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 2f26_1_A DATA FIRST_RESID 4 DATA SEQUENCE LPVLQKESVF QSGAHAYRIP ALLYLPGQQS LLAFAEQRXX XXXXXXELIV DATA SEQUENCE LRRGDYDAPT HQVQWQAQEV VAQARLDGHR SMNPCPLYDA QTGTLFLFFI DATA SEQUENCE AIPGQVTQEQ QLQTRANVTR LCQVTSTDHG RTWSSPRDLT DAAIGPAYRE DATA SEQUENCE WSTFAVGPGH CLQLNDRARS LVVPAYAYRK LHPIQRPIPS AFCFLSHDHG DATA SEQUENCE RTWARGHFVA QDTLECQVAE VETGEQRVVT LNARSHLRAR VQAQSTNDGL DATA SEQUENCE DFQESQLVKK LVEPPPQGCQ GSVISFPSPR XXXXSPAQWL LYTHPTHSWQ DATA SEQUENCE RADLGAYLNP RPPAPEAWSE PVLLAKGSCA YSDLQSMGTG PDGSPLFGCL DATA SEQUENCE YEANDYEEIV FLMFTLKQAF PAEY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.811 176.870 -0.098 0.000 1.165 4 L CA 0.000 54.753 54.840 -0.145 0.000 0.813 4 L CB 0.000 41.919 42.059 -0.233 0.000 0.961 5 P HA 0.523 nan 4.420 nan 0.000 0.288 5 P C -0.870 176.436 177.300 0.010 0.000 1.267 5 P CA -0.359 62.730 63.100 -0.018 0.000 0.815 5 P CB 1.992 33.690 31.700 -0.004 0.000 0.989 6 V N 0.137 120.074 119.914 0.038 0.000 3.074 6 V HA 0.367 4.487 4.120 0.000 0.000 0.314 6 V C 1.099 177.263 176.094 0.116 0.000 1.117 6 V CA -0.870 61.489 62.300 0.098 0.000 1.014 6 V CB 1.685 33.559 31.823 0.086 0.000 1.057 6 V HN 0.400 nan 8.190 nan 0.000 0.438 7 L N -0.002 121.314 121.223 0.155 0.000 2.209 7 L HA 0.346 4.686 4.340 0.000 0.000 0.207 7 L C 1.074 178.040 176.870 0.160 0.000 1.094 7 L CA 1.043 55.994 54.840 0.185 0.000 0.790 7 L CB 0.068 42.266 42.059 0.231 0.000 0.932 7 L HN 0.913 nan 8.230 nan 0.000 0.447 8 Q N -0.053 119.830 119.800 0.139 0.000 2.386 8 Q HA 0.305 4.645 4.340 0.000 0.000 0.274 8 Q C -1.477 174.586 176.000 0.106 0.000 1.011 8 Q CA -0.637 55.254 55.803 0.147 0.000 0.867 8 Q CB 2.289 31.177 28.738 0.250 0.000 1.409 8 Q HN -0.091 nan 8.270 nan 0.000 0.395 9 K N 2.759 123.232 120.400 0.123 0.000 2.668 9 K HA 0.358 4.678 4.320 0.000 0.000 0.246 9 K C -1.925 174.746 176.600 0.119 0.000 0.976 9 K CA -0.204 56.145 56.287 0.103 0.000 0.902 9 K CB 1.578 34.125 32.500 0.079 0.000 1.172 9 K HN 0.646 nan 8.250 nan 0.000 0.452 10 E N 2.563 122.853 120.200 0.149 0.000 2.290 10 E HA 0.156 4.506 4.350 0.000 0.000 0.274 10 E C -1.580 175.015 176.600 -0.009 0.000 0.889 10 E CA -0.568 55.891 56.400 0.099 0.000 0.760 10 E CB 2.068 31.883 29.700 0.191 0.000 1.206 10 E HN 0.429 nan 8.360 nan 0.000 0.419 11 S N 3.115 118.772 115.700 -0.072 0.000 2.455 11 S HA 0.070 4.540 4.470 0.000 0.000 0.278 11 S C 0.525 174.970 174.600 -0.258 0.000 1.216 11 S CA -0.239 57.875 58.200 -0.142 0.000 1.055 11 S CB 1.017 64.155 63.200 -0.103 0.000 0.939 11 S HN 0.475 nan 8.310 nan 0.000 0.494 12 V N 6.619 126.286 119.914 -0.411 0.000 3.354 12 V HA 0.452 4.572 4.120 0.000 0.000 0.258 12 V C -0.824 174.650 176.094 -1.034 0.000 1.159 12 V CA 0.735 62.551 62.300 -0.808 0.000 1.125 12 V CB -0.268 30.838 31.823 -1.196 0.000 0.774 12 V HN 0.775 nan 8.190 nan 0.000 0.464 13 F N 0.166 119.904 119.950 -0.354 0.000 2.569 13 F HA 0.719 5.246 4.527 0.000 0.000 0.312 13 F C -0.193 175.477 175.800 -0.216 0.000 1.109 13 F CA -0.779 56.949 58.000 -0.453 0.000 0.919 13 F CB 2.088 40.749 39.000 -0.565 0.000 1.211 13 F HN -0.054 nan 8.300 nan 0.000 0.446 14 Q N 1.369 121.212 119.800 0.071 0.000 2.345 14 Q HA 0.701 5.041 4.340 0.000 0.000 0.275 14 Q C -1.343 174.818 176.000 0.270 0.000 1.063 14 Q CA -1.104 54.782 55.803 0.139 0.000 0.819 14 Q CB 2.868 31.625 28.738 0.032 0.000 1.356 14 Q HN 0.547 nan 8.270 nan 0.000 0.418 15 S N 0.030 115.825 115.700 0.159 0.000 2.584 15 S HA 0.383 4.853 4.470 0.000 0.000 0.282 15 S C 0.311 174.848 174.600 -0.105 0.000 1.138 15 S CA -0.029 58.205 58.200 0.056 0.000 0.987 15 S CB 0.786 63.998 63.200 0.020 0.000 1.137 15 S HN 0.839 nan 8.310 nan 0.000 0.457 16 G N 2.587 111.314 108.800 -0.121 0.000 2.509 16 G HA2 0.180 4.140 3.960 0.000 0.000 0.218 16 G HA3 0.180 4.140 3.960 0.000 0.000 0.218 16 G C 1.033 175.718 174.900 -0.359 0.000 1.124 16 G CA 0.635 45.608 45.100 -0.211 0.000 0.776 16 G HN 1.096 nan 8.290 nan 0.000 0.547 17 A N 0.013 122.688 122.820 -0.242 0.000 2.379 17 A HA 0.427 4.747 4.320 0.000 0.000 0.236 17 A C 0.740 178.302 177.584 -0.036 0.000 1.272 17 A CA 0.211 52.174 52.037 -0.123 0.000 0.886 17 A CB -0.434 18.533 19.000 -0.055 0.000 0.962 17 A HN 0.540 nan 8.150 nan 0.000 0.504 18 H N -2.468 116.592 119.070 -0.015 0.000 2.770 18 H HA -0.247 4.309 4.556 0.000 0.000 0.309 18 H C 1.337 176.607 175.328 -0.097 0.000 1.206 18 H CA 0.534 56.578 56.048 -0.007 0.000 1.147 18 H CB -1.874 27.891 29.762 0.006 0.000 1.422 18 H HN 0.568 nan 8.280 nan 0.000 0.420 19 A N -0.959 121.775 122.820 -0.143 0.000 2.014 19 A HA 0.022 4.342 4.320 0.000 0.000 0.218 19 A C 0.368 177.654 177.584 -0.498 0.000 1.163 19 A CA 0.909 52.722 52.037 -0.373 0.000 0.652 19 A CB 0.086 18.731 19.000 -0.592 0.000 0.808 19 A HN 0.382 nan 8.150 nan 0.000 0.449 20 Y N -0.368 119.913 120.300 -0.033 0.000 2.331 20 Y HA 0.697 5.247 4.550 0.000 0.000 0.338 20 Y C 0.641 176.496 175.900 -0.076 0.000 0.992 20 Y CA -0.625 57.411 58.100 -0.106 0.000 1.121 20 Y CB 1.071 39.449 38.460 -0.137 0.000 1.184 20 Y HN 0.125 nan 8.280 nan 0.000 0.469 21 R N 1.818 122.331 120.500 0.021 0.000 2.766 21 R HA 0.519 4.859 4.340 0.000 0.000 0.270 21 R C -1.385 174.897 176.300 -0.031 0.000 1.035 21 R CA -1.121 54.974 56.100 -0.010 0.000 0.911 21 R CB 2.001 32.250 30.300 -0.085 0.000 1.243 21 R HN 0.589 nan 8.270 nan 0.000 0.460 22 I N 0.387 120.941 120.570 -0.027 0.000 7.141 22 I HA -0.141 4.029 4.170 0.000 0.000 0.126 22 I C -2.328 173.864 176.117 0.125 0.000 1.833 22 I CA -0.119 61.223 61.300 0.071 0.000 2.047 22 I CB -2.027 36.006 38.000 0.056 0.000 3.597 22 I HN 0.486 nan 8.210 nan 0.000 0.172 23 P HA 0.495 nan 4.420 nan 0.000 0.275 23 P C -0.389 177.075 177.300 0.273 0.000 1.228 23 P CA -0.114 63.106 63.100 0.200 0.000 0.786 23 P CB 2.103 33.937 31.700 0.223 0.000 0.927 24 A N 2.918 125.935 122.820 0.328 0.000 2.427 24 A HA 0.629 4.949 4.320 0.000 0.000 0.298 24 A C -1.618 176.265 177.584 0.498 0.000 1.036 24 A CA -0.618 51.657 52.037 0.396 0.000 0.701 24 A CB 1.151 20.358 19.000 0.346 0.000 1.250 24 A HN 0.502 nan 8.150 nan 0.000 0.412 25 L N 2.190 123.698 121.223 0.476 0.000 2.365 25 L HA 0.887 5.227 4.340 0.000 0.000 0.273 25 L C -1.522 175.628 176.870 0.468 0.000 1.000 25 L CA -0.710 54.407 54.840 0.463 0.000 0.819 25 L CB 1.830 44.139 42.059 0.417 0.000 1.284 25 L HN 0.725 nan 8.230 nan 0.000 0.418 26 L N 4.714 126.218 121.223 0.468 0.000 2.438 26 L HA 0.492 4.832 4.340 0.000 0.000 0.270 26 L C -1.825 175.259 176.870 0.356 0.000 0.972 26 L CA -0.313 54.792 54.840 0.442 0.000 0.831 26 L CB 1.624 44.009 42.059 0.543 0.000 1.273 26 L HN 0.601 nan 8.230 nan 0.000 0.405 27 Y N 5.278 125.676 120.300 0.163 0.000 2.320 27 Y HA 0.643 5.193 4.550 0.000 0.000 0.334 27 Y C -1.113 174.753 175.900 -0.056 0.000 1.055 27 Y CA -0.788 57.340 58.100 0.047 0.000 1.143 27 Y CB 1.148 39.617 38.460 0.015 0.000 1.193 27 Y HN 0.536 nan 8.280 nan 0.000 0.477 28 L N 9.566 130.324 121.223 -0.774 0.000 2.277 28 L HA 0.331 4.671 4.340 0.000 0.000 0.284 28 L C -1.592 174.580 176.870 -1.163 0.000 1.028 28 L CA -1.786 52.565 54.840 -0.816 0.000 0.835 28 L CB 1.566 43.350 42.059 -0.458 0.000 1.215 28 L HN 0.568 nan 8.230 nan 0.000 0.425 29 P HA -0.123 nan 4.420 nan 0.000 0.218 29 P C 1.275 178.394 177.300 -0.302 0.000 1.149 29 P CA 1.239 64.043 63.100 -0.494 0.000 0.817 29 P CB 0.483 32.089 31.700 -0.157 0.000 0.785 30 G N 0.149 108.773 108.800 -0.295 0.000 2.395 30 G HA2 -0.175 3.785 3.960 0.000 0.000 0.214 30 G HA3 -0.175 3.785 3.960 0.000 0.000 0.214 30 G C 1.667 176.433 174.900 -0.224 0.000 1.177 30 G CA 0.358 45.355 45.100 -0.172 0.000 0.794 30 G HN 0.187 nan 8.290 nan 0.000 0.532 31 Q N -0.056 119.541 119.800 -0.339 0.000 2.297 31 Q HA 0.010 4.350 4.340 0.000 0.000 0.204 31 Q C 0.585 176.434 176.000 -0.252 0.000 0.962 31 Q CA 0.391 55.995 55.803 -0.333 0.000 0.879 31 Q CB -0.053 28.432 28.738 -0.422 0.000 0.947 31 Q HN 0.644 nan 8.270 nan 0.000 0.462 32 Q N 0.338 119.945 119.800 -0.322 0.000 2.460 32 Q HA -0.121 4.219 4.340 0.000 0.000 0.311 32 Q C -0.826 175.103 176.000 -0.118 0.000 1.396 32 Q CA 0.319 56.015 55.803 -0.178 0.000 0.838 32 Q CB -1.606 27.159 28.738 0.045 0.000 1.140 32 Q HN 0.126 nan 8.270 nan 0.000 0.415 33 S N -0.334 115.188 115.700 -0.296 0.000 2.661 33 S HA 0.838 5.308 4.470 0.000 0.000 0.285 33 S C -0.540 173.972 174.600 -0.147 0.000 1.138 33 S CA -0.864 57.223 58.200 -0.188 0.000 0.855 33 S CB 1.891 64.972 63.200 -0.197 0.000 1.136 33 S HN 0.306 nan 8.310 nan 0.000 0.484 34 L N 1.332 122.482 121.223 -0.122 0.000 2.354 34 L HA 0.628 4.968 4.340 0.000 0.000 0.269 34 L C -1.360 175.549 176.870 0.066 0.000 1.005 34 L CA -0.716 54.139 54.840 0.025 0.000 0.819 34 L CB 1.471 43.543 42.059 0.022 0.000 1.311 34 L HN 0.380 nan 8.230 nan 0.000 0.423 35 L N 2.425 123.747 121.223 0.164 0.000 2.319 35 L HA 0.643 4.983 4.340 0.000 0.000 0.281 35 L C -0.281 176.603 176.870 0.023 0.000 1.005 35 L CA -0.529 54.332 54.840 0.035 0.000 0.828 35 L CB 1.831 43.914 42.059 0.041 0.000 1.227 35 L HN 0.654 nan 8.230 nan 0.000 0.415 36 A N 4.325 127.139 122.820 -0.010 0.000 2.258 36 A HA 0.768 5.088 4.320 0.000 0.000 0.316 36 A C -0.966 176.594 177.584 -0.040 0.000 1.279 36 A CA -0.256 51.816 52.037 0.058 0.000 0.876 36 A CB 0.176 19.113 19.000 -0.105 0.000 1.170 36 A HN 0.507 nan 8.150 nan 0.000 0.520 37 F N 1.483 121.562 119.950 0.215 0.000 2.483 37 F HA 0.784 5.311 4.527 0.000 0.000 0.329 37 F C 0.657 176.421 175.800 -0.059 0.000 1.064 37 F CA 0.049 58.103 58.000 0.090 0.000 0.986 37 F CB 2.255 41.296 39.000 0.069 0.000 1.218 37 F HN 0.761 nan 8.300 nan 0.000 0.484 38 A N 0.996 123.795 122.820 -0.035 0.000 2.601 38 A HA 0.573 4.893 4.320 0.000 0.000 0.291 38 A C -1.465 176.043 177.584 -0.127 0.000 1.075 38 A CA -0.893 51.004 52.037 -0.234 0.000 0.671 38 A CB 1.188 19.674 19.000 -0.857 0.000 1.277 38 A HN 0.704 nan 8.150 nan 0.000 0.417 39 E N 0.666 120.820 120.200 -0.077 0.000 2.249 39 E HA 0.383 4.733 4.350 0.000 0.000 0.280 39 E C -0.620 175.953 176.600 -0.045 0.000 1.016 39 E CA -0.330 56.040 56.400 -0.050 0.000 0.830 39 E CB 1.412 31.086 29.700 -0.042 0.000 1.081 39 E HN 0.503 nan 8.360 nan 0.000 0.395 40 Q N 4.023 123.790 119.800 -0.055 0.000 2.357 40 Q HA 0.252 4.592 4.340 0.000 0.000 0.266 40 Q C -0.668 175.232 176.000 -0.166 0.000 1.021 40 Q CA -0.540 55.176 55.803 -0.144 0.000 0.784 40 Q CB 0.918 29.641 28.738 -0.025 0.000 1.243 40 Q HN 0.452 nan 8.270 nan 0.000 0.465 51 L N 1.323 122.515 121.223 -0.051 0.000 2.250 51 L HA 0.736 5.076 4.340 0.000 0.000 0.252 51 L C -0.880 175.943 176.870 -0.079 0.000 1.054 51 L CA -0.963 53.834 54.840 -0.071 0.000 0.856 51 L CB 0.874 42.898 42.059 -0.058 0.000 1.443 51 L HN 0.498 nan 8.230 nan 0.000 0.427 52 I N 1.789 122.286 120.570 -0.122 0.000 2.377 52 I HA 0.604 4.774 4.170 0.000 0.000 0.293 52 I C -0.174 175.925 176.117 -0.029 0.000 0.987 52 I CA -1.009 60.234 61.300 -0.094 0.000 1.185 52 I CB 1.819 39.704 38.000 -0.192 0.000 1.341 52 I HN 0.623 nan 8.210 nan 0.000 0.455 53 V N 4.794 124.721 119.914 0.022 0.000 2.994 53 V HA 0.781 4.901 4.120 0.000 0.000 0.318 53 V C -0.807 175.351 176.094 0.106 0.000 1.085 53 V CA -0.787 61.555 62.300 0.069 0.000 0.998 53 V CB 2.089 33.980 31.823 0.113 0.000 1.063 53 V HN 0.615 nan 8.190 nan 0.000 0.447 54 L N 1.505 122.796 121.223 0.113 0.000 2.466 54 L HA 0.779 5.119 4.340 0.000 0.000 0.258 54 L C -0.806 176.096 176.870 0.052 0.000 0.973 54 L CA -0.490 54.356 54.840 0.010 0.000 0.826 54 L CB 2.325 44.314 42.059 -0.118 0.000 1.372 54 L HN 0.857 nan 8.230 nan 0.000 0.409 55 R N 3.026 123.529 120.500 0.005 0.000 2.532 55 R HA 0.584 4.924 4.340 0.000 0.000 0.297 55 R C -1.131 175.259 176.300 0.150 0.000 0.984 55 R CA -0.862 55.247 56.100 0.016 0.000 0.884 55 R CB 2.249 32.425 30.300 -0.206 0.000 1.182 55 R HN 0.767 nan 8.270 nan 0.000 0.442 56 R N 0.535 121.117 120.500 0.137 0.000 2.486 56 R HA 0.739 5.079 4.340 0.000 0.000 0.286 56 R C -0.338 175.967 176.300 0.010 0.000 0.999 56 R CA -0.843 55.310 56.100 0.087 0.000 0.993 56 R CB 1.560 31.874 30.300 0.023 0.000 1.084 56 R HN 0.613 nan 8.270 nan 0.000 0.487 57 G N 1.557 110.171 108.800 -0.311 0.000 2.741 57 G HA2 0.294 4.254 3.960 0.000 0.000 0.293 57 G HA3 0.294 4.254 3.960 0.000 0.000 0.293 57 G C -1.603 172.968 174.900 -0.549 0.000 1.457 57 G CA -0.654 44.005 45.100 -0.735 0.000 1.098 57 G HN 0.538 nan 8.290 nan 0.000 0.536 58 D N 0.404 120.576 120.400 -0.380 0.000 2.210 58 D HA 0.256 4.896 4.640 0.000 0.000 0.249 58 D C -0.515 175.674 176.300 -0.186 0.000 1.062 58 D CA -0.045 53.816 54.000 -0.231 0.000 0.891 58 D CB 1.654 42.352 40.800 -0.170 0.000 1.186 58 D HN 0.332 nan 8.370 nan 0.000 0.432 59 Y N 1.595 121.781 120.300 -0.190 0.000 2.531 59 Y HA 0.143 4.693 4.550 0.000 0.000 0.347 59 Y C -0.190 175.651 175.900 -0.098 0.000 1.024 59 Y CA -0.672 57.355 58.100 -0.122 0.000 1.306 59 Y CB 0.380 38.827 38.460 -0.022 0.000 1.149 59 Y HN 0.204 nan 8.280 nan 0.000 0.527 60 D N 5.358 125.472 120.400 -0.476 0.000 2.411 60 D HA 0.359 4.999 4.640 0.000 0.000 0.225 60 D C 0.883 176.797 176.300 -0.644 0.000 1.156 60 D CA 0.455 54.200 54.000 -0.424 0.000 0.874 60 D CB 0.954 41.582 40.800 -0.287 0.000 1.034 60 D HN 0.741 nan 8.370 nan 0.000 0.502 61 A N 5.307 127.794 122.820 -0.556 0.000 1.892 61 A HA -0.120 4.200 4.320 0.000 0.000 0.218 61 A C -0.255 177.205 177.584 -0.206 0.000 1.188 61 A CA 1.114 52.899 52.037 -0.420 0.000 0.631 61 A CB -1.428 17.497 19.000 -0.126 0.000 0.822 61 A HN 0.565 nan 8.150 nan 0.000 0.447 62 P HA -0.131 nan 4.420 nan 0.000 0.217 62 P C 1.296 178.567 177.300 -0.047 0.000 1.148 62 P CA 2.091 65.148 63.100 -0.072 0.000 0.828 62 P CB -0.125 31.527 31.700 -0.079 0.000 0.783 63 T N -5.554 108.911 114.554 -0.149 0.000 3.044 63 T HA 0.031 4.381 4.350 0.000 0.000 0.260 63 T C 0.561 174.919 174.700 -0.571 0.000 1.019 63 T CA -0.249 61.698 62.100 -0.256 0.000 0.921 63 T CB -1.018 67.698 68.868 -0.253 0.000 1.053 63 T HN 0.327 nan 8.240 nan 0.000 0.533 64 H N 0.335 119.252 119.070 -0.255 0.000 2.527 64 H HA -0.161 4.395 4.556 0.000 0.000 0.321 64 H C -0.633 174.662 175.328 -0.056 0.000 1.092 64 H CA 0.827 56.738 56.048 -0.228 0.000 1.118 64 H CB -2.230 27.542 29.762 0.017 0.000 1.536 64 H HN 0.558 nan 8.280 nan 0.000 0.407 65 Q N -0.141 119.513 119.800 -0.243 0.000 2.379 65 Q HA 0.627 4.967 4.340 0.000 0.000 0.278 65 Q C -1.083 174.864 176.000 -0.089 0.000 1.068 65 Q CA -0.878 54.879 55.803 -0.078 0.000 0.816 65 Q CB 2.696 31.349 28.738 -0.141 0.000 1.387 65 Q HN 0.287 nan 8.270 nan 0.000 0.413 66 V N 3.702 123.606 119.914 -0.016 0.000 2.432 66 V HA 0.256 4.376 4.120 0.000 0.000 0.275 66 V C -0.512 175.301 176.094 -0.468 0.000 1.043 66 V CA -0.327 61.784 62.300 -0.315 0.000 0.925 66 V CB 1.353 32.810 31.823 -0.611 0.000 0.985 66 V HN 0.710 nan 8.190 nan 0.000 0.466 67 Q N 4.651 124.185 119.800 -0.444 0.000 2.456 67 Q HA 0.246 4.586 4.340 0.000 0.000 0.234 67 Q C -1.121 174.665 176.000 -0.356 0.000 1.061 67 Q CA -0.196 55.427 55.803 -0.299 0.000 0.896 67 Q CB 0.809 29.431 28.738 -0.194 0.000 1.233 67 Q HN 0.699 nan 8.270 nan 0.000 0.506 68 W N 2.527 123.744 121.300 -0.138 0.000 2.253 68 W HA 0.108 4.768 4.660 -0.000 0.000 0.322 68 W C 0.710 177.143 176.519 -0.142 0.000 1.342 68 W CA -0.243 56.997 57.345 -0.175 0.000 1.218 68 W CB 0.543 29.865 29.460 -0.230 0.000 1.205 68 W HN 0.441 nan 8.180 nan 0.000 0.551 69 Q N 1.970 121.835 119.800 0.109 0.000 2.222 69 Q HA 0.592 4.932 4.340 0.000 0.000 0.211 69 Q C 0.178 176.195 176.000 0.029 0.000 1.013 69 Q CA -0.956 54.870 55.803 0.039 0.000 0.993 69 Q CB 0.757 29.502 28.738 0.012 0.000 1.151 69 Q HN 0.599 nan 8.270 nan 0.000 0.544 70 A N 1.011 123.835 122.820 0.007 0.000 2.498 70 A HA -0.019 4.301 4.320 0.000 0.000 0.239 70 A C -0.053 177.529 177.584 -0.005 0.000 1.068 70 A CA 0.023 52.056 52.037 -0.007 0.000 0.766 70 A CB 0.087 19.088 19.000 0.002 0.000 1.003 70 A HN 0.664 nan 8.150 nan 0.000 0.497 71 Q N 0.926 120.711 119.800 -0.025 0.000 2.361 71 Q HA 0.274 4.614 4.340 0.000 0.000 0.276 71 Q C -0.135 175.897 176.000 0.052 0.000 1.022 71 Q CA 0.511 56.319 55.803 0.009 0.000 0.898 71 Q CB 0.329 29.075 28.738 0.013 0.000 1.246 71 Q HN 0.804 nan 8.270 nan 0.000 0.410 72 E N 1.004 121.251 120.200 0.078 0.000 2.366 72 E HA 0.432 4.782 4.350 0.000 0.000 0.278 72 E C -1.424 175.226 176.600 0.084 0.000 0.923 72 E CA -1.002 55.445 56.400 0.079 0.000 0.761 72 E CB 1.447 31.196 29.700 0.082 0.000 1.231 72 E HN 0.338 nan 8.360 nan 0.000 0.443 73 V N 2.000 121.955 119.914 0.069 0.000 2.583 73 V HA 0.084 4.204 4.120 0.000 0.000 0.287 73 V C 0.144 176.252 176.094 0.023 0.000 1.051 73 V CA -0.657 61.669 62.300 0.043 0.000 1.010 73 V CB 1.473 33.315 31.823 0.031 0.000 0.988 73 V HN 0.588 nan 8.190 nan 0.000 0.478 74 V N 5.850 125.744 119.914 -0.034 0.000 2.153 74 V HA 0.129 4.249 4.120 0.000 0.000 0.250 74 V C 1.479 177.496 176.094 -0.128 0.000 1.334 74 V CA 0.570 62.798 62.300 -0.120 0.000 1.249 74 V CB -0.176 31.469 31.823 -0.297 0.000 1.371 74 V HN 1.086 nan 8.190 nan 0.000 0.498 75 A N 2.989 125.788 122.820 -0.035 0.000 1.986 75 A HA -0.204 4.116 4.320 0.000 0.000 0.220 75 A C 2.126 179.690 177.584 -0.034 0.000 1.171 75 A CA 1.463 53.487 52.037 -0.022 0.000 0.640 75 A CB -0.189 18.825 19.000 0.023 0.000 0.811 75 A HN 0.657 nan 8.150 nan 0.000 0.451 76 Q N -0.724 119.063 119.800 -0.021 0.000 2.230 76 Q HA 0.050 4.390 4.340 0.000 0.000 0.202 76 Q C 1.385 177.349 176.000 -0.060 0.000 0.963 76 Q CA 0.968 56.777 55.803 0.009 0.000 0.866 76 Q CB -0.474 28.328 28.738 0.106 0.000 0.931 76 Q HN 0.605 nan 8.270 nan 0.000 0.452 77 A N 1.832 124.491 122.820 -0.268 0.000 3.051 77 A HA 0.265 4.585 4.320 0.000 0.000 0.257 77 A C 0.152 177.352 177.584 -0.640 0.000 1.785 77 A CA 0.082 51.712 52.037 -0.677 0.000 1.420 77 A CB -0.656 17.721 19.000 -1.038 0.000 1.063 77 A HN 0.164 nan 8.150 nan 0.000 0.630 78 R N 0.293 120.725 120.500 -0.113 0.000 2.687 78 R HA 0.550 4.890 4.340 0.000 0.000 0.265 78 R C -2.103 174.265 176.300 0.114 0.000 1.048 78 R CA -0.709 55.408 56.100 0.028 0.000 0.884 78 R CB 0.890 31.170 30.300 -0.035 0.000 1.258 78 R HN 0.346 nan 8.270 nan 0.000 0.469 79 L N 2.593 123.879 121.223 0.105 0.000 2.334 79 L HA 0.432 4.772 4.340 0.000 0.000 0.276 79 L C -0.439 176.486 176.870 0.093 0.000 1.014 79 L CA -1.180 53.665 54.840 0.008 0.000 0.815 79 L CB 1.904 43.801 42.059 -0.270 0.000 1.268 79 L HN 0.643 nan 8.230 nan 0.000 0.428 80 D N 2.328 122.783 120.400 0.091 0.000 2.533 80 D HA 0.076 4.716 4.640 0.000 0.000 0.236 80 D C 1.156 177.603 176.300 0.244 0.000 1.137 80 D CA 1.300 55.376 54.000 0.127 0.000 0.867 80 D CB 1.026 41.878 40.800 0.087 0.000 1.170 80 D HN 0.887 nan 8.370 nan 0.000 0.474 81 G N 1.771 110.668 108.800 0.161 0.000 2.153 81 G HA2 -0.259 3.701 3.960 0.000 0.000 0.252 81 G HA3 -0.259 3.701 3.960 0.000 0.000 0.252 81 G C 0.004 174.928 174.900 0.040 0.000 0.994 81 G CA 0.519 45.678 45.100 0.099 0.000 0.698 81 G HN 0.675 nan 8.290 nan 0.000 0.521 82 H N -0.946 118.142 119.070 0.029 0.000 2.731 82 H HA 0.739 5.295 4.556 0.000 0.000 0.368 82 H C 0.474 175.820 175.328 0.029 0.000 1.168 82 H CA -0.756 55.313 56.048 0.035 0.000 1.181 82 H CB 0.998 30.796 29.762 0.059 0.000 1.743 82 H HN 0.270 nan 8.280 nan 0.000 0.547 83 R N 0.923 121.505 120.500 0.136 0.000 2.368 83 R HA 0.539 4.879 4.340 0.000 0.000 0.302 83 R C -0.638 175.727 176.300 0.109 0.000 1.002 83 R CA -0.631 55.514 56.100 0.074 0.000 0.929 83 R CB 1.428 31.742 30.300 0.024 0.000 1.073 83 R HN 0.481 nan 8.270 nan 0.000 0.464 84 S N 4.024 119.762 115.700 0.064 0.000 2.489 84 S HA 0.607 5.078 4.470 0.000 0.000 0.291 84 S C -0.052 174.575 174.600 0.045 0.000 1.151 84 S CA -0.754 57.493 58.200 0.079 0.000 1.082 84 S CB 1.122 64.257 63.200 -0.109 0.000 1.019 84 S HN 0.552 nan 8.310 nan 0.000 0.492 85 M N 0.768 120.433 119.600 0.108 0.000 2.813 85 M HA 0.623 5.103 4.480 0.000 0.000 0.270 85 M C -1.349 175.019 176.300 0.114 0.000 1.267 85 M CA -0.890 54.452 55.300 0.071 0.000 0.822 85 M CB 0.959 33.588 32.600 0.048 0.000 1.671 85 M HN 0.397 nan 8.290 nan 0.000 0.468 86 N N 0.259 119.018 118.700 0.098 0.000 2.681 86 N HA -0.088 4.652 4.740 0.000 0.000 0.259 86 N C -2.695 172.893 175.510 0.130 0.000 1.066 86 N CA 0.697 53.823 53.050 0.128 0.000 0.717 86 N CB -1.292 37.272 38.487 0.129 0.000 0.885 86 N HN 0.561 nan 8.380 nan 0.000 0.547 87 P HA 0.059 nan 4.420 nan 0.000 0.264 87 P C -0.178 177.149 177.300 0.045 0.000 1.193 87 P CA 0.175 63.270 63.100 -0.010 0.000 0.763 87 P CB 0.968 32.613 31.700 -0.091 0.000 0.810 88 C N 7.146 126.487 119.300 0.068 0.000 2.978 88 C HA 0.418 4.878 4.460 0.000 0.000 0.274 88 C C -2.544 172.583 174.990 0.228 0.000 1.087 88 C CA -2.254 56.870 59.018 0.176 0.000 1.453 88 C CB 0.558 28.435 27.740 0.228 0.000 1.838 88 C HN 0.471 nan 8.230 nan 0.000 0.470 89 P HA 0.577 nan 4.420 nan 0.000 0.284 89 P C -1.220 176.331 177.300 0.418 0.000 1.258 89 P CA -0.399 62.844 63.100 0.237 0.000 0.824 89 P CB 2.141 33.959 31.700 0.197 0.000 1.038 90 L N 2.723 124.231 121.223 0.474 0.000 2.505 90 L HA 0.500 4.840 4.340 0.000 0.000 0.259 90 L C -1.903 175.301 176.870 0.557 0.000 0.952 90 L CA -1.140 54.002 54.840 0.504 0.000 0.840 90 L CB 1.841 44.188 42.059 0.481 0.000 1.358 90 L HN 0.339 nan 8.230 nan 0.000 0.409 91 Y N 3.559 124.085 120.300 0.378 0.000 2.331 91 Y HA 0.522 5.072 4.550 0.000 0.000 0.338 91 Y C -0.683 175.409 175.900 0.321 0.000 0.976 91 Y CA -0.598 57.702 58.100 0.332 0.000 1.137 91 Y CB 1.101 39.715 38.460 0.257 0.000 1.172 91 Y HN 0.699 nan 8.280 nan 0.000 0.478 92 D N 5.195 125.475 120.400 -0.200 0.000 2.380 92 D HA 0.252 4.892 4.640 0.000 0.000 0.230 92 D C 0.675 176.614 176.300 -0.603 0.000 1.154 92 D CA 0.362 54.267 54.000 -0.159 0.000 0.859 92 D CB 1.616 42.553 40.800 0.228 0.000 1.045 92 D HN 0.873 nan 8.370 nan 0.000 0.495 93 A N 3.964 126.506 122.820 -0.462 0.000 2.070 93 A HA -0.190 4.130 4.320 0.000 0.000 0.220 93 A C 1.889 179.428 177.584 -0.074 0.000 1.159 93 A CA 1.207 53.077 52.037 -0.278 0.000 0.656 93 A CB -0.263 18.780 19.000 0.071 0.000 0.800 93 A HN 0.698 nan 8.150 nan 0.000 0.453 94 Q N -0.593 119.198 119.800 -0.015 0.000 2.137 94 Q HA -0.115 4.225 4.340 0.000 0.000 0.198 94 Q C 1.972 177.943 176.000 -0.049 0.000 0.960 94 Q CA 1.883 57.696 55.803 0.017 0.000 0.847 94 Q CB -0.003 28.801 28.738 0.111 0.000 0.915 94 Q HN 0.753 nan 8.270 nan 0.000 0.448 95 T N -5.411 109.096 114.554 -0.079 0.000 2.990 95 T HA 0.325 4.675 4.350 0.000 0.000 0.249 95 T C 1.305 175.975 174.700 -0.051 0.000 1.039 95 T CA 0.662 62.712 62.100 -0.083 0.000 1.036 95 T CB 0.819 69.626 68.868 -0.100 0.000 0.994 95 T HN 0.438 nan 8.240 nan 0.000 0.489 96 G N 1.226 109.972 108.800 -0.089 0.000 2.176 96 G HA2 -0.241 3.719 3.960 0.000 0.000 0.253 96 G HA3 -0.241 3.719 3.960 0.000 0.000 0.253 96 G C 0.233 175.156 174.900 0.038 0.000 0.979 96 G CA 0.215 45.325 45.100 0.016 0.000 0.641 96 G HN 0.749 nan 8.290 nan 0.000 0.530 97 T N 1.837 116.375 114.554 -0.028 0.000 2.919 97 T HA 0.539 4.889 4.350 0.000 0.000 0.302 97 T C 0.655 175.380 174.700 0.042 0.000 1.031 97 T CA 0.110 62.174 62.100 -0.061 0.000 1.127 97 T CB 1.238 70.018 68.868 -0.146 0.000 0.952 97 T HN 0.337 nan 8.240 nan 0.000 0.540 98 L N 2.992 124.210 121.223 -0.007 0.000 2.309 98 L HA 0.575 4.915 4.340 0.000 0.000 0.282 98 L C -0.724 176.204 176.870 0.097 0.000 1.036 98 L CA -0.762 54.200 54.840 0.203 0.000 0.806 98 L CB 0.951 43.151 42.059 0.235 0.000 1.220 98 L HN 0.575 nan 8.230 nan 0.000 0.429 99 F N 3.209 123.288 119.950 0.216 0.000 2.482 99 F HA 0.465 4.992 4.527 0.000 0.000 0.331 99 F C -0.263 175.508 175.800 -0.048 0.000 1.115 99 F CA -0.695 57.304 58.000 -0.003 0.000 0.955 99 F CB 2.009 40.882 39.000 -0.212 0.000 1.136 99 F HN 0.196 nan 8.300 nan 0.000 0.452 100 L N 5.192 126.404 121.223 -0.018 0.000 2.353 100 L HA 0.559 4.899 4.340 0.000 0.000 0.270 100 L C -1.510 175.294 176.870 -0.110 0.000 1.003 100 L CA -0.381 54.365 54.840 -0.156 0.000 0.862 100 L CB -0.074 41.704 42.059 -0.467 0.000 1.221 100 L HN 0.321 nan 8.230 nan 0.000 0.430 101 F N 5.524 125.560 119.950 0.142 0.000 2.375 101 F HA 0.677 5.204 4.527 0.000 0.000 0.333 101 F C 0.211 176.100 175.800 0.149 0.000 1.104 101 F CA 0.001 58.047 58.000 0.077 0.000 1.149 101 F CB 1.034 40.028 39.000 -0.010 0.000 1.190 101 F HN 0.472 nan 8.300 nan 0.000 0.533 102 F N 0.479 120.494 119.950 0.109 0.000 2.779 102 F HA 0.718 5.245 4.527 0.000 0.000 0.316 102 F C -2.080 173.736 175.800 0.028 0.000 1.164 102 F CA -1.539 56.477 58.000 0.027 0.000 0.924 102 F CB 0.887 39.858 39.000 -0.049 0.000 1.348 102 F HN 0.058 nan 8.300 nan 0.000 0.467 103 I N 2.115 122.794 120.570 0.181 0.000 2.493 103 I HA 0.716 4.886 4.170 0.000 0.000 0.298 103 I C -0.364 175.844 176.117 0.152 0.000 0.998 103 I CA -1.047 60.266 61.300 0.022 0.000 1.137 103 I CB 1.279 39.248 38.000 -0.051 0.000 1.310 103 I HN 0.938 nan 8.210 nan 0.000 0.445 104 A N 7.593 130.452 122.820 0.065 0.000 2.343 104 A HA 0.860 5.180 4.320 0.000 0.000 0.308 104 A C -0.799 176.918 177.584 0.220 0.000 1.092 104 A CA -0.434 51.708 52.037 0.175 0.000 0.751 104 A CB 1.115 20.183 19.000 0.114 0.000 1.203 104 A HN 0.600 nan 8.150 nan 0.000 0.452 105 I N 2.693 123.401 120.570 0.231 0.000 2.608 105 I HA 0.357 4.527 4.170 0.000 0.000 0.295 105 I C -2.517 173.588 176.117 -0.020 0.000 1.049 105 I CA -2.534 58.852 61.300 0.143 0.000 1.063 105 I CB 2.814 40.828 38.000 0.024 0.000 1.248 105 I HN 0.368 nan 8.210 nan 0.000 0.424 106 P HA -0.034 nan 4.420 nan 0.000 0.264 106 P C 0.872 178.042 177.300 -0.217 0.000 1.183 106 P CA 0.330 63.130 63.100 -0.499 0.000 0.763 106 P CB 0.632 32.129 31.700 -0.340 0.000 0.807 107 G N 2.483 111.173 108.800 -0.183 0.000 2.471 107 G HA2 -0.119 3.841 3.960 0.000 0.000 0.219 107 G HA3 -0.119 3.841 3.960 0.000 0.000 0.219 107 G C 0.249 175.104 174.900 -0.074 0.000 1.125 107 G CA 0.504 45.551 45.100 -0.089 0.000 0.775 107 G HN 0.680 nan 8.290 nan 0.000 0.548 108 Q N -1.403 118.345 119.800 -0.086 0.000 2.501 108 Q HA 0.579 4.919 4.340 0.000 0.000 0.288 108 Q C -1.243 174.720 176.000 -0.061 0.000 1.051 108 Q CA -1.065 54.702 55.803 -0.061 0.000 0.788 108 Q CB 1.780 30.490 28.738 -0.047 0.000 1.469 108 Q HN -0.130 nan 8.270 nan 0.000 0.416 109 V N 2.459 122.347 119.914 -0.044 0.000 2.557 109 V HA 0.076 4.196 4.120 0.000 0.000 0.301 109 V C 0.676 176.751 176.094 -0.031 0.000 1.026 109 V CA 0.817 63.096 62.300 -0.035 0.000 1.137 109 V CB 0.210 32.017 31.823 -0.026 0.000 0.917 109 V HN 0.923 nan 8.190 nan 0.000 0.484 110 T N 2.053 116.592 114.554 -0.025 0.000 2.874 110 T HA 0.260 4.610 4.350 0.000 0.000 0.281 110 T C 0.883 175.582 174.700 -0.003 0.000 0.994 110 T CA -0.537 61.554 62.100 -0.015 0.000 1.015 110 T CB 1.128 69.992 68.868 -0.006 0.000 1.028 110 T HN 0.623 nan 8.240 nan 0.000 0.523 111 Q N -0.061 119.740 119.800 0.002 0.000 2.135 111 Q HA -0.175 4.165 4.340 0.000 0.000 0.204 111 Q C 2.218 178.224 176.000 0.011 0.000 0.981 111 Q CA 1.829 57.635 55.803 0.006 0.000 0.856 111 Q CB -0.156 28.587 28.738 0.009 0.000 0.902 111 Q HN 0.933 nan 8.270 nan 0.000 0.425 112 E N 1.115 121.326 120.200 0.018 0.000 2.077 112 E HA -0.233 4.117 4.350 0.000 0.000 0.193 112 E C 1.899 178.511 176.600 0.020 0.000 0.989 112 E CA 1.045 57.460 56.400 0.025 0.000 0.800 112 E CB 0.102 29.827 29.700 0.041 0.000 0.746 112 E HN 0.381 nan 8.360 nan 0.000 0.452 113 Q N -0.401 119.408 119.800 0.015 0.000 2.224 113 Q HA -0.152 4.188 4.340 0.000 0.000 0.203 113 Q C 2.277 178.278 176.000 0.002 0.000 0.970 113 Q CA 0.898 56.705 55.803 0.008 0.000 0.865 113 Q CB 0.087 28.825 28.738 -0.000 0.000 0.922 113 Q HN 0.299 nan 8.270 nan 0.000 0.445 114 Q N 0.295 120.095 119.800 0.001 0.000 2.124 114 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 114 Q C 2.073 178.074 176.000 0.001 0.000 0.977 114 Q CA 1.172 56.974 55.803 -0.001 0.000 0.850 114 Q CB -0.027 28.710 28.738 -0.001 0.000 0.901 114 Q HN 0.444 nan 8.270 nan 0.000 0.429 115 L N -0.078 121.149 121.223 0.006 0.000 2.127 115 L HA -0.037 4.303 4.340 0.000 0.000 0.203 115 L C 0.552 177.427 176.870 0.008 0.000 1.080 115 L CA 0.648 55.492 54.840 0.007 0.000 0.768 115 L CB 0.098 42.164 42.059 0.011 0.000 0.924 115 L HN 0.019 nan 8.230 nan 0.000 0.444 116 Q N 0.158 119.964 119.800 0.011 0.000 2.454 116 Q HA 0.160 4.500 4.340 0.000 0.000 0.255 116 Q C 0.959 176.965 176.000 0.009 0.000 1.034 116 Q CA 0.076 55.886 55.803 0.013 0.000 0.736 116 Q CB 1.498 30.248 28.738 0.020 0.000 1.210 116 Q HN 0.286 nan 8.270 nan 0.000 0.500 117 T N -0.669 113.887 114.554 0.003 0.000 2.737 117 T HA -0.196 4.154 4.350 0.000 0.000 0.269 117 T C 1.138 175.836 174.700 -0.003 0.000 1.040 117 T CA 1.190 63.287 62.100 -0.004 0.000 1.142 117 T CB 0.081 68.943 68.868 -0.010 0.000 0.861 117 T HN 0.418 nan 8.240 nan 0.000 0.456 118 R N 1.372 121.875 120.500 0.005 0.000 2.426 118 R HA 0.573 4.913 4.340 0.000 0.000 0.263 118 R C 0.697 177.009 176.300 0.020 0.000 0.961 118 R CA -0.037 56.069 56.100 0.010 0.000 1.086 118 R CB 0.132 30.444 30.300 0.019 0.000 1.186 118 R HN 0.475 nan 8.270 nan 0.000 0.537 119 A N 1.804 124.637 122.820 0.021 0.000 2.511 119 A HA -0.013 4.307 4.320 0.000 0.000 0.242 119 A C 0.030 177.630 177.584 0.026 0.000 1.069 119 A CA -0.200 51.855 52.037 0.029 0.000 0.763 119 A CB 0.064 19.088 19.000 0.040 0.000 1.001 119 A HN 0.190 nan 8.150 nan 0.000 0.498 120 N N 1.537 120.234 118.700 -0.006 0.000 2.442 120 N HA 0.247 4.987 4.740 0.000 0.000 0.265 120 N C 0.401 175.979 175.510 0.112 0.000 1.138 120 N CA 0.326 53.338 53.050 -0.064 0.000 0.956 120 N CB 1.090 39.290 38.487 -0.477 0.000 1.067 120 N HN 0.682 nan 8.380 nan 0.000 0.474 121 V N 0.211 120.219 119.914 0.157 0.000 3.252 121 V HA 0.340 4.460 4.120 0.000 0.000 0.320 121 V C 0.409 176.659 176.094 0.260 0.000 1.459 121 V CA -0.380 62.059 62.300 0.232 0.000 1.095 121 V CB -0.305 31.591 31.823 0.121 0.000 0.997 121 V HN 0.394 nan 8.190 nan 0.000 0.469 122 T N 3.470 118.173 114.554 0.248 0.000 2.869 122 T HA 0.521 4.871 4.350 0.000 0.000 0.295 122 T C -0.069 174.816 174.700 0.308 0.000 0.987 122 T CA -0.121 62.046 62.100 0.113 0.000 1.109 122 T CB 0.942 69.658 68.868 -0.255 0.000 0.932 122 T HN 0.355 nan 8.240 nan 0.000 0.518 123 R N 1.960 122.548 120.500 0.146 0.000 2.562 123 R HA 0.463 4.803 4.340 0.000 0.000 0.298 123 R C -1.007 175.349 176.300 0.092 0.000 0.961 123 R CA -1.037 55.163 56.100 0.167 0.000 0.881 123 R CB 1.973 32.280 30.300 0.011 0.000 1.159 123 R HN 0.387 nan 8.270 nan 0.000 0.450 124 L N 2.681 124.013 121.223 0.182 0.000 2.264 124 L HA 0.409 4.749 4.340 0.000 0.000 0.289 124 L C -0.916 175.820 176.870 -0.223 0.000 1.044 124 L CA -0.055 54.803 54.840 0.030 0.000 0.807 124 L CB 0.789 42.868 42.059 0.034 0.000 1.192 124 L HN 0.644 nan 8.230 nan 0.000 0.425 125 C N 3.489 122.502 119.300 -0.478 0.000 3.108 125 C HA 0.907 5.368 4.460 0.000 0.000 0.321 125 C C -0.572 174.070 174.990 -0.580 0.000 1.357 125 C CA -0.668 57.949 59.018 -0.669 0.000 1.562 125 C CB 2.070 29.074 27.740 -1.228 0.000 2.003 125 C HN 0.900 nan 8.230 nan 0.000 0.460 126 Q N 0.095 119.706 119.800 -0.315 0.000 2.472 126 Q HA 0.786 5.126 4.340 0.000 0.000 0.281 126 Q C -1.672 174.394 176.000 0.110 0.000 0.997 126 Q CA -0.682 55.079 55.803 -0.071 0.000 0.828 126 Q CB 1.705 30.398 28.738 -0.075 0.000 1.443 126 Q HN 0.850 nan 8.270 nan 0.000 0.390 127 V N -1.516 118.487 119.914 0.148 0.000 2.876 127 V HA 0.938 5.058 4.120 0.000 0.000 0.312 127 V C -0.483 175.744 176.094 0.222 0.000 1.085 127 V CA -0.051 62.369 62.300 0.201 0.000 0.945 127 V CB 1.512 33.462 31.823 0.213 0.000 1.017 127 V HN 1.061 nan 8.190 nan 0.000 0.428 128 T N -0.209 114.460 114.554 0.192 0.000 2.916 128 T HA 0.817 5.167 4.350 0.000 0.000 0.292 128 T C -0.336 174.342 174.700 -0.036 0.000 1.055 128 T CA -0.516 61.583 62.100 -0.002 0.000 1.009 128 T CB 1.768 70.422 68.868 -0.358 0.000 1.118 128 T HN 1.363 nan 8.240 nan 0.000 0.497 129 S N -0.054 115.454 115.700 -0.320 0.000 2.547 129 S HA 0.571 5.041 4.470 0.000 0.000 0.281 129 S C 0.497 174.864 174.600 -0.389 0.000 1.118 129 S CA -0.253 57.609 58.200 -0.563 0.000 0.947 129 S CB 1.406 63.844 63.200 -1.270 0.000 1.053 129 S HN 1.093 nan 8.310 nan 0.000 0.482 130 T N -0.150 114.202 114.554 -0.337 0.000 3.085 130 T HA 0.255 4.605 4.350 0.000 0.000 0.264 130 T C -0.120 174.362 174.700 -0.364 0.000 1.019 130 T CA -0.066 61.865 62.100 -0.282 0.000 0.910 130 T CB -0.295 68.451 68.868 -0.205 0.000 1.059 130 T HN 0.604 nan 8.240 nan 0.000 0.542 131 D N 0.583 120.728 120.400 -0.424 0.000 2.891 131 D HA 0.104 4.744 4.640 0.000 0.000 0.332 131 D C 0.078 176.116 176.300 -0.437 0.000 1.369 131 D CA -0.812 52.898 54.000 -0.483 0.000 0.827 131 D CB -0.915 39.717 40.800 -0.279 0.000 1.141 131 D HN 0.332 nan 8.370 nan 0.000 0.464 132 H N -0.051 118.930 119.070 -0.147 0.000 2.899 132 H HA -0.133 4.423 4.556 0.000 0.000 0.282 132 H C 1.409 176.650 175.328 -0.145 0.000 1.198 132 H CA 1.010 56.995 56.048 -0.106 0.000 1.140 132 H CB -1.818 27.898 29.762 -0.078 0.000 1.317 132 H HN 0.747 nan 8.280 nan 0.000 0.375 133 G N -0.426 108.189 108.800 -0.309 0.000 2.143 133 G HA2 -0.386 3.574 3.960 0.000 0.000 0.249 133 G HA3 -0.386 3.574 3.960 0.000 0.000 0.249 133 G C 1.377 176.122 174.900 -0.260 0.000 0.981 133 G CA 0.525 45.358 45.100 -0.446 0.000 0.665 133 G HN 0.428 nan 8.290 nan 0.000 0.528 134 R N 0.360 120.720 120.500 -0.234 0.000 2.073 134 R HA 0.075 4.415 4.340 0.000 0.000 0.229 134 R C 1.636 177.866 176.300 -0.115 0.000 1.120 134 R CA 1.896 57.940 56.100 -0.093 0.000 0.967 134 R CB -0.735 29.523 30.300 -0.069 0.000 0.862 134 R HN 0.888 nan 8.270 nan 0.000 0.436 135 T N -2.935 111.433 114.554 -0.310 0.000 2.906 135 T HA 0.564 4.914 4.350 0.000 0.000 0.295 135 T C -1.086 173.321 174.700 -0.487 0.000 1.061 135 T CA -0.904 61.073 62.100 -0.205 0.000 1.000 135 T CB 1.924 70.734 68.868 -0.097 0.000 1.103 135 T HN 0.117 nan 8.240 nan 0.000 0.486 136 W N 1.020 122.326 121.300 0.011 0.000 2.781 136 W HA 0.647 5.307 4.660 -0.000 0.000 0.345 136 W C 0.637 177.152 176.519 -0.006 0.000 1.085 136 W CA -0.782 56.565 57.345 0.003 0.000 1.198 136 W CB 1.749 31.223 29.460 0.023 0.000 1.423 136 W HN 0.996 nan 8.180 nan 0.000 0.532 137 S N 0.515 116.342 115.700 0.212 0.000 2.608 137 S HA 0.425 4.895 4.470 0.000 0.000 0.261 137 S C 0.398 175.081 174.600 0.139 0.000 1.314 137 S CA -0.577 57.693 58.200 0.117 0.000 0.992 137 S CB 0.508 63.748 63.200 0.067 0.000 0.935 137 S HN 0.527 nan 8.310 nan 0.000 0.564 138 S N 1.183 116.938 115.700 0.092 0.000 2.579 138 S HA 0.359 4.829 4.470 0.000 0.000 0.275 138 S C -2.418 172.243 174.600 0.102 0.000 1.345 138 S CA -1.089 57.163 58.200 0.087 0.000 1.031 138 S CB -0.385 62.851 63.200 0.059 0.000 0.892 138 S HN 0.763 nan 8.310 nan 0.000 0.529 139 P HA 0.167 nan 4.420 nan 0.000 0.271 139 P C -0.825 176.517 177.300 0.069 0.000 1.216 139 P CA -0.313 62.871 63.100 0.139 0.000 0.776 139 P CB 0.479 32.302 31.700 0.205 0.000 0.881 140 R N 2.369 122.895 120.500 0.044 0.000 2.393 140 R HA 0.223 4.563 4.340 0.000 0.000 0.315 140 R C -0.628 175.647 176.300 -0.042 0.000 0.952 140 R CA -0.578 55.532 56.100 0.017 0.000 0.842 140 R CB 0.766 31.099 30.300 0.055 0.000 1.163 140 R HN 0.380 nan 8.270 nan 0.000 0.450 141 D N 5.741 126.108 120.400 -0.054 0.000 2.336 141 D HA 0.073 4.713 4.640 0.000 0.000 0.249 141 D C 0.702 176.953 176.300 -0.082 0.000 1.213 141 D CA -0.103 53.839 54.000 -0.097 0.000 0.870 141 D CB 1.027 41.772 40.800 -0.092 0.000 1.076 141 D HN 0.629 nan 8.370 nan 0.000 0.483 142 L N 2.877 124.030 121.223 -0.117 0.000 2.592 142 L HA 0.008 4.348 4.340 0.000 0.000 0.227 142 L C 2.220 178.979 176.870 -0.185 0.000 1.127 142 L CA -0.057 54.701 54.840 -0.136 0.000 0.884 142 L CB -0.137 41.777 42.059 -0.241 0.000 1.065 142 L HN 0.310 nan 8.230 nan 0.000 0.457 143 T N 0.025 114.487 114.554 -0.154 0.000 2.592 143 T HA -0.251 4.099 4.350 0.000 0.000 0.267 143 T C 1.382 175.962 174.700 -0.200 0.000 1.060 143 T CA 2.090 64.097 62.100 -0.155 0.000 1.167 143 T CB -0.236 68.542 68.868 -0.150 0.000 0.863 143 T HN 0.373 nan 8.240 nan 0.000 0.431 144 D N 1.297 121.582 120.400 -0.192 0.000 2.117 144 D HA -0.015 4.625 4.640 0.000 0.000 0.197 144 D C 2.401 178.643 176.300 -0.097 0.000 0.987 144 D CA 1.319 55.219 54.000 -0.165 0.000 0.829 144 D CB -0.499 40.220 40.800 -0.135 0.000 0.961 144 D HN 0.457 nan 8.370 nan 0.000 0.460 145 A N 0.787 123.572 122.820 -0.059 0.000 1.969 145 A HA 0.077 4.397 4.320 0.000 0.000 0.218 145 A C 2.215 179.821 177.584 0.037 0.000 1.169 145 A CA 1.916 53.961 52.037 0.012 0.000 0.635 145 A CB -0.263 18.783 19.000 0.076 0.000 0.810 145 A HN 0.254 nan 8.150 nan 0.000 0.445 146 A N -0.974 121.805 122.820 -0.068 0.000 1.997 146 A HA 0.341 4.661 4.320 0.000 0.000 0.212 146 A C 1.938 179.573 177.584 0.084 0.000 1.178 146 A CA 0.932 52.923 52.037 -0.076 0.000 0.698 146 A CB -0.171 18.437 19.000 -0.654 0.000 0.842 146 A HN 0.406 nan 8.150 nan 0.000 0.458 147 I N -1.613 118.944 120.570 -0.022 0.000 2.810 147 I HA 0.257 4.427 4.170 0.000 0.000 0.262 147 I C 1.682 177.714 176.117 -0.142 0.000 1.131 147 I CA 0.749 62.018 61.300 -0.052 0.000 1.453 147 I CB -0.298 37.586 38.000 -0.194 0.000 1.161 147 I HN 0.476 nan 8.210 nan 0.000 0.444 148 G N 2.307 111.032 108.800 -0.124 0.000 2.552 148 G HA2 -0.256 3.704 3.960 0.000 0.000 0.265 148 G HA3 -0.256 3.704 3.960 0.000 0.000 0.265 148 G C -1.596 173.225 174.900 -0.132 0.000 1.234 148 G CA 0.124 45.157 45.100 -0.112 0.000 0.944 148 G HN 0.212 nan 8.290 nan 0.000 0.568 149 P HA 0.041 nan 4.420 nan 0.000 0.225 149 P C 1.629 178.835 177.300 -0.157 0.000 1.148 149 P CA 2.272 65.313 63.100 -0.099 0.000 0.779 149 P CB -0.312 31.348 31.700 -0.068 0.000 0.780 150 A N -1.075 121.585 122.820 -0.268 0.000 2.119 150 A HA -0.164 4.156 4.320 0.000 0.000 0.217 150 A C 2.136 179.233 177.584 -0.811 0.000 1.153 150 A CA 0.483 52.248 52.037 -0.453 0.000 0.692 150 A CB -1.590 17.125 19.000 -0.475 0.000 0.799 150 A HN 0.077 nan 8.150 nan 0.000 0.458 151 Y N 1.934 121.784 120.300 -0.751 0.000 2.102 151 Y HA -0.369 4.181 4.550 -0.000 0.000 0.280 151 Y C 2.446 178.124 175.900 -0.369 0.000 1.178 151 Y CA 2.622 60.335 58.100 -0.645 0.000 1.146 151 Y CB -0.218 38.047 38.460 -0.325 0.000 0.968 151 Y HN 0.505 nan 8.280 nan 0.000 0.504 152 R N 0.080 120.482 120.500 -0.163 0.000 2.316 152 R HA -0.043 4.297 4.340 0.000 0.000 0.202 152 R C 1.309 177.547 176.300 -0.103 0.000 1.029 152 R CA 1.451 57.489 56.100 -0.104 0.000 1.018 152 R CB -0.500 29.803 30.300 0.006 0.000 0.888 152 R HN 0.428 nan 8.270 nan 0.000 0.471 153 E N -0.131 119.960 120.200 -0.182 0.000 2.489 153 E HA 0.022 4.372 4.350 0.000 0.000 0.193 153 E C -0.503 176.254 176.600 0.261 0.000 1.057 153 E CA 0.012 56.413 56.400 0.001 0.000 0.866 153 E CB 0.244 29.950 29.700 0.011 0.000 0.916 153 E HN 0.264 nan 8.360 nan 0.000 0.500 154 W N -0.103 121.177 121.300 -0.032 0.000 2.719 154 W HA 0.209 4.869 4.660 -0.000 0.000 0.352 154 W C 1.269 177.781 176.519 -0.011 0.000 1.085 154 W CA -1.371 55.981 57.345 0.012 0.000 1.187 154 W CB 0.614 30.109 29.460 0.058 0.000 1.417 154 W HN -0.178 nan 8.180 nan 0.000 0.557 155 S N -0.889 114.986 115.700 0.291 0.000 2.470 155 S HA 0.208 4.678 4.470 0.000 0.000 0.222 155 S C 0.572 175.259 174.600 0.144 0.000 1.024 155 S CA 0.935 59.223 58.200 0.147 0.000 0.931 155 S CB 0.468 63.721 63.200 0.088 0.000 0.791 155 S HN 0.572 nan 8.310 nan 0.000 0.513 156 T N -0.064 114.659 114.554 0.281 0.000 2.652 156 T HA 0.525 4.875 4.350 0.000 0.000 0.303 156 T C -2.212 172.758 174.700 0.450 0.000 1.738 156 T CA -0.586 61.665 62.100 0.251 0.000 0.969 156 T CB 0.569 69.467 68.868 0.050 0.000 1.778 156 T HN 0.714 nan 8.240 nan 0.000 0.494 157 F N -0.614 119.438 119.950 0.169 0.000 2.858 157 F HA 0.931 5.458 4.527 0.000 0.000 0.319 157 F C -1.295 174.414 175.800 -0.153 0.000 1.166 157 F CA -0.634 57.358 58.000 -0.013 0.000 0.899 157 F CB 0.776 39.869 39.000 0.154 0.000 1.332 157 F HN 1.002 nan 8.300 nan 0.000 0.461 158 A N 0.427 123.057 122.820 -0.317 0.000 2.610 158 A HA 0.809 5.129 4.320 0.000 0.000 0.291 158 A C -1.553 175.945 177.584 -0.142 0.000 1.086 158 A CA -0.301 51.544 52.037 -0.319 0.000 0.677 158 A CB 1.284 20.035 19.000 -0.415 0.000 1.278 158 A HN 2.066 nan 8.150 nan 0.000 0.414 159 V N -0.896 119.021 119.914 0.006 0.000 2.815 159 V HA 0.941 5.061 4.120 0.000 0.000 0.314 159 V C 0.967 177.107 176.094 0.077 0.000 1.064 159 V CA 0.274 62.595 62.300 0.034 0.000 0.952 159 V CB 0.501 32.350 31.823 0.044 0.000 1.020 159 V HN 2.924 nan 8.190 nan 0.000 0.439 160 G N 3.097 111.934 108.800 0.061 0.000 2.611 160 G HA2 -0.200 3.760 3.960 0.000 0.000 0.301 160 G HA3 -0.200 3.760 3.960 0.000 0.000 0.301 160 G C -1.982 173.015 174.900 0.161 0.000 1.233 160 G CA 0.251 45.404 45.100 0.088 0.000 0.993 160 G HN 1.034 nan 8.290 nan 0.000 0.553 161 P HA 0.485 nan 4.420 nan 0.000 0.274 161 P C 0.626 178.020 177.300 0.156 0.000 1.256 161 P CA 1.680 64.890 63.100 0.183 0.000 0.795 161 P CB 0.685 32.537 31.700 0.253 0.000 1.038 162 G N -0.534 108.379 108.800 0.188 0.000 2.655 162 G HA2 -0.092 3.868 3.960 0.000 0.000 0.680 162 G HA3 -0.092 3.868 3.960 0.000 0.000 0.680 162 G C -0.299 174.721 174.900 0.200 0.000 1.302 162 G CA -0.350 44.889 45.100 0.233 0.000 0.872 162 G HN 1.085 nan 8.290 nan 0.000 0.540 163 H N -0.705 118.511 119.070 0.244 0.000 3.016 163 H HA 0.369 4.925 4.556 0.000 0.000 0.345 163 H C 0.816 176.285 175.328 0.235 0.000 1.066 163 H CA 0.733 56.940 56.048 0.265 0.000 1.390 163 H CB -0.143 29.794 29.762 0.291 0.000 1.344 163 H HN 0.724 nan 8.280 nan 0.000 0.605 164 C N 2.829 122.253 119.300 0.208 0.000 2.464 164 C HA 0.535 4.995 4.460 0.000 0.000 0.398 164 C C 0.547 175.675 174.990 0.230 0.000 1.451 164 C CA -0.748 58.355 59.018 0.141 0.000 1.986 164 C CB 0.890 28.768 27.740 0.231 0.000 2.004 164 C HN 0.802 nan 8.230 nan 0.000 0.530 165 L N 1.140 122.475 121.223 0.187 0.000 2.381 165 L HA 0.563 4.903 4.340 0.000 0.000 0.268 165 L C -0.672 176.304 176.870 0.176 0.000 0.997 165 L CA 0.018 54.986 54.840 0.212 0.000 0.818 165 L CB 1.485 43.647 42.059 0.171 0.000 1.310 165 L HN 0.794 nan 8.230 nan 0.000 0.416 166 Q N 3.911 123.821 119.800 0.184 0.000 2.330 166 Q HA 0.572 4.912 4.340 0.000 0.000 0.269 166 Q C -1.523 174.550 176.000 0.121 0.000 1.022 166 Q CA -0.654 55.226 55.803 0.129 0.000 0.796 166 Q CB 1.497 30.317 28.738 0.136 0.000 1.271 166 Q HN 0.796 nan 8.270 nan 0.000 0.450 167 L N 2.546 123.819 121.223 0.084 0.000 2.466 167 L HA 0.278 4.619 4.340 0.000 0.000 0.257 167 L C 0.695 177.611 176.870 0.076 0.000 1.189 167 L CA -0.548 54.341 54.840 0.082 0.000 0.813 167 L CB 0.431 42.529 42.059 0.065 0.000 1.118 167 L HN 0.716 nan 8.230 nan 0.000 0.471 168 N N 0.642 119.385 118.700 0.072 0.000 2.376 168 N HA 0.044 4.784 4.740 0.000 0.000 0.249 168 N C -0.619 174.918 175.510 0.046 0.000 1.140 168 N CA -0.150 52.939 53.050 0.065 0.000 0.870 168 N CB -0.081 38.447 38.487 0.068 0.000 1.124 168 N HN 0.592 nan 8.380 nan 0.000 0.505 169 D N -0.558 119.866 120.400 0.039 0.000 2.411 169 D HA 0.067 4.707 4.640 0.000 0.000 0.251 169 D C 1.379 177.688 176.300 0.016 0.000 1.201 169 D CA -0.554 53.459 54.000 0.021 0.000 0.996 169 D CB 1.153 41.962 40.800 0.015 0.000 1.101 169 D HN -0.203 nan 8.370 nan 0.000 0.504 170 R N 0.341 120.840 120.500 -0.001 0.000 2.103 170 R HA -0.104 4.236 4.340 0.000 0.000 0.242 170 R C 1.857 178.162 176.300 0.007 0.000 1.142 170 R CA 2.151 58.251 56.100 0.000 0.000 0.960 170 R CB -1.071 29.218 30.300 -0.017 0.000 0.858 170 R HN 0.564 nan 8.270 nan 0.000 0.439 171 A N -0.209 122.602 122.820 -0.014 0.000 2.167 171 A HA 0.120 4.440 4.320 0.000 0.000 0.214 171 A C 0.021 177.583 177.584 -0.037 0.000 1.151 171 A CA 0.342 52.369 52.037 -0.016 0.000 0.735 171 A CB 0.013 18.986 19.000 -0.046 0.000 0.802 171 A HN 0.301 nan 8.150 nan 0.000 0.467 172 R N 0.174 120.672 120.500 -0.004 0.000 3.264 172 R HA -0.110 4.230 4.340 0.000 0.000 0.251 172 R C -0.323 175.916 176.300 -0.101 0.000 0.971 172 R CA 0.846 56.943 56.100 -0.005 0.000 0.658 172 R CB -3.139 27.199 30.300 0.063 0.000 1.095 172 R HN 0.516 nan 8.270 nan 0.000 0.443 173 S N 0.668 116.337 115.700 -0.052 0.000 2.563 173 S HA 0.251 4.721 4.470 0.000 0.000 0.284 173 S C 1.142 175.684 174.600 -0.097 0.000 1.331 173 S CA -0.307 57.843 58.200 -0.084 0.000 1.047 173 S CB 0.926 64.159 63.200 0.054 0.000 0.859 173 S HN 0.279 nan 8.310 nan 0.000 0.514 174 L N 2.561 123.680 121.223 -0.173 0.000 2.295 174 L HA 0.576 4.916 4.340 0.000 0.000 0.285 174 L C -0.790 176.099 176.870 0.031 0.000 1.035 174 L CA -0.785 54.013 54.840 -0.071 0.000 0.806 174 L CB 1.121 43.100 42.059 -0.132 0.000 1.214 174 L HN 0.301 nan 8.230 nan 0.000 0.426 175 V N 4.119 124.088 119.914 0.092 0.000 2.483 175 V HA 0.369 4.489 4.120 0.000 0.000 0.297 175 V C -0.147 175.995 176.094 0.079 0.000 1.027 175 V CA -0.609 61.758 62.300 0.111 0.000 0.855 175 V CB 2.255 34.134 31.823 0.093 0.000 0.995 175 V HN 0.440 nan 8.190 nan 0.000 0.424 176 V N 7.678 127.620 119.914 0.046 0.000 2.357 176 V HA 0.411 4.531 4.120 0.000 0.000 0.284 176 V C -2.061 173.977 176.094 -0.093 0.000 1.018 176 V CA -1.807 60.435 62.300 -0.096 0.000 0.841 176 V CB 1.977 33.559 31.823 -0.402 0.000 0.991 176 V HN 0.712 nan 8.190 nan 0.000 0.437 177 P HA 0.509 nan 4.420 nan 0.000 0.271 177 P C -0.594 176.552 177.300 -0.255 0.000 1.218 177 P CA 0.113 63.108 63.100 -0.175 0.000 0.780 177 P CB 1.864 33.500 31.700 -0.107 0.000 0.901 178 A N 2.607 125.132 122.820 -0.492 0.000 2.557 178 A HA 0.824 5.144 4.320 0.000 0.000 0.292 178 A C -1.880 175.383 177.584 -0.535 0.000 1.139 178 A CA -0.609 51.079 52.037 -0.582 0.000 0.665 178 A CB 1.188 19.612 19.000 -0.961 0.000 1.285 178 A HN 0.662 nan 8.150 nan 0.000 0.433 179 Y N -2.951 117.123 120.300 -0.377 0.000 2.558 179 Y HA 0.826 5.376 4.550 -0.000 0.000 0.333 179 Y C -0.647 175.286 175.900 0.055 0.000 1.125 179 Y CA -0.683 57.354 58.100 -0.105 0.000 1.039 179 Y CB 0.953 39.304 38.460 -0.181 0.000 1.331 179 Y HN 1.648 nan 8.280 nan 0.000 0.456 180 A N 1.900 124.734 122.820 0.022 0.000 2.475 180 A HA 0.718 5.038 4.320 0.000 0.000 0.301 180 A C -2.359 174.988 177.584 -0.395 0.000 1.059 180 A CA -0.911 50.924 52.037 -0.338 0.000 0.710 180 A CB 0.953 19.176 19.000 -1.296 0.000 1.288 180 A HN 0.734 nan 8.150 nan 0.000 0.408 181 Y N 1.738 121.966 120.300 -0.120 0.000 2.477 181 Y HA 0.343 4.893 4.550 -0.000 0.000 0.349 181 Y C 0.910 176.756 175.900 -0.089 0.000 0.977 181 Y CA 0.305 58.372 58.100 -0.054 0.000 1.214 181 Y CB 0.742 39.231 38.460 0.047 0.000 1.124 181 Y HN 0.559 nan 8.280 nan 0.000 0.521 182 R N 3.286 123.738 120.500 -0.079 0.000 2.265 182 R HA 0.229 4.569 4.340 0.000 0.000 0.314 182 R C -0.272 176.083 176.300 0.091 0.000 1.053 182 R CA -0.594 55.497 56.100 -0.016 0.000 0.931 182 R CB 0.699 30.872 30.300 -0.213 0.000 1.024 182 R HN 0.524 nan 8.270 nan 0.000 0.457 183 K N 3.986 124.481 120.400 0.159 0.000 2.307 183 K HA 0.089 4.410 4.320 0.000 0.000 0.240 183 K C 0.681 177.347 176.600 0.110 0.000 1.214 183 K CA -0.020 56.344 56.287 0.127 0.000 1.149 183 K CB 0.261 32.836 32.500 0.124 0.000 1.668 183 K HN 0.485 nan 8.250 nan 0.000 0.314 184 L N -0.243 121.035 121.223 0.092 0.000 2.418 184 L HA 0.029 4.369 4.340 0.000 0.000 0.218 184 L C 0.711 177.646 176.870 0.108 0.000 1.125 184 L CA 0.594 55.477 54.840 0.071 0.000 0.835 184 L CB -0.082 41.994 42.059 0.028 0.000 0.953 184 L HN 0.535 nan 8.230 nan 0.000 0.454 185 H N -0.157 118.928 119.070 0.025 0.000 2.934 185 H HA 0.160 4.716 4.556 0.000 0.000 0.340 185 H C -1.783 173.558 175.328 0.021 0.000 1.008 185 H CA -1.662 54.398 56.048 0.020 0.000 1.317 185 H CB 2.541 32.311 29.762 0.014 0.000 1.670 185 H HN -0.250 nan 8.280 nan 0.000 0.516 186 P HA -0.156 nan 4.420 nan 0.000 0.221 186 P C 1.153 178.414 177.300 -0.066 0.000 1.145 186 P CA 1.023 64.150 63.100 0.046 0.000 0.795 186 P CB 0.902 32.642 31.700 0.066 0.000 0.775 187 I N -1.527 118.894 120.570 -0.248 0.000 2.556 187 I HA 0.005 4.175 4.170 0.000 0.000 0.251 187 I C 0.550 176.540 176.117 -0.211 0.000 1.105 187 I CA 0.295 61.434 61.300 -0.268 0.000 1.436 187 I CB 0.094 37.863 38.000 -0.385 0.000 1.139 187 I HN -0.152 nan 8.210 nan 0.000 0.438 188 Q N 3.179 122.822 119.800 -0.262 0.000 2.373 188 Q HA 0.095 4.435 4.340 0.000 0.000 0.255 188 Q C -0.329 175.664 176.000 -0.011 0.000 0.980 188 Q CA -0.110 55.643 55.803 -0.084 0.000 0.882 188 Q CB 0.409 29.157 28.738 0.017 0.000 1.249 188 Q HN 0.460 nan 8.270 nan 0.000 0.438 189 R N 1.156 121.657 120.500 0.002 0.000 2.590 189 R HA 0.356 4.696 4.340 0.000 0.000 0.274 189 R C -2.227 174.111 176.300 0.064 0.000 1.061 189 R CA -1.510 54.603 56.100 0.021 0.000 1.081 189 R CB -0.877 29.429 30.300 0.012 0.000 0.984 189 R HN 0.212 nan 8.270 nan 0.000 0.448 190 P HA -0.058 nan 4.420 nan 0.000 0.264 190 P C -0.518 176.907 177.300 0.209 0.000 1.183 190 P CA 0.077 63.262 63.100 0.142 0.000 0.763 190 P CB 0.433 32.234 31.700 0.168 0.000 0.807 191 I N 5.398 126.042 120.570 0.124 0.000 2.377 191 I HA 0.400 4.570 4.170 0.000 0.000 0.293 191 I C -2.580 173.489 176.117 -0.080 0.000 0.987 191 I CA -3.248 58.093 61.300 0.068 0.000 1.185 191 I CB 2.136 40.140 38.000 0.007 0.000 1.341 191 I HN 0.205 nan 8.210 nan 0.000 0.455 192 P HA 0.280 nan 4.420 nan 0.000 0.282 192 P C -1.241 175.863 177.300 -0.326 0.000 1.249 192 P CA -0.337 62.483 63.100 -0.466 0.000 0.806 192 P CB 1.382 32.625 31.700 -0.761 0.000 0.984 193 S N 0.368 115.879 115.700 -0.315 0.000 2.572 193 S HA 0.603 5.073 4.470 0.000 0.000 0.274 193 S C -0.436 174.234 174.600 0.117 0.000 1.150 193 S CA -0.516 57.565 58.200 -0.197 0.000 0.944 193 S CB 1.600 64.526 63.200 -0.456 0.000 1.071 193 S HN 0.664 nan 8.310 nan 0.000 0.479 194 A N 2.354 125.231 122.820 0.096 0.000 2.304 194 A HA 0.953 5.273 4.320 0.000 0.000 0.271 194 A C -0.381 177.355 177.584 0.252 0.000 1.091 194 A CA -0.241 51.858 52.037 0.103 0.000 0.812 194 A CB -0.047 18.888 19.000 -0.108 0.000 1.056 194 A HN 1.172 nan 8.150 nan 0.000 0.489 195 F N -1.913 117.975 119.950 -0.103 0.000 3.122 195 F HA 0.629 5.156 4.527 0.000 0.000 0.325 195 F C -1.203 174.478 175.800 -0.199 0.000 1.162 195 F CA -1.437 56.455 58.000 -0.181 0.000 0.876 195 F CB 0.362 39.132 39.000 -0.383 0.000 1.429 195 F HN 0.579 nan 8.300 nan 0.000 0.484 196 C N 0.944 120.206 119.300 -0.064 0.000 2.707 196 C HA 0.765 5.225 4.460 0.000 0.000 0.313 196 C C -1.162 173.761 174.990 -0.110 0.000 1.209 196 C CA -0.594 58.333 59.018 -0.152 0.000 1.635 196 C CB 1.416 29.227 27.740 0.119 0.000 2.206 196 C HN 0.594 nan 8.230 nan 0.000 0.485 197 F N 2.279 122.235 119.950 0.010 0.000 2.421 197 F HA 0.729 5.256 4.527 0.000 0.000 0.337 197 F C -0.022 175.898 175.800 0.199 0.000 1.105 197 F CA -0.666 57.391 58.000 0.095 0.000 1.049 197 F CB 1.329 40.233 39.000 -0.160 0.000 1.139 197 F HN 0.291 nan 8.300 nan 0.000 0.479 198 L N 2.712 124.200 121.223 0.441 0.000 2.410 198 L HA 0.713 5.053 4.340 0.000 0.000 0.270 198 L C -0.837 175.971 176.870 -0.103 0.000 0.983 198 L CA -0.123 54.803 54.840 0.144 0.000 0.822 198 L CB 1.959 43.990 42.059 -0.046 0.000 1.285 198 L HN 0.481 nan 8.230 nan 0.000 0.409 199 S N 2.743 118.167 115.700 -0.460 0.000 2.557 199 S HA 0.513 4.983 4.470 0.000 0.000 0.291 199 S C -0.094 174.144 174.600 -0.603 0.000 1.116 199 S CA -0.516 57.203 58.200 -0.802 0.000 0.992 199 S CB 0.684 62.929 63.200 -1.591 0.000 1.028 199 S HN 0.792 nan 8.310 nan 0.000 0.484 200 H N 2.727 121.608 119.070 -0.316 0.000 2.622 200 H HA 0.190 4.746 4.556 -0.000 0.000 0.269 200 H C -0.238 174.914 175.328 -0.293 0.000 0.977 200 H CA 0.381 56.278 56.048 -0.253 0.000 1.179 200 H CB 0.330 30.001 29.762 -0.150 0.000 1.458 200 H HN 0.713 nan 8.280 nan 0.000 0.531 201 D N -1.161 119.110 120.400 -0.214 0.000 2.892 201 D HA 0.068 4.708 4.640 0.000 0.000 0.291 201 D C -0.439 175.832 176.300 -0.050 0.000 1.341 201 D CA -0.807 53.135 54.000 -0.097 0.000 0.844 201 D CB -0.948 39.837 40.800 -0.025 0.000 1.093 201 D HN 0.071 nan 8.370 nan 0.000 0.480 202 H N -0.197 118.792 119.070 -0.135 0.000 2.741 202 H HA -0.057 4.499 4.556 0.000 0.000 0.305 202 H C 1.547 176.844 175.328 -0.051 0.000 1.169 202 H CA 0.929 56.933 56.048 -0.073 0.000 1.144 202 H CB -1.611 28.200 29.762 0.081 0.000 1.397 202 H HN 0.640 nan 8.280 nan 0.000 0.409 203 G N -0.919 107.684 108.800 -0.329 0.000 2.157 203 G HA2 -0.419 3.541 3.960 0.000 0.000 0.248 203 G HA3 -0.419 3.541 3.960 0.000 0.000 0.248 203 G C 1.124 175.965 174.900 -0.098 0.000 0.979 203 G CA 0.631 45.578 45.100 -0.256 0.000 0.650 203 G HN 0.662 nan 8.290 nan 0.000 0.529 204 R N 0.625 121.048 120.500 -0.128 0.000 2.073 204 R HA 0.118 4.458 4.340 0.000 0.000 0.229 204 R C 1.363 177.616 176.300 -0.080 0.000 1.120 204 R CA 2.011 58.096 56.100 -0.026 0.000 0.967 204 R CB -0.076 30.224 30.300 -0.000 0.000 0.862 204 R HN 0.667 nan 8.270 nan 0.000 0.436 205 T N -3.174 111.226 114.554 -0.256 0.000 2.906 205 T HA 0.501 4.851 4.350 0.000 0.000 0.295 205 T C -1.220 173.226 174.700 -0.423 0.000 1.061 205 T CA -0.887 61.106 62.100 -0.179 0.000 1.000 205 T CB 1.576 70.393 68.868 -0.086 0.000 1.103 205 T HN 0.199 nan 8.240 nan 0.000 0.486 206 W N 0.300 121.589 121.300 -0.019 0.000 2.936 206 W HA 0.742 5.402 4.660 -0.000 0.000 0.338 206 W C -0.447 176.074 176.519 0.005 0.000 1.121 206 W CA -0.967 56.364 57.345 -0.024 0.000 1.209 206 W CB 2.388 31.818 29.460 -0.050 0.000 1.420 206 W HN 1.057 nan 8.180 nan 0.000 0.516 207 A N 2.407 125.405 122.820 0.297 0.000 2.365 207 A HA 0.825 5.145 4.320 0.000 0.000 0.318 207 A C -1.181 176.557 177.584 0.256 0.000 1.091 207 A CA -1.057 51.087 52.037 0.178 0.000 0.763 207 A CB 1.481 20.514 19.000 0.055 0.000 1.248 207 A HN 0.702 nan 8.150 nan 0.000 0.442 208 R N 1.964 122.544 120.500 0.134 0.000 2.229 208 R HA 0.488 4.828 4.340 0.000 0.000 0.332 208 R C 0.447 176.647 176.300 -0.167 0.000 0.989 208 R CA 0.026 56.139 56.100 0.023 0.000 0.842 208 R CB 0.838 31.101 30.300 -0.062 0.000 1.119 208 R HN 0.922 nan 8.270 nan 0.000 0.456 209 G N 2.279 111.017 108.800 -0.104 0.000 2.572 209 G HA2 0.082 4.042 3.960 0.000 0.000 0.261 209 G HA3 0.082 4.042 3.960 0.000 0.000 0.261 209 G C -0.449 174.281 174.900 -0.283 0.000 1.197 209 G CA -0.497 44.540 45.100 -0.104 0.000 0.870 209 G HN 0.655 nan 8.290 nan 0.000 0.548 210 H N -0.333 118.689 119.070 -0.079 0.000 2.707 210 H HA 0.124 4.680 4.556 0.000 0.000 0.359 210 H C 0.044 175.342 175.328 -0.049 0.000 1.113 210 H CA 0.215 56.190 56.048 -0.123 0.000 1.422 210 H CB 0.699 30.466 29.762 0.010 0.000 1.443 210 H HN 0.188 nan 8.280 nan 0.000 0.591 211 F N 0.990 121.031 119.950 0.151 0.000 2.496 211 F HA -0.016 4.511 4.527 -0.000 0.000 0.344 211 F C 1.295 177.152 175.800 0.096 0.000 1.155 211 F CA -0.203 57.852 58.000 0.091 0.000 1.302 211 F CB 0.247 39.248 39.000 0.002 0.000 1.159 211 F HN 0.251 nan 8.300 nan 0.000 0.595 212 V N 0.067 120.121 119.914 0.234 0.000 3.871 212 V HA 0.804 4.924 4.120 0.000 0.000 0.274 212 V C 0.561 176.691 176.094 0.059 0.000 1.104 212 V CA -1.063 61.282 62.300 0.076 0.000 0.852 212 V CB -0.197 31.554 31.823 -0.119 0.000 1.222 212 V HN 0.926 nan 8.190 nan 0.000 0.420 213 A N -0.330 122.487 122.820 -0.004 0.000 2.507 213 A HA 0.242 4.562 4.320 0.000 0.000 0.235 213 A C 0.423 177.975 177.584 -0.054 0.000 1.070 213 A CA -0.048 51.976 52.037 -0.022 0.000 0.768 213 A CB -0.558 18.419 19.000 -0.038 0.000 1.011 213 A HN 0.844 nan 8.150 nan 0.000 0.502 214 Q N -0.370 119.392 119.800 -0.062 0.000 2.417 214 Q HA 0.254 4.594 4.340 0.000 0.000 0.241 214 Q C -0.473 175.472 176.000 -0.091 0.000 1.008 214 Q CA 0.401 56.146 55.803 -0.096 0.000 0.901 214 Q CB 0.358 29.049 28.738 -0.079 0.000 1.259 214 Q HN 0.796 nan 8.270 nan 0.000 0.489 215 D N 0.210 120.545 120.400 -0.108 0.000 2.739 215 D HA -0.126 4.514 4.640 0.000 0.000 0.240 215 D C -1.301 174.882 176.300 -0.196 0.000 1.114 215 D CA 1.173 55.117 54.000 -0.094 0.000 0.695 215 D CB -0.810 39.997 40.800 0.011 0.000 1.078 215 D HN 0.589 nan 8.370 nan 0.000 0.434 216 T N -1.700 112.714 114.554 -0.233 0.000 2.863 216 T HA 0.750 5.100 4.350 0.000 0.000 0.285 216 T C 1.018 175.492 174.700 -0.377 0.000 1.009 216 T CA -0.655 61.281 62.100 -0.274 0.000 0.989 216 T CB 2.252 71.001 68.868 -0.198 0.000 1.004 216 T HN 0.235 nan 8.240 nan 0.000 0.455 217 L N -0.253 120.681 121.223 -0.482 0.000 2.825 217 L HA 0.700 5.040 4.340 0.000 0.000 0.222 217 L C -0.345 175.977 176.870 -0.913 0.000 1.823 217 L CA -1.456 52.877 54.840 -0.844 0.000 2.706 217 L CB -0.536 41.069 42.059 -0.757 0.000 2.541 217 L HN 0.413 nan 8.230 nan 0.000 0.690 218 E N 1.406 121.112 120.200 -0.824 0.000 2.480 218 E HA 0.230 4.580 4.350 0.000 0.000 0.258 218 E C -0.468 175.995 176.600 -0.228 0.000 0.984 218 E CA 0.145 56.325 56.400 -0.367 0.000 0.930 218 E CB 0.266 29.839 29.700 -0.212 0.000 0.936 218 E HN 0.576 nan 8.360 nan 0.000 0.466 219 C N 1.485 120.712 119.300 -0.123 0.000 3.044 219 C HA 0.687 5.147 4.460 0.000 0.000 0.315 219 C C -0.776 174.171 174.990 -0.072 0.000 1.320 219 C CA -0.808 58.141 59.018 -0.115 0.000 1.582 219 C CB 1.315 28.963 27.740 -0.154 0.000 2.039 219 C HN 0.753 nan 8.230 nan 0.000 0.466 220 Q N 0.438 120.209 119.800 -0.048 0.000 2.456 220 Q HA 0.763 5.103 4.340 0.000 0.000 0.283 220 Q C -1.054 174.950 176.000 0.007 0.000 1.084 220 Q CA -0.718 55.062 55.803 -0.038 0.000 0.801 220 Q CB 2.693 31.424 28.738 -0.012 0.000 1.434 220 Q HN 0.971 nan 8.270 nan 0.000 0.419 221 V N -2.294 117.636 119.914 0.027 0.000 2.914 221 V HA 1.053 5.173 4.120 0.000 0.000 0.314 221 V C -1.014 175.178 176.094 0.163 0.000 1.084 221 V CA -0.739 61.622 62.300 0.101 0.000 0.963 221 V CB 1.550 33.442 31.823 0.115 0.000 1.025 221 V HN 0.886 nan 8.190 nan 0.000 0.432 222 A N 1.831 124.765 122.820 0.189 0.000 2.594 222 A HA 0.853 5.173 4.320 0.000 0.000 0.291 222 A C -0.951 176.737 177.584 0.172 0.000 1.105 222 A CA -0.633 51.532 52.037 0.214 0.000 0.694 222 A CB 1.990 21.138 19.000 0.248 0.000 1.291 222 A HN 1.077 nan 8.150 nan 0.000 0.410 223 E N 0.196 120.491 120.200 0.158 0.000 2.183 223 E HA 0.638 4.988 4.350 0.000 0.000 0.271 223 E C -0.948 175.711 176.600 0.099 0.000 0.919 223 E CA -0.654 55.817 56.400 0.119 0.000 0.781 223 E CB 1.677 31.442 29.700 0.108 0.000 1.140 223 E HN 1.045 nan 8.360 nan 0.000 0.402 224 V N 0.255 120.211 119.914 0.071 0.000 3.181 224 V HA 0.567 4.687 4.120 0.000 0.000 0.308 224 V C -0.961 175.150 176.094 0.029 0.000 1.214 224 V CA -1.015 61.312 62.300 0.046 0.000 1.053 224 V CB 1.899 33.739 31.823 0.029 0.000 1.069 224 V HN 0.711 nan 8.190 nan 0.000 0.441 225 E N 0.872 121.082 120.200 0.017 0.000 2.156 225 E HA 0.634 4.984 4.350 0.000 0.000 0.279 225 E C -0.848 175.751 176.600 -0.002 0.000 0.965 225 E CA -0.288 56.117 56.400 0.009 0.000 0.789 225 E CB 1.855 31.560 29.700 0.009 0.000 1.098 225 E HN 0.866 nan 8.360 nan 0.000 0.397 226 T N 1.350 115.901 114.554 -0.005 0.000 2.933 226 T HA 0.528 4.878 4.350 0.000 0.000 0.305 226 T C 0.597 175.289 174.700 -0.012 0.000 1.092 226 T CA 0.487 62.578 62.100 -0.015 0.000 1.008 226 T CB 1.321 70.177 68.868 -0.020 0.000 1.102 226 T HN 0.678 nan 8.240 nan 0.000 0.469 227 G N 3.910 112.700 108.800 -0.016 0.000 5.206 227 G HA2 -0.269 3.691 3.960 0.000 0.000 0.328 227 G HA3 -0.269 3.691 3.960 0.000 0.000 0.328 227 G C 0.556 175.450 174.900 -0.010 0.000 1.382 227 G CA 1.304 46.396 45.100 -0.013 0.000 0.994 227 G HN 0.763 nan 8.290 nan 0.000 0.800 228 E N -0.630 119.565 120.200 -0.008 0.000 2.624 228 E HA 0.092 4.442 4.350 0.000 0.000 0.192 228 E C 0.938 177.536 176.600 -0.004 0.000 0.961 228 E CA 0.483 56.880 56.400 -0.006 0.000 1.632 228 E CB 0.495 30.192 29.700 -0.006 0.000 2.082 228 E HN 0.627 nan 8.360 nan 0.000 1.040 229 Q N 1.052 120.849 119.800 -0.004 0.000 2.852 229 Q HA 0.454 4.794 4.340 0.000 0.000 0.262 229 Q C -0.548 175.453 176.000 0.002 0.000 1.051 229 Q CA -0.673 55.128 55.803 -0.002 0.000 0.894 229 Q CB 0.968 29.702 28.738 -0.005 0.000 1.381 229 Q HN -0.112 nan 8.270 nan 0.000 0.501 230 R N -0.002 120.501 120.500 0.005 0.000 2.404 230 R HA 0.619 4.959 4.340 0.000 0.000 0.291 230 R C -0.144 176.162 176.300 0.010 0.000 1.025 230 R CA -0.549 55.559 56.100 0.014 0.000 0.991 230 R CB 1.503 31.817 30.300 0.022 0.000 1.053 230 R HN 0.577 nan 8.270 nan 0.000 0.479 231 V N -0.972 118.953 119.914 0.019 0.000 3.040 231 V HA 0.583 4.703 4.120 0.000 0.000 0.312 231 V C -0.481 175.640 176.094 0.046 0.000 1.115 231 V CA -0.979 61.331 62.300 0.016 0.000 0.998 231 V CB 2.206 34.039 31.823 0.017 0.000 1.042 231 V HN 0.383 nan 8.190 nan 0.000 0.433 232 V N 2.111 122.052 119.914 0.045 0.000 2.370 232 V HA 0.536 4.656 4.120 0.000 0.000 0.279 232 V C 0.456 176.679 176.094 0.215 0.000 1.029 232 V CA 0.196 62.565 62.300 0.115 0.000 0.870 232 V CB 1.385 33.265 31.823 0.096 0.000 0.984 232 V HN 1.135 nan 8.190 nan 0.000 0.451 233 T N 6.382 121.062 114.554 0.209 0.000 2.795 233 T HA 0.613 4.963 4.350 0.000 0.000 0.282 233 T C -0.838 173.979 174.700 0.195 0.000 0.980 233 T CA -0.351 61.879 62.100 0.215 0.000 1.012 233 T CB 0.718 69.679 68.868 0.155 0.000 0.936 233 T HN 0.541 nan 8.240 nan 0.000 0.457 234 L N 5.921 127.218 121.223 0.123 0.000 2.313 234 L HA 0.627 4.967 4.340 0.000 0.000 0.283 234 L C -0.501 176.319 176.870 -0.082 0.000 1.013 234 L CA -0.695 54.110 54.840 -0.059 0.000 0.816 234 L CB 1.159 42.964 42.059 -0.425 0.000 1.236 234 L HN 0.547 nan 8.230 nan 0.000 0.419 235 N N 4.419 123.085 118.700 -0.057 0.000 2.479 235 N HA 0.609 5.349 4.740 0.000 0.000 0.261 235 N C -1.369 174.079 175.510 -0.103 0.000 0.979 235 N CA -0.175 52.828 53.050 -0.079 0.000 0.930 235 N CB 1.950 40.420 38.487 -0.028 0.000 1.172 235 N HN 0.742 nan 8.380 nan 0.000 0.499 236 A N 3.133 125.861 122.820 -0.153 0.000 2.356 236 A HA 0.563 4.883 4.320 0.000 0.000 0.323 236 A C 0.015 177.490 177.584 -0.182 0.000 1.119 236 A CA -0.819 51.113 52.037 -0.175 0.000 0.790 236 A CB 1.331 20.207 19.000 -0.207 0.000 1.273 236 A HN 0.743 nan 8.150 nan 0.000 0.452 237 R N 0.635 121.010 120.500 -0.207 0.000 2.490 237 R HA 0.473 4.813 4.340 0.000 0.000 0.280 237 R C 0.116 176.254 176.300 -0.271 0.000 1.077 237 R CA 0.711 56.690 56.100 -0.202 0.000 1.065 237 R CB 0.492 30.654 30.300 -0.230 0.000 1.003 237 R HN 0.968 nan 8.270 nan 0.000 0.470 238 S N 1.598 117.154 115.700 -0.239 0.000 2.732 238 S HA 0.320 4.790 4.470 0.000 0.000 0.293 238 S C -0.258 174.183 174.600 -0.266 0.000 1.159 238 S CA -0.954 57.075 58.200 -0.285 0.000 0.847 238 S CB 1.399 64.501 63.200 -0.164 0.000 1.169 238 S HN 0.770 nan 8.310 nan 0.000 0.501 239 H N 0.108 119.158 119.070 -0.033 0.000 2.505 239 H HA 0.515 5.071 4.556 -0.000 0.000 0.286 239 H C 0.071 175.400 175.328 0.000 0.000 1.072 239 H CA -0.118 55.926 56.048 -0.006 0.000 1.141 239 H CB -0.262 29.497 29.762 -0.006 0.000 1.550 239 H HN 0.327 nan 8.280 nan 0.000 0.547 240 L N -0.396 120.867 121.223 0.067 0.000 2.687 240 L HA 0.404 4.744 4.340 0.000 0.000 0.252 240 L C 1.485 178.377 176.870 0.037 0.000 1.115 240 L CA -0.754 54.110 54.840 0.040 0.000 0.893 240 L CB 0.946 43.006 42.059 0.001 0.000 1.670 240 L HN -0.098 nan 8.230 nan 0.000 0.531 241 R N -0.338 120.175 120.500 0.022 0.000 2.334 241 R HA 0.391 4.731 4.340 0.000 0.000 0.216 241 R C -0.347 175.949 176.300 -0.007 0.000 0.905 241 R CA -0.019 56.099 56.100 0.030 0.000 1.064 241 R CB 0.503 30.824 30.300 0.035 0.000 1.046 241 R HN 0.582 nan 8.270 nan 0.000 0.508 242 A N 0.607 123.399 122.820 -0.046 0.000 2.587 242 A HA 0.558 4.878 4.320 0.000 0.000 0.293 242 A C -0.729 176.764 177.584 -0.151 0.000 1.087 242 A CA -0.964 51.009 52.037 -0.107 0.000 0.692 242 A CB 1.295 20.237 19.000 -0.097 0.000 1.291 242 A HN -0.034 nan 8.150 nan 0.000 0.407 243 R N -0.107 120.249 120.500 -0.240 0.000 2.738 243 R HA 0.425 4.765 4.340 0.000 0.000 0.268 243 R C -0.594 175.581 176.300 -0.208 0.000 1.062 243 R CA -0.219 55.722 56.100 -0.266 0.000 1.158 243 R CB 0.506 30.556 30.300 -0.417 0.000 1.046 243 R HN 0.432 nan 8.270 nan 0.000 0.493 244 V N 2.009 121.810 119.914 -0.188 0.000 2.459 244 V HA 0.304 4.424 4.120 0.000 0.000 0.295 244 V C 0.138 176.141 176.094 -0.151 0.000 1.029 244 V CA -0.541 61.668 62.300 -0.151 0.000 0.874 244 V CB 1.593 33.331 31.823 -0.141 0.000 0.985 244 V HN 0.607 nan 8.190 nan 0.000 0.438 245 Q N 2.746 122.478 119.800 -0.112 0.000 2.423 245 Q HA 0.862 5.202 4.340 0.000 0.000 0.278 245 Q C -1.276 174.695 176.000 -0.047 0.000 1.097 245 Q CA -0.634 55.121 55.803 -0.080 0.000 0.809 245 Q CB 2.588 31.304 28.738 -0.035 0.000 1.391 245 Q HN 0.926 nan 8.270 nan 0.000 0.428 246 A N 2.212 125.017 122.820 -0.025 0.000 2.589 246 A HA 0.530 4.850 4.320 0.000 0.000 0.296 246 A C -1.892 175.862 177.584 0.284 0.000 1.062 246 A CA -0.746 51.337 52.037 0.077 0.000 0.686 246 A CB 1.935 20.921 19.000 -0.024 0.000 1.282 246 A HN 0.741 nan 8.150 nan 0.000 0.404 247 Q N 0.163 120.178 119.800 0.360 0.000 2.377 247 Q HA 0.822 5.162 4.340 0.000 0.000 0.271 247 Q C -0.699 175.405 176.000 0.173 0.000 1.077 247 Q CA -0.699 55.296 55.803 0.319 0.000 0.820 247 Q CB 2.102 30.922 28.738 0.138 0.000 1.347 247 Q HN 0.769 nan 8.270 nan 0.000 0.444 248 S N 0.264 115.889 115.700 -0.125 0.000 2.521 248 S HA 0.396 4.866 4.470 0.000 0.000 0.295 248 S C 0.083 174.558 174.600 -0.209 0.000 1.098 248 S CA -0.171 57.763 58.200 -0.442 0.000 0.999 248 S CB 1.535 64.044 63.200 -1.151 0.000 1.034 248 S HN 0.754 nan 8.310 nan 0.000 0.483 249 T N 0.576 115.037 114.554 -0.155 0.000 3.069 249 T HA 0.177 4.527 4.350 0.000 0.000 0.252 249 T C 0.386 175.037 174.700 -0.080 0.000 1.053 249 T CA -0.180 61.869 62.100 -0.085 0.000 0.964 249 T CB -0.546 68.290 68.868 -0.054 0.000 1.005 249 T HN 0.623 nan 8.240 nan 0.000 0.532 250 N N 0.915 119.543 118.700 -0.119 0.000 2.599 250 N HA 0.159 4.899 4.740 0.000 0.000 0.309 250 N C -0.885 174.587 175.510 -0.064 0.000 1.743 250 N CA -0.445 52.563 53.050 -0.070 0.000 0.918 250 N CB -0.057 38.399 38.487 -0.052 0.000 1.339 250 N HN 0.014 nan 8.380 nan 0.000 0.493 251 D N -0.231 120.131 120.400 -0.063 0.000 3.012 251 D HA -0.151 4.489 4.640 0.000 0.000 0.222 251 D C 1.039 177.296 176.300 -0.071 0.000 1.167 251 D CA 1.884 55.867 54.000 -0.028 0.000 0.854 251 D CB -1.457 39.381 40.800 0.062 0.000 1.107 251 D HN 0.812 nan 8.370 nan 0.000 0.421 252 G N -1.186 107.475 108.800 -0.231 0.000 2.179 252 G HA2 -0.339 3.621 3.960 0.000 0.000 0.220 252 G HA3 -0.339 3.621 3.960 0.000 0.000 0.220 252 G C 1.069 175.887 174.900 -0.138 0.000 0.990 252 G CA 0.332 45.273 45.100 -0.264 0.000 0.646 252 G HN 0.456 nan 8.290 nan 0.000 0.517 253 L N -0.059 121.098 121.223 -0.111 0.000 2.156 253 L HA 0.221 4.561 4.340 0.000 0.000 0.208 253 L C 0.485 177.391 176.870 0.059 0.000 1.095 253 L CA 1.261 56.098 54.840 -0.005 0.000 0.770 253 L CB -0.086 41.983 42.059 0.016 0.000 0.914 253 L HN 0.213 nan 8.230 nan 0.000 0.439 254 D N -1.502 118.850 120.400 -0.079 0.000 2.964 254 D HA 0.363 5.003 4.640 0.000 0.000 0.234 254 D C -1.270 174.900 176.300 -0.216 0.000 1.223 254 D CA -0.344 53.648 54.000 -0.013 0.000 0.889 254 D CB 2.451 43.247 40.800 -0.007 0.000 1.609 254 D HN -0.236 nan 8.370 nan 0.000 0.523 255 F N 1.212 121.192 119.950 0.049 0.000 2.480 255 F HA 0.252 4.779 4.527 -0.000 0.000 0.329 255 F C 1.217 177.028 175.800 0.019 0.000 1.091 255 F CA -0.628 57.393 58.000 0.035 0.000 0.972 255 F CB 1.592 40.617 39.000 0.041 0.000 1.150 255 F HN 0.023 nan 8.300 nan 0.000 0.467 256 Q N 0.685 120.590 119.800 0.174 0.000 2.584 256 Q HA 0.052 4.393 4.340 0.000 0.000 0.218 256 Q C -0.036 176.034 176.000 0.117 0.000 1.079 256 Q CA -0.410 55.454 55.803 0.102 0.000 1.008 256 Q CB 0.365 29.145 28.738 0.070 0.000 1.267 256 Q HN 0.585 nan 8.270 nan 0.000 0.586 257 E N 0.338 120.578 120.200 0.067 0.000 2.608 257 E HA -0.065 4.285 4.350 0.000 0.000 0.259 257 E C -0.904 175.724 176.600 0.047 0.000 0.951 257 E CA -0.136 56.294 56.400 0.050 0.000 0.945 257 E CB 0.523 30.239 29.700 0.027 0.000 0.916 257 E HN 0.341 nan 8.360 nan 0.000 0.477 258 S N 3.245 118.963 115.700 0.030 0.000 2.572 258 S HA 0.098 4.568 4.470 0.000 0.000 0.279 258 S C -0.308 174.287 174.600 -0.008 0.000 1.341 258 S CA -0.320 57.880 58.200 0.000 0.000 1.043 258 S CB 0.976 64.160 63.200 -0.028 0.000 0.887 258 S HN 0.468 nan 8.310 nan 0.000 0.516 259 Q N 0.968 120.756 119.800 -0.020 0.000 2.423 259 Q HA 0.504 4.844 4.340 0.000 0.000 0.278 259 Q C -1.217 174.756 176.000 -0.045 0.000 1.097 259 Q CA -0.750 55.040 55.803 -0.022 0.000 0.809 259 Q CB 1.837 30.570 28.738 -0.007 0.000 1.391 259 Q HN 0.504 nan 8.270 nan 0.000 0.428 260 L N 1.411 122.608 121.223 -0.044 0.000 2.292 260 L HA 0.368 4.708 4.340 0.000 0.000 0.284 260 L C -0.508 176.321 176.870 -0.068 0.000 1.065 260 L CA -0.755 54.047 54.840 -0.064 0.000 0.806 260 L CB 1.201 43.229 42.059 -0.051 0.000 1.175 260 L HN 0.345 nan 8.230 nan 0.000 0.431 261 V N 4.132 123.977 119.914 -0.115 0.000 2.240 261 V HA 0.054 4.174 4.120 0.000 0.000 0.265 261 V C 1.130 177.135 176.094 -0.149 0.000 1.073 261 V CA -0.615 61.607 62.300 -0.129 0.000 0.857 261 V CB 0.440 32.120 31.823 -0.239 0.000 1.114 261 V HN 0.833 nan 8.190 nan 0.000 0.469 262 K N 3.116 123.469 120.400 -0.079 0.000 2.211 262 K HA -0.165 4.155 4.320 0.000 0.000 0.204 262 K C 1.478 178.040 176.600 -0.063 0.000 1.047 262 K CA 1.471 57.721 56.287 -0.061 0.000 0.935 262 K CB -0.019 32.465 32.500 -0.025 0.000 0.728 262 K HN 0.455 nan 8.250 nan 0.000 0.452 263 K N 0.677 121.042 120.400 -0.058 0.000 2.362 263 K HA 0.056 4.376 4.320 0.000 0.000 0.200 263 K C 0.181 176.711 176.600 -0.117 0.000 1.046 263 K CA 0.508 56.783 56.287 -0.019 0.000 0.952 263 K CB -0.040 32.505 32.500 0.075 0.000 0.753 263 K HN 0.208 nan 8.250 nan 0.000 0.466 264 L N 1.808 122.830 121.223 -0.335 0.000 2.313 264 L HA 0.239 4.579 4.340 0.000 0.000 0.273 264 L C -0.220 176.444 176.870 -0.342 0.000 1.028 264 L CA -0.723 53.780 54.840 -0.561 0.000 0.871 264 L CB 1.425 42.844 42.059 -1.066 0.000 1.242 264 L HN -0.173 nan 8.230 nan 0.000 0.434 265 V N 3.534 123.357 119.914 -0.151 0.000 2.843 265 V HA 0.149 4.269 4.120 0.000 0.000 0.305 265 V C 0.134 176.170 176.094 -0.096 0.000 1.065 265 V CA 0.260 62.524 62.300 -0.060 0.000 1.116 265 V CB 1.300 33.162 31.823 0.065 0.000 0.968 265 V HN 0.667 nan 8.190 nan 0.000 0.487 266 E N 6.412 126.610 120.200 -0.003 0.000 2.246 266 E HA 0.418 4.768 4.350 0.000 0.000 0.266 266 E C -2.726 173.965 176.600 0.153 0.000 0.880 266 E CA -1.842 54.605 56.400 0.079 0.000 0.762 266 E CB 2.345 32.047 29.700 0.003 0.000 1.180 266 E HN 0.513 nan 8.360 nan 0.000 0.416 267 P HA 0.227 nan 4.420 nan 0.000 0.284 267 P C -2.567 174.854 177.300 0.201 0.000 1.343 267 P CA -1.416 61.816 63.100 0.220 0.000 0.826 267 P CB 0.610 32.427 31.700 0.195 0.000 0.956 268 P HA 0.179 nan 4.420 nan 0.000 0.274 268 P C -1.753 175.646 177.300 0.164 0.000 1.246 268 P CA -1.435 61.761 63.100 0.160 0.000 0.795 268 P CB 0.197 31.970 31.700 0.122 0.000 1.006 269 P HA 0.047 nan 4.420 nan 0.000 0.251 269 P C 1.001 178.387 177.300 0.143 0.000 1.223 269 P CA 0.797 63.952 63.100 0.091 0.000 0.796 269 P CB 0.466 32.178 31.700 0.020 0.000 1.068 270 Q N 0.099 120.002 119.800 0.172 0.000 2.250 270 Q HA 0.191 4.531 4.340 0.000 0.000 0.200 270 Q C 1.379 177.543 176.000 0.273 0.000 0.941 270 Q CA 1.037 56.986 55.803 0.244 0.000 0.872 270 Q CB -0.375 28.460 28.738 0.162 0.000 0.965 270 Q HN 0.303 nan 8.270 nan 0.000 0.480 271 G N 0.573 109.490 108.800 0.194 0.000 2.796 271 G HA2 -0.254 3.706 3.960 0.000 0.000 0.226 271 G HA3 -0.254 3.706 3.960 0.000 0.000 0.226 271 G C -0.551 174.421 174.900 0.120 0.000 1.381 271 G CA -0.285 44.899 45.100 0.141 0.000 0.867 271 G HN 0.466 nan 8.290 nan 0.000 0.552 272 C N -0.435 118.925 119.300 0.101 0.000 3.171 272 C HA 0.664 5.124 4.460 0.000 0.000 0.336 272 C C 0.169 175.066 174.990 -0.154 0.000 1.198 272 C CA -0.188 58.813 59.018 -0.028 0.000 1.319 272 C CB 1.460 29.105 27.740 -0.158 0.000 1.682 272 C HN 1.175 nan 8.230 nan 0.000 0.497 273 Q N 2.090 121.585 119.800 -0.509 0.000 2.392 273 Q HA 0.511 4.851 4.340 0.000 0.000 0.262 273 Q C -0.015 175.805 176.000 -0.300 0.000 1.003 273 Q CA 0.766 56.211 55.803 -0.598 0.000 0.888 273 Q CB 1.335 29.226 28.738 -1.410 0.000 1.260 273 Q HN 1.081 nan 8.270 nan 0.000 0.435 274 G N 0.989 109.732 108.800 -0.095 0.000 2.694 274 G HA2 0.473 4.433 3.960 0.000 0.000 0.290 274 G HA3 0.473 4.433 3.960 0.000 0.000 0.290 274 G C -1.649 173.230 174.900 -0.035 0.000 1.386 274 G CA -0.413 44.656 45.100 -0.052 0.000 0.872 274 G HN 0.536 nan 8.290 nan 0.000 0.475 275 S N -1.358 114.295 115.700 -0.077 0.000 2.536 275 S HA 0.760 5.230 4.470 0.000 0.000 0.298 275 S C -1.165 173.571 174.600 0.225 0.000 1.083 275 S CA -0.650 57.621 58.200 0.118 0.000 0.995 275 S CB 1.751 65.059 63.200 0.181 0.000 1.058 275 S HN 1.288 nan 8.310 nan 0.000 0.488 276 V N 6.033 126.160 119.914 0.355 0.000 2.841 276 V HA 0.800 4.920 4.120 0.000 0.000 0.310 276 V C -1.211 175.148 176.094 0.441 0.000 1.090 276 V CA -0.745 61.808 62.300 0.422 0.000 0.930 276 V CB 1.610 33.678 31.823 0.409 0.000 1.014 276 V HN 0.925 nan 8.190 nan 0.000 0.425 277 I N 3.059 123.877 120.570 0.414 0.000 2.994 277 I HA 0.887 5.057 4.170 0.000 0.000 0.306 277 I C -0.383 175.977 176.117 0.405 0.000 1.195 277 I CA -0.615 60.922 61.300 0.395 0.000 1.001 277 I CB 2.379 40.563 38.000 0.307 0.000 1.244 277 I HN 0.645 nan 8.210 nan 0.000 0.437 278 S N 2.510 118.428 115.700 0.364 0.000 2.638 278 S HA 0.908 5.378 4.470 0.000 0.000 0.298 278 S C -0.720 174.135 174.600 0.425 0.000 1.111 278 S CA -0.518 57.865 58.200 0.305 0.000 1.027 278 S CB 1.643 64.959 63.200 0.192 0.000 1.064 278 S HN 0.936 nan 8.310 nan 0.000 0.525 279 F N -2.812 117.268 119.950 0.217 0.000 2.678 279 F HA 0.743 5.270 4.527 0.000 0.000 0.308 279 F C -3.536 172.320 175.800 0.092 0.000 1.118 279 F CA -2.544 55.563 58.000 0.180 0.000 0.959 279 F CB 0.304 39.478 39.000 0.290 0.000 1.305 279 F HN 0.337 nan 8.300 nan 0.000 0.443 280 P HA 0.047 nan 4.420 nan 0.000 0.262 280 P C -0.206 176.937 177.300 -0.262 0.000 1.182 280 P CA 0.268 63.336 63.100 -0.054 0.000 0.761 280 P CB 0.888 32.601 31.700 0.021 0.000 0.795 281 S N 4.601 120.018 115.700 -0.472 0.000 2.552 281 S HA 0.059 4.529 4.470 0.000 0.000 0.289 281 S C -1.361 172.850 174.600 -0.647 0.000 1.304 281 S CA -0.795 56.845 58.200 -0.933 0.000 1.063 281 S CB -0.296 62.479 63.200 -0.708 0.000 0.848 281 S HN 0.278 nan 8.310 nan 0.000 0.499 282 P HA 0.118 nan 4.420 nan 0.000 0.242 282 P C -0.067 177.042 177.300 -0.318 0.000 1.197 282 P CA 0.594 63.449 63.100 -0.407 0.000 0.765 282 P CB 0.223 31.693 31.700 -0.384 0.000 0.936 289 P HA 0.272 nan 4.420 nan 0.000 0.264 289 P C 0.709 178.033 177.300 0.041 0.000 1.179 289 P CA 0.057 63.195 63.100 0.063 0.000 0.763 289 P CB 0.516 32.276 31.700 0.101 0.000 0.806 290 A N 2.500 125.324 122.820 0.008 0.000 1.929 290 A HA -0.072 4.248 4.320 0.000 0.000 0.216 290 A C 0.713 178.259 177.584 -0.063 0.000 1.176 290 A CA 1.317 53.339 52.037 -0.026 0.000 0.628 290 A CB -0.230 18.763 19.000 -0.010 0.000 0.816 290 A HN 0.676 nan 8.150 nan 0.000 0.444 291 Q N -2.812 116.972 119.800 -0.027 0.000 2.433 291 Q HA 0.556 4.896 4.340 0.000 0.000 0.279 291 Q C -1.384 174.640 176.000 0.039 0.000 1.105 291 Q CA -0.435 55.321 55.803 -0.079 0.000 0.815 291 Q CB 1.651 30.369 28.738 -0.032 0.000 1.403 291 Q HN 0.519 nan 8.270 nan 0.000 0.435 292 W N 0.818 121.778 121.300 -0.566 0.000 2.820 292 W HA 0.691 5.351 4.660 0.000 0.000 0.350 292 W C -1.022 175.196 176.519 -0.500 0.000 1.116 292 W CA -0.806 56.175 57.345 -0.607 0.000 1.146 292 W CB 0.817 29.779 29.460 -0.829 0.000 1.433 292 W HN 0.439 nan 8.180 nan 0.000 0.561 293 L N 2.417 123.607 121.223 -0.055 0.000 2.342 293 L HA 0.604 4.944 4.340 0.000 0.000 0.271 293 L C -0.974 176.135 176.870 0.398 0.000 1.008 293 L CA -1.241 53.696 54.840 0.163 0.000 0.818 293 L CB 1.694 43.797 42.059 0.073 0.000 1.296 293 L HN 0.102 nan 8.230 nan 0.000 0.427 294 L N 2.871 124.423 121.223 0.549 0.000 2.365 294 L HA 0.565 4.905 4.340 0.000 0.000 0.273 294 L C -1.443 175.741 176.870 0.525 0.000 1.000 294 L CA -0.266 54.863 54.840 0.481 0.000 0.819 294 L CB 1.717 43.848 42.059 0.120 0.000 1.284 294 L HN 0.469 nan 8.230 nan 0.000 0.418 295 Y N 2.889 123.415 120.300 0.377 0.000 2.504 295 Y HA 0.743 5.293 4.550 0.000 0.000 0.344 295 Y C -1.063 174.973 175.900 0.226 0.000 1.023 295 Y CA -0.392 57.833 58.100 0.209 0.000 1.020 295 Y CB 2.056 40.471 38.460 -0.073 0.000 1.282 295 Y HN 0.757 nan 8.280 nan 0.000 0.454 296 T N 3.235 117.557 114.554 -0.386 0.000 2.863 296 T HA 0.594 4.944 4.350 0.000 0.000 0.285 296 T C -1.441 172.918 174.700 -0.568 0.000 1.009 296 T CA -0.531 61.387 62.100 -0.303 0.000 0.989 296 T CB 1.814 70.637 68.868 -0.075 0.000 1.004 296 T HN 0.959 nan 8.240 nan 0.000 0.455 297 H N 1.323 120.153 119.070 -0.400 0.000 2.984 297 H HA 0.313 4.869 4.556 0.000 0.000 0.298 297 H C -3.327 171.970 175.328 -0.052 0.000 1.378 297 H CA -1.039 54.838 56.048 -0.286 0.000 1.241 297 H CB 1.899 31.394 29.762 -0.444 0.000 1.894 297 H HN 0.498 nan 8.280 nan 0.000 0.511 298 P HA 0.034 nan 4.420 nan 0.000 0.269 298 P C 0.574 178.037 177.300 0.272 0.000 1.215 298 P CA 0.300 63.405 63.100 0.009 0.000 0.780 298 P CB 0.732 32.361 31.700 -0.118 0.000 0.898 299 T N -3.674 110.979 114.554 0.165 0.000 3.054 299 T HA 0.022 4.372 4.350 0.000 0.000 0.255 299 T C 0.812 175.588 174.700 0.128 0.000 1.035 299 T CA 0.116 62.325 62.100 0.181 0.000 0.941 299 T CB -0.510 68.396 68.868 0.063 0.000 1.026 299 T HN 0.408 nan 8.240 nan 0.000 0.533 300 H N 2.455 121.530 119.070 0.009 0.000 2.732 300 H HA 0.240 4.796 4.556 0.000 0.000 0.351 300 H C 1.505 176.837 175.328 0.008 0.000 1.090 300 H CA 0.777 56.793 56.048 -0.053 0.000 1.431 300 H CB 1.741 31.396 29.762 -0.178 0.000 1.447 300 H HN 0.349 nan 8.280 nan 0.000 0.582 301 S N 4.275 119.983 115.700 0.014 0.000 2.447 301 S HA -0.115 4.355 4.470 0.000 0.000 0.233 301 S C 1.298 176.163 174.600 0.443 0.000 1.006 301 S CA 0.965 59.297 58.200 0.221 0.000 0.957 301 S CB -0.078 63.245 63.200 0.206 0.000 0.773 301 S HN 0.854 nan 8.310 nan 0.000 0.507 302 W N -0.229 121.319 121.300 0.413 0.000 1.497 302 W HA 0.514 5.174 4.660 0.000 0.000 0.221 302 W C -0.416 176.165 176.519 0.103 0.000 0.795 302 W CA -0.651 56.827 57.345 0.220 0.000 1.057 302 W CB -0.418 29.138 29.460 0.159 0.000 0.935 302 W HN 0.208 nan 8.180 nan 0.000 0.468 303 Q N 1.289 120.881 119.800 -0.347 0.000 2.433 303 Q HA 0.486 4.827 4.340 0.000 0.000 0.279 303 Q C -0.404 175.430 176.000 -0.277 0.000 1.105 303 Q CA -1.010 54.446 55.803 -0.577 0.000 0.815 303 Q CB 2.695 30.635 28.738 -1.329 0.000 1.403 303 Q HN -0.110 nan 8.270 nan 0.000 0.435 304 R N 0.828 121.208 120.500 -0.199 0.000 2.891 304 R HA 0.533 4.873 4.340 0.000 0.000 0.248 304 R C -0.949 175.252 176.300 -0.165 0.000 1.439 304 R CA -0.036 55.992 56.100 -0.120 0.000 1.288 304 R CB 0.229 30.501 30.300 -0.046 0.000 1.212 304 R HN 0.477 nan 8.270 nan 0.000 0.605 305 A N 1.469 124.203 122.820 -0.144 0.000 2.609 305 A HA 0.416 4.736 4.320 0.000 0.000 0.291 305 A C -1.230 176.323 177.584 -0.051 0.000 1.096 305 A CA -0.882 51.081 52.037 -0.122 0.000 0.684 305 A CB 1.161 20.046 19.000 -0.191 0.000 1.282 305 A HN 0.607 nan 8.150 nan 0.000 0.412 306 D N -0.181 120.181 120.400 -0.064 0.000 3.133 306 D HA -0.138 4.502 4.640 0.000 0.000 0.239 306 D C -0.320 175.923 176.300 -0.096 0.000 1.136 306 D CA 0.881 54.838 54.000 -0.071 0.000 0.898 306 D CB -1.044 39.735 40.800 -0.035 0.000 0.959 306 D HN 0.700 nan 8.370 nan 0.000 0.415 307 L N 0.775 121.899 121.223 -0.165 0.000 2.540 307 L HA 0.373 4.713 4.340 0.000 0.000 0.276 307 L C 1.030 177.778 176.870 -0.203 0.000 1.212 307 L CA 1.053 55.766 54.840 -0.212 0.000 0.893 307 L CB 0.708 42.512 42.059 -0.425 0.000 1.138 307 L HN 0.326 nan 8.230 nan 0.000 0.491 308 G N 3.585 112.314 108.800 -0.119 0.000 2.533 308 G HA2 0.768 4.728 3.960 0.000 0.000 0.304 308 G HA3 0.768 4.728 3.960 0.000 0.000 0.304 308 G C -1.673 173.178 174.900 -0.080 0.000 1.263 308 G CA -0.308 44.683 45.100 -0.182 0.000 0.964 308 G HN 0.952 nan 8.290 nan 0.000 0.479 309 A N 0.469 123.210 122.820 -0.132 0.000 2.304 309 A HA 0.824 5.144 4.320 0.000 0.000 0.323 309 A C -1.358 176.421 177.584 0.326 0.000 1.195 309 A CA -0.587 51.532 52.037 0.135 0.000 0.826 309 A CB 0.653 19.669 19.000 0.028 0.000 1.184 309 A HN 0.639 nan 8.150 nan 0.000 0.496 310 Y N 0.964 121.528 120.300 0.440 0.000 2.485 310 Y HA 0.623 5.174 4.550 0.000 0.000 0.345 310 Y C -0.299 175.932 175.900 0.551 0.000 0.998 310 Y CA -1.015 57.398 58.100 0.522 0.000 1.059 310 Y CB 2.171 40.887 38.460 0.426 0.000 1.234 310 Y HN 0.630 nan 8.280 nan 0.000 0.461 311 L N 3.093 124.591 121.223 0.459 0.000 2.346 311 L HA 0.549 4.889 4.340 0.000 0.000 0.274 311 L C -1.184 175.586 176.870 -0.167 0.000 1.007 311 L CA -0.521 54.347 54.840 0.047 0.000 0.818 311 L CB 1.610 43.327 42.059 -0.571 0.000 1.284 311 L HN 0.672 nan 8.230 nan 0.000 0.424 312 N N 5.303 123.671 118.700 -0.553 0.000 2.573 312 N HA 0.436 5.176 4.740 0.000 0.000 0.262 312 N C -2.387 172.587 175.510 -0.893 0.000 1.029 312 N CA -1.745 50.715 53.050 -0.983 0.000 0.882 312 N CB 2.350 39.755 38.487 -1.804 0.000 1.204 312 N HN 0.421 nan 8.380 nan 0.000 0.519 313 P HA 0.114 nan 4.420 nan 0.000 0.249 313 P C -0.334 176.480 177.300 -0.811 0.000 1.229 313 P CA 0.380 62.506 63.100 -1.624 0.000 0.788 313 P CB 0.562 31.300 31.700 -1.603 0.000 1.072 314 R N 0.707 120.873 120.500 -0.556 0.000 2.701 314 R HA 0.296 4.636 4.340 0.000 0.000 0.281 314 R C -2.515 173.598 176.300 -0.313 0.000 1.367 314 R CA -1.577 54.330 56.100 -0.322 0.000 1.510 314 R CB 0.863 31.009 30.300 -0.257 0.000 1.306 314 R HN 0.200 nan 8.270 nan 0.000 0.682 315 P HA 0.069 nan 4.420 nan 0.000 0.269 315 P C -2.239 174.975 177.300 -0.142 0.000 1.209 315 P CA -0.833 62.101 63.100 -0.276 0.000 0.776 315 P CB 1.025 32.588 31.700 -0.229 0.000 0.876 316 P HA 0.158 nan 4.420 nan 0.000 0.266 316 P C 0.167 177.397 177.300 -0.117 0.000 1.561 316 P CA -0.253 62.782 63.100 -0.108 0.000 1.089 316 P CB -0.126 31.582 31.700 0.014 0.000 1.534 317 A N 2.370 125.094 122.820 -0.159 0.000 2.572 317 A HA 0.039 4.359 4.320 0.000 0.000 0.256 317 A C -1.131 176.386 177.584 -0.111 0.000 1.041 317 A CA -0.307 51.656 52.037 -0.122 0.000 0.790 317 A CB -0.605 18.310 19.000 -0.142 0.000 0.947 317 A HN 0.129 nan 8.150 nan 0.000 0.518 318 P HA -0.213 nan 4.420 nan 0.000 0.217 318 P C 1.374 178.758 177.300 0.141 0.000 1.148 318 P CA 1.594 64.785 63.100 0.152 0.000 0.828 318 P CB 0.186 31.933 31.700 0.079 0.000 0.783 319 E N -0.250 119.965 120.200 0.025 0.000 2.427 319 E HA -0.038 4.312 4.350 0.000 0.000 0.196 319 E C 1.453 178.035 176.600 -0.031 0.000 1.028 319 E CA 1.046 57.452 56.400 0.010 0.000 0.864 319 E CB -0.823 28.868 29.700 -0.015 0.000 0.813 319 E HN 0.161 nan 8.360 nan 0.000 0.514 320 A N 0.543 123.285 122.820 -0.130 0.000 2.251 320 A HA 0.115 4.435 4.320 0.000 0.000 0.209 320 A C 0.223 177.651 177.584 -0.260 0.000 1.187 320 A CA -0.558 51.338 52.037 -0.234 0.000 0.823 320 A CB -0.630 18.160 19.000 -0.350 0.000 0.846 320 A HN 0.223 nan 8.150 nan 0.000 0.486 321 W N 1.832 123.069 121.300 -0.104 0.000 2.223 321 W HA 0.299 4.959 4.660 -0.000 0.000 0.334 321 W C 1.165 177.679 176.519 -0.008 0.000 1.334 321 W CA 0.559 57.862 57.345 -0.070 0.000 1.246 321 W CB 0.640 30.047 29.460 -0.087 0.000 1.184 321 W HN 0.321 nan 8.180 nan 0.000 0.563 322 S N 2.036 117.922 115.700 0.309 0.000 2.655 322 S HA 0.277 4.747 4.470 0.000 0.000 0.265 322 S C 0.074 174.852 174.600 0.296 0.000 1.240 322 S CA -1.001 57.330 58.200 0.219 0.000 0.986 322 S CB 0.931 64.226 63.200 0.158 0.000 0.985 322 S HN 0.451 nan 8.310 nan 0.000 0.562 323 E N 2.115 122.424 120.200 0.180 0.000 2.390 323 E HA 0.319 4.669 4.350 0.000 0.000 0.261 323 E C -2.065 174.543 176.600 0.013 0.000 1.076 323 E CA -1.729 54.732 56.400 0.103 0.000 0.905 323 E CB 0.242 29.975 29.700 0.055 0.000 0.984 323 E HN 0.541 nan 8.360 nan 0.000 0.427 324 P HA 0.161 nan 4.420 nan 0.000 0.276 324 P C -0.498 176.617 177.300 -0.308 0.000 1.244 324 P CA -0.382 62.357 63.100 -0.601 0.000 0.801 324 P CB 0.935 31.878 31.700 -1.262 0.000 1.006 325 V N 2.973 122.693 119.914 -0.324 0.000 2.459 325 V HA 0.154 4.274 4.120 0.000 0.000 0.295 325 V C 0.473 176.361 176.094 -0.343 0.000 1.029 325 V CA -0.909 61.178 62.300 -0.356 0.000 0.874 325 V CB 1.444 32.903 31.823 -0.607 0.000 0.985 325 V HN 0.424 nan 8.190 nan 0.000 0.438 326 L N 5.370 126.426 121.223 -0.278 0.000 2.433 326 L HA 0.247 4.587 4.340 0.000 0.000 0.275 326 L C 0.748 177.444 176.870 -0.289 0.000 1.128 326 L CA 0.813 55.504 54.840 -0.248 0.000 0.875 326 L CB 0.210 42.160 42.059 -0.180 0.000 1.171 326 L HN 0.614 nan 8.230 nan 0.000 0.463 327 L N 4.852 125.881 121.223 -0.323 0.000 2.298 327 L HA 0.381 4.721 4.340 0.000 0.000 0.209 327 L C 0.619 177.317 176.870 -0.287 0.000 1.084 327 L CA 0.525 55.139 54.840 -0.376 0.000 0.816 327 L CB -0.156 41.630 42.059 -0.455 0.000 0.967 327 L HN 0.790 nan 8.230 nan 0.000 0.460 328 A N -0.001 122.662 122.820 -0.263 0.000 2.513 328 A HA 0.488 4.808 4.320 0.000 0.000 0.296 328 A C -1.025 176.482 177.584 -0.127 0.000 1.052 328 A CA -0.714 51.220 52.037 -0.171 0.000 0.714 328 A CB 1.056 19.944 19.000 -0.188 0.000 1.279 328 A HN -0.032 nan 8.150 nan 0.000 0.397 329 K N 1.036 121.390 120.400 -0.076 0.000 2.098 329 K HA 0.691 5.011 4.320 0.000 0.000 0.257 329 K C 0.753 177.328 176.600 -0.042 0.000 0.999 329 K CA 0.568 56.819 56.287 -0.060 0.000 0.924 329 K CB 1.132 33.603 32.500 -0.048 0.000 1.028 329 K HN 1.983 nan 8.250 nan 0.000 0.466 330 G N 0.546 109.318 108.800 -0.047 0.000 2.627 330 G HA2 -0.255 3.705 3.960 0.000 0.000 0.214 330 G HA3 -0.255 3.705 3.960 0.000 0.000 0.214 330 G C -0.477 174.382 174.900 -0.069 0.000 1.331 330 G CA -0.427 44.642 45.100 -0.051 0.000 0.891 330 G HN 0.551 nan 8.290 nan 0.000 0.539 331 S N -0.887 114.764 115.700 -0.081 0.000 2.546 331 S HA 0.428 4.898 4.470 0.000 0.000 0.290 331 S C 0.291 174.841 174.600 -0.083 0.000 1.262 331 S CA 0.728 58.856 58.200 -0.119 0.000 1.083 331 S CB -1.218 61.895 63.200 -0.145 0.000 0.859 331 S HN 1.422 nan 8.310 nan 0.000 0.495 332 C N 3.815 123.058 119.300 -0.095 0.000 2.880 332 C HA 0.857 5.317 4.460 0.000 0.000 0.320 332 C C 0.769 175.732 174.990 -0.046 0.000 1.176 332 C CA -0.323 58.688 59.018 -0.011 0.000 1.390 332 C CB 1.067 28.789 27.740 -0.030 0.000 1.846 332 C HN 1.082 nan 8.230 nan 0.000 0.478 333 A N 0.806 123.652 122.820 0.043 0.000 2.905 333 A HA 0.789 5.109 4.320 0.000 0.000 0.193 333 A C -0.977 176.757 177.584 0.251 0.000 1.268 333 A CA -0.026 52.093 52.037 0.136 0.000 1.416 333 A CB -0.462 18.677 19.000 0.231 0.000 1.753 333 A HN 0.690 nan 8.150 nan 0.000 0.583 334 Y N 1.544 121.899 120.300 0.092 0.000 2.550 334 Y HA 0.400 4.950 4.550 0.000 0.000 0.343 334 Y C 1.182 177.161 175.900 0.132 0.000 1.245 334 Y CA 0.160 58.313 58.100 0.088 0.000 1.462 334 Y CB 0.350 38.883 38.460 0.121 0.000 1.340 334 Y HN 0.666 nan 8.280 nan 0.000 0.604 335 S N 0.940 116.786 115.700 0.242 0.000 2.607 335 S HA 0.640 5.110 4.470 0.000 0.000 0.273 335 S C -1.729 173.012 174.600 0.234 0.000 1.148 335 S CA -1.008 57.340 58.200 0.246 0.000 0.833 335 S CB 3.009 66.305 63.200 0.160 0.000 1.130 335 S HN 0.611 nan 8.310 nan 0.000 0.470 336 D N 0.364 120.932 120.400 0.280 0.000 2.990 336 D HA 0.478 5.118 4.640 0.000 0.000 0.227 336 D C -1.385 175.094 176.300 0.298 0.000 1.249 336 D CA -0.355 53.835 54.000 0.317 0.000 0.891 336 D CB 1.692 42.712 40.800 0.365 0.000 1.647 336 D HN 0.633 nan 8.370 nan 0.000 0.530 337 L N 1.962 123.341 121.223 0.259 0.000 2.330 337 L HA 0.568 4.908 4.340 0.000 0.000 0.271 337 L C -0.162 176.743 176.870 0.059 0.000 1.013 337 L CA -0.718 54.230 54.840 0.181 0.000 0.816 337 L CB 1.909 44.067 42.059 0.164 0.000 1.287 337 L HN 0.290 nan 8.230 nan 0.000 0.435 338 Q N 1.012 120.882 119.800 0.115 0.000 2.320 338 Q HA 0.310 4.650 4.340 0.000 0.000 0.272 338 Q C -1.114 174.935 176.000 0.081 0.000 1.023 338 Q CA -0.553 55.296 55.803 0.077 0.000 0.855 338 Q CB 2.519 31.350 28.738 0.155 0.000 1.367 338 Q HN 0.749 nan 8.270 nan 0.000 0.406 339 S N 1.114 116.843 115.700 0.049 0.000 2.584 339 S HA 0.603 5.073 4.470 0.000 0.000 0.273 339 S C 0.514 174.813 174.600 -0.501 0.000 1.311 339 S CA -0.470 57.648 58.200 -0.138 0.000 1.034 339 S CB 0.721 63.907 63.200 -0.023 0.000 0.939 339 S HN 0.657 nan 8.310 nan 0.000 0.513 340 M N 2.297 121.420 119.600 -0.795 0.000 2.911 340 M HA 0.370 4.850 4.480 0.000 0.000 0.381 340 M C 0.853 176.594 176.300 -0.930 0.000 1.287 340 M CA -0.039 54.429 55.300 -1.386 0.000 0.858 340 M CB 0.334 32.297 32.600 -1.061 0.000 1.385 340 M HN 1.188 nan 8.290 nan 0.000 0.504 341 G N 0.777 109.237 108.800 -0.566 0.000 2.512 341 G HA2 -0.198 3.762 3.960 0.000 0.000 0.240 341 G HA3 -0.198 3.762 3.960 0.000 0.000 0.240 341 G C -0.456 174.234 174.900 -0.350 0.000 1.246 341 G CA -0.582 44.329 45.100 -0.315 0.000 0.919 341 G HN 0.291 nan 8.290 nan 0.000 0.577 342 T N 1.377 115.784 114.554 -0.245 0.000 2.799 342 T HA 0.629 4.979 4.350 0.000 0.000 0.286 342 T C 0.965 175.535 174.700 -0.217 0.000 0.973 342 T CA 0.567 62.538 62.100 -0.216 0.000 1.035 342 T CB 1.370 70.167 68.868 -0.117 0.000 0.932 342 T HN 1.427 nan 8.240 nan 0.000 0.469 343 G N 2.654 111.318 108.800 -0.226 0.000 2.599 343 G HA2 0.360 4.320 3.960 0.000 0.000 0.264 343 G HA3 0.360 4.320 3.960 0.000 0.000 0.264 343 G C -1.558 173.289 174.900 -0.087 0.000 1.200 343 G CA -1.461 43.540 45.100 -0.165 0.000 0.896 343 G HN 0.406 nan 8.290 nan 0.000 0.536 344 P HA -0.080 nan 4.420 nan 0.000 0.218 344 P C 1.047 178.287 177.300 -0.100 0.000 1.148 344 P CA 1.514 64.567 63.100 -0.078 0.000 0.822 344 P CB 0.153 31.745 31.700 -0.179 0.000 0.784 345 D N -2.407 117.925 120.400 -0.114 0.000 2.349 345 D HA 0.103 4.743 4.640 0.000 0.000 0.224 345 D C 1.448 177.679 176.300 -0.113 0.000 1.029 345 D CA 0.681 54.610 54.000 -0.118 0.000 0.879 345 D CB -0.829 39.886 40.800 -0.141 0.000 0.906 345 D HN 0.222 nan 8.370 nan 0.000 0.528 346 G N -0.254 108.486 108.800 -0.099 0.000 2.213 346 G HA2 -0.262 3.698 3.960 0.000 0.000 0.236 346 G HA3 -0.262 3.698 3.960 0.000 0.000 0.236 346 G C 0.423 175.277 174.900 -0.076 0.000 0.991 346 G CA 0.329 45.386 45.100 -0.072 0.000 0.629 346 G HN 0.863 nan 8.290 nan 0.000 0.517 347 S N 0.217 115.836 115.700 -0.135 0.000 2.687 347 S HA 0.775 5.245 4.470 0.000 0.000 0.283 347 S C -2.630 171.869 174.600 -0.168 0.000 1.170 347 S CA -1.493 56.644 58.200 -0.105 0.000 1.008 347 S CB 2.397 65.454 63.200 -0.239 0.000 1.026 347 S HN 0.065 nan 8.310 nan 0.000 0.541 348 P HA 0.145 nan 4.420 nan 0.000 0.262 348 P C -0.885 175.935 177.300 -0.801 0.000 1.182 348 P CA -0.117 62.677 63.100 -0.510 0.000 0.761 348 P CB 0.184 31.535 31.700 -0.581 0.000 0.795 349 L N 5.398 126.096 121.223 -0.876 0.000 2.307 349 L HA 0.591 4.931 4.340 0.000 0.000 0.282 349 L C -1.096 175.087 176.870 -1.146 0.000 1.051 349 L CA -0.003 54.354 54.840 -0.804 0.000 0.804 349 L CB 0.008 41.714 42.059 -0.588 0.000 1.197 349 L HN 0.166 nan 8.230 nan 0.000 0.431 350 F N 2.189 121.789 119.950 -0.583 0.000 2.576 350 F HA 0.764 5.291 4.527 0.000 0.000 0.313 350 F C 0.592 176.055 175.800 -0.562 0.000 1.078 350 F CA -0.659 56.957 58.000 -0.640 0.000 0.921 350 F CB 2.222 40.668 39.000 -0.924 0.000 1.232 350 F HN 0.543 nan 8.300 nan 0.000 0.459 351 G N 0.128 108.895 108.800 -0.054 0.000 2.495 351 G HA2 0.546 4.506 3.960 0.000 0.000 0.318 351 G HA3 0.546 4.506 3.960 0.000 0.000 0.318 351 G C -2.033 172.979 174.900 0.187 0.000 1.257 351 G CA -0.775 44.393 45.100 0.113 0.000 0.962 351 G HN 0.877 nan 8.290 nan 0.000 0.483 352 C N 3.313 122.717 119.300 0.173 0.000 2.481 352 C HA 0.742 5.202 4.460 0.000 0.000 0.324 352 C C -1.088 174.133 174.990 0.385 0.000 1.170 352 C CA -0.776 58.422 59.018 0.302 0.000 1.361 352 C CB 0.464 28.410 27.740 0.343 0.000 1.977 352 C HN 0.701 nan 8.230 nan 0.000 0.459 353 L N 7.332 128.807 121.223 0.421 0.000 2.313 353 L HA 0.786 5.126 4.340 0.000 0.000 0.283 353 L C -0.663 176.432 176.870 0.376 0.000 1.013 353 L CA 0.005 55.074 54.840 0.382 0.000 0.816 353 L CB 1.149 43.425 42.059 0.363 0.000 1.236 353 L HN 0.776 nan 8.230 nan 0.000 0.419 354 Y N 1.062 121.461 120.300 0.166 0.000 2.571 354 Y HA 0.654 5.204 4.550 0.000 0.000 0.341 354 Y C -0.843 175.123 175.900 0.110 0.000 1.076 354 Y CA -1.202 56.977 58.100 0.132 0.000 1.029 354 Y CB 0.990 39.501 38.460 0.083 0.000 1.308 354 Y HN 0.571 nan 8.280 nan 0.000 0.461 355 E N 1.961 122.280 120.200 0.199 0.000 2.338 355 E HA 0.620 4.970 4.350 0.000 0.000 0.272 355 E C -0.751 175.886 176.600 0.061 0.000 1.029 355 E CA -0.364 56.089 56.400 0.088 0.000 0.872 355 E CB 1.293 31.088 29.700 0.158 0.000 1.015 355 E HN 0.817 nan 8.360 nan 0.000 0.417 356 A N 2.991 125.778 122.820 -0.056 0.000 2.593 356 A HA 0.509 4.829 4.320 0.000 0.000 0.290 356 A C -0.434 177.098 177.584 -0.087 0.000 1.126 356 A CA -0.740 51.276 52.037 -0.035 0.000 0.695 356 A CB 1.268 20.275 19.000 0.012 0.000 1.290 356 A HN 0.654 nan 8.150 nan 0.000 0.414 357 N N 0.277 118.931 118.700 -0.077 0.000 2.671 357 N HA -0.175 4.565 4.740 0.000 0.000 0.261 357 N C -0.185 175.281 175.510 -0.072 0.000 1.053 357 N CA 1.868 54.879 53.050 -0.065 0.000 0.732 357 N CB -1.082 37.385 38.487 -0.033 0.000 0.887 357 N HN 1.187 nan 8.380 nan 0.000 0.546 358 D N 0.276 120.573 120.400 -0.172 0.000 2.689 358 D HA -0.276 4.364 4.640 0.000 0.000 0.237 358 D C -0.366 175.982 176.300 0.079 0.000 1.148 358 D CA 1.773 55.692 54.000 -0.135 0.000 0.656 358 D CB -1.372 39.466 40.800 0.064 0.000 1.050 358 D HN 0.691 nan 8.370 nan 0.000 0.426 359 Y N -2.693 117.675 120.300 0.114 0.000 4.409 359 Y HA -0.303 4.247 4.550 0.000 0.000 0.228 359 Y C 1.512 177.504 175.900 0.152 0.000 1.108 359 Y CA 1.133 59.313 58.100 0.133 0.000 1.955 359 Y CB -2.174 36.361 38.460 0.125 0.000 1.615 359 Y HN 0.461 nan 8.280 nan 0.000 0.665 360 E N 0.791 121.070 120.200 0.132 0.000 2.442 360 E HA 0.021 4.371 4.350 0.000 0.000 0.195 360 E C 0.891 177.515 176.600 0.040 0.000 1.030 360 E CA 0.952 57.356 56.400 0.007 0.000 0.869 360 E CB 0.298 29.968 29.700 -0.049 0.000 0.857 360 E HN 0.772 nan 8.360 nan 0.000 0.505 361 E N -0.218 120.014 120.200 0.054 0.000 2.422 361 E HA 0.389 4.739 4.350 0.000 0.000 0.280 361 E C -1.158 175.451 176.600 0.015 0.000 1.091 361 E CA -0.707 55.722 56.400 0.050 0.000 0.849 361 E CB 0.980 30.673 29.700 -0.012 0.000 1.353 361 E HN -0.118 nan 8.360 nan 0.000 0.449 362 I N 1.622 122.203 120.570 0.019 0.000 2.418 362 I HA 0.348 4.518 4.170 0.000 0.000 0.287 362 I C -0.826 175.202 176.117 -0.149 0.000 1.008 362 I CA -1.170 60.117 61.300 -0.022 0.000 1.104 362 I CB 1.933 40.036 38.000 0.172 0.000 1.264 362 I HN 0.311 nan 8.210 nan 0.000 0.438 363 V N 6.260 125.930 119.914 -0.406 0.000 2.532 363 V HA 0.351 4.471 4.120 0.000 0.000 0.295 363 V C -0.543 175.437 176.094 -0.189 0.000 1.041 363 V CA -0.667 61.387 62.300 -0.409 0.000 0.926 363 V CB 1.911 33.315 31.823 -0.698 0.000 0.992 363 V HN 0.445 nan 8.190 nan 0.000 0.457 364 F N 5.653 125.521 119.950 -0.137 0.000 2.427 364 F HA 0.754 5.281 4.527 0.000 0.000 0.346 364 F C -0.849 175.073 175.800 0.203 0.000 1.120 364 F CA -0.888 57.146 58.000 0.056 0.000 1.033 364 F CB 1.334 40.359 39.000 0.041 0.000 1.126 364 F HN 0.368 nan 8.300 nan 0.000 0.462 365 L N 7.717 128.643 121.223 -0.496 0.000 2.362 365 L HA 0.614 4.954 4.340 0.000 0.000 0.275 365 L C -1.321 175.212 176.870 -0.563 0.000 0.998 365 L CA -0.569 54.093 54.840 -0.297 0.000 0.820 365 L CB 1.765 43.910 42.059 0.145 0.000 1.270 365 L HN 0.826 nan 8.230 nan 0.000 0.415 366 M N 5.950 125.357 119.600 -0.322 0.000 2.259 366 M HA 0.686 5.166 4.480 0.000 0.000 0.304 366 M C -1.780 174.584 176.300 0.108 0.000 1.019 366 M CA -0.467 54.723 55.300 -0.184 0.000 0.922 366 M CB 1.242 33.822 32.600 -0.034 0.000 1.600 366 M HN 0.572 nan 8.290 nan 0.000 0.433 367 F N 0.733 120.688 119.950 0.008 0.000 2.711 367 F HA 0.873 5.400 4.527 -0.000 0.000 0.313 367 F C -0.912 174.938 175.800 0.083 0.000 1.141 367 F CA -0.786 57.237 58.000 0.039 0.000 0.941 367 F CB 0.909 39.925 39.000 0.026 0.000 1.349 367 F HN 0.565 nan 8.300 nan 0.000 0.464 368 T N -0.807 113.876 114.554 0.216 0.000 2.949 368 T HA 0.429 4.779 4.350 0.000 0.000 0.287 368 T C 0.369 175.287 174.700 0.363 0.000 1.034 368 T CA -0.599 61.558 62.100 0.096 0.000 1.018 368 T CB 1.744 70.591 68.868 -0.036 0.000 1.135 368 T HN 0.916 nan 8.240 nan 0.000 0.532 369 L N 0.698 122.124 121.223 0.339 0.000 2.141 369 L HA 0.161 4.501 4.340 0.000 0.000 0.209 369 L C 2.604 179.753 176.870 0.466 0.000 1.094 369 L CA 1.791 56.975 54.840 0.572 0.000 0.763 369 L CB -0.772 41.633 42.059 0.576 0.000 0.908 369 L HN 0.893 nan 8.230 nan 0.000 0.437 370 K N -1.168 119.260 120.400 0.047 0.000 2.097 370 K HA -0.187 4.133 4.320 0.000 0.000 0.205 370 K C 2.023 178.648 176.600 0.043 0.000 1.050 370 K CA 1.471 57.626 56.287 -0.221 0.000 0.938 370 K CB -0.015 32.062 32.500 -0.704 0.000 0.718 370 K HN 0.495 nan 8.250 nan 0.000 0.442 371 Q N -0.390 119.453 119.800 0.072 0.000 2.046 371 Q HA -0.084 4.256 4.340 0.000 0.000 0.200 371 Q C 2.113 178.124 176.000 0.018 0.000 0.975 371 Q CA 1.439 57.277 55.803 0.059 0.000 0.836 371 Q CB -0.066 28.728 28.738 0.094 0.000 0.896 371 Q HN 0.385 nan 8.270 nan 0.000 0.428 372 A N 0.090 122.942 122.820 0.055 0.000 1.968 372 A HA -0.034 4.286 4.320 0.000 0.000 0.217 372 A C 0.519 177.770 177.584 -0.556 0.000 1.169 372 A CA 0.825 52.689 52.037 -0.289 0.000 0.638 372 A CB 0.094 18.943 19.000 -0.253 0.000 0.812 372 A HN 0.293 nan 8.150 nan 0.000 0.446 373 F N -1.272 118.797 119.950 0.198 0.000 2.584 373 F HA 0.349 4.876 4.527 0.000 0.000 0.328 373 F C -2.058 173.906 175.800 0.275 0.000 1.407 373 F CA -1.928 56.201 58.000 0.215 0.000 1.145 373 F CB 1.222 40.384 39.000 0.270 0.000 1.440 373 F HN 0.023 nan 8.300 nan 0.000 0.580 374 P HA -0.282 nan 4.420 nan 0.000 0.216 374 P C 1.771 179.243 177.300 0.286 0.000 1.154 374 P CA 1.974 65.233 63.100 0.266 0.000 0.865 374 P CB 0.295 32.075 31.700 0.132 0.000 0.789 375 A N -0.118 122.840 122.820 0.230 0.000 2.032 375 A HA -0.246 4.074 4.320 0.000 0.000 0.221 375 A C 2.235 179.910 177.584 0.152 0.000 1.165 375 A CA 1.929 54.069 52.037 0.171 0.000 0.645 375 A CB -1.199 17.889 19.000 0.147 0.000 0.807 375 A HN 0.145 nan 8.150 nan 0.000 0.453 376 E N -1.581 118.737 120.200 0.196 0.000 2.418 376 E HA 0.032 4.382 4.350 0.000 0.000 0.197 376 E C -0.265 176.132 176.600 -0.338 0.000 1.026 376 E CA 0.519 56.911 56.400 -0.013 0.000 0.862 376 E CB -0.215 29.514 29.700 0.049 0.000 0.799 376 E HN 0.676 nan 8.360 nan 0.000 0.518 377 Y N 0.000 120.385 120.300 0.142 0.000 2.660 377 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 377 Y CA 0.000 58.162 58.100 0.103 0.000 1.940 377 Y CB 0.000 38.520 38.460 0.100 0.000 1.050 377 Y HN 0.000 nan 8.280 nan 0.000 0.758