.811 114.554 0.034 0.000 2.889 76 T HA 0.176 4.526 4.350 0.001 0.000 0.291 76 T C -2.172 172.553 174.700 0.042 0.000 0.995 76 T CA -2.071 60.046 62.100 0.029 0.000 1.092 76 T CB 1.514 70.395 68.868 0.022 0.000 0.954 76 T HN -0.250 nan 8.240 nan 0.000 0.506 77 P HA -0.136 nan 4.420 nan 0.000 0.216 77 P C 1.114 178.445 177.300 0.052 0.000 1.154 77 P CA 1.197 64.319 63.100 0.038 0.000 0.865 77 P CB 0.101 31.815 31.700 0.022 0.000 0.789 78 E N -1.147 119.077 120.200 0.041 0.000 2.158 78 E HA -0.015 4.335 4.350 0.001 0.000 0.191 78 E C 2.280 178.909 176.600 0.049 0.000 0.982 78 E CA 1.183 57.607 56.400 0.039 0.000 0.823 78 E CB -1.142 28.571 29.700 0.023 0.000 0.766 78 E HN 0.225 nan 8.360 nan 0.000 0.468 79 G N 1.411 110.242 108.800 0.052 0.000 2.422 79 G HA2 -0.247 3.714 3.960 0.001 0.000 0.218 79 G HA3 -0.247 3.714 3.960 0.001 0.000 0.218 79 G C 1.359 176.326 174.900 0.112 0.000 1.140 79 G CA 0.468 45.605 45.100 0.062 0.000 0.775 79 G HN 0.099 nan 8.290 nan 0.000 0.545 80 K N 0.270 120.766 120.400 0.161 0.000 2.103 80 K HA -0.018 4.303 4.320 0.001 0.000 0.204 80 K C 2.194 178.960 176.600 0.278 0.000 1.052 80 K CA 0.795 57.261 56.287 0.299 0.000 0.945 80 K CB -0.124 32.544 32.500 0.279 0.000 0.722 80 K HN 0.370 nan 8.250 nan 0.000 0.443 81 E N 1.057 121.356 120.200 0.165 0.000 2.051 81 E HA -0.187 4.164 4.350 0.001 0.000 0.192 81 E C 1.996 178.656 176.600 0.100 0.000 0.991 81 E CA 0.902 57.379 56.400 0.128 0.000 0.799 81 E CB 0.099 29.847 29.700 0.081 0.000 0.748 81 E HN 0.037 nan 8.360 nan 0.000 0.449 82 L N 1.187 122.453 121.223 0.071 0.000 2.079 82 L HA -0.204 4.136 4.340 0.001 0.000 0.210 82 L C 2.389 179.274 176.870 0.025 0.000 1.081 82 L CA 1.277 56.140 54.840 0.037 0.000 0.752 82 L CB -0.756 41.315 42.059 0.019 0.000 0.896 82 L HN 0.276 nan 8.230 nan 0.000 0.433 83 L N -0.979 120.267 121.223 0.039 0.000 2.056 83 L HA -0.220 4.120 4.340 0.001 0.000 0.207 83 L C 2.458 179.312 176.870 -0.027 0.000 1.078 83 L CA 1.388 56.206 54.840 -0.037 0.000 0.749 83 L CB -0.293 41.675 42.059 -0.153 0.000 0.901 83 L HN 0.404 nan 8.230 nan 0.000 0.433 84 E N -0.524 119.734 120.200 0.098 0.000 2.085 84 E HA -0.287 4.064 4.350 0.001 0.000 0.194 84 E C 2.133 178.751 176.600 0.030 0.000 0.994 84 E CA 1.296 57.763 56.400 0.111 0.000 0.801 84 E CB -0.038 29.765 29.700 0.170 0.000 0.743 84 E HN 0.564 nan 8.360 nan 0.000 0.453 85 Q N -0.056 119.760 119.800 0.027 0.000 2.084 85 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 85 Q C 2.133 178.126 176.000 -0.011 0.000 0.978 85 Q CA 1.358 57.165 55.803 0.006 0.000 0.844 85 Q CB -0.060 28.684 28.738 0.010 0.000 0.898 85 Q HN 0.309 nan 8.270 nan 0.000 0.426 86 M N -0.276 119.311 119.600 -0.021 0.000 2.254 86 M HA -0.114 4.366 4.480 0.001 0.000 0.265 86 M C 1.929 178.207 176.300 -0.038 0.000 1.066 86 M CA 1.159 56.435 55.300 -0.040 0.000 1.123 86 M CB 0.007 32.567 32.600 -0.067 0.000 1.388 86 M HN 0.185 nan 8.290 nan 0.000 0.425 87 I N -0.133 120.419 120.570 -0.031 0.000 2.315 87 I HA -0.281 3.890 4.170 0.001 0.000 0.248 87 I C 2.373 178.478 176.117 -0.019 0.000 1.117 87 I CA 1.279 62.569 61.300 -0.017 0.000 1.404 87 I CB -0.228 37.761 38.000 -0.019 0.000 1.071 87 I HN 0.214 nan 8.210 nan 0.000 0.419 88 K N 0.633 121.017 120.400 -0.026 0.000 2.283 88 K HA -0.121 4.199 4.320 0.001 0.000 0.202 88 K C 1.772 178.358 176.600 -0.023 0.000 1.048 88 K CA 1.034 57.303 56.287 -0.029 0.000 0.948 88 K CB 0.166 32.649 32.500 -0.028 0.000 0.742 88 K HN 0.209 nan 8.250 nan 0.000 0.458 89 K N -0.499 119.887 120.400 -0.023 0.000 2.361 89 K HA 0.150 4.471 4.320 0.001 0.000 0.194 89 K C 0.103 176.689 176.600 -0.024 0.000 1.032 89 K CA -0.165 56.108 56.287 -0.023 0.000 1.048 89 K CB 0.852 33.338 32.500 -0.024 0.000 0.842 89 K HN 0.033 nan 8.250 nan 0.000 0.526 90 A N 1.149 123.956 122.820 -0.022 0.000 2.322 90 A HA 0.123 4.443 4.320 0.001 0.000 0.269 90 A C 0.105 177.684 177.584 -0.009 0.000 1.094 90 A CA -0.357 51.669 52.037 -0.019 0.000 0.807 90 A CB 0.475 19.467 19.000 -0.013 0.000 1.047 90 A HN 0.041 nan 8.150 nan 0.000 0.487 91 D N -0.633 119.760 120.400 -0.011 0.000 2.338 91 D HA 0.117 4.757 4.640 0.001 0.000 0.224 91 D C 0.389 176.696 176.300 0.011 0.000 0.967 91 D CA 1.555 55.550 54.000 -0.008 0.000 0.896 91 D CB 0.705 41.490 40.800 -0.024 0.000 1.028 91 D HN 0.454 nan 8.370 nan 0.000 0.493 92 V N 0.019 119.940 119.914 0.012 0.000 2.841 92 V HA 0.544 4.664 4.120 0.001 0.000 0.310 92 V C -1.439 174.686 176.094 0.051 0.000 1.090 92 V CA -0.830 61.490 62.300 0.033 0.000 0.930 92 V CB 2.147 33.979 31.823 0.014 0.000 1.014 92 V HN -0.122 nan 8.190 nan 0.000 0.425 93 M N 5.661 125.322 119.600 0.101 0.000 2.294 93 M HA 0.720 5.200 4.480 0.001 0.000 0.335 93 M C -1.037 175.355 176.300 0.153 0.000 1.079 93 M CA -0.781 54.623 55.300 0.173 0.000 0.982 93 M CB 1.901 34.672 32.600 0.285 0.000 1.651 93 M HN 0.467 nan 8.290 nan 0.000 0.437 94 V N 2.535 122.549 119.914 0.166 0.000 2.495 94 V HA 0.633 4.753 4.120 0.001 0.000 0.298 94 V C -0.668 175.498 176.094 0.120 0.000 1.031 94 V CA -0.490 61.865 62.300 0.091 0.000 0.871 94 V CB 1.762 33.605 31.823 0.034 0.000 0.988 94 V HN 0.945 nan 8.190 nan 0.000 0.432 95 E N 3.184 123.389 120.200 0.008 0.000 2.366 95 E HA 0.574 4.924 4.350 0.001 0.000 0.278 95 E C -0.990 175.532 176.600 -0.131 0.000 0.923 95 E CA -0.908 55.413 56.400 -0.131 0.000 0.761 95 E CB 1.727 31.295 29.700 -0.220 0.000 1.231 95 E HN 0.526 nan 8.360 nan 0.000 0.443 96 N N 2.623 121.201 118.700 -0.205 0.000 2.733 96 N HA 0.198 4.938 4.740 0.001 0.000 0.271 96 N C -1.347 174.207 175.510 0.073 0.000 1.720 96 N CA -0.689 52.328 53.050 -0.054 0.000 0.803 96 N CB -0.607 37.856 38.487 -0.039 0.000 1.208 96 N HN 0.586 nan 8.380 nan 0.000 0.498 97 F N 0.722 120.732 119.950 0.101 0.000 2.721 97 F HA 0.383 4.911 4.527 0.001 0.000 0.301 97 F C 1.308 177.147 175.800 0.066 0.000 1.096 97 F CA 0.232 58.290 58.000 0.097 0.000 1.308 97 F CB 0.653 39.648 39.000 -0.008 0.000 1.086 97 F HN 0.527 nan 8.300 nan 0.000 0.587 98 G N 2.117 111.047 108.800 0.216 0.000 2.767 98 G HA2 -0.179 3.781 3.960 0.001 0.000 0.686 98 G HA3 -0.179 3.781 3.960 0.001 0.000 0.686 98 G C -2.869 172.097 174.900 0.110 0.000 1.213 98 G CA -1.420 43.756 45.100 0.127 0.000 0.803 98 G HN -0.032 nan 8.290 nan 0.000 0.603 99 P HA 0.389 nan 4.420 nan 0.000 0.268 99 P C 1.263 178.596 177.300 0.055 0.000 1.205 99 P CA 1.596 64.737 63.100 0.068 0.000 0.771 99 P CB 0.800 32.541 31.700 0.068 0.000 0.858 100 G N 1.954 110.784 108.800 0.050 0.000 2.189 100 G HA2 -0.360 3.600 3.960 0.001 0.000 0.267 100 G HA3 -0.360 3.600 3.960 0.001 0.000 0.267 100 G C 1.123 176.032 174.900 0.015 0.000 0.975 100 G CA 0.665 45.786 45.100 0.034 0.000 0.644 100 G HN 0.737 nan 8.290 nan 0.000 0.537 101 A N -0.046 122.780 122.820 0.010 0.000 1.873 101 A HA 0.326 4.646 4.320 0.001 0.000 0.215 101 A C 2.421 179.941 177.584 -0.107 0.000 1.186 101 A CA 1.818 53.810 52.037 -0.076 0.000 0.616 101 A CB -0.358 18.562 19.000 -0.134 0.000 0.823 101 A HN 0.764 nan 8.150 nan 0.000 0.442 102 L N -0.381 120.823 121.223 -0.032 0.000 2.046 102 L HA -0.224 4.117 4.340 0.001 0.000 0.208 102 L C 2.065 178.980 176.870 0.075 0.000 1.077 102 L CA 1.918 56.763 54.840 0.009 0.000 0.747 102 L CB -0.644 41.444 42.059 0.047 0.000 0.896 102 L HN 0.417 nan 8.230 nan 0.000 0.432 103 D N -0.472 119.966 120.400 0.063 0.000 2.149 103 D HA -0.202 4.438 4.640 0.001 0.000 0.198 103 D C 2.157 178.459 176.300 0.003 0.000 0.990 103 D CA 1.081 55.112 54.000 0.051 0.000 0.839 103 D CB -0.098 40.730 40.800 0.045 0.000 0.948 103 D HN 0.211 nan 8.370 nan 0.000 0.460 104 R N -0.549 119.943 120.500 -0.013 0.000 2.236 104 R HA 0.142 4.482 4.340 0.001 0.000 0.208 104 R C 1.683 177.961 176.300 -0.037 0.000 1.036 104 R CA 0.405 56.484 56.100 -0.035 0.000 1.001 104 R CB -0.071 30.202 30.300 -0.044 0.000 0.896 104 R HN 0.244 nan 8.270 nan 0.000 0.464 105 M N -1.054 118.545 119.600 -0.002 0.000 2.595 105 M HA 0.081 4.561 4.480 0.001 0.000 0.248 105 M C 1.002 177.300 176.300 -0.002 0.000 1.119 105 M CA 0.889 56.225 55.300 0.059 0.000 1.079 105 M CB 0.901 33.602 32.600 0.169 0.000 1.472 105 M HN 0.423 nan 8.290 nan 0.000 0.501 106 G N -0.431 108.302 108.800 -0.112 0.000 2.195 106 G HA2 -0.232 3.729 3.960 0.001 0.000 0.224 106 G HA3 -0.232 3.729 3.960 0.001 0.000 0.224 106 G C 0.011 174.624 174.900 -0.478 0.000 0.990 106 G CA -0.606 44.276 45.100 -0.363 0.000 0.639 106 G HN 0.383 nan 8.290 nan 0.000 0.514 107 F N 3.465 123.471 119.950 0.093 0.000 2.461 107 F HA 0.430 4.957 4.527 0.000 0.000 0.321 107 F C 1.449 177.332 175.800 0.138 0.000 1.203 107 F CA -0.062 58.039 58.000 0.168 0.000 1.238 107 F CB 0.153 39.227 39.000 0.123 0.000 1.528 107 F HN 0.191 nan 8.300 nan 0.000 0.554 108 T N -2.847 111.828 114.554 0.202 0.000 2.855 108 T HA -0.190 4.160 4.350 0.001 0.000 0.322 108 T C 1.346 176.225 174.700 0.299 0.000 1.088 108 T CA -0.576 61.648 62.100 0.207 0.000 1.104 108 T CB 0.798 69.742 68.868 0.127 0.000 0.996 108 T HN 0.695 nan 8.240 nan 0.000 0.549 109 W N 1.580 122.936 121.300 0.094 0.000 2.325 109 W HA -0.233 4.427 4.660 0.001 0.000 0.299 109 W C 1.402 177.975 176.519 0.090 0.000 1.215 109 W CA 1.678 59.073 57.345 0.083 0.000 1.244 109 W CB -0.101 29.393 29.460 0.056 0.000 1.140 109 W HN 0.818 nan 8.180 nan 0.000 0.523 110 E N -0.309 119.885 120.200 -0.010 0.000 2.047 110 E HA -0.247 4.103 4.350 0.001 0.000 0.191 110 E C 1.762 178.318 176.600 -0.073 0.000 0.987 110 E CA 1.792 58.115 56.400 -0.128 0.000 0.799 110 E CB -1.220 28.479 29.700 -0.002 0.000 0.752 110 E HN 0.348 nan 8.360 nan 0.000 0.449 111 Y N 0.611 120.846 120.300 -0.108 0.000 2.220 111 Y HA -0.074 4.477 4.550 0.001 0.000 0.291 111 Y C 1.884 177.747 175.900 -0.062 0.000 1.129 111 Y CA 0.955 59.004 58.100 -0.084 0.000 1.161 111 Y CB -0.327 38.083 38.460 -0.083 0.000 0.997 111 Y HN -0.017 nan 8.280 nan 0.000 0.522 112 I N 0.108 120.669 120.570 -0.014 0.000 2.151 112 I HA -0.430 3.740 4.170 0.001 0.000 0.243 112 I C 2.485 178.437 176.117 -0.276 0.000 1.080 112 I CA 1.830 63.077 61.300 -0.088 0.000 1.339 112 I CB -0.482 37.579 38.000 0.103 0.000 1.039 112 I HN 0.302 nan 8.210 nan 0.000 0.409 113 Q N 0.079 119.579 119.800 -0.500 0.000 2.077 113 Q HA -0.309 4.031 4.340 0.001 0.000 0.206 113 Q C 2.202 178.031 176.000 -0.286 0.000 0.989 113 Q CA 2.096 57.589 55.803 -0.517 0.000 0.853 113 Q CB -0.250 28.062 28.738 -0.710 0.000 0.907 113 Q HN 0.524 nan 8.270 nan 0.000 0.418 114 E N 0.566 120.626 120.200 -0.233 0.000 2.110 114 E HA -0.201 4.150 4.350 0.001 0.000 0.193 114 E C 1.924 178.406 176.600 -0.197 0.000 0.988 114 E CA 0.741 57.042 56.400 -0.164 0.000 0.804 114 E CB -0.014 29.641 29.700 -0.075 0.000 0.745 114 E HN 0.328 nan 8.360 nan 0.000 0.458 115 L N 0.090 121.138 121.223 -0.292 0.000 2.056 115 L HA -0.062 4.278 4.340 0.001 0.000 0.207 115 L C 1.167 177.952 176.870 -0.140 0.000 1.078 115 L CA 0.660 55.354 54.840 -0.242 0.000 0.749 115 L CB -0.111 41.779 42.059 -0.282 0.000 0.901 115 L HN 0.083 nan 8.230 nan 0.000 0.433 116 N N -0.978 117.643 118.700 -0.133 0.000 2.664 116 N HA 0.144 4.884 4.740 0.001 0.000 0.268 116 N C -2.209 173.243 175.510 -0.096 0.000 1.222 116 N CA -1.511 51.487 53.050 -0.087 0.000 0.805 116 N CB 1.290 39.745 38.487 -0.053 0.000 1.399 116 N HN -0.238 nan 8.380 nan 0.000 0.547 117 P HA -0.077 nan 4.420 nan 0.000 0.229 117 P C 0.641 177.919 177.300 -0.038 0.000 1.150 117 P CA 0.844 63.891 63.100 -0.089 0.000 0.765 117 P CB 0.549 32.208 31.700 -0.067 0.000 0.783 118 R N -0.867 119.620 120.500 -0.023 0.000 2.237 118 R HA 0.145 4.485 4.340 0.001 0.000 0.195 118 R C 0.740 177.055 176.300 0.026 0.000 0.956 118 R CA -0.118 55.981 56.100 -0.003 0.000 1.029 118 R CB -0.055 30.234 30.300 -0.018 0.000 0.972 118 R HN 0.050 nan 8.270 nan 0.000 0.493 119 V N 2.397 122.335 119.914 0.040 0.000 2.585 119 V HA 0.087 4.207 4.120 0.001 0.000 0.296 119 V C 0.092 176.297 176.094 0.184 0.000 1.035 119 V CA 0.067 62.418 62.300 0.083 0.000 1.084 119 V CB 0.508 32.377 31.823 0.077 0.000 0.953 119 V HN 0.070 nan 8.190 nan 0.000 0.483 120 I N 7.048 127.703 120.570 0.142 0.000 2.395 120 I HA 0.237 4.407 4.170 0.001 0.000 0.289 120 I C -0.279 175.920 176.117 0.137 0.000 1.023 120 I CA -0.246 61.139 61.300 0.141 0.000 1.350 120 I CB 1.396 39.428 38.000 0.053 0.000 1.409 120 I HN 0.453 nan 8.210 nan 0.000 0.507 121 L N 7.942 129.220 121.223 0.091 0.000 2.265 121 L HA 0.697 5.037 4.340 0.001 0.000 0.289 121 L C -0.232 176.585 176.870 -0.088 0.000 1.033 121 L CA -0.082 54.777 54.840 0.032 0.000 0.814 121 L CB 0.816 42.906 42.059 0.051 0.000 1.203 121 L HN 0.644 nan 8.230 nan 0.000 0.423 122 A N 3.591 126.395 122.820 -0.028 0.000 2.342 122 A HA 0.891 5.211 4.320 0.001 0.000 0.323 122 A C -0.691 176.873 177.584 -0.033 0.000 1.125 122 A CA -0.461 51.550 52.037 -0.043 0.000 0.785 122 A CB 1.144 20.134 19.000 -0.017 0.000 1.221 122 A HN 0.666 nan 8.150 nan 0.000 0.463 123 S N 0.367 116.039 115.700 -0.046 0.000 2.536 123 S HA 0.625 5.095 4.470 0.001 0.000 0.287 123 S C -0.606 173.975 174.600 -0.032 0.000 1.101 123 S CA -0.566 57.613 58.200 -0.035 0.000 0.950 123 S CB 1.772 64.951 63.200 -0.035 0.000 1.056 123 S HN 0.662 nan 8.310 nan 0.000 0.481 124 V N 3.077 122.973 119.914 -0.030 0.000 2.472 124 V HA 0.596 4.717 4.120 0.001 0.000 0.290 124 V C -0.311 175.761 176.094 -0.036 0.000 1.037 124 V CA -0.625 61.653 62.300 -0.037 0.000 0.908 124 V CB 1.181 32.980 31.823 -0.040 0.000 0.985 124 V HN 0.894 nan 8.190 nan 0.000 0.454 125 K N 2.092 122.463 120.400 -0.049 0.000 2.399 125 K HA 0.725 5.045 4.320 0.001 0.000 0.260 125 K C 1.038 177.583 176.600 -0.091 0.000 1.049 125 K CA -0.260 56.002 56.287 -0.043 0.000 0.890 125 K CB 1.111 33.608 32.500 -0.005 0.000 1.430 125 K HN 0.446 nan 8.250 nan 0.000 0.459 126 G N -0.372 108.380 108.800 -0.081 0.000 2.404 126 G HA2 0.018 3.979 3.960 0.001 0.000 0.213 126 G HA3 0.018 3.979 3.960 0.001 0.000 0.213 126 G C -0.432 174.245 174.900 -0.371 0.000 1.189 126 G CA 1.012 45.998 45.100 -0.191 0.000 0.796 126 G HN 0.361 nan 8.290 nan 0.000 0.532 127 Y N -0.603 119.593 120.300 -0.173 0.000 2.598 127 Y HA 0.668 5.219 4.550 0.000 0.000 0.340 127 Y C 0.522 176.349 175.900 -0.123 0.000 1.038 127 Y CA -1.213 56.743 58.100 -0.240 0.000 1.100 127 Y CB 1.620 39.837 38.460 -0.405 0.000 1.281 127 Y HN 0.233 nan 8.280 nan 0.000 0.488 128 A N 0.823 123.692 122.820 0.081 0.000 2.445 128 A HA 0.155 4.475 4.320 0.001 0.000 0.242 128 A C 0.108 177.763 177.584 0.118 0.000 1.075 128 A CA -0.458 51.629 52.037 0.084 0.000 0.777 128 A CB -0.108 18.950 19.000 0.096 0.000 1.013 128 A HN 0.803 nan 8.150 nan 0.000 0.493 129 E N 0.654 120.897 120.200 0.071 0.000 2.585 129 E HA 0.300 4.650 4.350 0.001 0.000 0.252 129 E C 1.138 177.786 176.600 0.081 0.000 0.981 129 E CA 1.120 57.561 56.400 0.067 0.000 0.943 129 E CB -0.249 29.471 29.700 0.032 0.000 0.923 129 E HN 1.505 nan 8.360 nan 0.000 0.486 130 G N 3.758 112.612 108.800 0.090 0.000 2.179 130 G HA2 -0.259 3.701 3.960 0.001 0.000 0.220 130 G HA3 -0.259 3.701 3.960 0.001 0.000 0.220 130 G C 0.040 174.995 174.900 0.092 0.000 0.990 130 G CA 0.109 45.252 45.100 0.072 0.000 0.646 130 G HN 0.764 nan 8.290 nan 0.000 0.517 131 H N 0.909 120.002 119.070 0.039 0.000 2.629 131 H HA 0.558 5.114 4.556 0.000 0.000 0.357 131 H C 1.735 177.062 175.328 -0.002 0.000 1.121 131 H CA 0.600 56.667 56.048 0.031 0.000 1.406 131 H CB 1.470 31.279 29.762 0.080 0.000 1.456 131 H HN 0.260 nan 8.280 nan 0.000 0.579 132 A N 4.351 127.114 122.820 -0.096 0.000 1.948 132 A HA -0.247 4.074 4.320 0.001 0.000 0.220 132 A C 1.703 179.371 177.584 0.139 0.000 1.177 132 A CA 1.770 53.809 52.037 0.004 0.000 0.636 132 A CB -0.186 18.767 19.000 -0.077 0.000 0.815 132 A HN 0.736 nan 8.150 nan 0.000 0.449 133 N N -0.570 118.233 118.700 0.173 0.000 2.370 133 N HA 0.056 4.797 4.740 0.001 0.000 0.198 133 N C 1.127 176.359 175.510 -0.462 0.000 1.156 133 N CA 0.643 53.456 53.050 -0.395 0.000 0.839 133 N CB -0.074 37.694 38.487 -1.198 0.000 0.989 133 N HN 0.726 nan 8.380 nan 0.000 0.468 134 E N 0.622 120.823 120.200 0.002 0.000 2.236 134 E HA -0.288 4.062 4.350 0.001 0.000 0.205 134 E C 1.396 178.045 176.600 0.082 0.000 1.028 134 E CA 1.498 57.953 56.400 0.092 0.000 0.827 134 E CB 0.017 29.804 29.700 0.146 0.000 0.735 134 E HN 0.610 nan 8.360 nan 0.000 0.470 135 H N -1.069 117.984 119.070 -0.028 0.000 2.595 135 H HA 0.174 4.730 4.556 0.000 0.000 0.265 135 H C 0.857 176.182 175.328 -0.005 0.000 0.953 135 H CA -0.254 55.789 56.048 -0.009 0.000 1.197 135 H CB -0.426 29.326 29.762 -0.017 0.000 1.438 135 H HN 0.137 nan 8.280 nan 0.000 0.531 136 L N 1.727 122.602 121.223 -0.580 0.000 2.482 136 L HA 0.055 4.395 4.340 0.001 0.000 0.273 136 L C 0.474 177.298 176.870 -0.078 0.000 1.228 136 L CA 0.022 54.639 54.840 -0.372 0.000 0.827 136 L CB 0.500 42.322 42.059 -0.395 0.000 1.099 136 L HN 0.042 nan 8.230 nan 0.000 0.494 137 K N 1.285 121.658 120.400 -0.046 0.000 2.183 137 K HA 0.510 4.830 4.320 0.001 0.000 0.274 137 K C -1.181 175.371 176.600 -0.079 0.000 1.009 137 K CA -0.265 55.988 56.287 -0.056 0.000 0.888 137 K CB 1.516 34.017 32.500 0.003 0.000 1.078 137 K HN 0.270 nan 8.250 nan 0.000 0.459 138 V N 5.997 125.770 119.914 -0.235 0.000 2.668 138 V HA 0.496 4.617 4.120 0.001 0.000 0.304 138 V C -1.725 174.102 176.094 -0.446 0.000 1.071 138 V CA -0.455 61.716 62.300 -0.216 0.000 0.894 138 V CB 0.820 32.550 31.823 -0.155 0.000 1.008 138 V HN 0.767 nan 8.190 nan 0.000 0.425 139 Y N 2.678 122.971 120.300 -0.011 0.000 2.699 139 Y HA 0.519 5.069 4.550 0.001 0.000 0.326 139 Y C 1.433 177.315 175.900 -0.029 0.000 1.141 139 Y CA 0.029 58.121 58.100 -0.013 0.000 1.246 139 Y CB 0.842 39.303 38.460 0.001 0.000 1.426 139 Y HN 0.747 nan 8.280 nan 0.000 0.559 140 E N 0.825 121.123 120.200 0.163 0.000 2.055 140 E HA -0.287 4.063 4.350 0.001 0.000 0.209 140 E C 1.234 177.852 176.600 0.030 0.000 1.036 140 E CA 2.600 59.038 56.400 0.063 0.000 0.849 140 E CB -0.288 29.447 29.700 0.057 0.000 0.767 140 E HN 0.642 nan 8.360 nan 0.000 0.461 141 N N -0.602 118.123 118.700 0.042 0.000 2.354 141 N HA -0.060 4.680 4.740 0.001 0.000 0.179 141 N C 1.771 177.289 175.510 0.015 0.000 1.021 141 N CA 1.094 54.154 53.050 0.017 0.000 0.887 141 N CB -0.063 38.430 38.487 0.010 0.000 0.974 141 N HN 0.117 nan 8.380 nan 0.000 0.437 142 V N 1.239 121.174 119.914 0.035 0.000 2.407 142 V HA -0.153 3.967 4.120 0.001 0.000 0.248 142 V C 2.372 178.446 176.094 -0.033 0.000 1.055 142 V CA 1.782 64.095 62.300 0.022 0.000 1.049 142 V CB -0.921 30.933 31.823 0.052 0.000 0.662 142 V HN 0.266 nan 8.190 nan 0.000 0.455 143 A N -0.762 122.014 122.820 -0.073 0.000 1.929 143 A HA -0.201 4.120 4.320 0.001 0.000 0.216 143 A C 2.197 179.718 177.584 -0.105 0.000 1.176 143 A CA 1.351 53.299 52.037 -0.148 0.000 0.628 143 A CB -0.390 18.509 19.000 -0.168 0.000 0.816 143 A HN 0.601 nan 8.150 nan 0.000 0.444 144 Q N -0.838 118.928 119.800 -0.058 0.000 2.124 144 Q HA -0.196 4.144 4.340 0.001 0.000 0.202 144 Q C 2.264 178.247 176.000 -0.028 0.000 0.977 144 Q CA 1.636 57.415 55.803 -0.039 0.000 0.850 144 Q CB -0.474 28.250 28.738 -0.023 0.000 0.901 144 Q HN 0.765 nan 8.270 nan 0.000 0.429 145 C N 0.366 119.655 119.300 -0.019 0.000 2.446 145 C HA -0.087 4.373 4.460 0.001 0.000 0.277 145 C C 3.081 178.072 174.990 0.001 0.000 1.275 145 C CA 1.145 60.163 59.018 0.000 0.000 1.727 145 C CB -0.951 26.798 27.740 0.015 0.000 2.010 145 C HN 0.641 nan 8.230 nan 0.000 0.486 146 S N 0.556 116.241 115.700 -0.025 0.000 2.481 146 S HA 0.030 4.501 4.470 0.001 0.000 0.231 146 S C 1.619 176.200 174.600 -0.031 0.000 0.996 146 S CA 1.423 59.614 58.200 -0.015 0.000 0.942 146 S CB -0.410 62.717 63.200 -0.122 0.000 0.768 146 S HN 0.633 nan 8.310 nan 0.000 0.520 147 G N -0.516 108.251 108.800 -0.055 0.000 3.044 147 G HA2 0.487 4.448 3.960 0.001 0.000 0.223 147 G HA3 0.487 4.448 3.960 0.001 0.000 0.223 147 G C 0.969 175.858 174.900 -0.018 0.000 1.123 147 G CA 0.029 45.096 45.100 -0.055 0.000 0.765 147 G HN 1.256 nan 8.290 nan 0.000 0.546 148 G N -0.491 108.308 108.800 -0.001 0.000 2.232 148 G HA2 -0.058 3.902 3.960 0.001 0.000 0.226 148 G HA3 -0.058 3.902 3.960 0.001 0.000 0.226 148 G C 1.456 176.363 174.900 0.013 0.000 0.996 148 G CA 0.962 46.071 45.100 0.015 0.000 0.626 148 G HN 1.084 nan 8.290 nan 0.000 0.509 149 A N 0.712 123.532 122.820 -0.001 0.000 1.902 149 A HA 0.454 4.774 4.320 0.001 0.000 0.217 149 A C 2.794 180.378 177.584 0.001 0.000 1.181 149 A CA 2.821 54.856 52.037 -0.004 0.000 0.623 149 A CB -0.819 18.172 19.000 -0.015 0.000 0.818 149 A HN 1.750 nan 8.150 nan 0.000 0.443 150 A N -0.224 122.598 122.820 0.003 0.000 1.898 150 A HA 0.240 4.561 4.320 0.001 0.000 0.216 150 A C 2.461 180.056 177.584 0.018 0.000 1.181 150 A CA 1.798 53.839 52.037 0.006 0.000 0.620 150 A CB -0.929 18.075 19.000 0.007 0.000 0.819 150 A HN 1.037 nan 8.150 nan 0.000 0.442 151 A N -0.304 122.533 122.820 0.028 0.000 2.019 151 A HA -0.041 4.279 4.320 0.001 0.000 0.219 151 A C 2.055 179.672 177.584 0.055 0.000 1.164 151 A CA 2.114 54.176 52.037 0.043 0.000 0.644 151 A CB -0.947 18.082 19.000 0.048 0.000 0.805 151 A HN 0.791 nan 8.150 nan 0.000 0.449 152 T N -3.649 110.934 114.554 0.047 0.000 3.176 152 T HA 0.347 4.698 4.350 0.001 0.000 0.263 152 T C 0.094 174.807 174.700 0.022 0.000 1.021 152 T CA 0.190 62.328 62.100 0.064 0.000 0.905 152 T CB -0.062 68.852 68.868 0.078 0.000 1.057 152 T HN 0.086 nan 8.240 nan 0.000 0.558 153 T N 1.250 115.803 114.554 -0.001 0.000 2.881 153 T HA 0.701 5.052 4.350 0.001 0.000 0.290 153 T C 0.392 175.063 174.700 -0.048 0.000 1.000 153 T CA 0.091 62.164 62.100 -0.044 0.000 0.978 153 T CB 1.452 70.296 68.868 -0.039 0.000 0.997 153 T HN 0.762 nan 8.240 nan 0.000 0.443 154 G N 2.359 111.093 108.800 -0.110 0.000 2.428 154 G HA2 0.021 3.981 3.960 0.001 0.000 0.202 154 G HA3 0.021 3.981 3.960 0.001 0.000 0.202 154 G C -1.393 173.377 174.900 -0.217 0.000 1.247 154 G CA -0.902 44.157 45.100 -0.067 0.000 1.020 154 G HN 0.569 nan 8.290 nan 0.000 0.529 155 F N 0.282 120.119 119.950 -0.189 0.000 2.497 155 F HA 0.576 5.103 4.527 0.001 0.000 0.331 155 F C 1.528 177.184 175.800 -0.241 0.000 1.060 155 F CA 0.266 58.041 58.000 -0.376 0.000 0.989 155 F CB 1.189 39.802 39.000 -0.646 0.000 1.245 155 F HN 0.748 nan 8.300 nan 0.000 0.486 156 W N -0.159 121.305 121.300 0.274 0.000 2.388 156 W HA -0.072 4.589 4.660 0.001 0.000 0.294 156 W C 1.190 177.793 176.519 0.141 0.000 1.212 156 W CA 1.132 58.574 57.345 0.163 0.000 1.271 156 W CB -0.974 28.568 29.460 0.137 0.000 1.126 156 W HN 0.415 nan 8.180 nan 0.000 0.535 157 D N -0.120 120.207 120.400 -0.123 0.000 2.328 157 D HA 0.246 4.886 4.640 0.001 0.000 0.221 157 D C 0.918 177.203 176.300 -0.025 0.000 1.072 157 D CA 0.435 54.443 54.000 0.014 0.000 0.850 157 D CB -0.384 40.431 40.800 0.024 0.000 0.922 157 D HN 0.196 nan 8.370 nan 0.000 0.516 158 G N 0.166 108.952 108.800 -0.023 0.000 3.108 158 G HA2 0.596 4.557 3.960 0.001 0.000 0.268 158 G HA3 0.596 4.557 3.960 0.001 0.000 0.268 158 G C -2.746 172.168 174.900 0.022 0.000 1.361 158 G CA -1.429 43.665 45.100 -0.009 0.000 1.047 158 G HN -0.043 nan 8.290 nan 0.000 0.540 159 P HA 0.318 nan 4.420 nan 0.000 0.274 159 P C -2.700 174.616 177.300 0.027 0.000 1.256 159 P CA -1.315 61.798 63.100 0.022 0.000 0.795 159 P CB 0.320 32.026 31.700 0.011 0.000 1.038 160 P HA 0.079 nan 4.420 nan 0.000 0.265 160 P C -0.469 176.839 177.300 0.013 0.000 1.193 160 P CA 0.658 63.772 63.100 0.023 0.000 0.765 160 P CB -0.037 31.678 31.700 0.025 0.000 0.823 161 T N 2.143 116.701 114.554 0.006 0.000 2.824 161 T HA 0.283 4.633 4.350 0.001 0.000 0.282 161 T C -0.015 174.679 174.700 -0.010 0.000 0.993 161 T CA -0.544 61.555 62.100 -0.002 0.000 0.967 161 T CB 1.302 70.169 68.868 -0.000 0.000 0.960 161 T HN 0.034 nan 8.240 nan 0.000 0.441 162 V N 3.033 122.939 119.914 -0.013 0.000 2.614 162 V HA 0.305 4.425 4.120 0.001 0.000 0.291 162 V C 0.760 176.839 176.094 -0.025 0.000 1.049 162 V CA -0.124 62.166 62.300 -0.017 0.000 1.038 162 V CB 1.684 33.497 31.823 -0.017 0.000 0.980 162 V HN 0.988 nan 8.190 nan 0.000 0.481 163 S N 3.971 119.655 115.700 -0.027 0.000 2.528 163 S HA 0.306 4.776 4.470 0.001 0.000 0.277 163 S C 1.428 176.011 174.600 -0.030 0.000 1.297 163 S CA -0.012 58.168 58.200 -0.034 0.000 1.052 163 S CB 1.246 64.426 63.200 -0.034 0.000 0.917 163 S HN 0.998 nan 8.310 nan 0.000 0.492 164 G N 3.981 112.761 108.800 -0.034 0.000 2.469 164 G HA2 -0.005 3.955 3.960 0.001 0.000 0.219 164 G HA3 -0.005 3.955 3.960 0.001 0.000 0.219 164 G C 0.713 175.599 174.900 -0.023 0.000 1.150 164 G CA 0.694 45.775 45.100 -0.031 0.000 0.763 164 G HN 1.126 nan 8.290 nan 0.000 0.561 165 A N -0.023 122.784 122.820 -0.022 0.000 2.425 165 A HA 0.598 4.918 4.320 0.001 0.000 0.242 165 A C 0.767 178.352 177.584 0.002 0.000 1.077 165 A CA 0.464 52.495 52.037 -0.010 0.000 0.781 165 A CB 0.384 19.373 19.000 -0.018 0.000 1.020 165 A HN 1.162 nan 8.150 nan 0.000 0.494 166 A N 2.102 124.935 122.820 0.022 0.000 3.016 166 A HA 0.479 4.800 4.320 0.001 0.000 0.303 166 A C 0.807 178.411 177.584 0.032 0.000 1.507 166 A CA -0.447 51.611 52.037 0.035 0.000 1.196 166 A CB -0.689 18.354 19.000 0.071 0.000 1.169 166 A HN 0.818 nan 8.150 nan 0.000 0.544 167 L N 0.735 121.966 121.223 0.013 0.000 2.362 167 L HA -0.086 4.254 4.340 0.001 0.000 0.219 167 L C 2.198 179.068 176.870 0.000 0.000 1.134 167 L CA 1.483 56.328 54.840 0.008 0.000 0.807 167 L CB -0.005 42.049 42.059 -0.009 0.000 0.927 167 L HN 0.717 nan 8.230 nan 0.000 0.447 168 G N -1.674 107.124 108.800 -0.003 0.000 2.768 168 G HA2 -0.049 3.912 3.960 0.001 0.000 0.201 168 G HA3 -0.049 3.912 3.960 0.001 0.000 0.201 168 G C 0.837 175.730 174.900 -0.013 0.000 1.089 168 G CA -0.036 45.047 45.100 -0.028 0.000 0.787 168 G HN 0.151 nan 8.290 nan 0.000 0.547 169 D N 0.880 121.291 120.400 0.017 0.000 2.297 169 D HA 0.073 4.714 4.640 0.001 0.000 0.233 169 D C 2.667 179.003 176.300 0.060 0.000 1.056 169 D CA 0.953 54.968 54.000 0.026 0.000 0.938 169 D CB -0.463 40.356 40.800 0.032 0.000 1.048 169 D HN 0.067 nan 8.370 nan 0.000 0.442 170 S N 0.567 116.330 115.700 0.106 0.000 2.400 170 S HA -0.181 4.290 4.470 0.001 0.000 0.232 170 S C 1.628 176.294 174.600 0.109 0.000 1.025 170 S CA 1.229 59.517 58.200 0.146 0.000 0.993 170 S CB -0.321 62.996 63.200 0.194 0.000 0.808 170 S HN 0.246 nan 8.310 nan 0.000 0.478 171 N N 1.070 119.830 118.700 0.100 0.000 2.270 171 N HA -0.008 4.732 4.740 0.001 0.000 0.181 171 N C 1.598 177.243 175.510 0.226 0.000 1.016 171 N CA 1.514 54.651 53.050 0.144 0.000 0.870 171 N CB -0.283 38.278 38.487 0.124 0.000 0.979 171 N HN 0.148 nan 8.380 nan 0.000 0.431 172 S N -0.788 114.980 115.700 0.113 0.000 2.368 172 S HA 0.008 4.479 4.470 0.001 0.000 0.224 172 S C 1.938 176.598 174.600 0.099 0.000 1.029 172 S CA 1.064 59.309 58.200 0.074 0.000 0.988 172 S CB -0.981 62.212 63.200 -0.012 0.000 0.838 172 S HN 0.622 nan 8.310 nan 0.000 0.462 173 G N 2.025 110.874 108.800 0.081 0.000 2.476 173 G HA2 -0.223 3.737 3.960 0.001 0.000 0.218 173 G HA3 -0.223 3.737 3.960 0.001 0.000 0.218 173 G C 1.321 176.267 174.900 0.077 0.000 1.164 173 G CA 1.091 46.234 45.100 0.071 0.000 0.768 173 G HN 0.326 nan 8.290 nan 0.000 0.560 174 M N -0.213 119.439 119.600 0.087 0.000 2.288 174 M HA 0.099 4.579 4.480 0.001 0.000 0.266 174 M C 2.115 178.423 176.300 0.013 0.000 1.072 174 M CA 0.913 56.244 55.300 0.052 0.000 1.132 174 M CB -1.211 31.408 32.600 0.031 0.000 1.386 174 M HN 0.319 nan 8.290 nan 0.000 0.432 175 H N 0.013 119.099 119.070 0.025 0.000 2.353 175 H HA -0.118 4.438 4.556 0.000 0.000 0.300 175 H C 1.882 177.212 175.328 0.003 0.000 1.090 175 H CA 1.547 57.602 56.048 0.011 0.000 1.327 175 H CB -0.155 29.606 29.762 -0.002 0.000 1.383 175 H HN 0.126 nan 8.280 nan 0.000 0.508 176 L N 0.333 121.629 121.223 0.121 0.000 2.079 176 L HA -0.178 4.162 4.340 0.001 0.000 0.210 176 L C 2.240 179.129 176.870 0.031 0.000 1.081 176 L CA 1.649 56.521 54.840 0.055 0.000 0.752 176 L CB -0.530 41.547 42.059 0.030 0.000 0.896 176 L HN 0.372 nan 8.230 nan 0.000 0.433 177 M N -1.734 117.884 119.600 0.029 0.000 2.394 177 M HA -0.137 4.344 4.480 0.001 0.000 0.264 177 M C 1.962 178.258 176.300 -0.006 0.000 1.073 177 M CA 1.392 56.698 55.300 0.009 0.000 1.111 177 M CB -0.054 32.558 32.600 0.019 0.000 1.401 177 M HN 0.302 nan 8.290 nan 0.000 0.448 178 I N -0.258 120.311 120.570 -0.002 0.000 2.286 178 I HA -0.136 4.034 4.170 0.001 0.000 0.245 178 I C 2.495 178.613 176.117 0.002 0.000 1.104 178 I CA 1.241 62.536 61.300 -0.009 0.000 1.397 178 I CB -0.992 37.001 38.000 -0.011 0.000 1.072 178 I HN 0.430 nan 8.210 nan 0.000 0.417 179 G N 1.424 110.232 108.800 0.013 0.000 2.421 179 G HA2 -0.187 3.774 3.960 0.001 0.000 0.216 179 G HA3 -0.187 3.774 3.960 0.001 0.000 0.216 179 G C 1.708 176.604 174.900 -0.007 0.000 1.171 179 G CA 0.539 45.642 45.100 0.005 0.000 0.775 179 G HN 0.268 nan 8.290 nan 0.000 0.543 180 I N 0.459 121.024 120.570 -0.009 0.000 2.163 180 I HA -0.181 3.989 4.170 0.001 0.000 0.243 180 I C 2.728 178.836 176.117 -0.014 0.000 1.085 180 I CA 0.929 62.221 61.300 -0.013 0.000 1.347 180 I CB -0.234 37.758 38.000 -0.012 0.000 1.044 180 I HN 0.136 nan 8.210 nan 0.000 0.408 181 L N 0.281 121.495 121.223 -0.015 0.000 2.093 181 L HA -0.150 4.190 4.340 0.001 0.000 0.208 181 L C 2.843 179.713 176.870 -0.000 0.000 1.085 181 L CA 1.061 55.893 54.840 -0.014 0.000 0.755 181 L CB -0.744 41.300 42.059 -0.025 0.000 0.904 181 L HN 0.229 nan 8.230 nan 0.000 0.435 182 A N 0.373 123.194 122.820 0.000 0.000 1.877 182 A HA -0.185 4.135 4.320 0.001 0.000 0.216 182 A C 2.573 180.162 177.584 0.008 0.000 1.186 182 A CA 1.804 53.846 52.037 0.008 0.000 0.620 182 A CB -0.734 18.270 19.000 0.007 0.000 0.822 182 A HN 0.382 nan 8.150 nan 0.000 0.443 183 A N -0.325 122.493 122.820 -0.002 0.000 1.908 183 A HA -0.072 4.248 4.320 0.001 0.000 0.218 183 A C 2.164 179.738 177.584 -0.017 0.000 1.181 183 A CA 1.555 53.589 52.037 -0.005 0.000 0.627 183 A CB -0.653 18.341 19.000 -0.011 0.000 0.818 183 A HN 0.479 nan 8.150 nan 0.000 0.445 184 L N -0.929 120.278 121.223 -0.027 0.000 2.131 184 L HA -0.199 4.142 4.340 0.001 0.000 0.210 184 L C 2.613 179.452 176.870 -0.052 0.000 1.092 184 L CA 1.657 56.455 54.840 -0.071 0.000 0.759 184 L CB -0.362 41.668 42.059 -0.049 0.000 0.903 184 L HN 0.451 nan 8.230 nan 0.000 0.435 185 E N 0.563 120.792 120.200 0.049 0.000 2.150 185 E HA -0.201 4.149 4.350 0.001 0.000 0.193 185 E C 2.057 178.720 176.600 0.105 0.000 0.985 185 E CA 1.127 57.611 56.400 0.140 0.000 0.814 185 E CB -0.114 29.638 29.700 0.088 0.000 0.752 185 E HN 0.450 nan 8.360 nan 0.000 0.466 186 I N -0.230 120.364 120.570 0.041 0.000 2.617 186 I HA -0.111 4.059 4.170 0.001 0.000 0.256 186 I C 2.408 178.536 176.117 0.019 0.000 1.167 186 I CA 0.502 61.824 61.300 0.036 0.000 1.469 186 I CB -0.022 37.994 38.000 0.026 0.000 1.098 186 I HN 0.062 nan 8.210 nan 0.000 0.436 187 R N -0.185 120.295 120.500 -0.035 0.000 2.120 187 R HA -0.220 4.120 4.340 0.001 0.000 0.234 187 R C 2.043 178.287 176.300 -0.094 0.000 1.123 187 R CA 1.642 57.694 56.100 -0.080 0.000 0.975 187 R CB -0.332 29.881 30.300 -0.145 0.000 0.866 187 R HN 0.466 nan 8.270 nan 0.000 0.446 188 H N -0.472 118.603 119.070 0.007 0.000 2.422 188 H HA -0.065 4.491 4.556 0.001 0.000 0.298 188 H C 1.698 177.029 175.328 0.005 0.000 1.098 188 H CA 1.808 57.858 56.048 0.003 0.000 1.315 188 H CB 0.251 30.012 29.762 -0.001 0.000 1.382 188 H HN 0.154 nan 8.280 nan 0.000 0.523 189 K N -0.566 119.904 120.400 0.117 0.000 2.262 189 K HA -0.007 4.313 4.320 0.001 0.000 0.200 189 K C 1.727 178.354 176.600 0.044 0.000 1.049 189 K CA 1.415 57.744 56.287 0.070 0.000 0.979 189 K CB 0.552 33.086 32.500 0.056 0.000 0.773 189 K HN 0.380 nan 8.250 nan 0.000 0.474 190 T N -4.342 110.232 114.554 0.033 0.000 2.971 190 T HA 0.190 4.540 4.350 0.001 0.000 0.252 190 T C 1.449 176.160 174.700 0.017 0.000 1.022 190 T CA 0.443 62.559 62.100 0.025 0.000 0.980 190 T CB 0.771 69.656 68.868 0.028 0.000 1.044 190 T HN 0.225 nan 8.240 nan 0.000 0.501 191 G N 2.116 110.921 108.800 0.008 0.000 2.189 191 G HA2 -0.233 3.727 3.960 0.001 0.000 0.267 191 G HA3 -0.233 3.727 3.960 0.001 0.000 0.267 191 G C 0.100 174.999 174.900 -0.003 0.000 0.975 191 G CA 0.067 45.166 45.100 -0.002 0.000 0.644 191 G HN 0.657 nan 8.290 nan 0.000 0.537 192 R N 0.224 120.730 120.500 0.010 0.000 2.711 192 R HA 0.658 4.998 4.340 0.001 0.000 0.284 192 R C 0.684 177.017 176.300 0.054 0.000 0.968 192 R CA -0.159 55.959 56.100 0.030 0.000 0.924 192 R CB 1.095 31.423 30.300 0.047 0.000 1.162 192 R HN 0.368 nan 8.270 nan 0.000 0.465 193 G N 0.569 109.426 108.800 0.096 0.000 2.572 193 G HA2 0.351 4.311 3.960 0.001 0.000 0.261 193 G HA3 0.351 4.311 3.960 0.001 0.000 0.261 193 G C -0.547 174.534 174.900 0.301 0.000 1.197 193 G CA -0.227 44.980 45.100 0.178 0.000 0.870 193 G HN 0.374 nan 8.290 nan 0.000 0.548 194 Q N -0.877 119.064 119.800 0.236 0.000 2.528 194 Q HA 0.372 4.712 4.340 0.001 0.000 0.289 194 Q C -0.768 175.051 176.000 -0.302 0.000 1.091 194 Q CA -0.912 54.957 55.803 0.110 0.000 0.797 194 Q CB 2.710 31.458 28.738 0.017 0.000 1.466 194 Q HN 0.496 nan 8.270 nan 0.000 0.436 195 K N 0.708 120.664 120.400 -0.739 0.000 2.143 195 K HA 0.551 4.872 4.320 0.001 0.000 0.272 195 K C -1.432 174.938 176.600 -0.383 0.000 1.001 195 K CA -0.369 55.403 56.287 -0.859 0.000 0.915 195 K CB 1.338 33.161 32.500 -1.129 0.000 1.047 195 K HN 0.337 nan 8.250 nan 0.000 0.458 196 V N 2.400 122.154 119.914 -0.266 0.000 2.851 196 V HA 0.790 4.911 4.120 0.001 0.000 0.307 196 V C -1.854 174.172 176.094 -0.114 0.000 1.129 196 V CA -0.343 61.868 62.300 -0.149 0.000 0.932 196 V CB 1.791 33.559 31.823 -0.093 0.000 1.024 196 V HN 0.921 nan 8.190 nan 0.000 0.426 197 A N 5.442 128.212 122.820 -0.084 0.000 2.422 197 A HA 0.910 5.230 4.320 0.001 0.000 0.302 197 A C -1.499 176.059 177.584 -0.043 0.000 1.041 197 A CA -0.534 51.465 52.037 -0.062 0.000 0.708 197 A CB 2.158 21.120 19.000 -0.064 0.000 1.257 197 A HN 1.135 nan 8.150 nan 0.000 0.414 198 V N 1.084 120.975 119.914 -0.039 0.000 2.628 198 V HA 0.778 4.898 4.120 0.001 0.000 0.306 198 V C 0.400 176.453 176.094 -0.069 0.000 1.045 198 V CA -0.266 62.006 62.300 -0.047 0.000 0.905 198 V CB 1.772 33.581 31.823 -0.024 0.000 0.997 198 V HN 1.346 nan 8.190 nan 0.000 0.436 199 A N 4.059 126.820 122.820 -0.098 0.000 2.317 199 A HA 0.670 4.990 4.320 0.001 0.000 0.327 199 A C 0.743 178.213 177.584 -0.190 0.000 1.178 199 A CA -0.614 51.342 52.037 -0.135 0.000 0.817 199 A CB 1.108 20.032 19.000 -0.128 0.000 1.189 199 A HN 0.885 nan 8.150 nan 0.000 0.489 200 M N 0.769 120.239 119.600 -0.217 0.000 2.108 200 M HA -0.235 4.245 4.480 0.001 0.000 0.261 200 M C 2.269 178.410 176.300 -0.264 0.000 1.066 200 M CA 2.209 57.378 55.300 -0.219 0.000 1.107 200 M CB -0.256 32.217 32.600 -0.212 0.000 1.356 200 M HN 0.988 nan 8.290 nan 0.000 0.406 201 Q N 0.723 120.296 119.800 -0.378 0.000 2.096 201 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 201 Q C 1.170 177.041 176.000 -0.216 0.000 0.982 201 Q CA 2.020 57.612 55.803 -0.351 0.000 0.850 201 Q CB 0.005 28.436 28.738 -0.511 0.000 0.901 201 Q HN 0.456 nan 8.270 nan 0.000 0.422 202 D N 0.180 120.460 120.400 -0.200 0.000 2.149 202 D HA -0.076 4.564 4.640 0.001 0.000 0.201 202 D C 1.724 177.886 176.300 -0.230 0.000 0.972 202 D CA 1.249 55.154 54.000 -0.158 0.000 0.835 202 D CB -0.303 40.421 40.800 -0.127 0.000 0.966 202 D HN 0.419 nan 8.370 nan 0.000 0.476 203 A N 0.634 123.266 122.820 -0.314 0.000 1.877 203 A HA -0.142 4.178 4.320 0.001 0.000 0.216 203 A C 2.481 179.902 177.584 -0.272 0.000 1.186 203 A CA 1.260 52.992 52.037 -0.508 0.000 0.620 203 A CB -0.824 17.934 19.000 -0.403 0.000 0.822 203 A HN 0.134 nan 8.150 nan 0.000 0.443 204 V N -0.375 119.438 119.914 -0.167 0.000 2.255 204 V HA -0.268 3.852 4.120 0.001 0.000 0.247 204 V C 2.511 178.563 176.094 -0.071 0.000 1.051 204 V CA 2.100 64.343 62.300 -0.094 0.000 1.018 204 V CB -0.836 30.932 31.823 -0.092 0.000 0.641 204 V HN 0.563 nan 8.190 nan 0.000 0.445 205 L N 0.665 121.838 121.223 -0.084 0.000 2.042 205 L HA -0.210 4.130 4.340 0.001 0.000 0.210 205 L C 2.265 179.116 176.870 -0.032 0.000 1.076 205 L CA 2.288 57.099 54.840 -0.047 0.000 0.749 205 L CB -0.814 41.220 42.059 -0.042 0.000 0.893 205 L HN 0.418 nan 8.230 nan 0.000 0.432 206 N N -0.580 118.086 118.700 -0.056 0.000 2.149 206 N HA -0.210 4.531 4.740 0.001 0.000 0.188 206 N C 1.734 177.264 175.510 0.032 0.000 1.019 206 N CA 1.682 54.728 53.050 -0.007 0.000 0.857 206 N CB -0.241 38.243 38.487 -0.004 0.000 0.997 206 N HN 0.417 nan 8.380 nan 0.000 0.426 207 L N -0.183 121.057 121.223 0.030 0.000 2.217 207 L HA -0.005 4.335 4.340 0.001 0.000 0.211 207 L C 1.538 178.417 176.870 0.015 0.000 1.107 207 L CA 0.603 55.465 54.840 0.036 0.000 0.783 207 L CB -0.297 41.788 42.059 0.043 0.000 0.919 207 L HN 0.158 nan 8.230 nan 0.000 0.442 208 V N -2.948 116.970 119.914 0.007 0.000 3.415 208 V HA 0.066 4.186 4.120 0.001 0.000 0.325 208 V C 2.103 178.209 176.094 0.019 0.000 1.313 208 V CA 0.090 62.397 62.300 0.012 0.000 1.228 208 V CB -0.572 31.258 31.823 0.011 0.000 1.131 208 V HN 0.378 nan 8.190 nan 0.000 0.433 209 R N 0.317 120.828 120.500 0.019 0.000 2.117 209 R HA -0.120 4.220 4.340 0.001 0.000 0.243 209 R C 2.075 178.391 176.300 0.026 0.000 1.143 209 R CA 2.164 58.277 56.100 0.021 0.000 0.968 209 R CB -0.204 30.109 30.300 0.021 0.000 0.863 209 R HN 0.584 nan 8.270 nan 0.000 0.444 210 I N 0.953 121.539 120.570 0.027 0.000 2.454 210 I HA -0.238 3.933 4.170 0.001 0.000 0.254 210 I C 1.247 177.398 176.117 0.057 0.000 1.156 210 I CA 1.282 62.604 61.300 0.036 0.000 1.433 210 I CB -0.077 37.940 38.000 0.029 0.000 1.082 210 I HN 0.166 nan 8.210 nan 0.000 0.432 211 K N 0.032 120.467 120.400 0.059 0.000 2.296 211 K HA -0.062 4.258 4.320 0.001 0.000 0.200 211 K C 1.728 178.363 176.600 0.058 0.000 1.048 211 K CA 0.641 56.975 56.287 0.078 0.000 0.966 211 K CB -0.542 32.005 32.500 0.078 0.000 0.754 211 K HN 0.235 nan 8.250 nan 0.000 0.466 212 L N 1.278 122.525 121.223 0.041 0.000 2.240 212 L HA 0.063 4.403 4.340 0.001 0.000 0.211 212 L C 2.341 179.226 176.870 0.025 0.000 1.106 212 L CA 1.220 56.079 54.840 0.031 0.000 0.793 212 L CB -0.343 41.732 42.059 0.026 0.000 0.927 212 L HN 0.056 nan 8.230 nan 0.000 0.446 213 R N -0.200 120.317 120.500 0.028 0.000 2.097 213 R HA -0.219 4.122 4.340 0.001 0.000 0.236 213 R C 1.774 178.084 176.300 0.017 0.000 1.135 213 R CA 2.353 58.466 56.100 0.022 0.000 0.934 213 R CB -0.527 29.789 30.300 0.027 0.000 0.846 213 R HN 0.344 nan 8.270 nan 0.000 0.431 214 D N 0.018 120.438 120.400 0.032 0.000 2.149 214 D HA -0.193 4.448 4.640 0.001 0.000 0.198 214 D C 1.952 178.242 176.300 -0.016 0.000 0.990 214 D CA 1.269 55.275 54.000 0.010 0.000 0.839 214 D CB -0.353 40.485 40.800 0.062 0.000 0.948 214 D HN 0.303 nan 8.370 nan 0.000 0.460 215 Q N 0.714 120.520 119.800 0.010 0.000 2.124 215 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 215 Q C 1.956 177.955 176.000 -0.001 0.000 0.977 215 Q CA 1.532 57.340 55.803 0.009 0.000 0.850 215 Q CB -0.109 28.642 28.738 0.023 0.000 0.901 215 Q HN 0.358 nan 8.270 nan 0.000 0.429 216 Q N -0.752 119.047 119.800 -0.001 0.000 2.083 216 Q HA -0.049 4.292 4.340 0.001 0.000 0.198 216 Q C 2.210 178.198 176.000 -0.019 0.000 0.969 216 Q CA 1.057 56.857 55.803 -0.005 0.000 0.838 216 Q CB -0.055 28.683 28.738 -0.001 0.000 0.900 216 Q HN 0.294 nan 8.270 nan 0.000 0.436 217 R N 0.323 120.807 120.500 -0.028 0.000 2.113 217 R HA -0.207 4.133 4.340 0.001 0.000 0.244 217 R C 2.268 178.526 176.300 -0.069 0.000 1.142 217 R CA 1.424 57.495 56.100 -0.049 0.000 0.953 217 R CB -0.505 29.758 30.300 -0.061 0.000 0.860 217 R HN 0.169 nan 8.270 nan 0.000 0.438 218 L N 1.506 122.686 121.223 -0.072 0.000 2.046 218 L HA -0.149 4.191 4.340 0.001 0.000 0.208 218 L C 1.715 178.568 176.870 -0.028 0.000 1.077 218 L CA 1.821 56.622 54.840 -0.065 0.000 0.747 218 L CB -0.420 41.624 42.059 -0.025 0.000 0.896 218 L HN 0.148 nan 8.230 nan 0.000 0.432 219 E N -0.839 119.352 120.200 -0.016 0.000 2.110 219 E HA -0.207 4.143 4.350 0.001 0.000 0.193 219 E C 2.216 178.808 176.600 -0.013 0.000 0.988 219 E CA 1.269 57.665 56.400 -0.006 0.000 0.804 219 E CB -0.027 29.673 29.700 -0.000 0.000 0.745 219 E HN 0.507 nan 8.360 nan 0.000 0.458 220 R N -0.365 120.123 120.500 -0.021 0.000 2.140 220 R HA -0.002 4.338 4.340 0.001 0.000 0.213 220 R C 2.226 178.509 176.300 -0.029 0.000 1.059 220 R CA 1.594 57.681 56.100 -0.021 0.000 1.000 220 R CB 0.148 30.435 30.300 -0.021 0.000 0.910 220 R HN 0.184 nan 8.270 nan 0.000 0.455 221 T N -4.546 109.981 114.554 -0.044 0.000 2.975 221 T HA 0.241 4.592 4.350 0.001 0.000 0.257 221 T C 1.434 176.097 174.700 -0.063 0.000 1.003 221 T CA 0.419 62.485 62.100 -0.057 0.000 0.932 221 T CB 1.123 69.946 68.868 -0.074 0.000 1.087 221 T HN 0.298 nan 8.240 nan 0.000 0.512 222 G N 1.335 110.103 108.800 -0.053 0.000 2.184 222 G HA2 -0.222 3.738 3.960 0.001 0.000 0.264 222 G HA3 -0.222 3.738 3.960 0.001 0.000 0.264 222 G C -0.062 174.801 174.900 -0.060 0.000 0.975 222 G CA 0.517 45.601 45.100 -0.026 0.000 0.642 222 G HN 0.812 nan 8.290 nan 0.000 0.536 223 I N -0.596 119.849 120.570 -0.208 0.000 3.006 223 I HA 0.636 4.806 4.170 0.001 0.000 0.306 223 I C -1.040 174.657 176.117 -0.699 0.000 1.250 223 I CA -1.410 59.589 61.300 -0.503 0.000 0.996 223 I CB 1.883 39.688 38.000 -0.326 0.000 1.261 223 I HN -0.050 nan 8.210 nan 0.000 0.442 224 L N 6.722 127.184 121.223 -1.268 0.000 2.470 224 L HA 0.426 4.766 4.340 0.001 0.000 0.253 224 L C 1.046 177.641 176.870 -0.457 0.000 1.163 224 L CA -0.326 54.045 54.840 -0.782 0.000 0.932 224 L CB 1.406 42.905 42.059 -0.934 0.000 1.213 224 L HN 0.818 nan 8.230 nan 0.000 0.485 225 A N 1.603 124.286 122.820 -0.229 0.000 1.971 225 A HA -0.217 4.103 4.320 0.001 0.000 0.222 225 A C 2.069 179.695 177.584 0.071 0.000 1.182 225 A CA 2.259 54.238 52.037 -0.097 0.000 0.649 225 A CB -0.180 18.771 19.000 -0.082 0.000 0.818 225 A HN 0.794 nan 8.150 nan 0.000 0.458 226 E N -1.445 118.906 120.200 0.251 0.000 2.489 226 E HA -0.037 4.314 4.350 0.001 0.000 0.193 226 E C -0.548 176.268 176.600 0.359 0.000 1.057 226 E CA -0.216 56.419 56.400 0.391 0.000 0.866 226 E CB -0.274 29.678 29.700 0.422 0.000 0.916 226 E HN 0.535 nan 8.360 nan 0.000 0.500 227 Y N 1.310 121.700 120.300 0.149 0.000 2.304 227 Y HA 0.221 4.771 4.550 0.000 0.000 0.327 227 Y C -1.303 174.693 175.900 0.159 0.000 1.209 227 Y CA -2.463 55.772 58.100 0.224 0.000 1.299 227 Y CB 0.801 39.499 38.460 0.396 0.000 1.249 227 Y HN -0.117 nan 8.280 nan 0.000 0.519 228 P HA -0.185 nan 4.420 nan 0.000 0.216 228 P C 0.828 178.109 177.300 -0.032 0.000 1.150 228 P CA 1.617 64.685 63.100 -0.052 0.000 0.837 228 P CB 0.318 31.944 31.700 -0.123 0.000 0.786 229 Q N -0.582 119.220 119.800 0.003 0.000 2.364 229 Q HA -0.031 4.309 4.340 0.001 0.000 0.209 229 Q C 1.957 178.010 176.000 0.088 0.000 0.977 229 Q CA 1.494 57.229 55.803 -0.114 0.000 0.885 229 Q CB -0.968 27.558 28.738 -0.353 0.000 0.941 229 Q HN 0.219 nan 8.270 nan 0.000 0.464 230 A N 0.073 123.077 122.820 0.307 0.000 2.251 230 A HA -0.009 4.312 4.320 0.001 0.000 0.209 230 A C 0.611 178.213 177.584 0.030 0.000 1.187 230 A CA -0.157 52.013 52.037 0.222 0.000 0.823 230 A CB -0.002 19.087 19.000 0.148 0.000 0.846 230 A HN 0.274 nan 8.150 nan 0.000 0.486 231 Q N 1.315 121.106 119.800 -0.015 0.000 2.360 231 Q HA 0.324 4.664 4.340 0.001 0.000 0.254 231 Q C -2.722 173.248 176.000 -0.050 0.000 0.975 231 Q CA -2.471 53.288 55.803 -0.072 0.000 0.912 231 Q CB 0.935 29.589 28.738 -0.140 0.000 1.212 231 Q HN 0.086 nan 8.270 nan 0.000 0.452 232 P HA -0.068 nan 4.420 nan 0.000 0.261 232 P C -1.103 176.166 177.300 -0.051 0.000 1.183 232 P CA 0.649 63.715 63.100 -0.057 0.000 0.761 232 P CB 0.211 31.882 31.700 -0.050 0.000 0.785 233 N N 0.663 119.292 118.700 -0.119 0.000 2.738 233 N HA -0.267 4.473 4.740 0.001 0.000 0.249 233 N C -0.045 175.382 175.510 -0.139 0.000 1.047 233 N CA 0.240 53.202 53.050 -0.146 0.000 0.707 233 N CB -1.648 36.880 38.487 0.069 0.000 0.937 233 N HN 0.444 nan 8.380 nan 0.000 0.545 234 F N -0.054 119.654 119.950 -0.405 0.000 2.553 234 F HA 0.505 5.032 4.527 0.001 0.000 0.282 234 F C 0.829 176.333 175.800 -0.494 0.000 1.089 234 F CA 0.586 58.404 58.000 -0.303 0.000 1.411 234 F CB 0.409 39.260 39.000 -0.249 0.000 1.125 234 F HN 0.103 nan 8.300 nan 0.000 0.610 235 A N 0.707 122.925 122.820 -1.004 0.000 2.304 235 A HA 0.615 4.936 4.320 0.001 0.000 0.323 235 A C -1.658 175.312 177.584 -1.025 0.000 1.195 235 A CA -0.267 51.139 52.037 -1.052 0.000 0.826 235 A CB -0.046 18.307 19.000 -1.079 0.000 1.184 235 A HN 0.223 nan 8.150 nan 0.000 0.496 236 F N 1.831 121.742 119.950 -0.065 0.000 2.540 236 F HA 0.347 4.875 4.527 0.001 0.000 0.317 236 F C 0.455 176.363 175.800 0.181 0.000 1.104 236 F CA -0.883 57.139 58.000 0.036 0.000 0.913 236 F CB 1.767 40.770 39.000 0.005 0.000 1.170 236 F HN 0.735 nan 8.300 nan 0.000 0.450 237 D N 2.160 122.730 120.400 0.284 0.000 2.352 237 D HA -0.005 4.635 4.640 0.001 0.000 0.238 237 D C 1.290 177.702 176.300 0.186 0.000 1.286 237 D CA -0.445 53.692 54.000 0.227 0.000 0.923 237 D CB 0.539 41.426 40.800 0.146 0.000 1.146 237 D HN 0.773 nan 8.370 nan 0.000 0.471 238 R N -0.087 120.487 120.500 0.123 0.000 2.159 238 R HA -0.163 4.177 4.340 0.001 0.000 0.237 238 R C -0.057 176.278 176.300 0.058 0.000 1.131 238 R CA 1.248 57.394 56.100 0.077 0.000 0.982 238 R CB -0.484 29.844 30.300 0.046 0.000 0.868 238 R HN 0.273 nan 8.270 nan 0.000 0.453 239 D N 0.372 120.810 120.400 0.064 0.000 2.324 239 D HA 0.118 4.758 4.640 0.001 0.000 0.235 239 D C 1.028 177.350 176.300 0.037 0.000 1.095 239 D CA 0.921 54.946 54.000 0.043 0.000 0.871 239 D CB 0.488 41.315 40.800 0.044 0.000 0.906 239 D HN 0.551 nan 8.370 nan 0.000 0.522 240 G N 0.687 109.517 108.800 0.050 0.000 2.189 240 G HA2 -0.306 3.655 3.960 0.001 0.000 0.267 240 G HA3 -0.306 3.655 3.960 0.001 0.000 0.267 240 G C 0.349 175.302 174.900 0.089 0.000 0.975 240 G CA -0.257 44.834 45.100 -0.016 0.000 0.644 240 G HN 0.312 nan 8.290 nan 0.000 0.537 241 N N 1.911 120.713 118.700 0.171 0.000 2.520 241 N HA 0.331 5.072 4.740 0.001 0.000 0.273 241 N C -2.139 173.570 175.510 0.331 0.000 1.155 241 N CA -0.759 52.414 53.050 0.205 0.000 0.967 241 N CB 1.465 40.021 38.487 0.115 0.000 1.092 241 N HN 0.213 nan 8.380 nan 0.000 0.457 242 P HA 0.216 nan 4.420 nan 0.000 0.274 242 P C -0.611 176.623 177.300 -0.110 0.000 1.246 242 P CA -0.144 62.957 63.100 0.002 0.000 0.795 242 P CB 1.210 32.919 31.700 0.016 0.000 1.006 243 L N 0.970 122.026 121.223 -0.279 0.000 2.386 243 L HA 0.520 4.860 4.340 0.001 0.000 0.271 243 L C 0.371 177.100 176.870 -0.234 0.000 0.993 243 L CA -0.320 54.384 54.840 -0.227 0.000 0.819 243 L CB 2.091 43.989 42.059 -0.267 0.000 1.294 243 L HN 0.595 nan 8.230 nan 0.000 0.414 244 S N 0.773 116.363 115.700 -0.184 0.000 2.671 244 S HA 0.494 4.964 4.470 0.001 0.000 0.277 244 S C -0.087 174.403 174.600 -0.183 0.000 1.165 244 S CA -0.678 57.441 58.200 -0.135 0.000 0.822 244 S CB 1.015 64.190 63.200 -0.040 0.000 1.150 244 S HN 0.366 nan 8.310 nan 0.000 0.479 245 F N 1.523 121.439 119.950 -0.056 0.000 2.816 245 F HA 0.146 4.673 4.527 0.001 0.000 0.302 245 F C 1.508 177.284 175.800 -0.041 0.000 1.178 245 F CA 0.151 58.120 58.000 -0.051 0.000 1.421 245 F CB -0.295 38.666 39.000 -0.064 0.000 1.114 245 F HN 0.543 nan 8.300 nan 0.000 0.573 246 D N -0.056 120.388 120.400 0.074 0.000 2.144 246 D HA -0.176 4.464 4.640 0.001 0.000 0.199 246 D C 1.720 178.030 176.300 0.018 0.000 0.984 246 D CA 1.198 55.220 54.000 0.037 0.000 0.834 246 D CB -0.186 40.622 40.800 0.013 0.000 0.955 246 D HN 0.326 nan 8.370 nan 0.000 0.465 247 N N -0.117 118.574 118.700 -0.015 0.000 2.299 247 N HA 0.094 4.834 4.740 0.001 0.000 0.187 247 N C 0.083 175.578 175.510 -0.025 0.000 1.099 247 N CA 0.030 53.067 53.050 -0.022 0.000 0.867 247 N CB 1.408 39.872 38.487 -0.039 0.000 0.974 247 N HN 0.185 nan 8.380 nan 0.000 0.477 248 I N 1.100 121.650 120.570 -0.033 0.000 2.330 248 I HA 0.090 4.260 4.170 0.001 0.000 0.289 248 I C 1.053 177.194 176.117 0.041 0.000 1.001 248 I CA -0.153 61.122 61.300 -0.042 0.000 1.193 248 I CB 1.692 39.568 38.000 -0.208 0.000 1.345 248 I HN -0.065 nan 8.210 nan 0.000 0.461 249 T N -0.251 114.321 114.554 0.030 0.000 3.054 249 T HA 0.154 4.504 4.350 0.001 0.000 0.255 249 T C 0.534 175.258 174.700 0.040 0.000 1.035 249 T CA -0.282 61.843 62.100 0.040 0.000 0.941 249 T CB 0.324 69.209 68.868 0.028 0.000 1.026 249 T HN 0.404 nan 8.240 nan 0.000 0.533 250 S N 0.686 116.410 115.700 0.039 0.000 2.536 250 S HA 0.585 5.055 4.470 0.001 0.000 0.287 250 S C -0.376 174.257 174.600 0.055 0.000 1.101 250 S CA -0.605 57.621 58.200 0.044 0.000 0.950 250 S CB 1.645 64.869 63.200 0.041 0.000 1.056 250 S HN 0.205 nan 8.310 nan 0.000 0.481 251 V N 6.676 126.628 119.914 0.063 0.000 2.584 251 V HA 0.175 4.295 4.120 0.001 0.000 0.303 251 V C -1.575 174.598 176.094 0.131 0.000 1.035 251 V CA -0.291 62.061 62.300 0.086 0.000 1.172 251 V CB -0.163 31.721 31.823 0.103 0.000 0.896 251 V HN 0.730 nan 8.190 nan 0.000 0.486 252 P HA 0.430 nan 4.420 nan 0.000 0.286 252 P C -0.734 176.747 177.300 0.302 0.000 1.292 252 P CA -1.115 62.106 63.100 0.202 0.000 0.842 252 P CB 1.119 32.901 31.700 0.137 0.000 1.207 253 R N -0.683 119.959 120.500 0.237 0.000 2.590 253 R HA 0.406 4.746 4.340 0.001 0.000 0.274 253 R C 1.218 177.710 176.300 0.320 0.000 1.061 253 R CA 0.332 56.550 56.100 0.198 0.000 1.081 253 R CB -0.105 30.267 30.300 0.120 0.000 0.984 253 R HN 0.685 nan 8.270 nan 0.000 0.448 254 G N 0.993 109.888 108.800 0.159 0.000 3.735 254 G HA2 0.345 4.306 3.960 0.001 0.000 0.283 254 G HA3 0.345 4.306 3.960 0.001 0.000 0.283 254 G C 0.708 175.682 174.900 0.124 0.000 1.007 254 G CA 0.232 45.454 45.100 0.203 0.000 0.821 254 G HN 0.955 nan 8.290 nan 0.000 0.505 255 G N 1.425 109.988 108.800 -0.395 0.000 2.561 255 G HA2 -0.351 3.609 3.960 0.001 0.000 0.289 255 G HA3 -0.351 3.609 3.960 0.001 0.000 0.289 255 G C 0.620 174.955 174.900 -0.940 0.000 1.169 255 G CA 0.327 44.609 45.100 -1.364 0.000 0.980 255 G HN 0.323 nan 8.290 nan 0.000 0.550 256 N N 2.315 120.269 118.700 -1.243 0.000 2.279 256 N HA 0.502 5.242 4.740 0.001 0.000 0.226 256 N C 0.944 176.041 175.510 -0.688 0.000 1.126 256 N CA 0.809 53.234 53.050 -1.041 0.000 0.846 256 N CB 0.237 38.002 38.487 -1.203 0.000 1.050 256 N HN 0.949 nan 8.380 nan 0.000 0.502 257 A N -0.368 122.262 122.820 -0.316 0.000 2.448 257 A HA 0.394 4.714 4.320 0.001 0.000 0.239 257 A C 1.705 179.318 177.584 0.047 0.000 1.080 257 A CA 0.387 52.495 52.037 0.118 0.000 0.779 257 A CB -0.071 19.004 19.000 0.125 0.000 1.026 257 A HN 0.283 nan 8.150 nan 0.000 0.499 258 G N 0.089 108.975 108.800 0.144 0.000 2.469 258 G HA2 0.239 4.199 3.960 0.001 0.000 0.220 258 G HA3 0.239 4.199 3.960 0.001 0.000 0.220 258 G C 1.488 176.381 174.900 -0.013 0.000 1.136 258 G CA 1.446 46.617 45.100 0.119 0.000 0.759 258 G HN 2.344 nan 8.290 nan 0.000 0.562 259 G N -0.412 108.359 108.800 -0.049 0.000 2.574 259 G HA2 -0.121 3.840 3.960 0.001 0.000 0.301 259 G HA3 -0.121 3.840 3.960 0.001 0.000 0.301 259 G C 1.411 176.307 174.900 -0.008 0.000 1.166 259 G CA 1.057 46.131 45.100 -0.043 0.000 0.971 259 G HN 1.321 nan 8.290 nan 0.000 0.542 260 G N 1.319 110.106 108.800 -0.021 0.000 2.603 260 G HA2 0.492 4.452 3.960 0.001 0.000 0.214 260 G HA3 0.492 4.452 3.960 0.001 0.000 0.214 260 G C 1.155 176.039 174.900 -0.027 0.000 1.140 260 G CA 1.075 46.165 45.100 -0.017 0.000 0.800 260 G HN 1.726 nan 8.290 nan 0.000 0.533 261 G N 0.995 109.774 108.800 -0.035 0.000 2.272 261 G HA2 0.349 4.309 3.960 0.001 0.000 0.247 261 G HA3 0.349 4.309 3.960 0.001 0.000 0.247 261 G C 0.447 175.348 174.900 0.002 0.000 1.272 261 G CA -0.355 44.734 45.100 -0.018 0.000 0.921 261 G HN 0.513 nan 8.290 nan 0.000 0.495 262 Q N 2.338 122.132 119.800 -0.009 0.000 2.593 262 Q HA -0.033 4.307 4.340 0.001 0.000 0.285 262 Q C -2.144 173.902 176.000 0.077 0.000 1.185 262 Q CA -0.760 55.029 55.803 -0.024 0.000 1.012 262 Q CB -0.517 28.204 28.738 -0.028 0.000 1.322 262 Q HN 0.323 nan 8.270 nan 0.000 0.500 263 P HA 0.051 nan 4.420 nan 0.000 0.265 263 P C -0.477 177.101 177.300 0.465 0.000 1.187 263 P CA 0.571 63.835 63.100 0.274 0.000 0.766 263 P CB 0.399 32.262 31.700 0.271 0.000 0.820 264 G N 1.018 110.151 108.800 0.555 0.000 2.576 264 G HA2 0.548 4.508 3.960 0.001 0.000 0.290 264 G HA3 0.548 4.508 3.960 0.001 0.000 0.290 264 G C -2.518 172.263 174.900 -0.199 0.000 1.442 264 G CA -0.430 44.887 45.100 0.361 0.000 0.792 264 G HN 0.495 nan 8.290 nan 0.000 0.491 265 W N 0.281 120.849 121.300 -1.220 0.000 3.059 265 W HA 0.529 5.189 4.660 0.000 0.000 0.329 265 W C -1.657 174.249 176.519 -1.021 0.000 1.246 265 W CA -0.872 55.790 57.345 -1.138 0.000 1.190 265 W CB 2.251 30.839 29.460 -1.453 0.000 1.423 265 W HN 0.577 nan 8.180 nan 0.000 0.571 266 M N 4.174 123.336 119.600 -0.729 0.000 2.069 266 M HA 0.414 4.894 4.480 0.001 0.000 0.349 266 M C -1.298 175.077 176.300 0.125 0.000 1.194 266 M CA 0.157 55.297 55.300 -0.266 0.000 1.081 266 M CB -0.073 32.348 32.600 -0.298 0.000 1.500 266 M HN 0.161 nan 8.290 nan 0.000 0.438 267 L N 4.535 125.883 121.223 0.208 0.000 2.317 267 L HA 0.526 4.867 4.340 0.001 0.000 0.281 267 L C 0.140 177.123 176.870 0.188 0.000 1.024 267 L CA -1.165 53.830 54.840 0.258 0.000 0.810 267 L CB 1.388 43.624 42.059 0.296 0.000 1.240 267 L HN 0.561 nan 8.230 nan 0.000 0.427 268 K N 1.278 121.623 120.400 -0.091 0.000 2.489 268 K HA 0.204 4.525 4.320 0.001 0.000 0.278 268 K C -0.609 175.918 176.600 -0.123 0.000 1.000 268 K CA -0.119 55.860 56.287 -0.514 0.000 1.012 268 K CB 0.497 32.485 32.500 -0.853 0.000 0.903 268 K HN 0.540 nan 8.250 nan 0.000 0.485 269 C N 1.534 120.762 119.300 -0.119 0.000 2.871 269 C HA 0.338 4.798 4.460 0.001 0.000 0.351 269 C C -0.048 175.019 174.990 0.127 0.000 1.338 269 C CA -1.072 57.970 59.018 0.040 0.000 1.686 269 C CB 1.269 28.995 27.740 -0.024 0.000 2.135 269 C HN 0.812 nan 8.230 nan 0.000 0.476 270 K N 0.441 120.903 120.400 0.102 0.000 2.472 270 K HA 0.352 4.672 4.320 0.001 0.000 0.280 270 K C 0.925 177.554 176.600 0.049 0.000 1.028 270 K CA 1.435 57.774 56.287 0.086 0.000 1.045 270 K CB -0.331 32.201 32.500 0.053 0.000 0.902 270 K HN 1.222 nan 8.250 nan 0.000 0.478 271 G N 4.769 113.561 108.800 -0.013 0.000 2.159 271 G HA2 -0.184 3.776 3.960 0.001 0.000 0.227 271 G HA3 -0.184 3.776 3.960 0.001 0.000 0.227 271 G C 0.553 175.389 174.900 -0.106 0.000 0.986 271 G CA 0.264 45.314 45.100 -0.083 0.000 0.651 271 G HN 0.909 nan 8.290 nan 0.000 0.523 272 W N 0.843 122.077 121.300 -0.110 0.000 2.392 272 W HA 0.038 4.698 4.660 0.001 0.000 0.279 272 W C 1.144 177.652 176.519 -0.018 0.000 1.225 272 W CA 1.348 58.612 57.345 -0.135 0.000 1.233 272 W CB -0.619 28.596 29.460 -0.407 0.000 1.122 272 W HN 0.402 nan 8.180 nan 0.000 0.561 273 E N 0.718 120.428 120.200 -0.816 0.000 2.110 273 E HA -0.153 4.197 4.350 0.001 0.000 0.193 273 E C 2.217 178.678 176.600 -0.231 0.000 0.988 273 E CA 2.480 58.500 56.400 -0.632 0.000 0.804 273 E CB -0.652 28.604 29.700 -0.739 0.000 0.745 273 E HN 0.075 nan 8.360 nan 0.000 0.458 274 T N -0.757 113.688 114.554 -0.182 0.000 3.051 274 T HA -0.026 4.325 4.350 0.001 0.000 0.255 274 T C -0.475 174.220 174.700 -0.008 0.000 1.085 274 T CA 0.456 62.507 62.100 -0.081 0.000 1.109 274 T CB 0.146 68.965 68.868 -0.083 0.000 0.921 274 T HN -0.012 nan 8.240 nan 0.000 0.488 275 D N -0.236 120.184 120.400 0.032 0.000 2.476 275 D HA 0.549 5.189 4.640 0.001 0.000 0.251 275 D C 0.880 177.282 176.300 0.171 0.000 1.291 275 D CA -0.143 53.907 54.000 0.085 0.000 0.939 275 D CB 1.134 41.977 40.800 0.072 0.000 1.221 275 D HN 0.024 nan 8.370 nan 0.000 0.567 276 A N 3.521 126.443 122.820 0.169 0.000 2.054 276 A HA -0.194 4.126 4.320 0.001 0.000 0.223 276 A C 1.170 178.911 177.584 0.261 0.000 1.169 276 A CA 1.588 53.753 52.037 0.212 0.000 0.655 276 A CB -0.075 18.996 19.000 0.118 0.000 0.812 276 A HN 0.578 nan 8.150 nan 0.000 0.462 277 D N -1.212 119.318 120.400 0.216 0.000 2.462 277 D HA 0.163 4.803 4.640 0.001 0.000 0.221 277 D C 0.041 176.484 176.300 0.237 0.000 1.173 277 D CA 0.178 54.298 54.000 0.200 0.000 0.831 277 D CB 0.253 41.114 40.800 0.103 0.000 1.001 277 D HN 0.189 nan 8.370 nan 0.000 0.499 278 S N 0.667 116.537 115.700 0.283 0.000 4.087 278 S HA 0.253 4.723 4.470 0.001 0.000 0.213 278 S C -1.043 173.577 174.600 0.034 0.000 1.415 278 S CA -0.229 58.042 58.200 0.118 0.000 0.893 278 S CB -0.607 62.641 63.200 0.081 0.000 1.529 278 S HN 0.051 nan 8.310 nan 0.000 0.457 279 Y N 0.154 120.455 120.300 0.001 0.000 2.558 279 Y HA 0.431 4.982 4.550 0.000 0.000 0.333 279 Y C -0.214 175.663 175.900 -0.038 0.000 1.125 279 Y CA -1.160 56.943 58.100 0.004 0.000 1.039 279 Y CB 1.586 40.055 38.460 0.015 0.000 1.331 279 Y HN 0.229 nan 8.280 nan 0.000 0.456 280 V N -0.996 119.002 119.914 0.140 0.000 3.019 280 V HA 0.600 4.720 4.120 0.001 0.000 0.317 280 V C -1.654 174.538 176.094 0.163 0.000 1.094 280 V CA -1.160 61.192 62.300 0.087 0.000 1.000 280 V CB 2.179 33.986 31.823 -0.028 0.000 1.060 280 V HN 0.712 nan 8.190 nan 0.000 0.443 281 Y N 1.993 122.339 120.300 0.077 0.000 2.331 281 Y HA 0.693 5.244 4.550 0.000 0.000 0.338 281 Y C -0.981 175.029 175.900 0.183 0.000 0.992 281 Y CA -0.868 57.286 58.100 0.090 0.000 1.121 281 Y CB 1.666 40.125 38.460 -0.001 0.000 1.184 281 Y HN 0.749 nan 8.280 nan 0.000 0.469 282 F N 4.286 124.120 119.950 -0.194 0.000 2.493 282 F HA 0.523 5.051 4.527 0.000 0.000 0.329 282 F C -0.732 175.150 175.800 0.136 0.000 1.126 282 F CA -0.422 57.625 58.000 0.078 0.000 0.937 282 F CB 1.520 40.661 39.000 0.235 0.000 1.146 282 F HN 0.351 nan 8.300 nan 0.000 0.442 283 T N 7.299 121.760 114.554 -0.156 0.000 2.792 283 T HA 0.463 4.813 4.350 0.001 0.000 0.280 283 T C 0.023 174.717 174.700 -0.010 0.000 0.990 283 T CA -0.400 61.749 62.100 0.081 0.000 0.960 283 T CB 0.881 69.804 68.868 0.092 0.000 0.939 283 T HN 0.383 nan 8.240 nan 0.000 0.439 284 I N 3.326 124.038 120.570 0.236 0.000 2.227 284 I HA 0.297 4.468 4.170 0.001 0.000 0.297 284 I C 1.048 177.255 176.117 0.149 0.000 1.173 284 I CA -0.481 60.950 61.300 0.218 0.000 1.356 284 I CB -0.078 38.088 38.000 0.277 0.000 1.485 284 I HN 0.632 nan 8.210 nan 0.000 0.604 285 A N 4.303 127.174 122.820 0.085 0.000 2.488 285 A HA 0.437 4.757 4.320 0.001 0.000 0.249 285 A C 1.527 179.178 177.584 0.112 0.000 1.083 285 A CA 0.321 52.397 52.037 0.064 0.000 0.768 285 A CB 0.559 19.580 19.000 0.034 0.000 1.017 285 A HN 0.834 nan 8.150 nan 0.000 0.496 286 A N 2.844 125.713 122.820 0.081 0.000 1.940 286 A HA -0.185 4.135 4.320 0.001 0.000 0.219 286 A C 1.844 179.517 177.584 0.147 0.000 1.176 286 A CA 1.677 53.786 52.037 0.120 0.000 0.631 286 A CB -0.650 18.388 19.000 0.063 0.000 0.814 286 A HN 1.050 nan 8.150 nan 0.000 0.446 287 N N -0.498 118.262 118.700 0.099 0.000 2.635 287 N HA -0.094 4.646 4.740 0.001 0.000 0.191 287 N C 0.826 176.403 175.510 0.112 0.000 1.155 287 N CA 1.022 54.129 53.050 0.095 0.000 0.927 287 N CB -0.248 38.274 38.487 0.058 0.000 0.976 287 N HN 0.546 nan 8.380 nan 0.000 0.448 288 M N -1.261 118.424 119.600 0.142 0.000 2.502 288 M HA 0.117 4.597 4.480 0.001 0.000 0.351 288 M C 0.848 177.231 176.300 0.139 0.000 1.118 288 M CA -0.506 54.862 55.300 0.112 0.000 0.952 288 M CB 0.179 32.816 32.600 0.061 0.000 1.424 288 M HN 0.183 nan 8.290 nan 0.000 0.529 289 W N 3.393 124.734 121.300 0.068 0.000 2.354 289 W HA -0.080 4.581 4.660 0.000 0.000 0.315 289 W C -1.315 175.262 176.519 0.096 0.000 1.206 289 W CA 2.230 59.629 57.345 0.091 0.000 1.290 289 W CB -1.234 28.284 29.460 0.095 0.000 1.152 289 W HN 0.130 nan 8.180 nan 0.000 0.489 290 P HA -0.243 nan 4.420 nan 0.000 0.214 290 P C 1.423 178.645 177.300 -0.130 0.000 1.163 290 P CA 2.548 65.603 63.100 -0.075 0.000 0.889 290 P CB -0.354 31.377 31.700 0.052 0.000 0.790 291 Q N -0.607 119.168 119.800 -0.042 0.000 2.096 291 Q HA -0.186 4.154 4.340 0.001 0.000 0.208 291 Q C 2.193 178.110 176.000 -0.139 0.000 0.993 291 Q CA 1.610 57.428 55.803 0.024 0.000 0.862 291 Q CB -1.104 27.684 28.738 0.083 0.000 0.915 291 Q HN 0.283 nan 8.270 nan 0.000 0.416 292 I N -0.550 119.859 120.570 -0.269 0.000 2.252 292 I HA -0.307 3.864 4.170 0.001 0.000 0.245 292 I C 2.061 177.898 176.117 -0.467 0.000 1.102 292 I CA 0.685 61.770 61.300 -0.359 0.000 1.385 292 I CB -0.287 37.503 38.000 -0.351 0.000 1.064 292 I HN 0.315 nan 8.210 nan 0.000 0.414 293 C N 0.656 119.614 119.300 -0.570 0.000 2.425 293 C HA -0.167 4.293 4.460 0.001 0.000 0.277 293 C C 2.430 177.254 174.990 -0.277 0.000 1.280 293 C CA 0.696 59.447 59.018 -0.444 0.000 1.744 293 C CB -1.048 26.466 27.740 -0.376 0.000 1.989 293 C HN 0.523 nan 8.230 nan 0.000 0.491 294 D N 0.284 120.573 120.400 -0.185 0.000 2.117 294 D HA -0.166 4.475 4.640 0.001 0.000 0.197 294 D C 2.012 178.258 176.300 -0.089 0.000 0.987 294 D CA 1.205 55.177 54.000 -0.047 0.000 0.829 294 D CB -0.505 40.382 40.800 0.145 0.000 0.961 294 D HN 0.535 nan 8.370 nan 0.000 0.460 295 M N 0.614 119.981 119.600 -0.389 0.000 2.123 295 M HA -0.060 4.420 4.480 0.001 0.000 0.263 295 M C 1.931 178.063 176.300 -0.280 0.000 1.069 295 M CA 1.352 56.260 55.300 -0.654 0.000 1.133 295 M CB 0.091 31.922 32.600 -1.282 0.000 1.356 295 M HN 0.025 nan 8.290 nan 0.000 0.415 296 I N -3.067 117.327 120.570 -0.293 0.000 3.793 296 I HA 0.094 4.265 4.170 0.001 0.000 0.315 296 I C -0.577 175.486 176.117 -0.090 0.000 1.275 296 I CA 0.096 61.289 61.300 -0.179 0.000 1.214 296 I CB -0.345 37.538 38.000 -0.195 0.000 1.018 296 I HN 0.208 nan 8.210 nan 0.000 0.439 297 D N 3.091 123.421 120.400 -0.116 0.000 2.848 297 D HA -0.108 4.532 4.640 0.001 0.000 0.245 297 D C -0.437 175.724 176.300 -0.231 0.000 1.122 297 D CA 0.663 54.601 54.000 -0.104 0.000 0.769 297 D CB -0.362 40.424 40.800 -0.023 0.000 1.025 297 D HN 0.493 nan 8.370 nan 0.000 0.423 298 K N 0.559 120.744 120.400 -0.359 0.000 2.992 298 K HA 0.185 4.505 4.320 0.001 0.000 0.178 298 K C -1.817 174.552 176.600 -0.384 0.000 1.122 298 K CA -1.100 54.817 56.287 -0.616 0.000 0.926 298 K CB 1.859 33.590 32.500 -1.280 0.000 1.121 298 K HN 0.089 nan 8.250 nan 0.000 0.610 299 P HA -0.194 nan 4.420 nan 0.000 0.219 299 P C 1.076 178.355 177.300 -0.036 0.000 1.150 299 P CA 1.110 64.154 63.100 -0.094 0.000 0.814 299 P CB 0.359 32.022 31.700 -0.062 0.000 0.787 300 E N -0.575 119.577 120.200 -0.080 0.000 2.160 300 E HA -0.195 4.155 4.350 0.001 0.000 0.195 300 E C 1.307 178.012 176.600 0.175 0.000 0.991 300 E CA 1.139 57.550 56.400 0.019 0.000 0.810 300 E CB -1.231 28.462 29.700 -0.012 0.000 0.742 300 E HN 0.285 nan 8.360 nan 0.000 0.466 301 W N 1.955 123.196 121.300 -0.099 0.000 2.937 301 W HA 0.165 4.826 4.660 0.000 0.000 0.245 301 W C 1.801 178.504 176.519 0.307 0.000 1.306 301 W CA -0.301 57.036 57.345 -0.014 0.000 1.470 301 W CB -0.190 29.247 29.460 -0.039 0.000 1.132 301 W HN 0.097 nan 8.180 nan 0.000 0.675 302 K N 0.088 120.719 120.400 0.386 0.000 2.148 302 K HA -0.117 4.204 4.320 0.001 0.000 0.204 302 K C 0.786 177.563 176.600 0.295 0.000 1.050 302 K CA 1.422 57.926 56.287 0.363 0.000 0.942 302 K CB -0.070 32.538 32.500 0.181 0.000 0.724 302 K HN 0.164 nan 8.250 nan 0.000 0.446 303 D N 0.188 120.713 120.400 0.208 0.000 2.455 303 D HA -0.050 4.590 4.640 0.001 0.000 0.228 303 D C 0.324 176.691 176.300 0.111 0.000 1.070 303 D CA 0.040 54.121 54.000 0.135 0.000 0.881 303 D CB -0.184 40.673 40.800 0.096 0.000 1.087 303 D HN 0.017 nan 8.370 nan 0.000 0.498 304 D N 2.195 122.679 120.400 0.140 0.000 2.520 304 D HA -0.022 4.619 4.640 0.001 0.000 0.243 304 D C -1.694 174.651 176.300 0.074 0.000 1.160 304 D CA -1.200 52.874 54.000 0.122 0.000 0.877 304 D CB 1.706 42.617 40.800 0.184 0.000 1.150 304 D HN -0.039 nan 8.370 nan 0.000 0.494 305 P HA 0.096 nan 4.420 nan 0.000 0.241 305 P C 0.551 177.762 177.300 -0.150 0.000 1.191 305 P CA 0.270 63.331 63.100 -0.064 0.000 0.771 305 P CB 0.252 31.918 31.700 -0.056 0.000 0.929 306 A N -1.982 120.749 122.820 -0.149 0.000 2.239 306 A HA -0.042 4.278 4.320 0.001 0.000 0.209 306 A C 0.886 178.048 177.584 -0.703 0.000 1.171 306 A CA 1.054 52.871 52.037 -0.365 0.000 0.768 306 A CB -1.086 17.711 19.000 -0.338 0.000 0.790 306 A HN 0.207 nan 8.150 nan 0.000 0.478 307 Y N -1.728 118.308 120.300 -0.440 0.000 2.648 307 Y HA 0.100 4.651 4.550 0.000 0.000 0.270 307 Y C 1.095 176.396 175.900 -0.998 0.000 1.043 307 Y CA -0.012 57.678 58.100 -0.683 0.000 1.238 307 Y CB 0.494 38.630 38.460 -0.540 0.000 1.385 307 Y HN 0.476 nan 8.280 nan 0.000 0.569 308 N N -0.005 118.396 118.700 -0.499 0.000 2.291 308 N HA 0.131 4.872 4.740 0.001 0.000 0.244 308 N C -0.478 174.864 175.510 -0.281 0.000 1.216 308 N CA 0.295 53.038 53.050 -0.512 0.000 0.879 308 N CB 0.009 38.444 38.487 -0.087 0.000 1.167 308 N HN 0.071 nan 8.380 nan 0.000 0.515 309 T N -4.782 109.596 114.554 -0.295 0.000 2.883 309 T HA 0.340 4.691 4.350 0.001 0.000 0.296 309 T C 0.292 174.920 174.700 -0.119 0.000 1.117 309 T CA -0.798 61.218 62.100 -0.140 0.000 1.006 309 T CB 0.798 69.593 68.868 -0.122 0.000 1.191 309 T HN -0.124 nan 8.240 nan 0.000 0.508 310 F N 1.731 121.590 119.950 -0.151 0.000 2.091 310 F HA -0.060 4.467 4.527 0.000 0.000 0.299 310 F C 2.026 177.722 175.800 -0.174 0.000 1.103 310 F CA 1.915 59.830 58.000 -0.142 0.000 1.228 310 F CB -0.745 38.208 39.000 -0.078 0.000 0.984 310 F HN 0.744 nan 8.300 nan 0.000 0.477 311 E N -0.056 119.894 120.200 -0.416 0.000 2.051 311 E HA -0.090 4.260 4.350 0.001 0.000 0.192 311 E C 2.520 178.853 176.600 -0.445 0.000 0.991 311 E CA 1.427 57.530 56.400 -0.495 0.000 0.799 311 E CB -1.104 28.430 29.700 -0.277 0.000 0.748 311 E HN 0.498 nan 8.360 nan 0.000 0.449 312 G N -0.100 108.476 108.800 -0.374 0.000 2.443 312 G HA2 -0.279 3.681 3.960 0.001 0.000 0.219 312 G HA3 -0.279 3.681 3.960 0.001 0.000 0.219 312 G C 1.625 176.225 174.900 -0.500 0.000 1.131 312 G CA 0.536 45.399 45.100 -0.396 0.000 0.775 312 G HN 0.095 nan 8.290 nan 0.000 0.547 313 R N -0.415 119.776 120.500 -0.515 0.000 2.090 313 R HA 0.048 4.389 4.340 0.001 0.000 0.228 313 R C 2.706 178.739 176.300 -0.445 0.000 1.110 313 R CA 0.716 56.504 56.100 -0.520 0.000 0.973 313 R CB -0.262 29.788 30.300 -0.416 0.000 0.869 313 R HN 0.251 nan 8.270 nan 0.000 0.440 314 V N 1.481 121.111 119.914 -0.474 0.000 2.317 314 V HA -0.338 3.782 4.120 0.001 0.000 0.251 314 V C 1.693 177.602 176.094 -0.307 0.000 1.065 314 V CA 2.059 64.130 62.300 -0.382 0.000 1.049 314 V CB -0.533 31.027 31.823 -0.439 0.000 0.651 314 V HN 0.364 nan 8.190 nan 0.000 0.450 315 D N -0.008 120.196 120.400 -0.325 0.000 2.218 315 D HA -0.182 4.458 4.640 0.001 0.000 0.194 315 D C 1.865 178.004 176.300 -0.268 0.000 1.007 315 D CA 1.523 55.356 54.000 -0.278 0.000 0.879 315 D CB -0.040 40.574 40.800 -0.309 0.000 0.918 315 D HN 0.466 nan 8.370 nan 0.000 0.449 316 K N -0.777 119.422 120.400 -0.335 0.000 2.520 316 K HA 0.068 4.389 4.320 0.001 0.000 0.206 316 K C 1.415 177.833 176.600 -0.303 0.000 1.122 316 K CA -0.355 55.739 56.287 -0.322 0.000 1.045 316 K CB 0.727 32.960 32.500 -0.445 0.000 0.932 316 K HN -0.009 nan 8.250 nan 0.000 0.571 317 L N 1.548 122.591 121.223 -0.301 0.000 2.021 317 L HA -0.169 4.171 4.340 0.001 0.000 0.215 317 L C 1.892 178.605 176.870 -0.261 0.000 1.074 317 L CA 1.965 56.631 54.840 -0.290 0.000 0.760 317 L CB -0.351 41.603 42.059 -0.174 0.000 0.889 317 L HN 0.165 nan 8.230 nan 0.000 0.433 318 M N -1.346 118.072 119.600 -0.304 0.000 2.394 318 M HA -0.111 4.370 4.480 0.001 0.000 0.264 318 M C 1.751 177.980 176.300 -0.119 0.000 1.073 318 M CA 1.005 56.103 55.300 -0.335 0.000 1.111 318 M CB -1.165 30.894 32.600 -0.901 0.000 1.401 318 M HN 0.312 nan 8.290 nan 0.000 0.448 319 D N 0.552 120.897 120.400 -0.092 0.000 2.149 319 D HA -0.010 4.630 4.640 0.001 0.000 0.201 319 D C 2.158 178.507 176.300 0.081 0.000 0.972 319 D CA 1.004 55.012 54.000 0.014 0.000 0.835 319 D CB 0.193 40.986 40.800 -0.012 0.000 0.966 319 D HN 0.358 nan 8.370 nan 0.000 0.476 320 I N 0.574 121.139 120.570 -0.009 0.000 2.179 320 I HA -0.268 3.902 4.170 0.001 0.000 0.242 320 I C 2.301 178.490 176.117 0.120 0.000 1.088 320 I CA 1.001 62.350 61.300 0.082 0.000 1.357 320 I CB -0.365 37.587 38.000 -0.079 0.000 1.051 320 I HN -0.124 nan 8.210 nan 0.000 0.409 321 F N 1.416 121.387 119.950 0.034 0.000 2.134 321 F HA -0.190 4.338 4.527 0.001 0.000 0.299 321 F C 2.874 178.646 175.800 -0.047 0.000 1.097 321 F CA 1.373 59.358 58.000 -0.025 0.000 1.264 321 F CB -1.009 37.909 39.000 -0.136 0.000 1.001 321 F HN -0.024 nan 8.300 nan 0.000 0.479 322 S N -0.180 115.614 115.700 0.158 0.000 2.383 322 S HA -0.238 4.233 4.470 0.001 0.000 0.229 322 S C 1.910 176.559 174.600 0.081 0.000 1.030 322 S CA 1.352 59.614 58.200 0.103 0.000 1.002 322 S CB -0.792 62.481 63.200 0.121 0.000 0.829 322 S HN 0.405 nan 8.310 nan 0.000 0.467 323 F N 1.927 121.895 119.950 0.030 0.000 2.206 323 F HA 0.062 4.589 4.527 0.001 0.000 0.298 323 F C 1.761 177.481 175.800 -0.133 0.000 1.090 323 F CA 0.805 58.810 58.000 0.009 0.000 1.323 323 F CB -0.288 38.796 39.000 0.140 0.000 1.028 323 F HN 0.097 nan 8.300 nan 0.000 0.492 324 I N 0.324 120.754 120.570 -0.233 0.000 2.226 324 I HA -0.285 3.885 4.170 0.001 0.000 0.245 324 I C 2.418 177.991 176.117 -0.907 0.000 1.100 324 I CA 1.745 62.662 61.300 -0.637 0.000 1.374 324 I CB -0.667 36.956 38.000 -0.629 0.000 1.057 324 I HN 0.184 nan 8.210 nan 0.000 0.413 325 E N 0.431 120.319 120.200 -0.520 0.000 2.147 325 E HA -0.287 4.063 4.350 0.001 0.000 0.199 325 E C 2.108 178.505 176.600 -0.339 0.000 1.005 325 E CA 1.881 58.067 56.400 -0.356 0.000 0.810 325 E CB -0.016 29.616 29.700 -0.112 0.000 0.736 325 E HN 0.318 nan 8.360 nan 0.000 0.460 326 T N -0.048 114.280 114.554 -0.377 0.000 2.833 326 T HA -0.107 4.244 4.350 0.001 0.000 0.269 326 T C 1.560 176.092 174.700 -0.281 0.000 1.054 326 T CA 1.048 62.970 62.100 -0.296 0.000 1.135 326 T CB 0.021 68.667 68.868 -0.369 0.000 0.869 326 T HN 0.057 nan 8.240 nan 0.000 0.466 327 K N 0.498 120.638 120.400 -0.434 0.000 2.217 327 K HA 0.044 4.364 4.320 0.001 0.000 0.202 327 K C 1.534 178.232 176.600 0.162 0.000 1.051 327 K CA 0.759 56.935 56.287 -0.185 0.000 0.952 327 K CB -0.299 32.060 32.500 -0.234 0.000 0.736 327 K HN 0.417 nan 8.250 nan 0.000 0.453 328 F N 0.844 120.807 119.950 0.020 0.000 2.780 328 F HA 0.179 4.706 4.527 0.000 0.000 0.299 328 F C 2.103 177.925 175.800 0.036 0.000 1.146 328 F CA -0.672 57.367 58.000 0.066 0.000 1.428 328 F CB -1.188 37.822 39.000 0.018 0.000 1.115 328 F HN -0.085 nan 8.300 nan 0.000 0.583 329 A N -0.306 122.618 122.820 0.173 0.000 1.997 329 A HA -0.225 4.095 4.320 0.001 0.000 0.221 329 A C 1.916 179.566 177.584 0.110 0.000 1.172 329 A CA 2.296 54.407 52.037 0.123 0.000 0.645 329 A CB -0.484 18.554 19.000 0.064 0.000 0.813 329 A HN 0.245 nan 8.150 nan 0.000 0.454 330 D N -1.289 119.166 120.400 0.092 0.000 2.433 330 D HA 0.163 4.804 4.640 0.001 0.000 0.211 330 D C -0.277 176.051 176.300 0.046 0.000 1.114 330 D CA 0.273 54.304 54.000 0.051 0.000 0.837 330 D CB 0.347 41.158 40.800 0.019 0.000 0.984 330 D HN 0.486 nan 8.370 nan 0.000 0.505 331 K N 1.316 121.762 120.400 0.076 0.000 2.324 331 K HA 0.249 4.569 4.320 0.001 0.000 0.253 331 K C -0.555 176.074 176.600 0.049 0.000 0.932 331 K CA -0.930 55.392 56.287 0.057 0.000 0.799 331 K CB 2.113 34.653 32.500 0.067 0.000 1.154 331 K HN -0.136 nan 8.250 nan 0.000 0.425 332 D N 1.109 121.536 120.400 0.045 0.000 2.361 332 D HA -0.040 4.600 4.640 0.001 0.000 0.239 332 D C 0.386 176.659 176.300 -0.046 0.000 1.200 332 D CA -0.285 53.729 54.000 0.024 0.000 0.915 332 D CB 0.779 41.635 40.800 0.093 0.000 1.170 332 D HN 0.423 nan 8.370 nan 0.000 0.444 333 K N 0.287 120.574 120.400 -0.190 0.000 2.160 333 K HA -0.130 4.190 4.320 0.001 0.000 0.206 333 K C 1.772 178.214 176.600 -0.263 0.000 1.047 333 K CA 1.515 57.618 56.287 -0.306 0.000 0.930 333 K CB -0.569 31.650 32.500 -0.468 0.000 0.720 333 K HN 0.435 nan 8.250 nan 0.000 0.450 334 F N 1.465 121.428 119.950 0.021 0.000 2.128 334 F HA -0.076 4.451 4.527 0.000 0.000 0.295 334 F C 2.394 178.217 175.800 0.039 0.000 1.100 334 F CA 0.985 59.003 58.000 0.029 0.000 1.260 334 F CB -0.309 38.708 39.000 0.028 0.000 1.009 334 F HN -0.021 nan 8.300 nan 0.000 0.476 335 E N 0.374 120.692 120.200 0.197 0.000 2.085 335 E HA -0.182 4.169 4.350 0.001 0.000 0.194 335 E C 2.250 178.952 176.600 0.170 0.000 0.994 335 E CA 1.481 57.966 56.400 0.142 0.000 0.801 335 E CB -0.254 29.498 29.700 0.085 0.000 0.743 335 E HN 0.131 nan 8.360 nan 0.000 0.453 336 V N 0.281 120.245 119.914 0.084 0.000 2.427 336 V HA -0.239 3.882 4.120 0.001 0.000 0.248 336 V C 2.173 178.292 176.094 0.041 0.000 1.051 336 V CA 2.081 64.386 62.300 0.009 0.000 1.048 336 V CB -0.558 31.011 31.823 -0.424 0.000 0.666 336 V HN 0.349 nan 8.190 nan 0.000 0.456 337 T N -0.545 114.035 114.554 0.044 0.000 2.777 337 T HA -0.185 4.165 4.350 0.001 0.000 0.266 337 T C 1.927 176.716 174.700 0.148 0.000 1.040 337 T CA 1.557 63.706 62.100 0.082 0.000 1.141 337 T CB -0.195 68.728 68.868 0.092 0.000 0.868 337 T HN 0.581 nan 8.240 nan 0.000 0.444 338 E N -0.344 119.968 120.200 0.187 0.000 2.106 338 E HA -0.154 4.197 4.350 0.001 0.000 0.192 338 E C 2.048 178.822 176.600 0.289 0.000 0.984 338 E CA 0.886 57.404 56.400 0.196 0.000 0.806 338 E CB -0.167 29.633 29.700 0.166 0.000 0.750 338 E HN 0.571 nan 8.360 nan 0.000 0.458 339 W N 1.734 123.098 121.300 0.105 0.000 2.380 339 W HA -0.060 4.601 4.660 0.001 0.000 0.317 339 W C 2.406 179.084 176.519 0.264 0.000 1.196 339 W CA 2.281 59.727 57.345 0.167 0.000 1.307 339 W CB -1.100 28.444 29.460 0.139 0.000 1.157 339 W HN 0.127 nan 8.180 nan 0.000 0.483 340 A N 1.061 123.973 122.820 0.153 0.000 1.929 340 A HA -0.240 4.080 4.320 0.001 0.000 0.221 340 A C 2.191 179.872 177.584 0.161 0.000 1.211 340 A CA 3.516 55.599 52.037 0.077 0.000 0.657 340 A CB -1.633 17.417 19.000 0.083 0.000 0.827 340 A HN 0.556 nan 8.150 nan 0.000 0.462 341 A N -1.305 121.611 122.820 0.160 0.000 2.019 341 A HA -0.185 4.136 4.320 0.001 0.000 0.219 341 A C 2.030 179.687 177.584 0.122 0.000 1.164 341 A CA 1.534 53.644 52.037 0.121 0.000 0.644 341 A CB -0.515 18.547 19.000 0.104 0.000 0.805 341 A HN 0.709 nan 8.150 nan 0.000 0.449 342 Q N -1.883 118.021 119.800 0.173 0.000 2.226 342 Q HA -0.162 4.179 4.340 0.001 0.000 0.204 342 Q C 0.786 176.734 176.000 -0.088 0.000 0.975 342 Q CA 1.446 57.279 55.803 0.051 0.000 0.866 342 Q CB -0.185 28.593 28.738 0.067 0.000 0.915 342 Q HN 0.922 nan 8.270 nan 0.000 0.440 343 Y N -1.505 118.806 120.300 0.019 0.000 2.458 343 Y HA 0.227 4.777 4.550 0.000 0.000 0.256 343 Y C 1.526 177.416 175.900 -0.016 0.000 1.159 343 Y CA 0.158 58.253 58.100 -0.008 0.000 1.261 343 Y CB 0.931 39.362 38.460 -0.048 0.000 1.119 343 Y HN 0.169 nan 8.280 nan 0.000 0.524 344 G N 1.115 109.978 108.800 0.104 0.000 2.189 344 G HA2 -0.350 3.611 3.960 0.001 0.000 0.267 344 G HA3 -0.350 3.611 3.960 0.001 0.000 0.267 344 G C 0.267 175.186 174.900 0.033 0.000 0.975 344 G CA 0.255 45.388 45.100 0.056 0.000 0.644 344 G HN 0.333 nan 8.290 nan 0.000 0.537 345 I N 2.586 123.173 120.570 0.029 0.000 2.710 345 I HA 0.219 4.389 4.170 0.001 0.000 0.286 345 I C -1.566 174.492 176.117 -0.100 0.000 1.181 345 I CA -1.605 59.648 61.300 -0.079 0.000 1.430 345 I CB 0.653 38.556 38.000 -0.161 0.000 1.367 345 I HN -0.088 nan 8.210 nan 0.000 0.577 346 P HA 0.094 nan 4.420 nan 0.000 0.274 346 P C -0.884 176.351 177.300 -0.108 0.000 1.291 346 P CA -0.186 62.866 63.100 -0.079 0.000 0.815 346 P CB 0.356 32.027 31.700 -0.048 0.000 0.897 347 C N 3.610 122.887 119.300 -0.038 0.000 2.811 347 C HA 0.873 5.333 4.460 0.001 0.000 0.352 347 C C -0.303 174.722 174.990 0.058 0.000 1.098 347 C CA 0.001 59.032 59.018 0.022 0.000 1.295 347 C CB 1.122 28.881 27.740 0.032 0.000 1.758 347 C HN 0.676 nan 8.230 nan 0.000 0.488 348 G N 5.068 113.919 108.800 0.085 0.000 2.692 348 G HA2 0.836 4.797 3.960 0.001 0.000 0.291 348 G HA3 0.836 4.797 3.960 0.001 0.000 0.291 348 G C -3.453 171.472 174.900 0.042 0.000 1.423 348 G CA -0.855 44.280 45.100 0.059 0.000 0.843 348 G HN 0.631 nan 8.290 nan 0.000 0.486 349 P HA 0.379 nan 4.420 nan 0.000 0.284 349 P C -0.217 177.069 177.300 -0.024 0.000 1.258 349 P CA -0.462 62.589 63.100 -0.082 0.000 0.824 349 P CB 2.100 33.646 31.700 -0.257 0.000 1.038 350 V N 4.243 124.150 119.914 -0.013 0.000 2.397 350 V HA 0.043 4.163 4.120 0.001 0.000 0.262 350 V C 0.990 177.080 176.094 -0.006 0.000 1.047 350 V CA 0.257 62.560 62.300 0.006 0.000 1.003 350 V CB -0.462 31.384 31.823 0.039 0.000 1.037 350 V HN 0.476 nan 8.190 nan 0.000 0.480 351 M N 4.727 124.338 119.600 0.018 0.000 2.162 351 M HA 0.251 4.731 4.480 0.001 0.000 0.356 351 M C 0.618 176.946 176.300 0.047 0.000 1.303 351 M CA 0.340 55.673 55.300 0.055 0.000 1.116 351 M CB 1.113 33.757 32.600 0.073 0.000 1.632 351 M HN 0.748 nan 8.290 nan 0.000 0.469 352 S N 3.290 119.032 115.700 0.069 0.000 2.632 352 S HA 0.349 4.819 4.470 0.001 0.000 0.267 352 S C 1.158 175.790 174.600 0.053 0.000 1.276 352 S CA -0.730 57.507 58.200 0.061 0.000 0.998 352 S CB 1.139 64.388 63.200 0.081 0.000 0.953 352 S HN 0.652 nan 8.310 nan 0.000 0.547 353 M N 1.115 120.737 119.600 0.037 0.000 2.175 353 M HA 0.005 4.485 4.480 0.001 0.000 0.264 353 M C 2.112 178.424 176.300 0.020 0.000 1.063 353 M CA 1.526 56.837 55.300 0.017 0.000 1.119 353 M CB -1.544 31.061 32.600 0.008 0.000 1.377 353 M HN 0.900 nan 8.290 nan 0.000 0.415 354 K N 0.797 121.234 120.400 0.062 0.000 2.032 354 K HA -0.203 4.117 4.320 0.001 0.000 0.209 354 K C 1.748 178.440 176.600 0.153 0.000 1.048 354 K CA 1.703 58.065 56.287 0.125 0.000 0.927 354 K CB -0.015 32.572 32.500 0.147 0.000 0.712 354 K HN 0.377 nan 8.250 nan 0.000 0.441 355 E N 0.225 120.502 120.200 0.130 0.000 2.118 355 E HA -0.202 4.148 4.350 0.001 0.000 0.195 355 E C 1.975 178.624 176.600 0.082 0.000 0.992 355 E CA 0.993 57.475 56.400 0.137 0.000 0.804 355 E CB 0.023 29.831 29.700 0.180 0.000 0.741 355 E HN 0.143 nan 8.360 nan 0.000 0.458 356 L N 0.326 121.570 121.223 0.036 0.000 2.072 356 L HA -0.029 4.311 4.340 0.001 0.000 0.205 356 L C 2.278 179.101 176.870 -0.079 0.000 1.079 356 L CA 1.638 56.474 54.840 -0.007 0.000 0.752 356 L CB -1.117 40.936 42.059 -0.011 0.000 0.906 356 L HN 0.046 nan 8.230 nan 0.000 0.436 357 A N -1.714 121.006 122.820 -0.167 0.000 2.125 357 A HA -0.179 4.141 4.320 0.001 0.000 0.219 357 A C 1.550 178.806 177.584 -0.547 0.000 1.156 357 A CA 1.386 53.197 52.037 -0.376 0.000 0.671 357 A CB -0.591 18.103 19.000 -0.511 0.000 0.794 357 A HN 0.602 nan 8.150 nan 0.000 0.459 358 H N -1.532 117.543 119.070 0.009 0.000 2.923 358 H HA 0.128 4.684 4.556 0.001 0.000 0.268 358 H C -0.711 174.612 175.328 -0.008 0.000 1.148 358 H CA -0.531 55.517 56.048 0.001 0.000 1.146 358 H CB -0.067 29.697 29.762 0.005 0.000 1.607 358 H HN 0.487 nan 8.280 nan 0.000 0.566 359 D N 3.013 123.441 120.400 0.046 0.000 2.401 359 D HA 0.015 4.655 4.640 0.001 0.000 0.254 359 D C -1.337 174.967 176.300 0.006 0.000 1.192 359 D CA -1.541 52.472 54.000 0.022 0.000 0.885 359 D CB 1.734 42.541 40.800 0.011 0.000 1.147 359 D HN 0.038 nan 8.370 nan 0.000 0.478 360 P HA -0.120 nan 4.420 nan 0.000 0.215 360 P C 1.310 178.599 177.300 -0.018 0.000 1.153 360 P CA 0.780 63.875 63.100 -0.009 0.000 0.853 360 P CB 0.184 31.875 31.700 -0.016 0.000 0.788 361 S N -0.413 115.275 115.700 -0.019 0.000 2.370 361 S HA -0.117 4.353 4.470 0.001 0.000 0.226 361 S C 1.831 176.415 174.600 -0.026 0.000 1.033 361 S CA 1.117 59.304 58.200 -0.021 0.000 1.011 361 S CB -1.124 62.066 63.200 -0.017 0.000 0.852 361 S HN 0.121 nan 8.310 nan 0.000 0.457 362 L N 1.030 122.237 121.223 -0.026 0.000 2.275 362 L HA -0.111 4.230 4.340 0.001 0.000 0.215 362 L C 2.491 179.335 176.870 -0.044 0.000 1.119 362 L CA 0.957 55.775 54.840 -0.036 0.000 0.790 362 L CB -0.397 41.641 42.059 -0.036 0.000 0.919 362 L HN 0.385 nan 8.230 nan 0.000 0.443 363 Q N -0.588 119.190 119.800 -0.038 0.000 2.302 363 Q HA -0.127 4.213 4.340 0.001 0.000 0.202 363 Q C 2.013 177.988 176.000 -0.042 0.000 0.936 363 Q CA 0.501 56.279 55.803 -0.042 0.000 0.886 363 Q CB 0.115 28.833 28.738 -0.033 0.000 0.986 363 Q HN 0.366 nan 8.270 nan 0.000 0.487 364 K N 0.998 121.376 120.400 -0.036 0.000 2.002 364 K HA -0.125 4.196 4.320 0.001 0.000 0.209 364 K C 1.942 178.517 176.600 -0.043 0.000 1.048 364 K CA 1.675 57.941 56.287 -0.036 0.000 0.930 364 K CB 0.024 32.506 32.500 -0.030 0.000 0.714 364 K HN 0.213 nan 8.250 nan 0.000 0.438 365 V N -2.428 117.459 119.914 -0.046 0.000 3.573 365 V HA 0.235 4.355 4.120 0.001 0.000 0.270 365 V C 0.846 176.901 176.094 -0.064 0.000 1.221 365 V CA 0.790 63.059 62.300 -0.053 0.000 1.163 365 V CB -0.459 31.334 31.823 -0.051 0.000 0.847 365 V HN 0.490 nan 8.190 nan 0.000 0.468 366 G N -0.027 108.732 108.800 -0.068 0.000 2.143 366 G HA2 -0.290 3.670 3.960 0.001 0.000 0.248 366 G HA3 -0.290 3.670 3.960 0.001 0.000 0.248 366 G C 0.504 175.354 174.900 -0.083 0.000 0.991 366 G CA 0.758 45.809 45.100 -0.082 0.000 0.689 366 G HN 0.559 nan 8.290 nan 0.000 0.522 367 T N -0.733 113.777 114.554 -0.075 0.000 2.939 367 T HA 0.258 4.608 4.350 0.001 0.000 0.254 367 T C 1.277 175.937 174.700 -0.067 0.000 1.041 367 T CA 1.049 63.104 62.100 -0.075 0.000 1.142 367 T CB 0.395 69.218 68.868 -0.077 0.000 0.874 367 T HN 0.287 nan 8.240 nan 0.000 0.452 368 V N 2.730 122.605 119.914 -0.065 0.000 2.465 368 V HA 0.476 4.596 4.120 0.001 0.000 0.279 368 V C -0.394 175.655 176.094 -0.075 0.000 1.045 368 V CA -0.522 61.738 62.300 -0.066 0.000 0.938 368 V CB 1.526 33.309 31.823 -0.068 0.000 0.986 368 V HN 0.085 nan 8.190 nan 0.000 0.467 369 V N 3.771 123.634 119.914 -0.086 0.000 2.709 369 V HA 0.380 4.500 4.120 0.001 0.000 0.308 369 V C -0.192 175.827 176.094 -0.125 0.000 1.062 369 V CA -0.853 61.381 62.300 -0.110 0.000 0.901 369 V CB 2.003 33.736 31.823 -0.150 0.000 1.003 369 V HN 0.950 nan 8.190 nan 0.000 0.425 370 E N 3.139 123.269 120.200 -0.116 0.000 2.129 370 E HA 0.412 4.762 4.350 0.001 0.000 0.283 370 E C -0.937 175.556 176.600 -0.178 0.000 1.080 370 E CA -0.293 56.029 56.400 -0.129 0.000 0.867 370 E CB 1.173 30.829 29.700 -0.074 0.000 1.056 370 E HN 0.514 nan 8.360 nan 0.000 0.404 371 V N 5.005 124.738 119.914 -0.301 0.000 2.546 371 V HA 0.126 4.246 4.120 0.001 0.000 0.284 371 V C 0.060 176.030 176.094 -0.208 0.000 1.050 371 V CA -0.706 61.410 62.300 -0.307 0.000 0.981 371 V CB 1.604 33.103 31.823 -0.540 0.000 0.990 371 V HN 0.496 nan 8.190 nan 0.000 0.474 372 V N 4.172 124.025 119.914 -0.102 0.000 2.364 372 V HA 0.352 4.473 4.120 0.001 0.000 0.272 372 V C -0.229 175.871 176.094 0.010 0.000 1.036 372 V CA -0.125 62.153 62.300 -0.037 0.000 0.880 372 V CB 1.304 33.112 31.823 -0.025 0.000 0.991 372 V HN 0.923 nan 8.190 nan 0.000 0.460 373 D N 3.697 124.126 120.400 0.048 0.000 2.421 373 D HA 0.318 4.958 4.640 0.001 0.000 0.254 373 D C 0.606 176.956 176.300 0.082 0.000 1.238 373 D CA -0.435 53.625 54.000 0.101 0.000 0.919 373 D CB 1.845 42.766 40.800 0.201 0.000 1.152 373 D HN 0.530 nan 8.370 nan 0.000 0.552 374 E N 2.534 122.773 120.200 0.064 0.000 2.216 374 E HA 0.069 4.419 4.350 0.001 0.000 0.192 374 E C 1.742 178.372 176.600 0.049 0.000 0.988 374 E CA 0.536 56.965 56.400 0.048 0.000 0.834 374 E CB 0.461 30.183 29.700 0.037 0.000 0.772 374 E HN 0.562 nan 8.360 nan 0.000 0.479 375 I N 0.621 121.226 120.570 0.058 0.000 2.206 375 I HA -0.137 4.033 4.170 0.001 0.000 0.239 375 I C 1.965 178.118 176.117 0.060 0.000 1.078 375 I CA 1.125 62.457 61.300 0.053 0.000 1.367 375 I CB -0.152 37.880 38.000 0.054 0.000 1.078 375 I HN 0.001 nan 8.210 nan 0.000 0.413 376 R N 1.027 121.576 120.500 0.082 0.000 2.312 376 R HA 0.327 4.668 4.340 0.001 0.000 0.205 376 R C 0.408 176.761 176.300 0.088 0.000 0.904 376 R CA 0.465 56.614 56.100 0.082 0.000 1.052 376 R CB 0.357 30.712 30.300 0.092 0.000 1.014 376 R HN 0.439 nan 8.270 nan 0.000 0.503 377 G N 1.664 110.521 108.800 0.094 0.000 2.784 377 G HA2 -0.192 3.768 3.960 0.001 0.000 0.686 377 G HA3 -0.192 3.768 3.960 0.001 0.000 0.686 377 G C -1.068 173.912 174.900 0.133 0.000 1.156 377 G CA -1.068 44.088 45.100 0.094 0.000 0.757 377 G HN 0.110 nan 8.290 nan 0.000 0.642 378 N N 0.714 119.472 118.700 0.096 0.000 2.307 378 N HA 0.501 5.241 4.740 0.001 0.000 0.230 378 N C 0.490 176.091 175.510 0.151 0.000 1.297 378 N CA 1.237 54.333 53.050 0.077 0.000 0.884 378 N CB 0.391 38.890 38.487 0.021 0.000 1.115 378 N HN 1.188 nan 8.380 nan 0.000 0.436 379 H N -2.589 116.503 119.070 0.037 0.000 3.037 379 H HA 0.494 5.050 4.556 0.001 0.000 0.336 379 H C -1.438 173.901 175.328 0.019 0.000 1.323 379 H CA -0.925 55.146 56.048 0.038 0.000 1.159 379 H CB 0.227 30.022 29.762 0.056 0.000 1.882 379 H HN 0.261 nan 8.280 nan 0.000 0.535 380 L N 1.400 122.682 121.223 0.098 0.000 2.399 380 L HA 0.616 4.956 4.340 0.001 0.000 0.266 380 L C 0.230 177.158 176.870 0.097 0.000 1.114 380 L CA -0.350 54.497 54.840 0.012 0.000 0.804 380 L CB 1.716 43.769 42.059 -0.009 0.000 1.146 380 L HN 0.891 nan 8.230 nan 0.000 0.451 381 T N 0.565 115.121 114.554 0.003 0.000 2.792 381 T HA 0.427 4.778 4.350 0.001 0.000 0.303 381 T C -1.290 173.405 174.700 -0.007 0.000 1.310 381 T CA -0.392 61.730 62.100 0.037 0.000 1.007 381 T CB 1.792 70.718 68.868 0.096 0.000 1.335 381 T HN 0.150 nan 8.240 nan 0.000 0.504 382 V N 3.309 123.221 119.914 -0.004 0.000 2.385 382 V HA 0.555 4.675 4.120 0.001 0.000 0.269 382 V C 1.418 177.561 176.094 0.082 0.000 1.043 382 V CA 0.169 62.463 62.300 -0.010 0.000 0.906 382 V CB 0.696 32.489 31.823 -0.051 0.000 0.995 382 V HN 1.034 nan 8.190 nan 0.000 0.467 383 G N 3.703 112.521 108.800 0.030 0.000 2.481 383 G HA2 0.431 4.392 3.960 0.001 0.000 0.251 383 G HA3 0.431 4.392 3.960 0.001 0.000 0.251 383 G C 0.274 175.258 174.900 0.139 0.000 1.492 383 G CA 0.026 45.164 45.100 0.064 0.000 1.060 383 G HN 1.041 nan 8.290 nan 0.000 0.553 384 A N 0.508 123.396 122.820 0.113 0.000 2.347 384 A HA 0.550 4.870 4.320 0.001 0.000 0.287 384 A C -1.105 176.342 177.584 -0.229 0.000 1.199 384 A CA -1.059 51.011 52.037 0.055 0.000 0.851 384 A CB 0.819 20.000 19.000 0.302 0.000 1.118 384 A HN 0.353 nan 8.150 nan 0.000 0.525 385 P HA 0.009 nan 4.420 nan 0.000 0.233 385 P C -0.218 176.755 177.300 -0.545 0.000 1.167 385 P CA 0.583 63.368 63.100 -0.526 0.000 0.770 385 P CB -0.140 31.246 31.700 -0.524 0.000 0.837 386 F N 0.558 120.488 119.950 -0.033 0.000 2.410 386 F HA 0.485 5.013 4.527 0.000 0.000 0.348 386 F C 0.832 176.479 175.800 -0.255 0.000 1.106 386 F CA -1.120 56.760 58.000 -0.200 0.000 1.163 386 F CB 0.379 39.247 39.000 -0.220 0.000 1.129 386 F HN -0.422 nan 8.300 nan 0.000 0.516 387 K N 3.868 124.124 120.400 -0.240 0.000 2.244 387 K HA 0.562 4.882 4.320 0.001 0.000 0.260 387 K C -1.293 175.123 176.600 -0.307 0.000 0.951 387 K CA -0.663 55.518 56.287 -0.178 0.000 0.826 387 K CB 1.831 34.261 32.500 -0.117 0.000 1.108 387 K HN 0.510 nan 8.250 nan 0.000 0.433 388 F N -0.328 119.568 119.950 -0.091 0.000 2.561 388 F HA 0.164 4.691 4.527 0.001 0.000 0.321 388 F C 1.694 177.468 175.800 -0.043 0.000 1.065 388 F CA -0.699 57.284 58.000 -0.029 0.000 0.934 388 F CB 1.830 40.846 39.000 0.027 0.000 1.215 388 F HN 0.539 nan 8.300 nan 0.000 0.471 389 S N -0.218 115.604 115.700 0.203 0.000 2.461 389 S HA 0.037 4.507 4.470 0.001 0.000 0.228 389 S C 1.533 176.205 174.600 0.120 0.000 1.005 389 S CA 0.802 59.069 58.200 0.111 0.000 0.942 389 S CB -0.335 62.917 63.200 0.088 0.000 0.776 389 S HN 0.859 nan 8.310 nan 0.000 0.514 390 G N 0.273 109.190 108.800 0.195 0.000 3.192 390 G HA2 0.514 4.474 3.960 0.001 0.000 0.239 390 G HA3 0.514 4.474 3.960 0.001 0.000 0.239 390 G C -0.125 174.938 174.900 0.270 0.000 1.084 390 G CA -0.228 44.983 45.100 0.185 0.000 0.784 390 G HN 0.658 nan 8.290 nan 0.000 0.540 391 F N -1.452 118.524 119.950 0.043 0.000 2.807 391 F HA 0.632 5.159 4.527 0.000 0.000 0.316 391 F C -2.084 173.741 175.800 0.042 0.000 1.162 391 F CA -1.368 56.634 58.000 0.003 0.000 0.910 391 F CB 0.972 39.927 39.000 -0.076 0.000 1.314 391 F HN -0.170 nan 8.300 nan 0.000 0.454 392 Q N 2.340 122.007 119.800 -0.222 0.000 2.330 392 Q HA 0.445 4.785 4.340 0.001 0.000 0.269 392 Q C -2.807 173.185 176.000 -0.014 0.000 1.022 392 Q CA -1.886 53.757 55.803 -0.266 0.000 0.796 392 Q CB 2.187 30.874 28.738 -0.085 0.000 1.271 392 Q HN 0.406 nan 8.270 nan 0.000 0.450 393 P HA 0.030 nan 4.420 nan 0.000 0.267 393 P C -0.690 176.593 177.300 -0.029 0.000 1.200 393 P CA 0.172 63.326 63.100 0.090 0.000 0.772 393 P CB 0.573 32.265 31.700 -0.014 0.000 0.855 394 E N 1.960 122.144 120.200 -0.026 0.000 2.346 394 E HA 0.302 4.652 4.350 0.001 0.000 0.239 394 E C -0.520 176.010 176.600 -0.117 0.000 0.943 394 E CA -0.302 56.060 56.400 -0.064 0.000 0.751 394 E CB 0.128 29.822 29.700 -0.011 0.000 1.241 394 E HN 0.365 nan 8.360 nan 0.000 0.423 395 I N 2.668 123.097 120.570 -0.235 0.000 2.474 395 I HA 0.209 4.379 4.170 0.001 0.000 0.287 395 I C 0.622 176.663 176.117 -0.128 0.000 1.048 395 I CA -0.026 61.096 61.300 -0.296 0.000 1.383 395 I CB 1.059 38.718 38.000 -0.568 0.000 1.412 395 I HN 0.386 nan 8.210 nan 0.000 0.531 396 T N 2.561 117.093 114.554 -0.036 0.000 2.901 396 T HA 0.594 4.945 4.350 0.001 0.000 0.293 396 T C -0.287 174.456 174.700 0.072 0.000 1.084 396 T CA -1.237 60.871 62.100 0.014 0.000 1.008 396 T CB 1.555 70.441 68.868 0.030 0.000 1.170 396 T HN 0.664 nan 8.240 nan 0.000 0.509 397 R N 0.954 121.510 120.500 0.093 0.000 2.679 397 R HA 0.677 5.017 4.340 0.001 0.000 0.269 397 R C 0.280 176.692 176.300 0.186 0.000 1.076 397 R CA -0.634 55.561 56.100 0.159 0.000 1.160 397 R CB -0.060 30.337 30.300 0.162 0.000 1.054 397 R HN 0.820 nan 8.270 nan 0.000 0.507 398 A N 3.112 126.070 122.820 0.230 0.000 2.445 398 A HA 0.317 4.638 4.320 0.001 0.000 0.242 398 A C -1.919 175.859 177.584 0.323 0.000 1.075 398 A CA -1.439 50.741 52.037 0.237 0.000 0.777 398 A CB -0.339 18.786 19.000 0.209 0.000 1.013 398 A HN 0.738 nan 8.150 nan 0.000 0.493 399 P HA 0.314 nan 4.420 nan 0.000 0.274 399 P C -0.572 176.891 177.300 0.273 0.000 1.231 399 P CA -0.100 63.214 63.100 0.356 0.000 0.790 399 P CB 0.546 32.464 31.700 0.362 0.000 0.951 400 L N 1.237 122.545 121.223 0.143 0.000 2.468 400 L HA 0.277 4.617 4.340 0.001 0.000 0.254 400 L C 0.966 177.836 176.870 -0.001 0.000 1.171 400 L CA -1.212 53.641 54.840 0.022 0.000 0.809 400 L CB -0.034 42.019 42.059 -0.011 0.000 1.155 400 L HN 0.236 nan 8.230 nan 0.000 0.473 401 L N 2.041 123.225 121.223 -0.065 0.000 2.534 401 L HA 0.250 4.591 4.340 0.001 0.000 0.271 401 L C 1.020 177.883 176.870 -0.013 0.000 1.178 401 L CA 1.158 55.965 54.840 -0.055 0.000 0.907 401 L CB 0.045 42.048 42.059 -0.093 0.000 1.164 401 L HN 0.767 nan 8.230 nan 0.000 0.482 402 G N 2.888 111.699 108.800 0.019 0.000 2.166 402 G HA2 -0.392 3.568 3.960 0.001 0.000 0.260 402 G HA3 -0.392 3.568 3.960 0.001 0.000 0.260 402 G C 0.956 175.863 174.900 0.013 0.000 0.986 402 G CA 0.833 45.951 45.100 0.031 0.000 0.683 402 G HN 0.836 nan 8.290 nan 0.000 0.527 403 E N -0.533 119.646 120.200 -0.035 0.000 2.118 403 E HA -0.181 4.169 4.350 0.001 0.000 0.195 403 E C 1.672 178.074 176.600 -0.330 0.000 0.992 403 E CA 1.586 57.851 56.400 -0.224 0.000 0.804 403 E CB -0.093 29.372 29.700 -0.391 0.000 0.741 403 E HN 0.816 nan 8.360 nan 0.000 0.458 404 H N -1.348 117.742 119.070 0.033 0.000 2.592 404 H HA 0.213 4.769 4.556 0.001 0.000 0.279 404 H C 1.343 176.686 175.328 0.025 0.000 1.089 404 H CA 0.347 56.411 56.048 0.028 0.000 1.150 404 H CB 0.779 30.555 29.762 0.023 0.000 1.575 404 H HN 0.028 nan 8.280 nan 0.000 0.547 405 T N 0.575 115.191 114.554 0.103 0.000 2.635 405 T HA -0.180 4.170 4.350 0.001 0.000 0.267 405 T C 1.357 176.105 174.700 0.080 0.000 1.040 405 T CA 1.958 64.103 62.100 0.075 0.000 1.156 405 T CB -0.122 68.787 68.868 0.069 0.000 0.863 405 T HN 0.422 nan 8.240 nan 0.000 0.430 406 D N 0.544 121.006 120.400 0.104 0.000 2.097 406 D HA -0.068 4.573 4.640 0.001 0.000 0.197 406 D C 2.128 178.468 176.300 0.067 0.000 0.984 406 D CA 0.922 54.980 54.000 0.097 0.000 0.826 406 D CB -0.469 40.384 40.800 0.088 0.000 0.973 406 D HN 0.520 nan 8.370 nan 0.000 0.460 407 E N 0.567 120.809 120.200 0.070 0.000 2.097 407 E HA -0.169 4.181 4.350 0.001 0.000 0.196 407 E C 1.981 178.616 176.600 0.058 0.000 1.000 407 E CA 0.948 57.389 56.400 0.070 0.000 0.804 407 E CB 0.150 29.913 29.700 0.106 0.000 0.740 407 E HN 0.030 nan 8.360 nan 0.000 0.454 408 V N 1.093 121.044 119.914 0.062 0.000 2.358 408 V HA -0.243 3.877 4.120 0.001 0.000 0.246 408 V C 2.411 178.516 176.094 0.019 0.000 1.047 408 V CA 1.425 63.744 62.300 0.031 0.000 1.035 408 V CB -0.389 31.449 31.823 0.025 0.000 0.658 408 V HN 0.330 nan 8.190 nan 0.000 0.452 409 L N -0.597 120.641 121.223 0.025 0.000 2.201 409 L HA -0.161 4.179 4.340 0.001 0.000 0.212 409 L C 2.523 179.405 176.870 0.021 0.000 1.105 409 L CA 1.471 56.322 54.840 0.019 0.000 0.775 409 L CB -0.564 41.509 42.059 0.024 0.000 0.913 409 L HN 0.287 nan 8.230 nan 0.000 0.440 410 K N 0.159 120.575 120.400 0.026 0.000 2.057 410 K HA -0.147 4.174 4.320 0.001 0.000 0.206 410 K C 1.905 178.514 176.600 0.014 0.000 1.050 410 K CA 1.194 57.493 56.287 0.021 0.000 0.935 410 K CB -0.062 32.452 32.500 0.024 0.000 0.715 410 K HN 0.351 nan 8.250 nan 0.000 0.439 411 E N 0.791 120.999 120.200 0.013 0.000 2.265 411 E HA -0.156 4.194 4.350 0.001 0.000 0.196 411 E C 1.794 178.394 176.600 0.001 0.000 0.996 411 E CA 0.673 57.076 56.400 0.005 0.000 0.832 411 E CB -0.006 29.695 29.700 0.001 0.000 0.756 411 E HN 0.274 nan 8.360 nan 0.000 0.491 412 L N -0.787 120.437 121.223 0.002 0.000 2.341 412 L HA 0.074 4.414 4.340 0.001 0.000 0.214 412 L C 1.185 178.058 176.870 0.004 0.000 1.115 412 L CA 0.587 55.428 54.840 0.000 0.000 0.820 412 L CB 0.248 42.307 42.059 -0.000 0.000 0.944 412 L HN 0.293 nan 8.230 nan 0.000 0.452 413 G N 0.556 109.360 108.800 0.007 0.000 2.245 413 G HA2 -0.150 3.810 3.960 0.001 0.000 0.130 413 G HA3 -0.150 3.810 3.960 0.001 0.000 0.130 413 G C -0.643 174.263 174.900 0.011 0.000 1.040 413 G CA -0.680 44.425 45.100 0.008 0.000 0.713 413 G HN 0.052 nan 8.290 nan 0.000 0.488 414 L N 1.573 122.805 121.223 0.014 0.000 2.322 414 L HA 0.541 4.882 4.340 0.001 0.000 0.281 414 L C 0.505 177.386 176.870 0.019 0.000 1.014 414 L CA -0.697 54.153 54.840 0.017 0.000 0.815 414 L CB 1.503 43.573 42.059 0.019 0.000 1.247 414 L HN 0.442 nan 8.230 nan 0.000 0.421 415 D N 0.050 120.460 120.400 0.018 0.000 2.361 415 D HA -0.003 4.637 4.640 0.001 0.000 0.239 415 D C 0.275 176.589 176.300 0.022 0.000 1.200 415 D CA -0.426 53.584 54.000 0.017 0.000 0.915 415 D CB 0.872 41.680 40.800 0.014 0.000 1.170 415 D HN 0.451 nan 8.370 nan 0.000 0.444 416 D N 0.295 120.707 120.400 0.020 0.000 2.219 416 D HA -0.127 4.514 4.640 0.001 0.000 0.205 416 D C 1.831 178.147 176.300 0.027 0.000 0.970 416 D CA 1.164 55.178 54.000 0.023 0.000 0.851 416 D CB -0.070 40.739 40.800 0.014 0.000 0.943 416 D HN 0.573 nan 8.370 nan 0.000 0.488 417 A N 0.363 123.196 122.820 0.023 0.000 2.072 417 A HA -0.045 4.275 4.320 0.001 0.000 0.216 417 A C 2.079 179.682 177.584 0.031 0.000 1.156 417 A CA 0.669 52.721 52.037 0.025 0.000 0.701 417 A CB 0.018 19.029 19.000 0.017 0.000 0.816 417 A HN -0.029 nan 8.150 nan 0.000 0.458 418 K N 0.081 120.500 120.400 0.030 0.000 2.148 418 K HA 0.089 4.409 4.320 0.001 0.000 0.204 418 K C 1.509 178.134 176.600 0.043 0.000 1.050 418 K CA 1.069 57.375 56.287 0.031 0.000 0.942 418 K CB -0.301 32.214 32.500 0.024 0.000 0.724 418 K HN 0.544 nan 8.250 nan 0.000 0.446 419 I N 0.236 120.841 120.570 0.058 0.000 2.252 419 I HA -0.262 3.909 4.170 0.001 0.000 0.245 419 I C 2.249 178.465 176.117 0.165 0.000 1.102 419 I CA 1.058 62.419 61.300 0.102 0.000 1.385 419 I CB -0.144 37.918 38.000 0.104 0.000 1.064 419 I HN 0.128 nan 8.210 nan 0.000 0.414 420 K N 0.868 121.331 120.400 0.105 0.000 2.026 420 K HA -0.234 4.087 4.320 0.001 0.000 0.208 420 K C 2.081 178.740 176.600 0.098 0.000 1.048 420 K CA 1.543 57.885 56.287 0.092 0.000 0.929 420 K CB -0.046 32.478 32.500 0.040 0.000 0.713 420 K HN 0.241 nan 8.250 nan 0.000 0.439 421 E N 0.484 120.724 120.200 0.066 0.000 2.033 421 E HA -0.243 4.108 4.350 0.001 0.000 0.199 421 E C 2.056 178.686 176.600 0.050 0.000 1.011 421 E CA 1.617 58.046 56.400 0.048 0.000 0.815 421 E CB -0.090 29.629 29.700 0.032 0.000 0.755 421 E HN 0.249 nan 8.360 nan 0.000 0.451 422 L N 0.129 121.376 121.223 0.041 0.000 2.046 422 L HA -0.223 4.118 4.340 0.001 0.000 0.208 422 L C 2.623 179.470 176.870 -0.037 0.000 1.077 422 L CA 1.099 55.932 54.840 -0.012 0.000 0.747 422 L CB -0.629 41.398 42.059 -0.053 0.000 0.896 422 L HN 0.291 nan 8.230 nan 0.000 0.432 423 H N -0.237 118.837 119.070 0.006 0.000 2.290 423 H HA -0.171 4.385 4.556 0.001 0.000 0.298 423 H C 2.290 177.620 175.328 0.003 0.000 1.087 423 H CA 1.732 57.782 56.048 0.003 0.000 1.291 423 H CB -0.086 29.676 29.762 0.001 0.000 1.369 423 H HN 0.393 nan 8.280 nan 0.000 0.492 424 A N 1.643 124.539 122.820 0.126 0.000 1.933 424 A HA -0.147 4.173 4.320 0.001 0.000 0.218 424 A C 2.212 179.821 177.584 0.040 0.000 1.175 424 A CA 1.289 53.366 52.037 0.068 0.000 0.628 424 A CB -0.218 18.813 19.000 0.052 0.000 0.814 424 A HN 0.255 nan 8.150 nan 0.000 0.444 425 K N -0.445 119.973 120.400 0.031 0.000 2.504 425 K HA -0.063 4.257 4.320 0.001 0.000 0.195 425 K C -0.175 176.429 176.600 0.007 0.000 1.036 425 K CA 0.763 57.059 56.287 0.015 0.000 0.984 425 K CB -0.098 32.409 32.500 0.010 0.000 0.788 425 K HN 0.702 nan 8.250 nan 0.000 0.488 426 Q N -0.814 118.989 119.800 0.006 0.000 2.502 426 Q HA -0.155 4.185 4.340 0.001 0.000 0.273 426 Q C 0.655 176.645 176.000 -0.016 0.000 1.127 426 Q CA 0.467 56.270 55.803 -0.001 0.000 0.952 426 Q CB -2.443 26.299 28.738 0.007 0.000 1.333 426 Q HN 0.110 nan 8.270 nan 0.000 0.494 427 V N -1.279 118.614 119.914 -0.035 0.000 3.174 427 V HA 0.096 4.216 4.120 0.001 0.000 0.254 427 V C 0.901 176.949 176.094 -0.076 0.000 1.120 427 V CA 1.172 63.448 62.300 -0.041 0.000 1.114 427 V CB 1.177 32.979 31.823 -0.034 0.000 0.756 427 V HN 0.270 nan 8.190 nan 0.000 0.467 428 V N 0.000 119.829 119.914 -0.141 0.000 2.409 428 V HA 0.000 4.120 4.120 0.001 0.000 0.244 428 V CA 0.000 62.164 62.300 -0.226 0.000 1.235 428 V CB 0.000 31.626 31.823 -0.328 0.000 1.184 428 V HN 0.000 nan 8.190 nan 0.000 0.556