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 1b8f_1_A DATA FIRST_RESID 1 DATA SEQUENCE TELTLKPGTL TLAQLRAIHA APVRLQLDAS AAPAIDASVA CVEQIIAEDR DATA SEQUENCE TAYGINTGFG LLASTRIASH DLENLQRSLV LSHAAGIGAP LDDDLVRLIM DATA SEQUENCE VLKINSLSRG FSGIRRKVID ALIALVNAEV YPHIPLKGSV GASGDLAPLA DATA SEQUENCE HMSLVLLGEG KARYKGQWLS ATEALAVAGL EPLTLAAKEG LALLNGTQAS DATA SEQUENCE TAYALRGLFY AEDLYAAAIA CGGLSVEAVL GSRSPFDARI HEARGQRGQI DATA SEQUENCE DTAACFRDLL GDSSEVSLSH KNADKVQDPY SLRCQPQVMG ACLTQLRQAA DATA SEQUENCE EVLGIEANAV SDNPLVFAAE GDVISGGNFH AEPVAMAADN LALAIAEIGS DATA SEQUENCE LSERRISLMM DKHMSQLPPF LVENGGVNSG FMIAQVTAAA LASENKALSH DATA SEQUENCE PHSVDSLPTS ANQEDHVSMA PAAGKRLWEM AENTRGVLAI EWLGACQGLD DATA SEQUENCE LRKGLKTSAK LEKARQALRS EVAHYDRDRF FAPDIEKAVE LLAKGSLTGL DATA SEQUENCE LPAGVLPSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.706 174.700 0.009 0.000 1.109 1 T CA 0.000 62.104 62.100 0.006 0.000 1.349 1 T CB 0.000 68.873 68.868 0.007 0.000 0.612 2 E N 2.957 123.163 120.200 0.010 0.000 2.759 2 E HA 0.207 4.511 4.350 -0.077 0.000 0.318 2 E C -1.280 175.327 176.600 0.013 0.000 1.093 2 E CA -0.698 55.709 56.400 0.011 0.000 0.762 2 E CB 1.061 30.766 29.700 0.009 0.000 1.543 2 E HN 0.525 nan 8.360 nan 0.000 0.381 3 L N 2.788 124.021 121.223 0.016 0.000 2.418 3 L HA 0.294 4.587 4.340 -0.077 0.000 0.274 3 L C -0.198 176.683 176.870 0.018 0.000 1.135 3 L CA 0.659 55.510 54.840 0.018 0.000 0.870 3 L CB 0.784 42.857 42.059 0.024 0.000 1.154 3 L HN 0.180 nan 8.230 nan 0.000 0.462 4 T N 7.021 121.585 114.554 0.016 0.000 3.145 4 T HA 0.262 4.566 4.350 -0.077 0.000 0.348 4 T C -0.178 174.533 174.700 0.019 0.000 1.299 4 T CA -0.361 61.748 62.100 0.016 0.000 1.037 4 T CB -0.208 68.668 68.868 0.012 0.000 1.122 4 T HN 0.459 nan 8.240 nan 0.000 0.600 5 L N 4.293 125.529 121.223 0.022 0.000 2.562 5 L HA 0.193 4.487 4.340 -0.077 0.000 0.271 5 L C 0.293 177.178 176.870 0.025 0.000 1.167 5 L CA 0.513 55.369 54.840 0.026 0.000 0.917 5 L CB -0.066 42.012 42.059 0.031 0.000 1.187 5 L HN 0.340 nan 8.230 nan 0.000 0.482 6 K N 7.430 127.846 120.400 0.027 0.000 2.257 6 K HA 0.336 4.609 4.320 -0.077 0.000 0.270 6 K C -2.294 174.328 176.600 0.037 0.000 1.098 6 K CA -1.703 54.601 56.287 0.028 0.000 0.943 6 K CB 0.516 33.032 32.500 0.026 0.000 1.316 6 K HN 0.421 nan 8.250 nan 0.000 0.447 7 P HA -0.114 nan 4.420 nan 0.000 0.263 7 P C 0.680 178.018 177.300 0.063 0.000 1.175 7 P CA 0.912 64.044 63.100 0.052 0.000 0.761 7 P CB 0.543 32.275 31.700 0.053 0.000 0.794 8 G N 2.258 111.097 108.800 0.065 0.000 2.153 8 G HA2 -0.263 3.651 3.960 -0.077 0.000 0.252 8 G HA3 -0.263 3.651 3.960 -0.077 0.000 0.252 8 G C 0.562 175.494 174.900 0.053 0.000 0.994 8 G CA 0.619 45.758 45.100 0.065 0.000 0.698 8 G HN 0.716 nan 8.290 nan 0.000 0.521 9 T N -1.907 112.674 114.554 0.046 0.000 3.200 9 T HA 0.579 4.882 4.350 -0.077 0.000 0.284 9 T C 0.836 175.558 174.700 0.037 0.000 1.009 9 T CA -0.320 61.804 62.100 0.039 0.000 0.907 9 T CB 0.202 69.090 68.868 0.035 0.000 1.120 9 T HN 0.390 nan 8.240 nan 0.000 0.534 10 L N 3.901 125.149 121.223 0.042 0.000 2.462 10 L HA 0.292 4.585 4.340 -0.077 0.000 0.272 10 L C 1.243 178.140 176.870 0.045 0.000 1.166 10 L CA -0.276 54.591 54.840 0.045 0.000 0.880 10 L CB 0.516 42.607 42.059 0.054 0.000 1.142 10 L HN 0.435 nan 8.230 nan 0.000 0.473 11 T N 0.139 114.717 114.554 0.041 0.000 2.874 11 T HA 0.313 4.617 4.350 -0.077 0.000 0.281 11 T C 1.240 175.976 174.700 0.059 0.000 0.994 11 T CA -0.840 61.285 62.100 0.041 0.000 1.015 11 T CB 1.113 69.998 68.868 0.028 0.000 1.028 11 T HN 0.450 nan 8.240 nan 0.000 0.523 12 L N 0.934 122.198 121.223 0.068 0.000 2.201 12 L HA 0.043 4.336 4.340 -0.077 0.000 0.212 12 L C 3.107 180.029 176.870 0.087 0.000 1.105 12 L CA 1.325 56.236 54.840 0.120 0.000 0.775 12 L CB -0.924 41.211 42.059 0.126 0.000 0.913 12 L HN 0.949 nan 8.230 nan 0.000 0.440 13 A N -0.373 122.466 122.820 0.031 0.000 1.877 13 A HA -0.259 4.015 4.320 -0.077 0.000 0.216 13 A C 2.242 179.806 177.584 -0.034 0.000 1.186 13 A CA 1.561 53.586 52.037 -0.021 0.000 0.620 13 A CB -0.468 18.523 19.000 -0.016 0.000 0.822 13 A HN 0.426 nan 8.150 nan 0.000 0.443 14 Q N -0.408 119.394 119.800 0.002 0.000 2.096 14 Q HA -0.165 4.129 4.340 -0.077 0.000 0.204 14 Q C 2.076 178.086 176.000 0.015 0.000 0.982 14 Q CA 1.719 57.527 55.803 0.008 0.000 0.850 14 Q CB -0.408 28.345 28.738 0.025 0.000 0.901 14 Q HN 0.720 nan 8.270 nan 0.000 0.422 15 L N -0.009 121.249 121.223 0.059 0.000 2.017 15 L HA -0.223 4.071 4.340 -0.077 0.000 0.208 15 L C 2.639 179.510 176.870 0.001 0.000 1.073 15 L CA 1.466 56.384 54.840 0.130 0.000 0.745 15 L CB -0.534 41.693 42.059 0.281 0.000 0.894 15 L HN 0.201 nan 8.230 nan 0.000 0.432 16 R N 0.677 120.968 120.500 -0.349 0.000 2.083 16 R HA -0.196 4.098 4.340 -0.077 0.000 0.237 16 R C 2.372 178.473 176.300 -0.332 0.000 1.137 16 R CA 1.567 57.142 56.100 -0.874 0.000 0.951 16 R CB -0.339 29.445 30.300 -0.860 0.000 0.851 16 R HN 0.317 nan 8.270 nan 0.000 0.434 17 A N 1.158 123.873 122.820 -0.175 0.000 1.917 17 A HA -0.176 4.098 4.320 -0.077 0.000 0.219 17 A C 2.195 179.751 177.584 -0.047 0.000 1.182 17 A CA 1.766 53.749 52.037 -0.090 0.000 0.633 17 A CB -0.569 18.401 19.000 -0.051 0.000 0.819 17 A HN 0.427 nan 8.150 nan 0.000 0.448 18 I N -1.527 119.038 120.570 -0.008 0.000 2.315 18 I HA -0.238 3.886 4.170 -0.077 0.000 0.248 18 I C 2.545 178.693 176.117 0.051 0.000 1.117 18 I CA 1.515 62.837 61.300 0.036 0.000 1.404 18 I CB -0.481 37.562 38.000 0.072 0.000 1.071 18 I HN 0.556 nan 8.210 nan 0.000 0.419 19 H N 1.290 120.334 119.070 -0.044 0.000 2.389 19 H HA -0.105 4.405 4.556 -0.077 0.000 0.299 19 H C 2.162 177.445 175.328 -0.076 0.000 1.081 19 H CA 1.543 57.571 56.048 -0.034 0.000 1.345 19 H CB 0.385 30.172 29.762 0.041 0.000 1.393 19 H HN 0.342 nan 8.280 nan 0.000 0.520 20 A N 0.895 123.635 122.820 -0.133 0.000 1.898 20 A HA 0.376 4.650 4.320 -0.077 0.000 0.214 20 A C 1.227 178.728 177.584 -0.137 0.000 1.183 20 A CA 0.974 52.914 52.037 -0.162 0.000 0.622 20 A CB -0.202 18.738 19.000 -0.101 0.000 0.824 20 A HN 0.518 nan 8.150 nan 0.000 0.444 21 A N -1.797 120.969 122.820 -0.090 0.000 2.593 21 A HA 0.678 4.951 4.320 -0.077 0.000 0.290 21 A C -3.053 174.519 177.584 -0.020 0.000 1.126 21 A CA -1.685 50.317 52.037 -0.059 0.000 0.695 21 A CB 0.138 19.113 19.000 -0.042 0.000 1.290 21 A HN 0.024 nan 8.150 nan 0.000 0.414 22 P HA 0.240 nan 4.420 nan 0.000 0.269 22 P C -0.662 176.671 177.300 0.055 0.000 1.205 22 P CA 0.207 63.349 63.100 0.070 0.000 0.780 22 P CB 0.508 32.249 31.700 0.069 0.000 0.858 23 V N 2.146 122.106 119.914 0.077 0.000 3.007 23 V HA 0.634 4.708 4.120 -0.077 0.000 0.311 23 V C -1.016 175.108 176.094 0.049 0.000 1.120 23 V CA -0.900 61.432 62.300 0.054 0.000 0.980 23 V CB 2.372 34.228 31.823 0.056 0.000 1.033 23 V HN 0.299 nan 8.190 nan 0.000 0.429 24 R N 4.148 124.669 120.500 0.035 0.000 2.371 24 R HA 0.708 5.002 4.340 -0.077 0.000 0.312 24 R C -1.024 175.291 176.300 0.026 0.000 0.980 24 R CA -0.317 55.799 56.100 0.028 0.000 0.867 24 R CB 1.263 31.575 30.300 0.020 0.000 1.163 24 R HN 0.815 nan 8.270 nan 0.000 0.492 25 L N -0.048 121.191 121.223 0.028 0.000 2.341 25 L HA 0.798 5.092 4.340 -0.077 0.000 0.267 25 L C -1.001 175.882 176.870 0.021 0.000 1.009 25 L CA -0.956 53.900 54.840 0.027 0.000 0.819 25 L CB 2.413 44.492 42.059 0.035 0.000 1.323 25 L HN 0.374 nan 8.230 nan 0.000 0.425 26 Q N 1.396 121.207 119.800 0.019 0.000 2.379 26 Q HA 0.576 4.870 4.340 -0.077 0.000 0.278 26 Q C -1.525 174.485 176.000 0.016 0.000 1.068 26 Q CA -0.514 55.298 55.803 0.015 0.000 0.816 26 Q CB 2.409 31.154 28.738 0.011 0.000 1.387 26 Q HN 0.656 nan 8.270 nan 0.000 0.413 27 L N 2.224 123.455 121.223 0.014 0.000 2.416 27 L HA 0.199 4.493 4.340 -0.077 0.000 0.272 27 L C -0.073 176.803 176.870 0.010 0.000 1.161 27 L CA 0.408 55.255 54.840 0.013 0.000 0.845 27 L CB 0.559 42.625 42.059 0.010 0.000 1.119 27 L HN 0.683 nan 8.230 nan 0.000 0.464 28 D N 1.901 122.308 120.400 0.012 0.000 2.382 28 D HA 0.264 4.858 4.640 -0.077 0.000 0.240 28 D C 1.029 177.332 176.300 0.006 0.000 1.146 28 D CA 0.540 54.546 54.000 0.010 0.000 0.897 28 D CB 1.249 42.056 40.800 0.012 0.000 1.197 28 D HN 0.664 nan 8.370 nan 0.000 0.432 29 A N 1.905 124.727 122.820 0.004 0.000 1.908 29 A HA -0.185 4.089 4.320 -0.077 0.000 0.218 29 A C 2.103 179.686 177.584 -0.001 0.000 1.181 29 A CA 2.089 54.126 52.037 0.000 0.000 0.627 29 A CB -1.037 17.963 19.000 0.001 0.000 0.818 29 A HN 0.644 nan 8.150 nan 0.000 0.445 30 S N -0.145 115.555 115.700 0.001 0.000 2.469 30 S HA 0.114 4.538 4.470 -0.077 0.000 0.238 30 S C 1.708 176.305 174.600 -0.005 0.000 0.998 30 S CA 1.052 59.252 58.200 -0.001 0.000 0.957 30 S CB -0.458 62.745 63.200 0.005 0.000 0.764 30 S HN 0.907 nan 8.310 nan 0.000 0.514 31 A N 0.748 123.566 122.820 -0.003 0.000 2.238 31 A HA 0.681 4.955 4.320 -0.077 0.000 0.208 31 A C 2.201 179.774 177.584 -0.020 0.000 1.177 31 A CA 0.703 52.735 52.037 -0.008 0.000 0.804 31 A CB -0.794 18.208 19.000 0.003 0.000 0.823 31 A HN 0.693 nan 8.150 nan 0.000 0.482 32 A N 1.089 123.898 122.820 -0.018 0.000 1.897 32 A HA 0.096 4.369 4.320 -0.077 0.000 0.215 32 A C 0.169 177.733 177.584 -0.033 0.000 1.181 32 A CA 1.375 53.399 52.037 -0.022 0.000 0.620 32 A CB -1.356 17.634 19.000 -0.016 0.000 0.821 32 A HN 0.423 nan 8.150 nan 0.000 0.443 33 P HA -0.213 nan 4.420 nan 0.000 0.213 33 P C 1.804 179.066 177.300 -0.063 0.000 1.176 33 P CA 2.350 65.425 63.100 -0.041 0.000 0.919 33 P CB -0.221 31.459 31.700 -0.034 0.000 0.791 34 A N -1.128 121.641 122.820 -0.086 0.000 1.933 34 A HA -0.182 4.092 4.320 -0.077 0.000 0.218 34 A C 2.293 179.793 177.584 -0.140 0.000 1.175 34 A CA 1.589 53.539 52.037 -0.145 0.000 0.628 34 A CB -1.704 17.169 19.000 -0.211 0.000 0.814 34 A HN 0.122 nan 8.150 nan 0.000 0.444 35 I N -0.012 120.501 120.570 -0.095 0.000 2.179 35 I HA -0.228 3.896 4.170 -0.077 0.000 0.242 35 I C 1.642 177.720 176.117 -0.065 0.000 1.088 35 I CA 1.554 62.809 61.300 -0.074 0.000 1.357 35 I CB -0.337 37.637 38.000 -0.043 0.000 1.051 35 I HN 0.251 nan 8.210 nan 0.000 0.409 36 D N 0.867 121.234 120.400 -0.054 0.000 2.234 36 D HA -0.054 4.540 4.640 -0.077 0.000 0.205 36 D C 2.209 178.479 176.300 -0.049 0.000 0.962 36 D CA 1.213 55.187 54.000 -0.044 0.000 0.855 36 D CB -0.156 40.624 40.800 -0.034 0.000 0.951 36 D HN 0.324 nan 8.370 nan 0.000 0.500 37 A N 0.832 123.615 122.820 -0.062 0.000 1.930 37 A HA -0.150 4.123 4.320 -0.077 0.000 0.217 37 A C 2.289 179.833 177.584 -0.066 0.000 1.175 37 A CA 1.891 53.893 52.037 -0.060 0.000 0.627 37 A CB -0.565 18.395 19.000 -0.066 0.000 0.815 37 A HN 0.251 nan 8.150 nan 0.000 0.443 38 S N -0.315 115.331 115.700 -0.091 0.000 2.368 38 S HA -0.131 4.293 4.470 -0.077 0.000 0.225 38 S C 1.874 176.437 174.600 -0.061 0.000 1.030 38 S CA 1.748 59.892 58.200 -0.093 0.000 0.999 38 S CB -0.606 62.518 63.200 -0.126 0.000 0.844 38 S HN 0.281 nan 8.310 nan 0.000 0.459 39 V N 2.300 122.183 119.914 -0.052 0.000 2.343 39 V HA -0.070 4.003 4.120 -0.077 0.000 0.247 39 V C 3.079 179.152 176.094 -0.034 0.000 1.051 39 V CA 1.712 63.989 62.300 -0.039 0.000 1.036 39 V CB -1.471 30.331 31.823 -0.035 0.000 0.654 39 V HN 0.667 nan 8.190 nan 0.000 0.451 40 A N -1.104 121.697 122.820 -0.033 0.000 1.969 40 A HA -0.269 4.005 4.320 -0.077 0.000 0.218 40 A C 2.394 179.965 177.584 -0.022 0.000 1.169 40 A CA 1.873 53.895 52.037 -0.026 0.000 0.635 40 A CB -1.036 17.949 19.000 -0.024 0.000 0.810 40 A HN 0.637 nan 8.150 nan 0.000 0.445 41 C N -1.183 118.103 119.300 -0.024 0.000 2.440 41 C HA 0.000 4.414 4.460 -0.077 0.000 0.278 41 C C 2.615 177.596 174.990 -0.014 0.000 1.295 41 C CA 1.236 60.246 59.018 -0.014 0.000 1.738 41 C CB -1.309 26.424 27.740 -0.012 0.000 1.987 41 C HN 0.388 nan 8.230 nan 0.000 0.492 42 V N 0.720 120.620 119.914 -0.023 0.000 2.307 42 V HA -0.178 3.896 4.120 -0.077 0.000 0.245 42 V C 2.497 178.576 176.094 -0.025 0.000 1.045 42 V CA 2.423 64.708 62.300 -0.025 0.000 1.024 42 V CB -0.768 31.035 31.823 -0.032 0.000 0.651 42 V HN 0.580 nan 8.190 nan 0.000 0.449 43 E N -0.352 119.833 120.200 -0.026 0.000 2.110 43 E HA -0.300 4.003 4.350 -0.077 0.000 0.193 43 E C 2.274 178.862 176.600 -0.020 0.000 0.988 43 E CA 1.471 57.856 56.400 -0.025 0.000 0.804 43 E CB -0.107 29.578 29.700 -0.025 0.000 0.745 43 E HN 0.675 nan 8.360 nan 0.000 0.458 44 Q N 0.774 120.566 119.800 -0.015 0.000 2.119 44 Q HA -0.178 4.116 4.340 -0.077 0.000 0.201 44 Q C 2.111 178.107 176.000 -0.007 0.000 0.972 44 Q CA 1.154 56.951 55.803 -0.009 0.000 0.847 44 Q CB -0.058 28.677 28.738 -0.004 0.000 0.903 44 Q HN 0.295 nan 8.270 nan 0.000 0.433 45 I N 0.532 121.098 120.570 -0.007 0.000 2.118 45 I HA -0.342 3.782 4.170 -0.077 0.000 0.241 45 I C 2.236 178.346 176.117 -0.011 0.000 1.070 45 I CA 1.407 62.704 61.300 -0.005 0.000 1.327 45 I CB -0.241 37.756 38.000 -0.005 0.000 1.034 45 I HN 0.316 nan 8.210 nan 0.000 0.405 46 I N 0.364 120.922 120.570 -0.020 0.000 2.252 46 I HA -0.240 3.884 4.170 -0.077 0.000 0.245 46 I C 2.788 178.893 176.117 -0.021 0.000 1.102 46 I CA 1.118 62.403 61.300 -0.026 0.000 1.385 46 I CB -0.505 37.473 38.000 -0.036 0.000 1.064 46 I HN 0.178 nan 8.210 nan 0.000 0.414 47 A N 0.702 123.510 122.820 -0.019 0.000 1.892 47 A HA -0.252 4.022 4.320 -0.077 0.000 0.218 47 A C 2.073 179.651 177.584 -0.010 0.000 1.188 47 A CA 1.902 53.929 52.037 -0.016 0.000 0.631 47 A CB -0.641 18.351 19.000 -0.014 0.000 0.822 47 A HN 0.509 nan 8.150 nan 0.000 0.447 48 E N -0.533 119.663 120.200 -0.006 0.000 2.502 48 E HA 0.023 4.327 4.350 -0.077 0.000 0.194 48 E C -0.590 176.009 176.600 -0.001 0.000 1.062 48 E CA 0.208 56.607 56.400 -0.002 0.000 0.867 48 E CB -0.005 29.695 29.700 0.001 0.000 0.888 48 E HN 0.444 nan 8.360 nan 0.000 0.510 49 D N 1.354 121.752 120.400 -0.003 0.000 2.723 49 D HA -0.175 4.418 4.640 -0.077 0.000 0.236 49 D C -0.378 175.923 176.300 0.001 0.000 1.138 49 D CA 0.929 54.928 54.000 -0.002 0.000 0.676 49 D CB -0.837 39.964 40.800 0.002 0.000 1.069 49 D HN 0.272 nan 8.370 nan 0.000 0.430 50 R N -0.291 120.210 120.500 0.001 0.000 2.643 50 R HA 0.586 4.880 4.340 -0.077 0.000 0.272 50 R C 0.799 177.101 176.300 0.004 0.000 0.995 50 R CA -0.566 55.537 56.100 0.006 0.000 1.032 50 R CB 1.353 31.659 30.300 0.010 0.000 1.126 50 R HN 0.154 nan 8.270 nan 0.000 0.505 51 T N -1.672 112.889 114.554 0.010 0.000 2.867 51 T HA 0.719 5.023 4.350 -0.077 0.000 0.282 51 T C -0.542 174.173 174.700 0.024 0.000 1.000 51 T CA -0.773 61.333 62.100 0.009 0.000 1.042 51 T CB 1.733 70.609 68.868 0.014 0.000 0.973 51 T HN 0.635 nan 8.240 nan 0.000 0.465 52 A N 2.999 125.829 122.820 0.017 0.000 2.497 52 A HA 0.507 4.781 4.320 -0.077 0.000 0.280 52 A C -0.820 176.789 177.584 0.042 0.000 1.065 52 A CA -0.929 51.136 52.037 0.045 0.000 0.781 52 A CB 0.442 19.461 19.000 0.031 0.000 1.289 52 A HN 1.033 nan 8.150 nan 0.000 0.415 53 Y N 2.406 122.705 120.300 -0.003 0.000 2.811 53 Y HA 0.272 4.776 4.550 -0.078 0.000 0.334 53 Y C 1.411 177.311 175.900 0.000 0.000 1.247 53 Y CA 2.020 60.114 58.100 -0.010 0.000 1.526 53 Y CB 0.534 39.014 38.460 0.035 0.000 1.284 53 Y HN 2.025 nan 8.280 nan 0.000 0.586 54 G N 4.779 113.042 108.800 -0.895 0.000 2.184 54 G HA2 -0.295 3.619 3.960 -0.077 0.000 0.264 54 G HA3 -0.295 3.619 3.960 -0.077 0.000 0.264 54 G C 0.489 175.233 174.900 -0.260 0.000 0.975 54 G CA 0.591 45.338 45.100 -0.587 0.000 0.642 54 G HN 0.587 nan 8.290 nan 0.000 0.536 55 I N 0.497 120.948 120.570 -0.199 0.000 3.523 55 I HA 0.170 4.294 4.170 -0.077 0.000 0.244 55 I C 1.587 177.624 176.117 -0.133 0.000 1.110 55 I CA 1.651 62.879 61.300 -0.120 0.000 1.517 55 I CB -0.959 37.002 38.000 -0.064 0.000 1.505 55 I HN 0.354 nan 8.210 nan 0.000 0.460 56 N N 1.294 119.918 118.700 -0.127 0.000 2.291 56 N HA 0.022 4.716 4.740 -0.077 0.000 0.244 56 N C 0.260 175.684 175.510 -0.143 0.000 1.216 56 N CA -0.079 52.900 53.050 -0.118 0.000 0.879 56 N CB -0.152 38.291 38.487 -0.074 0.000 1.167 56 N HN 0.351 nan 8.380 nan 0.000 0.515 57 T N -3.707 110.716 114.554 -0.219 0.000 2.880 57 T HA 0.783 5.087 4.350 -0.077 0.000 0.279 57 T C 0.738 175.216 174.700 -0.371 0.000 0.990 57 T CA -0.317 61.644 62.100 -0.232 0.000 0.938 57 T CB 1.444 70.189 68.868 -0.204 0.000 1.206 57 T HN 0.109 nan 8.240 nan 0.000 0.573 58 G N -0.875 107.731 108.800 -0.323 0.000 2.736 58 G HA2 0.654 4.568 3.960 -0.077 0.000 0.229 58 G HA3 0.654 4.568 3.960 -0.077 0.000 0.229 58 G C -1.308 173.260 174.900 -0.552 0.000 1.380 58 G CA -0.953 43.928 45.100 -0.364 0.000 1.040 58 G HN 0.559 nan 8.290 nan 0.000 0.568 59 F N -2.162 117.807 119.950 0.032 0.000 2.782 59 F HA 0.641 5.123 4.527 -0.076 0.000 0.366 59 F C 1.362 177.204 175.800 0.070 0.000 1.171 59 F CA 0.282 58.325 58.000 0.072 0.000 1.064 59 F CB 0.977 40.012 39.000 0.058 0.000 1.449 59 F HN 0.982 nan 8.300 nan 0.000 0.520 60 G N 0.776 109.771 108.800 0.324 0.000 2.774 60 G HA2 -0.344 3.570 3.960 -0.077 0.000 0.342 60 G HA3 -0.344 3.570 3.960 -0.077 0.000 0.342 60 G C 1.078 176.055 174.900 0.127 0.000 1.185 60 G CA 0.911 46.117 45.100 0.176 0.000 0.956 60 G HN 0.603 nan 8.290 nan 0.000 0.561 61 L N -0.363 120.918 121.223 0.096 0.000 2.131 61 L HA 0.145 4.439 4.340 -0.077 0.000 0.206 61 L C 2.227 179.132 176.870 0.059 0.000 1.087 61 L CA 0.729 55.608 54.840 0.066 0.000 0.767 61 L CB -0.213 41.876 42.059 0.050 0.000 0.917 61 L HN 0.342 nan 8.230 nan 0.000 0.441 62 L N -0.272 120.986 121.223 0.058 0.000 2.688 62 L HA 0.152 4.446 4.340 -0.077 0.000 0.234 62 L C 2.121 179.004 176.870 0.021 0.000 1.192 62 L CA 0.383 55.240 54.840 0.028 0.000 0.984 62 L CB -0.996 41.066 42.059 0.005 0.000 1.232 62 L HN 0.017 nan 8.230 nan 0.000 0.465 63 A N -0.612 122.254 122.820 0.075 0.000 2.024 63 A HA -0.151 4.123 4.320 -0.077 0.000 0.220 63 A C 1.992 179.645 177.584 0.115 0.000 1.164 63 A CA 1.976 54.091 52.037 0.130 0.000 0.643 63 A CB -0.280 18.848 19.000 0.213 0.000 0.806 63 A HN 0.472 nan 8.150 nan 0.000 0.451 64 S N -0.955 114.786 115.700 0.068 0.000 2.602 64 S HA 0.222 4.646 4.470 -0.077 0.000 0.240 64 S C 0.070 174.683 174.600 0.023 0.000 0.992 64 S CA -0.169 58.064 58.200 0.055 0.000 0.971 64 S CB 0.211 63.439 63.200 0.048 0.000 0.855 64 S HN 0.324 nan 8.310 nan 0.000 0.481 65 T N 2.859 117.415 114.554 0.004 0.000 2.771 65 T HA 0.334 4.638 4.350 -0.077 0.000 0.281 65 T C 0.020 174.702 174.700 -0.030 0.000 0.982 65 T CA -0.659 61.437 62.100 -0.008 0.000 0.978 65 T CB 1.407 70.273 68.868 -0.004 0.000 0.930 65 T HN 0.246 nan 8.240 nan 0.000 0.447 66 R N 4.476 124.963 120.500 -0.022 0.000 3.247 66 R HA 0.168 4.462 4.340 -0.077 0.000 0.212 66 R C 0.079 176.363 176.300 -0.027 0.000 1.604 66 R CA -0.271 55.811 56.100 -0.030 0.000 1.279 66 R CB -0.818 29.472 30.300 -0.016 0.000 1.277 66 R HN 0.668 nan 8.270 nan 0.000 0.669 67 I N 2.788 123.330 120.570 -0.045 0.000 2.996 67 I HA -0.232 3.892 4.170 -0.077 0.000 0.311 67 I C 0.879 176.990 176.117 -0.010 0.000 1.219 67 I CA 0.460 61.740 61.300 -0.033 0.000 1.452 67 I CB 0.352 38.315 38.000 -0.061 0.000 1.319 67 I HN 0.637 nan 8.210 nan 0.000 0.564 68 A N 5.248 128.084 122.820 0.026 0.000 2.531 68 A HA 0.050 4.323 4.320 -0.077 0.000 0.236 68 A C 1.447 179.063 177.584 0.054 0.000 1.062 68 A CA 0.571 52.658 52.037 0.084 0.000 0.760 68 A CB 0.495 19.590 19.000 0.159 0.000 0.995 68 A HN 0.936 nan 8.150 nan 0.000 0.501 69 S N 1.885 117.584 115.700 -0.001 0.000 2.365 69 S HA -0.291 4.133 4.470 -0.077 0.000 0.225 69 S C 1.654 176.185 174.600 -0.114 0.000 1.039 69 S CA 2.370 60.503 58.200 -0.111 0.000 1.033 69 S CB -0.927 62.140 63.200 -0.222 0.000 0.887 69 S HN 0.879 nan 8.310 nan 0.000 0.447 70 H N 1.916 120.974 119.070 -0.020 0.000 2.444 70 H HA -0.105 4.405 4.556 -0.077 0.000 0.294 70 H C 1.294 176.611 175.328 -0.018 0.000 1.125 70 H CA 1.799 57.837 56.048 -0.017 0.000 1.230 70 H CB -0.321 29.433 29.762 -0.014 0.000 1.361 70 H HN 0.835 nan 8.280 nan 0.000 0.508 71 D N -1.085 119.366 120.400 0.086 0.000 2.620 71 D HA 0.020 4.614 4.640 -0.077 0.000 0.260 71 D C 1.151 177.453 176.300 0.004 0.000 1.367 71 D CA -0.250 53.772 54.000 0.038 0.000 0.805 71 D CB -0.484 40.340 40.800 0.039 0.000 1.096 71 D HN 0.272 nan 8.370 nan 0.000 0.488 72 L N 0.386 121.600 121.223 -0.015 0.000 2.509 72 L HA 0.257 4.551 4.340 -0.077 0.000 0.222 72 L C 1.735 178.581 176.870 -0.040 0.000 1.123 72 L CA 1.297 56.113 54.840 -0.040 0.000 0.856 72 L CB -0.256 41.770 42.059 -0.056 0.000 0.985 72 L HN 0.227 nan 8.230 nan 0.000 0.456 73 E N -0.936 119.245 120.200 -0.032 0.000 2.190 73 E HA -0.151 4.152 4.350 -0.077 0.000 0.191 73 E C 1.478 178.066 176.600 -0.020 0.000 0.978 73 E CA 0.858 57.241 56.400 -0.029 0.000 0.839 73 E CB -0.078 29.603 29.700 -0.031 0.000 0.787 73 E HN 0.656 nan 8.360 nan 0.000 0.473 74 N N 0.143 118.836 118.700 -0.012 0.000 2.409 74 N HA -0.068 4.626 4.740 -0.077 0.000 0.179 74 N C 1.626 177.131 175.510 -0.008 0.000 1.032 74 N CA 0.224 53.270 53.050 -0.007 0.000 0.898 74 N CB 0.102 38.590 38.487 0.002 0.000 0.971 74 N HN 0.120 nan 8.380 nan 0.000 0.441 75 L N 1.112 122.330 121.223 -0.009 0.000 2.093 75 L HA -0.102 4.192 4.340 -0.077 0.000 0.208 75 L C 1.844 178.707 176.870 -0.011 0.000 1.085 75 L CA 1.646 56.486 54.840 -0.000 0.000 0.755 75 L CB -0.589 41.466 42.059 -0.006 0.000 0.904 75 L HN 0.104 nan 8.230 nan 0.000 0.435 76 Q N -0.011 119.775 119.800 -0.024 0.000 2.030 76 Q HA -0.249 4.044 4.340 -0.077 0.000 0.204 76 Q C 2.432 178.405 176.000 -0.045 0.000 0.986 76 Q CA 2.052 57.834 55.803 -0.035 0.000 0.843 76 Q CB -0.686 28.032 28.738 -0.033 0.000 0.904 76 Q HN 0.564 nan 8.270 nan 0.000 0.420 77 R N 0.313 120.792 120.500 -0.034 0.000 2.096 77 R HA -0.072 4.222 4.340 -0.077 0.000 0.235 77 R C 2.259 178.534 176.300 -0.041 0.000 1.127 77 R CA 1.474 57.553 56.100 -0.034 0.000 0.968 77 R CB 0.037 30.323 30.300 -0.023 0.000 0.861 77 R HN 0.137 nan 8.270 nan 0.000 0.440 78 S N 0.843 116.523 115.700 -0.033 0.000 2.368 78 S HA -0.085 4.338 4.470 -0.077 0.000 0.224 78 S C 1.843 176.401 174.600 -0.071 0.000 1.029 78 S CA 1.042 59.224 58.200 -0.030 0.000 0.988 78 S CB -0.156 63.042 63.200 -0.004 0.000 0.838 78 S HN 0.252 nan 8.310 nan 0.000 0.462 79 L N 1.070 122.214 121.223 -0.133 0.000 1.970 79 L HA -0.138 4.156 4.340 -0.077 0.000 0.212 79 L C 2.408 179.081 176.870 -0.329 0.000 1.071 79 L CA 1.130 55.755 54.840 -0.359 0.000 0.751 79 L CB -0.923 40.912 42.059 -0.373 0.000 0.889 79 L HN 0.181 nan 8.230 nan 0.000 0.432 80 V N 0.202 120.011 119.914 -0.175 0.000 2.231 80 V HA -0.349 3.725 4.120 -0.077 0.000 0.248 80 V C 2.427 178.482 176.094 -0.066 0.000 1.054 80 V CA 2.134 64.376 62.300 -0.097 0.000 1.015 80 V CB -0.593 31.193 31.823 -0.062 0.000 0.638 80 V HN 0.344 nan 8.190 nan 0.000 0.444 81 L N 0.911 122.100 121.223 -0.057 0.000 2.012 81 L HA -0.201 4.092 4.340 -0.077 0.000 0.210 81 L C 2.685 179.542 176.870 -0.021 0.000 1.073 81 L CA 2.142 56.954 54.840 -0.048 0.000 0.748 81 L CB -0.818 41.222 42.059 -0.033 0.000 0.891 81 L HN 0.590 nan 8.230 nan 0.000 0.431 82 S N -1.996 113.723 115.700 0.032 0.000 2.436 82 S HA -0.143 4.280 4.470 -0.077 0.000 0.228 82 S C 1.779 176.479 174.600 0.168 0.000 1.014 82 S CA 0.583 58.838 58.200 0.092 0.000 0.950 82 S CB -0.446 62.831 63.200 0.128 0.000 0.784 82 S HN 0.425 nan 8.310 nan 0.000 0.504 83 H N 2.153 121.174 119.070 -0.081 0.000 2.470 83 H HA 0.473 4.984 4.556 -0.076 0.000 0.289 83 H C 1.207 176.481 175.328 -0.089 0.000 1.033 83 H CA 0.172 56.172 56.048 -0.079 0.000 1.331 83 H CB -0.521 29.194 29.762 -0.078 0.000 1.414 83 H HN 0.561 nan 8.280 nan 0.000 0.545 84 A N 0.848 123.626 122.820 -0.070 0.000 2.915 84 A HA 0.530 4.804 4.320 -0.077 0.000 0.292 84 A C 0.691 178.184 177.584 -0.151 0.000 1.632 84 A CA 0.430 52.231 52.037 -0.393 0.000 1.337 84 A CB -0.847 17.642 19.000 -0.851 0.000 1.111 84 A HN 0.379 nan 8.150 nan 0.000 0.569 85 A N 2.165 125.043 122.820 0.097 0.000 2.705 85 A HA 0.584 4.858 4.320 -0.077 0.000 0.294 85 A C 0.897 178.596 177.584 0.192 0.000 1.039 85 A CA 0.278 52.391 52.037 0.127 0.000 1.005 85 A CB -0.337 18.675 19.000 0.020 0.000 1.192 85 A HN 1.041 nan 8.150 nan 0.000 0.513 86 G N -0.284 108.765 108.800 0.416 0.000 2.634 86 G HA2 0.524 4.437 3.960 -0.077 0.000 0.255 86 G HA3 0.524 4.437 3.960 -0.077 0.000 0.255 86 G C -0.278 174.645 174.900 0.039 0.000 1.205 86 G CA -0.211 44.962 45.100 0.122 0.000 0.884 86 G HN 0.537 nan 8.290 nan 0.000 0.549 87 I N -1.436 119.130 120.570 -0.007 0.000 3.102 87 I HA 0.621 4.745 4.170 -0.077 0.000 0.310 87 I C 0.435 176.556 176.117 0.006 0.000 1.246 87 I CA 0.422 61.728 61.300 0.010 0.000 0.979 87 I CB 1.995 40.008 38.000 0.021 0.000 1.267 87 I HN 1.328 nan 8.210 nan 0.000 0.451 88 G N 2.629 111.443 108.800 0.023 0.000 2.698 88 G HA2 0.141 4.055 3.960 -0.077 0.000 0.225 88 G HA3 0.141 4.055 3.960 -0.077 0.000 0.225 88 G C -0.424 174.504 174.900 0.047 0.000 1.345 88 G CA -0.253 44.867 45.100 0.033 0.000 0.871 88 G HN 1.355 nan 8.290 nan 0.000 0.540 89 A N 0.825 123.679 122.820 0.057 0.000 2.466 89 A HA 0.654 4.928 4.320 -0.077 0.000 0.238 89 A C -1.628 175.987 177.584 0.052 0.000 1.074 89 A CA 0.085 52.169 52.037 0.078 0.000 0.774 89 A CB -0.247 18.802 19.000 0.082 0.000 1.015 89 A HN 0.708 nan 8.150 nan 0.000 0.498 90 P HA 0.206 nan 4.420 nan 0.000 0.271 90 P C -0.431 176.886 177.300 0.029 0.000 1.216 90 P CA -0.017 63.091 63.100 0.013 0.000 0.771 90 P CB 0.328 32.207 31.700 0.299 0.000 0.864 91 L N 2.812 124.023 121.223 -0.021 0.000 2.483 91 L HA 0.066 4.360 4.340 -0.077 0.000 0.276 91 L C 1.055 177.911 176.870 -0.024 0.000 1.213 91 L CA -0.095 54.736 54.840 -0.015 0.000 0.843 91 L CB -0.074 41.992 42.059 0.012 0.000 1.107 91 L HN 0.490 nan 8.230 nan 0.000 0.487 92 D N 0.069 120.414 120.400 -0.093 0.000 2.358 92 D HA 0.009 4.602 4.640 -0.077 0.000 0.244 92 D C 0.430 176.621 176.300 -0.182 0.000 1.163 92 D CA -0.536 53.389 54.000 -0.126 0.000 0.945 92 D CB 0.672 41.381 40.800 -0.152 0.000 1.152 92 D HN 0.355 nan 8.370 nan 0.000 0.451 93 D N 0.097 120.339 120.400 -0.263 0.000 2.149 93 D HA -0.155 4.438 4.640 -0.077 0.000 0.198 93 D C 1.144 177.082 176.300 -0.603 0.000 0.990 93 D CA 1.031 54.722 54.000 -0.516 0.000 0.839 93 D CB -0.126 40.271 40.800 -0.671 0.000 0.948 93 D HN 0.443 nan 8.370 nan 0.000 0.460 94 D N 0.098 120.248 120.400 -0.416 0.000 2.097 94 D HA -0.121 4.473 4.640 -0.077 0.000 0.195 94 D C 2.159 178.333 176.300 -0.209 0.000 0.989 94 D CA 0.371 54.159 54.000 -0.353 0.000 0.827 94 D CB -0.318 40.239 40.800 -0.404 0.000 0.966 94 D HN 0.134 nan 8.370 nan 0.000 0.456 95 L N 0.524 121.648 121.223 -0.166 0.000 2.141 95 L HA -0.113 4.181 4.340 -0.077 0.000 0.209 95 L C 2.282 179.161 176.870 0.015 0.000 1.094 95 L CA 0.961 55.778 54.840 -0.039 0.000 0.763 95 L CB -0.208 41.782 42.059 -0.115 0.000 0.908 95 L HN -0.121 nan 8.230 nan 0.000 0.437 96 V N -0.479 119.413 119.914 -0.036 0.000 2.295 96 V HA -0.302 3.772 4.120 -0.077 0.000 0.246 96 V C 2.686 178.835 176.094 0.092 0.000 1.049 96 V CA 2.041 64.373 62.300 0.053 0.000 1.024 96 V CB -0.758 31.114 31.823 0.081 0.000 0.648 96 V HN 0.490 nan 8.190 nan 0.000 0.447 97 R N -0.158 120.344 120.500 0.004 0.000 2.083 97 R HA -0.208 4.086 4.340 -0.077 0.000 0.237 97 R C 2.298 178.665 176.300 0.111 0.000 1.137 97 R CA 1.974 58.144 56.100 0.117 0.000 0.951 97 R CB -0.443 29.890 30.300 0.054 0.000 0.851 97 R HN 0.427 nan 8.270 nan 0.000 0.434 98 L N 1.068 122.346 121.223 0.092 0.000 2.042 98 L HA -0.129 4.165 4.340 -0.077 0.000 0.210 98 L C 2.021 178.966 176.870 0.124 0.000 1.076 98 L CA 1.674 56.591 54.840 0.128 0.000 0.749 98 L CB -0.346 41.816 42.059 0.171 0.000 0.893 98 L HN 0.287 nan 8.230 nan 0.000 0.432 99 I N -1.238 119.409 120.570 0.129 0.000 2.179 99 I HA -0.355 3.769 4.170 -0.077 0.000 0.242 99 I C 2.465 178.649 176.117 0.112 0.000 1.088 99 I CA 1.707 63.081 61.300 0.123 0.000 1.357 99 I CB -0.260 37.823 38.000 0.138 0.000 1.051 99 I HN 0.287 nan 8.210 nan 0.000 0.409 100 M N -0.210 119.465 119.600 0.125 0.000 2.080 100 M HA -0.206 4.228 4.480 -0.077 0.000 0.260 100 M C 2.362 178.722 176.300 0.101 0.000 1.068 100 M CA 1.638 57.009 55.300 0.119 0.000 1.109 100 M CB -0.550 32.138 32.600 0.147 0.000 1.342 100 M HN 0.101 nan 8.290 nan 0.000 0.405 101 V N 0.738 120.714 119.914 0.104 0.000 2.427 101 V HA -0.216 3.858 4.120 -0.077 0.000 0.248 101 V C 2.273 178.416 176.094 0.081 0.000 1.051 101 V CA 1.447 63.800 62.300 0.090 0.000 1.048 101 V CB -0.701 31.177 31.823 0.091 0.000 0.666 101 V HN 0.466 nan 8.190 nan 0.000 0.456 102 L N -0.287 120.987 121.223 0.084 0.000 2.056 102 L HA -0.166 4.128 4.340 -0.077 0.000 0.207 102 L C 2.560 179.471 176.870 0.069 0.000 1.078 102 L CA 1.638 56.523 54.840 0.074 0.000 0.749 102 L CB -0.619 41.484 42.059 0.073 0.000 0.901 102 L HN 0.264 nan 8.230 nan 0.000 0.433 103 K N 1.037 121.480 120.400 0.072 0.000 2.026 103 K HA -0.153 4.121 4.320 -0.077 0.000 0.208 103 K C 1.937 178.574 176.600 0.062 0.000 1.048 103 K CA 1.402 57.729 56.287 0.066 0.000 0.929 103 K CB -0.231 32.310 32.500 0.068 0.000 0.713 103 K HN 0.110 nan 8.250 nan 0.000 0.439 104 I N 0.983 121.590 120.570 0.062 0.000 2.118 104 I HA -0.360 3.763 4.170 -0.077 0.000 0.241 104 I C 2.220 178.369 176.117 0.054 0.000 1.070 104 I CA 1.688 63.020 61.300 0.054 0.000 1.327 104 I CB -0.507 37.525 38.000 0.053 0.000 1.034 104 I HN 0.329 nan 8.210 nan 0.000 0.405 105 N N 0.390 119.125 118.700 0.058 0.000 2.104 105 N HA -0.171 4.523 4.740 -0.077 0.000 0.190 105 N C 1.867 177.417 175.510 0.067 0.000 1.024 105 N CA 1.970 55.056 53.050 0.060 0.000 0.853 105 N CB -0.046 38.477 38.487 0.060 0.000 1.008 105 N HN 0.214 nan 8.380 nan 0.000 0.424 106 S N 0.048 115.788 115.700 0.068 0.000 2.355 106 S HA 0.018 4.441 4.470 -0.077 0.000 0.222 106 S C 1.962 176.614 174.600 0.087 0.000 1.031 106 S CA 0.759 59.005 58.200 0.077 0.000 0.993 106 S CB -0.358 62.883 63.200 0.067 0.000 0.859 106 S HN 0.308 nan 8.310 nan 0.000 0.453 107 L N 1.383 122.648 121.223 0.069 0.000 2.127 107 L HA -0.080 4.214 4.340 -0.077 0.000 0.211 107 L C 2.150 179.051 176.870 0.052 0.000 1.089 107 L CA 0.878 55.753 54.840 0.059 0.000 0.757 107 L CB -0.572 41.513 42.059 0.044 0.000 0.899 107 L HN 0.242 nan 8.230 nan 0.000 0.434 108 S N -0.787 114.944 115.700 0.051 0.000 2.561 108 S HA 0.007 4.431 4.470 -0.077 0.000 0.225 108 S C 1.812 176.437 174.600 0.041 0.000 0.977 108 S CA 0.345 58.567 58.200 0.036 0.000 0.926 108 S CB -0.121 63.099 63.200 0.034 0.000 0.769 108 S HN 0.353 nan 8.310 nan 0.000 0.533 109 R N 0.621 121.174 120.500 0.088 0.000 2.280 109 R HA 0.053 4.347 4.340 -0.077 0.000 0.207 109 R C 1.487 177.797 176.300 0.016 0.000 1.043 109 R CA 0.572 56.755 56.100 0.138 0.000 1.006 109 R CB -0.196 30.274 30.300 0.283 0.000 0.885 109 R HN 0.439 nan 8.270 nan 0.000 0.467 110 G N 0.067 108.849 108.800 -0.030 0.000 2.149 110 G HA2 -0.258 3.656 3.960 -0.077 0.000 0.235 110 G HA3 -0.258 3.656 3.960 -0.077 0.000 0.235 110 G C 0.244 174.953 174.900 -0.318 0.000 1.018 110 G CA -0.167 44.825 45.100 -0.181 0.000 0.728 110 G HN 0.355 nan 8.290 nan 0.000 0.508 111 F N 0.672 120.579 119.950 -0.072 0.000 2.661 111 F HA 0.307 4.788 4.527 -0.076 0.000 0.306 111 F C 1.826 177.519 175.800 -0.177 0.000 1.094 111 F CA 0.746 58.646 58.000 -0.167 0.000 1.254 111 F CB 1.033 39.936 39.000 -0.161 0.000 1.040 111 F HN 0.179 nan 8.300 nan 0.000 0.562 112 S N -1.011 114.711 115.700 0.036 0.000 2.540 112 S HA 0.324 4.748 4.470 -0.077 0.000 0.222 112 S C 1.654 176.246 174.600 -0.014 0.000 1.008 112 S CA 0.320 58.530 58.200 0.016 0.000 0.939 112 S CB 0.585 63.810 63.200 0.042 0.000 0.865 112 S HN 0.414 nan 8.310 nan 0.000 0.499 113 G N 2.087 110.865 108.800 -0.035 0.000 2.176 113 G HA2 -0.269 3.645 3.960 -0.077 0.000 0.252 113 G HA3 -0.269 3.645 3.960 -0.077 0.000 0.252 113 G C -0.069 174.814 174.900 -0.028 0.000 1.024 113 G CA 0.366 45.443 45.100 -0.039 0.000 0.755 113 G HN 0.600 nan 8.290 nan 0.000 0.507 114 I N -0.303 120.255 120.570 -0.020 0.000 2.460 114 I HA 0.624 4.748 4.170 -0.077 0.000 0.298 114 I C 0.846 176.953 176.117 -0.017 0.000 0.989 114 I CA -1.520 59.772 61.300 -0.014 0.000 1.173 114 I CB 0.745 38.744 38.000 -0.002 0.000 1.338 114 I HN 0.132 nan 8.210 nan 0.000 0.456 115 R N 4.337 124.827 120.500 -0.017 0.000 2.640 115 R HA -0.022 4.271 4.340 -0.077 0.000 0.270 115 R C 1.123 177.416 176.300 -0.012 0.000 1.024 115 R CA 0.205 56.295 56.100 -0.017 0.000 1.085 115 R CB 0.433 30.723 30.300 -0.017 0.000 0.963 115 R HN 0.601 nan 8.270 nan 0.000 0.426 116 R N 2.792 123.284 120.500 -0.014 0.000 2.091 116 R HA -0.223 4.071 4.340 -0.077 0.000 0.238 116 R C 1.833 178.129 176.300 -0.006 0.000 1.136 116 R CA 1.980 58.074 56.100 -0.010 0.000 0.959 116 R CB -0.079 30.214 30.300 -0.012 0.000 0.856 116 R HN 0.530 nan 8.270 nan 0.000 0.437 117 K N -0.128 120.268 120.400 -0.008 0.000 2.074 117 K HA -0.152 4.121 4.320 -0.077 0.000 0.209 117 K C 1.695 178.293 176.600 -0.004 0.000 1.048 117 K CA 1.954 58.237 56.287 -0.007 0.000 0.926 117 K CB -0.031 32.464 32.500 -0.010 0.000 0.713 117 K HN 0.166 nan 8.250 nan 0.000 0.444 118 V N 1.567 121.480 119.914 -0.003 0.000 2.453 118 V HA -0.220 3.854 4.120 -0.077 0.000 0.247 118 V C 2.290 178.389 176.094 0.008 0.000 1.048 118 V CA 1.484 63.785 62.300 0.001 0.000 1.049 118 V CB -0.320 31.504 31.823 0.001 0.000 0.672 118 V HN 0.311 nan 8.190 nan 0.000 0.457 119 I N 0.208 120.783 120.570 0.008 0.000 2.252 119 I HA -0.201 3.923 4.170 -0.077 0.000 0.245 119 I C 2.282 178.407 176.117 0.014 0.000 1.102 119 I CA 1.514 62.822 61.300 0.015 0.000 1.385 119 I CB -0.574 37.434 38.000 0.013 0.000 1.064 119 I HN 0.304 nan 8.210 nan 0.000 0.414 120 D N 1.330 121.734 120.400 0.008 0.000 2.182 120 D HA -0.154 4.440 4.640 -0.077 0.000 0.201 120 D C 2.236 178.538 176.300 0.004 0.000 0.986 120 D CA 1.495 55.499 54.000 0.005 0.000 0.847 120 D CB -0.100 40.700 40.800 0.000 0.000 0.942 120 D HN 0.359 nan 8.370 nan 0.000 0.467 121 A N 0.713 123.535 122.820 0.004 0.000 1.902 121 A HA -0.126 4.148 4.320 -0.077 0.000 0.217 121 A C 2.398 179.987 177.584 0.009 0.000 1.181 121 A CA 0.884 52.922 52.037 0.002 0.000 0.623 121 A CB -0.758 18.243 19.000 0.002 0.000 0.818 121 A HN 0.201 nan 8.150 nan 0.000 0.443 122 L N -0.641 120.594 121.223 0.020 0.000 2.083 122 L HA -0.168 4.126 4.340 -0.077 0.000 0.209 122 L C 2.438 179.326 176.870 0.030 0.000 1.083 122 L CA 1.178 56.038 54.840 0.032 0.000 0.752 122 L CB -0.484 41.602 42.059 0.044 0.000 0.899 122 L HN 0.368 nan 8.230 nan 0.000 0.433 123 I N -0.175 120.409 120.570 0.024 0.000 2.286 123 I HA -0.284 3.840 4.170 -0.077 0.000 0.248 123 I C 2.705 178.827 176.117 0.009 0.000 1.115 123 I CA 1.219 62.532 61.300 0.022 0.000 1.392 123 I CB -0.401 37.611 38.000 0.019 0.000 1.065 123 I HN 0.204 nan 8.210 nan 0.000 0.418 124 A N 0.480 123.299 122.820 -0.001 0.000 2.014 124 A HA -0.063 4.210 4.320 -0.077 0.000 0.218 124 A C 2.259 179.823 177.584 -0.033 0.000 1.163 124 A CA 1.021 53.049 52.037 -0.016 0.000 0.652 124 A CB -0.591 18.397 19.000 -0.019 0.000 0.808 124 A HN 0.363 nan 8.150 nan 0.000 0.449 125 L N -0.641 120.565 121.223 -0.028 0.000 2.093 125 L HA -0.137 4.157 4.340 -0.077 0.000 0.208 125 L C 2.492 179.311 176.870 -0.085 0.000 1.085 125 L CA 0.890 55.697 54.840 -0.055 0.000 0.755 125 L CB -0.466 41.581 42.059 -0.019 0.000 0.904 125 L HN 0.239 nan 8.230 nan 0.000 0.435 126 V N 0.030 119.931 119.914 -0.021 0.000 2.261 126 V HA -0.263 3.811 4.120 -0.077 0.000 0.246 126 V C 2.178 178.263 176.094 -0.016 0.000 1.047 126 V CA 1.873 64.179 62.300 0.010 0.000 1.015 126 V CB -0.700 31.165 31.823 0.070 0.000 0.642 126 V HN 0.481 nan 8.190 nan 0.000 0.446 127 N N 0.810 119.505 118.700 -0.008 0.000 2.166 127 N HA -0.105 4.588 4.740 -0.077 0.000 0.186 127 N C 1.692 177.193 175.510 -0.015 0.000 1.019 127 N CA 1.629 54.678 53.050 -0.003 0.000 0.856 127 N CB -0.486 38.001 38.487 0.001 0.000 0.993 127 N HN 0.518 nan 8.380 nan 0.000 0.426 128 A N 0.403 123.196 122.820 -0.046 0.000 2.206 128 A HA 0.012 4.286 4.320 -0.077 0.000 0.211 128 A C 0.264 177.837 177.584 -0.017 0.000 1.158 128 A CA 0.250 52.266 52.037 -0.034 0.000 0.761 128 A CB -0.238 18.705 19.000 -0.095 0.000 0.801 128 A HN 0.354 nan 8.150 nan 0.000 0.473 129 E N -1.367 118.730 120.200 -0.172 0.000 2.358 129 E HA -0.123 4.181 4.350 -0.077 0.000 0.246 129 E C -0.952 175.275 176.600 -0.622 0.000 1.127 129 E CA 0.447 56.594 56.400 -0.421 0.000 0.726 129 E CB -2.062 27.611 29.700 -0.045 0.000 1.272 129 E HN 0.274 nan 8.360 nan 0.000 0.390 130 V N 1.883 121.420 119.914 -0.630 0.000 2.313 130 V HA 0.307 4.381 4.120 -0.077 0.000 0.278 130 V C -0.537 175.352 176.094 -0.341 0.000 1.017 130 V CA -0.459 61.642 62.300 -0.331 0.000 0.823 130 V CB 0.271 31.993 31.823 -0.169 0.000 1.010 130 V HN 0.164 nan 8.190 nan 0.000 0.443 131 Y N 5.528 125.907 120.300 0.131 0.000 2.356 131 Y HA 0.486 4.990 4.550 -0.076 0.000 0.334 131 Y C -2.246 173.775 175.900 0.202 0.000 0.958 131 Y CA -3.398 54.778 58.100 0.127 0.000 1.196 131 Y CB 1.150 39.656 38.460 0.076 0.000 1.137 131 Y HN 0.466 nan 8.280 nan 0.000 0.485 132 P HA -0.100 nan 4.420 nan 0.000 0.266 132 P C -0.159 177.390 177.300 0.415 0.000 1.193 132 P CA 0.247 63.544 63.100 0.328 0.000 0.770 132 P CB 0.419 32.261 31.700 0.237 0.000 0.836 133 H N 4.268 123.546 119.070 0.347 0.000 2.899 133 H HA 0.226 4.736 4.556 -0.077 0.000 0.303 133 H C -0.699 174.728 175.328 0.167 0.000 1.042 133 H CA 0.374 56.584 56.048 0.270 0.000 1.479 133 H CB -0.059 29.636 29.762 -0.111 0.000 1.493 133 H HN 0.274 nan 8.280 nan 0.000 0.534 134 I N 8.762 129.153 120.570 -0.299 0.000 2.447 134 I HA 0.222 4.346 4.170 -0.077 0.000 0.287 134 I C -2.377 173.433 176.117 -0.511 0.000 1.023 134 I CA -2.213 58.930 61.300 -0.261 0.000 1.083 134 I CB 2.357 40.355 38.000 -0.002 0.000 1.245 134 I HN 0.467 nan 8.210 nan 0.000 0.434 135 P HA 0.078 nan 4.420 nan 0.000 0.274 135 P C 0.394 177.639 177.300 -0.093 0.000 1.237 135 P CA -0.464 62.453 63.100 -0.303 0.000 0.793 135 P CB 1.318 32.845 31.700 -0.289 0.000 0.977 136 L N 0.959 122.178 121.223 -0.007 0.000 2.131 136 L HA 0.087 4.381 4.340 -0.077 0.000 0.206 136 L C 0.757 177.700 176.870 0.122 0.000 1.087 136 L CA 1.895 56.794 54.840 0.098 0.000 0.767 136 L CB -0.657 41.449 42.059 0.078 0.000 0.917 136 L HN 0.275 nan 8.230 nan 0.000 0.441 137 K N -2.069 118.359 120.400 0.048 0.000 2.185 137 K HA 0.589 4.863 4.320 -0.077 0.000 0.240 137 K C 0.301 176.909 176.600 0.013 0.000 0.983 137 K CA 0.091 56.397 56.287 0.033 0.000 0.873 137 K CB 1.528 34.038 32.500 0.016 0.000 1.118 137 K HN 0.101 nan 8.250 nan 0.000 0.441 138 G N 0.024 108.823 108.800 -0.002 0.000 3.753 138 G HA2 -0.203 3.711 3.960 -0.077 0.000 0.196 138 G HA3 -0.203 3.711 3.960 -0.077 0.000 0.196 138 G C -0.102 174.775 174.900 -0.038 0.000 1.538 138 G CA -0.381 44.712 45.100 -0.010 0.000 1.040 138 G HN 0.530 nan 8.290 nan 0.000 0.427 139 S N 0.901 116.569 115.700 -0.053 0.000 2.549 139 S HA 0.367 4.791 4.470 -0.077 0.000 0.286 139 S C 1.512 176.052 174.600 -0.100 0.000 1.314 139 S CA 0.500 58.647 58.200 -0.088 0.000 1.062 139 S CB 1.282 64.407 63.200 -0.125 0.000 0.865 139 S HN 1.515 nan 8.310 nan 0.000 0.498 140 V N 2.253 122.101 119.914 -0.111 0.000 3.376 140 V HA 0.509 4.583 4.120 -0.077 0.000 0.313 140 V C 1.150 177.159 176.094 -0.142 0.000 1.393 140 V CA 0.182 62.411 62.300 -0.118 0.000 1.125 140 V CB -0.602 31.149 31.823 -0.121 0.000 1.037 140 V HN 1.281 nan 8.190 nan 0.000 0.440 141 G N -0.123 108.595 108.800 -0.137 0.000 2.246 141 G HA2 -0.011 3.903 3.960 -0.077 0.000 0.273 141 G HA3 -0.011 3.903 3.960 -0.077 0.000 0.273 141 G C 0.387 175.197 174.900 -0.150 0.000 1.055 141 G CA 0.601 45.627 45.100 -0.124 0.000 0.851 141 G HN 1.411 nan 8.290 nan 0.000 0.500 142 A N -0.749 121.977 122.820 -0.157 0.000 2.522 142 A HA 0.964 5.238 4.320 -0.077 0.000 0.204 142 A C 2.505 179.998 177.584 -0.152 0.000 1.826 142 A CA 1.609 53.571 52.037 -0.125 0.000 1.652 142 A CB -1.048 17.784 19.000 -0.280 0.000 1.452 142 A HN 1.963 nan 8.150 nan 0.000 0.477 143 S N -0.826 114.640 115.700 -0.391 0.000 2.498 143 S HA 0.046 4.470 4.470 -0.077 0.000 0.327 143 S C 2.535 176.919 174.600 -0.359 0.000 1.055 143 S CA 2.225 60.074 58.200 -0.586 0.000 1.107 143 S CB -1.776 61.102 63.200 -0.536 0.000 0.593 143 S HN 2.649 nan 8.310 nan 0.000 0.517 144 G N 0.422 109.183 108.800 -0.064 0.000 2.596 144 G HA2 -0.289 3.625 3.960 -0.077 0.000 0.295 144 G HA3 -0.289 3.625 3.960 -0.077 0.000 0.295 144 G C -0.195 174.670 174.900 -0.059 0.000 1.240 144 G CA 0.326 45.419 45.100 -0.011 0.000 0.985 144 G HN 0.684 nan 8.290 nan 0.000 0.555 145 D N 1.796 122.176 120.400 -0.034 0.000 3.168 145 D HA 0.354 4.948 4.640 -0.077 0.000 0.255 145 D C 2.120 178.411 176.300 -0.015 0.000 1.314 145 D CA -0.109 53.859 54.000 -0.052 0.000 0.900 145 D CB -0.038 40.720 40.800 -0.070 0.000 1.072 145 D HN 0.394 nan 8.370 nan 0.000 0.487 146 L N 0.714 121.921 121.223 -0.027 0.000 1.951 146 L HA -0.289 4.005 4.340 -0.077 0.000 0.222 146 L C 2.593 179.493 176.870 0.050 0.000 1.078 146 L CA 1.774 56.621 54.840 0.011 0.000 0.778 146 L CB -0.690 41.333 42.059 -0.061 0.000 0.893 146 L HN 0.175 nan 8.230 nan 0.000 0.436 147 A N 0.554 123.395 122.820 0.035 0.000 1.859 147 A HA -0.181 4.093 4.320 -0.077 0.000 0.218 147 A C 0.179 177.904 177.584 0.236 0.000 1.209 147 A CA 2.490 54.604 52.037 0.129 0.000 0.639 147 A CB -2.167 16.893 19.000 0.100 0.000 0.835 147 A HN 0.363 nan 8.150 nan 0.000 0.450 148 P HA -0.163 nan 4.420 nan 0.000 0.216 148 P C 1.553 178.943 177.300 0.150 0.000 1.153 148 P CA 1.270 64.449 63.100 0.131 0.000 0.858 148 P CB -0.258 31.475 31.700 0.055 0.000 0.789 149 L N -1.146 120.142 121.223 0.107 0.000 2.156 149 L HA -0.056 4.238 4.340 -0.077 0.000 0.208 149 L C 2.762 179.691 176.870 0.099 0.000 1.095 149 L CA 1.213 56.110 54.840 0.096 0.000 0.770 149 L CB -1.041 41.059 42.059 0.068 0.000 0.914 149 L HN -0.062 nan 8.230 nan 0.000 0.439 150 A N -0.760 122.120 122.820 0.100 0.000 1.873 150 A HA -0.218 4.056 4.320 -0.077 0.000 0.215 150 A C 2.153 179.758 177.584 0.036 0.000 1.186 150 A CA 1.260 53.327 52.037 0.051 0.000 0.616 150 A CB -0.795 18.225 19.000 0.034 0.000 0.823 150 A HN 0.387 nan 8.150 nan 0.000 0.442 151 H N -1.161 117.955 119.070 0.077 0.000 2.387 151 H HA -0.150 4.360 4.556 -0.077 0.000 0.299 151 H C 2.131 177.521 175.328 0.103 0.000 1.099 151 H CA 1.928 58.034 56.048 0.096 0.000 1.315 151 H CB -0.241 29.590 29.762 0.115 0.000 1.380 151 H HN 0.564 nan 8.280 nan 0.000 0.513 152 M N 0.367 120.096 119.600 0.215 0.000 2.086 152 M HA -0.142 4.291 4.480 -0.077 0.000 0.261 152 M C 2.067 178.439 176.300 0.119 0.000 1.067 152 M CA 1.545 56.945 55.300 0.166 0.000 1.116 152 M CB 0.114 32.800 32.600 0.144 0.000 1.348 152 M HN 0.019 nan 8.290 nan 0.000 0.407 153 S N 1.209 116.961 115.700 0.087 0.000 2.453 153 S HA -0.028 4.395 4.470 -0.077 0.000 0.231 153 S C 1.754 176.376 174.600 0.037 0.000 1.005 153 S CA 0.744 58.976 58.200 0.053 0.000 0.949 153 S CB -0.429 62.790 63.200 0.032 0.000 0.774 153 S HN 0.491 nan 8.310 nan 0.000 0.510 154 L N 1.151 122.395 121.223 0.036 0.000 2.051 154 L HA -0.166 4.128 4.340 -0.077 0.000 0.214 154 L C 2.268 179.158 176.870 0.033 0.000 1.076 154 L CA 1.070 55.921 54.840 0.018 0.000 0.758 154 L CB -0.816 41.252 42.059 0.016 0.000 0.890 154 L HN 0.224 nan 8.230 nan 0.000 0.433 155 V N 0.034 119.984 119.914 0.060 0.000 2.490 155 V HA -0.280 3.794 4.120 -0.077 0.000 0.250 155 V C 2.299 178.413 176.094 0.033 0.000 1.061 155 V CA 1.571 63.905 62.300 0.056 0.000 1.064 155 V CB -0.487 31.386 31.823 0.084 0.000 0.670 155 V HN 0.394 nan 8.190 nan 0.000 0.461 156 L N -0.684 120.557 121.223 0.029 0.000 2.275 156 L HA -0.098 4.195 4.340 -0.077 0.000 0.215 156 L C 2.023 178.897 176.870 0.007 0.000 1.119 156 L CA 1.190 56.040 54.840 0.016 0.000 0.790 156 L CB -0.476 41.593 42.059 0.016 0.000 0.919 156 L HN 0.313 nan 8.230 nan 0.000 0.443 157 L N -0.523 120.703 121.223 0.005 0.000 2.567 157 L HA 0.259 4.553 4.340 -0.077 0.000 0.225 157 L C 1.343 178.212 176.870 -0.001 0.000 1.119 157 L CA 0.424 55.263 54.840 -0.002 0.000 0.871 157 L CB -0.275 41.780 42.059 -0.008 0.000 1.036 157 L HN 0.391 nan 8.230 nan 0.000 0.459 158 G N 0.153 108.955 108.800 0.004 0.000 2.149 158 G HA2 -0.180 3.734 3.960 -0.077 0.000 0.235 158 G HA3 -0.180 3.734 3.960 -0.077 0.000 0.235 158 G C -0.002 174.901 174.900 0.004 0.000 1.018 158 G CA -0.153 44.949 45.100 0.004 0.000 0.728 158 G HN 0.305 nan 8.290 nan 0.000 0.508 159 E N -0.721 119.482 120.200 0.006 0.000 2.370 159 E HA 0.725 5.029 4.350 -0.077 0.000 0.259 159 E C 1.035 177.642 176.600 0.011 0.000 0.947 159 E CA 0.159 56.559 56.400 -0.000 0.000 0.809 159 E CB 1.116 30.809 29.700 -0.012 0.000 1.300 159 E HN 1.451 nan 8.360 nan 0.000 0.419 160 G N 1.111 109.910 108.800 -0.003 0.000 2.552 160 G HA2 -0.267 3.647 3.960 -0.077 0.000 0.265 160 G HA3 -0.267 3.647 3.960 -0.077 0.000 0.265 160 G C -0.354 174.548 174.900 0.003 0.000 1.234 160 G CA 0.708 45.811 45.100 0.004 0.000 0.944 160 G HN 0.740 nan 8.290 nan 0.000 0.568 161 K N -1.001 119.421 120.400 0.036 0.000 2.579 161 K HA 0.788 5.062 4.320 -0.077 0.000 0.284 161 K C -0.840 175.910 176.600 0.249 0.000 0.990 161 K CA -0.296 56.036 56.287 0.076 0.000 0.880 161 K CB 1.587 34.043 32.500 -0.073 0.000 1.488 161 K HN 2.298 nan 8.250 nan 0.000 0.425 162 A N 1.548 124.593 122.820 0.374 0.000 2.539 162 A HA 0.642 4.915 4.320 -0.077 0.000 0.296 162 A C -1.490 176.404 177.584 0.516 0.000 1.073 162 A CA -0.881 51.440 52.037 0.473 0.000 0.700 162 A CB 1.911 21.066 19.000 0.258 0.000 1.296 162 A HN 0.723 nan 8.150 nan 0.000 0.405 163 R N 0.409 121.130 120.500 0.369 0.000 2.312 163 R HA 0.556 4.849 4.340 -0.077 0.000 0.311 163 R C -1.854 174.544 176.300 0.163 0.000 1.004 163 R CA -0.184 55.935 56.100 0.031 0.000 0.902 163 R CB 0.873 30.930 30.300 -0.405 0.000 1.073 163 R HN 0.714 nan 8.270 nan 0.000 0.457 164 Y N 3.626 123.899 120.300 -0.046 0.000 2.396 164 Y HA 0.190 4.694 4.550 -0.077 0.000 0.332 164 Y C -0.833 175.039 175.900 -0.046 0.000 1.034 164 Y CA -1.187 56.888 58.100 -0.042 0.000 1.057 164 Y CB 1.283 39.723 38.460 -0.033 0.000 1.220 164 Y HN 0.591 nan 8.280 nan 0.000 0.440 165 K N 4.349 124.399 120.400 -0.583 0.000 3.071 165 K HA -0.217 4.056 4.320 -0.077 0.000 0.262 165 K C 0.909 177.368 176.600 -0.235 0.000 0.977 165 K CA 1.228 57.250 56.287 -0.442 0.000 0.721 165 K CB -1.814 30.360 32.500 -0.544 0.000 1.293 165 K HN 1.560 nan 8.250 nan 0.000 0.475 166 G N -0.124 108.560 108.800 -0.194 0.000 2.168 166 G HA2 -0.364 3.550 3.960 -0.077 0.000 0.263 166 G HA3 -0.364 3.550 3.960 -0.077 0.000 0.263 166 G C -0.017 174.736 174.900 -0.246 0.000 0.977 166 G CA 1.007 45.983 45.100 -0.208 0.000 0.659 166 G HN 0.672 nan 8.290 nan 0.000 0.533 167 Q N -0.671 119.014 119.800 -0.192 0.000 2.348 167 Q HA 0.505 4.799 4.340 -0.077 0.000 0.271 167 Q C -0.865 175.078 176.000 -0.095 0.000 1.067 167 Q CA -1.363 54.357 55.803 -0.139 0.000 0.839 167 Q CB 1.256 29.986 28.738 -0.013 0.000 1.354 167 Q HN 0.374 nan 8.270 nan 0.000 0.447 168 W N 2.657 124.007 121.300 0.082 0.000 2.437 168 W HA 0.402 5.015 4.660 -0.078 0.000 0.312 168 W C -0.238 176.325 176.519 0.075 0.000 1.242 168 W CA -0.483 56.913 57.345 0.085 0.000 1.340 168 W CB 0.650 30.148 29.460 0.064 0.000 1.327 168 W HN 0.352 nan 8.180 nan 0.000 0.476 169 L N 3.489 124.921 121.223 0.348 0.000 2.344 169 L HA 0.428 4.722 4.340 -0.077 0.000 0.272 169 L C 0.899 177.876 176.870 0.178 0.000 1.035 169 L CA -0.982 53.985 54.840 0.211 0.000 0.807 169 L CB 1.564 43.715 42.059 0.153 0.000 1.237 169 L HN 0.415 nan 8.230 nan 0.000 0.442 170 S N 0.776 116.539 115.700 0.106 0.000 2.584 170 S HA 0.205 4.629 4.470 -0.077 0.000 0.270 170 S C 1.040 175.675 174.600 0.059 0.000 1.346 170 S CA -0.032 58.208 58.200 0.067 0.000 1.018 170 S CB 1.498 64.722 63.200 0.039 0.000 0.899 170 S HN 0.718 nan 8.310 nan 0.000 0.542 171 A N 2.154 125.001 122.820 0.045 0.000 1.908 171 A HA -0.060 4.214 4.320 -0.077 0.000 0.218 171 A C 2.466 180.060 177.584 0.017 0.000 1.181 171 A CA 2.172 54.233 52.037 0.039 0.000 0.627 171 A CB -2.027 16.993 19.000 0.033 0.000 0.818 171 A HN 1.189 nan 8.150 nan 0.000 0.445 172 T N -1.032 113.528 114.554 0.010 0.000 2.737 172 T HA -0.181 4.123 4.350 -0.077 0.000 0.265 172 T C 1.595 176.288 174.700 -0.012 0.000 1.038 172 T CA 1.526 63.624 62.100 -0.003 0.000 1.144 172 T CB -0.599 68.268 68.868 -0.002 0.000 0.866 172 T HN 0.678 nan 8.240 nan 0.000 0.434 173 E N 2.315 122.511 120.200 -0.006 0.000 2.051 173 E HA -0.002 4.302 4.350 -0.077 0.000 0.192 173 E C 2.697 179.260 176.600 -0.061 0.000 0.991 173 E CA 1.012 57.397 56.400 -0.024 0.000 0.799 173 E CB -0.590 29.107 29.700 -0.005 0.000 0.748 173 E HN 0.650 nan 8.360 nan 0.000 0.449 174 A N 1.753 124.550 122.820 -0.039 0.000 1.892 174 A HA -0.208 4.066 4.320 -0.077 0.000 0.218 174 A C 2.297 179.820 177.584 -0.102 0.000 1.188 174 A CA 1.420 53.412 52.037 -0.075 0.000 0.631 174 A CB -0.893 18.114 19.000 0.011 0.000 0.822 174 A HN 0.182 nan 8.150 nan 0.000 0.447 175 L N -0.964 120.226 121.223 -0.054 0.000 2.079 175 L HA -0.237 4.057 4.340 -0.077 0.000 0.210 175 L C 3.072 179.898 176.870 -0.073 0.000 1.081 175 L CA 1.107 55.915 54.840 -0.053 0.000 0.752 175 L CB -0.446 41.596 42.059 -0.028 0.000 0.896 175 L HN 0.477 nan 8.230 nan 0.000 0.433 176 A N -0.676 122.099 122.820 -0.075 0.000 1.930 176 A HA -0.122 4.151 4.320 -0.077 0.000 0.217 176 A C 2.285 179.799 177.584 -0.117 0.000 1.175 176 A CA 1.391 53.382 52.037 -0.077 0.000 0.627 176 A CB -0.685 18.280 19.000 -0.059 0.000 0.815 176 A HN 0.202 nan 8.150 nan 0.000 0.443 177 V N -0.289 119.510 119.914 -0.192 0.000 2.392 177 V HA -0.258 3.816 4.120 -0.077 0.000 0.249 177 V C 2.770 178.731 176.094 -0.221 0.000 1.059 177 V CA 1.970 64.089 62.300 -0.301 0.000 1.051 177 V CB -0.956 30.477 31.823 -0.650 0.000 0.658 177 V HN 0.599 nan 8.190 nan 0.000 0.455 178 A N -0.886 121.832 122.820 -0.170 0.000 2.251 178 A HA 0.440 4.713 4.320 -0.077 0.000 0.209 178 A C 1.792 179.332 177.584 -0.073 0.000 1.187 178 A CA 0.849 52.818 52.037 -0.113 0.000 0.823 178 A CB -0.300 18.641 19.000 -0.098 0.000 0.846 178 A HN 1.281 nan 8.150 nan 0.000 0.486 179 G N -0.881 107.876 108.800 -0.071 0.000 2.212 179 G HA2 -0.182 3.732 3.960 -0.077 0.000 0.255 179 G HA3 -0.182 3.732 3.960 -0.077 0.000 0.255 179 G C -0.140 174.737 174.900 -0.037 0.000 1.062 179 G CA 0.473 45.545 45.100 -0.048 0.000 0.815 179 G HN 0.449 nan 8.290 nan 0.000 0.497 180 L N -1.244 119.955 121.223 -0.040 0.000 2.279 180 L HA 0.864 5.157 4.340 -0.077 0.000 0.262 180 L C 0.255 177.109 176.870 -0.026 0.000 1.019 180 L CA -1.091 53.731 54.840 -0.029 0.000 0.823 180 L CB 2.096 44.139 42.059 -0.028 0.000 1.358 180 L HN 0.190 nan 8.230 nan 0.000 0.432 181 E N 0.425 120.613 120.200 -0.020 0.000 2.317 181 E HA 0.384 4.687 4.350 -0.077 0.000 0.270 181 E C -2.478 174.114 176.600 -0.012 0.000 0.885 181 E CA -1.882 54.508 56.400 -0.016 0.000 0.760 181 E CB 2.117 31.808 29.700 -0.015 0.000 1.227 181 E HN 0.270 nan 8.360 nan 0.000 0.434 182 P HA -0.112 nan 4.420 nan 0.000 0.263 182 P C -0.930 176.365 177.300 -0.008 0.000 1.162 182 P CA 0.746 63.842 63.100 -0.007 0.000 0.758 182 P CB 0.342 32.038 31.700 -0.007 0.000 0.773 183 L N 2.395 123.614 121.223 -0.007 0.000 2.352 183 L HA 0.435 4.729 4.340 -0.077 0.000 0.269 183 L C 0.691 177.555 176.870 -0.010 0.000 1.034 183 L CA -0.312 54.522 54.840 -0.008 0.000 0.806 183 L CB 1.483 43.538 42.059 -0.007 0.000 1.244 183 L HN 0.260 nan 8.230 nan 0.000 0.447 184 T N 2.800 117.346 114.554 -0.012 0.000 2.797 184 T HA 0.564 4.868 4.350 -0.077 0.000 0.279 184 T C -0.317 174.372 174.700 -0.017 0.000 0.991 184 T CA -0.449 61.642 62.100 -0.015 0.000 0.979 184 T CB 1.002 69.860 68.868 -0.016 0.000 0.943 184 T HN 0.229 nan 8.240 nan 0.000 0.444 185 L N 2.304 123.515 121.223 -0.020 0.000 2.343 185 L HA 0.775 5.069 4.340 -0.077 0.000 0.275 185 L C 0.627 177.481 176.870 -0.027 0.000 1.056 185 L CA -0.912 53.915 54.840 -0.022 0.000 0.804 185 L CB 1.137 43.183 42.059 -0.022 0.000 1.203 185 L HN 0.687 nan 8.230 nan 0.000 0.440 186 A N 1.671 124.474 122.820 -0.029 0.000 2.248 186 A HA 0.808 5.082 4.320 -0.077 0.000 0.316 186 A C 0.043 177.603 177.584 -0.039 0.000 1.101 186 A CA -0.376 51.640 52.037 -0.035 0.000 0.875 186 A CB 0.732 19.712 19.000 -0.033 0.000 1.207 186 A HN 0.784 nan 8.150 nan 0.000 0.504 187 A N -0.323 122.469 122.820 -0.047 0.000 2.587 187 A HA 0.376 4.650 4.320 -0.077 0.000 0.235 187 A C 1.140 178.694 177.584 -0.049 0.000 1.044 187 A CA 1.343 53.346 52.037 -0.055 0.000 0.754 187 A CB -0.363 18.602 19.000 -0.059 0.000 0.968 187 A HN 1.819 nan 8.150 nan 0.000 0.509 188 K N 0.378 120.747 120.400 -0.053 0.000 3.612 188 K HA -0.218 4.056 4.320 -0.077 0.000 0.274 188 K C 0.907 177.494 176.600 -0.021 0.000 1.123 188 K CA 2.589 58.853 56.287 -0.039 0.000 1.059 188 K CB -1.887 30.591 32.500 -0.037 0.000 1.330 188 K HN 0.860 nan 8.250 nan 0.000 0.477 189 E N -0.953 119.234 120.200 -0.022 0.000 2.107 189 E HA -0.028 4.276 4.350 -0.077 0.000 0.191 189 E C 1.922 178.514 176.600 -0.012 0.000 0.982 189 E CA 0.940 57.332 56.400 -0.014 0.000 0.809 189 E CB -0.252 29.439 29.700 -0.017 0.000 0.756 189 E HN 0.556 nan 8.360 nan 0.000 0.459 190 G N 1.931 110.718 108.800 -0.022 0.000 2.480 190 G HA2 -0.266 3.648 3.960 -0.077 0.000 0.216 190 G HA3 -0.266 3.648 3.960 -0.077 0.000 0.216 190 G C 1.612 176.496 174.900 -0.026 0.000 1.200 190 G CA 0.614 45.692 45.100 -0.036 0.000 0.782 190 G HN 0.086 nan 8.290 nan 0.000 0.554 191 L N 0.717 121.938 121.223 -0.004 0.000 2.083 191 L HA -0.061 4.233 4.340 -0.077 0.000 0.209 191 L C 3.405 180.296 176.870 0.034 0.000 1.083 191 L CA 0.963 55.815 54.840 0.019 0.000 0.752 191 L CB -0.379 41.710 42.059 0.048 0.000 0.899 191 L HN 0.327 nan 8.230 nan 0.000 0.433 192 A N -0.179 122.657 122.820 0.027 0.000 2.019 192 A HA -0.120 4.153 4.320 -0.077 0.000 0.219 192 A C 2.169 179.776 177.584 0.038 0.000 1.164 192 A CA 1.359 53.418 52.037 0.036 0.000 0.644 192 A CB -0.445 18.569 19.000 0.023 0.000 0.805 192 A HN 0.411 nan 8.150 nan 0.000 0.449 193 L N -1.130 120.109 121.223 0.027 0.000 2.298 193 L HA 0.073 4.367 4.340 -0.077 0.000 0.209 193 L C 2.173 179.067 176.870 0.040 0.000 1.084 193 L CA 0.188 55.047 54.840 0.033 0.000 0.816 193 L CB -0.170 41.904 42.059 0.024 0.000 0.967 193 L HN 0.262 nan 8.230 nan 0.000 0.460 194 L N -0.772 120.470 121.223 0.032 0.000 2.202 194 L HA 0.066 4.359 4.340 -0.077 0.000 0.205 194 L C 0.631 177.530 176.870 0.048 0.000 1.083 194 L CA 0.652 55.518 54.840 0.043 0.000 0.790 194 L CB -0.457 41.621 42.059 0.031 0.000 0.942 194 L HN 0.315 nan 8.230 nan 0.000 0.452 195 N N 0.625 119.356 118.700 0.052 0.000 2.458 195 N HA 0.383 5.077 4.740 -0.077 0.000 0.270 195 N C 0.080 175.656 175.510 0.109 0.000 1.102 195 N CA 0.248 53.344 53.050 0.076 0.000 0.967 195 N CB 1.406 39.963 38.487 0.118 0.000 1.078 195 N HN 0.191 nan 8.380 nan 0.000 0.471 196 G N -0.267 108.604 108.800 0.118 0.000 2.322 196 G HA2 0.131 4.045 3.960 -0.077 0.000 0.295 196 G HA3 0.131 4.045 3.960 -0.077 0.000 0.295 196 G C -0.306 174.644 174.900 0.084 0.000 1.369 196 G CA -0.525 44.638 45.100 0.106 0.000 0.821 196 G HN 0.374 nan 8.290 nan 0.000 0.536 197 T N -2.606 111.984 114.554 0.059 0.000 3.252 197 T HA 0.274 4.578 4.350 -0.077 0.000 0.286 197 T C 1.333 176.033 174.700 0.001 0.000 1.013 197 T CA 0.196 62.311 62.100 0.025 0.000 0.914 197 T CB 0.809 69.696 68.868 0.033 0.000 1.131 197 T HN 0.304 nan 8.240 nan 0.000 0.529 198 Q N 1.666 121.474 119.800 0.014 0.000 2.079 198 Q HA 0.245 4.539 4.340 -0.077 0.000 0.200 198 Q C 2.619 178.618 176.000 -0.002 0.000 0.974 198 Q CA 1.836 57.652 55.803 0.021 0.000 0.840 198 Q CB -0.602 28.165 28.738 0.048 0.000 0.898 198 Q HN 0.703 nan 8.270 nan 0.000 0.430 199 A N 0.030 122.817 122.820 -0.056 0.000 1.858 199 A HA -0.226 4.048 4.320 -0.077 0.000 0.216 199 A C 2.293 179.637 177.584 -0.400 0.000 1.190 199 A CA 1.885 53.816 52.037 -0.177 0.000 0.617 199 A CB -0.919 17.937 19.000 -0.240 0.000 0.827 199 A HN 0.313 nan 8.150 nan 0.000 0.443 200 S N -0.394 115.107 115.700 -0.330 0.000 2.359 200 S HA -0.162 4.261 4.470 -0.077 0.000 0.223 200 S C 2.086 176.630 174.600 -0.093 0.000 1.039 200 S CA 2.015 60.058 58.200 -0.262 0.000 1.042 200 S CB -0.647 62.463 63.200 -0.149 0.000 0.915 200 S HN 0.735 nan 8.310 nan 0.000 0.439 201 T N 2.272 116.801 114.554 -0.042 0.000 2.777 201 T HA -0.004 4.300 4.350 -0.077 0.000 0.266 201 T C 2.145 176.862 174.700 0.028 0.000 1.040 201 T CA 1.160 63.255 62.100 -0.007 0.000 1.141 201 T CB -0.558 68.310 68.868 -0.000 0.000 0.868 201 T HN 0.453 nan 8.240 nan 0.000 0.444 202 A N 0.835 123.707 122.820 0.085 0.000 1.908 202 A HA -0.123 4.150 4.320 -0.077 0.000 0.218 202 A C 2.090 179.831 177.584 0.262 0.000 1.181 202 A CA 1.460 53.590 52.037 0.154 0.000 0.627 202 A CB -1.027 18.107 19.000 0.223 0.000 0.818 202 A HN 0.488 nan 8.150 nan 0.000 0.445 203 Y N -0.269 120.110 120.300 0.132 0.000 2.181 203 Y HA -0.071 4.431 4.550 -0.080 0.000 0.288 203 Y C 2.960 178.985 175.900 0.209 0.000 1.146 203 Y CA 0.383 58.691 58.100 0.345 0.000 1.164 203 Y CB -1.130 37.465 38.460 0.225 0.000 0.982 203 Y HN 0.333 nan 8.280 nan 0.000 0.515 204 A N -0.308 122.623 122.820 0.184 0.000 1.929 204 A HA -0.086 4.188 4.320 -0.077 0.000 0.216 204 A C 2.339 179.835 177.584 -0.146 0.000 1.176 204 A CA 1.097 53.146 52.037 0.020 0.000 0.628 204 A CB -1.037 17.948 19.000 -0.025 0.000 0.816 204 A HN 0.441 nan 8.150 nan 0.000 0.444 205 L N -0.854 120.221 121.223 -0.247 0.000 2.083 205 L HA -0.192 4.102 4.340 -0.077 0.000 0.209 205 L C 2.765 179.034 176.870 -1.002 0.000 1.083 205 L CA 1.767 56.214 54.840 -0.655 0.000 0.752 205 L CB -0.411 41.344 42.059 -0.508 0.000 0.899 205 L HN 0.521 nan 8.230 nan 0.000 0.433 206 R N 0.269 120.413 120.500 -0.593 0.000 2.073 206 R HA -0.145 4.149 4.340 -0.077 0.000 0.234 206 R C 2.259 178.145 176.300 -0.690 0.000 1.134 206 R CA 1.646 57.275 56.100 -0.785 0.000 0.952 206 R CB -0.655 29.233 30.300 -0.687 0.000 0.850 206 R HN 0.318 nan 8.270 nan 0.000 0.433 207 G N 1.663 110.340 108.800 -0.205 0.000 2.491 207 G HA2 -0.318 3.596 3.960 -0.077 0.000 0.218 207 G HA3 -0.318 3.596 3.960 -0.077 0.000 0.218 207 G C 1.330 176.159 174.900 -0.117 0.000 1.180 207 G CA 0.947 46.037 45.100 -0.017 0.000 0.774 207 G HN 0.347 nan 8.290 nan 0.000 0.562 208 L N 0.025 121.085 121.223 -0.272 0.000 1.971 208 L HA -0.080 4.214 4.340 -0.077 0.000 0.215 208 L C 2.633 179.431 176.870 -0.121 0.000 1.072 208 L CA 1.928 56.616 54.840 -0.254 0.000 0.758 208 L CB -0.864 40.938 42.059 -0.428 0.000 0.889 208 L HN 0.186 nan 8.230 nan 0.000 0.433 209 F N -0.826 119.043 119.950 -0.135 0.000 2.091 209 F HA -0.258 4.224 4.527 -0.074 0.000 0.299 209 F C 2.473 178.326 175.800 0.088 0.000 1.103 209 F CA 1.351 59.301 58.000 -0.084 0.000 1.228 209 F CB -1.728 37.151 39.000 -0.202 0.000 0.984 209 F HN 0.127 nan 8.300 nan 0.000 0.477 210 Y N 0.130 120.533 120.300 0.172 0.000 2.181 210 Y HA -0.123 4.379 4.550 -0.080 0.000 0.288 210 Y C 2.588 178.556 175.900 0.112 0.000 1.146 210 Y CA 0.409 58.587 58.100 0.131 0.000 1.164 210 Y CB -1.674 36.859 38.460 0.121 0.000 0.982 210 Y HN 0.046 nan 8.280 nan 0.000 0.515 211 A N 0.119 123.090 122.820 0.251 0.000 1.902 211 A HA -0.200 4.073 4.320 -0.077 0.000 0.217 211 A C 2.172 179.860 177.584 0.173 0.000 1.181 211 A CA 1.696 53.840 52.037 0.178 0.000 0.623 211 A CB -0.671 18.400 19.000 0.119 0.000 0.818 211 A HN 0.516 nan 8.150 nan 0.000 0.443 212 E N -0.038 120.257 120.200 0.158 0.000 2.058 212 E HA -0.212 4.092 4.350 -0.077 0.000 0.194 212 E C 1.542 178.242 176.600 0.167 0.000 0.997 212 E CA 1.295 57.781 56.400 0.142 0.000 0.801 212 E CB -0.254 29.526 29.700 0.134 0.000 0.746 212 E HN 0.543 nan 8.360 nan 0.000 0.450 213 D N 0.696 121.199 120.400 0.171 0.000 2.123 213 D HA -0.156 4.438 4.640 -0.077 0.000 0.196 213 D C 2.094 178.446 176.300 0.087 0.000 0.992 213 D CA 0.938 55.011 54.000 0.121 0.000 0.833 213 D CB -0.239 40.640 40.800 0.132 0.000 0.954 213 D HN 0.168 nan 8.370 nan 0.000 0.455 214 L N -0.405 120.885 121.223 0.112 0.000 2.093 214 L HA -0.155 4.138 4.340 -0.077 0.000 0.208 214 L C 2.437 179.352 176.870 0.074 0.000 1.085 214 L CA 0.722 55.606 54.840 0.074 0.000 0.755 214 L CB -0.491 41.624 42.059 0.093 0.000 0.904 214 L HN 0.031 nan 8.230 nan 0.000 0.435 215 Y N 1.069 121.374 120.300 0.009 0.000 2.097 215 Y HA -0.322 4.181 4.550 -0.079 0.000 0.282 215 Y C 2.549 178.413 175.900 -0.059 0.000 1.152 215 Y CA 1.516 59.609 58.100 -0.011 0.000 1.136 215 Y CB -0.387 38.073 38.460 -0.001 0.000 0.975 215 Y HN 0.084 nan 8.280 nan 0.000 0.498 216 A N 0.674 123.602 122.820 0.180 0.000 1.908 216 A HA -0.192 4.082 4.320 -0.077 0.000 0.218 216 A C 2.419 179.916 177.584 -0.145 0.000 1.181 216 A CA 2.275 54.327 52.037 0.025 0.000 0.627 216 A CB -1.611 17.421 19.000 0.053 0.000 0.818 216 A HN 0.676 nan 8.150 nan 0.000 0.445 217 A N -0.326 122.409 122.820 -0.140 0.000 1.930 217 A HA 0.194 4.468 4.320 -0.077 0.000 0.217 217 A C 2.497 179.940 177.584 -0.234 0.000 1.175 217 A CA 1.983 53.885 52.037 -0.224 0.000 0.627 217 A CB -0.975 17.906 19.000 -0.199 0.000 0.815 217 A HN 1.087 nan 8.150 nan 0.000 0.443 218 A N 0.112 122.813 122.820 -0.198 0.000 1.933 218 A HA -0.074 4.200 4.320 -0.077 0.000 0.218 218 A C 1.972 179.422 177.584 -0.223 0.000 1.175 218 A CA 1.618 53.551 52.037 -0.174 0.000 0.628 218 A CB -0.484 18.424 19.000 -0.154 0.000 0.814 218 A HN 0.420 nan 8.150 nan 0.000 0.444 219 I N -0.073 120.244 120.570 -0.421 0.000 2.226 219 I HA -0.219 3.905 4.170 -0.077 0.000 0.245 219 I C 2.869 178.757 176.117 -0.382 0.000 1.100 219 I CA 1.475 62.403 61.300 -0.621 0.000 1.374 219 I CB -1.681 35.812 38.000 -0.845 0.000 1.057 219 I HN 0.361 nan 8.210 nan 0.000 0.413 220 A N 0.088 122.730 122.820 -0.297 0.000 1.897 220 A HA -0.174 4.100 4.320 -0.077 0.000 0.215 220 A C 2.588 180.082 177.584 -0.151 0.000 1.181 220 A CA 1.544 53.448 52.037 -0.222 0.000 0.620 220 A CB -1.094 17.751 19.000 -0.259 0.000 0.821 220 A HN 0.484 nan 8.150 nan 0.000 0.443 221 C N -0.903 118.296 119.300 -0.168 0.000 2.429 221 C HA 0.006 4.420 4.460 -0.077 0.000 0.277 221 C C 3.001 178.013 174.990 0.037 0.000 1.262 221 C CA 0.650 59.629 59.018 -0.065 0.000 1.733 221 C CB -1.587 26.119 27.740 -0.057 0.000 2.010 221 C HN 0.698 nan 8.230 nan 0.000 0.483 222 G N 0.339 109.183 108.800 0.073 0.000 2.418 222 G HA2 -0.007 3.907 3.960 -0.077 0.000 0.217 222 G HA3 -0.007 3.907 3.960 -0.077 0.000 0.217 222 G C 1.794 176.821 174.900 0.211 0.000 1.158 222 G CA 1.177 46.391 45.100 0.190 0.000 0.771 222 G HN 0.578 nan 8.290 nan 0.000 0.545 223 G N 0.764 109.681 108.800 0.195 0.000 2.418 223 G HA2 -0.132 3.782 3.960 -0.077 0.000 0.217 223 G HA3 -0.132 3.782 3.960 -0.077 0.000 0.217 223 G C 1.804 176.747 174.900 0.072 0.000 1.158 223 G CA 0.645 45.819 45.100 0.122 0.000 0.771 223 G HN 0.411 nan 8.290 nan 0.000 0.545 224 L N 0.760 122.023 121.223 0.067 0.000 2.046 224 L HA -0.098 4.196 4.340 -0.077 0.000 0.208 224 L C 3.173 180.091 176.870 0.080 0.000 1.077 224 L CA 1.350 56.238 54.840 0.080 0.000 0.747 224 L CB -0.252 41.876 42.059 0.117 0.000 0.896 224 L HN 0.197 nan 8.230 nan 0.000 0.432 225 S N -0.942 114.807 115.700 0.081 0.000 2.406 225 S HA -0.116 4.308 4.470 -0.077 0.000 0.228 225 S C 1.989 176.626 174.600 0.061 0.000 1.020 225 S CA 0.768 59.007 58.200 0.066 0.000 0.965 225 S CB -0.063 63.176 63.200 0.065 0.000 0.798 225 S HN 0.151 nan 8.310 nan 0.000 0.488 226 V N 2.351 122.311 119.914 0.077 0.000 2.255 226 V HA -0.170 3.904 4.120 -0.077 0.000 0.247 226 V C 2.569 178.712 176.094 0.081 0.000 1.051 226 V CA 1.636 63.987 62.300 0.085 0.000 1.018 226 V CB -0.512 31.373 31.823 0.104 0.000 0.641 226 V HN 0.437 nan 8.190 nan 0.000 0.445 227 E N 0.209 120.456 120.200 0.079 0.000 2.051 227 E HA -0.199 4.104 4.350 -0.077 0.000 0.192 227 E C 2.380 179.023 176.600 0.072 0.000 0.991 227 E CA 1.479 57.931 56.400 0.086 0.000 0.799 227 E CB -0.532 29.211 29.700 0.072 0.000 0.748 227 E HN 0.569 nan 8.360 nan 0.000 0.449 228 A N 1.434 124.285 122.820 0.052 0.000 1.917 228 A HA -0.165 4.108 4.320 -0.077 0.000 0.219 228 A C 2.342 179.935 177.584 0.014 0.000 1.182 228 A CA 2.056 54.111 52.037 0.030 0.000 0.633 228 A CB -0.607 18.401 19.000 0.014 0.000 0.819 228 A HN 0.211 nan 8.150 nan 0.000 0.448 229 V N -3.303 116.616 119.914 0.008 0.000 3.421 229 V HA 0.424 4.498 4.120 -0.077 0.000 0.316 229 V C 0.536 176.603 176.094 -0.045 0.000 1.347 229 V CA 0.175 62.464 62.300 -0.019 0.000 1.183 229 V CB -1.073 30.735 31.823 -0.024 0.000 1.092 229 V HN 0.486 nan 8.190 nan 0.000 0.433 230 L N 0.212 121.422 121.223 -0.022 0.000 3.634 230 L HA -0.159 4.135 4.340 -0.077 0.000 0.423 230 L C 1.061 177.808 176.870 -0.205 0.000 1.253 230 L CA 0.297 55.068 54.840 -0.115 0.000 0.885 230 L CB -2.101 39.778 42.059 -0.300 0.000 1.789 230 L HN 0.623 nan 8.230 nan 0.000 0.904 231 G N -0.251 108.541 108.800 -0.013 0.000 2.651 231 G HA2 0.390 4.304 3.960 -0.077 0.000 0.260 231 G HA3 0.390 4.304 3.960 -0.077 0.000 0.260 231 G C 0.230 175.196 174.900 0.110 0.000 1.216 231 G CA 0.506 45.620 45.100 0.023 0.000 0.913 231 G HN 0.205 nan 8.290 nan 0.000 0.535 232 S N -1.683 114.085 115.700 0.113 0.000 2.672 232 S HA 0.352 4.776 4.470 -0.077 0.000 0.276 232 S C 1.257 175.995 174.600 0.230 0.000 1.207 232 S CA -0.637 57.657 58.200 0.158 0.000 1.002 232 S CB 1.188 64.440 63.200 0.085 0.000 0.998 232 S HN 0.515 nan 8.310 nan 0.000 0.542 233 R N 1.006 121.649 120.500 0.237 0.000 2.308 233 R HA 0.196 4.490 4.340 -0.077 0.000 0.202 233 R C 2.184 178.672 176.300 0.313 0.000 0.898 233 R CA 0.284 56.596 56.100 0.353 0.000 1.046 233 R CB -0.110 30.313 30.300 0.205 0.000 1.026 233 R HN 0.517 nan 8.270 nan 0.000 0.512 234 S N 1.643 117.429 115.700 0.143 0.000 2.365 234 S HA -0.098 4.326 4.470 -0.077 0.000 0.225 234 S C -0.970 173.613 174.600 -0.029 0.000 1.039 234 S CA 1.414 59.647 58.200 0.055 0.000 1.033 234 S CB -0.751 62.458 63.200 0.015 0.000 0.887 234 S HN 0.214 nan 8.310 nan 0.000 0.447 235 P HA -0.029 nan 4.420 nan 0.000 0.223 235 P C 0.492 177.570 177.300 -0.371 0.000 1.144 235 P CA 0.880 63.747 63.100 -0.388 0.000 0.783 235 P CB -0.129 31.191 31.700 -0.634 0.000 0.771 236 F N -1.628 118.401 119.950 0.132 0.000 2.765 236 F HA 0.103 4.583 4.527 -0.078 0.000 0.302 236 F C 1.129 177.083 175.800 0.256 0.000 1.111 236 F CA -0.533 57.593 58.000 0.210 0.000 1.359 236 F CB -0.619 38.429 39.000 0.081 0.000 1.097 236 F HN -0.124 nan 8.300 nan 0.000 0.577 237 D N 1.236 121.784 120.400 0.247 0.000 2.533 237 D HA -0.034 4.560 4.640 -0.077 0.000 0.236 237 D C 1.449 177.863 176.300 0.190 0.000 1.137 237 D CA 0.532 54.626 54.000 0.158 0.000 0.867 237 D CB 1.366 42.188 40.800 0.037 0.000 1.170 237 D HN 0.265 nan 8.370 nan 0.000 0.474 238 A N 5.617 128.543 122.820 0.178 0.000 1.940 238 A HA -0.233 4.041 4.320 -0.077 0.000 0.219 238 A C 2.183 179.816 177.584 0.082 0.000 1.176 238 A CA 1.359 53.502 52.037 0.177 0.000 0.631 238 A CB -0.180 18.892 19.000 0.119 0.000 0.814 238 A HN 0.739 nan 8.150 nan 0.000 0.446 239 R N -0.500 120.011 120.500 0.017 0.000 2.105 239 R HA -0.129 4.165 4.340 -0.077 0.000 0.239 239 R C 1.919 178.164 176.300 -0.091 0.000 1.135 239 R CA 1.511 57.596 56.100 -0.025 0.000 0.967 239 R CB -0.441 29.844 30.300 -0.025 0.000 0.861 239 R HN 0.484 nan 8.270 nan 0.000 0.442 240 I N 0.437 120.881 120.570 -0.211 0.000 2.127 240 I HA -0.283 3.841 4.170 -0.077 0.000 0.241 240 I C 2.207 178.111 176.117 -0.355 0.000 1.075 240 I CA 1.775 62.852 61.300 -0.372 0.000 1.334 240 I CB -1.480 36.067 38.000 -0.755 0.000 1.040 240 I HN 0.281 nan 8.210 nan 0.000 0.405 241 H N 0.123 119.193 119.070 0.000 0.000 2.423 241 H HA -0.093 4.416 4.556 -0.077 0.000 0.297 241 H C 2.086 177.423 175.328 0.015 0.000 1.075 241 H CA 1.120 57.176 56.048 0.012 0.000 1.342 241 H CB -0.079 29.706 29.762 0.039 0.000 1.395 241 H HN 0.297 nan 8.280 nan 0.000 0.530 242 E N 1.133 121.381 120.200 0.079 0.000 2.150 242 E HA -0.016 4.288 4.350 -0.077 0.000 0.193 242 E C 2.281 178.892 176.600 0.018 0.000 0.985 242 E CA 0.938 57.368 56.400 0.050 0.000 0.814 242 E CB -0.112 29.611 29.700 0.039 0.000 0.752 242 E HN 0.396 nan 8.360 nan 0.000 0.466 243 A N 0.186 123.000 122.820 -0.010 0.000 2.066 243 A HA -0.088 4.186 4.320 -0.077 0.000 0.218 243 A C 2.132 179.707 177.584 -0.014 0.000 1.157 243 A CA 1.121 53.145 52.037 -0.021 0.000 0.670 243 A CB -0.297 18.677 19.000 -0.045 0.000 0.804 243 A HN 0.091 nan 8.150 nan 0.000 0.453 244 R N -1.304 119.194 120.500 -0.005 0.000 2.080 244 R HA 0.071 4.365 4.340 -0.077 0.000 0.222 244 R C 1.574 177.886 176.300 0.021 0.000 1.107 244 R CA 1.134 57.239 56.100 0.008 0.000 0.980 244 R CB -0.196 30.119 30.300 0.025 0.000 0.879 244 R HN 0.695 nan 8.270 nan 0.000 0.439 245 G N 0.381 109.201 108.800 0.033 0.000 2.179 245 G HA2 -0.226 3.688 3.960 -0.077 0.000 0.260 245 G HA3 -0.226 3.688 3.960 -0.077 0.000 0.260 245 G C -0.218 174.703 174.900 0.036 0.000 0.977 245 G CA 0.074 45.193 45.100 0.032 0.000 0.641 245 G HN 0.322 nan 8.290 nan 0.000 0.533 246 Q N -0.059 119.769 119.800 0.046 0.000 2.293 246 Q HA 0.405 4.699 4.340 -0.077 0.000 0.263 246 Q C 1.381 177.410 176.000 0.049 0.000 1.002 246 Q CA -0.012 55.817 55.803 0.043 0.000 0.910 246 Q CB 1.427 30.192 28.738 0.046 0.000 1.185 246 Q HN 0.485 nan 8.270 nan 0.000 0.401 247 R N 3.070 123.591 120.500 0.035 0.000 2.092 247 R HA -0.093 4.201 4.340 -0.077 0.000 0.231 247 R C 1.903 178.221 176.300 0.031 0.000 1.119 247 R CA 1.910 58.029 56.100 0.031 0.000 0.970 247 R CB -0.650 29.660 30.300 0.018 0.000 0.864 247 R HN 0.793 nan 8.270 nan 0.000 0.440 248 G N 0.058 108.876 108.800 0.029 0.000 2.446 248 G HA2 -0.352 3.562 3.960 -0.077 0.000 0.217 248 G HA3 -0.352 3.562 3.960 -0.077 0.000 0.217 248 G C 1.352 176.290 174.900 0.064 0.000 1.168 248 G CA 0.780 45.900 45.100 0.033 0.000 0.771 248 G HN 0.508 nan 8.290 nan 0.000 0.551 249 Q N -0.151 119.688 119.800 0.065 0.000 2.084 249 Q HA -0.048 4.246 4.340 -0.077 0.000 0.202 249 Q C 2.585 178.600 176.000 0.025 0.000 0.978 249 Q CA 1.041 56.879 55.803 0.058 0.000 0.844 249 Q CB -0.213 28.572 28.738 0.079 0.000 0.898 249 Q HN 0.556 nan 8.270 nan 0.000 0.426 250 I N 1.372 121.979 120.570 0.061 0.000 2.127 250 I HA -0.324 3.800 4.170 -0.077 0.000 0.241 250 I C 1.807 177.955 176.117 0.052 0.000 1.075 250 I CA 1.510 62.853 61.300 0.072 0.000 1.334 250 I CB -0.364 37.686 38.000 0.084 0.000 1.040 250 I HN 0.251 nan 8.210 nan 0.000 0.405 251 D N 0.348 120.779 120.400 0.052 0.000 2.123 251 D HA -0.150 4.444 4.640 -0.077 0.000 0.196 251 D C 2.200 178.550 176.300 0.084 0.000 0.992 251 D CA 1.679 55.710 54.000 0.052 0.000 0.833 251 D CB -0.547 40.270 40.800 0.027 0.000 0.954 251 D HN 0.302 nan 8.370 nan 0.000 0.455 252 T N 0.940 115.570 114.554 0.125 0.000 2.652 252 T HA -0.155 4.148 4.350 -0.077 0.000 0.267 252 T C 2.064 176.897 174.700 0.221 0.000 1.039 252 T CA 1.843 64.067 62.100 0.208 0.000 1.153 252 T CB -0.451 68.578 68.868 0.268 0.000 0.863 252 T HN 0.221 nan 8.240 nan 0.000 0.428 253 A N 1.443 124.341 122.820 0.131 0.000 1.940 253 A HA 0.065 4.339 4.320 -0.077 0.000 0.219 253 A C 2.628 180.333 177.584 0.201 0.000 1.176 253 A CA 1.982 54.124 52.037 0.175 0.000 0.631 253 A CB -1.100 17.696 19.000 -0.339 0.000 0.814 253 A HN 0.533 nan 8.150 nan 0.000 0.446 254 A N -1.149 121.739 122.820 0.113 0.000 1.933 254 A HA -0.161 4.113 4.320 -0.077 0.000 0.218 254 A C 2.296 179.905 177.584 0.043 0.000 1.175 254 A CA 1.651 53.738 52.037 0.083 0.000 0.628 254 A CB -1.212 17.825 19.000 0.061 0.000 0.814 254 A HN 0.604 nan 8.150 nan 0.000 0.444 255 C N -1.883 117.423 119.300 0.011 0.000 2.432 255 C HA -0.052 4.362 4.460 -0.077 0.000 0.277 255 C C 2.401 177.274 174.990 -0.195 0.000 1.249 255 C CA 0.829 59.788 59.018 -0.100 0.000 1.725 255 C CB -1.678 25.980 27.740 -0.138 0.000 2.028 255 C HN 0.634 nan 8.230 nan 0.000 0.477 256 F N 1.261 121.137 119.950 -0.122 0.000 2.095 256 F HA -0.129 4.351 4.527 -0.079 0.000 0.298 256 F C 2.645 178.269 175.800 -0.294 0.000 1.104 256 F CA 1.559 59.368 58.000 -0.319 0.000 1.232 256 F CB -0.606 38.011 39.000 -0.640 0.000 0.987 256 F HN 0.164 nan 8.300 nan 0.000 0.475 257 R N -0.008 120.507 120.500 0.026 0.000 2.083 257 R HA -0.207 4.086 4.340 -0.077 0.000 0.237 257 R C 2.114 178.409 176.300 -0.008 0.000 1.137 257 R CA 1.732 57.845 56.100 0.022 0.000 0.951 257 R CB -0.958 29.393 30.300 0.085 0.000 0.851 257 R HN 0.357 nan 8.270 nan 0.000 0.434 258 D N 1.001 121.391 120.400 -0.016 0.000 2.092 258 D HA -0.178 4.416 4.640 -0.077 0.000 0.193 258 D C 1.943 178.216 176.300 -0.046 0.000 0.994 258 D CA 1.241 55.225 54.000 -0.027 0.000 0.828 258 D CB 0.090 40.871 40.800 -0.031 0.000 0.963 258 D HN 0.172 nan 8.370 nan 0.000 0.450 259 L N 0.140 121.315 121.223 -0.080 0.000 2.109 259 L HA -0.107 4.187 4.340 -0.077 0.000 0.207 259 L C 2.773 179.607 176.870 -0.060 0.000 1.086 259 L CA 0.494 55.284 54.840 -0.084 0.000 0.760 259 L CB -0.241 41.737 42.059 -0.135 0.000 0.910 259 L HN 0.126 nan 8.230 nan 0.000 0.437 260 L N -0.961 120.222 121.223 -0.066 0.000 2.162 260 L HA 0.133 4.427 4.340 -0.077 0.000 0.205 260 L C 1.189 178.044 176.870 -0.025 0.000 1.086 260 L CA 0.609 55.418 54.840 -0.051 0.000 0.778 260 L CB -0.431 41.571 42.059 -0.096 0.000 0.928 260 L HN 0.414 nan 8.230 nan 0.000 0.446 261 G N -0.221 108.569 108.800 -0.018 0.000 2.796 261 G HA2 -0.257 3.657 3.960 -0.077 0.000 0.571 261 G HA3 -0.257 3.657 3.960 -0.077 0.000 0.571 261 G C -0.166 174.740 174.900 0.011 0.000 1.370 261 G CA -0.127 44.972 45.100 -0.002 0.000 0.856 261 G HN 0.115 nan 8.290 nan 0.000 0.538 262 D N -0.057 120.353 120.400 0.016 0.000 2.144 262 D HA 0.149 4.743 4.640 -0.077 0.000 0.199 262 D C 1.777 178.088 176.300 0.017 0.000 0.984 262 D CA 2.380 56.394 54.000 0.023 0.000 0.834 262 D CB -0.017 40.795 40.800 0.019 0.000 0.955 262 D HN 1.270 nan 8.370 nan 0.000 0.465 263 S N -2.086 113.616 115.700 0.004 0.000 2.636 263 S HA 0.579 5.003 4.470 -0.077 0.000 0.266 263 S C -0.860 173.731 174.600 -0.014 0.000 1.147 263 S CA -0.737 57.457 58.200 -0.010 0.000 0.815 263 S CB 2.011 65.197 63.200 -0.023 0.000 1.119 263 S HN 0.103 nan 8.310 nan 0.000 0.470 264 S N -0.743 114.942 115.700 -0.025 0.000 2.638 264 S HA 0.557 4.981 4.470 -0.077 0.000 0.274 264 S C 0.676 175.258 174.600 -0.030 0.000 1.157 264 S CA -0.096 58.093 58.200 -0.018 0.000 0.826 264 S CB 1.391 64.588 63.200 -0.004 0.000 1.139 264 S HN 1.053 nan 8.310 nan 0.000 0.474 265 E N 0.464 120.654 120.200 -0.017 0.000 2.065 265 E HA -0.186 4.117 4.350 -0.077 0.000 0.201 265 E C 1.602 178.187 176.600 -0.025 0.000 1.016 265 E CA 2.262 58.651 56.400 -0.019 0.000 0.818 265 E CB -0.510 29.187 29.700 -0.006 0.000 0.749 265 E HN 0.498 nan 8.360 nan 0.000 0.453 266 V N 1.255 121.165 119.914 -0.007 0.000 2.252 266 V HA -0.345 3.729 4.120 -0.077 0.000 0.249 266 V C 2.738 178.811 176.094 -0.036 0.000 1.056 266 V CA 2.320 64.627 62.300 0.012 0.000 1.022 266 V CB -0.994 30.857 31.823 0.046 0.000 0.641 266 V HN 0.560 nan 8.190 nan 0.000 0.445 267 S N -0.410 115.228 115.700 -0.104 0.000 2.402 267 S HA -0.114 4.310 4.470 -0.077 0.000 0.229 267 S C 1.963 176.250 174.600 -0.521 0.000 1.021 267 S CA 1.441 59.419 58.200 -0.371 0.000 0.974 267 S CB -0.579 62.525 63.200 -0.161 0.000 0.800 267 S HN 0.517 nan 8.310 nan 0.000 0.484 268 L N 2.149 123.231 121.223 -0.234 0.000 2.201 268 L HA -0.024 4.270 4.340 -0.077 0.000 0.212 268 L C 2.874 179.661 176.870 -0.139 0.000 1.105 268 L CA 1.281 56.024 54.840 -0.162 0.000 0.775 268 L CB -0.619 41.391 42.059 -0.082 0.000 0.913 268 L HN 0.625 nan 8.230 nan 0.000 0.440 269 S N -0.871 114.757 115.700 -0.119 0.000 2.607 269 S HA -0.129 4.295 4.470 -0.077 0.000 0.224 269 S C 0.709 175.325 174.600 0.025 0.000 0.969 269 S CA -0.074 58.106 58.200 -0.033 0.000 0.927 269 S CB -0.707 62.497 63.200 0.007 0.000 0.772 269 S HN 0.664 nan 8.310 nan 0.000 0.533 270 H N 0.744 119.822 119.070 0.013 0.000 2.486 270 H HA 0.509 5.018 4.556 -0.077 0.000 0.239 270 H C 1.237 176.572 175.328 0.013 0.000 1.480 270 H CA -0.903 55.152 56.048 0.013 0.000 1.324 270 H CB 0.396 30.167 29.762 0.014 0.000 1.486 270 H HN 0.062 nan 8.280 nan 0.000 0.544 271 K N 1.325 121.772 120.400 0.079 0.000 2.017 271 K HA -0.358 3.916 4.320 -0.077 0.000 0.229 271 K C 0.166 176.805 176.600 0.064 0.000 1.004 271 K CA 1.926 58.242 56.287 0.048 0.000 0.991 271 K CB -0.759 31.766 32.500 0.043 0.000 0.773 271 K HN 0.503 nan 8.250 nan 0.000 0.453 272 N N 1.120 119.869 118.700 0.082 0.000 2.678 272 N HA 0.320 5.013 4.740 -0.077 0.000 0.231 272 N C 0.220 175.801 175.510 0.117 0.000 1.038 272 N CA 0.414 53.511 53.050 0.079 0.000 0.932 272 N CB 1.326 39.842 38.487 0.047 0.000 1.176 272 N HN 0.390 nan 8.380 nan 0.000 0.511 273 A N 2.947 125.880 122.820 0.188 0.000 1.898 273 A HA -0.105 4.169 4.320 -0.077 0.000 0.216 273 A C 1.423 179.050 177.584 0.072 0.000 1.181 273 A CA 1.312 53.491 52.037 0.237 0.000 0.620 273 A CB -0.236 18.992 19.000 0.379 0.000 0.819 273 A HN 0.650 nan 8.150 nan 0.000 0.442 274 D N 0.214 120.652 120.400 0.065 0.000 2.158 274 D HA -0.215 4.379 4.640 -0.077 0.000 0.197 274 D C 1.570 177.878 176.300 0.014 0.000 0.995 274 D CA 1.456 55.476 54.000 0.033 0.000 0.846 274 D CB -0.472 40.346 40.800 0.029 0.000 0.941 274 D HN 0.529 nan 8.370 nan 0.000 0.456 275 K N -0.366 120.042 120.400 0.013 0.000 2.128 275 K HA -0.204 4.070 4.320 -0.077 0.000 0.220 275 K C 0.601 177.197 176.600 -0.006 0.000 1.049 275 K CA 1.332 57.620 56.287 0.002 0.000 0.948 275 K CB -0.042 32.458 32.500 0.001 0.000 0.742 275 K HN 0.067 nan 8.250 nan 0.000 0.465 276 V N 0.190 120.095 119.914 -0.016 0.000 2.864 276 V HA 0.178 4.252 4.120 -0.077 0.000 0.314 276 V C -1.046 175.040 176.094 -0.013 0.000 1.073 276 V CA -1.019 61.272 62.300 -0.016 0.000 0.956 276 V CB 1.981 33.791 31.823 -0.022 0.000 1.023 276 V HN 0.181 nan 8.190 nan 0.000 0.435 277 Q N 2.399 122.196 119.800 -0.005 0.000 2.352 277 Q HA 0.263 4.557 4.340 -0.077 0.000 0.260 277 Q C -0.837 175.167 176.000 0.006 0.000 0.976 277 Q CA -0.086 55.720 55.803 0.005 0.000 0.881 277 Q CB 0.779 29.530 28.738 0.021 0.000 1.235 277 Q HN 0.620 nan 8.270 nan 0.000 0.419 278 D N 3.354 123.760 120.400 0.010 0.000 2.304 278 D HA 0.255 4.849 4.640 -0.077 0.000 0.250 278 D C -2.093 174.242 176.300 0.059 0.000 1.107 278 D CA -1.381 52.628 54.000 0.015 0.000 0.885 278 D CB 0.640 41.443 40.800 0.004 0.000 1.192 278 D HN 0.174 nan 8.370 nan 0.000 0.436 279 P HA -0.022 nan 4.420 nan 0.000 0.270 279 P C 0.711 178.122 177.300 0.186 0.000 1.223 279 P CA -0.187 62.951 63.100 0.064 0.000 0.785 279 P CB 0.400 32.096 31.700 -0.007 0.000 0.923 280 Y N -0.044 120.235 120.300 -0.035 0.000 2.403 280 Y HA -0.149 4.354 4.550 -0.079 0.000 0.291 280 Y C 2.433 178.312 175.900 -0.034 0.000 1.143 280 Y CA 1.292 59.368 58.100 -0.040 0.000 1.257 280 Y CB -1.893 36.551 38.460 -0.027 0.000 0.984 280 Y HN 0.348 nan 8.280 nan 0.000 0.550 281 S N -0.667 115.115 115.700 0.138 0.000 2.442 281 S HA -0.106 4.318 4.470 -0.077 0.000 0.236 281 S C 1.709 176.340 174.600 0.051 0.000 1.007 281 S CA 1.195 59.442 58.200 0.079 0.000 0.965 281 S CB -0.690 62.544 63.200 0.058 0.000 0.773 281 S HN 0.468 nan 8.310 nan 0.000 0.504 282 L N -0.200 121.045 121.223 0.036 0.000 2.435 282 L HA 0.374 4.668 4.340 -0.077 0.000 0.195 282 L C 2.821 179.635 176.870 -0.094 0.000 1.072 282 L CA 0.287 55.131 54.840 0.007 0.000 0.833 282 L CB -0.457 41.620 42.059 0.030 0.000 1.081 282 L HN 0.137 nan 8.230 nan 0.000 0.485 283 R N 0.110 120.551 120.500 -0.099 0.000 2.115 283 R HA -0.064 4.230 4.340 -0.077 0.000 0.230 283 R C 1.554 177.684 176.300 -0.283 0.000 1.111 283 R CA 1.273 57.241 56.100 -0.220 0.000 0.976 283 R CB -0.122 30.110 30.300 -0.113 0.000 0.870 283 R HN 0.361 nan 8.270 nan 0.000 0.445 284 C N 0.640 119.829 119.300 -0.186 0.000 2.614 284 C HA 0.214 4.628 4.460 -0.077 0.000 0.299 284 C C 1.757 176.684 174.990 -0.105 0.000 1.293 284 C CA -0.494 58.423 59.018 -0.169 0.000 1.713 284 C CB -0.591 27.055 27.740 -0.158 0.000 1.890 284 C HN 0.576 nan 8.230 nan 0.000 0.602 285 Q N 1.847 121.560 119.800 -0.144 0.000 2.096 285 Q HA -0.158 4.136 4.340 -0.077 0.000 0.204 285 Q C -0.524 175.498 176.000 0.036 0.000 0.982 285 Q CA 1.867 57.633 55.803 -0.062 0.000 0.850 285 Q CB -0.558 28.064 28.738 -0.193 0.000 0.901 285 Q HN 0.495 nan 8.270 nan 0.000 0.422 286 P HA -0.133 nan 4.420 nan 0.000 0.218 286 P C 0.631 177.955 177.300 0.039 0.000 1.149 286 P CA 1.253 64.365 63.100 0.020 0.000 0.817 286 P CB 0.138 31.682 31.700 -0.260 0.000 0.785 287 Q N -1.157 118.656 119.800 0.022 0.000 2.123 287 Q HA -0.019 4.275 4.340 -0.077 0.000 0.196 287 Q C 2.145 178.175 176.000 0.049 0.000 0.958 287 Q CA 0.978 56.802 55.803 0.034 0.000 0.841 287 Q CB -1.178 27.558 28.738 -0.004 0.000 0.915 287 Q HN 0.054 nan 8.270 nan 0.000 0.455 288 V N 0.081 120.026 119.914 0.050 0.000 2.273 288 V HA -0.183 3.891 4.120 -0.077 0.000 0.242 288 V C 1.992 178.150 176.094 0.107 0.000 1.035 288 V CA 1.363 63.704 62.300 0.068 0.000 1.013 288 V CB -0.383 31.477 31.823 0.063 0.000 0.652 288 V HN 0.404 nan 8.190 nan 0.000 0.452 289 M N 0.389 120.071 119.600 0.137 0.000 2.213 289 M HA -0.080 4.354 4.480 -0.077 0.000 0.263 289 M C 2.263 178.723 176.300 0.267 0.000 1.062 289 M CA 1.873 57.289 55.300 0.194 0.000 1.105 289 M CB -1.680 31.018 32.600 0.164 0.000 1.385 289 M HN 0.474 nan 8.290 nan 0.000 0.417 290 G N 0.198 109.114 108.800 0.194 0.000 2.421 290 G HA2 -0.094 3.820 3.960 -0.077 0.000 0.216 290 G HA3 -0.094 3.820 3.960 -0.077 0.000 0.216 290 G C 1.682 176.650 174.900 0.112 0.000 1.171 290 G CA 1.189 46.381 45.100 0.153 0.000 0.775 290 G HN 0.532 nan 8.290 nan 0.000 0.543 291 A N 0.016 122.892 122.820 0.094 0.000 1.902 291 A HA -0.094 4.179 4.320 -0.077 0.000 0.217 291 A C 2.585 180.214 177.584 0.074 0.000 1.181 291 A CA 1.851 53.929 52.037 0.069 0.000 0.623 291 A CB -1.009 18.026 19.000 0.058 0.000 0.818 291 A HN 0.437 nan 8.150 nan 0.000 0.443 292 C N -1.254 118.112 119.300 0.110 0.000 2.429 292 C HA -0.072 4.342 4.460 -0.077 0.000 0.277 292 C C 2.512 177.557 174.990 0.092 0.000 1.262 292 C CA 1.083 60.174 59.018 0.121 0.000 1.733 292 C CB -1.439 26.411 27.740 0.183 0.000 2.010 292 C HN 0.681 nan 8.230 nan 0.000 0.483 293 L N 1.197 122.475 121.223 0.091 0.000 2.017 293 L HA -0.117 4.177 4.340 -0.077 0.000 0.208 293 L C 2.484 179.317 176.870 -0.062 0.000 1.073 293 L CA 2.220 57.012 54.840 -0.080 0.000 0.745 293 L CB -1.416 40.566 42.059 -0.127 0.000 0.894 293 L HN 0.271 nan 8.230 nan 0.000 0.432 294 T N -0.609 113.939 114.554 -0.010 0.000 2.708 294 T HA -0.185 4.119 4.350 -0.077 0.000 0.266 294 T C 1.847 176.542 174.700 -0.009 0.000 1.037 294 T CA 1.464 63.559 62.100 -0.009 0.000 1.146 294 T CB -0.164 68.710 68.868 0.011 0.000 0.865 294 T HN 0.371 nan 8.240 nan 0.000 0.435 295 Q N 0.841 120.644 119.800 0.005 0.000 2.061 295 Q HA -0.105 4.189 4.340 -0.077 0.000 0.204 295 Q C 2.533 178.528 176.000 -0.007 0.000 0.984 295 Q CA 1.269 57.075 55.803 0.005 0.000 0.846 295 Q CB -0.749 28.001 28.738 0.020 0.000 0.902 295 Q HN 0.610 nan 8.270 nan 0.000 0.421 296 L N -1.368 119.847 121.223 -0.014 0.000 2.217 296 L HA 0.030 4.324 4.340 -0.077 0.000 0.211 296 L C 2.038 178.882 176.870 -0.044 0.000 1.107 296 L CA 1.372 56.196 54.840 -0.028 0.000 0.783 296 L CB -0.523 41.521 42.059 -0.025 0.000 0.919 296 L HN -0.087 nan 8.230 nan 0.000 0.442 297 R N -0.205 120.265 120.500 -0.050 0.000 2.073 297 R HA -0.038 4.256 4.340 -0.077 0.000 0.229 297 R C 2.368 178.650 176.300 -0.030 0.000 1.120 297 R CA 1.587 57.659 56.100 -0.045 0.000 0.967 297 R CB -0.412 29.858 30.300 -0.049 0.000 0.862 297 R HN 0.553 nan 8.270 nan 0.000 0.436 298 Q N 0.080 119.866 119.800 -0.024 0.000 2.050 298 Q HA -0.109 4.184 4.340 -0.077 0.000 0.202 298 Q C 2.242 178.229 176.000 -0.022 0.000 0.980 298 Q CA 1.602 57.394 55.803 -0.019 0.000 0.840 298 Q CB -0.137 28.593 28.738 -0.013 0.000 0.898 298 Q HN 0.359 nan 8.270 nan 0.000 0.424 299 A N 1.159 123.964 122.820 -0.025 0.000 1.877 299 A HA -0.155 4.118 4.320 -0.077 0.000 0.216 299 A C 2.323 179.882 177.584 -0.042 0.000 1.186 299 A CA 1.650 53.668 52.037 -0.032 0.000 0.620 299 A CB -0.920 18.060 19.000 -0.033 0.000 0.822 299 A HN 0.411 nan 8.150 nan 0.000 0.443 300 A N -0.481 122.313 122.820 -0.043 0.000 1.908 300 A HA -0.242 4.031 4.320 -0.077 0.000 0.218 300 A C 2.023 179.591 177.584 -0.026 0.000 1.181 300 A CA 1.957 53.970 52.037 -0.041 0.000 0.627 300 A CB -0.601 18.384 19.000 -0.026 0.000 0.818 300 A HN 0.675 nan 8.150 nan 0.000 0.445 301 E N -0.489 119.699 120.200 -0.021 0.000 2.077 301 E HA -0.135 4.169 4.350 -0.077 0.000 0.193 301 E C 1.899 178.490 176.600 -0.015 0.000 0.989 301 E CA 1.418 57.809 56.400 -0.014 0.000 0.800 301 E CB -0.090 29.602 29.700 -0.014 0.000 0.746 301 E HN 0.376 nan 8.360 nan 0.000 0.452 302 V N 0.997 120.899 119.914 -0.020 0.000 2.379 302 V HA -0.223 3.850 4.120 -0.077 0.000 0.245 302 V C 2.313 178.394 176.094 -0.021 0.000 1.044 302 V CA 1.269 63.558 62.300 -0.019 0.000 1.036 302 V CB -0.307 31.504 31.823 -0.020 0.000 0.664 302 V HN 0.323 nan 8.190 nan 0.000 0.453 303 L N 0.280 121.484 121.223 -0.032 0.000 2.156 303 L HA 0.006 4.300 4.340 -0.077 0.000 0.208 303 L C 2.589 179.443 176.870 -0.025 0.000 1.095 303 L CA 1.411 56.226 54.840 -0.041 0.000 0.770 303 L CB -1.011 40.999 42.059 -0.082 0.000 0.914 303 L HN 0.465 nan 8.230 nan 0.000 0.439 304 G N 0.320 109.112 108.800 -0.013 0.000 2.408 304 G HA2 -0.194 3.720 3.960 -0.077 0.000 0.217 304 G HA3 -0.194 3.720 3.960 -0.077 0.000 0.217 304 G C 1.591 176.497 174.900 0.012 0.000 1.150 304 G CA 0.484 45.589 45.100 0.009 0.000 0.776 304 G HN 0.243 nan 8.290 nan 0.000 0.542 305 I N 0.039 120.611 120.570 0.002 0.000 2.353 305 I HA -0.027 4.097 4.170 -0.077 0.000 0.248 305 I C 2.628 178.748 176.117 0.004 0.000 1.119 305 I CA 0.887 62.190 61.300 0.003 0.000 1.417 305 I CB 0.037 38.035 38.000 -0.003 0.000 1.078 305 I HN 0.085 nan 8.210 nan 0.000 0.421 306 E N 1.204 121.404 120.200 -0.000 0.000 2.110 306 E HA -0.207 4.097 4.350 -0.077 0.000 0.193 306 E C 2.173 178.781 176.600 0.014 0.000 0.988 306 E CA 1.494 57.896 56.400 0.003 0.000 0.804 306 E CB -0.242 29.456 29.700 -0.003 0.000 0.745 306 E HN 0.429 nan 8.360 nan 0.000 0.458 307 A N 0.595 123.425 122.820 0.018 0.000 1.986 307 A HA -0.193 4.081 4.320 -0.077 0.000 0.220 307 A C 1.763 179.371 177.584 0.040 0.000 1.171 307 A CA 1.803 53.859 52.037 0.033 0.000 0.640 307 A CB -0.428 18.597 19.000 0.042 0.000 0.811 307 A HN 0.231 nan 8.150 nan 0.000 0.451 308 N N -0.421 118.300 118.700 0.035 0.000 2.280 308 N HA 0.254 4.948 4.740 -0.077 0.000 0.192 308 N C 0.335 175.867 175.510 0.037 0.000 1.109 308 N CA 0.679 53.753 53.050 0.041 0.000 0.855 308 N CB 0.103 38.613 38.487 0.039 0.000 0.974 308 N HN 0.454 nan 8.380 nan 0.000 0.482 309 A N 0.650 123.485 122.820 0.025 0.000 2.407 309 A HA 0.317 4.591 4.320 -0.077 0.000 0.248 309 A C 0.374 177.969 177.584 0.017 0.000 1.082 309 A CA -0.231 51.812 52.037 0.009 0.000 0.785 309 A CB 0.643 19.643 19.000 0.001 0.000 1.020 309 A HN -0.010 nan 8.150 nan 0.000 0.489 310 V N 3.140 123.048 119.914 -0.011 0.000 2.356 310 V HA 0.163 4.236 4.120 -0.077 0.000 0.258 310 V C 1.037 177.132 176.094 0.001 0.000 1.065 310 V CA 0.891 63.193 62.300 0.004 0.000 0.935 310 V CB 0.439 32.226 31.823 -0.059 0.000 1.061 310 V HN 1.060 nan 8.190 nan 0.000 0.484 311 S N 1.599 117.320 115.700 0.035 0.000 2.539 311 S HA 0.115 4.538 4.470 -0.077 0.000 0.221 311 S C 0.474 175.136 174.600 0.103 0.000 0.987 311 S CA -0.548 57.681 58.200 0.049 0.000 0.929 311 S CB -0.031 63.204 63.200 0.058 0.000 0.832 311 S HN 0.822 nan 8.310 nan 0.000 0.492 312 D N 1.797 122.261 120.400 0.107 0.000 2.469 312 D HA 0.422 5.016 4.640 -0.077 0.000 0.278 312 D C -0.294 176.125 176.300 0.198 0.000 1.231 312 D CA -0.532 53.565 54.000 0.161 0.000 1.075 312 D CB 0.150 41.018 40.800 0.113 0.000 1.121 312 D HN 0.202 nan 8.370 nan 0.000 0.571 313 N N -1.541 117.297 118.700 0.230 0.000 2.504 313 N HA 0.340 5.034 4.740 -0.077 0.000 0.268 313 N C -2.955 172.675 175.510 0.200 0.000 1.184 313 N CA -1.239 51.965 53.050 0.257 0.000 0.875 313 N CB 2.164 40.953 38.487 0.503 0.000 1.630 313 N HN 0.079 nan 8.380 nan 0.000 0.486 314 P HA 0.237 nan 4.420 nan 0.000 0.273 314 P C -0.820 176.526 177.300 0.077 0.000 1.250 314 P CA -0.190 63.016 63.100 0.175 0.000 0.793 314 P CB 0.837 32.655 31.700 0.196 0.000 1.011 315 L N 0.091 121.334 121.223 0.034 0.000 2.322 315 L HA 0.473 4.767 4.340 -0.077 0.000 0.279 315 L C -0.041 176.613 176.870 -0.359 0.000 1.036 315 L CA -1.298 53.439 54.840 -0.172 0.000 0.807 315 L CB 1.626 43.529 42.059 -0.261 0.000 1.226 315 L HN 0.048 nan 8.230 nan 0.000 0.433 316 V N 2.573 122.230 119.914 -0.429 0.000 2.347 316 V HA 0.286 4.360 4.120 -0.077 0.000 0.280 316 V C -0.568 175.212 176.094 -0.523 0.000 1.021 316 V CA -0.217 61.878 62.300 -0.341 0.000 0.847 316 V CB 0.817 32.552 31.823 -0.147 0.000 0.990 316 V HN 0.397 nan 8.190 nan 0.000 0.444 317 F N 3.400 123.438 119.950 0.146 0.000 2.318 317 F HA 0.517 4.998 4.527 -0.078 0.000 0.356 317 F C 1.338 177.174 175.800 0.059 0.000 1.109 317 F CA -0.482 57.605 58.000 0.146 0.000 1.234 317 F CB 0.849 39.945 39.000 0.160 0.000 1.545 317 F HN 0.567 nan 8.300 nan 0.000 0.534 318 A N 2.110 124.975 122.820 0.076 0.000 1.978 318 A HA -0.077 4.197 4.320 -0.077 0.000 0.220 318 A C 2.417 180.035 177.584 0.056 0.000 1.170 318 A CA 1.758 53.817 52.037 0.036 0.000 0.636 318 A CB -0.658 18.324 19.000 -0.031 0.000 0.810 318 A HN 0.682 nan 8.150 nan 0.000 0.448 319 A N -0.416 122.450 122.820 0.076 0.000 1.978 319 A HA -0.152 4.122 4.320 -0.077 0.000 0.220 319 A C 1.820 179.449 177.584 0.074 0.000 1.170 319 A CA 2.037 54.114 52.037 0.067 0.000 0.636 319 A CB -0.299 18.747 19.000 0.077 0.000 0.810 319 A HN 0.518 nan 8.150 nan 0.000 0.448 320 E N -2.490 117.775 120.200 0.110 0.000 2.460 320 E HA 0.345 4.648 4.350 -0.077 0.000 0.200 320 E C 1.202 177.854 176.600 0.086 0.000 1.011 320 E CA 0.705 57.157 56.400 0.087 0.000 0.912 320 E CB 0.337 30.089 29.700 0.086 0.000 0.953 320 E HN 0.714 nan 8.360 nan 0.000 0.494 321 G N 0.885 109.745 108.800 0.099 0.000 2.176 321 G HA2 -0.234 3.680 3.960 -0.077 0.000 0.253 321 G HA3 -0.234 3.680 3.960 -0.077 0.000 0.253 321 G C -0.332 174.629 174.900 0.101 0.000 0.979 321 G CA 0.160 45.307 45.100 0.080 0.000 0.641 321 G HN 0.206 nan 8.290 nan 0.000 0.530 322 D N 0.116 120.610 120.400 0.156 0.000 2.304 322 D HA 0.527 5.121 4.640 -0.077 0.000 0.250 322 D C 0.178 176.620 176.300 0.237 0.000 1.107 322 D CA 0.002 54.117 54.000 0.191 0.000 0.885 322 D CB 1.949 42.885 40.800 0.227 0.000 1.192 322 D HN 0.120 nan 8.370 nan 0.000 0.436 323 V N 3.866 123.890 119.914 0.182 0.000 2.376 323 V HA 0.391 4.465 4.120 -0.077 0.000 0.287 323 V C 0.134 176.348 176.094 0.201 0.000 1.015 323 V CA -0.606 61.785 62.300 0.151 0.000 0.834 323 V CB 1.084 32.959 31.823 0.087 0.000 1.001 323 V HN 0.360 nan 8.190 nan 0.000 0.428 324 I N 3.225 123.957 120.570 0.270 0.000 2.474 324 I HA 0.409 4.533 4.170 -0.077 0.000 0.294 324 I C 0.293 176.549 176.117 0.232 0.000 1.005 324 I CA -0.304 61.151 61.300 0.259 0.000 1.113 324 I CB 2.247 40.432 38.000 0.309 0.000 1.289 324 I HN 0.554 nan 8.210 nan 0.000 0.436 325 S N 4.040 119.863 115.700 0.205 0.000 2.439 325 S HA 0.707 5.131 4.470 -0.077 0.000 0.282 325 S C 0.070 174.760 174.600 0.151 0.000 1.170 325 S CA -0.206 58.125 58.200 0.218 0.000 1.054 325 S CB 0.269 63.596 63.200 0.213 0.000 0.956 325 S HN 0.827 nan 8.310 nan 0.000 0.490 326 G N 2.477 111.361 108.800 0.140 0.000 3.252 326 G HA2 0.636 4.550 3.960 -0.077 0.000 0.181 326 G HA3 0.636 4.550 3.960 -0.077 0.000 0.181 326 G C 0.160 175.012 174.900 -0.080 0.000 1.187 326 G CA -0.270 44.852 45.100 0.036 0.000 0.886 326 G HN 1.008 nan 8.290 nan 0.000 0.615 327 G N -0.334 108.283 108.800 -0.306 0.000 4.773 327 G HA2 0.211 4.125 3.960 -0.077 0.000 0.269 327 G HA3 0.211 4.125 3.960 -0.077 0.000 0.269 327 G C 0.357 174.718 174.900 -0.897 0.000 0.992 327 G CA -0.114 44.462 45.100 -0.873 0.000 0.775 327 G HN 0.268 nan 8.290 nan 0.000 0.471 328 N N 1.022 119.392 118.700 -0.550 0.000 2.430 328 N HA -0.099 4.595 4.740 -0.077 0.000 0.186 328 N C 1.743 177.119 175.510 -0.223 0.000 1.032 328 N CA 0.724 53.602 53.050 -0.286 0.000 0.893 328 N CB -0.327 38.082 38.487 -0.130 0.000 0.957 328 N HN 0.626 nan 8.380 nan 0.000 0.442 329 F N -0.648 119.344 119.950 0.071 0.000 2.604 329 F HA 0.084 4.564 4.527 -0.079 0.000 0.298 329 F C 1.004 176.833 175.800 0.049 0.000 1.131 329 F CA -0.069 57.959 58.000 0.046 0.000 1.457 329 F CB -1.245 37.773 39.000 0.029 0.000 1.095 329 F HN -0.000 nan 8.300 nan 0.000 0.574 330 H N 1.876 120.966 119.070 0.034 0.000 3.017 330 H HA 0.460 4.969 4.556 -0.079 0.000 0.276 330 H C 0.533 175.890 175.328 0.049 0.000 1.062 330 H CA -0.254 55.869 56.048 0.125 0.000 1.486 330 H CB 1.237 31.029 29.762 0.049 0.000 1.507 330 H HN 0.253 nan 8.280 nan 0.000 0.508 331 A N 4.476 127.447 122.820 0.252 0.000 2.411 331 A HA 0.020 4.294 4.320 -0.077 0.000 0.251 331 A C 1.994 179.683 177.584 0.175 0.000 1.317 331 A CA 0.140 52.267 52.037 0.151 0.000 0.904 331 A CB -0.303 18.722 19.000 0.042 0.000 0.993 331 A HN 0.813 nan 8.150 nan 0.000 0.504 332 E N 1.738 122.130 120.200 0.321 0.000 2.086 332 E HA -0.210 4.094 4.350 -0.077 0.000 0.205 332 E C -0.511 176.130 176.600 0.069 0.000 1.027 332 E CA 2.716 59.220 56.400 0.173 0.000 0.830 332 E CB -0.585 29.141 29.700 0.043 0.000 0.751 332 E HN 0.514 nan 8.360 nan 0.000 0.456 333 P HA -0.130 nan 4.420 nan 0.000 0.218 333 P C 1.376 178.681 177.300 0.008 0.000 1.149 333 P CA 1.211 64.316 63.100 0.008 0.000 0.817 333 P CB 0.022 31.719 31.700 -0.006 0.000 0.785 334 V N 0.829 120.751 119.914 0.014 0.000 2.427 334 V HA -0.179 3.895 4.120 -0.077 0.000 0.248 334 V C 2.886 178.978 176.094 -0.002 0.000 1.051 334 V CA 2.023 64.322 62.300 -0.002 0.000 1.048 334 V CB -1.760 30.058 31.823 -0.007 0.000 0.666 334 V HN 0.102 nan 8.190 nan 0.000 0.456 335 A N -0.523 122.305 122.820 0.014 0.000 1.933 335 A HA -0.194 4.080 4.320 -0.077 0.000 0.218 335 A C 2.252 179.845 177.584 0.015 0.000 1.175 335 A CA 2.112 54.158 52.037 0.015 0.000 0.628 335 A CB -0.427 18.598 19.000 0.041 0.000 0.814 335 A HN 0.489 nan 8.150 nan 0.000 0.444 336 M N -0.831 118.778 119.600 0.015 0.000 2.156 336 M HA -0.044 4.389 4.480 -0.077 0.000 0.264 336 M C 2.570 178.868 176.300 -0.003 0.000 1.067 336 M CA 1.178 56.481 55.300 0.005 0.000 1.131 336 M CB -0.349 32.252 32.600 0.003 0.000 1.368 336 M HN 0.459 nan 8.290 nan 0.000 0.416 337 A N 0.658 123.473 122.820 -0.008 0.000 1.892 337 A HA -0.180 4.093 4.320 -0.077 0.000 0.218 337 A C 2.345 179.919 177.584 -0.017 0.000 1.188 337 A CA 2.247 54.274 52.037 -0.017 0.000 0.631 337 A CB -1.112 17.873 19.000 -0.025 0.000 0.822 337 A HN 0.515 nan 8.150 nan 0.000 0.447 338 A N -0.311 122.499 122.820 -0.016 0.000 1.902 338 A HA -0.190 4.084 4.320 -0.077 0.000 0.217 338 A C 1.777 179.361 177.584 -0.001 0.000 1.181 338 A CA 1.918 53.946 52.037 -0.015 0.000 0.623 338 A CB -0.598 18.386 19.000 -0.026 0.000 0.818 338 A HN 0.472 nan 8.150 nan 0.000 0.443 339 D N 0.071 120.474 120.400 0.005 0.000 2.178 339 D HA -0.104 4.489 4.640 -0.077 0.000 0.202 339 D C 1.513 177.815 176.300 0.003 0.000 0.974 339 D CA 0.938 54.943 54.000 0.008 0.000 0.841 339 D CB -0.352 40.447 40.800 -0.003 0.000 0.953 339 D HN 0.379 nan 8.370 nan 0.000 0.478 340 N N 0.471 119.171 118.700 -0.000 0.000 2.120 340 N HA -0.081 4.613 4.740 -0.077 0.000 0.188 340 N C 2.013 177.530 175.510 0.011 0.000 1.024 340 N CA 0.421 53.472 53.050 0.002 0.000 0.852 340 N CB -0.402 38.083 38.487 -0.003 0.000 1.003 340 N HN 0.256 nan 8.380 nan 0.000 0.424 341 L N 0.495 121.723 121.223 0.009 0.000 2.201 341 L HA -0.009 4.285 4.340 -0.077 0.000 0.212 341 L C 2.305 179.199 176.870 0.039 0.000 1.105 341 L CA 0.667 55.520 54.840 0.021 0.000 0.775 341 L CB -0.384 41.681 42.059 0.010 0.000 0.913 341 L HN 0.103 nan 8.230 nan 0.000 0.440 342 A N 0.360 123.201 122.820 0.035 0.000 1.908 342 A HA -0.178 4.096 4.320 -0.077 0.000 0.218 342 A C 2.237 179.850 177.584 0.048 0.000 1.181 342 A CA 1.421 53.486 52.037 0.046 0.000 0.627 342 A CB -0.632 18.393 19.000 0.041 0.000 0.818 342 A HN 0.362 nan 8.150 nan 0.000 0.445 343 L N -0.938 120.307 121.223 0.038 0.000 2.017 343 L HA -0.214 4.079 4.340 -0.077 0.000 0.208 343 L C 3.115 180.017 176.870 0.053 0.000 1.073 343 L CA 1.248 56.112 54.840 0.039 0.000 0.745 343 L CB -0.745 41.331 42.059 0.028 0.000 0.894 343 L HN 0.450 nan 8.230 nan 0.000 0.432 344 A N 0.324 123.179 122.820 0.057 0.000 1.898 344 A HA -0.149 4.125 4.320 -0.077 0.000 0.216 344 A C 2.209 179.847 177.584 0.090 0.000 1.181 344 A CA 1.413 53.495 52.037 0.076 0.000 0.620 344 A CB -0.606 18.437 19.000 0.072 0.000 0.819 344 A HN 0.335 nan 8.150 nan 0.000 0.442 345 I N -0.260 120.363 120.570 0.088 0.000 2.252 345 I HA -0.257 3.867 4.170 -0.077 0.000 0.245 345 I C 2.941 179.108 176.117 0.084 0.000 1.102 345 I CA 0.987 62.345 61.300 0.097 0.000 1.385 345 I CB -0.269 37.795 38.000 0.108 0.000 1.064 345 I HN 0.355 nan 8.210 nan 0.000 0.414 346 A N 0.191 123.055 122.820 0.073 0.000 1.902 346 A HA -0.178 4.096 4.320 -0.077 0.000 0.217 346 A C 2.243 179.865 177.584 0.064 0.000 1.181 346 A CA 1.468 53.544 52.037 0.065 0.000 0.623 346 A CB -0.346 18.688 19.000 0.058 0.000 0.818 346 A HN 0.312 nan 8.150 nan 0.000 0.443 347 E N -0.319 119.921 120.200 0.066 0.000 2.216 347 E HA -0.022 4.282 4.350 -0.077 0.000 0.192 347 E C 1.916 178.559 176.600 0.072 0.000 0.988 347 E CA 0.515 56.955 56.400 0.066 0.000 0.834 347 E CB -0.262 29.477 29.700 0.065 0.000 0.772 347 E HN 0.719 nan 8.360 nan 0.000 0.479 348 I N 0.674 121.291 120.570 0.080 0.000 2.226 348 I HA -0.194 3.929 4.170 -0.077 0.000 0.245 348 I C 2.430 178.584 176.117 0.062 0.000 1.100 348 I CA 1.382 62.727 61.300 0.074 0.000 1.374 348 I CB -0.386 37.665 38.000 0.084 0.000 1.057 348 I HN 0.106 nan 8.210 nan 0.000 0.413 349 G N -0.704 108.135 108.800 0.064 0.000 2.402 349 G HA2 -0.275 3.639 3.960 -0.077 0.000 0.216 349 G HA3 -0.275 3.639 3.960 -0.077 0.000 0.216 349 G C 1.763 176.696 174.900 0.056 0.000 1.162 349 G CA 0.989 46.124 45.100 0.059 0.000 0.777 349 G HN 0.377 nan 8.290 nan 0.000 0.539 350 S N -0.136 115.598 115.700 0.056 0.000 2.348 350 S HA -0.092 4.332 4.470 -0.077 0.000 0.221 350 S C 2.357 176.990 174.600 0.055 0.000 1.033 350 S CA 1.373 59.605 58.200 0.053 0.000 1.010 350 S CB -0.331 62.900 63.200 0.052 0.000 0.891 350 S HN 0.181 nan 8.310 nan 0.000 0.442 351 L N 1.461 122.719 121.223 0.059 0.000 2.079 351 L HA -0.021 4.273 4.340 -0.077 0.000 0.210 351 L C 2.639 179.546 176.870 0.061 0.000 1.081 351 L CA 2.191 57.068 54.840 0.063 0.000 0.752 351 L CB -1.052 41.048 42.059 0.069 0.000 0.896 351 L HN 0.393 nan 8.230 nan 0.000 0.433 352 S N -1.178 114.558 115.700 0.060 0.000 2.368 352 S HA -0.216 4.208 4.470 -0.077 0.000 0.225 352 S C 2.071 176.708 174.600 0.061 0.000 1.030 352 S CA 1.320 59.556 58.200 0.061 0.000 0.999 352 S CB -0.406 62.828 63.200 0.057 0.000 0.844 352 S HN 0.569 nan 8.310 nan 0.000 0.459 353 E N 0.766 121.000 120.200 0.056 0.000 2.150 353 E HA -0.107 4.197 4.350 -0.077 0.000 0.193 353 E C 2.112 178.740 176.600 0.048 0.000 0.985 353 E CA 0.694 57.126 56.400 0.053 0.000 0.814 353 E CB -0.098 29.630 29.700 0.047 0.000 0.752 353 E HN 0.334 nan 8.360 nan 0.000 0.466 354 R N 0.300 120.828 120.500 0.046 0.000 2.090 354 R HA 0.025 4.319 4.340 -0.077 0.000 0.228 354 R C 2.428 178.750 176.300 0.037 0.000 1.110 354 R CA 0.622 56.745 56.100 0.038 0.000 0.973 354 R CB -0.485 29.838 30.300 0.039 0.000 0.869 354 R HN 0.188 nan 8.270 nan 0.000 0.440 355 R N 0.277 120.804 120.500 0.045 0.000 2.096 355 R HA -0.002 4.292 4.340 -0.077 0.000 0.235 355 R C 2.350 178.672 176.300 0.037 0.000 1.127 355 R CA 1.071 57.197 56.100 0.043 0.000 0.968 355 R CB -0.295 30.039 30.300 0.056 0.000 0.861 355 R HN 0.195 nan 8.270 nan 0.000 0.440 356 I N -0.167 120.431 120.570 0.047 0.000 2.226 356 I HA -0.280 3.844 4.170 -0.077 0.000 0.245 356 I C 2.577 178.717 176.117 0.038 0.000 1.100 356 I CA 1.134 62.464 61.300 0.051 0.000 1.374 356 I CB -0.351 37.693 38.000 0.074 0.000 1.057 356 I HN 0.152 nan 8.210 nan 0.000 0.413 357 S N 1.068 116.790 115.700 0.036 0.000 2.368 357 S HA -0.187 4.237 4.470 -0.077 0.000 0.225 357 S C 2.103 176.702 174.600 -0.002 0.000 1.030 357 S CA 1.267 59.484 58.200 0.028 0.000 0.999 357 S CB -0.360 62.857 63.200 0.028 0.000 0.844 357 S HN 0.440 nan 8.310 nan 0.000 0.459 358 L N 0.502 121.722 121.223 -0.005 0.000 2.017 358 L HA -0.046 4.248 4.340 -0.077 0.000 0.208 358 L C 2.468 179.311 176.870 -0.045 0.000 1.073 358 L CA 1.733 56.560 54.840 -0.022 0.000 0.745 358 L CB -0.332 41.721 42.059 -0.010 0.000 0.894 358 L HN 0.397 nan 8.230 nan 0.000 0.432 359 M N -0.851 118.725 119.600 -0.040 0.000 2.346 359 M HA -0.215 4.219 4.480 -0.077 0.000 0.263 359 M C 1.831 178.068 176.300 -0.106 0.000 1.064 359 M CA 1.368 56.627 55.300 -0.069 0.000 1.083 359 M CB -0.066 32.496 32.600 -0.064 0.000 1.399 359 M HN 0.377 nan 8.290 nan 0.000 0.435 360 M N -1.082 118.459 119.600 -0.099 0.000 2.476 360 M HA 0.061 4.495 4.480 -0.077 0.000 0.262 360 M C 0.319 176.406 176.300 -0.355 0.000 1.111 360 M CA 0.635 55.827 55.300 -0.180 0.000 1.127 360 M CB -1.119 31.457 32.600 -0.040 0.000 1.376 360 M HN -0.024 nan 8.290 nan 0.000 0.465 361 D N 2.470 122.735 120.400 -0.226 0.000 2.365 361 D HA 0.096 4.689 4.640 -0.077 0.000 0.237 361 D C 1.062 177.237 176.300 -0.208 0.000 1.190 361 D CA 0.042 53.914 54.000 -0.212 0.000 0.867 361 D CB 0.942 41.686 40.800 -0.093 0.000 1.050 361 D HN 0.344 nan 8.370 nan 0.000 0.491 362 K N 2.596 122.812 120.400 -0.306 0.000 2.280 362 K HA -0.168 4.106 4.320 -0.077 0.000 0.202 362 K C 0.908 177.337 176.600 -0.285 0.000 1.047 362 K CA 1.141 57.247 56.287 -0.302 0.000 0.942 362 K CB -0.238 32.046 32.500 -0.360 0.000 0.739 362 K HN 0.476 nan 8.250 nan 0.000 0.457 363 H N -0.342 118.676 119.070 -0.088 0.000 2.524 363 H HA 0.133 4.643 4.556 -0.078 0.000 0.282 363 H C 1.549 176.840 175.328 -0.063 0.000 1.016 363 H CA 1.159 57.168 56.048 -0.066 0.000 1.270 363 H CB 0.259 29.985 29.762 -0.060 0.000 1.394 363 H HN 0.206 nan 8.280 nan 0.000 0.568 364 M N -1.167 118.441 119.600 0.014 0.000 2.447 364 M HA 0.089 4.523 4.480 -0.077 0.000 0.255 364 M C 2.161 178.438 176.300 -0.039 0.000 1.289 364 M CA 0.494 55.787 55.300 -0.011 0.000 1.128 364 M CB 0.129 32.720 32.600 -0.015 0.000 1.540 364 M HN 0.196 nan 8.290 nan 0.000 0.557 365 S N 0.641 116.302 115.700 -0.064 0.000 2.387 365 S HA -0.085 4.339 4.470 -0.077 0.000 0.226 365 S C 1.049 175.613 174.600 -0.061 0.000 1.026 365 S CA 0.673 58.833 58.200 -0.068 0.000 0.972 365 S CB -0.277 62.867 63.200 -0.094 0.000 0.814 365 S HN 0.582 nan 8.310 nan 0.000 0.477 366 Q N 0.224 119.987 119.800 -0.063 0.000 2.502 366 Q HA -0.083 4.211 4.340 -0.077 0.000 0.273 366 Q C -1.113 174.859 176.000 -0.046 0.000 1.127 366 Q CA 0.676 56.448 55.803 -0.051 0.000 0.952 366 Q CB -1.844 26.867 28.738 -0.045 0.000 1.333 366 Q HN 0.639 nan 8.270 nan 0.000 0.494 367 L N -0.417 120.768 121.223 -0.063 0.000 2.424 367 L HA 0.629 4.922 4.340 -0.077 0.000 0.258 367 L C -2.163 174.661 176.870 -0.076 0.000 0.995 367 L CA -2.353 52.452 54.840 -0.058 0.000 0.821 367 L CB 1.801 43.820 42.059 -0.066 0.000 1.383 367 L HN -0.180 nan 8.230 nan 0.000 0.410 368 P HA 0.125 nan 4.420 nan 0.000 0.269 368 P C -2.619 174.625 177.300 -0.093 0.000 1.217 368 P CA -1.187 61.884 63.100 -0.049 0.000 0.783 368 P CB -0.635 31.068 31.700 0.006 0.000 0.898 369 P HA -0.029 nan 4.420 nan 0.000 0.262 369 P C -0.156 177.081 177.300 -0.105 0.000 1.182 369 P CA 0.444 63.395 63.100 -0.249 0.000 0.761 369 P CB -0.458 31.147 31.700 -0.157 0.000 0.795 370 F N 1.570 121.510 119.950 -0.017 0.000 3.100 370 F HA -0.208 4.272 4.527 -0.078 0.000 0.283 370 F C 0.897 176.699 175.800 0.003 0.000 0.900 370 F CA 0.070 58.075 58.000 0.008 0.000 1.010 370 F CB -2.388 36.636 39.000 0.040 0.000 1.029 370 F HN 0.124 nan 8.300 nan 0.000 0.637 371 L N -2.325 118.911 121.223 0.020 0.000 3.976 371 L HA -0.233 4.061 4.340 -0.077 0.000 0.418 371 L C 0.169 177.070 176.870 0.053 0.000 1.177 371 L CA 1.010 55.813 54.840 -0.063 0.000 0.968 371 L CB -2.186 39.662 42.059 -0.352 0.000 1.933 371 L HN 0.324 nan 8.230 nan 0.000 0.976 372 V N -3.748 116.254 119.914 0.147 0.000 2.656 372 V HA 0.625 4.698 4.120 -0.077 0.000 0.307 372 V C 0.611 176.801 176.094 0.160 0.000 1.051 372 V CA -1.350 61.075 62.300 0.208 0.000 0.893 372 V CB 2.122 34.120 31.823 0.293 0.000 0.999 372 V HN 0.230 nan 8.190 nan 0.000 0.426 373 E N 3.004 123.301 120.200 0.162 0.000 2.373 373 E HA 0.274 4.578 4.350 -0.077 0.000 0.267 373 E C -0.307 176.362 176.600 0.115 0.000 1.032 373 E CA -0.148 56.325 56.400 0.121 0.000 0.889 373 E CB 0.134 29.905 29.700 0.118 0.000 0.984 373 E HN 0.772 nan 8.360 nan 0.000 0.425 374 N N 1.673 120.426 118.700 0.089 0.000 2.771 374 N HA -0.134 4.560 4.740 -0.077 0.000 0.249 374 N C 0.512 176.079 175.510 0.094 0.000 1.069 374 N CA 0.769 53.866 53.050 0.079 0.000 0.688 374 N CB -1.329 37.201 38.487 0.071 0.000 0.928 374 N HN 0.854 nan 8.380 nan 0.000 0.551 375 G N -0.595 108.267 108.800 0.103 0.000 2.708 375 G HA2 0.038 3.951 3.960 -0.077 0.000 0.210 375 G HA3 0.038 3.951 3.960 -0.077 0.000 0.210 375 G C 1.391 176.354 174.900 0.105 0.000 1.141 375 G CA 0.847 46.023 45.100 0.126 0.000 0.788 375 G HN 0.512 nan 8.290 nan 0.000 0.531 376 G N -0.499 108.347 108.800 0.077 0.000 2.464 376 G HA2 0.051 3.964 3.960 -0.077 0.000 0.217 376 G HA3 0.051 3.964 3.960 -0.077 0.000 0.217 376 G C 1.191 176.124 174.900 0.055 0.000 1.138 376 G CA 0.996 46.133 45.100 0.061 0.000 0.793 376 G HN 0.322 nan 8.290 nan 0.000 0.539 377 V N 0.078 120.028 119.914 0.060 0.000 3.548 377 V HA 0.221 4.295 4.120 -0.077 0.000 0.279 377 V C 0.075 176.207 176.094 0.063 0.000 1.446 377 V CA -0.200 62.130 62.300 0.051 0.000 1.023 377 V CB 0.283 32.131 31.823 0.042 0.000 0.820 377 V HN 0.221 nan 8.190 nan 0.000 0.438 378 N N -0.442 118.312 118.700 0.090 0.000 2.384 378 N HA 0.335 5.028 4.740 -0.077 0.000 0.301 378 N C 0.297 175.878 175.510 0.119 0.000 1.133 378 N CA -0.129 52.995 53.050 0.122 0.000 0.853 378 N CB 2.066 40.657 38.487 0.174 0.000 1.241 378 N HN -0.057 nan 8.380 nan 0.000 0.502 379 S N 0.030 115.794 115.700 0.105 0.000 2.517 379 S HA 0.175 4.599 4.470 -0.077 0.000 0.214 379 S C 1.324 175.943 174.600 0.031 0.000 0.991 379 S CA 0.169 58.369 58.200 0.000 0.000 0.906 379 S CB 0.140 63.292 63.200 -0.081 0.000 0.789 379 S HN 0.933 nan 8.310 nan 0.000 0.513 380 G N 2.194 111.108 108.800 0.190 0.000 2.634 380 G HA2 -0.340 3.574 3.960 -0.077 0.000 0.309 380 G HA3 -0.340 3.574 3.960 -0.077 0.000 0.309 380 G C 0.322 175.232 174.900 0.016 0.000 1.265 380 G CA 0.672 45.876 45.100 0.173 0.000 0.998 380 G HN 0.394 nan 8.290 nan 0.000 0.551 381 F N 1.195 121.073 119.950 -0.121 0.000 2.811 381 F HA 0.363 4.843 4.527 -0.078 0.000 0.301 381 F C 2.650 178.302 175.800 -0.247 0.000 1.151 381 F CA 1.172 59.036 58.000 -0.226 0.000 1.412 381 F CB -0.185 38.777 39.000 -0.064 0.000 1.113 381 F HN 0.361 nan 8.300 nan 0.000 0.579 382 M N -0.209 119.307 119.600 -0.140 0.000 2.089 382 M HA -0.276 4.157 4.480 -0.077 0.000 0.257 382 M C 1.714 177.848 176.300 -0.277 0.000 1.071 382 M CA 1.868 56.937 55.300 -0.386 0.000 1.096 382 M CB -0.105 31.947 32.600 -0.914 0.000 1.330 382 M HN 0.032 nan 8.290 nan 0.000 0.403 383 I N -0.421 119.953 120.570 -0.326 0.000 3.030 383 I HA -0.021 4.102 4.170 -0.077 0.000 0.270 383 I C 2.543 178.469 176.117 -0.318 0.000 1.211 383 I CA 0.963 62.099 61.300 -0.273 0.000 1.479 383 I CB -1.872 35.992 38.000 -0.227 0.000 1.105 383 I HN 0.274 nan 8.210 nan 0.000 0.447 384 A N 0.504 123.001 122.820 -0.539 0.000 1.972 384 A HA -0.221 4.052 4.320 -0.077 0.000 0.219 384 A C 2.322 179.795 177.584 -0.185 0.000 1.169 384 A CA 1.323 53.056 52.037 -0.506 0.000 0.635 384 A CB -0.575 17.855 19.000 -0.950 0.000 0.810 384 A HN 0.440 nan 8.150 nan 0.000 0.446 385 Q N -0.088 119.656 119.800 -0.093 0.000 2.119 385 Q HA -0.118 4.175 4.340 -0.077 0.000 0.201 385 Q C 2.070 178.063 176.000 -0.012 0.000 0.972 385 Q CA 1.810 57.617 55.803 0.007 0.000 0.847 385 Q CB -0.188 28.597 28.738 0.078 0.000 0.903 385 Q HN 0.458 nan 8.270 nan 0.000 0.433 386 V N 0.483 120.368 119.914 -0.047 0.000 2.287 386 V HA -0.283 3.791 4.120 -0.077 0.000 0.248 386 V C 2.340 178.414 176.094 -0.034 0.000 1.053 386 V CA 2.244 64.521 62.300 -0.039 0.000 1.027 386 V CB -0.990 30.797 31.823 -0.060 0.000 0.646 386 V HN 0.423 nan 8.190 nan 0.000 0.447 387 T N 0.315 114.834 114.554 -0.058 0.000 2.684 387 T HA -0.206 4.097 4.350 -0.077 0.000 0.267 387 T C 2.064 176.759 174.700 -0.009 0.000 1.036 387 T CA 1.766 63.843 62.100 -0.038 0.000 1.148 387 T CB -0.497 68.336 68.868 -0.058 0.000 0.863 387 T HN 0.589 nan 8.240 nan 0.000 0.436 388 A N 1.386 124.205 122.820 -0.001 0.000 1.908 388 A HA 0.053 4.327 4.320 -0.077 0.000 0.218 388 A C 2.628 180.227 177.584 0.026 0.000 1.181 388 A CA 2.046 54.097 52.037 0.025 0.000 0.627 388 A CB -1.118 17.907 19.000 0.042 0.000 0.818 388 A HN 0.529 nan 8.150 nan 0.000 0.445 389 A N -0.201 122.630 122.820 0.020 0.000 1.873 389 A HA 0.178 4.452 4.320 -0.077 0.000 0.215 389 A C 2.539 180.135 177.584 0.020 0.000 1.186 389 A CA 2.126 54.177 52.037 0.022 0.000 0.616 389 A CB -1.164 17.847 19.000 0.020 0.000 0.823 389 A HN 1.136 nan 8.150 nan 0.000 0.442 390 A N 0.192 123.020 122.820 0.013 0.000 1.869 390 A HA -0.200 4.074 4.320 -0.077 0.000 0.218 390 A C 2.192 179.789 177.584 0.021 0.000 1.203 390 A CA 1.896 53.942 52.037 0.014 0.000 0.638 390 A CB -0.908 18.096 19.000 0.008 0.000 0.831 390 A HN 0.523 nan 8.150 nan 0.000 0.450 391 L N -1.025 120.212 121.223 0.025 0.000 2.017 391 L HA -0.185 4.108 4.340 -0.077 0.000 0.208 391 L C 3.088 179.980 176.870 0.038 0.000 1.073 391 L CA 1.200 56.060 54.840 0.032 0.000 0.745 391 L CB -0.771 41.309 42.059 0.035 0.000 0.894 391 L HN 0.442 nan 8.230 nan 0.000 0.432 392 A N -0.504 122.338 122.820 0.038 0.000 1.933 392 A HA -0.237 4.036 4.320 -0.077 0.000 0.218 392 A C 2.578 180.185 177.584 0.038 0.000 1.175 392 A CA 2.085 54.147 52.037 0.041 0.000 0.628 392 A CB -0.690 18.335 19.000 0.041 0.000 0.814 392 A HN 0.401 nan 8.150 nan 0.000 0.444 393 S N -0.698 115.022 115.700 0.032 0.000 2.383 393 S HA -0.203 4.221 4.470 -0.077 0.000 0.227 393 S C 1.950 176.569 174.600 0.031 0.000 1.026 393 S CA 1.545 59.763 58.200 0.030 0.000 0.981 393 S CB -0.391 62.823 63.200 0.023 0.000 0.818 393 S HN 0.638 nan 8.310 nan 0.000 0.472 394 E N 0.516 120.735 120.200 0.032 0.000 2.171 394 E HA -0.189 4.115 4.350 -0.077 0.000 0.197 394 E C 1.454 178.079 176.600 0.041 0.000 0.997 394 E CA 1.234 57.655 56.400 0.034 0.000 0.810 394 E CB -0.157 29.564 29.700 0.035 0.000 0.738 394 E HN 0.501 nan 8.360 nan 0.000 0.467 395 N N 0.531 119.259 118.700 0.046 0.000 2.396 395 N HA -0.096 4.597 4.740 -0.077 0.000 0.180 395 N C 1.341 176.882 175.510 0.052 0.000 1.028 395 N CA 0.713 53.795 53.050 0.053 0.000 0.893 395 N CB 0.010 38.531 38.487 0.056 0.000 0.967 395 N HN 0.194 nan 8.380 nan 0.000 0.440 396 K N 0.850 121.277 120.400 0.046 0.000 1.985 396 K HA 0.010 4.284 4.320 -0.077 0.000 0.210 396 K C 2.085 178.717 176.600 0.054 0.000 1.047 396 K CA 1.334 57.649 56.287 0.046 0.000 0.932 396 K CB -0.183 32.340 32.500 0.038 0.000 0.716 396 K HN 0.081 nan 8.250 nan 0.000 0.439 397 A N 1.600 124.447 122.820 0.045 0.000 1.883 397 A HA -0.156 4.117 4.320 -0.077 0.000 0.217 397 A C 2.151 179.775 177.584 0.067 0.000 1.186 397 A CA 1.367 53.429 52.037 0.043 0.000 0.624 397 A CB -0.803 18.208 19.000 0.019 0.000 0.822 397 A HN 0.201 nan 8.150 nan 0.000 0.444 398 L N 0.553 121.815 121.223 0.065 0.000 2.187 398 L HA -0.177 4.117 4.340 -0.077 0.000 0.213 398 L C 2.714 179.640 176.870 0.093 0.000 1.100 398 L CA 1.469 56.358 54.840 0.081 0.000 0.765 398 L CB -0.296 41.805 42.059 0.069 0.000 0.904 398 L HN 0.636 nan 8.230 nan 0.000 0.437 399 S N -2.377 113.371 115.700 0.080 0.000 2.603 399 S HA -0.125 4.299 4.470 -0.077 0.000 0.220 399 S C 0.807 175.436 174.600 0.049 0.000 0.967 399 S CA -0.309 57.930 58.200 0.063 0.000 0.920 399 S CB -0.599 62.631 63.200 0.050 0.000 0.773 399 S HN 0.468 nan 8.310 nan 0.000 0.529 400 H N 4.521 123.578 119.070 -0.022 0.000 3.094 400 H HA 0.222 4.756 4.556 -0.036 0.000 0.320 400 H C -2.352 172.916 175.328 -0.100 0.000 1.000 400 H CA -0.650 55.357 56.048 -0.068 0.000 1.413 400 H CB 0.519 30.219 29.762 -0.102 0.000 1.405 400 H HN 0.234 nan 8.280 nan 0.000 0.586 401 P HA 0.026 nan 4.420 nan 0.000 0.275 401 P C -0.061 177.070 177.300 -0.281 0.000 1.227 401 P CA 0.074 62.993 63.100 -0.302 0.000 0.781 401 P CB 1.007 32.545 31.700 -0.270 0.000 0.906 402 H N 0.696 119.731 119.070 -0.059 0.000 2.582 402 H HA -0.005 4.528 4.556 -0.037 0.000 0.269 402 H C 1.857 177.173 175.328 -0.020 0.000 0.962 402 H CA 1.117 57.157 56.048 -0.015 0.000 1.230 402 H CB 0.193 29.945 29.762 -0.017 0.000 1.445 402 H HN 0.492 nan 8.280 nan 0.000 0.528 403 S N 1.259 116.999 115.700 0.066 0.000 2.547 403 S HA -0.075 4.349 4.470 -0.077 0.000 0.235 403 S C 1.917 176.547 174.600 0.050 0.000 0.980 403 S CA 0.907 59.139 58.200 0.054 0.000 0.941 403 S CB -0.824 62.400 63.200 0.041 0.000 0.763 403 S HN 0.254 nan 8.310 nan 0.000 0.532 404 V N -2.021 117.905 119.914 0.019 0.000 3.650 404 V HA 0.359 4.433 4.120 -0.077 0.000 0.271 404 V C 0.203 176.329 176.094 0.053 0.000 1.281 404 V CA 0.084 62.403 62.300 0.031 0.000 1.120 404 V CB -0.605 31.209 31.823 -0.015 0.000 0.856 404 V HN 0.259 nan 8.190 nan 0.000 0.443 405 D N 0.526 120.954 120.400 0.046 0.000 2.217 405 D HA 0.675 5.269 4.640 -0.077 0.000 0.248 405 D C -0.491 175.816 176.300 0.011 0.000 1.008 405 D CA 0.232 54.257 54.000 0.041 0.000 0.914 405 D CB 2.020 42.845 40.800 0.042 0.000 1.182 405 D HN 0.363 nan 8.370 nan 0.000 0.451 406 S N 1.675 117.377 115.700 0.002 0.000 2.552 406 S HA 0.627 5.051 4.470 -0.077 0.000 0.272 406 S C -2.049 172.539 174.600 -0.021 0.000 1.150 406 S CA -0.726 57.438 58.200 -0.061 0.000 0.849 406 S CB 0.380 63.487 63.200 -0.155 0.000 1.113 406 S HN 0.390 nan 8.310 nan 0.000 0.458 407 L N 3.205 124.404 121.223 -0.040 0.000 2.431 407 L HA 0.569 4.863 4.340 -0.077 0.000 0.266 407 L C -2.487 174.369 176.870 -0.023 0.000 0.978 407 L CA -2.136 52.694 54.840 -0.017 0.000 0.822 407 L CB 2.731 44.780 42.059 -0.018 0.000 1.310 407 L HN 0.486 nan 8.230 nan 0.000 0.409 408 P HA 0.170 nan 4.420 nan 0.000 0.271 408 P C -0.589 176.700 177.300 -0.018 0.000 1.233 408 P CA -0.191 62.909 63.100 0.000 0.000 0.764 408 P CB 0.814 32.523 31.700 0.015 0.000 0.825 409 T N -1.651 112.883 114.554 -0.032 0.000 2.905 409 T HA 0.445 4.749 4.350 -0.077 0.000 0.283 409 T C -0.047 174.625 174.700 -0.047 0.000 1.031 409 T CA -0.731 61.340 62.100 -0.049 0.000 1.002 409 T CB 0.171 68.994 68.868 -0.076 0.000 1.200 409 T HN 0.206 nan 8.240 nan 0.000 0.560 410 S N -0.034 115.630 115.700 -0.061 0.000 3.559 410 S HA -0.022 4.402 4.470 -0.077 0.000 0.369 410 S C 1.053 175.634 174.600 -0.032 0.000 0.987 410 S CA 0.954 59.118 58.200 -0.059 0.000 1.187 410 S CB -2.467 60.684 63.200 -0.082 0.000 0.914 410 S HN 2.419 nan 8.310 nan 0.000 0.480 411 A N 0.140 122.947 122.820 -0.022 0.000 2.925 411 A HA -0.269 4.005 4.320 -0.077 0.000 0.265 411 A C 1.004 178.588 177.584 -0.001 0.000 1.419 411 A CA 1.061 53.093 52.037 -0.008 0.000 0.807 411 A CB -1.935 17.063 19.000 -0.004 0.000 1.043 411 A HN 1.478 nan 8.150 nan 0.000 0.600 412 N N -2.909 115.791 118.700 -0.000 0.000 2.901 412 N HA -0.214 4.480 4.740 -0.077 0.000 0.248 412 N C 0.715 176.235 175.510 0.018 0.000 1.044 412 N CA 1.417 54.474 53.050 0.011 0.000 0.847 412 N CB -0.742 37.754 38.487 0.014 0.000 1.127 412 N HN 0.817 nan 8.380 nan 0.000 0.562 413 Q N 0.563 120.370 119.800 0.011 0.000 2.297 413 Q HA 0.143 4.437 4.340 -0.077 0.000 0.203 413 Q C 0.516 176.534 176.000 0.030 0.000 0.931 413 Q CA 0.797 56.612 55.803 0.020 0.000 0.885 413 Q CB 0.187 28.933 28.738 0.014 0.000 0.991 413 Q HN 0.443 nan 8.270 nan 0.000 0.498 414 E N 2.581 122.785 120.200 0.007 0.000 2.201 414 E HA 0.002 4.306 4.350 -0.077 0.000 0.272 414 E C -0.223 176.392 176.600 0.024 0.000 1.228 414 E CA -0.170 56.232 56.400 0.004 0.000 1.305 414 E CB 0.259 29.923 29.700 -0.060 0.000 1.381 414 E HN 0.241 nan 8.360 nan 0.000 0.475 415 D N 0.061 120.503 120.400 0.069 0.000 2.340 415 D HA -0.116 4.478 4.640 -0.077 0.000 0.220 415 D C 0.203 176.595 176.300 0.153 0.000 1.039 415 D CA 0.411 54.461 54.000 0.084 0.000 0.866 415 D CB 0.181 41.028 40.800 0.077 0.000 0.913 415 D HN 0.262 nan 8.370 nan 0.000 0.523 416 H N -0.058 119.062 119.070 0.083 0.000 3.149 416 H HA 0.408 4.917 4.556 -0.079 0.000 0.334 416 H C -1.355 174.065 175.328 0.155 0.000 1.000 416 H CA -0.685 55.440 56.048 0.127 0.000 1.415 416 H CB 1.861 31.718 29.762 0.158 0.000 1.819 416 H HN -0.067 nan 8.280 nan 0.000 0.486 417 V N 2.377 121.983 119.914 -0.512 0.000 3.113 417 V HA 0.513 4.586 4.120 -0.077 0.000 0.316 417 V C 1.050 176.871 176.094 -0.455 0.000 1.125 417 V CA 0.014 62.023 62.300 -0.485 0.000 1.026 417 V CB 1.466 33.110 31.823 -0.298 0.000 1.080 417 V HN 0.755 nan 8.190 nan 0.000 0.444 418 S N 0.614 116.136 115.700 -0.297 0.000 2.404 418 S HA 0.014 4.437 4.470 -0.077 0.000 0.223 418 S C 1.278 175.853 174.600 -0.041 0.000 1.040 418 S CA 1.243 59.430 58.200 -0.022 0.000 0.957 418 S CB -0.556 62.680 63.200 0.059 0.000 0.826 418 S HN 1.309 nan 8.310 nan 0.000 0.491 419 M N -0.025 119.527 119.600 -0.080 0.000 2.921 419 M HA -0.155 4.279 4.480 -0.077 0.000 0.206 419 M C 1.013 177.284 176.300 -0.049 0.000 0.574 419 M CA 0.320 55.591 55.300 -0.047 0.000 0.746 419 M CB -2.299 30.309 32.600 0.014 0.000 2.693 419 M HN 0.537 nan 8.290 nan 0.000 0.439 420 A N -0.607 122.179 122.820 -0.058 0.000 1.892 420 A HA -0.119 4.155 4.320 -0.077 0.000 0.218 420 A C -0.301 177.209 177.584 -0.123 0.000 1.188 420 A CA 2.247 54.244 52.037 -0.067 0.000 0.631 420 A CB -1.451 17.516 19.000 -0.056 0.000 0.822 420 A HN 0.488 nan 8.150 nan 0.000 0.447 421 P HA -0.165 nan 4.420 nan 0.000 0.215 421 P C 1.726 178.937 177.300 -0.149 0.000 1.157 421 P CA 2.125 65.095 63.100 -0.217 0.000 0.874 421 P CB -0.173 31.372 31.700 -0.258 0.000 0.790 422 A N -0.449 122.235 122.820 -0.227 0.000 1.972 422 A HA -0.075 4.199 4.320 -0.077 0.000 0.219 422 A C 2.266 179.474 177.584 -0.627 0.000 1.169 422 A CA 1.912 53.684 52.037 -0.440 0.000 0.635 422 A CB -1.520 17.161 19.000 -0.531 0.000 0.810 422 A HN 0.196 nan 8.150 nan 0.000 0.446 423 A N -0.337 122.265 122.820 -0.362 0.000 1.845 423 A HA 0.132 4.406 4.320 -0.077 0.000 0.215 423 A C 2.431 179.904 177.584 -0.185 0.000 1.195 423 A CA 1.908 53.831 52.037 -0.190 0.000 0.616 423 A CB -1.433 17.544 19.000 -0.039 0.000 0.832 423 A HN 0.717 nan 8.150 nan 0.000 0.443 424 G N 0.118 108.826 108.800 -0.152 0.000 2.422 424 G HA2 -0.230 3.684 3.960 -0.077 0.000 0.218 424 G HA3 -0.230 3.684 3.960 -0.077 0.000 0.218 424 G C 1.598 176.200 174.900 -0.496 0.000 1.140 424 G CA 1.332 46.343 45.100 -0.148 0.000 0.775 424 G HN 0.747 nan 8.290 nan 0.000 0.545 425 K N 1.310 121.268 120.400 -0.736 0.000 2.057 425 K HA -0.154 4.120 4.320 -0.077 0.000 0.207 425 K C 2.375 178.305 176.600 -1.117 0.000 1.049 425 K CA 1.660 56.984 56.287 -1.605 0.000 0.931 425 K CB -0.218 31.653 32.500 -1.049 0.000 0.714 425 K HN 0.254 nan 8.250 nan 0.000 0.440 426 R N 1.503 121.672 120.500 -0.551 0.000 2.237 426 R HA 0.008 4.301 4.340 -0.077 0.000 0.219 426 R C 1.854 178.069 176.300 -0.142 0.000 1.080 426 R CA 1.391 57.339 56.100 -0.255 0.000 0.995 426 R CB -1.219 29.018 30.300 -0.106 0.000 0.875 426 R HN 0.346 nan 8.270 nan 0.000 0.462 427 L N -0.717 120.403 121.223 -0.171 0.000 2.191 427 L HA -0.073 4.220 4.340 -0.077 0.000 0.212 427 L C 1.770 178.791 176.870 0.252 0.000 1.103 427 L CA 0.813 55.672 54.840 0.031 0.000 0.769 427 L CB -0.507 41.586 42.059 0.058 0.000 0.908 427 L HN 0.206 nan 8.230 nan 0.000 0.438 428 W N 0.354 121.723 121.300 0.115 0.000 2.381 428 W HA -0.128 4.493 4.660 -0.066 0.000 0.301 428 W C 2.476 179.079 176.519 0.141 0.000 1.205 428 W CA 0.698 58.176 57.345 0.221 0.000 1.285 428 W CB -0.897 28.666 29.460 0.172 0.000 1.133 428 W HN 0.277 nan 8.180 nan 0.000 0.521 429 E N -0.061 120.300 120.200 0.269 0.000 2.152 429 E HA -0.141 4.162 4.350 -0.077 0.000 0.192 429 E C 2.156 178.831 176.600 0.126 0.000 0.983 429 E CA 0.989 57.487 56.400 0.163 0.000 0.818 429 E CB -0.200 29.559 29.700 0.099 0.000 0.758 429 E HN 0.129 nan 8.360 nan 0.000 0.467 430 M N 0.082 119.759 119.600 0.128 0.000 2.117 430 M HA -0.123 4.311 4.480 -0.077 0.000 0.262 430 M C 2.443 178.814 176.300 0.118 0.000 1.065 430 M CA 1.444 56.808 55.300 0.108 0.000 1.114 430 M CB -0.142 32.517 32.600 0.099 0.000 1.361 430 M HN 0.168 nan 8.290 nan 0.000 0.408 431 A N 0.207 123.126 122.820 0.165 0.000 1.969 431 A HA -0.155 4.119 4.320 -0.077 0.000 0.218 431 A C 1.895 179.507 177.584 0.047 0.000 1.169 431 A CA 1.557 53.680 52.037 0.142 0.000 0.635 431 A CB -0.585 18.570 19.000 0.259 0.000 0.810 431 A HN 0.530 nan 8.150 nan 0.000 0.445 432 E N -0.147 120.081 120.200 0.047 0.000 2.107 432 E HA -0.149 4.155 4.350 -0.077 0.000 0.191 432 E C 1.699 178.319 176.600 0.033 0.000 0.982 432 E CA 0.910 57.319 56.400 0.015 0.000 0.809 432 E CB -0.153 29.567 29.700 0.033 0.000 0.756 432 E HN 0.522 nan 8.360 nan 0.000 0.459 433 N N 0.249 118.981 118.700 0.052 0.000 2.084 433 N HA -0.108 4.585 4.740 -0.077 0.000 0.190 433 N C 1.829 177.369 175.510 0.051 0.000 1.030 433 N CA 1.481 54.561 53.050 0.051 0.000 0.849 433 N CB -0.555 37.966 38.487 0.056 0.000 1.012 433 N HN 0.054 nan 8.380 nan 0.000 0.423 434 T N 0.547 115.135 114.554 0.056 0.000 2.951 434 T HA 0.009 4.313 4.350 -0.077 0.000 0.268 434 T C 1.916 176.645 174.700 0.049 0.000 1.073 434 T CA 0.427 62.561 62.100 0.057 0.000 1.134 434 T CB 0.208 69.117 68.868 0.067 0.000 0.884 434 T HN 0.212 nan 8.240 nan 0.000 0.479 435 R N 0.410 120.932 120.500 0.035 0.000 2.096 435 R HA -0.059 4.235 4.340 -0.077 0.000 0.235 435 R C 2.622 178.952 176.300 0.050 0.000 1.127 435 R CA 1.424 57.539 56.100 0.025 0.000 0.968 435 R CB -0.455 29.837 30.300 -0.013 0.000 0.861 435 R HN 0.432 nan 8.270 nan 0.000 0.440 436 G N -0.510 108.319 108.800 0.049 0.000 2.408 436 G HA2 -0.143 3.771 3.960 -0.077 0.000 0.215 436 G HA3 -0.143 3.771 3.960 -0.077 0.000 0.215 436 G C 1.372 176.316 174.900 0.074 0.000 1.156 436 G CA 0.412 45.548 45.100 0.060 0.000 0.793 436 G HN 0.168 nan 8.290 nan 0.000 0.535 437 V N 1.020 120.973 119.914 0.066 0.000 2.287 437 V HA -0.157 3.917 4.120 -0.077 0.000 0.248 437 V C 2.922 179.072 176.094 0.095 0.000 1.053 437 V CA 1.580 63.924 62.300 0.073 0.000 1.027 437 V CB -0.432 31.428 31.823 0.062 0.000 0.646 437 V HN 0.336 nan 8.190 nan 0.000 0.447 438 L N -0.200 121.075 121.223 0.088 0.000 2.093 438 L HA -0.137 4.157 4.340 -0.077 0.000 0.208 438 L C 2.726 179.703 176.870 0.179 0.000 1.085 438 L CA 1.411 56.307 54.840 0.095 0.000 0.755 438 L CB -0.811 41.271 42.059 0.038 0.000 0.904 438 L HN 0.357 nan 8.230 nan 0.000 0.435 439 A N 0.561 123.499 122.820 0.197 0.000 1.873 439 A HA -0.235 4.039 4.320 -0.077 0.000 0.218 439 A C 2.216 179.967 177.584 0.279 0.000 1.193 439 A CA 1.902 54.111 52.037 0.287 0.000 0.629 439 A CB -0.766 18.349 19.000 0.192 0.000 0.826 439 A HN 0.362 nan 8.150 nan 0.000 0.447 440 I N -0.850 119.846 120.570 0.209 0.000 2.226 440 I HA -0.246 3.878 4.170 -0.077 0.000 0.245 440 I C 2.607 178.883 176.117 0.266 0.000 1.100 440 I CA 1.705 63.141 61.300 0.227 0.000 1.374 440 I CB -0.360 37.731 38.000 0.152 0.000 1.057 440 I HN 0.542 nan 8.210 nan 0.000 0.413 441 E N 0.533 120.862 120.200 0.214 0.000 2.058 441 E HA -0.296 4.007 4.350 -0.077 0.000 0.194 441 E C 2.141 178.898 176.600 0.261 0.000 0.997 441 E CA 1.660 58.174 56.400 0.190 0.000 0.801 441 E CB -0.223 29.560 29.700 0.138 0.000 0.746 441 E HN 0.496 nan 8.360 nan 0.000 0.450 442 W N 1.571 122.916 121.300 0.074 0.000 2.317 442 W HA -0.219 4.395 4.660 -0.078 0.000 0.318 442 W C 1.988 178.560 176.519 0.088 0.000 1.227 442 W CA 1.484 58.868 57.345 0.064 0.000 1.269 442 W CB -0.927 28.566 29.460 0.054 0.000 1.155 442 W HN 0.118 nan 8.180 nan 0.000 0.484 443 L N 0.124 121.493 121.223 0.242 0.000 2.012 443 L HA -0.161 4.133 4.340 -0.077 0.000 0.210 443 L C 2.732 179.715 176.870 0.189 0.000 1.073 443 L CA 1.828 56.776 54.840 0.180 0.000 0.748 443 L CB -1.544 40.714 42.059 0.332 0.000 0.891 443 L HN 0.142 nan 8.230 nan 0.000 0.431 444 G N -0.783 108.113 108.800 0.159 0.000 2.421 444 G HA2 -0.234 3.680 3.960 -0.077 0.000 0.216 444 G HA3 -0.234 3.680 3.960 -0.077 0.000 0.216 444 G C 1.765 176.570 174.900 -0.158 0.000 1.171 444 G CA 0.779 45.720 45.100 -0.265 0.000 0.775 444 G HN 0.470 nan 8.290 nan 0.000 0.543 445 A N -0.023 122.804 122.820 0.012 0.000 1.908 445 A HA -0.115 4.159 4.320 -0.077 0.000 0.218 445 A C 2.591 180.200 177.584 0.041 0.000 1.181 445 A CA 1.889 53.950 52.037 0.041 0.000 0.627 445 A CB -1.057 18.009 19.000 0.111 0.000 0.818 445 A HN 0.428 nan 8.150 nan 0.000 0.445 446 C N -1.400 117.938 119.300 0.065 0.000 2.429 446 C HA -0.075 4.338 4.460 -0.077 0.000 0.277 446 C C 2.871 177.878 174.990 0.028 0.000 1.262 446 C CA 1.398 60.446 59.018 0.051 0.000 1.733 446 C CB -1.025 26.717 27.740 0.003 0.000 2.010 446 C HN 0.801 nan 8.230 nan 0.000 0.483 447 Q N 1.340 121.116 119.800 -0.040 0.000 2.050 447 Q HA -0.053 4.240 4.340 -0.077 0.000 0.202 447 Q C 2.159 178.133 176.000 -0.043 0.000 0.980 447 Q CA 2.451 58.202 55.803 -0.085 0.000 0.840 447 Q CB -0.747 27.804 28.738 -0.312 0.000 0.898 447 Q HN 0.559 nan 8.270 nan 0.000 0.424 448 G N 0.327 109.069 108.800 -0.098 0.000 2.402 448 G HA2 -0.187 3.727 3.960 -0.077 0.000 0.216 448 G HA3 -0.187 3.727 3.960 -0.077 0.000 0.216 448 G C 1.378 176.285 174.900 0.011 0.000 1.162 448 G CA 0.781 45.849 45.100 -0.053 0.000 0.777 448 G HN 0.374 nan 8.290 nan 0.000 0.539 449 L N 0.418 121.658 121.223 0.028 0.000 2.083 449 L HA -0.074 4.220 4.340 -0.077 0.000 0.209 449 L C 2.455 179.361 176.870 0.059 0.000 1.083 449 L CA 1.018 55.886 54.840 0.047 0.000 0.752 449 L CB -0.281 41.812 42.059 0.056 0.000 0.899 449 L HN 0.088 nan 8.230 nan 0.000 0.433 450 D N 0.033 120.487 120.400 0.091 0.000 2.149 450 D HA -0.159 4.434 4.640 -0.077 0.000 0.198 450 D C 2.244 178.597 176.300 0.088 0.000 0.990 450 D CA 1.170 55.240 54.000 0.117 0.000 0.839 450 D CB -0.095 40.884 40.800 0.299 0.000 0.948 450 D HN 0.285 nan 8.370 nan 0.000 0.460 451 L N 0.130 121.423 121.223 0.116 0.000 2.465 451 L HA -0.004 4.289 4.340 -0.077 0.000 0.224 451 L C 0.940 177.836 176.870 0.044 0.000 1.145 451 L CA 0.539 55.432 54.840 0.088 0.000 0.834 451 L CB -0.059 42.051 42.059 0.085 0.000 0.944 451 L HN -0.181 nan 8.230 nan 0.000 0.451 452 R N 1.734 122.257 120.500 0.038 0.000 4.071 452 R HA 0.113 4.406 4.340 -0.077 0.000 0.220 452 R C -0.359 175.953 176.300 0.021 0.000 1.614 452 R CA -0.390 55.729 56.100 0.031 0.000 1.505 452 R CB -0.116 30.207 30.300 0.038 0.000 1.384 452 R HN 0.055 nan 8.270 nan 0.000 0.758 453 K N 0.881 121.288 120.400 0.011 0.000 2.438 453 K HA -0.121 4.153 4.320 -0.077 0.000 0.270 453 K C 1.270 177.869 176.600 -0.001 0.000 1.095 453 K CA 1.119 57.404 56.287 -0.003 0.000 1.174 453 K CB -0.042 32.453 32.500 -0.009 0.000 0.830 453 K HN 0.813 nan 8.250 nan 0.000 0.487 454 G N 1.931 110.728 108.800 -0.005 0.000 2.212 454 G HA2 -0.294 3.620 3.960 -0.077 0.000 0.266 454 G HA3 -0.294 3.620 3.960 -0.077 0.000 0.266 454 G C 0.207 175.109 174.900 0.005 0.000 0.978 454 G CA 0.217 45.315 45.100 -0.003 0.000 0.632 454 G HN 0.469 nan 8.290 nan 0.000 0.537 455 L N -0.053 121.176 121.223 0.011 0.000 2.399 455 L HA 0.616 4.910 4.340 -0.077 0.000 0.266 455 L C 0.596 177.478 176.870 0.019 0.000 1.114 455 L CA -0.557 54.292 54.840 0.015 0.000 0.804 455 L CB 1.035 43.106 42.059 0.020 0.000 1.146 455 L HN 0.035 nan 8.230 nan 0.000 0.451 456 K N 0.349 120.759 120.400 0.017 0.000 2.267 456 K HA 0.489 4.763 4.320 -0.077 0.000 0.246 456 K C -0.298 176.314 176.600 0.021 0.000 0.954 456 K CA -0.661 55.638 56.287 0.020 0.000 0.824 456 K CB 2.391 34.899 32.500 0.015 0.000 1.167 456 K HN 0.556 nan 8.250 nan 0.000 0.431 457 T N -0.329 114.241 114.554 0.027 0.000 2.920 457 T HA 0.213 4.517 4.350 -0.077 0.000 0.292 457 T C 0.430 175.141 174.700 0.018 0.000 1.093 457 T CA -0.458 61.658 62.100 0.027 0.000 0.944 457 T CB 0.531 69.422 68.868 0.038 0.000 1.605 457 T HN 0.695 nan 8.240 nan 0.000 0.590 458 S N 0.236 115.944 115.700 0.013 0.000 2.606 458 S HA 0.436 4.860 4.470 -0.077 0.000 0.257 458 S C 1.703 176.307 174.600 0.007 0.000 1.327 458 S CA -0.123 58.081 58.200 0.005 0.000 0.984 458 S CB 0.057 63.255 63.200 -0.004 0.000 0.941 458 S HN 0.944 nan 8.310 nan 0.000 0.576 459 A N 0.963 123.784 122.820 0.003 0.000 1.933 459 A HA -0.063 4.211 4.320 -0.077 0.000 0.218 459 A C 2.212 179.799 177.584 0.005 0.000 1.175 459 A CA 1.399 53.439 52.037 0.005 0.000 0.628 459 A CB -0.718 18.283 19.000 0.001 0.000 0.814 459 A HN 0.863 nan 8.150 nan 0.000 0.444 460 K N -0.579 119.818 120.400 -0.005 0.000 2.186 460 K HA 0.153 4.427 4.320 -0.077 0.000 0.202 460 K C 1.740 178.339 176.600 -0.002 0.000 1.052 460 K CA 0.777 57.058 56.287 -0.010 0.000 0.965 460 K CB -0.220 32.261 32.500 -0.031 0.000 0.746 460 K HN 0.454 nan 8.250 nan 0.000 0.457 461 L N 1.050 122.276 121.223 0.004 0.000 2.217 461 L HA -0.108 4.186 4.340 -0.077 0.000 0.211 461 L C 2.212 179.117 176.870 0.059 0.000 1.107 461 L CA 0.768 55.623 54.840 0.025 0.000 0.783 461 L CB -0.247 41.826 42.059 0.024 0.000 0.919 461 L HN 0.104 nan 8.230 nan 0.000 0.442 462 E N 0.769 120.997 120.200 0.047 0.000 2.106 462 E HA -0.169 4.135 4.350 -0.077 0.000 0.192 462 E C 2.104 178.744 176.600 0.067 0.000 0.984 462 E CA 0.991 57.424 56.400 0.055 0.000 0.806 462 E CB 0.013 29.735 29.700 0.037 0.000 0.750 462 E HN 0.464 nan 8.360 nan 0.000 0.458 463 K N 0.465 120.898 120.400 0.056 0.000 2.097 463 K HA -0.063 4.211 4.320 -0.077 0.000 0.206 463 K C 2.141 178.810 176.600 0.115 0.000 1.049 463 K CA 1.113 57.439 56.287 0.064 0.000 0.933 463 K CB -0.102 32.421 32.500 0.039 0.000 0.717 463 K HN 0.024 nan 8.250 nan 0.000 0.442 464 A N 1.732 124.628 122.820 0.127 0.000 1.902 464 A HA -0.172 4.102 4.320 -0.077 0.000 0.217 464 A C 2.085 179.920 177.584 0.420 0.000 1.181 464 A CA 1.284 53.464 52.037 0.239 0.000 0.623 464 A CB -0.359 18.708 19.000 0.112 0.000 0.818 464 A HN 0.198 nan 8.150 nan 0.000 0.443 465 R N -1.306 119.350 120.500 0.261 0.000 2.073 465 R HA -0.132 4.162 4.340 -0.077 0.000 0.234 465 R C 2.419 178.781 176.300 0.103 0.000 1.134 465 R CA 1.516 57.724 56.100 0.181 0.000 0.952 465 R CB -0.292 30.076 30.300 0.114 0.000 0.850 465 R HN 0.427 nan 8.270 nan 0.000 0.433 466 Q N 0.249 120.108 119.800 0.098 0.000 2.124 466 Q HA -0.060 4.233 4.340 -0.077 0.000 0.202 466 Q C 1.947 177.987 176.000 0.066 0.000 0.977 466 Q CA 1.898 57.738 55.803 0.062 0.000 0.850 466 Q CB -0.311 28.460 28.738 0.056 0.000 0.901 466 Q HN 0.374 nan 8.270 nan 0.000 0.429 467 A N -0.127 122.776 122.820 0.139 0.000 1.930 467 A HA -0.109 4.165 4.320 -0.077 0.000 0.217 467 A C 1.984 179.589 177.584 0.034 0.000 1.175 467 A CA 0.986 53.116 52.037 0.155 0.000 0.627 467 A CB -0.555 18.627 19.000 0.303 0.000 0.815 467 A HN 0.412 nan 8.150 nan 0.000 0.443 468 L N -1.163 119.990 121.223 -0.117 0.000 2.044 468 L HA -0.067 4.227 4.340 -0.077 0.000 0.205 468 L C 2.470 179.183 176.870 -0.261 0.000 1.075 468 L CA 1.077 55.606 54.840 -0.518 0.000 0.747 468 L CB -0.413 40.987 42.059 -1.098 0.000 0.903 468 L HN 0.284 nan 8.230 nan 0.000 0.435 469 R N -0.205 120.210 120.500 -0.142 0.000 2.193 469 R HA -0.080 4.213 4.340 -0.077 0.000 0.229 469 R C 2.169 178.434 176.300 -0.058 0.000 1.110 469 R CA 0.985 57.038 56.100 -0.078 0.000 0.988 469 R CB -0.694 29.589 30.300 -0.028 0.000 0.871 469 R HN 0.377 nan 8.270 nan 0.000 0.458 470 S N 0.782 116.453 115.700 -0.048 0.000 2.419 470 S HA -0.073 4.350 4.470 -0.077 0.000 0.233 470 S C 1.390 175.960 174.600 -0.050 0.000 1.016 470 S CA 1.053 59.233 58.200 -0.034 0.000 0.974 470 S CB 0.126 63.319 63.200 -0.012 0.000 0.786 470 S HN 0.362 nan 8.310 nan 0.000 0.492 471 E N -0.183 119.968 120.200 -0.081 0.000 2.364 471 E HA 0.197 4.501 4.350 -0.077 0.000 0.203 471 E C -0.272 176.261 176.600 -0.111 0.000 0.888 471 E CA 0.364 56.709 56.400 -0.091 0.000 0.989 471 E CB 0.746 30.383 29.700 -0.104 0.000 0.985 471 E HN 0.183 nan 8.360 nan 0.000 0.499 472 V N 1.770 121.601 119.914 -0.139 0.000 2.483 472 V HA 0.485 4.559 4.120 -0.077 0.000 0.297 472 V C -0.140 175.897 176.094 -0.096 0.000 1.027 472 V CA -0.895 61.321 62.300 -0.140 0.000 0.855 472 V CB 1.451 33.161 31.823 -0.189 0.000 0.995 472 V HN 0.145 nan 8.190 nan 0.000 0.424 473 A N 2.879 125.658 122.820 -0.068 0.000 2.332 473 A HA 0.498 4.771 4.320 -0.077 0.000 0.258 473 A C 0.116 177.720 177.584 0.033 0.000 1.087 473 A CA -0.144 51.885 52.037 -0.014 0.000 0.802 473 A CB -0.085 18.902 19.000 -0.020 0.000 1.042 473 A HN 1.089 nan 8.150 nan 0.000 0.489 474 H N -0.427 118.642 119.070 -0.001 0.000 3.016 474 H HA 0.047 4.557 4.556 -0.077 0.000 0.345 474 H C -0.798 174.585 175.328 0.092 0.000 1.066 474 H CA 1.141 57.223 56.048 0.056 0.000 1.390 474 H CB 0.056 29.842 29.762 0.040 0.000 1.344 474 H HN 0.549 nan 8.280 nan 0.000 0.605 475 Y N 5.421 125.459 120.300 -0.437 0.000 2.477 475 Y HA 0.100 4.605 4.550 -0.076 0.000 0.349 475 Y C 0.324 176.149 175.900 -0.125 0.000 0.977 475 Y CA -0.269 57.701 58.100 -0.216 0.000 1.214 475 Y CB 0.468 38.870 38.460 -0.096 0.000 1.124 475 Y HN 0.792 nan 8.280 nan 0.000 0.521 476 D N 4.747 125.121 120.400 -0.043 0.000 2.197 476 D HA -0.013 4.580 4.640 -0.077 0.000 0.212 476 D C 0.444 176.761 176.300 0.029 0.000 0.963 476 D CA 0.933 54.990 54.000 0.095 0.000 0.864 476 D CB 0.340 41.169 40.800 0.048 0.000 1.009 476 D HN 0.587 nan 8.370 nan 0.000 0.479 477 R N 0.487 120.899 120.500 -0.147 0.000 2.764 477 R HA 0.317 4.611 4.340 -0.077 0.000 0.270 477 R C -1.328 174.788 176.300 -0.307 0.000 1.014 477 R CA -0.693 55.349 56.100 -0.097 0.000 0.904 477 R CB 0.978 31.245 30.300 -0.055 0.000 1.236 477 R HN -0.339 nan 8.270 nan 0.000 0.466 478 D N 1.516 121.879 120.400 -0.063 0.000 2.472 478 D HA 0.128 4.722 4.640 -0.077 0.000 0.237 478 D C 0.200 176.414 176.300 -0.143 0.000 1.141 478 D CA 0.598 54.594 54.000 -0.008 0.000 0.875 478 D CB 0.735 41.623 40.800 0.146 0.000 1.192 478 D HN 0.506 nan 8.370 nan 0.000 0.450 479 R N 0.320 120.743 120.500 -0.128 0.000 2.781 479 R HA 0.424 4.718 4.340 -0.077 0.000 0.268 479 R C -0.666 175.714 176.300 0.134 0.000 1.047 479 R CA -0.972 55.091 56.100 -0.062 0.000 0.925 479 R CB 0.373 30.556 30.300 -0.196 0.000 1.246 479 R HN 0.124 nan 8.270 nan 0.000 0.456 480 F N 1.840 121.768 119.950 -0.037 0.000 2.590 480 F HA 0.124 4.604 4.527 -0.078 0.000 0.389 480 F C 0.175 175.992 175.800 0.029 0.000 1.049 480 F CA -0.997 57.012 58.000 0.015 0.000 1.199 480 F CB 0.161 39.154 39.000 -0.011 0.000 1.058 480 F HN 0.614 nan 8.300 nan 0.000 0.556 481 F N 5.104 125.190 119.950 0.226 0.000 2.387 481 F HA 0.113 4.594 4.527 -0.076 0.000 0.294 481 F C 2.108 177.795 175.800 -0.188 0.000 1.093 481 F CA 1.217 59.213 58.000 -0.007 0.000 1.420 481 F CB -0.569 38.411 39.000 -0.034 0.000 1.086 481 F HN 0.594 nan 8.300 nan 0.000 0.531 482 A N 1.406 124.219 122.820 -0.012 0.000 1.894 482 A HA -0.257 4.017 4.320 -0.077 0.000 0.220 482 A C -0.205 177.192 177.584 -0.311 0.000 1.237 482 A CA 2.505 54.430 52.037 -0.186 0.000 0.660 482 A CB -2.308 16.552 19.000 -0.232 0.000 0.835 482 A HN 0.302 nan 8.150 nan 0.000 0.461 483 P HA -0.107 nan 4.420 nan 0.000 0.219 483 P C 0.376 177.524 177.300 -0.253 0.000 1.146 483 P CA 1.471 64.327 63.100 -0.406 0.000 0.808 483 P CB -0.169 31.241 31.700 -0.482 0.000 0.779 484 D N -0.898 119.349 120.400 -0.256 0.000 2.149 484 D HA -0.044 4.550 4.640 -0.077 0.000 0.201 484 D C 2.050 178.284 176.300 -0.110 0.000 0.972 484 D CA 0.780 54.653 54.000 -0.212 0.000 0.835 484 D CB -0.577 40.026 40.800 -0.328 0.000 0.966 484 D HN 0.212 nan 8.370 nan 0.000 0.476 485 I N 1.162 121.710 120.570 -0.036 0.000 2.202 485 I HA -0.214 3.910 4.170 -0.077 0.000 0.242 485 I C 2.393 178.510 176.117 -0.001 0.000 1.091 485 I CA 1.043 62.361 61.300 0.029 0.000 1.368 485 I CB -0.131 37.910 38.000 0.067 0.000 1.058 485 I HN -0.051 nan 8.210 nan 0.000 0.410 486 E N 0.960 121.136 120.200 -0.039 0.000 2.049 486 E HA -0.293 4.011 4.350 -0.077 0.000 0.198 486 E C 2.205 178.784 176.600 -0.035 0.000 1.007 486 E CA 1.587 57.963 56.400 -0.041 0.000 0.809 486 E CB -0.069 29.585 29.700 -0.076 0.000 0.749 486 E HN 0.426 nan 8.360 nan 0.000 0.450 487 K N -0.065 120.297 120.400 -0.063 0.000 2.097 487 K HA -0.111 4.163 4.320 -0.077 0.000 0.206 487 K C 2.076 178.653 176.600 -0.038 0.000 1.049 487 K CA 0.997 57.248 56.287 -0.061 0.000 0.933 487 K CB -0.069 32.372 32.500 -0.098 0.000 0.717 487 K HN 0.058 nan 8.250 nan 0.000 0.442 488 A N 0.823 123.621 122.820 -0.036 0.000 1.929 488 A HA -0.070 4.204 4.320 -0.077 0.000 0.216 488 A C 2.310 179.999 177.584 0.176 0.000 1.176 488 A CA 0.964 53.015 52.037 0.024 0.000 0.628 488 A CB -0.403 18.607 19.000 0.015 0.000 0.816 488 A HN 0.050 nan 8.150 nan 0.000 0.444 489 V N 0.117 120.094 119.914 0.104 0.000 2.295 489 V HA -0.221 3.852 4.120 -0.077 0.000 0.246 489 V C 2.664 178.800 176.094 0.070 0.000 1.049 489 V CA 2.426 64.781 62.300 0.090 0.000 1.024 489 V CB -0.551 31.299 31.823 0.045 0.000 0.648 489 V HN 0.684 nan 8.190 nan 0.000 0.447 490 E N 0.397 120.624 120.200 0.046 0.000 2.085 490 E HA -0.205 4.099 4.350 -0.077 0.000 0.194 490 E C 2.045 178.681 176.600 0.060 0.000 0.994 490 E CA 1.552 57.969 56.400 0.029 0.000 0.801 490 E CB -0.508 29.197 29.700 0.007 0.000 0.743 490 E HN 0.540 nan 8.360 nan 0.000 0.453 491 L N -0.157 121.135 121.223 0.114 0.000 2.012 491 L HA -0.210 4.084 4.340 -0.077 0.000 0.210 491 L C 2.597 179.578 176.870 0.186 0.000 1.073 491 L CA 1.171 56.123 54.840 0.187 0.000 0.748 491 L CB -0.424 41.824 42.059 0.314 0.000 0.891 491 L HN 0.226 nan 8.230 nan 0.000 0.431 492 L N -0.721 120.621 121.223 0.199 0.000 2.046 492 L HA -0.206 4.088 4.340 -0.077 0.000 0.208 492 L C 2.798 179.676 176.870 0.013 0.000 1.077 492 L CA 1.188 56.065 54.840 0.063 0.000 0.747 492 L CB -0.699 41.396 42.059 0.059 0.000 0.896 492 L HN 0.259 nan 8.230 nan 0.000 0.432 493 A N -0.349 122.478 122.820 0.010 0.000 2.019 493 A HA -0.184 4.090 4.320 -0.077 0.000 0.219 493 A C 2.183 179.759 177.584 -0.013 0.000 1.164 493 A CA 1.352 53.369 52.037 -0.033 0.000 0.644 493 A CB -0.284 18.680 19.000 -0.059 0.000 0.805 493 A HN 0.310 nan 8.150 nan 0.000 0.449 494 K N -1.388 119.017 120.400 0.008 0.000 2.487 494 K HA 0.186 4.460 4.320 -0.077 0.000 0.192 494 K C 0.870 177.475 176.600 0.009 0.000 1.027 494 K CA 0.459 56.751 56.287 0.008 0.000 1.054 494 K CB -0.081 32.429 32.500 0.017 0.000 0.824 494 K HN 0.643 nan 8.250 nan 0.000 0.510 495 G N 1.076 109.879 108.800 0.006 0.000 2.149 495 G HA2 -0.258 3.656 3.960 -0.077 0.000 0.235 495 G HA3 -0.258 3.656 3.960 -0.077 0.000 0.235 495 G C 0.718 175.611 174.900 -0.011 0.000 1.018 495 G CA 0.455 45.551 45.100 -0.007 0.000 0.728 495 G HN 0.257 nan 8.290 nan 0.000 0.508 496 S N -0.524 115.181 115.700 0.008 0.000 2.374 496 S HA -0.069 4.355 4.470 -0.077 0.000 0.227 496 S C 2.210 176.781 174.600 -0.049 0.000 1.037 496 S CA 1.505 59.724 58.200 0.031 0.000 1.024 496 S CB -0.127 63.170 63.200 0.161 0.000 0.861 496 S HN 0.524 nan 8.310 nan 0.000 0.456 497 L N 0.899 122.026 121.223 -0.161 0.000 2.529 497 L HA 0.053 4.347 4.340 -0.077 0.000 0.223 497 L C 2.223 179.011 176.870 -0.137 0.000 1.113 497 L CA 0.405 55.114 54.840 -0.217 0.000 0.861 497 L CB -0.738 41.056 42.059 -0.443 0.000 1.012 497 L HN 0.287 nan 8.230 nan 0.000 0.461 498 T N 0.182 114.684 114.554 -0.087 0.000 2.635 498 T HA -0.197 4.107 4.350 -0.077 0.000 0.267 498 T C 1.969 176.642 174.700 -0.044 0.000 1.040 498 T CA 1.654 63.723 62.100 -0.051 0.000 1.156 498 T CB -0.620 68.234 68.868 -0.022 0.000 0.863 498 T HN 0.539 nan 8.240 nan 0.000 0.430 499 G N 1.388 110.165 108.800 -0.038 0.000 2.485 499 G HA2 -0.178 3.736 3.960 -0.077 0.000 0.221 499 G HA3 -0.178 3.736 3.960 -0.077 0.000 0.221 499 G C 1.453 176.330 174.900 -0.037 0.000 1.115 499 G CA 0.614 45.695 45.100 -0.031 0.000 0.751 499 G HN 0.478 nan 8.290 nan 0.000 0.567 500 L N -0.618 120.572 121.223 -0.054 0.000 2.141 500 L HA 0.107 4.401 4.340 -0.077 0.000 0.209 500 L C 1.414 178.245 176.870 -0.065 0.000 1.094 500 L CA -0.351 54.453 54.840 -0.061 0.000 0.763 500 L CB -0.477 41.531 42.059 -0.085 0.000 0.908 500 L HN 0.164 nan 8.230 nan 0.000 0.437 501 L N 1.501 122.685 121.223 -0.065 0.000 2.490 501 L HA 0.128 4.422 4.340 -0.077 0.000 0.274 501 L C -1.782 175.067 176.870 -0.035 0.000 1.201 501 L CA -1.221 53.586 54.840 -0.054 0.000 0.869 501 L CB -0.068 41.978 42.059 -0.022 0.000 1.123 501 L HN -0.171 nan 8.230 nan 0.000 0.484 502 P HA 0.156 nan 4.420 nan 0.000 0.271 502 P C -1.143 176.149 177.300 -0.014 0.000 1.233 502 P CA -0.438 62.649 63.100 -0.022 0.000 0.789 502 P CB 0.329 32.018 31.700 -0.019 0.000 0.951 503 A N 0.618 123.431 122.820 -0.012 0.000 2.386 503 A HA 0.481 4.755 4.320 -0.077 0.000 0.248 503 A C 1.288 178.866 177.584 -0.010 0.000 1.082 503 A CA 0.266 52.297 52.037 -0.010 0.000 0.789 503 A CB -1.154 17.841 19.000 -0.009 0.000 1.025 503 A HN 0.896 nan 8.150 nan 0.000 0.490 504 G N 0.215 109.008 108.800 -0.012 0.000 2.249 504 G HA2 -0.177 3.737 3.960 -0.077 0.000 0.273 504 G HA3 -0.177 3.737 3.960 -0.077 0.000 0.273 504 G C 0.504 175.392 174.900 -0.021 0.000 1.036 504 G CA 0.517 45.609 45.100 -0.013 0.000 0.824 504 G HN 1.150 nan 8.290 nan 0.000 0.504 505 V N -0.712 119.185 119.914 -0.029 0.000 2.521 505 V HA 0.335 4.408 4.120 -0.077 0.000 0.239 505 V C 1.625 177.661 176.094 -0.096 0.000 1.053 505 V CA 1.237 63.506 62.300 -0.051 0.000 1.073 505 V CB -0.038 31.764 31.823 -0.035 0.000 0.746 505 V HN 0.347 nan 8.190 nan 0.000 0.476 506 L N 0.757 121.927 121.223 -0.088 0.000 2.343 506 L HA 0.304 4.597 4.340 -0.077 0.000 0.275 506 L C -1.389 175.455 176.870 -0.044 0.000 1.056 506 L CA -1.592 53.185 54.840 -0.105 0.000 0.804 506 L CB 1.211 43.219 42.059 -0.085 0.000 1.203 506 L HN 0.043 nan 8.230 nan 0.000 0.440 507 P HA -0.195 nan 4.420 nan 0.000 0.216 507 P C 1.145 178.464 177.300 0.031 0.000 1.157 507 P CA 1.359 64.460 63.100 0.001 0.000 0.880 507 P CB 0.160 31.864 31.700 0.007 0.000 0.791 508 S N -2.891 112.849 115.700 0.066 0.000 2.577 508 S HA 0.206 4.629 4.470 -0.077 0.000 0.219 508 S C 0.540 175.142 174.600 0.005 0.000 0.962 508 S CA -0.267 57.973 58.200 0.068 0.000 0.921 508 S CB -0.796 62.499 63.200 0.159 0.000 0.789 508 S HN -0.059 nan 8.310 nan 0.000 0.497 509 L N 0.000 121.224 121.223 0.001 0.000 2.949 509 L HA 0.000 4.294 4.340 -0.077 0.000 0.249 509 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 509 L CB 0.000 42.054 42.059 -0.008 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502