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 2p20_1_B DATA FIRST_RESID 6 DATA SEQUENCE KHAIPANIAD RCLINPEQYE TKYKQSINDP DTFWGEQGKI LDWITPYQKV DATA SEQUENCE KNTSFAPGNV SIKWYEDGTL NLAANCLDRH LQENGDRTAI IWEGDDTSQS DATA SEQUENCE KHISYRELHR DVCRFANTLL DLGIKKGDVV AIYMPMVPEA AVAMLACARI DATA SEQUENCE GAVHSVIFGG FSPEAVAGRI IDSSSRLVIT ADEGVRAGRS IPLKKNVDDA DATA SEQUENCE LKNPNVTSVE HVIVLKRTGS DIDWQEGRDL WWRDLIEKAS PEHQPEAMNA DATA SEQUENCE EDPLFILYTS GSTGKPKGVL HTTGGYLVYA ATTFKYVFDY HPGDIYWCTA DATA SEQUENCE DVGWVTGHSY LLYGPLACGA TTLMFEGVPN WPTPARMCQV VDKHQVNILY DATA SEQUENCE TAPTAIRALM AEGDKAIEGT DRSSLRILGS VGEPINPEAW EWYWKKIGKE DATA SEQUENCE KCPVVDTWWQ TETGGFMITP LPGAIELKAG SATRPFFGVQ PALVDNEGHP DATA SEQUENCE QEGATEGNLV ITDSWPGQAR TLFGDHERFE QTYFSTFKNM YFSGDGARRD DATA SEQUENCE EDGYYWITGR VDDVLNVSGH RLGTAEIESA LVAHPKIAEA AVVGIPHAIK DATA SEQUENCE GQAIYAYVTL NHGEEPSPEL YAEVRNWVAK EIGPLATPDV LHWTDSLPKT DATA SEQUENCE RSGKIMRRIL RKIAAGDXXX XXXXXTLADP GVVEKLLEEK QAI 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.372 176.600 -0.379 0.000 0.988 6 K CA 0.000 56.140 56.287 -0.244 0.000 0.838 6 K CB 0.000 32.407 32.500 -0.155 0.000 1.064 7 H N 0.403 119.393 119.070 -0.133 0.000 2.638 7 H HA 0.361 4.917 4.556 0.001 0.000 0.317 7 H C -0.545 174.789 175.328 0.011 0.000 1.006 7 H CA -0.465 55.533 56.048 -0.083 0.000 1.222 7 H CB 1.706 31.391 29.762 -0.128 0.000 1.419 7 H HN 0.739 nan 8.280 nan 0.000 0.489 8 A N 4.065 126.956 122.820 0.118 0.000 2.425 8 A HA 0.223 4.543 4.320 0.001 0.000 0.242 8 A C 0.576 178.247 177.584 0.145 0.000 1.077 8 A CA -0.448 51.651 52.037 0.104 0.000 0.781 8 A CB 0.077 19.120 19.000 0.073 0.000 1.020 8 A HN 0.728 nan 8.150 nan 0.000 0.494 9 I N 3.098 123.733 120.570 0.109 0.000 2.587 9 I HA 0.118 4.289 4.170 0.001 0.000 0.284 9 I C -1.519 174.660 176.117 0.102 0.000 1.134 9 I CA -0.938 60.425 61.300 0.106 0.000 1.410 9 I CB 0.391 38.437 38.000 0.076 0.000 1.392 9 I HN 0.496 nan 8.210 nan 0.000 0.545 10 P HA 0.124 nan 4.420 nan 0.000 0.275 10 P C 0.397 177.732 177.300 0.058 0.000 1.228 10 P CA -0.396 62.758 63.100 0.089 0.000 0.786 10 P CB 1.201 32.955 31.700 0.089 0.000 0.927 11 A N 3.839 126.687 122.820 0.046 0.000 1.927 11 A HA -0.275 4.046 4.320 0.001 0.000 0.220 11 A C 1.977 179.574 177.584 0.022 0.000 1.185 11 A CA 2.183 54.239 52.037 0.033 0.000 0.639 11 A CB -1.389 17.626 19.000 0.026 0.000 0.820 11 A HN 0.776 nan 8.150 nan 0.000 0.451 12 N N 0.379 119.086 118.700 0.012 0.000 2.104 12 N HA -0.172 4.569 4.740 0.001 0.000 0.190 12 N C 1.487 176.995 175.510 -0.003 0.000 1.024 12 N CA 2.017 55.064 53.050 -0.005 0.000 0.853 12 N CB -0.528 37.947 38.487 -0.021 0.000 1.008 12 N HN 0.411 nan 8.380 nan 0.000 0.424 13 I N 1.625 122.203 120.570 0.015 0.000 2.286 13 I HA -0.016 4.154 4.170 0.001 0.000 0.245 13 I C 2.760 178.905 176.117 0.047 0.000 1.104 13 I CA 0.719 62.036 61.300 0.029 0.000 1.397 13 I CB -1.678 36.350 38.000 0.046 0.000 1.072 13 I HN 0.175 nan 8.210 nan 0.000 0.417 14 A N 1.030 123.879 122.820 0.047 0.000 1.892 14 A HA -0.245 4.076 4.320 0.001 0.000 0.218 14 A C 1.926 179.540 177.584 0.049 0.000 1.188 14 A CA 2.234 54.302 52.037 0.051 0.000 0.631 14 A CB -0.734 18.293 19.000 0.046 0.000 0.822 14 A HN 0.370 nan 8.150 nan 0.000 0.447 15 D N -1.032 119.389 120.400 0.036 0.000 2.264 15 D HA -0.104 4.536 4.640 0.001 0.000 0.208 15 D C 1.967 178.293 176.300 0.043 0.000 0.966 15 D CA 1.485 55.504 54.000 0.033 0.000 0.864 15 D CB -0.136 40.674 40.800 0.017 0.000 0.933 15 D HN 0.824 nan 8.370 nan 0.000 0.499 16 R N 0.091 120.618 120.500 0.045 0.000 2.487 16 R HA 0.129 4.470 4.340 0.001 0.000 0.272 16 R C 0.780 177.198 176.300 0.196 0.000 0.928 16 R CA -0.228 55.914 56.100 0.071 0.000 1.077 16 R CB -0.690 29.558 30.300 -0.087 0.000 1.265 16 R HN 0.142 nan 8.270 nan 0.000 0.537 17 C N 0.823 120.216 119.300 0.155 0.000 2.657 17 C HA 0.240 4.701 4.460 0.001 0.000 0.420 17 C C 1.902 177.007 174.990 0.191 0.000 1.323 17 C CA -0.846 58.287 59.018 0.191 0.000 1.894 17 C CB -0.028 27.791 27.740 0.132 0.000 2.681 17 C HN 0.500 nan 8.230 nan 0.000 0.613 18 L N 2.108 123.454 121.223 0.206 0.000 2.141 18 L HA 0.139 4.479 4.340 0.001 0.000 0.209 18 L C 0.841 177.797 176.870 0.143 0.000 1.094 18 L CA 1.243 56.192 54.840 0.181 0.000 0.763 18 L CB -0.364 41.851 42.059 0.260 0.000 0.908 18 L HN 0.708 nan 8.230 nan 0.000 0.437 19 I N 0.489 121.137 120.570 0.129 0.000 2.468 19 I HA 0.132 4.303 4.170 0.001 0.000 0.284 19 I C -0.721 175.458 176.117 0.104 0.000 1.038 19 I CA -0.794 60.556 61.300 0.083 0.000 1.083 19 I CB 1.586 39.617 38.000 0.053 0.000 1.223 19 I HN 0.119 nan 8.210 nan 0.000 0.443 20 N N 6.717 125.472 118.700 0.091 0.000 2.413 20 N HA 0.438 5.178 4.740 0.001 0.000 0.266 20 N C -2.296 173.278 175.510 0.107 0.000 1.238 20 N CA -1.701 51.401 53.050 0.087 0.000 0.972 20 N CB 0.095 38.624 38.487 0.070 0.000 1.210 20 N HN 0.090 nan 8.380 nan 0.000 0.547 21 P HA -0.213 nan 4.420 nan 0.000 0.215 21 P C 1.014 178.401 177.300 0.144 0.000 1.157 21 P CA 1.636 64.799 63.100 0.105 0.000 0.874 21 P CB 0.110 31.852 31.700 0.069 0.000 0.790 22 E N -0.430 119.829 120.200 0.098 0.000 2.110 22 E HA -0.237 4.113 4.350 0.001 0.000 0.193 22 E C 2.036 178.677 176.600 0.068 0.000 0.988 22 E CA 1.070 57.517 56.400 0.078 0.000 0.804 22 E CB -0.196 29.534 29.700 0.050 0.000 0.745 22 E HN 0.303 nan 8.360 nan 0.000 0.458 23 Q N -0.730 119.112 119.800 0.069 0.000 2.079 23 Q HA -0.194 4.147 4.340 0.001 0.000 0.200 23 Q C 1.959 177.989 176.000 0.050 0.000 0.974 23 Q CA 1.491 57.312 55.803 0.029 0.000 0.840 23 Q CB -0.299 28.451 28.738 0.020 0.000 0.898 23 Q HN 0.403 nan 8.270 nan 0.000 0.430 24 Y N 2.056 122.395 120.300 0.064 0.000 2.097 24 Y HA -0.285 4.265 4.550 0.001 0.000 0.282 24 Y C 2.102 178.092 175.900 0.150 0.000 1.152 24 Y CA 1.688 59.892 58.100 0.173 0.000 1.136 24 Y CB 0.046 38.565 38.460 0.099 0.000 0.975 24 Y HN 0.016 nan 8.280 nan 0.000 0.498 25 E N -0.329 119.947 120.200 0.127 0.000 2.085 25 E HA -0.175 4.176 4.350 0.001 0.000 0.194 25 E C 2.196 178.764 176.600 -0.053 0.000 0.994 25 E CA 1.935 58.364 56.400 0.048 0.000 0.801 25 E CB -0.704 29.068 29.700 0.120 0.000 0.743 25 E HN 0.546 nan 8.360 nan 0.000 0.453 26 T N 1.531 116.045 114.554 -0.066 0.000 2.701 26 T HA -0.093 4.258 4.350 0.001 0.000 0.263 26 T C 1.907 176.479 174.700 -0.214 0.000 1.040 26 T CA 1.272 63.310 62.100 -0.104 0.000 1.147 26 T CB -0.077 68.747 68.868 -0.073 0.000 0.865 26 T HN 0.141 nan 8.240 nan 0.000 0.426 27 K N 0.055 120.251 120.400 -0.340 0.000 2.057 27 K HA -0.105 4.215 4.320 0.001 0.000 0.207 27 K C 2.164 178.279 176.600 -0.809 0.000 1.049 27 K CA 1.289 57.207 56.287 -0.615 0.000 0.931 27 K CB -0.349 31.487 32.500 -1.106 0.000 0.714 27 K HN 0.340 nan 8.250 nan 0.000 0.440 28 Y N 2.189 122.071 120.300 -0.696 0.000 2.097 28 Y HA -0.345 4.206 4.550 0.001 0.000 0.282 28 Y C 2.609 178.276 175.900 -0.388 0.000 1.152 28 Y CA 2.808 60.602 58.100 -0.509 0.000 1.136 28 Y CB -0.531 37.576 38.460 -0.589 0.000 0.975 28 Y HN 0.022 nan 8.280 nan 0.000 0.498 29 K N 0.581 120.820 120.400 -0.269 0.000 2.032 29 K HA -0.260 4.060 4.320 0.001 0.000 0.209 29 K C 2.118 178.540 176.600 -0.296 0.000 1.048 29 K CA 1.973 58.126 56.287 -0.223 0.000 0.927 29 K CB -1.213 31.239 32.500 -0.079 0.000 0.712 29 K HN 0.695 nan 8.250 nan 0.000 0.441 30 Q N 0.519 120.134 119.800 -0.307 0.000 2.124 30 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 30 Q C 2.349 178.137 176.000 -0.354 0.000 0.977 30 Q CA 2.044 57.703 55.803 -0.241 0.000 0.850 30 Q CB -0.167 28.498 28.738 -0.122 0.000 0.901 30 Q HN 0.801 nan 8.270 nan 0.000 0.429 31 S N -0.641 114.603 115.700 -0.761 0.000 2.453 31 S HA -0.056 4.414 4.470 0.001 0.000 0.231 31 S C 1.713 176.083 174.600 -0.382 0.000 1.005 31 S CA 0.449 58.112 58.200 -0.895 0.000 0.949 31 S CB -0.013 62.236 63.200 -1.584 0.000 0.774 31 S HN 0.276 nan 8.310 nan 0.000 0.510 32 I N 2.769 123.085 120.570 -0.424 0.000 2.512 32 I HA 0.111 4.281 4.170 0.001 0.000 0.247 32 I C 1.751 177.804 176.117 -0.108 0.000 1.094 32 I CA 0.622 61.773 61.300 -0.247 0.000 1.427 32 I CB -1.582 36.210 38.000 -0.345 0.000 1.149 32 I HN 0.276 nan 8.210 nan 0.000 0.438 33 N N 0.514 119.142 118.700 -0.121 0.000 2.409 33 N HA -0.095 4.645 4.740 0.001 0.000 0.179 33 N C 0.261 175.756 175.510 -0.026 0.000 1.032 33 N CA 0.879 53.896 53.050 -0.056 0.000 0.898 33 N CB 0.152 38.606 38.487 -0.055 0.000 0.971 33 N HN 0.293 nan 8.380 nan 0.000 0.441 34 D N -0.888 119.498 120.400 -0.023 0.000 2.968 34 D HA 0.157 4.797 4.640 0.001 0.000 0.301 34 D C -2.006 174.354 176.300 0.101 0.000 1.226 34 D CA -1.446 52.571 54.000 0.029 0.000 0.746 34 D CB 0.850 41.661 40.800 0.019 0.000 1.278 34 D HN -0.060 nan 8.370 nan 0.000 0.544 35 P HA -0.097 nan 4.420 nan 0.000 0.218 35 P C 0.984 178.536 177.300 0.420 0.000 1.148 35 P CA 0.801 64.133 63.100 0.387 0.000 0.822 35 P CB 0.683 32.669 31.700 0.476 0.000 0.784 36 D N -0.573 119.958 120.400 0.218 0.000 2.097 36 D HA -0.103 4.537 4.640 0.001 0.000 0.195 36 D C 1.931 178.342 176.300 0.186 0.000 0.989 36 D CA 1.530 55.627 54.000 0.161 0.000 0.827 36 D CB -0.821 40.015 40.800 0.060 0.000 0.966 36 D HN 0.155 nan 8.370 nan 0.000 0.456 37 T N 0.383 115.026 114.554 0.148 0.000 2.770 37 T HA -0.098 4.253 4.350 0.001 0.000 0.263 37 T C 1.731 176.499 174.700 0.113 0.000 1.039 37 T CA 0.531 62.700 62.100 0.114 0.000 1.142 37 T CB -0.446 68.464 68.868 0.071 0.000 0.868 37 T HN 0.101 nan 8.240 nan 0.000 0.435 38 F N 0.483 120.416 119.950 -0.028 0.000 2.026 38 F HA -0.096 4.432 4.527 0.001 0.000 0.296 38 F C 1.849 177.585 175.800 -0.108 0.000 1.133 38 F CA 1.333 59.223 58.000 -0.183 0.000 1.188 38 F CB -0.482 38.279 39.000 -0.398 0.000 0.968 38 F HN 0.194 nan 8.300 nan 0.000 0.476 39 W N 0.405 121.897 121.300 0.321 0.000 2.525 39 W HA 0.055 4.715 4.660 0.001 0.000 0.259 39 W C 2.533 179.221 176.519 0.282 0.000 1.253 39 W CA 0.708 58.232 57.345 0.298 0.000 1.262 39 W CB -0.936 28.780 29.460 0.427 0.000 1.122 39 W HN 0.179 nan 8.180 nan 0.000 0.607 40 G N 0.648 109.686 108.800 0.397 0.000 2.421 40 G HA2 -0.246 3.714 3.960 0.001 0.000 0.216 40 G HA3 -0.246 3.714 3.960 0.001 0.000 0.216 40 G C 1.228 176.324 174.900 0.327 0.000 1.171 40 G CA 1.150 46.494 45.100 0.407 0.000 0.775 40 G HN 0.282 nan 8.290 nan 0.000 0.543 41 E N -0.471 119.799 120.200 0.117 0.000 2.046 41 E HA -0.105 4.246 4.350 0.001 0.000 0.190 41 E C 2.515 179.130 176.600 0.025 0.000 0.982 41 E CA 0.999 57.414 56.400 0.024 0.000 0.800 41 E CB -0.096 29.550 29.700 -0.089 0.000 0.756 41 E HN 0.321 nan 8.360 nan 0.000 0.449 42 Q N 0.530 120.280 119.800 -0.082 0.000 2.167 42 Q HA -0.071 4.269 4.340 0.001 0.000 0.202 42 Q C 1.968 178.123 176.000 0.259 0.000 0.970 42 Q CA 1.681 57.472 55.803 -0.020 0.000 0.855 42 Q CB -0.649 27.897 28.738 -0.320 0.000 0.911 42 Q HN 0.289 nan 8.270 nan 0.000 0.438 43 G N 0.341 109.378 108.800 0.396 0.000 2.501 43 G HA2 -0.219 3.741 3.960 0.001 0.000 0.220 43 G HA3 -0.219 3.741 3.960 0.001 0.000 0.220 43 G C 1.095 176.259 174.900 0.440 0.000 1.114 43 G CA 0.519 45.841 45.100 0.369 0.000 0.757 43 G HN 0.262 nan 8.290 nan 0.000 0.559 44 K N 0.145 120.732 120.400 0.312 0.000 2.555 44 K HA 0.140 4.460 4.320 0.001 0.000 0.193 44 K C 1.938 178.656 176.600 0.196 0.000 1.032 44 K CA -0.107 56.326 56.287 0.243 0.000 1.004 44 K CB -0.054 32.518 32.500 0.120 0.000 0.804 44 K HN 0.450 nan 8.250 nan 0.000 0.496 45 I N 0.962 121.643 120.570 0.185 0.000 2.530 45 I HA -0.160 4.010 4.170 0.001 0.000 0.257 45 I C 0.232 176.398 176.117 0.083 0.000 1.179 45 I CA 0.772 62.143 61.300 0.117 0.000 1.440 45 I CB 0.267 38.331 38.000 0.107 0.000 1.087 45 I HN 0.020 nan 8.210 nan 0.000 0.440 46 L N 0.482 121.774 121.223 0.114 0.000 2.330 46 L HA 0.375 4.716 4.340 0.001 0.000 0.271 46 L C -0.681 176.168 176.870 -0.036 0.000 1.013 46 L CA -1.136 53.675 54.840 -0.050 0.000 0.816 46 L CB 1.054 42.961 42.059 -0.253 0.000 1.287 46 L HN -0.135 nan 8.230 nan 0.000 0.435 47 D N 0.648 120.955 120.400 -0.154 0.000 2.350 47 D HA 0.242 4.882 4.640 0.001 0.000 0.249 47 D C -1.090 175.059 176.300 -0.252 0.000 1.119 47 D CA 0.344 54.286 54.000 -0.096 0.000 0.886 47 D CB 0.748 41.483 40.800 -0.108 0.000 1.195 47 D HN 0.166 nan 8.370 nan 0.000 0.437 48 W N 1.913 123.186 121.300 -0.045 0.000 2.587 48 W HA 0.398 5.058 4.660 0.001 0.000 0.324 48 W C 1.152 177.651 176.519 -0.034 0.000 1.040 48 W CA -0.676 56.649 57.345 -0.034 0.000 1.222 48 W CB 0.679 30.107 29.460 -0.054 0.000 1.381 48 W HN 0.305 nan 8.180 nan 0.000 0.483 49 I N 1.376 122.041 120.570 0.157 0.000 2.086 49 I HA -0.147 4.024 4.170 0.001 0.000 0.233 49 I C 1.517 177.705 176.117 0.119 0.000 1.060 49 I CA 1.336 62.697 61.300 0.101 0.000 1.326 49 I CB -0.598 37.439 38.000 0.061 0.000 1.067 49 I HN 0.372 nan 8.210 nan 0.000 0.398 50 T N -0.121 114.524 114.554 0.151 0.000 2.749 50 T HA 0.439 4.790 4.350 0.001 0.000 0.287 50 T C -2.548 172.233 174.700 0.134 0.000 0.970 50 T CA -2.152 60.016 62.100 0.114 0.000 0.980 50 T CB 1.200 70.122 68.868 0.090 0.000 0.924 50 T HN -0.157 nan 8.240 nan 0.000 0.456 51 P HA 0.176 nan 4.420 nan 0.000 0.271 51 P C -0.432 176.721 177.300 -0.245 0.000 1.218 51 P CA -0.487 62.483 63.100 -0.218 0.000 0.780 51 P CB 0.071 31.607 31.700 -0.273 0.000 0.901 52 Y N 0.229 120.324 120.300 -0.343 0.000 2.314 52 Y HA 0.315 4.866 4.550 0.001 0.000 0.334 52 Y C 1.264 177.090 175.900 -0.123 0.000 1.266 52 Y CA -0.078 57.884 58.100 -0.230 0.000 1.391 52 Y CB 0.114 38.386 38.460 -0.313 0.000 1.306 52 Y HN 0.297 nan 8.280 nan 0.000 0.558 53 Q N 0.731 120.631 119.800 0.166 0.000 2.620 53 Q HA 0.191 4.532 4.340 0.001 0.000 0.232 53 Q C -0.264 175.815 176.000 0.132 0.000 0.836 53 Q CA 0.276 56.150 55.803 0.118 0.000 0.938 53 Q CB 0.225 28.988 28.738 0.042 0.000 1.242 53 Q HN 0.742 nan 8.270 nan 0.000 0.624 54 K N 1.185 121.631 120.400 0.077 0.000 2.412 54 K HA 0.141 4.461 4.320 0.001 0.000 0.281 54 K C 0.729 177.302 176.600 -0.045 0.000 1.027 54 K CA -0.224 56.063 56.287 -0.000 0.000 0.989 54 K CB 1.229 33.707 32.500 -0.038 0.000 0.935 54 K HN -0.109 nan 8.250 nan 0.000 0.475 55 V N 2.882 122.720 119.914 -0.127 0.000 2.785 55 V HA 0.037 4.158 4.120 0.001 0.000 0.226 55 V C 0.281 176.079 176.094 -0.494 0.000 1.127 55 V CA 0.378 62.505 62.300 -0.289 0.000 1.193 55 V CB -0.047 31.711 31.823 -0.109 0.000 0.926 55 V HN 0.623 nan 8.190 nan 0.000 0.507 56 K N 2.052 122.136 120.400 -0.526 0.000 2.234 56 K HA 0.285 4.605 4.320 0.001 0.000 0.277 56 K C -0.795 175.402 176.600 -0.672 0.000 1.038 56 K CA -0.144 55.551 56.287 -0.987 0.000 0.888 56 K CB 0.386 32.355 32.500 -0.886 0.000 1.091 56 K HN 0.342 nan 8.250 nan 0.000 0.467 57 N N 3.242 121.498 118.700 -0.739 0.000 2.727 57 N HA 0.133 4.873 4.740 0.001 0.000 0.252 57 N C -1.969 173.291 175.510 -0.417 0.000 1.283 57 N CA -0.312 52.473 53.050 -0.442 0.000 0.782 57 N CB 1.205 39.514 38.487 -0.297 0.000 1.199 57 N HN 0.692 nan 8.380 nan 0.000 0.520 58 T N -1.584 112.733 114.554 -0.395 0.000 2.903 58 T HA 0.780 5.131 4.350 0.001 0.000 0.299 58 T C -0.903 173.660 174.700 -0.228 0.000 1.093 58 T CA -0.769 61.146 62.100 -0.309 0.000 1.002 58 T CB 1.816 70.459 68.868 -0.375 0.000 1.127 58 T HN 0.093 nan 8.240 nan 0.000 0.488 59 S N 0.566 116.187 115.700 -0.133 0.000 2.543 59 S HA 0.544 5.014 4.470 0.001 0.000 0.271 59 S C -0.833 173.836 174.600 0.115 0.000 1.148 59 S CA -0.907 57.245 58.200 -0.080 0.000 0.914 59 S CB 0.846 64.021 63.200 -0.042 0.000 1.096 59 S HN 0.733 nan 8.310 nan 0.000 0.471 60 F N 2.246 122.166 119.950 -0.050 0.000 2.641 60 F HA 0.338 4.866 4.527 0.001 0.000 0.302 60 F C 1.542 177.321 175.800 -0.035 0.000 1.098 60 F CA -0.559 57.385 58.000 -0.093 0.000 1.318 60 F CB 0.322 39.435 39.000 0.189 0.000 1.035 60 F HN 0.720 nan 8.300 nan 0.000 0.551 61 A N 1.875 124.781 122.820 0.144 0.000 2.567 61 A HA 0.110 4.430 4.320 0.001 0.000 0.240 61 A C -2.246 175.385 177.584 0.078 0.000 1.053 61 A CA -1.048 51.050 52.037 0.102 0.000 0.755 61 A CB -0.555 18.480 19.000 0.059 0.000 0.978 61 A HN -0.012 nan 8.150 nan 0.000 0.507 62 P HA 0.112 nan 4.420 nan 0.000 0.258 62 P C 1.104 178.432 177.300 0.047 0.000 1.172 62 P CA 2.155 65.298 63.100 0.071 0.000 0.762 62 P CB 0.260 31.999 31.700 0.066 0.000 0.764 63 G N 3.048 111.871 108.800 0.038 0.000 2.168 63 G HA2 -0.321 3.640 3.960 0.001 0.000 0.263 63 G HA3 -0.321 3.640 3.960 0.001 0.000 0.263 63 G C 0.455 175.381 174.900 0.045 0.000 0.977 63 G CA 0.233 45.354 45.100 0.036 0.000 0.659 63 G HN 0.672 nan 8.290 nan 0.000 0.533 64 N N -0.553 118.171 118.700 0.041 0.000 2.622 64 N HA 0.299 5.040 4.740 0.001 0.000 0.293 64 N C -0.028 175.512 175.510 0.051 0.000 1.788 64 N CA -0.352 52.730 53.050 0.053 0.000 0.860 64 N CB 0.774 39.283 38.487 0.036 0.000 1.388 64 N HN 0.078 nan 8.380 nan 0.000 0.496 65 V N 1.212 121.152 119.914 0.044 0.000 2.572 65 V HA 0.274 4.395 4.120 0.001 0.000 0.291 65 V C 0.377 176.581 176.094 0.184 0.000 1.039 65 V CA 0.296 62.592 62.300 -0.007 0.000 1.055 65 V CB 1.199 32.827 31.823 -0.326 0.000 0.969 65 V HN 0.292 nan 8.190 nan 0.000 0.482 66 S N 5.552 121.311 115.700 0.099 0.000 2.626 66 S HA 0.650 5.120 4.470 0.001 0.000 0.275 66 S C -1.195 173.420 174.600 0.025 0.000 1.175 66 S CA -0.558 57.680 58.200 0.063 0.000 0.982 66 S CB 0.785 63.983 63.200 -0.004 0.000 1.093 66 S HN 0.509 nan 8.310 nan 0.000 0.472 67 I N 4.611 125.201 120.570 0.033 0.000 2.411 67 I HA 0.484 4.655 4.170 0.001 0.000 0.284 67 I C -0.378 175.714 176.117 -0.043 0.000 1.012 67 I CA -0.342 60.962 61.300 0.007 0.000 1.119 67 I CB 1.660 39.728 38.000 0.113 0.000 1.261 67 I HN 0.420 nan 8.210 nan 0.000 0.448 68 K N 5.016 125.315 120.400 -0.168 0.000 2.371 68 K HA 0.617 4.938 4.320 0.001 0.000 0.251 68 K C -1.783 174.604 176.600 -0.355 0.000 0.934 68 K CA -0.673 55.525 56.287 -0.148 0.000 0.798 68 K CB 2.296 34.716 32.500 -0.133 0.000 1.204 68 K HN 0.331 nan 8.250 nan 0.000 0.427 69 W N 1.970 123.173 121.300 -0.161 0.000 2.957 69 W HA 0.268 4.929 4.660 0.001 0.000 0.336 69 W C -0.549 175.878 176.519 -0.153 0.000 1.087 69 W CA -0.211 56.945 57.345 -0.314 0.000 1.235 69 W CB 0.845 30.086 29.460 -0.366 0.000 1.399 69 W HN 0.678 nan 8.180 nan 0.000 0.480 70 Y N 0.234 120.547 120.300 0.021 0.000 4.079 70 Y HA -0.407 4.144 4.550 0.001 0.000 0.223 70 Y C 1.974 177.895 175.900 0.034 0.000 1.155 70 Y CA 1.108 59.139 58.100 -0.116 0.000 1.805 70 Y CB -1.391 36.981 38.460 -0.148 0.000 1.571 70 Y HN 0.630 nan 8.280 nan 0.000 0.654 71 E N 0.997 121.269 120.200 0.120 0.000 2.204 71 E HA -0.224 4.127 4.350 0.001 0.000 0.195 71 E C 1.307 177.982 176.600 0.125 0.000 0.990 71 E CA 1.666 58.133 56.400 0.111 0.000 0.821 71 E CB -0.140 29.574 29.700 0.023 0.000 0.750 71 E HN 0.672 nan 8.360 nan 0.000 0.477 72 D N 0.936 121.407 120.400 0.119 0.000 2.339 72 D HA 0.101 4.741 4.640 0.001 0.000 0.217 72 D C 0.721 177.114 176.300 0.155 0.000 1.050 72 D CA 0.207 54.273 54.000 0.110 0.000 0.856 72 D CB -0.005 40.837 40.800 0.071 0.000 0.922 72 D HN 0.195 nan 8.370 nan 0.000 0.518 73 G N -0.255 108.687 108.800 0.238 0.000 2.451 73 G HA2 0.517 4.478 3.960 0.001 0.000 0.303 73 G HA3 0.517 4.478 3.960 0.001 0.000 0.303 73 G C -0.207 174.965 174.900 0.454 0.000 1.166 73 G CA -0.337 44.965 45.100 0.336 0.000 0.884 73 G HN 0.243 nan 8.290 nan 0.000 0.514 74 T N -1.614 113.219 114.554 0.465 0.000 2.916 74 T HA 0.773 5.124 4.350 0.001 0.000 0.292 74 T C -0.344 174.496 174.700 0.233 0.000 1.055 74 T CA -0.523 61.758 62.100 0.301 0.000 1.009 74 T CB 1.666 70.629 68.868 0.159 0.000 1.118 74 T HN 1.415 nan 8.240 nan 0.000 0.497 75 L N -0.879 120.350 121.223 0.010 0.000 3.119 75 L HA 0.799 5.140 4.340 0.001 0.000 0.283 75 L C -2.058 174.728 176.870 -0.141 0.000 1.028 75 L CA -1.274 53.453 54.840 -0.187 0.000 0.975 75 L CB 1.784 43.460 42.059 -0.637 0.000 1.543 75 L HN 0.821 nan 8.230 nan 0.000 0.390 76 N N -0.413 118.185 118.700 -0.170 0.000 2.371 76 N HA 0.446 5.186 4.740 0.001 0.000 0.291 76 N C 0.027 175.453 175.510 -0.139 0.000 1.053 76 N CA -0.708 52.276 53.050 -0.110 0.000 0.870 76 N CB 2.385 40.844 38.487 -0.046 0.000 1.503 76 N HN 0.873 nan 8.380 nan 0.000 0.485 77 L N 3.875 125.020 121.223 -0.131 0.000 2.056 77 L HA 0.134 4.474 4.340 0.001 0.000 0.207 77 L C 1.931 178.753 176.870 -0.080 0.000 1.078 77 L CA 1.912 56.663 54.840 -0.149 0.000 0.749 77 L CB -0.237 41.694 42.059 -0.214 0.000 0.901 77 L HN 0.735 nan 8.230 nan 0.000 0.433 78 A N 0.063 122.865 122.820 -0.029 0.000 1.933 78 A HA -0.152 4.169 4.320 0.001 0.000 0.218 78 A C 2.461 180.080 177.584 0.058 0.000 1.175 78 A CA 1.633 53.696 52.037 0.042 0.000 0.628 78 A CB -1.030 18.004 19.000 0.056 0.000 0.814 78 A HN 0.616 nan 8.150 nan 0.000 0.444 79 A N 0.107 122.936 122.820 0.015 0.000 1.933 79 A HA -0.197 4.123 4.320 0.001 0.000 0.218 79 A C 1.956 179.496 177.584 -0.073 0.000 1.175 79 A CA 1.648 53.682 52.037 -0.006 0.000 0.628 79 A CB -0.577 18.403 19.000 -0.033 0.000 0.814 79 A HN 0.603 nan 8.150 nan 0.000 0.444 80 N N -0.746 117.896 118.700 -0.097 0.000 2.354 80 N HA -0.080 4.661 4.740 0.001 0.000 0.179 80 N C 1.287 176.781 175.510 -0.027 0.000 1.021 80 N CA 1.334 54.303 53.050 -0.136 0.000 0.887 80 N CB -0.182 38.212 38.487 -0.155 0.000 0.974 80 N HN 0.505 nan 8.380 nan 0.000 0.437 81 C N -0.168 119.185 119.300 0.089 0.000 2.673 81 C HA 0.329 4.789 4.460 0.001 0.000 0.264 81 C C 2.133 177.388 174.990 0.442 0.000 1.304 81 C CA -0.126 59.049 59.018 0.261 0.000 1.727 81 C CB -0.684 27.177 27.740 0.202 0.000 1.932 81 C HN 0.315 nan 8.230 nan 0.000 0.563 82 L N -0.950 120.459 121.223 0.311 0.000 3.202 82 L HA 0.226 4.566 4.340 0.001 0.000 0.166 82 L C 1.580 178.563 176.870 0.188 0.000 1.204 82 L CA 0.157 55.229 54.840 0.386 0.000 0.894 82 L CB -0.785 41.492 42.059 0.362 0.000 1.719 82 L HN -0.134 nan 8.230 nan 0.000 0.562 83 D N 1.372 121.845 120.400 0.122 0.000 2.133 83 D HA -0.215 4.425 4.640 0.001 0.000 0.195 83 D C 1.925 178.142 176.300 -0.139 0.000 0.997 83 D CA 1.748 55.730 54.000 -0.030 0.000 0.840 83 D CB -0.251 40.577 40.800 0.048 0.000 0.947 83 D HN 0.322 nan 8.370 nan 0.000 0.452 84 R N -0.101 120.258 120.500 -0.236 0.000 2.285 84 R HA -0.055 4.286 4.340 0.001 0.000 0.213 84 R C 1.031 177.098 176.300 -0.388 0.000 1.068 84 R CA 1.116 57.015 56.100 -0.334 0.000 1.004 84 R CB -0.375 29.690 30.300 -0.392 0.000 0.873 84 R HN 0.348 nan 8.270 nan 0.000 0.467 85 H N 0.224 119.202 119.070 -0.153 0.000 2.622 85 H HA 0.184 4.741 4.556 0.001 0.000 0.269 85 H C 1.845 177.061 175.328 -0.187 0.000 0.977 85 H CA 0.203 56.099 56.048 -0.254 0.000 1.179 85 H CB 0.412 29.825 29.762 -0.582 0.000 1.458 85 H HN 0.188 nan 8.280 nan 0.000 0.531 86 L N 0.357 121.550 121.223 -0.050 0.000 2.056 86 L HA -0.161 4.179 4.340 0.001 0.000 0.207 86 L C 2.703 179.552 176.870 -0.035 0.000 1.078 86 L CA 1.105 55.917 54.840 -0.047 0.000 0.749 86 L CB -0.394 41.579 42.059 -0.142 0.000 0.901 86 L HN 0.224 nan 8.230 nan 0.000 0.433 87 Q N 0.587 120.358 119.800 -0.048 0.000 2.077 87 Q HA -0.246 4.094 4.340 0.001 0.000 0.206 87 Q C 1.613 177.606 176.000 -0.012 0.000 0.989 87 Q CA 2.080 57.865 55.803 -0.030 0.000 0.853 87 Q CB 0.157 28.873 28.738 -0.035 0.000 0.907 87 Q HN 0.551 nan 8.270 nan 0.000 0.418 88 E N -1.568 118.627 120.200 -0.008 0.000 2.490 88 E HA 0.089 4.439 4.350 0.001 0.000 0.209 88 E C 0.103 176.710 176.600 0.012 0.000 0.971 88 E CA 0.088 56.491 56.400 0.005 0.000 0.988 88 E CB 0.605 30.309 29.700 0.007 0.000 1.029 88 E HN 0.335 nan 8.360 nan 0.000 0.496 89 N N -0.621 118.081 118.700 0.003 0.000 2.232 89 N HA 0.059 4.799 4.740 0.001 0.000 0.240 89 N C 1.136 176.678 175.510 0.053 0.000 1.307 89 N CA 0.014 53.068 53.050 0.005 0.000 0.859 89 N CB 1.288 39.733 38.487 -0.071 0.000 1.260 89 N HN 0.072 nan 8.380 nan 0.000 0.501 90 G N 0.588 109.427 108.800 0.066 0.000 2.475 90 G HA2 -0.253 3.707 3.960 0.001 0.000 0.220 90 G HA3 -0.253 3.707 3.960 0.001 0.000 0.220 90 G C 1.038 176.035 174.900 0.161 0.000 1.125 90 G CA 1.018 46.191 45.100 0.122 0.000 0.755 90 G HN 0.265 nan 8.290 nan 0.000 0.565 91 D N -0.545 119.930 120.400 0.124 0.000 2.350 91 D HA 0.046 4.687 4.640 0.001 0.000 0.213 91 D C 1.369 177.752 176.300 0.139 0.000 1.031 91 D CA -0.198 53.871 54.000 0.115 0.000 0.861 91 D CB 0.255 41.102 40.800 0.079 0.000 0.926 91 D HN 0.353 nan 8.370 nan 0.000 0.520 92 R N 1.391 122.000 120.500 0.183 0.000 2.623 92 R HA 0.063 4.404 4.340 0.001 0.000 0.271 92 R C -0.374 176.070 176.300 0.240 0.000 1.043 92 R CA 0.110 56.340 56.100 0.217 0.000 1.083 92 R CB 0.370 30.811 30.300 0.235 0.000 0.974 92 R HN -0.270 nan 8.270 nan 0.000 0.436 93 T N 4.208 118.864 114.554 0.170 0.000 2.817 93 T HA 0.123 4.474 4.350 0.001 0.000 0.295 93 T C 1.085 175.770 174.700 -0.025 0.000 0.958 93 T CA 0.198 62.348 62.100 0.083 0.000 1.157 93 T CB 1.324 70.263 68.868 0.119 0.000 0.898 93 T HN 0.758 nan 8.240 nan 0.000 0.536 94 A N 4.473 127.101 122.820 -0.320 0.000 1.878 94 A HA 0.337 4.657 4.320 0.001 0.000 0.213 94 A C 0.809 178.216 177.584 -0.295 0.000 1.192 94 A CA 0.554 52.190 52.037 -0.669 0.000 0.619 94 A CB 0.101 18.358 19.000 -1.238 0.000 0.837 94 A HN 0.780 nan 8.150 nan 0.000 0.446 95 I N 0.468 120.909 120.570 -0.216 0.000 2.466 95 I HA 0.356 4.527 4.170 0.001 0.000 0.289 95 I C -1.335 174.688 176.117 -0.158 0.000 1.026 95 I CA -0.399 60.816 61.300 -0.143 0.000 1.078 95 I CB 2.023 39.953 38.000 -0.116 0.000 1.249 95 I HN 0.077 nan 8.210 nan 0.000 0.429 96 I N 5.056 125.492 120.570 -0.224 0.000 2.315 96 I HA 0.188 4.358 4.170 0.001 0.000 0.291 96 I C -0.895 175.072 176.117 -0.250 0.000 1.006 96 I CA -0.267 60.781 61.300 -0.420 0.000 1.265 96 I CB 0.972 38.571 38.000 -0.668 0.000 1.387 96 I HN 0.567 nan 8.210 nan 0.000 0.475 97 W N 7.709 128.810 121.300 -0.333 0.000 2.429 97 W HA 0.455 5.115 4.660 0.001 0.000 0.314 97 W C -0.390 176.024 176.519 -0.177 0.000 1.062 97 W CA -0.647 56.571 57.345 -0.212 0.000 1.211 97 W CB 1.208 30.584 29.460 -0.141 0.000 1.305 97 W HN 0.382 nan 8.180 nan 0.000 0.476 98 E N 4.531 124.244 120.200 -0.812 0.000 2.155 98 E HA 0.530 4.880 4.350 0.001 0.000 0.264 98 E C 0.219 176.267 176.600 -0.920 0.000 0.886 98 E CA -0.660 55.349 56.400 -0.652 0.000 0.752 98 E CB 1.025 30.531 29.700 -0.324 0.000 1.133 98 E HN 0.559 nan 8.360 nan 0.000 0.414 99 G N 3.119 111.272 108.800 -1.078 0.000 2.594 99 G HA2 -0.031 3.930 3.960 0.001 0.000 0.243 99 G HA3 -0.031 3.930 3.960 0.001 0.000 0.243 99 G C 0.548 175.317 174.900 -0.217 0.000 1.229 99 G CA 0.030 44.626 45.100 -0.839 0.000 0.843 99 G HN 0.792 nan 8.290 nan 0.000 0.578 100 D N -0.602 119.717 120.400 -0.135 0.000 2.123 100 D HA -0.163 4.477 4.640 0.001 0.000 0.196 100 D C 0.716 177.133 176.300 0.194 0.000 0.992 100 D CA 1.237 55.247 54.000 0.017 0.000 0.833 100 D CB 0.129 40.895 40.800 -0.056 0.000 0.954 100 D HN 0.331 nan 8.370 nan 0.000 0.455 101 D N -0.882 119.589 120.400 0.119 0.000 2.313 101 D HA 0.041 4.682 4.640 0.001 0.000 0.239 101 D C 0.706 177.031 176.300 0.040 0.000 1.142 101 D CA 0.098 54.173 54.000 0.125 0.000 0.847 101 D CB 1.206 42.072 40.800 0.110 0.000 1.082 101 D HN -0.090 nan 8.370 nan 0.000 0.480 102 T N 1.736 116.310 114.554 0.034 0.000 2.977 102 T HA -0.161 4.189 4.350 0.001 0.000 0.271 102 T C 1.658 176.341 174.700 -0.028 0.000 1.105 102 T CA 1.830 63.919 62.100 -0.019 0.000 1.116 102 T CB -0.135 68.708 68.868 -0.042 0.000 0.878 102 T HN 0.465 nan 8.240 nan 0.000 0.509 103 S N -0.297 115.400 115.700 -0.004 0.000 2.561 103 S HA 0.135 4.605 4.470 0.001 0.000 0.225 103 S C 0.665 175.280 174.600 0.026 0.000 0.977 103 S CA -0.157 58.047 58.200 0.007 0.000 0.926 103 S CB -0.130 63.078 63.200 0.015 0.000 0.769 103 S HN 0.622 nan 8.310 nan 0.000 0.533 104 Q N 1.678 121.487 119.800 0.014 0.000 2.322 104 Q HA 0.641 4.981 4.340 0.001 0.000 0.265 104 Q C -0.904 175.083 176.000 -0.021 0.000 0.985 104 Q CA -0.464 55.377 55.803 0.063 0.000 0.849 104 Q CB 1.902 30.714 28.738 0.125 0.000 1.274 104 Q HN 0.542 nan 8.270 nan 0.000 0.449 105 S N 1.937 117.724 115.700 0.146 0.000 2.614 105 S HA 0.532 5.003 4.470 0.001 0.000 0.280 105 S C -1.609 173.172 174.600 0.301 0.000 1.111 105 S CA -1.120 57.176 58.200 0.159 0.000 0.847 105 S CB 1.455 64.697 63.200 0.069 0.000 1.079 105 S HN 0.488 nan 8.310 nan 0.000 0.452 106 K N 0.854 121.453 120.400 0.333 0.000 2.464 106 K HA 0.515 4.835 4.320 0.001 0.000 0.253 106 K C -1.864 174.839 176.600 0.172 0.000 0.933 106 K CA -0.773 55.673 56.287 0.265 0.000 0.801 106 K CB 1.540 34.165 32.500 0.208 0.000 1.271 106 K HN 0.709 nan 8.250 nan 0.000 0.430 107 H N 1.576 120.674 119.070 0.048 0.000 2.519 107 H HA 0.380 4.937 4.556 0.001 0.000 0.316 107 H C -0.619 174.712 175.328 0.005 0.000 1.065 107 H CA -0.344 55.713 56.048 0.015 0.000 1.264 107 H CB 0.465 30.238 29.762 0.020 0.000 1.413 107 H HN 0.298 nan 8.280 nan 0.000 0.465 108 I N 2.791 123.383 120.570 0.036 0.000 2.354 108 I HA 0.169 4.339 4.170 0.001 0.000 0.286 108 I C 0.307 176.400 176.117 -0.040 0.000 1.007 108 I CA -0.667 60.629 61.300 -0.005 0.000 1.167 108 I CB 1.036 39.003 38.000 -0.055 0.000 1.320 108 I HN 0.579 nan 8.210 nan 0.000 0.458 109 S N 4.640 120.347 115.700 0.011 0.000 2.600 109 S HA 0.175 4.645 4.470 0.001 0.000 0.265 109 S C 1.102 175.696 174.600 -0.011 0.000 1.325 109 S CA -0.115 58.104 58.200 0.032 0.000 1.002 109 S CB 0.595 63.850 63.200 0.092 0.000 0.921 109 S HN 0.526 nan 8.310 nan 0.000 0.554 110 Y N 1.012 121.350 120.300 0.063 0.000 2.114 110 Y HA -0.175 4.376 4.550 0.001 0.000 0.282 110 Y C 2.958 178.923 175.900 0.108 0.000 1.165 110 Y CA 2.295 60.443 58.100 0.079 0.000 1.148 110 Y CB -0.336 38.168 38.460 0.074 0.000 0.972 110 Y HN 0.709 nan 8.280 nan 0.000 0.504 111 R N 0.536 121.171 120.500 0.225 0.000 2.083 111 R HA -0.205 4.135 4.340 0.001 0.000 0.237 111 R C 2.022 178.426 176.300 0.174 0.000 1.137 111 R CA 2.106 58.311 56.100 0.176 0.000 0.951 111 R CB -0.202 30.171 30.300 0.121 0.000 0.851 111 R HN 0.416 nan 8.270 nan 0.000 0.434 112 E N 0.142 120.412 120.200 0.116 0.000 2.077 112 E HA -0.227 4.123 4.350 0.001 0.000 0.193 112 E C 1.942 178.586 176.600 0.073 0.000 0.989 112 E CA 1.277 57.727 56.400 0.083 0.000 0.800 112 E CB -0.164 29.567 29.700 0.051 0.000 0.746 112 E HN 0.195 nan 8.360 nan 0.000 0.452 113 L N 1.059 122.314 121.223 0.054 0.000 2.056 113 L HA -0.195 4.146 4.340 0.001 0.000 0.207 113 L C 2.379 179.304 176.870 0.092 0.000 1.078 113 L CA 1.905 56.764 54.840 0.032 0.000 0.749 113 L CB -0.697 41.332 42.059 -0.049 0.000 0.901 113 L HN 0.266 nan 8.230 nan 0.000 0.433 114 H N -0.547 118.567 119.070 0.074 0.000 2.319 114 H HA -0.235 4.322 4.556 0.001 0.000 0.297 114 H C 2.392 177.766 175.328 0.075 0.000 1.097 114 H CA 2.194 58.298 56.048 0.093 0.000 1.285 114 H CB 0.117 29.951 29.762 0.120 0.000 1.368 114 H HN 0.256 nan 8.280 nan 0.000 0.495 115 R N 0.830 121.382 120.500 0.086 0.000 2.094 115 R HA -0.131 4.209 4.340 0.001 0.000 0.239 115 R C 1.978 178.263 176.300 -0.024 0.000 1.137 115 R CA 2.164 58.280 56.100 0.026 0.000 0.943 115 R CB -1.059 29.298 30.300 0.095 0.000 0.850 115 R HN 0.614 nan 8.270 nan 0.000 0.433 116 D N -0.345 120.065 120.400 0.016 0.000 2.144 116 D HA -0.069 4.572 4.640 0.001 0.000 0.199 116 D C 2.035 178.351 176.300 0.025 0.000 0.984 116 D CA 1.729 55.752 54.000 0.040 0.000 0.834 116 D CB -0.297 40.544 40.800 0.069 0.000 0.955 116 D HN 0.331 nan 8.370 nan 0.000 0.465 117 V N 0.838 120.742 119.914 -0.018 0.000 2.358 117 V HA -0.243 3.878 4.120 0.001 0.000 0.246 117 V C 2.739 178.782 176.094 -0.085 0.000 1.047 117 V CA 1.139 63.426 62.300 -0.022 0.000 1.035 117 V CB -0.453 31.356 31.823 -0.023 0.000 0.658 117 V HN 0.282 nan 8.190 nan 0.000 0.452 118 C N -0.380 118.818 119.300 -0.169 0.000 2.413 118 C HA -0.173 4.287 4.460 0.001 0.000 0.276 118 C C 2.895 177.827 174.990 -0.097 0.000 1.236 118 C CA 1.030 59.957 59.018 -0.151 0.000 1.735 118 C CB -1.189 26.449 27.740 -0.170 0.000 2.031 118 C HN 0.489 nan 8.230 nan 0.000 0.474 119 R N -0.608 119.857 120.500 -0.058 0.000 2.083 119 R HA -0.165 4.176 4.340 0.001 0.000 0.237 119 R C 2.092 178.338 176.300 -0.091 0.000 1.137 119 R CA 1.841 57.911 56.100 -0.049 0.000 0.951 119 R CB -0.631 29.660 30.300 -0.014 0.000 0.851 119 R HN 0.558 nan 8.270 nan 0.000 0.434 120 F N 0.922 120.735 119.950 -0.227 0.000 2.259 120 F HA -0.071 4.457 4.527 0.001 0.000 0.298 120 F C 2.266 177.911 175.800 -0.258 0.000 1.088 120 F CA 0.986 58.806 58.000 -0.300 0.000 1.358 120 F CB -0.213 38.586 39.000 -0.334 0.000 1.040 120 F HN 0.007 nan 8.300 nan 0.000 0.505 121 A N 0.403 123.112 122.820 -0.184 0.000 1.883 121 A HA -0.237 4.084 4.320 0.001 0.000 0.217 121 A C 2.170 179.561 177.584 -0.323 0.000 1.186 121 A CA 2.000 53.833 52.037 -0.340 0.000 0.624 121 A CB -0.950 17.653 19.000 -0.662 0.000 0.822 121 A HN 0.436 nan 8.150 nan 0.000 0.444 122 N N -0.273 118.286 118.700 -0.236 0.000 2.104 122 N HA -0.121 4.619 4.740 0.001 0.000 0.190 122 N C 1.785 177.168 175.510 -0.212 0.000 1.024 122 N CA 1.923 54.896 53.050 -0.128 0.000 0.853 122 N CB -0.809 37.647 38.487 -0.053 0.000 1.008 122 N HN 0.527 nan 8.380 nan 0.000 0.424 123 T N 2.380 116.731 114.554 -0.337 0.000 2.635 123 T HA -0.082 4.269 4.350 0.001 0.000 0.267 123 T C 2.179 176.608 174.700 -0.452 0.000 1.040 123 T CA 0.885 62.714 62.100 -0.451 0.000 1.156 123 T CB -0.355 68.069 68.868 -0.740 0.000 0.863 123 T HN 0.164 nan 8.240 nan 0.000 0.430 124 L N 0.211 121.121 121.223 -0.521 0.000 2.046 124 L HA -0.060 4.280 4.340 0.001 0.000 0.208 124 L C 2.551 179.298 176.870 -0.204 0.000 1.077 124 L CA 1.137 55.760 54.840 -0.362 0.000 0.747 124 L CB -0.640 41.238 42.059 -0.302 0.000 0.896 124 L HN 0.247 nan 8.230 nan 0.000 0.432 125 L N -0.512 120.612 121.223 -0.166 0.000 2.056 125 L HA -0.216 4.125 4.340 0.001 0.000 0.207 125 L C 2.203 179.021 176.870 -0.087 0.000 1.078 125 L CA 1.056 55.843 54.840 -0.088 0.000 0.749 125 L CB -0.586 41.452 42.059 -0.035 0.000 0.901 125 L HN 0.239 nan 8.230 nan 0.000 0.433 126 D N -0.047 120.283 120.400 -0.116 0.000 2.182 126 D HA -0.157 4.484 4.640 0.001 0.000 0.201 126 D C 1.949 178.180 176.300 -0.115 0.000 0.986 126 D CA 1.136 55.071 54.000 -0.107 0.000 0.847 126 D CB -0.060 40.665 40.800 -0.125 0.000 0.942 126 D HN 0.138 nan 8.370 nan 0.000 0.467 127 L N -0.750 120.384 121.223 -0.149 0.000 2.599 127 L HA 0.202 4.543 4.340 0.001 0.000 0.230 127 L C 1.715 178.550 176.870 -0.057 0.000 1.141 127 L CA 0.740 55.495 54.840 -0.141 0.000 0.877 127 L CB -0.239 41.699 42.059 -0.202 0.000 1.009 127 L HN 0.195 nan 8.230 nan 0.000 0.447 128 G N -0.940 107.829 108.800 -0.051 0.000 2.157 128 G HA2 -0.231 3.729 3.960 0.001 0.000 0.248 128 G HA3 -0.231 3.729 3.960 0.001 0.000 0.248 128 G C 0.432 175.321 174.900 -0.017 0.000 0.979 128 G CA -0.090 44.997 45.100 -0.022 0.000 0.650 128 G HN 0.134 nan 8.290 nan 0.000 0.529 129 I N 1.205 121.755 120.570 -0.033 0.000 2.618 129 I HA 0.518 4.689 4.170 0.001 0.000 0.284 129 I C 0.858 176.964 176.117 -0.018 0.000 1.146 129 I CA 0.883 62.169 61.300 -0.024 0.000 1.425 129 I CB -0.077 37.900 38.000 -0.039 0.000 1.383 129 I HN 0.504 nan 8.210 nan 0.000 0.562 130 K N 5.898 126.296 120.400 -0.003 0.000 2.352 130 K HA 0.419 4.740 4.320 0.001 0.000 0.240 130 K C -0.005 176.601 176.600 0.011 0.000 1.017 130 K CA -1.054 55.236 56.287 0.004 0.000 0.851 130 K CB 0.881 33.385 32.500 0.006 0.000 1.261 130 K HN 0.627 nan 8.250 nan 0.000 0.451 131 K N -0.046 120.363 120.400 0.015 0.000 2.530 131 K HA 0.181 4.502 4.320 0.001 0.000 0.280 131 K C 1.153 177.763 176.600 0.018 0.000 1.004 131 K CA 2.129 58.426 56.287 0.017 0.000 1.071 131 K CB -0.381 32.130 32.500 0.018 0.000 0.876 131 K HN 1.325 nan 8.250 nan 0.000 0.487 132 G N 2.995 111.806 108.800 0.019 0.000 2.253 132 G HA2 -0.233 3.728 3.960 0.001 0.000 0.251 132 G HA3 -0.233 3.728 3.960 0.001 0.000 0.251 132 G C -0.331 174.590 174.900 0.034 0.000 0.998 132 G CA 0.242 45.359 45.100 0.027 0.000 0.621 132 G HN 0.733 nan 8.290 nan 0.000 0.524 133 D N 0.716 121.132 120.400 0.026 0.000 2.424 133 D HA 0.429 5.070 4.640 0.001 0.000 0.244 133 D C 0.753 177.062 176.300 0.016 0.000 1.134 133 D CA 0.075 54.090 54.000 0.025 0.000 0.881 133 D CB 1.608 42.419 40.800 0.019 0.000 1.191 133 D HN 0.211 nan 8.370 nan 0.000 0.445 134 V N 2.679 122.595 119.914 0.003 0.000 2.498 134 V HA 0.251 4.371 4.120 0.001 0.000 0.279 134 V C 0.376 176.480 176.094 0.016 0.000 1.048 134 V CA -0.578 61.709 62.300 -0.021 0.000 0.967 134 V CB 1.666 33.423 31.823 -0.109 0.000 0.988 134 V HN 0.211 nan 8.190 nan 0.000 0.473 135 V N 4.186 124.132 119.914 0.054 0.000 2.444 135 V HA 0.666 4.786 4.120 0.001 0.000 0.294 135 V C 0.367 176.524 176.094 0.105 0.000 1.022 135 V CA -0.644 61.705 62.300 0.081 0.000 0.850 135 V CB 1.699 33.588 31.823 0.111 0.000 0.992 135 V HN 0.990 nan 8.190 nan 0.000 0.426 136 A N 6.745 129.612 122.820 0.077 0.000 2.320 136 A HA 0.803 5.123 4.320 0.001 0.000 0.287 136 A C -0.446 177.199 177.584 0.101 0.000 1.181 136 A CA -0.216 51.868 52.037 0.079 0.000 0.831 136 A CB 0.082 19.095 19.000 0.022 0.000 1.102 136 A HN 0.786 nan 8.150 nan 0.000 0.513 137 I N 2.531 123.170 120.570 0.115 0.000 2.410 137 I HA 0.212 4.383 4.170 0.001 0.000 0.286 137 I C -1.210 174.991 176.117 0.139 0.000 1.009 137 I CA -0.263 61.095 61.300 0.096 0.000 1.111 137 I CB 1.457 39.465 38.000 0.014 0.000 1.262 137 I HN 0.722 nan 8.210 nan 0.000 0.443 138 Y N 8.198 128.478 120.300 -0.034 0.000 2.748 138 Y HA 0.539 5.089 4.550 0.001 0.000 0.359 138 Y C -0.919 174.926 175.900 -0.091 0.000 1.030 138 Y CA -0.780 57.284 58.100 -0.060 0.000 1.169 138 Y CB 0.491 38.921 38.460 -0.051 0.000 1.127 138 Y HN 0.400 nan 8.280 nan 0.000 0.644 139 M N 5.152 124.605 119.600 -0.245 0.000 2.644 139 M HA 0.520 5.000 4.480 0.001 0.000 0.304 139 M C -2.539 173.566 176.300 -0.323 0.000 1.215 139 M CA -1.834 53.304 55.300 -0.269 0.000 0.871 139 M CB 2.110 34.588 32.600 -0.204 0.000 1.740 139 M HN 0.291 nan 8.290 nan 0.000 0.464 140 P HA 0.332 nan 4.420 nan 0.000 0.293 140 P C -0.567 176.632 177.300 -0.168 0.000 1.304 140 P CA -0.503 62.452 63.100 -0.242 0.000 0.767 140 P CB 0.626 32.201 31.700 -0.209 0.000 1.247 141 M N 0.967 120.513 119.600 -0.091 0.000 3.442 141 M HA 0.146 4.627 4.480 0.001 0.000 0.232 141 M C -0.167 176.206 176.300 0.123 0.000 1.508 141 M CA -0.071 55.232 55.300 0.005 0.000 1.647 141 M CB -1.469 31.152 32.600 0.035 0.000 1.126 141 M HN 0.120 nan 8.290 nan 0.000 0.557 142 V N 0.418 120.275 119.914 -0.095 0.000 2.823 142 V HA 0.555 4.675 4.120 0.001 0.000 0.312 142 V C -2.350 173.483 176.094 -0.435 0.000 1.072 142 V CA -1.806 60.264 62.300 -0.383 0.000 0.937 142 V CB 1.721 33.241 31.823 -0.505 0.000 1.013 142 V HN 0.205 nan 8.190 nan 0.000 0.430 143 P HA -0.113 nan 4.420 nan 0.000 0.217 143 P C 1.208 178.294 177.300 -0.358 0.000 1.148 143 P CA 1.484 64.358 63.100 -0.378 0.000 0.828 143 P CB 0.255 31.718 31.700 -0.395 0.000 0.783 144 E N -0.423 119.476 120.200 -0.502 0.000 2.209 144 E HA -0.142 4.208 4.350 0.001 0.000 0.196 144 E C 2.094 178.425 176.600 -0.448 0.000 0.993 144 E CA 1.332 57.366 56.400 -0.611 0.000 0.819 144 E CB -0.975 28.002 29.700 -1.206 0.000 0.745 144 E HN 0.194 nan 8.360 nan 0.000 0.477 145 A N 1.036 123.633 122.820 -0.372 0.000 1.902 145 A HA -0.124 4.197 4.320 0.001 0.000 0.217 145 A C 2.377 179.814 177.584 -0.246 0.000 1.181 145 A CA 1.802 53.675 52.037 -0.273 0.000 0.623 145 A CB -0.837 18.017 19.000 -0.244 0.000 0.818 145 A HN 0.310 nan 8.150 nan 0.000 0.443 146 A N -0.525 122.157 122.820 -0.229 0.000 1.902 146 A HA -0.011 4.309 4.320 0.001 0.000 0.217 146 A C 2.231 179.732 177.584 -0.138 0.000 1.181 146 A CA 1.813 53.731 52.037 -0.197 0.000 0.623 146 A CB -0.991 17.910 19.000 -0.165 0.000 0.818 146 A HN 0.409 nan 8.150 nan 0.000 0.443 147 V N -0.079 119.759 119.914 -0.126 0.000 2.287 147 V HA -0.282 3.839 4.120 0.001 0.000 0.248 147 V C 3.055 179.074 176.094 -0.125 0.000 1.053 147 V CA 2.067 64.321 62.300 -0.078 0.000 1.027 147 V CB -1.304 30.518 31.823 -0.002 0.000 0.646 147 V HN 0.624 nan 8.190 nan 0.000 0.447 148 A N -0.806 121.903 122.820 -0.184 0.000 1.902 148 A HA -0.225 4.096 4.320 0.001 0.000 0.217 148 A C 2.242 179.821 177.584 -0.007 0.000 1.181 148 A CA 2.214 54.151 52.037 -0.168 0.000 0.623 148 A CB -0.461 18.493 19.000 -0.076 0.000 0.818 148 A HN 0.496 nan 8.150 nan 0.000 0.443 149 M N -0.723 118.808 119.600 -0.116 0.000 2.067 149 M HA -0.098 4.382 4.480 0.001 0.000 0.260 149 M C 2.130 178.511 176.300 0.135 0.000 1.069 149 M CA 1.499 56.708 55.300 -0.152 0.000 1.117 149 M CB -0.503 31.831 32.600 -0.442 0.000 1.334 149 M HN 0.365 nan 8.290 nan 0.000 0.407 150 L N -0.336 120.954 121.223 0.111 0.000 2.079 150 L HA -0.189 4.152 4.340 0.001 0.000 0.210 150 L C 2.756 179.694 176.870 0.112 0.000 1.081 150 L CA 1.205 56.140 54.840 0.158 0.000 0.752 150 L CB -0.869 41.261 42.059 0.118 0.000 0.896 150 L HN 0.320 nan 8.230 nan 0.000 0.433 151 A N -1.070 121.814 122.820 0.105 0.000 1.930 151 A HA -0.193 4.127 4.320 0.001 0.000 0.217 151 A C 2.417 180.053 177.584 0.086 0.000 1.175 151 A CA 1.574 53.667 52.037 0.094 0.000 0.627 151 A CB -1.078 18.070 19.000 0.248 0.000 0.815 151 A HN 0.514 nan 8.150 nan 0.000 0.443 152 C N -0.935 118.458 119.300 0.155 0.000 2.413 152 C HA -0.024 4.436 4.460 0.001 0.000 0.277 152 C C 3.325 178.382 174.990 0.112 0.000 1.228 152 C CA 1.005 60.114 59.018 0.152 0.000 1.731 152 C CB -1.333 26.559 27.740 0.255 0.000 2.042 152 C HN 0.704 nan 8.230 nan 0.000 0.468 153 A N -0.000 122.904 122.820 0.141 0.000 1.933 153 A HA -0.218 4.103 4.320 0.001 0.000 0.218 153 A C 2.242 179.842 177.584 0.028 0.000 1.175 153 A CA 1.791 53.866 52.037 0.064 0.000 0.628 153 A CB -0.631 18.395 19.000 0.044 0.000 0.814 153 A HN 0.672 nan 8.150 nan 0.000 0.444 154 R N 0.139 120.658 120.500 0.031 0.000 2.073 154 R HA -0.106 4.235 4.340 0.001 0.000 0.234 154 R C 1.962 178.289 176.300 0.045 0.000 1.134 154 R CA 1.914 58.027 56.100 0.021 0.000 0.952 154 R CB -0.401 29.881 30.300 -0.029 0.000 0.850 154 R HN 0.731 nan 8.270 nan 0.000 0.433 155 I N -3.621 116.959 120.570 0.017 0.000 3.578 155 I HA 0.338 4.508 4.170 0.001 0.000 0.295 155 I C 0.822 176.961 176.117 0.036 0.000 1.280 155 I CA 0.698 62.025 61.300 0.046 0.000 1.347 155 I CB 0.584 38.589 38.000 0.009 0.000 1.051 155 I HN 0.300 nan 8.210 nan 0.000 0.460 156 G N 1.619 110.434 108.800 0.025 0.000 2.132 156 G HA2 -0.178 3.782 3.960 0.001 0.000 0.228 156 G HA3 -0.178 3.782 3.960 0.001 0.000 0.228 156 G C 0.350 175.259 174.900 0.014 0.000 1.000 156 G CA -0.003 45.105 45.100 0.014 0.000 0.693 156 G HN 0.918 nan 8.290 nan 0.000 0.515 157 A N -0.792 122.042 122.820 0.023 0.000 2.366 157 A HA 0.703 5.023 4.320 0.001 0.000 0.249 157 A C 0.520 178.117 177.584 0.021 0.000 1.084 157 A CA 0.343 52.397 52.037 0.028 0.000 0.794 157 A CB 1.062 20.088 19.000 0.043 0.000 1.034 157 A HN 1.194 nan 8.150 nan 0.000 0.491 158 V N 3.403 123.323 119.914 0.009 0.000 2.293 158 V HA 0.241 4.361 4.120 0.001 0.000 0.275 158 V C -0.134 175.970 176.094 0.016 0.000 1.021 158 V CA -0.563 61.717 62.300 -0.034 0.000 0.815 158 V CB 0.119 31.905 31.823 -0.062 0.000 1.025 158 V HN 1.031 nan 8.190 nan 0.000 0.448 159 H N 1.812 120.946 119.070 0.107 0.000 2.732 159 H HA 0.531 5.088 4.556 0.001 0.000 0.351 159 H C 0.092 175.506 175.328 0.143 0.000 1.090 159 H CA -0.305 55.806 56.048 0.105 0.000 1.431 159 H CB 0.973 30.785 29.762 0.083 0.000 1.447 159 H HN 0.476 nan 8.280 nan 0.000 0.582 160 S N 3.413 119.302 115.700 0.315 0.000 2.542 160 S HA 0.315 4.785 4.470 0.001 0.000 0.245 160 S C -1.052 173.715 174.600 0.279 0.000 1.325 160 S CA -0.865 57.515 58.200 0.299 0.000 1.176 160 S CB -0.356 62.968 63.200 0.207 0.000 1.045 160 S HN 0.563 nan 8.310 nan 0.000 0.481 161 V N 6.688 126.796 119.914 0.323 0.000 2.470 161 V HA 0.330 4.451 4.120 0.001 0.000 0.276 161 V C 0.115 176.338 176.094 0.215 0.000 1.040 161 V CA -0.063 62.357 62.300 0.201 0.000 1.008 161 V CB 0.588 32.499 31.823 0.148 0.000 0.990 161 V HN 0.743 nan 8.190 nan 0.000 0.477 162 I N 6.089 126.778 120.570 0.198 0.000 2.307 162 I HA 0.271 4.441 4.170 0.001 0.000 0.289 162 I C 0.106 176.384 176.117 0.267 0.000 1.021 162 I CA -0.563 60.898 61.300 0.268 0.000 1.224 162 I CB 0.801 38.956 38.000 0.259 0.000 1.376 162 I HN 0.513 nan 8.210 nan 0.000 0.470 163 F N 5.685 125.615 119.950 -0.033 0.000 2.537 163 F HA -0.039 4.488 4.527 0.001 0.000 0.402 163 F C 1.524 177.242 175.800 -0.138 0.000 1.005 163 F CA 0.093 57.867 58.000 -0.376 0.000 1.203 163 F CB 0.671 39.070 39.000 -1.002 0.000 0.955 163 F HN 0.616 nan 8.300 nan 0.000 0.547 164 G N 4.180 112.472 108.800 -0.847 0.000 2.708 164 G HA2 -0.050 3.910 3.960 0.001 0.000 0.210 164 G HA3 -0.050 3.910 3.960 0.001 0.000 0.210 164 G C 1.382 175.724 174.900 -0.931 0.000 1.141 164 G CA 0.410 44.921 45.100 -0.980 0.000 0.788 164 G HN 1.026 nan 8.290 nan 0.000 0.531 165 G N -0.328 107.549 108.800 -1.539 0.000 3.042 165 G HA2 0.275 4.235 3.960 0.001 0.000 0.212 165 G HA3 0.275 4.235 3.960 0.001 0.000 0.212 165 G C 0.049 174.742 174.900 -0.346 0.000 1.166 165 G CA -0.573 43.973 45.100 -0.924 0.000 0.767 165 G HN 0.192 nan 8.290 nan 0.000 0.546 166 F N 2.001 121.924 119.950 -0.045 0.000 2.418 166 F HA 0.378 4.906 4.527 0.001 0.000 0.341 166 F C 1.333 177.171 175.800 0.064 0.000 1.120 166 F CA -1.249 56.810 58.000 0.098 0.000 1.232 166 F CB 1.297 40.383 39.000 0.142 0.000 1.175 166 F HN 0.015 nan 8.300 nan 0.000 0.569 167 S N 3.092 118.945 115.700 0.255 0.000 2.614 167 S HA 0.301 4.772 4.470 0.001 0.000 0.265 167 S C -1.972 172.620 174.600 -0.012 0.000 1.303 167 S CA -1.100 57.150 58.200 0.083 0.000 1.000 167 S CB 1.337 64.555 63.200 0.029 0.000 0.935 167 S HN 0.356 nan 8.310 nan 0.000 0.551 168 P HA -0.164 nan 4.420 nan 0.000 0.216 168 P C 1.440 178.650 177.300 -0.150 0.000 1.154 168 P CA 1.618 64.637 63.100 -0.135 0.000 0.865 168 P CB 0.016 31.653 31.700 -0.105 0.000 0.789 169 E N -0.113 120.010 120.200 -0.128 0.000 2.077 169 E HA -0.168 4.183 4.350 0.001 0.000 0.193 169 E C 1.913 178.423 176.600 -0.150 0.000 0.989 169 E CA 1.679 57.996 56.400 -0.138 0.000 0.800 169 E CB -1.082 28.528 29.700 -0.149 0.000 0.746 169 E HN 0.105 nan 8.360 nan 0.000 0.452 170 A N -0.080 122.657 122.820 -0.140 0.000 1.929 170 A HA -0.053 4.267 4.320 0.001 0.000 0.216 170 A C 2.479 179.879 177.584 -0.308 0.000 1.176 170 A CA 1.294 53.201 52.037 -0.217 0.000 0.628 170 A CB -0.623 18.275 19.000 -0.170 0.000 0.816 170 A HN 0.191 nan 8.150 nan 0.000 0.444 171 V N 0.089 119.839 119.914 -0.274 0.000 2.287 171 V HA -0.285 3.836 4.120 0.001 0.000 0.248 171 V C 3.086 179.001 176.094 -0.299 0.000 1.053 171 V CA 2.028 64.117 62.300 -0.352 0.000 1.027 171 V CB -1.296 30.207 31.823 -0.533 0.000 0.646 171 V HN 0.611 nan 8.190 nan 0.000 0.447 172 A N 0.523 123.196 122.820 -0.245 0.000 1.883 172 A HA -0.170 4.151 4.320 0.001 0.000 0.217 172 A C 2.449 179.918 177.584 -0.191 0.000 1.186 172 A CA 2.224 54.145 52.037 -0.194 0.000 0.624 172 A CB -1.411 17.495 19.000 -0.156 0.000 0.822 172 A HN 0.551 nan 8.150 nan 0.000 0.444 173 G N -0.854 107.821 108.800 -0.208 0.000 2.440 173 G HA2 -0.248 3.712 3.960 0.001 0.000 0.218 173 G HA3 -0.248 3.712 3.960 0.001 0.000 0.218 173 G C 1.787 176.507 174.900 -0.299 0.000 1.154 173 G CA 1.060 46.035 45.100 -0.209 0.000 0.767 173 G HN 0.577 nan 8.290 nan 0.000 0.552 174 R N -0.358 119.883 120.500 -0.431 0.000 2.090 174 R HA 0.161 4.501 4.340 0.001 0.000 0.228 174 R C 2.574 178.652 176.300 -0.371 0.000 1.110 174 R CA 0.748 56.448 56.100 -0.666 0.000 0.973 174 R CB -0.285 29.594 30.300 -0.701 0.000 0.869 174 R HN 0.380 nan 8.270 nan 0.000 0.440 175 I N 0.376 120.804 120.570 -0.237 0.000 2.252 175 I HA -0.263 3.908 4.170 0.001 0.000 0.245 175 I C 2.001 178.067 176.117 -0.085 0.000 1.102 175 I CA 1.314 62.533 61.300 -0.135 0.000 1.385 175 I CB -0.122 37.800 38.000 -0.130 0.000 1.064 175 I HN 0.112 nan 8.210 nan 0.000 0.414 176 I N 0.567 121.080 120.570 -0.094 0.000 2.315 176 I HA -0.302 3.869 4.170 0.001 0.000 0.248 176 I C 2.124 178.251 176.117 0.017 0.000 1.117 176 I CA 1.663 62.938 61.300 -0.042 0.000 1.404 176 I CB -0.316 37.653 38.000 -0.051 0.000 1.071 176 I HN 0.252 nan 8.210 nan 0.000 0.419 177 D N 0.154 120.563 120.400 0.015 0.000 2.149 177 D HA -0.154 4.487 4.640 0.001 0.000 0.201 177 D C 2.109 178.599 176.300 0.317 0.000 0.972 177 D CA 1.359 55.455 54.000 0.159 0.000 0.835 177 D CB 0.141 41.053 40.800 0.188 0.000 0.966 177 D HN 0.279 nan 8.370 nan 0.000 0.476 178 S N -1.443 114.378 115.700 0.202 0.000 2.575 178 S HA 0.126 4.596 4.470 0.001 0.000 0.215 178 S C 0.821 175.471 174.600 0.084 0.000 0.966 178 S CA 0.163 58.417 58.200 0.089 0.000 0.911 178 S CB 0.055 63.237 63.200 -0.030 0.000 0.780 178 S HN 0.069 nan 8.310 nan 0.000 0.514 179 S N 1.445 117.208 115.700 0.104 0.000 3.549 179 S HA -0.153 4.318 4.470 0.001 0.000 0.366 179 S C 0.208 174.824 174.600 0.026 0.000 1.012 179 S CA 0.570 58.810 58.200 0.067 0.000 1.141 179 S CB -2.140 61.126 63.200 0.109 0.000 0.910 179 S HN 0.741 nan 8.310 nan 0.000 0.471 180 S N 0.648 116.347 115.700 -0.002 0.000 2.544 180 S HA 0.067 4.537 4.470 0.001 0.000 0.290 180 S C 1.467 176.061 174.600 -0.011 0.000 1.276 180 S CA -0.235 57.959 58.200 -0.009 0.000 1.075 180 S CB 0.572 63.763 63.200 -0.016 0.000 0.849 180 S HN 0.489 nan 8.310 nan 0.000 0.494 181 R N 0.759 121.259 120.500 -0.001 0.000 2.200 181 R HA 0.187 4.528 4.340 0.001 0.000 0.208 181 R C -0.067 176.230 176.300 -0.006 0.000 1.033 181 R CA 0.401 56.497 56.100 -0.007 0.000 1.000 181 R CB 0.003 30.306 30.300 0.005 0.000 0.906 181 R HN 0.441 nan 8.270 nan 0.000 0.462 182 L N -0.315 120.913 121.223 0.008 0.000 2.472 182 L HA 0.405 4.745 4.340 0.001 0.000 0.260 182 L C -1.437 175.449 176.870 0.027 0.000 0.963 182 L CA -0.867 53.987 54.840 0.024 0.000 0.829 182 L CB 2.452 44.535 42.059 0.041 0.000 1.348 182 L HN -0.339 nan 8.230 nan 0.000 0.408 183 V N 5.564 125.492 119.914 0.023 0.000 2.495 183 V HA 0.553 4.673 4.120 0.001 0.000 0.298 183 V C -0.196 175.948 176.094 0.082 0.000 1.031 183 V CA -0.351 61.969 62.300 0.034 0.000 0.871 183 V CB 1.670 33.483 31.823 -0.018 0.000 0.988 183 V HN 0.618 nan 8.190 nan 0.000 0.432 184 I N 4.033 124.680 120.570 0.127 0.000 2.362 184 I HA 0.609 4.780 4.170 0.001 0.000 0.289 184 I C 0.139 176.347 176.117 0.151 0.000 0.994 184 I CA 0.155 61.567 61.300 0.186 0.000 1.158 184 I CB 1.955 40.114 38.000 0.266 0.000 1.315 184 I HN 0.677 nan 8.210 nan 0.000 0.451 185 T N 3.960 118.597 114.554 0.139 0.000 2.696 185 T HA 0.860 5.211 4.350 0.001 0.000 0.291 185 T C -1.443 173.283 174.700 0.044 0.000 1.095 185 T CA -0.460 61.693 62.100 0.089 0.000 1.026 185 T CB 1.798 70.759 68.868 0.154 0.000 1.390 185 T HN 0.620 nan 8.240 nan 0.000 0.513 186 A N 0.593 123.408 122.820 -0.009 0.000 2.384 186 A HA 0.641 4.962 4.320 0.001 0.000 0.312 186 A C 0.874 178.486 177.584 0.047 0.000 1.113 186 A CA -0.047 51.988 52.037 -0.002 0.000 0.779 186 A CB 1.061 20.002 19.000 -0.099 0.000 1.307 186 A HN 0.915 nan 8.150 nan 0.000 0.436 187 D N 0.317 120.790 120.400 0.121 0.000 2.106 187 D HA -0.127 4.514 4.640 0.001 0.000 0.191 187 D C 0.301 176.635 176.300 0.056 0.000 0.997 187 D CA 1.906 55.991 54.000 0.142 0.000 0.834 187 D CB 0.005 40.952 40.800 0.245 0.000 0.956 187 D HN 0.642 nan 8.370 nan 0.000 0.448 188 E N -1.647 118.559 120.200 0.010 0.000 2.390 188 E HA 0.609 4.960 4.350 0.001 0.000 0.277 188 E C -0.680 175.868 176.600 -0.086 0.000 0.939 188 E CA -0.818 55.559 56.400 -0.038 0.000 0.769 188 E CB 2.390 32.075 29.700 -0.025 0.000 1.251 188 E HN 0.216 nan 8.360 nan 0.000 0.450 189 G N 0.151 108.875 108.800 -0.126 0.000 2.437 189 G HA2 0.530 4.491 3.960 0.001 0.000 0.319 189 G HA3 0.530 4.491 3.960 0.001 0.000 0.319 189 G C -0.916 173.909 174.900 -0.124 0.000 1.158 189 G CA -0.352 44.658 45.100 -0.150 0.000 0.899 189 G HN 0.218 nan 8.290 nan 0.000 0.502 190 V N 0.986 120.831 119.914 -0.115 0.000 2.443 190 V HA 0.650 4.771 4.120 0.001 0.000 0.293 190 V C 0.009 176.003 176.094 -0.167 0.000 1.021 190 V CA -0.749 61.481 62.300 -0.117 0.000 0.848 190 V CB 1.362 33.151 31.823 -0.056 0.000 0.998 190 V HN 0.835 nan 8.190 nan 0.000 0.424 191 R N 4.062 124.424 120.500 -0.230 0.000 2.522 191 R HA 0.621 4.962 4.340 0.001 0.000 0.283 191 R C 0.240 176.269 176.300 -0.451 0.000 1.074 191 R CA 0.121 56.050 56.100 -0.285 0.000 0.925 191 R CB 1.714 31.878 30.300 -0.227 0.000 1.205 191 R HN 1.251 nan 8.270 nan 0.000 0.436 192 A N 2.691 125.135 122.820 -0.627 0.000 2.704 192 A HA -0.175 4.145 4.320 0.001 0.000 0.299 192 A C 1.071 177.542 177.584 -1.855 0.000 1.507 192 A CA 1.685 52.873 52.037 -1.415 0.000 0.776 192 A CB -2.112 16.330 19.000 -0.930 0.000 1.027 192 A HN 1.977 nan 8.150 nan 0.000 0.475 193 G N -2.383 105.594 108.800 -1.371 0.000 2.148 193 G HA2 -0.219 3.742 3.960 0.001 0.000 0.254 193 G HA3 -0.219 3.742 3.960 0.001 0.000 0.254 193 G C 0.078 174.780 174.900 -0.329 0.000 0.981 193 G CA 1.099 45.781 45.100 -0.698 0.000 0.670 193 G HN 1.424 nan 8.290 nan 0.000 0.528 194 R N -0.674 119.625 120.500 -0.335 0.000 2.836 194 R HA 0.713 5.053 4.340 0.001 0.000 0.269 194 R C -0.565 175.635 176.300 -0.165 0.000 1.010 194 R CA -0.564 55.416 56.100 -0.200 0.000 0.930 194 R CB 1.509 31.692 30.300 -0.195 0.000 1.218 194 R HN 0.123 nan 8.270 nan 0.000 0.473 195 S N 1.325 116.957 115.700 -0.114 0.000 2.578 195 S HA 0.520 4.991 4.470 0.001 0.000 0.283 195 S C -0.368 174.171 174.600 -0.102 0.000 1.195 195 S CA -0.656 57.486 58.200 -0.097 0.000 1.050 195 S CB 0.801 63.964 63.200 -0.061 0.000 1.012 195 S HN 0.266 nan 8.310 nan 0.000 0.511 196 I N 3.979 124.481 120.570 -0.113 0.000 2.378 196 I HA 0.339 4.509 4.170 0.001 0.000 0.291 196 I C -2.321 173.741 176.117 -0.091 0.000 0.992 196 I CA -3.079 58.148 61.300 -0.123 0.000 1.154 196 I CB 1.122 39.008 38.000 -0.190 0.000 1.315 196 I HN 0.321 nan 8.210 nan 0.000 0.448 197 P HA 0.254 nan 4.420 nan 0.000 0.225 197 P C 0.963 178.270 177.300 0.012 0.000 1.813 197 P CA -0.202 62.888 63.100 -0.016 0.000 1.013 197 P CB 0.324 32.022 31.700 -0.003 0.000 1.961 198 L N 0.769 121.980 121.223 -0.019 0.000 1.970 198 L HA -0.249 4.091 4.340 0.001 0.000 0.212 198 L C 2.612 179.578 176.870 0.161 0.000 1.071 198 L CA 1.963 56.823 54.840 0.033 0.000 0.751 198 L CB -0.890 41.072 42.059 -0.162 0.000 0.889 198 L HN 0.167 nan 8.230 nan 0.000 0.432 199 K N 0.885 121.336 120.400 0.086 0.000 2.063 199 K HA -0.237 4.083 4.320 0.001 0.000 0.208 199 K C 2.114 178.741 176.600 0.045 0.000 1.048 199 K CA 1.694 58.023 56.287 0.071 0.000 0.928 199 K CB -0.217 32.323 32.500 0.067 0.000 0.713 199 K HN 0.062 nan 8.250 nan 0.000 0.442 200 K N -0.011 120.416 120.400 0.046 0.000 2.103 200 K HA -0.155 4.165 4.320 0.001 0.000 0.207 200 K C 1.563 178.169 176.600 0.010 0.000 1.048 200 K CA 1.677 57.978 56.287 0.024 0.000 0.930 200 K CB -0.137 32.378 32.500 0.025 0.000 0.716 200 K HN 0.196 nan 8.250 nan 0.000 0.444 201 N N 0.473 119.197 118.700 0.040 0.000 2.166 201 N HA -0.142 4.598 4.740 0.001 0.000 0.186 201 N C 1.762 177.225 175.510 -0.078 0.000 1.019 201 N CA 1.153 54.210 53.050 0.011 0.000 0.856 201 N CB -0.379 38.178 38.487 0.116 0.000 0.993 201 N HN 0.004 nan 8.380 nan 0.000 0.426 202 V N 1.813 121.690 119.914 -0.061 0.000 2.295 202 V HA -0.209 3.912 4.120 0.001 0.000 0.246 202 V C 1.677 177.703 176.094 -0.112 0.000 1.049 202 V CA 1.660 63.884 62.300 -0.127 0.000 1.024 202 V CB -0.544 31.235 31.823 -0.074 0.000 0.648 202 V HN 0.196 nan 8.190 nan 0.000 0.447 203 D N 0.338 120.689 120.400 -0.081 0.000 2.133 203 D HA -0.202 4.439 4.640 0.001 0.000 0.192 203 D C 1.896 178.148 176.300 -0.080 0.000 1.001 203 D CA 1.802 55.753 54.000 -0.082 0.000 0.844 203 D CB -0.439 40.328 40.800 -0.055 0.000 0.944 203 D HN 0.436 nan 8.370 nan 0.000 0.447 204 D N 0.310 120.667 120.400 -0.071 0.000 2.117 204 D HA -0.073 4.568 4.640 0.001 0.000 0.197 204 D C 2.054 178.297 176.300 -0.095 0.000 0.987 204 D CA 1.373 55.330 54.000 -0.073 0.000 0.829 204 D CB -0.472 40.290 40.800 -0.063 0.000 0.961 204 D HN 0.163 nan 8.370 nan 0.000 0.460 205 A N 0.803 123.549 122.820 -0.124 0.000 1.892 205 A HA -0.156 4.164 4.320 0.001 0.000 0.218 205 A C 2.256 179.765 177.584 -0.126 0.000 1.188 205 A CA 1.114 53.062 52.037 -0.148 0.000 0.631 205 A CB -0.869 18.005 19.000 -0.209 0.000 0.822 205 A HN 0.256 nan 8.150 nan 0.000 0.447 206 L N -1.191 119.960 121.223 -0.121 0.000 2.465 206 L HA -0.076 4.264 4.340 0.001 0.000 0.224 206 L C 2.027 178.842 176.870 -0.092 0.000 1.145 206 L CA 0.890 55.664 54.840 -0.110 0.000 0.834 206 L CB -0.352 41.636 42.059 -0.118 0.000 0.944 206 L HN 0.391 nan 8.230 nan 0.000 0.451 207 K N -0.244 120.106 120.400 -0.083 0.000 2.432 207 K HA -0.042 4.278 4.320 0.001 0.000 0.196 207 K C 0.839 177.402 176.600 -0.062 0.000 1.038 207 K CA -0.119 56.127 56.287 -0.067 0.000 0.986 207 K CB -0.088 32.377 32.500 -0.058 0.000 0.782 207 K HN 0.160 nan 8.250 nan 0.000 0.485 208 N N 2.174 120.832 118.700 -0.071 0.000 2.452 208 N HA -0.023 4.717 4.740 0.001 0.000 0.266 208 N C -1.757 173.718 175.510 -0.057 0.000 1.209 208 N CA -1.186 51.826 53.050 -0.064 0.000 0.929 208 N CB 1.123 39.565 38.487 -0.076 0.000 1.063 208 N HN -0.044 nan 8.380 nan 0.000 0.472 209 P HA -0.049 nan 4.420 nan 0.000 0.226 209 P C 0.343 177.620 177.300 -0.039 0.000 1.153 209 P CA 0.844 63.920 63.100 -0.040 0.000 0.777 209 P CB 0.458 32.139 31.700 -0.031 0.000 0.794 210 N N -0.133 118.544 118.700 -0.040 0.000 2.457 210 N HA 0.000 4.741 4.740 0.001 0.000 0.180 210 N C 0.335 175.820 175.510 -0.042 0.000 1.050 210 N CA 0.369 53.398 53.050 -0.036 0.000 0.906 210 N CB 0.030 38.498 38.487 -0.032 0.000 0.968 210 N HN 0.073 nan 8.380 nan 0.000 0.445 211 V N 2.466 122.348 119.914 -0.054 0.000 2.397 211 V HA 0.036 4.157 4.120 0.001 0.000 0.262 211 V C 1.345 177.405 176.094 -0.057 0.000 1.047 211 V CA 0.435 62.698 62.300 -0.061 0.000 1.003 211 V CB 0.372 32.147 31.823 -0.080 0.000 1.037 211 V HN 0.306 nan 8.190 nan 0.000 0.480 212 T N -1.074 113.452 114.554 -0.046 0.000 3.040 212 T HA 0.022 4.373 4.350 0.001 0.000 0.266 212 T C 1.412 176.084 174.700 -0.047 0.000 1.005 212 T CA 0.458 62.531 62.100 -0.045 0.000 0.906 212 T CB 0.319 69.167 68.868 -0.032 0.000 1.082 212 T HN 0.646 nan 8.240 nan 0.000 0.531 213 S N 0.551 116.224 115.700 -0.045 0.000 2.497 213 S HA 0.293 4.763 4.470 0.001 0.000 0.218 213 S C 0.558 175.125 174.600 -0.055 0.000 1.023 213 S CA -0.293 57.884 58.200 -0.038 0.000 0.913 213 S CB -0.348 62.842 63.200 -0.018 0.000 0.800 213 S HN 0.288 nan 8.310 nan 0.000 0.505 214 V N 2.969 122.839 119.914 -0.073 0.000 2.508 214 V HA 0.239 4.359 4.120 0.001 0.000 0.281 214 V C 0.826 176.836 176.094 -0.139 0.000 1.041 214 V CA 0.195 62.441 62.300 -0.090 0.000 1.016 214 V CB 0.785 32.551 31.823 -0.096 0.000 0.984 214 V HN 0.444 nan 8.190 nan 0.000 0.478 215 E N 2.341 122.438 120.200 -0.171 0.000 2.290 215 E HA 0.184 4.534 4.350 0.001 0.000 0.199 215 E C 0.081 176.302 176.600 -0.632 0.000 0.912 215 E CA 0.286 56.473 56.400 -0.354 0.000 0.924 215 E CB 0.477 29.997 29.700 -0.301 0.000 0.901 215 E HN 0.752 nan 8.360 nan 0.000 0.487 216 H N -0.780 118.233 119.070 -0.095 0.000 2.928 216 H HA 0.434 4.991 4.556 0.001 0.000 0.371 216 H C -1.131 174.125 175.328 -0.120 0.000 1.186 216 H CA -0.749 55.227 56.048 -0.120 0.000 1.134 216 H CB 2.022 31.720 29.762 -0.108 0.000 1.824 216 H HN -0.185 nan 8.280 nan 0.000 0.554 217 V N 3.303 123.200 119.914 -0.028 0.000 2.444 217 V HA 0.279 4.400 4.120 0.001 0.000 0.294 217 V C 0.263 176.316 176.094 -0.068 0.000 1.022 217 V CA -0.546 61.712 62.300 -0.070 0.000 0.850 217 V CB 1.498 33.229 31.823 -0.154 0.000 0.992 217 V HN 0.478 nan 8.190 nan 0.000 0.426 218 I N 5.272 125.865 120.570 0.039 0.000 2.342 218 I HA 0.425 4.595 4.170 0.001 0.000 0.291 218 I C -0.485 175.743 176.117 0.185 0.000 1.010 218 I CA -0.509 60.867 61.300 0.128 0.000 1.308 218 I CB 1.619 39.755 38.000 0.225 0.000 1.400 218 I HN 0.271 nan 8.210 nan 0.000 0.488 219 V N 7.171 127.206 119.914 0.202 0.000 2.444 219 V HA 0.283 4.404 4.120 0.001 0.000 0.294 219 V C -0.226 176.125 176.094 0.430 0.000 1.022 219 V CA -0.733 61.686 62.300 0.198 0.000 0.850 219 V CB 1.764 33.568 31.823 -0.032 0.000 0.992 219 V HN 0.449 nan 8.190 nan 0.000 0.426 220 L N 4.732 126.129 121.223 0.290 0.000 2.319 220 L HA 0.395 4.735 4.340 0.001 0.000 0.280 220 L C 0.537 177.547 176.870 0.233 0.000 1.099 220 L CA 0.217 55.151 54.840 0.158 0.000 0.828 220 L CB 0.611 42.487 42.059 -0.305 0.000 1.150 220 L HN 0.638 nan 8.230 nan 0.000 0.442 221 K N 4.109 124.669 120.400 0.266 0.000 2.167 221 K HA 0.029 4.349 4.320 0.001 0.000 0.275 221 K C 0.848 177.426 176.600 -0.037 0.000 1.103 221 K CA -0.167 56.191 56.287 0.118 0.000 0.963 221 K CB 0.252 32.638 32.500 -0.191 0.000 1.243 221 K HN 0.672 nan 8.250 nan 0.000 0.407 222 R N 1.579 122.061 120.500 -0.030 0.000 2.075 222 R HA -0.034 4.306 4.340 0.001 0.000 0.220 222 R C 1.693 177.960 176.300 -0.055 0.000 1.118 222 R CA 2.263 58.310 56.100 -0.088 0.000 0.986 222 R CB -0.213 30.025 30.300 -0.104 0.000 0.884 222 R HN 0.593 nan 8.270 nan 0.000 0.439 223 T N -4.504 110.035 114.554 -0.025 0.000 2.990 223 T HA 0.270 4.621 4.350 0.001 0.000 0.249 223 T C 1.290 175.974 174.700 -0.027 0.000 1.039 223 T CA 0.329 62.417 62.100 -0.020 0.000 1.036 223 T CB 0.372 69.233 68.868 -0.011 0.000 0.994 223 T HN 0.379 nan 8.240 nan 0.000 0.489 224 G N 2.114 110.897 108.800 -0.028 0.000 2.143 224 G HA2 -0.272 3.688 3.960 0.001 0.000 0.248 224 G HA3 -0.272 3.688 3.960 0.001 0.000 0.248 224 G C 0.257 175.147 174.900 -0.016 0.000 0.991 224 G CA 0.464 45.529 45.100 -0.059 0.000 0.689 224 G HN 1.347 nan 8.290 nan 0.000 0.522 225 S N -0.245 115.470 115.700 0.024 0.000 2.600 225 S HA 0.444 4.915 4.470 0.001 0.000 0.265 225 S C 0.047 174.685 174.600 0.064 0.000 1.325 225 S CA -0.198 58.023 58.200 0.034 0.000 1.002 225 S CB 1.267 64.488 63.200 0.034 0.000 0.921 225 S HN 0.179 nan 8.310 nan 0.000 0.554 226 D N 1.625 122.056 120.400 0.052 0.000 2.434 226 D HA 0.356 4.997 4.640 0.001 0.000 0.252 226 D C 0.295 176.654 176.300 0.100 0.000 1.185 226 D CA 0.293 54.334 54.000 0.069 0.000 0.886 226 D CB 0.007 40.836 40.800 0.048 0.000 1.148 226 D HN 0.662 nan 8.370 nan 0.000 0.483 227 I N -1.668 118.991 120.570 0.148 0.000 3.042 227 I HA 0.506 4.676 4.170 0.001 0.000 0.310 227 I C -0.550 175.683 176.117 0.194 0.000 1.117 227 I CA -1.090 60.313 61.300 0.172 0.000 1.003 227 I CB 2.402 40.537 38.000 0.224 0.000 1.228 227 I HN -0.112 nan 8.210 nan 0.000 0.443 228 D N 1.992 122.493 120.400 0.169 0.000 2.312 228 D HA 0.259 4.899 4.640 0.001 0.000 0.248 228 D C -1.472 174.989 176.300 0.268 0.000 1.086 228 D CA 0.217 54.320 54.000 0.173 0.000 0.948 228 D CB 1.929 42.781 40.800 0.087 0.000 1.162 228 D HN 0.599 nan 8.370 nan 0.000 0.446 229 W N 1.788 123.078 121.300 -0.016 0.000 3.036 229 W HA 0.138 4.799 4.660 0.001 0.000 0.337 229 W C -1.208 175.289 176.519 -0.038 0.000 1.055 229 W CA -0.534 56.784 57.345 -0.045 0.000 1.248 229 W CB 1.436 30.895 29.460 -0.001 0.000 1.335 229 W HN 0.302 nan 8.180 nan 0.000 0.446 230 Q N 4.016 123.551 119.800 -0.441 0.000 2.390 230 Q HA 0.111 4.452 4.340 0.001 0.000 0.249 230 Q C -0.146 175.648 176.000 -0.344 0.000 0.996 230 Q CA -0.230 55.397 55.803 -0.293 0.000 0.899 230 Q CB 1.119 29.702 28.738 -0.258 0.000 1.216 230 Q HN 0.343 nan 8.270 nan 0.000 0.465 231 E N 2.011 122.146 120.200 -0.109 0.000 2.465 231 E HA 0.113 4.464 4.350 0.001 0.000 0.260 231 E C 0.882 177.449 176.600 -0.055 0.000 0.980 231 E CA 1.903 58.295 56.400 -0.014 0.000 0.927 231 E CB 0.369 30.112 29.700 0.071 0.000 0.934 231 E HN 0.841 nan 8.360 nan 0.000 0.459 232 G N 3.857 112.645 108.800 -0.021 0.000 2.253 232 G HA2 -0.382 3.579 3.960 0.001 0.000 0.251 232 G HA3 -0.382 3.579 3.960 0.001 0.000 0.251 232 G C 1.174 176.071 174.900 -0.005 0.000 0.998 232 G CA 0.653 45.756 45.100 0.006 0.000 0.621 232 G HN 0.560 nan 8.290 nan 0.000 0.524 233 R N 0.338 120.770 120.500 -0.114 0.000 2.119 233 R HA 0.163 4.504 4.340 0.001 0.000 0.202 233 R C -0.378 175.822 176.300 -0.167 0.000 1.114 233 R CA 0.563 56.574 56.100 -0.148 0.000 1.089 233 R CB 0.194 30.351 30.300 -0.239 0.000 1.000 233 R HN 0.293 nan 8.270 nan 0.000 0.487 234 D N 1.574 121.674 120.400 -0.500 0.000 2.304 234 D HA 0.287 4.928 4.640 0.001 0.000 0.250 234 D C -0.635 175.318 176.300 -0.580 0.000 1.107 234 D CA 0.191 53.663 54.000 -0.879 0.000 0.885 234 D CB 1.534 41.149 40.800 -1.975 0.000 1.192 234 D HN 0.159 nan 8.370 nan 0.000 0.436 235 L N 1.267 122.318 121.223 -0.287 0.000 2.408 235 L HA 0.450 4.790 4.340 0.001 0.000 0.268 235 L C -0.682 176.333 176.870 0.242 0.000 0.986 235 L CA -1.096 53.798 54.840 0.090 0.000 0.820 235 L CB 1.778 43.843 42.059 0.009 0.000 1.303 235 L HN 0.263 nan 8.230 nan 0.000 0.411 236 W N 2.196 123.774 121.300 0.464 0.000 2.287 236 W HA 0.091 4.751 4.660 0.001 0.000 0.313 236 W C 1.046 177.739 176.519 0.291 0.000 1.267 236 W CA -0.204 57.354 57.345 0.355 0.000 1.201 236 W CB 0.881 30.442 29.460 0.168 0.000 1.196 236 W HN 0.630 nan 8.180 nan 0.000 0.536 237 W N 4.256 125.801 121.300 0.408 0.000 2.302 237 W HA -0.288 4.372 4.660 0.001 0.000 0.320 237 W C 1.941 178.590 176.519 0.217 0.000 1.241 237 W CA 1.919 59.433 57.345 0.282 0.000 1.264 237 W CB -0.448 29.141 29.460 0.214 0.000 1.154 237 W HN 0.498 nan 8.180 nan 0.000 0.483 238 R N 0.473 121.299 120.500 0.544 0.000 2.091 238 R HA -0.177 4.163 4.340 0.001 0.000 0.238 238 R C 2.098 178.503 176.300 0.176 0.000 1.136 238 R CA 2.107 58.402 56.100 0.325 0.000 0.959 238 R CB -0.735 29.675 30.300 0.184 0.000 0.856 238 R HN 0.077 nan 8.270 nan 0.000 0.437 239 D N 0.304 120.817 120.400 0.188 0.000 2.117 239 D HA -0.167 4.474 4.640 0.001 0.000 0.197 239 D C 1.967 178.306 176.300 0.064 0.000 0.987 239 D CA 1.192 55.265 54.000 0.123 0.000 0.829 239 D CB 0.051 40.956 40.800 0.176 0.000 0.961 239 D HN 0.289 nan 8.370 nan 0.000 0.460 240 L N 0.555 121.806 121.223 0.047 0.000 2.044 240 L HA -0.092 4.249 4.340 0.001 0.000 0.205 240 L C 2.643 179.444 176.870 -0.115 0.000 1.075 240 L CA 0.520 55.320 54.840 -0.066 0.000 0.747 240 L CB -0.179 41.798 42.059 -0.136 0.000 0.903 240 L HN 0.006 nan 8.230 nan 0.000 0.435 241 I N -0.176 120.320 120.570 -0.123 0.000 2.252 241 I HA -0.275 3.895 4.170 0.001 0.000 0.245 241 I C 2.238 178.334 176.117 -0.035 0.000 1.102 241 I CA 1.415 62.646 61.300 -0.116 0.000 1.385 241 I CB 0.106 38.025 38.000 -0.136 0.000 1.064 241 I HN 0.286 nan 8.210 nan 0.000 0.414 242 E N 0.497 120.700 120.200 0.005 0.000 2.347 242 E HA -0.234 4.117 4.350 0.001 0.000 0.196 242 E C 1.668 178.267 176.600 -0.002 0.000 1.008 242 E CA 0.889 57.297 56.400 0.015 0.000 0.852 242 E CB 0.076 29.794 29.700 0.031 0.000 0.783 242 E HN 0.550 nan 8.360 nan 0.000 0.505 243 K N -0.038 120.352 120.400 -0.016 0.000 2.404 243 K HA 0.264 4.584 4.320 0.001 0.000 0.194 243 K C 0.274 176.852 176.600 -0.036 0.000 1.023 243 K CA 0.047 56.321 56.287 -0.022 0.000 1.094 243 K CB 0.741 33.229 32.500 -0.021 0.000 0.841 243 K HN -0.086 nan 8.250 nan 0.000 0.523 244 A N 1.024 123.815 122.820 -0.049 0.000 2.312 244 A HA 0.391 4.711 4.320 0.001 0.000 0.328 244 A C -0.402 177.162 177.584 -0.034 0.000 1.158 244 A CA -0.688 51.314 52.037 -0.059 0.000 0.821 244 A CB 1.342 20.279 19.000 -0.106 0.000 1.170 244 A HN 0.259 nan 8.150 nan 0.000 0.490 245 S N 1.690 117.376 115.700 -0.023 0.000 2.549 245 S HA 0.316 4.787 4.470 0.001 0.000 0.283 245 S C -1.631 172.970 174.600 0.002 0.000 1.320 245 S CA -0.830 57.367 58.200 -0.004 0.000 1.058 245 S CB 0.410 63.613 63.200 0.004 0.000 0.882 245 S HN 0.487 nan 8.310 nan 0.000 0.498 246 P HA 0.217 nan 4.420 nan 0.000 0.257 246 P C -0.665 176.653 177.300 0.030 0.000 1.325 246 P CA 0.104 63.212 63.100 0.012 0.000 0.850 246 P CB 0.053 31.768 31.700 0.026 0.000 1.324 247 E N 0.914 121.140 120.200 0.044 0.000 2.092 247 E HA 0.253 4.603 4.350 0.001 0.000 0.271 247 E C -0.604 176.049 176.600 0.089 0.000 0.919 247 E CA -0.167 56.270 56.400 0.060 0.000 0.760 247 E CB 1.233 30.956 29.700 0.038 0.000 1.106 247 E HN 0.262 nan 8.360 nan 0.000 0.408 248 H N 2.856 121.919 119.070 -0.012 0.000 3.017 248 H HA 0.119 4.675 4.556 0.001 0.000 0.340 248 H C -1.039 174.294 175.328 0.009 0.000 1.014 248 H CA -0.573 55.465 56.048 -0.017 0.000 1.341 248 H CB 1.326 31.062 29.762 -0.045 0.000 1.739 248 H HN 0.317 nan 8.280 nan 0.000 0.506 249 Q N 5.506 125.069 119.800 -0.394 0.000 2.294 249 Q HA 0.270 4.611 4.340 0.001 0.000 0.257 249 Q C -2.361 173.524 176.000 -0.193 0.000 0.955 249 Q CA -2.052 53.632 55.803 -0.198 0.000 0.936 249 Q CB 1.495 30.132 28.738 -0.168 0.000 1.188 249 Q HN 0.467 nan 8.270 nan 0.000 0.420 250 P HA 0.156 nan 4.420 nan 0.000 0.276 250 P C -0.492 176.823 177.300 0.025 0.000 1.243 250 P CA -0.030 63.125 63.100 0.091 0.000 0.768 250 P CB 1.031 32.788 31.700 0.095 0.000 0.856 251 E N 1.261 121.483 120.200 0.036 0.000 2.250 251 E HA 0.517 4.868 4.350 0.001 0.000 0.269 251 E C -0.029 176.582 176.600 0.018 0.000 1.018 251 E CA -1.096 55.311 56.400 0.013 0.000 0.873 251 E CB 1.259 30.963 29.700 0.008 0.000 1.134 251 E HN 0.453 nan 8.360 nan 0.000 0.403 252 A N 3.445 126.274 122.820 0.015 0.000 2.492 252 A HA 0.206 4.527 4.320 0.001 0.000 0.254 252 A C -0.275 177.324 177.584 0.025 0.000 1.091 252 A CA 0.126 52.175 52.037 0.021 0.000 0.768 252 A CB 0.010 19.030 19.000 0.033 0.000 1.028 252 A HN 0.416 nan 8.150 nan 0.000 0.498 253 M N 2.841 122.453 119.600 0.020 0.000 2.436 253 M HA 0.259 4.740 4.480 0.001 0.000 0.331 253 M C 0.331 176.663 176.300 0.053 0.000 1.135 253 M CA -0.568 54.746 55.300 0.024 0.000 0.987 253 M CB 1.183 33.783 32.600 0.001 0.000 1.687 253 M HN 0.840 nan 8.290 nan 0.000 0.445 254 N N 1.037 119.775 118.700 0.065 0.000 2.492 254 N HA 0.116 4.857 4.740 0.001 0.000 0.260 254 N C 0.805 176.388 175.510 0.122 0.000 1.215 254 N CA 0.326 53.439 53.050 0.104 0.000 0.923 254 N CB 1.334 39.868 38.487 0.079 0.000 1.092 254 N HN 0.776 nan 8.380 nan 0.000 0.448 255 A N 3.603 126.553 122.820 0.217 0.000 1.958 255 A HA -0.165 4.155 4.320 0.001 0.000 0.221 255 A C 1.464 179.148 177.584 0.167 0.000 1.178 255 A CA 1.450 53.645 52.037 0.265 0.000 0.642 255 A CB -0.160 19.123 19.000 0.472 0.000 0.816 255 A HN 0.782 nan 8.150 nan 0.000 0.453 256 E N 0.790 121.063 120.200 0.122 0.000 2.465 256 E HA 0.053 4.404 4.350 0.001 0.000 0.191 256 E C -0.703 175.908 176.600 0.018 0.000 1.053 256 E CA -0.171 56.267 56.400 0.063 0.000 0.869 256 E CB -0.162 29.564 29.700 0.044 0.000 0.977 256 E HN 0.499 nan 8.360 nan 0.000 0.483 257 D N 2.968 123.382 120.400 0.023 0.000 2.458 257 D HA 0.045 4.685 4.640 0.001 0.000 0.243 257 D C -2.184 174.098 176.300 -0.031 0.000 1.146 257 D CA -1.372 52.628 54.000 -0.001 0.000 0.877 257 D CB 0.742 41.546 40.800 0.007 0.000 1.176 257 D HN -0.007 nan 8.370 nan 0.000 0.461 258 P HA -0.025 nan 4.420 nan 0.000 0.268 258 P C 0.374 177.609 177.300 -0.110 0.000 1.204 258 P CA -0.329 62.718 63.100 -0.088 0.000 0.768 258 P CB 1.148 32.813 31.700 -0.058 0.000 0.842 259 L N 4.654 125.764 121.223 -0.188 0.000 2.349 259 L HA 0.358 4.698 4.340 0.001 0.000 0.200 259 L C 0.292 177.053 176.870 -0.182 0.000 1.064 259 L CA 1.237 55.968 54.840 -0.181 0.000 0.821 259 L CB -0.133 41.800 42.059 -0.209 0.000 1.027 259 L HN 0.450 nan 8.230 nan 0.000 0.476 260 F N -1.770 118.011 119.950 -0.281 0.000 2.741 260 F HA 0.647 5.174 4.527 0.001 0.000 0.313 260 F C -1.317 174.406 175.800 -0.128 0.000 1.153 260 F CA -1.782 56.033 58.000 -0.308 0.000 0.931 260 F CB 0.577 39.291 39.000 -0.478 0.000 1.335 260 F HN -0.257 nan 8.300 nan 0.000 0.460 261 I N 2.733 123.429 120.570 0.210 0.000 2.436 261 I HA 0.450 4.621 4.170 0.001 0.000 0.289 261 I C -1.239 175.042 176.117 0.274 0.000 1.010 261 I CA -0.673 60.670 61.300 0.071 0.000 1.098 261 I CB 2.004 39.877 38.000 -0.212 0.000 1.266 261 I HN 0.557 nan 8.210 nan 0.000 0.434 262 L N 6.837 128.198 121.223 0.230 0.000 2.316 262 L HA 0.447 4.787 4.340 0.001 0.000 0.280 262 L C -1.030 175.890 176.870 0.084 0.000 1.006 262 L CA -0.752 54.232 54.840 0.240 0.000 0.836 262 L CB 1.111 43.354 42.059 0.307 0.000 1.221 262 L HN 0.465 nan 8.230 nan 0.000 0.418 263 Y N 2.353 122.765 120.300 0.185 0.000 2.526 263 Y HA 0.137 4.688 4.550 0.001 0.000 0.330 263 Y C 0.667 176.688 175.900 0.201 0.000 1.156 263 Y CA 0.490 58.680 58.100 0.150 0.000 1.419 263 Y CB 0.845 39.340 38.460 0.059 0.000 1.250 263 Y HN 0.396 nan 8.280 nan 0.000 0.540 264 T N 2.577 117.293 114.554 0.270 0.000 2.921 264 T HA 0.261 4.611 4.350 0.001 0.000 0.297 264 T C -0.482 174.338 174.700 0.200 0.000 1.013 264 T CA -1.045 61.195 62.100 0.233 0.000 0.990 264 T CB 1.032 70.018 68.868 0.197 0.000 1.023 264 T HN 0.462 nan 8.240 nan 0.000 0.447 265 S N 1.922 117.725 115.700 0.171 0.000 2.549 265 S HA 0.551 5.021 4.470 0.001 0.000 0.283 265 S C 0.833 175.491 174.600 0.097 0.000 1.320 265 S CA -0.528 57.748 58.200 0.128 0.000 1.058 265 S CB 0.697 63.962 63.200 0.108 0.000 0.882 265 S HN 0.916 nan 8.310 nan 0.000 0.498 266 G N 0.558 109.403 108.800 0.075 0.000 3.108 266 G HA2 0.448 4.409 3.960 0.001 0.000 0.268 266 G HA3 0.448 4.409 3.960 0.001 0.000 0.268 266 G C 0.751 175.658 174.900 0.012 0.000 1.361 266 G CA -0.472 44.649 45.100 0.034 0.000 1.047 266 G HN 0.564 nan 8.290 nan 0.000 0.540 267 S N -1.452 114.235 115.700 -0.021 0.000 2.399 267 S HA 0.014 4.485 4.470 0.001 0.000 0.231 267 S C 1.284 175.880 174.600 -0.006 0.000 1.022 267 S CA 1.803 59.993 58.200 -0.017 0.000 0.983 267 S CB -0.351 62.827 63.200 -0.037 0.000 0.803 267 S HN 1.083 nan 8.310 nan 0.000 0.480 268 T N -1.841 112.706 114.554 -0.011 0.000 2.893 268 T HA 0.662 5.013 4.350 0.001 0.000 0.291 268 T C 0.341 175.050 174.700 0.015 0.000 1.028 268 T CA -0.068 62.031 62.100 -0.001 0.000 0.995 268 T CB 1.333 70.192 68.868 -0.016 0.000 1.051 268 T HN 0.732 nan 8.240 nan 0.000 0.470 269 G N 2.176 110.991 108.800 0.025 0.000 2.697 269 G HA2 -0.140 3.821 3.960 0.001 0.000 0.240 269 G HA3 -0.140 3.821 3.960 0.001 0.000 0.240 269 G C -0.627 174.304 174.900 0.052 0.000 1.346 269 G CA -0.330 44.793 45.100 0.037 0.000 0.887 269 G HN 0.992 nan 8.290 nan 0.000 0.569 270 K N 0.823 121.259 120.400 0.060 0.000 2.090 270 K HA 0.448 4.769 4.320 0.001 0.000 0.250 270 K C -2.316 174.347 176.600 0.105 0.000 1.004 270 K CA -1.311 55.017 56.287 0.069 0.000 0.919 270 K CB 0.490 33.020 32.500 0.051 0.000 1.045 270 K HN 0.265 nan 8.250 nan 0.000 0.471 271 P HA -0.055 nan 4.420 nan 0.000 0.264 271 P C -0.839 176.643 177.300 0.305 0.000 1.183 271 P CA 0.512 63.732 63.100 0.199 0.000 0.763 271 P CB 0.445 32.264 31.700 0.199 0.000 0.807 272 K N 1.672 122.230 120.400 0.264 0.000 2.221 272 K HA 0.498 4.818 4.320 0.001 0.000 0.243 272 K C 0.506 177.100 176.600 -0.011 0.000 0.968 272 K CA -0.787 55.637 56.287 0.229 0.000 0.846 272 K CB 1.516 34.122 32.500 0.176 0.000 1.141 272 K HN 0.490 nan 8.250 nan 0.000 0.434 273 G N 0.886 109.474 108.800 -0.354 0.000 2.396 273 G HA2 0.269 4.229 3.960 0.001 0.000 0.292 273 G HA3 0.269 4.229 3.960 0.001 0.000 0.292 273 G C -0.131 174.644 174.900 -0.209 0.000 1.106 273 G CA -0.432 44.217 45.100 -0.751 0.000 1.055 273 G HN 0.212 nan 8.290 nan 0.000 0.424 274 V N 4.408 124.255 119.914 -0.112 0.000 2.439 274 V HA 0.128 4.248 4.120 0.001 0.000 0.271 274 V C 0.565 176.567 176.094 -0.154 0.000 1.040 274 V CA -0.252 62.021 62.300 -0.044 0.000 1.002 274 V CB 1.030 32.889 31.823 0.061 0.000 1.000 274 V HN 0.626 nan 8.190 nan 0.000 0.477 275 L N 6.264 127.328 121.223 -0.264 0.000 2.272 275 L HA 0.531 4.872 4.340 0.001 0.000 0.289 275 L C -0.253 176.271 176.870 -0.577 0.000 1.032 275 L CA -0.250 54.391 54.840 -0.332 0.000 0.810 275 L CB 0.514 42.459 42.059 -0.189 0.000 1.205 275 L HN 0.610 nan 8.230 nan 0.000 0.422 276 H N 3.022 121.736 119.070 -0.594 0.000 2.457 276 H HA 0.344 4.900 4.556 0.001 0.000 0.335 276 H C 0.035 175.059 175.328 -0.507 0.000 1.115 276 H CA -0.190 55.479 56.048 -0.633 0.000 1.219 276 H CB 1.900 30.994 29.762 -1.113 0.000 1.471 276 H HN 0.745 nan 8.280 nan 0.000 0.491 277 T N -0.431 114.028 114.554 -0.158 0.000 3.133 277 T HA 0.164 4.515 4.350 0.001 0.000 0.329 277 T C 1.040 175.717 174.700 -0.039 0.000 1.248 277 T CA -0.012 62.031 62.100 -0.094 0.000 0.933 277 T CB 0.365 69.216 68.868 -0.030 0.000 1.943 277 T HN 0.465 nan 8.240 nan 0.000 0.572 278 T N -0.827 113.745 114.554 0.029 0.000 3.114 278 T HA 0.319 4.669 4.350 0.001 0.000 0.240 278 T C 2.136 176.885 174.700 0.081 0.000 0.983 278 T CA 0.424 62.543 62.100 0.032 0.000 1.151 278 T CB -0.888 67.968 68.868 -0.020 0.000 0.974 278 T HN 0.699 nan 8.240 nan 0.000 0.442 279 G N 1.402 110.284 108.800 0.137 0.000 2.524 279 G HA2 0.011 3.971 3.960 0.001 0.000 0.215 279 G HA3 0.011 3.971 3.960 0.001 0.000 0.215 279 G C 1.729 176.793 174.900 0.273 0.000 1.239 279 G CA 1.035 46.263 45.100 0.213 0.000 0.798 279 G HN 0.528 nan 8.290 nan 0.000 0.557 280 G N -0.272 108.746 108.800 0.363 0.000 2.440 280 G HA2 -0.271 3.690 3.960 0.001 0.000 0.218 280 G HA3 -0.271 3.690 3.960 0.001 0.000 0.218 280 G C 1.660 176.599 174.900 0.065 0.000 1.154 280 G CA 1.257 46.480 45.100 0.205 0.000 0.767 280 G HN 0.450 nan 8.290 nan 0.000 0.552 281 Y N 0.715 121.020 120.300 0.008 0.000 2.081 281 Y HA -0.141 4.409 4.550 0.001 0.000 0.280 281 Y C 2.468 178.377 175.900 0.015 0.000 1.163 281 Y CA 1.902 60.002 58.100 -0.000 0.000 1.135 281 Y CB -0.412 38.033 38.460 -0.025 0.000 0.970 281 Y HN 0.139 nan 8.280 nan 0.000 0.498 282 L N -0.626 120.566 121.223 -0.051 0.000 2.109 282 L HA -0.101 4.240 4.340 0.001 0.000 0.207 282 L C 2.354 179.145 176.870 -0.133 0.000 1.086 282 L CA 1.366 56.105 54.840 -0.168 0.000 0.760 282 L CB -0.891 41.121 42.059 -0.079 0.000 0.910 282 L HN 0.200 nan 8.230 nan 0.000 0.437 283 V N -1.097 118.811 119.914 -0.010 0.000 2.287 283 V HA -0.371 3.749 4.120 0.001 0.000 0.248 283 V C 2.245 178.413 176.094 0.123 0.000 1.053 283 V CA 2.300 64.663 62.300 0.104 0.000 1.027 283 V CB -0.813 31.149 31.823 0.233 0.000 0.646 283 V HN 0.543 nan 8.190 nan 0.000 0.447 284 Y N 0.573 120.813 120.300 -0.100 0.000 2.145 284 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 284 Y C 2.439 178.203 175.900 -0.226 0.000 1.145 284 Y CA 1.652 59.686 58.100 -0.110 0.000 1.148 284 Y CB -0.352 37.988 38.460 -0.199 0.000 0.981 284 Y HN 0.189 nan 8.280 nan 0.000 0.507 285 A N 0.222 122.805 122.820 -0.395 0.000 1.883 285 A HA -0.235 4.086 4.320 0.001 0.000 0.217 285 A C 2.354 179.720 177.584 -0.363 0.000 1.186 285 A CA 2.112 53.791 52.037 -0.598 0.000 0.624 285 A CB -1.507 17.017 19.000 -0.794 0.000 0.822 285 A HN 0.566 nan 8.150 nan 0.000 0.444 286 A N -1.262 121.427 122.820 -0.219 0.000 1.898 286 A HA -0.057 4.263 4.320 0.001 0.000 0.216 286 A C 2.324 179.893 177.584 -0.025 0.000 1.181 286 A CA 2.286 54.267 52.037 -0.093 0.000 0.620 286 A CB -1.288 17.674 19.000 -0.062 0.000 0.819 286 A HN 0.442 nan 8.150 nan 0.000 0.442 287 T N 0.429 114.978 114.554 -0.008 0.000 2.674 287 T HA -0.169 4.181 4.350 0.001 0.000 0.265 287 T C 2.223 176.935 174.700 0.020 0.000 1.039 287 T CA 2.423 64.570 62.100 0.077 0.000 1.150 287 T CB -0.837 68.289 68.868 0.431 0.000 0.864 287 T HN 0.818 nan 8.240 nan 0.000 0.427 288 T N 1.092 115.478 114.554 -0.281 0.000 2.684 288 T HA -0.150 4.200 4.350 0.001 0.000 0.267 288 T C 1.737 176.279 174.700 -0.262 0.000 1.036 288 T CA 1.274 62.991 62.100 -0.638 0.000 1.148 288 T CB -1.022 67.162 68.868 -1.140 0.000 0.863 288 T HN 0.320 nan 8.240 nan 0.000 0.436 289 F N 2.635 122.463 119.950 -0.203 0.000 2.043 289 F HA -0.088 4.439 4.527 0.001 0.000 0.297 289 F C 2.525 178.368 175.800 0.072 0.000 1.121 289 F CA 2.015 60.043 58.000 0.047 0.000 1.199 289 F CB -0.420 38.579 39.000 -0.001 0.000 0.968 289 F HN 0.079 nan 8.300 nan 0.000 0.478 290 K N -0.784 119.593 120.400 -0.039 0.000 2.020 290 K HA -0.266 4.054 4.320 0.001 0.000 0.212 290 K C 2.207 178.756 176.600 -0.085 0.000 1.050 290 K CA 2.428 58.625 56.287 -0.149 0.000 0.929 290 K CB -0.663 31.689 32.500 -0.246 0.000 0.714 290 K HN 0.501 nan 8.250 nan 0.000 0.443 291 Y N -0.679 119.673 120.300 0.087 0.000 2.269 291 Y HA -0.116 4.434 4.550 0.001 0.000 0.294 291 Y C 2.235 178.160 175.900 0.040 0.000 1.120 291 Y CA 0.220 58.408 58.100 0.146 0.000 1.159 291 Y CB 0.299 38.969 38.460 0.350 0.000 1.024 291 Y HN -0.125 nan 8.280 nan 0.000 0.532 292 V N -0.806 119.139 119.914 0.051 0.000 2.548 292 V HA -0.253 3.867 4.120 0.001 0.000 0.249 292 V C 1.263 177.134 176.094 -0.372 0.000 1.055 292 V CA 1.669 63.836 62.300 -0.223 0.000 1.065 292 V CB -0.534 31.028 31.823 -0.434 0.000 0.681 292 V HN 0.340 nan 8.190 nan 0.000 0.462 293 F N -0.561 119.311 119.950 -0.130 0.000 2.765 293 F HA 0.224 4.752 4.527 0.001 0.000 0.302 293 F C 1.135 176.908 175.800 -0.046 0.000 1.111 293 F CA 0.307 58.221 58.000 -0.144 0.000 1.359 293 F CB -0.047 38.767 39.000 -0.310 0.000 1.097 293 F HN 0.162 nan 8.300 nan 0.000 0.577 294 D N 0.222 120.706 120.400 0.141 0.000 2.751 294 D HA -0.326 4.315 4.640 0.001 0.000 0.233 294 D C -0.188 176.259 176.300 0.246 0.000 1.149 294 D CA 0.326 54.450 54.000 0.206 0.000 0.682 294 D CB -1.549 39.386 40.800 0.226 0.000 1.068 294 D HN 0.407 nan 8.370 nan 0.000 0.429 295 Y N 0.924 121.218 120.300 -0.011 0.000 2.650 295 Y HA 0.236 4.787 4.550 0.001 0.000 0.331 295 Y C 0.376 176.301 175.900 0.041 0.000 1.165 295 Y CA 0.308 58.411 58.100 0.004 0.000 1.473 295 Y CB 0.270 38.634 38.460 -0.160 0.000 1.224 295 Y HN 0.128 nan 8.280 nan 0.000 0.533 296 H N 6.855 125.637 119.070 -0.480 0.000 2.472 296 H HA 0.348 4.904 4.556 0.001 0.000 0.338 296 H C -2.327 172.652 175.328 -0.581 0.000 1.133 296 H CA -2.383 53.466 56.048 -0.332 0.000 1.216 296 H CB 0.867 30.519 29.762 -0.183 0.000 1.497 296 H HN 0.498 nan 8.280 nan 0.000 0.500 297 P HA -0.005 nan 4.420 nan 0.000 0.261 297 P C 0.906 178.188 177.300 -0.030 0.000 1.173 297 P CA 1.544 64.660 63.100 0.027 0.000 0.760 297 P CB 0.475 32.229 31.700 0.091 0.000 0.783 298 G N 2.256 111.082 108.800 0.043 0.000 2.213 298 G HA2 -0.192 3.768 3.960 0.001 0.000 0.236 298 G HA3 -0.192 3.768 3.960 0.001 0.000 0.236 298 G C -0.104 174.811 174.900 0.024 0.000 0.991 298 G CA -0.360 44.774 45.100 0.056 0.000 0.629 298 G HN 0.499 nan 8.290 nan 0.000 0.517 299 D N 1.488 121.794 120.400 -0.157 0.000 2.458 299 D HA 0.327 4.968 4.640 0.001 0.000 0.243 299 D C 0.994 177.441 176.300 0.246 0.000 1.146 299 D CA 0.176 54.140 54.000 -0.060 0.000 0.877 299 D CB 0.624 41.245 40.800 -0.297 0.000 1.176 299 D HN 0.187 nan 8.370 nan 0.000 0.461 300 I N 2.982 123.680 120.570 0.214 0.000 2.352 300 I HA 0.102 4.272 4.170 0.001 0.000 0.290 300 I C -0.139 176.173 176.117 0.325 0.000 1.036 300 I CA -0.550 60.902 61.300 0.254 0.000 1.336 300 I CB -0.282 37.809 38.000 0.151 0.000 1.407 300 I HN 0.304 nan 8.210 nan 0.000 0.497 301 Y N 7.427 127.883 120.300 0.260 0.000 2.341 301 Y HA 0.484 5.034 4.550 0.001 0.000 0.338 301 Y C -1.435 174.637 175.900 0.287 0.000 0.965 301 Y CA -0.830 57.426 58.100 0.261 0.000 1.108 301 Y CB 1.444 40.107 38.460 0.338 0.000 1.180 301 Y HN 0.603 nan 8.280 nan 0.000 0.458 302 W N 8.629 129.536 121.300 -0.655 0.000 2.587 302 W HA 0.523 5.184 4.660 0.001 0.000 0.324 302 W C -1.773 174.403 176.519 -0.572 0.000 1.008 302 W CA -1.797 55.265 57.345 -0.473 0.000 1.265 302 W CB 0.880 30.220 29.460 -0.201 0.000 1.328 302 W HN 0.839 nan 8.180 nan 0.000 0.432 303 C N 6.761 125.893 119.300 -0.280 0.000 2.307 303 C HA 0.467 4.928 4.460 0.001 0.000 0.340 303 C C 1.699 176.632 174.990 -0.095 0.000 1.275 303 C CA 0.420 59.371 59.018 -0.111 0.000 1.811 303 C CB -0.056 27.876 27.740 0.320 0.000 2.372 303 C HN 0.773 nan 8.230 nan 0.000 0.531 304 T N 2.880 117.240 114.554 -0.323 0.000 3.081 304 T HA 0.223 4.573 4.350 0.001 0.000 0.255 304 T C 0.824 175.561 174.700 0.062 0.000 1.113 304 T CA 0.593 62.581 62.100 -0.186 0.000 1.082 304 T CB -0.169 68.475 68.868 -0.373 0.000 0.939 304 T HN 1.109 nan 8.240 nan 0.000 0.506 305 A N 1.905 124.765 122.820 0.066 0.000 2.498 305 A HA 0.240 4.560 4.320 0.001 0.000 0.239 305 A C 0.433 178.152 177.584 0.224 0.000 1.068 305 A CA -0.423 51.709 52.037 0.160 0.000 0.766 305 A CB -0.123 18.990 19.000 0.188 0.000 1.003 305 A HN 0.511 nan 8.150 nan 0.000 0.497 306 D N 1.631 122.192 120.400 0.268 0.000 2.443 306 D HA -0.019 4.621 4.640 0.001 0.000 0.239 306 D C 1.344 177.722 176.300 0.129 0.000 1.136 306 D CA 0.163 54.276 54.000 0.189 0.000 0.879 306 D CB 1.216 42.134 40.800 0.197 0.000 1.195 306 D HN 0.268 nan 8.370 nan 0.000 0.443 307 V N 4.390 124.342 119.914 0.063 0.000 2.568 307 V HA -0.164 3.957 4.120 0.001 0.000 0.253 307 V C 2.031 178.160 176.094 0.057 0.000 1.072 307 V CA 2.494 64.814 62.300 0.034 0.000 1.084 307 V CB -0.405 31.374 31.823 -0.073 0.000 0.676 307 V HN 0.760 nan 8.190 nan 0.000 0.469 308 G N -1.357 107.385 108.800 -0.097 0.000 2.625 308 G HA2 -0.122 3.838 3.960 0.001 0.000 0.214 308 G HA3 -0.122 3.838 3.960 0.001 0.000 0.214 308 G C 0.270 174.937 174.900 -0.387 0.000 1.132 308 G CA -0.041 44.913 45.100 -0.244 0.000 0.782 308 G HN 0.635 nan 8.290 nan 0.000 0.538 309 W N -2.454 118.898 121.300 0.086 0.000 2.736 309 W HA 0.499 5.160 4.660 0.001 0.000 0.355 309 W C 1.028 177.491 176.519 -0.094 0.000 1.102 309 W CA -1.287 56.036 57.345 -0.037 0.000 1.164 309 W CB 1.385 30.814 29.460 -0.051 0.000 1.422 309 W HN -0.251 nan 8.180 nan 0.000 0.572 310 V N 1.193 121.202 119.914 0.158 0.000 2.392 310 V HA -0.284 3.837 4.120 0.001 0.000 0.249 310 V C 1.649 178.015 176.094 0.454 0.000 1.059 310 V CA 2.934 65.317 62.300 0.138 0.000 1.051 310 V CB -0.574 31.349 31.823 0.166 0.000 0.658 310 V HN 0.831 nan 8.190 nan 0.000 0.455 311 T N -0.040 114.799 114.554 0.475 0.000 2.788 311 T HA -0.083 4.267 4.350 0.001 0.000 0.268 311 T C 1.739 176.802 174.700 0.605 0.000 1.044 311 T CA 1.368 63.927 62.100 0.765 0.000 1.139 311 T CB -0.749 68.442 68.868 0.537 0.000 0.867 311 T HN 0.662 nan 8.240 nan 0.000 0.454 312 G N 0.731 109.785 108.800 0.424 0.000 2.422 312 G HA2 -0.218 3.742 3.960 0.001 0.000 0.218 312 G HA3 -0.218 3.742 3.960 0.001 0.000 0.218 312 G C 1.263 176.304 174.900 0.235 0.000 1.146 312 G CA 0.583 45.871 45.100 0.314 0.000 0.769 312 G HN 0.591 nan 8.290 nan 0.000 0.547 313 H N 0.306 119.393 119.070 0.029 0.000 2.270 313 H HA -0.042 4.515 4.556 0.001 0.000 0.299 313 H C 2.968 178.270 175.328 -0.044 0.000 1.077 313 H CA 1.272 57.229 56.048 -0.152 0.000 1.294 313 H CB 0.107 29.742 29.762 -0.212 0.000 1.371 313 H HN 0.364 nan 8.280 nan 0.000 0.491 314 S N -0.297 115.553 115.700 0.251 0.000 2.414 314 S HA -0.065 4.405 4.470 0.001 0.000 0.227 314 S C 1.148 175.382 174.600 -0.610 0.000 1.022 314 S CA 0.933 59.011 58.200 -0.204 0.000 0.958 314 S CB 0.044 62.943 63.200 -0.503 0.000 0.797 314 S HN 0.420 nan 8.310 nan 0.000 0.493 315 Y N -0.427 120.037 120.300 0.274 0.000 2.471 315 Y HA 0.431 4.981 4.550 0.001 0.000 0.249 315 Y C 1.602 177.753 175.900 0.419 0.000 1.116 315 Y CA -0.379 57.936 58.100 0.359 0.000 1.240 315 Y CB 0.305 39.181 38.460 0.693 0.000 1.251 315 Y HN 0.106 nan 8.280 nan 0.000 0.527 316 L N -0.444 121.004 121.223 0.375 0.000 2.168 316 L HA 0.046 4.387 4.340 0.001 0.000 0.203 316 L C 1.109 178.030 176.870 0.084 0.000 1.078 316 L CA 1.528 56.534 54.840 0.278 0.000 0.780 316 L CB 0.085 42.265 42.059 0.202 0.000 0.939 316 L HN 0.315 nan 8.230 nan 0.000 0.451 317 L N -2.740 118.439 121.223 -0.075 0.000 2.919 317 L HA 0.000 4.341 4.340 0.001 0.000 0.169 317 L C 2.372 179.157 176.870 -0.142 0.000 1.228 317 L CA -0.106 54.616 54.840 -0.198 0.000 0.862 317 L CB -0.721 41.078 42.059 -0.434 0.000 1.313 317 L HN -0.040 nan 8.230 nan 0.000 0.526 318 Y N 1.294 121.542 120.300 -0.085 0.000 2.114 318 Y HA -0.130 4.421 4.550 0.001 0.000 0.284 318 Y C 2.522 178.281 175.900 -0.236 0.000 1.143 318 Y CA 1.110 59.158 58.100 -0.086 0.000 1.135 318 Y CB -1.592 36.916 38.460 0.081 0.000 0.980 318 Y HN 0.177 nan 8.280 nan 0.000 0.499 319 G N 0.550 109.210 108.800 -0.234 0.000 2.586 319 G HA2 -0.259 3.701 3.960 0.001 0.000 0.218 319 G HA3 -0.259 3.701 3.960 0.001 0.000 0.218 319 G C -0.584 173.859 174.900 -0.761 0.000 1.216 319 G CA 1.348 46.179 45.100 -0.449 0.000 0.786 319 G HN 0.315 nan 8.290 nan 0.000 0.583 320 P HA 0.027 nan 4.420 nan 0.000 0.217 320 P C 2.081 179.039 177.300 -0.569 0.000 1.151 320 P CA 0.690 62.962 63.100 -1.380 0.000 0.828 320 P CB -0.109 30.939 31.700 -1.087 0.000 0.788 321 L N -0.893 120.170 121.223 -0.267 0.000 2.109 321 L HA -0.089 4.251 4.340 0.001 0.000 0.207 321 L C 2.545 179.443 176.870 0.046 0.000 1.086 321 L CA 1.362 56.195 54.840 -0.013 0.000 0.760 321 L CB -1.329 40.782 42.059 0.087 0.000 0.910 321 L HN -0.067 nan 8.230 nan 0.000 0.437 322 A N -0.747 122.072 122.820 -0.001 0.000 1.948 322 A HA -0.258 4.062 4.320 0.001 0.000 0.220 322 A C 2.175 179.794 177.584 0.058 0.000 1.177 322 A CA 2.016 54.083 52.037 0.051 0.000 0.636 322 A CB -1.127 17.846 19.000 -0.044 0.000 0.815 322 A HN 0.576 nan 8.150 nan 0.000 0.449 323 C N -1.105 118.126 119.300 -0.115 0.000 2.626 323 C HA 0.434 4.895 4.460 0.001 0.000 0.266 323 C C 1.913 176.803 174.990 -0.166 0.000 1.317 323 C CA 0.115 59.081 59.018 -0.086 0.000 1.716 323 C CB -1.375 26.317 27.740 -0.080 0.000 1.819 323 C HN 1.097 nan 8.230 nan 0.000 0.578 324 G N 0.984 109.524 108.800 -0.433 0.000 2.179 324 G HA2 -0.096 3.865 3.960 0.001 0.000 0.257 324 G HA3 -0.096 3.865 3.960 0.001 0.000 0.257 324 G C 0.202 174.998 174.900 -0.174 0.000 1.010 324 G CA 0.360 45.008 45.100 -0.754 0.000 0.736 324 G HN 0.895 nan 8.290 nan 0.000 0.513 325 A N -0.662 122.061 122.820 -0.161 0.000 2.296 325 A HA 0.739 5.060 4.320 0.001 0.000 0.264 325 A C 0.764 178.427 177.584 0.131 0.000 1.097 325 A CA 0.832 52.792 52.037 -0.127 0.000 0.811 325 A CB 0.511 19.072 19.000 -0.732 0.000 1.072 325 A HN 0.764 nan 8.150 nan 0.000 0.495 326 T N 1.457 116.160 114.554 0.248 0.000 2.738 326 T HA 0.459 4.809 4.350 0.001 0.000 0.298 326 T C 0.018 174.837 174.700 0.199 0.000 0.962 326 T CA 0.155 62.362 62.100 0.178 0.000 0.972 326 T CB 0.545 69.531 68.868 0.197 0.000 0.928 326 T HN 0.701 nan 8.240 nan 0.000 0.474 327 T N 4.010 118.632 114.554 0.112 0.000 2.824 327 T HA 0.623 4.974 4.350 0.001 0.000 0.280 327 T C -0.527 174.226 174.700 0.089 0.000 0.995 327 T CA -0.762 61.465 62.100 0.212 0.000 1.009 327 T CB 0.557 69.532 68.868 0.178 0.000 0.955 327 T HN 0.480 nan 8.240 nan 0.000 0.452 328 L N 5.925 127.207 121.223 0.098 0.000 2.289 328 L HA 0.668 5.008 4.340 0.001 0.000 0.285 328 L C -0.327 176.569 176.870 0.043 0.000 1.049 328 L CA -0.755 54.033 54.840 -0.086 0.000 0.804 328 L CB 1.198 43.052 42.059 -0.343 0.000 1.195 328 L HN 0.722 nan 8.230 nan 0.000 0.428 329 M N 5.555 125.159 119.600 0.008 0.000 2.114 329 M HA 0.349 4.830 4.480 0.001 0.000 0.332 329 M C -1.828 174.544 176.300 0.120 0.000 1.014 329 M CA -0.619 54.775 55.300 0.157 0.000 0.956 329 M CB 1.236 33.962 32.600 0.210 0.000 1.551 329 M HN 0.562 nan 8.290 nan 0.000 0.427 330 F N 4.190 124.147 119.950 0.011 0.000 2.427 330 F HA 0.338 4.865 4.527 0.001 0.000 0.346 330 F C 0.854 176.661 175.800 0.012 0.000 1.120 330 F CA -0.676 57.268 58.000 -0.093 0.000 1.033 330 F CB 1.316 40.380 39.000 0.107 0.000 1.126 330 F HN 0.808 nan 8.300 nan 0.000 0.462 331 E N 3.290 123.236 120.200 -0.423 0.000 2.107 331 E HA 0.068 4.418 4.350 0.001 0.000 0.191 331 E C 1.159 177.382 176.600 -0.629 0.000 0.982 331 E CA 0.970 57.166 56.400 -0.341 0.000 0.809 331 E CB -0.017 29.590 29.700 -0.155 0.000 0.756 331 E HN 0.903 nan 8.360 nan 0.000 0.459 332 G N 0.239 108.230 108.800 -1.348 0.000 2.829 332 G HA2 0.388 4.348 3.960 0.001 0.000 0.173 332 G HA3 0.388 4.348 3.960 0.001 0.000 0.173 332 G C -0.299 174.223 174.900 -0.630 0.000 1.476 332 G CA 0.171 44.754 45.100 -0.862 0.000 1.072 332 G HN 0.207 nan 8.290 nan 0.000 0.577 333 V N -2.794 117.064 119.914 -0.092 0.000 2.769 333 V HA 0.590 4.710 4.120 0.001 0.000 0.312 333 V C -1.885 174.532 176.094 0.538 0.000 1.061 333 V CA -1.875 60.557 62.300 0.220 0.000 0.931 333 V CB 2.165 34.077 31.823 0.147 0.000 1.010 333 V HN 0.465 nan 8.190 nan 0.000 0.433 334 P HA -0.107 nan 4.420 nan 0.000 0.226 334 P C 0.501 177.962 177.300 0.267 0.000 1.146 334 P CA 1.704 65.023 63.100 0.365 0.000 0.773 334 P CB -0.231 31.587 31.700 0.197 0.000 0.772 335 N N -3.766 115.094 118.700 0.267 0.000 2.241 335 N HA 0.109 4.849 4.740 0.001 0.000 0.238 335 N C -0.642 175.021 175.510 0.256 0.000 1.244 335 N CA -0.761 52.413 53.050 0.207 0.000 0.880 335 N CB 0.010 38.587 38.487 0.150 0.000 1.179 335 N HN -0.003 nan 8.380 nan 0.000 0.513 336 W N 2.091 123.465 121.300 0.124 0.000 2.656 336 W HA 0.476 5.136 4.660 0.001 0.000 0.327 336 W C -2.469 174.114 176.519 0.107 0.000 1.041 336 W CA -1.870 55.531 57.345 0.094 0.000 1.229 336 W CB 2.158 31.662 29.460 0.073 0.000 1.397 336 W HN -0.139 nan 8.180 nan 0.000 0.479 337 P HA 0.032 nan 4.420 nan 0.000 0.236 337 P C -0.020 176.943 177.300 -0.561 0.000 1.177 337 P CA 1.030 63.294 63.100 -1.392 0.000 0.773 337 P CB 0.383 31.303 31.700 -1.301 0.000 0.878 338 T N -6.544 107.866 114.554 -0.240 0.000 2.896 338 T HA 0.436 4.787 4.350 0.001 0.000 0.297 338 T C -2.563 172.138 174.700 0.002 0.000 1.108 338 T CA -2.358 59.684 62.100 -0.098 0.000 1.004 338 T CB 1.869 70.681 68.868 -0.093 0.000 1.159 338 T HN -0.387 nan 8.240 nan 0.000 0.499 339 P HA 0.025 nan 4.420 nan 0.000 0.220 339 P C 1.225 178.573 177.300 0.080 0.000 1.144 339 P CA 1.132 64.273 63.100 0.068 0.000 0.800 339 P CB -0.184 31.555 31.700 0.064 0.000 0.772 340 A N -1.068 121.782 122.820 0.049 0.000 2.238 340 A HA -0.009 4.311 4.320 0.001 0.000 0.208 340 A C 2.176 179.781 177.584 0.036 0.000 1.177 340 A CA 0.397 52.461 52.037 0.045 0.000 0.804 340 A CB -0.832 18.178 19.000 0.016 0.000 0.823 340 A HN -0.067 nan 8.150 nan 0.000 0.482 341 R N 0.230 120.759 120.500 0.049 0.000 2.096 341 R HA -0.159 4.182 4.340 0.001 0.000 0.240 341 R C 1.980 178.307 176.300 0.046 0.000 1.139 341 R CA 2.414 58.542 56.100 0.047 0.000 0.952 341 R CB -0.688 29.689 30.300 0.128 0.000 0.854 341 R HN 0.564 nan 8.270 nan 0.000 0.436 342 M N -0.752 118.922 119.600 0.124 0.000 2.082 342 M HA -0.258 4.222 4.480 0.001 0.000 0.258 342 M C 1.878 178.294 176.300 0.194 0.000 1.069 342 M CA 2.214 57.637 55.300 0.205 0.000 1.102 342 M CB -0.228 32.464 32.600 0.153 0.000 1.336 342 M HN 0.351 nan 8.290 nan 0.000 0.404 343 C N 0.277 119.640 119.300 0.104 0.000 2.446 343 C HA -0.066 4.394 4.460 0.001 0.000 0.279 343 C C 2.483 177.475 174.990 0.004 0.000 1.366 343 C CA 0.587 59.642 59.018 0.062 0.000 1.763 343 C CB -1.139 26.619 27.740 0.032 0.000 1.929 343 C HN 0.625 nan 8.230 nan 0.000 0.509 344 Q N 0.352 120.136 119.800 -0.027 0.000 2.124 344 Q HA -0.149 4.192 4.340 0.001 0.000 0.202 344 Q C 2.300 178.206 176.000 -0.156 0.000 0.977 344 Q CA 1.511 57.263 55.803 -0.086 0.000 0.850 344 Q CB -0.171 28.514 28.738 -0.088 0.000 0.901 344 Q HN 0.597 nan 8.270 nan 0.000 0.429 345 V N 0.105 119.902 119.914 -0.196 0.000 2.343 345 V HA -0.232 3.889 4.120 0.001 0.000 0.247 345 V C 2.237 178.195 176.094 -0.226 0.000 1.051 345 V CA 1.380 63.465 62.300 -0.359 0.000 1.036 345 V CB -0.600 30.741 31.823 -0.803 0.000 0.654 345 V HN 0.182 nan 8.190 nan 0.000 0.451 346 V N 0.445 120.339 119.914 -0.033 0.000 2.287 346 V HA -0.295 3.826 4.120 0.001 0.000 0.248 346 V C 2.325 178.401 176.094 -0.029 0.000 1.053 346 V CA 2.404 64.732 62.300 0.046 0.000 1.027 346 V CB -0.688 31.199 31.823 0.107 0.000 0.646 346 V HN 0.558 nan 8.190 nan 0.000 0.447 347 D N -0.430 119.929 120.400 -0.068 0.000 2.103 347 D HA -0.146 4.495 4.640 0.001 0.000 0.199 347 D C 2.156 178.377 176.300 -0.132 0.000 0.978 347 D CA 1.364 55.314 54.000 -0.084 0.000 0.829 347 D CB -0.268 40.481 40.800 -0.084 0.000 0.981 347 D HN 0.397 nan 8.370 nan 0.000 0.464 348 K N -0.032 120.231 120.400 -0.229 0.000 2.032 348 K HA -0.168 4.152 4.320 0.001 0.000 0.209 348 K C 1.394 177.754 176.600 -0.400 0.000 1.048 348 K CA 1.276 57.338 56.287 -0.376 0.000 0.927 348 K CB 0.049 32.190 32.500 -0.599 0.000 0.712 348 K HN 0.235 nan 8.250 nan 0.000 0.441 349 H N 0.304 119.304 119.070 -0.118 0.000 2.529 349 H HA 0.128 4.685 4.556 0.001 0.000 0.277 349 H C -0.069 175.231 175.328 -0.045 0.000 1.004 349 H CA 0.187 56.179 56.048 -0.094 0.000 1.167 349 H CB 0.690 30.332 29.762 -0.201 0.000 1.445 349 H HN 0.265 nan 8.280 nan 0.000 0.554 350 Q N 0.353 120.170 119.800 0.029 0.000 2.439 350 Q HA -0.138 4.202 4.340 0.001 0.000 0.325 350 Q C -0.136 175.899 176.000 0.058 0.000 1.372 350 Q CA 0.245 56.066 55.803 0.030 0.000 0.909 350 Q CB -2.241 26.515 28.738 0.030 0.000 1.167 350 Q HN 0.189 nan 8.270 nan 0.000 0.418 351 V N 0.797 120.753 119.914 0.071 0.000 2.599 351 V HA -0.107 4.014 4.120 0.001 0.000 0.300 351 V C 1.583 177.726 176.094 0.081 0.000 1.034 351 V CA 1.143 63.507 62.300 0.106 0.000 1.115 351 V CB 0.609 32.538 31.823 0.177 0.000 0.934 351 V HN 0.480 nan 8.190 nan 0.000 0.485 352 N N 3.145 121.903 118.700 0.097 0.000 2.454 352 N HA 0.326 5.067 4.740 0.001 0.000 0.177 352 N C -0.188 175.369 175.510 0.078 0.000 1.049 352 N CA 0.146 53.236 53.050 0.067 0.000 0.887 352 N CB 0.439 38.963 38.487 0.060 0.000 1.095 352 N HN 0.601 nan 8.380 nan 0.000 0.446 353 I N 1.267 121.912 120.570 0.124 0.000 2.466 353 I HA 0.329 4.499 4.170 0.001 0.000 0.289 353 I C -1.545 174.577 176.117 0.008 0.000 1.026 353 I CA -0.920 60.446 61.300 0.110 0.000 1.078 353 I CB 2.315 40.458 38.000 0.238 0.000 1.249 353 I HN -0.094 nan 8.210 nan 0.000 0.429 354 L N 7.549 128.772 121.223 0.000 0.000 2.356 354 L HA 0.546 4.886 4.340 0.001 0.000 0.277 354 L C -1.820 175.082 176.870 0.055 0.000 0.996 354 L CA -0.441 54.370 54.840 -0.049 0.000 0.822 354 L CB 1.370 43.418 42.059 -0.018 0.000 1.256 354 L HN 0.473 nan 8.230 nan 0.000 0.413 355 Y N 4.447 124.600 120.300 -0.244 0.000 2.363 355 Y HA 0.696 5.246 4.550 0.001 0.000 0.325 355 Y C -0.427 175.395 175.900 -0.129 0.000 0.984 355 Y CA -0.368 57.694 58.100 -0.065 0.000 1.248 355 Y CB 1.374 39.816 38.460 -0.031 0.000 1.116 355 Y HN 0.804 nan 8.280 nan 0.000 0.470 356 T N 3.205 117.657 114.554 -0.169 0.000 2.626 356 T HA 0.920 5.271 4.350 0.001 0.000 0.279 356 T C -1.498 173.020 174.700 -0.305 0.000 0.983 356 T CA -0.171 61.742 62.100 -0.311 0.000 1.059 356 T CB 1.081 69.766 68.868 -0.305 0.000 1.396 356 T HN 0.724 nan 8.240 nan 0.000 0.519 357 A N 1.105 123.761 122.820 -0.273 0.000 2.365 357 A HA 0.729 5.049 4.320 0.001 0.000 0.318 357 A C -2.198 175.250 177.584 -0.226 0.000 1.091 357 A CA -1.640 50.258 52.037 -0.232 0.000 0.763 357 A CB 1.203 20.076 19.000 -0.213 0.000 1.248 357 A HN 0.579 nan 8.150 nan 0.000 0.442 358 P HA -0.154 nan 4.420 nan 0.000 0.216 358 P C 1.527 178.745 177.300 -0.136 0.000 1.150 358 P CA 2.066 65.078 63.100 -0.146 0.000 0.843 358 P CB 0.128 31.787 31.700 -0.068 0.000 0.787 359 T N -0.616 113.856 114.554 -0.138 0.000 2.684 359 T HA -0.199 4.152 4.350 0.001 0.000 0.267 359 T C 1.871 176.503 174.700 -0.113 0.000 1.036 359 T CA 1.824 63.851 62.100 -0.122 0.000 1.148 359 T CB -0.998 67.780 68.868 -0.150 0.000 0.863 359 T HN 0.073 nan 8.240 nan 0.000 0.436 360 A N 1.194 123.939 122.820 -0.124 0.000 1.865 360 A HA -0.082 4.238 4.320 0.001 0.000 0.217 360 A C 2.292 179.810 177.584 -0.111 0.000 1.191 360 A CA 1.558 53.536 52.037 -0.098 0.000 0.623 360 A CB -0.921 18.016 19.000 -0.105 0.000 0.826 360 A HN 0.532 nan 8.150 nan 0.000 0.444 361 I N -0.766 119.702 120.570 -0.170 0.000 2.151 361 I HA -0.333 3.837 4.170 0.001 0.000 0.243 361 I C 2.785 178.777 176.117 -0.209 0.000 1.080 361 I CA 1.784 62.984 61.300 -0.166 0.000 1.339 361 I CB -0.403 37.428 38.000 -0.283 0.000 1.039 361 I HN 0.297 nan 8.210 nan 0.000 0.409 362 R N 0.634 121.026 120.500 -0.181 0.000 2.105 362 R HA -0.147 4.194 4.340 0.001 0.000 0.239 362 R C 2.444 178.624 176.300 -0.200 0.000 1.135 362 R CA 1.460 57.444 56.100 -0.194 0.000 0.967 362 R CB -0.496 29.736 30.300 -0.113 0.000 0.861 362 R HN 0.415 nan 8.270 nan 0.000 0.442 363 A N 1.194 123.932 122.820 -0.137 0.000 1.898 363 A HA -0.103 4.218 4.320 0.001 0.000 0.216 363 A C 2.166 179.682 177.584 -0.113 0.000 1.181 363 A CA 1.083 53.064 52.037 -0.093 0.000 0.620 363 A CB -0.415 18.562 19.000 -0.038 0.000 0.819 363 A HN 0.161 nan 8.150 nan 0.000 0.442 364 L N -1.439 119.705 121.223 -0.132 0.000 2.109 364 L HA -0.102 4.239 4.340 0.001 0.000 0.207 364 L C 2.779 179.436 176.870 -0.355 0.000 1.086 364 L CA 1.507 56.291 54.840 -0.093 0.000 0.760 364 L CB -0.454 41.663 42.059 0.097 0.000 0.910 364 L HN 0.532 nan 8.230 nan 0.000 0.437 365 M N 0.106 119.203 119.600 -0.838 0.000 2.159 365 M HA -0.187 4.294 4.480 0.001 0.000 0.263 365 M C 2.277 178.213 176.300 -0.607 0.000 1.063 365 M CA 1.876 56.337 55.300 -1.399 0.000 1.110 365 M CB -0.091 31.677 32.600 -1.388 0.000 1.374 365 M HN 0.252 nan 8.290 nan 0.000 0.411 366 A N -0.029 122.582 122.820 -0.348 0.000 2.070 366 A HA -0.129 4.192 4.320 0.001 0.000 0.220 366 A C 1.732 179.254 177.584 -0.103 0.000 1.159 366 A CA 1.506 53.434 52.037 -0.181 0.000 0.656 366 A CB -0.483 18.445 19.000 -0.121 0.000 0.800 366 A HN 0.571 nan 8.150 nan 0.000 0.453 367 E N -0.931 119.218 120.200 -0.085 0.000 2.447 367 E HA 0.250 4.601 4.350 0.001 0.000 0.195 367 E C 1.505 178.138 176.600 0.055 0.000 1.028 367 E CA 0.632 57.031 56.400 -0.002 0.000 0.876 367 E CB -0.418 29.297 29.700 0.026 0.000 0.885 367 E HN 0.623 nan 8.360 nan 0.000 0.500 368 G N 2.333 111.175 108.800 0.070 0.000 2.556 368 G HA2 -0.353 3.608 3.960 0.001 0.000 0.283 368 G HA3 -0.353 3.608 3.960 0.001 0.000 0.283 368 G C 0.500 175.599 174.900 0.332 0.000 1.177 368 G CA 0.393 45.629 45.100 0.226 0.000 0.978 368 G HN 0.237 nan 8.290 nan 0.000 0.554 369 D N 1.010 121.540 120.400 0.217 0.000 2.348 369 D HA 0.045 4.685 4.640 0.001 0.000 0.216 369 D C 2.307 178.676 176.300 0.115 0.000 0.970 369 D CA 0.868 54.961 54.000 0.155 0.000 0.889 369 D CB -0.058 40.797 40.800 0.091 0.000 0.912 369 D HN 0.535 nan 8.370 nan 0.000 0.524 370 K N 0.592 121.058 120.400 0.111 0.000 2.280 370 K HA -0.042 4.278 4.320 0.001 0.000 0.202 370 K C 1.874 178.533 176.600 0.097 0.000 1.047 370 K CA 0.799 57.133 56.287 0.079 0.000 0.942 370 K CB 0.080 32.616 32.500 0.060 0.000 0.739 370 K HN 0.038 nan 8.250 nan 0.000 0.457 371 A N 1.459 124.380 122.820 0.168 0.000 2.066 371 A HA -0.063 4.257 4.320 0.001 0.000 0.218 371 A C 1.905 179.571 177.584 0.138 0.000 1.157 371 A CA 0.998 53.156 52.037 0.201 0.000 0.670 371 A CB -0.414 18.823 19.000 0.395 0.000 0.804 371 A HN 0.469 nan 8.150 nan 0.000 0.453 372 I N -4.684 115.941 120.570 0.091 0.000 4.240 372 I HA 0.319 4.490 4.170 0.001 0.000 0.331 372 I C 0.410 176.528 176.117 0.001 0.000 1.381 372 I CA -0.290 61.022 61.300 0.018 0.000 1.136 372 I CB 0.113 38.086 38.000 -0.045 0.000 1.137 372 I HN 0.057 nan 8.210 nan 0.000 0.411 373 E N 2.751 122.961 120.200 0.016 0.000 2.493 373 E HA 0.209 4.559 4.350 0.001 0.000 0.255 373 E C 1.273 177.866 176.600 -0.012 0.000 0.999 373 E CA 1.090 57.492 56.400 0.002 0.000 0.934 373 E CB 0.215 29.922 29.700 0.011 0.000 0.940 373 E HN 0.605 nan 8.360 nan 0.000 0.473 374 G N 3.244 112.032 108.800 -0.021 0.000 2.162 374 G HA2 -0.295 3.665 3.960 0.001 0.000 0.260 374 G HA3 -0.295 3.665 3.960 0.001 0.000 0.260 374 G C 0.301 175.180 174.900 -0.036 0.000 0.976 374 G CA 0.668 45.751 45.100 -0.029 0.000 0.655 374 G HN 0.744 nan 8.290 nan 0.000 0.533 375 T N -3.549 110.983 114.554 -0.036 0.000 2.949 375 T HA 0.721 5.072 4.350 0.001 0.000 0.287 375 T C 0.381 175.051 174.700 -0.050 0.000 1.034 375 T CA 0.404 62.478 62.100 -0.043 0.000 1.018 375 T CB 2.572 71.418 68.868 -0.035 0.000 1.135 375 T HN 0.022 nan 8.240 nan 0.000 0.532 376 D N -0.740 119.627 120.400 -0.055 0.000 2.716 376 D HA 0.200 4.840 4.640 0.001 0.000 0.273 376 D C 1.151 177.407 176.300 -0.073 0.000 1.024 376 D CA -0.141 53.822 54.000 -0.062 0.000 0.944 376 D CB 0.249 41.015 40.800 -0.056 0.000 1.186 376 D HN 0.704 nan 8.370 nan 0.000 0.485 377 R N -0.854 119.606 120.500 -0.066 0.000 3.977 377 R HA -0.179 4.161 4.340 0.001 0.000 0.428 377 R C 1.288 177.537 176.300 -0.085 0.000 1.079 377 R CA 0.838 56.894 56.100 -0.075 0.000 1.269 377 R CB -2.240 27.998 30.300 -0.103 0.000 1.856 377 R HN 0.080 nan 8.270 nan 0.000 0.551 378 S N -0.038 115.615 115.700 -0.078 0.000 2.442 378 S HA -0.158 4.313 4.470 0.001 0.000 0.236 378 S C 1.804 176.365 174.600 -0.066 0.000 1.007 378 S CA 1.320 59.473 58.200 -0.079 0.000 0.965 378 S CB -0.066 63.093 63.200 -0.067 0.000 0.773 378 S HN 0.667 nan 8.310 nan 0.000 0.504 379 S N 1.249 116.920 115.700 -0.049 0.000 2.442 379 S HA 0.038 4.508 4.470 0.001 0.000 0.236 379 S C 0.629 175.209 174.600 -0.032 0.000 1.007 379 S CA 0.293 58.474 58.200 -0.031 0.000 0.965 379 S CB -0.670 62.524 63.200 -0.011 0.000 0.773 379 S HN 0.384 nan 8.310 nan 0.000 0.504 380 L N 1.599 122.791 121.223 -0.051 0.000 2.416 380 L HA 0.317 4.657 4.340 0.001 0.000 0.272 380 L C 1.685 178.507 176.870 -0.079 0.000 1.161 380 L CA -0.214 54.591 54.840 -0.059 0.000 0.845 380 L CB 0.588 42.590 42.059 -0.096 0.000 1.119 380 L HN 0.206 nan 8.230 nan 0.000 0.464 381 R N 2.794 123.262 120.500 -0.053 0.000 2.383 381 R HA 0.394 4.734 4.340 0.001 0.000 0.205 381 R C -0.408 175.868 176.300 -0.039 0.000 0.875 381 R CA 0.007 56.074 56.100 -0.054 0.000 1.039 381 R CB 1.101 31.378 30.300 -0.038 0.000 1.267 381 R HN 0.393 nan 8.270 nan 0.000 0.635 382 I N 1.838 122.403 120.570 -0.009 0.000 2.619 382 I HA 0.386 4.556 4.170 0.001 0.000 0.292 382 I C -0.660 175.464 176.117 0.012 0.000 1.100 382 I CA -0.680 60.639 61.300 0.032 0.000 1.043 382 I CB 2.234 40.319 38.000 0.141 0.000 1.239 382 I HN -0.021 nan 8.210 nan 0.000 0.420 383 L N 3.781 124.988 121.223 -0.026 0.000 2.341 383 L HA 0.928 5.268 4.340 0.001 0.000 0.267 383 L C 0.194 177.155 176.870 0.151 0.000 1.009 383 L CA -0.615 54.199 54.840 -0.044 0.000 0.819 383 L CB 2.491 44.280 42.059 -0.450 0.000 1.323 383 L HN 0.733 nan 8.230 nan 0.000 0.425 384 G N -0.177 108.838 108.800 0.357 0.000 2.667 384 G HA2 0.545 4.506 3.960 0.001 0.000 0.298 384 G HA3 0.545 4.506 3.960 0.001 0.000 0.298 384 G C -1.854 173.362 174.900 0.528 0.000 1.377 384 G CA -0.303 45.092 45.100 0.491 0.000 0.964 384 G HN 0.392 nan 8.290 nan 0.000 0.493 385 S N -0.620 115.309 115.700 0.382 0.000 2.526 385 S HA 0.787 5.258 4.470 0.001 0.000 0.293 385 S C -1.144 173.565 174.600 0.181 0.000 1.092 385 S CA -0.641 57.664 58.200 0.174 0.000 0.980 385 S CB 1.778 65.055 63.200 0.128 0.000 1.048 385 S HN 1.368 nan 8.310 nan 0.000 0.483 386 V N 3.849 123.764 119.914 0.002 0.000 2.932 386 V HA 0.767 4.888 4.120 0.001 0.000 0.307 386 V C 0.590 176.644 176.094 -0.067 0.000 1.147 386 V CA 0.739 63.056 62.300 0.028 0.000 0.951 386 V CB 1.340 33.185 31.823 0.036 0.000 1.031 386 V HN 1.504 nan 8.190 nan 0.000 0.426 387 G N 4.539 113.304 108.800 -0.057 0.000 2.218 387 G HA2 -0.109 3.851 3.960 0.001 0.000 0.216 387 G HA3 -0.109 3.851 3.960 0.001 0.000 0.216 387 G C -0.091 174.755 174.900 -0.090 0.000 0.994 387 G CA 0.357 45.370 45.100 -0.144 0.000 0.637 387 G HN 0.936 nan 8.290 nan 0.000 0.505 388 E N -0.131 120.059 120.200 -0.017 0.000 2.390 388 E HA 0.454 4.804 4.350 0.001 0.000 0.280 388 E C -3.004 173.641 176.600 0.074 0.000 0.992 388 E CA -1.973 54.434 56.400 0.011 0.000 0.790 388 E CB 2.251 31.931 29.700 -0.033 0.000 1.248 388 E HN 0.043 nan 8.360 nan 0.000 0.447 389 P HA 0.057 nan 4.420 nan 0.000 0.264 389 P C -0.958 176.406 177.300 0.107 0.000 1.183 389 P CA 0.215 63.385 63.100 0.117 0.000 0.763 389 P CB 0.408 32.172 31.700 0.108 0.000 0.807 390 I N 3.100 123.758 120.570 0.147 0.000 2.362 390 I HA 0.243 4.414 4.170 0.001 0.000 0.289 390 I C 0.145 176.379 176.117 0.195 0.000 0.994 390 I CA -0.998 60.403 61.300 0.167 0.000 1.158 390 I CB 0.738 38.877 38.000 0.232 0.000 1.315 390 I HN 0.335 nan 8.210 nan 0.000 0.451 391 N N 7.456 126.254 118.700 0.163 0.000 2.482 391 N HA 0.221 4.962 4.740 0.001 0.000 0.260 391 N C -2.308 173.331 175.510 0.216 0.000 1.236 391 N CA -1.333 51.816 53.050 0.164 0.000 0.938 391 N CB 0.659 39.213 38.487 0.112 0.000 1.128 391 N HN 0.318 nan 8.380 nan 0.000 0.448 392 P HA -0.161 nan 4.420 nan 0.000 0.216 392 P C 0.884 178.346 177.300 0.270 0.000 1.154 392 P CA 1.734 64.949 63.100 0.191 0.000 0.865 392 P CB 0.213 31.980 31.700 0.112 0.000 0.789 393 E N -0.803 119.526 120.200 0.215 0.000 2.106 393 E HA -0.121 4.230 4.350 0.001 0.000 0.192 393 E C 2.103 178.881 176.600 0.296 0.000 0.984 393 E CA 1.111 57.648 56.400 0.228 0.000 0.806 393 E CB -0.488 29.300 29.700 0.147 0.000 0.750 393 E HN 0.165 nan 8.360 nan 0.000 0.458 394 A N 0.716 123.690 122.820 0.257 0.000 1.873 394 A HA -0.184 4.136 4.320 0.001 0.000 0.215 394 A C 1.856 179.692 177.584 0.420 0.000 1.186 394 A CA 1.118 53.311 52.037 0.259 0.000 0.616 394 A CB -1.024 18.059 19.000 0.139 0.000 0.823 394 A HN 0.486 nan 8.150 nan 0.000 0.442 395 W N 0.983 122.423 121.300 0.233 0.000 2.317 395 W HA -0.205 4.455 4.660 0.001 0.000 0.318 395 W C 2.160 178.874 176.519 0.324 0.000 1.227 395 W CA 1.982 59.490 57.345 0.273 0.000 1.269 395 W CB 0.104 29.666 29.460 0.171 0.000 1.155 395 W HN 0.329 nan 8.180 nan 0.000 0.484 396 E N -0.839 119.806 120.200 0.742 0.000 2.110 396 E HA -0.265 4.085 4.350 0.001 0.000 0.193 396 E C 1.674 178.572 176.600 0.496 0.000 0.988 396 E CA 1.670 58.442 56.400 0.619 0.000 0.804 396 E CB -1.239 28.737 29.700 0.460 0.000 0.745 396 E HN 0.573 nan 8.360 nan 0.000 0.458 397 W N 0.683 122.155 121.300 0.287 0.000 2.355 397 W HA -0.275 4.385 4.660 0.001 0.000 0.309 397 W C 2.281 178.921 176.519 0.202 0.000 1.206 397 W CA 1.607 59.077 57.345 0.209 0.000 1.284 397 W CB -0.569 28.988 29.460 0.161 0.000 1.145 397 W HN 0.088 nan 8.180 nan 0.000 0.502 398 Y N -0.419 120.078 120.300 0.329 0.000 2.128 398 Y HA -0.294 4.257 4.550 0.001 0.000 0.284 398 Y C 2.153 177.970 175.900 -0.137 0.000 1.154 398 Y CA 2.169 60.317 58.100 0.079 0.000 1.149 398 Y CB -1.548 36.937 38.460 0.041 0.000 0.976 398 Y HN 0.180 nan 8.280 nan 0.000 0.505 399 W N 1.371 122.462 121.300 -0.348 0.000 2.358 399 W HA -0.179 4.481 4.660 0.001 0.000 0.303 399 W C 2.611 178.933 176.519 -0.329 0.000 1.208 399 W CA 2.838 59.882 57.345 -0.501 0.000 1.274 399 W CB -0.343 28.803 29.460 -0.523 0.000 1.138 399 W HN 0.055 nan 8.180 nan 0.000 0.515 400 K N -0.013 120.342 120.400 -0.074 0.000 2.044 400 K HA -0.124 4.197 4.320 0.001 0.000 0.204 400 K C 2.127 178.485 176.600 -0.403 0.000 1.045 400 K CA 1.160 57.316 56.287 -0.219 0.000 0.951 400 K CB -0.225 32.279 32.500 0.006 0.000 0.738 400 K HN -0.130 nan 8.250 nan 0.000 0.443 401 K N 0.563 120.623 120.400 -0.566 0.000 2.076 401 K HA -0.008 4.313 4.320 0.001 0.000 0.204 401 K C 2.102 178.393 176.600 -0.514 0.000 1.051 401 K CA 0.781 56.659 56.287 -0.681 0.000 0.949 401 K CB 0.061 31.755 32.500 -1.344 0.000 0.726 401 K HN 0.248 nan 8.250 nan 0.000 0.443 402 I N -0.251 120.032 120.570 -0.478 0.000 2.731 402 I HA -0.003 4.168 4.170 0.001 0.000 0.260 402 I C 2.044 177.942 176.117 -0.364 0.000 1.138 402 I CA 1.082 62.188 61.300 -0.322 0.000 1.461 402 I CB -1.202 36.697 38.000 -0.167 0.000 1.128 402 I HN 0.079 nan 8.210 nan 0.000 0.438 403 G N 0.200 108.699 108.800 -0.501 0.000 3.088 403 G HA2 -0.029 3.931 3.960 0.001 0.000 0.217 403 G HA3 -0.029 3.931 3.960 0.001 0.000 0.217 403 G C 0.789 175.366 174.900 -0.539 0.000 1.159 403 G CA -0.178 44.603 45.100 -0.531 0.000 0.760 403 G HN 0.344 nan 8.290 nan 0.000 0.550 404 K N 0.346 120.450 120.400 -0.494 0.000 3.035 404 K HA -0.233 4.087 4.320 0.001 0.000 0.262 404 K C 0.451 176.728 176.600 -0.538 0.000 1.024 404 K CA 0.793 56.828 56.287 -0.419 0.000 0.748 404 K CB -1.381 30.946 32.500 -0.288 0.000 1.247 404 K HN 0.629 nan 8.250 nan 0.000 0.482 405 E N -2.332 117.311 120.200 -0.928 0.000 3.170 405 E HA -0.323 4.027 4.350 0.001 0.000 0.284 405 E C 0.365 176.394 176.600 -0.952 0.000 0.967 405 E CA 1.601 57.136 56.400 -1.441 0.000 0.919 405 E CB -0.702 28.559 29.700 -0.731 0.000 1.469 405 E HN 0.574 nan 8.360 nan 0.000 0.444 406 K N -0.653 119.341 120.400 -0.677 0.000 2.380 406 K HA 0.200 4.521 4.320 0.001 0.000 0.198 406 K C -0.058 176.393 176.600 -0.248 0.000 1.070 406 K CA 0.255 56.343 56.287 -0.332 0.000 1.040 406 K CB 1.020 33.376 32.500 -0.239 0.000 0.903 406 K HN 0.038 nan 8.250 nan 0.000 0.549 407 C N 2.832 121.906 119.300 -0.377 0.000 2.298 407 C HA 0.401 4.862 4.460 0.001 0.000 0.323 407 C C -2.459 172.491 174.990 -0.067 0.000 1.284 407 C CA -2.080 56.809 59.018 -0.216 0.000 1.577 407 C CB 0.788 28.357 27.740 -0.284 0.000 2.249 407 C HN 0.155 nan 8.230 nan 0.000 0.497 408 P HA 0.092 nan 4.420 nan 0.000 0.265 408 P C -0.603 176.725 177.300 0.048 0.000 1.193 408 P CA 0.232 63.416 63.100 0.139 0.000 0.765 408 P CB 0.391 32.157 31.700 0.109 0.000 0.823 409 V N 4.728 124.679 119.914 0.060 0.000 2.350 409 V HA 0.176 4.296 4.120 0.001 0.000 0.276 409 V C 0.369 176.532 176.094 0.115 0.000 1.028 409 V CA -0.573 61.706 62.300 -0.034 0.000 0.860 409 V CB 1.477 33.036 31.823 -0.440 0.000 0.990 409 V HN 0.369 nan 8.190 nan 0.000 0.453 410 V N 1.431 121.384 119.914 0.064 0.000 2.320 410 V HA 0.464 4.584 4.120 0.001 0.000 0.265 410 V C -0.065 176.036 176.094 0.011 0.000 1.048 410 V CA -0.546 61.737 62.300 -0.028 0.000 0.865 410 V CB 1.113 32.797 31.823 -0.232 0.000 1.043 410 V HN 0.778 nan 8.190 nan 0.000 0.474 411 D N 5.288 125.741 120.400 0.089 0.000 2.352 411 D HA 0.247 4.888 4.640 0.001 0.000 0.245 411 D C 0.549 176.864 176.300 0.025 0.000 1.224 411 D CA 0.141 54.219 54.000 0.131 0.000 0.879 411 D CB 1.101 42.033 40.800 0.220 0.000 1.057 411 D HN 0.886 nan 8.370 nan 0.000 0.491 412 T N 1.758 116.312 114.554 -0.000 0.000 2.743 412 T HA 0.339 4.689 4.350 0.001 0.000 0.292 412 T C -0.367 174.489 174.700 0.260 0.000 0.972 412 T CA -1.029 61.008 62.100 -0.105 0.000 0.967 412 T CB 0.310 68.759 68.868 -0.697 0.000 0.926 412 T HN 0.385 nan 8.240 nan 0.000 0.459 413 W N 8.016 129.407 121.300 0.151 0.000 2.390 413 W HA 0.652 5.312 4.660 0.001 0.000 0.312 413 W C -1.096 175.694 176.519 0.452 0.000 1.123 413 W CA -0.114 57.370 57.345 0.231 0.000 1.202 413 W CB 0.698 30.219 29.460 0.103 0.000 1.251 413 W HN 0.888 nan 8.180 nan 0.000 0.511 414 W N 4.435 125.080 121.300 -1.091 0.000 2.804 414 W HA 0.459 5.120 4.660 0.001 0.000 0.420 414 W C -1.986 174.098 176.519 -0.725 0.000 1.049 414 W CA -1.058 55.686 57.345 -1.001 0.000 1.133 414 W CB -0.039 29.300 29.460 -0.201 0.000 1.478 414 W HN 0.498 nan 8.180 nan 0.000 0.581 415 Q N -0.547 118.998 119.800 -0.425 0.000 2.648 415 Q HA 0.384 4.724 4.340 0.001 0.000 0.300 415 Q C 0.478 176.413 176.000 -0.109 0.000 0.954 415 Q CA -0.683 54.889 55.803 -0.385 0.000 0.757 415 Q CB 2.467 31.113 28.738 -0.153 0.000 1.482 415 Q HN 0.340 nan 8.270 nan 0.000 0.437 416 T N 0.431 114.951 114.554 -0.057 0.000 2.699 416 T HA -0.201 4.149 4.350 0.001 0.000 0.268 416 T C 1.015 175.945 174.700 0.384 0.000 1.036 416 T CA 2.239 64.448 62.100 0.181 0.000 1.147 416 T CB -0.141 68.824 68.868 0.162 0.000 0.862 416 T HN 0.518 nan 8.240 nan 0.000 0.446 417 E N 0.668 121.016 120.200 0.246 0.000 2.409 417 E HA -0.035 4.315 4.350 0.001 0.000 0.198 417 E C 2.322 179.098 176.600 0.293 0.000 1.024 417 E CA 1.140 57.643 56.400 0.173 0.000 0.861 417 E CB -0.230 29.458 29.700 -0.021 0.000 0.788 417 E HN 0.708 nan 8.360 nan 0.000 0.521 418 T N -4.441 110.384 114.554 0.451 0.000 3.022 418 T HA 0.307 4.657 4.350 0.001 0.000 0.250 418 T C 1.775 176.927 174.700 0.752 0.000 1.060 418 T CA 0.510 63.012 62.100 0.670 0.000 1.013 418 T CB 0.422 69.512 68.868 0.370 0.000 0.982 418 T HN 0.213 nan 8.240 nan 0.000 0.508 419 G N 0.714 109.955 108.800 0.735 0.000 2.507 419 G HA2 -0.032 3.928 3.960 0.001 0.000 0.240 419 G HA3 -0.032 3.928 3.960 0.001 0.000 0.240 419 G C 0.545 175.675 174.900 0.382 0.000 1.119 419 G CA 0.003 45.424 45.100 0.535 0.000 0.664 419 G HN 1.400 nan 8.290 nan 0.000 0.516 420 G N -1.499 107.503 108.800 0.336 0.000 2.721 420 G HA2 0.634 4.595 3.960 0.001 0.000 0.296 420 G HA3 0.634 4.595 3.960 0.001 0.000 0.296 420 G C -0.275 174.464 174.900 -0.268 0.000 1.383 420 G CA -0.706 44.221 45.100 -0.287 0.000 0.788 420 G HN 0.575 nan 8.290 nan 0.000 0.500 421 F N 0.714 120.243 119.950 -0.701 0.000 2.629 421 F HA 0.098 4.626 4.527 0.001 0.000 0.369 421 F C 1.667 177.376 175.800 -0.151 0.000 1.125 421 F CA -0.163 57.467 58.000 -0.616 0.000 1.330 421 F CB 0.592 39.136 39.000 -0.759 0.000 1.071 421 F HN 0.064 nan 8.300 nan 0.000 0.595 422 M N 2.700 122.440 119.600 0.234 0.000 2.724 422 M HA 0.334 4.815 4.480 0.001 0.000 0.231 422 M C -0.018 176.480 176.300 0.331 0.000 1.568 422 M CA 0.725 56.178 55.300 0.256 0.000 1.153 422 M CB 0.538 33.250 32.600 0.188 0.000 1.345 422 M HN 0.353 nan 8.290 nan 0.000 0.555 423 I N 0.311 121.117 120.570 0.393 0.000 2.478 423 I HA 0.453 4.624 4.170 0.001 0.000 0.287 423 I C -0.509 175.692 176.117 0.140 0.000 1.042 423 I CA -0.290 61.153 61.300 0.238 0.000 1.067 423 I CB 2.255 40.354 38.000 0.165 0.000 1.233 423 I HN 0.028 nan 8.210 nan 0.000 0.431 424 T N 6.333 120.890 114.554 0.006 0.000 2.977 424 T HA 0.414 4.764 4.350 0.001 0.000 0.345 424 T C -2.976 171.624 174.700 -0.167 0.000 1.562 424 T CA -1.021 61.010 62.100 -0.115 0.000 1.090 424 T CB 2.112 70.832 68.868 -0.246 0.000 1.383 424 T HN 0.156 nan 8.240 nan 0.000 0.484 425 P HA 0.534 nan 4.420 nan 0.000 0.274 425 P C -1.119 176.075 177.300 -0.177 0.000 1.237 425 P CA -0.563 62.413 63.100 -0.207 0.000 0.793 425 P CB 0.449 32.074 31.700 -0.125 0.000 0.977 426 L N 3.725 124.847 121.223 -0.168 0.000 2.313 426 L HA 0.394 4.734 4.340 0.001 0.000 0.283 426 L C -1.521 175.322 176.870 -0.045 0.000 1.013 426 L CA -1.789 53.004 54.840 -0.079 0.000 0.816 426 L CB 1.514 43.552 42.059 -0.036 0.000 1.236 426 L HN 0.309 nan 8.230 nan 0.000 0.419 427 P HA -0.023 nan 4.420 nan 0.000 0.221 427 P C 1.005 178.335 177.300 0.049 0.000 1.150 427 P CA 0.764 63.882 63.100 0.030 0.000 0.800 427 P CB 0.412 32.142 31.700 0.049 0.000 0.787 428 G N -1.262 107.572 108.800 0.057 0.000 3.233 428 G HA2 0.320 4.281 3.960 0.001 0.000 0.234 428 G HA3 0.320 4.281 3.960 0.001 0.000 0.234 428 G C 1.140 176.069 174.900 0.048 0.000 1.137 428 G CA 0.591 45.729 45.100 0.063 0.000 0.763 428 G HN 0.338 nan 8.290 nan 0.000 0.549 429 A N -0.070 122.757 122.820 0.013 0.000 2.074 429 A HA 0.590 4.910 4.320 0.001 0.000 0.200 429 A C 0.527 178.055 177.584 -0.093 0.000 1.335 429 A CA 0.232 52.259 52.037 -0.016 0.000 0.922 429 A CB 0.490 19.485 19.000 -0.009 0.000 0.972 429 A HN 0.214 nan 8.150 nan 0.000 0.475 430 I N 1.426 121.923 120.570 -0.121 0.000 2.418 430 I HA 0.237 4.407 4.170 0.001 0.000 0.287 430 I C -0.824 175.283 176.117 -0.015 0.000 1.008 430 I CA -0.481 60.731 61.300 -0.146 0.000 1.104 430 I CB 1.938 39.739 38.000 -0.333 0.000 1.264 430 I HN 0.201 nan 8.210 nan 0.000 0.438 431 E N 6.068 126.305 120.200 0.061 0.000 2.398 431 E HA 0.329 4.680 4.350 0.001 0.000 0.263 431 E C -0.897 175.800 176.600 0.162 0.000 1.046 431 E CA -0.269 56.195 56.400 0.107 0.000 0.908 431 E CB 1.097 30.848 29.700 0.085 0.000 0.963 431 E HN 0.406 nan 8.360 nan 0.000 0.431 432 L N 2.584 123.891 121.223 0.140 0.000 2.334 432 L HA 0.432 4.773 4.340 0.001 0.000 0.275 432 L C 0.051 176.898 176.870 -0.038 0.000 1.036 432 L CA -0.666 54.237 54.840 0.105 0.000 0.807 432 L CB 0.873 43.043 42.059 0.186 0.000 1.231 432 L HN 0.307 nan 8.230 nan 0.000 0.438 433 K N 1.823 122.122 120.400 -0.168 0.000 2.376 433 K HA 0.577 4.897 4.320 0.001 0.000 0.257 433 K C -0.590 175.579 176.600 -0.718 0.000 0.939 433 K CA -0.699 55.389 56.287 -0.331 0.000 0.809 433 K CB 2.227 34.613 32.500 -0.190 0.000 1.121 433 K HN 0.684 nan 8.250 nan 0.000 0.425 434 A N 1.710 123.985 122.820 -0.908 0.000 2.537 434 A HA 0.384 4.704 4.320 0.001 0.000 0.260 434 A C 1.225 178.436 177.584 -0.621 0.000 1.082 434 A CA 1.152 52.334 52.037 -1.425 0.000 0.765 434 A CB -0.864 17.687 19.000 -0.749 0.000 1.019 434 A HN 1.017 nan 8.150 nan 0.000 0.507 435 G N 1.266 109.695 108.800 -0.618 0.000 2.176 435 G HA2 -0.154 3.807 3.960 0.001 0.000 0.232 435 G HA3 -0.154 3.807 3.960 0.001 0.000 0.232 435 G C 0.500 175.231 174.900 -0.282 0.000 0.986 435 G CA 0.484 45.530 45.100 -0.090 0.000 0.643 435 G HN 1.766 nan 8.290 nan 0.000 0.522 436 S N -0.028 115.218 115.700 -0.757 0.000 2.489 436 S HA 0.743 5.213 4.470 0.001 0.000 0.291 436 S C 1.415 175.767 174.600 -0.413 0.000 1.151 436 S CA 0.627 58.229 58.200 -0.998 0.000 1.082 436 S CB 1.478 63.667 63.200 -1.685 0.000 1.019 436 S HN 1.513 nan 8.310 nan 0.000 0.492 437 A N 3.620 126.277 122.820 -0.272 0.000 2.119 437 A HA 0.249 4.569 4.320 0.001 0.000 0.216 437 A C 1.493 178.957 177.584 -0.201 0.000 1.152 437 A CA 1.646 53.617 52.037 -0.109 0.000 0.708 437 A CB -1.411 17.611 19.000 0.036 0.000 0.805 437 A HN 2.014 nan 8.150 nan 0.000 0.460 438 T N -2.674 111.675 114.554 -0.342 0.000 14.125 438 T HA -0.260 4.091 4.350 0.001 0.000 0.419 438 T C 0.239 174.702 174.700 -0.396 0.000 1.441 438 T CA 1.188 62.907 62.100 -0.636 0.000 2.333 438 T CB -1.145 67.219 68.868 -0.840 0.000 2.760 438 T HN 0.734 nan 8.240 nan 0.000 0.277 439 R N 2.625 122.892 120.500 -0.388 0.000 2.787 439 R HA 0.663 5.003 4.340 0.001 0.000 0.271 439 R C -2.507 173.760 176.300 -0.055 0.000 0.993 439 R CA -2.143 53.834 56.100 -0.205 0.000 0.993 439 R CB 1.500 31.586 30.300 -0.357 0.000 1.155 439 R HN 0.575 nan 8.270 nan 0.000 0.486 440 P HA -0.037 nan 4.420 nan 0.000 0.271 440 P C -0.654 176.774 177.300 0.215 0.000 1.218 440 P CA -0.021 63.146 63.100 0.112 0.000 0.780 440 P CB 0.468 32.260 31.700 0.152 0.000 0.901 441 F N 2.510 122.548 119.950 0.146 0.000 2.399 441 F HA 0.274 4.801 4.527 0.001 0.000 0.313 441 F C 0.523 176.518 175.800 0.325 0.000 1.202 441 F CA -0.431 57.628 58.000 0.098 0.000 1.192 441 F CB 0.030 39.084 39.000 0.090 0.000 1.256 441 F HN 0.186 nan 8.300 nan 0.000 0.558 442 F N 2.385 122.036 119.950 -0.499 0.000 2.612 442 F HA 0.224 4.751 4.527 0.001 0.000 0.389 442 F C 1.462 177.405 175.800 0.238 0.000 1.055 442 F CA 0.573 58.361 58.000 -0.355 0.000 1.232 442 F CB -0.364 38.179 39.000 -0.762 0.000 1.044 442 F HN 0.737 nan 8.300 nan 0.000 0.560 443 G N 1.905 110.860 108.800 0.258 0.000 2.176 443 G HA2 -0.263 3.698 3.960 0.001 0.000 0.253 443 G HA3 -0.263 3.698 3.960 0.001 0.000 0.253 443 G C -0.341 174.853 174.900 0.491 0.000 0.979 443 G CA -0.071 45.367 45.100 0.564 0.000 0.641 443 G HN 0.577 nan 8.290 nan 0.000 0.530 444 V N 1.123 121.299 119.914 0.437 0.000 2.370 444 V HA 0.535 4.655 4.120 0.001 0.000 0.279 444 V C 0.207 176.502 176.094 0.335 0.000 1.029 444 V CA -0.290 62.211 62.300 0.335 0.000 0.870 444 V CB 1.564 33.545 31.823 0.264 0.000 0.984 444 V HN 0.380 nan 8.190 nan 0.000 0.451 445 Q N 6.507 126.477 119.800 0.284 0.000 2.508 445 Q HA 0.356 4.697 4.340 0.001 0.000 0.247 445 Q C -2.611 173.519 176.000 0.217 0.000 1.047 445 Q CA -1.685 54.278 55.803 0.267 0.000 0.783 445 Q CB 2.065 30.949 28.738 0.243 0.000 1.172 445 Q HN 0.517 nan 8.270 nan 0.000 0.515 446 P HA 0.465 nan 4.420 nan 0.000 0.279 446 P C -1.128 176.240 177.300 0.115 0.000 1.252 446 P CA -0.360 62.760 63.100 0.032 0.000 0.811 446 P CB 1.427 32.939 31.700 -0.314 0.000 1.035 447 A N 1.534 124.416 122.820 0.103 0.000 2.587 447 A HA 0.731 5.052 4.320 0.001 0.000 0.293 447 A C -1.470 176.170 177.584 0.093 0.000 1.087 447 A CA -0.751 51.367 52.037 0.134 0.000 0.692 447 A CB 0.993 20.058 19.000 0.107 0.000 1.291 447 A HN 0.418 nan 8.150 nan 0.000 0.407 448 L N 1.502 122.782 121.223 0.094 0.000 2.313 448 L HA 0.713 5.054 4.340 0.001 0.000 0.283 448 L C -0.308 176.531 176.870 -0.053 0.000 1.013 448 L CA -1.059 53.801 54.840 0.034 0.000 0.816 448 L CB 1.596 43.706 42.059 0.085 0.000 1.236 448 L HN 0.676 nan 8.230 nan 0.000 0.419 449 V N -1.419 118.389 119.914 -0.176 0.000 2.864 449 V HA 0.615 4.736 4.120 0.001 0.000 0.314 449 V C -0.512 175.448 176.094 -0.225 0.000 1.073 449 V CA -0.850 61.286 62.300 -0.275 0.000 0.956 449 V CB 1.947 33.393 31.823 -0.629 0.000 1.023 449 V HN 0.771 nan 8.190 nan 0.000 0.435 450 D N 2.174 122.504 120.400 -0.118 0.000 2.398 450 D HA 0.134 4.775 4.640 0.001 0.000 0.264 450 D C 0.678 176.966 176.300 -0.020 0.000 1.263 450 D CA -0.327 53.652 54.000 -0.035 0.000 1.037 450 D CB 0.186 41.016 40.800 0.051 0.000 1.101 450 D HN 0.433 nan 8.370 nan 0.000 0.551 451 N N -0.703 118.026 118.700 0.049 0.000 2.453 451 N HA -0.102 4.639 4.740 0.001 0.000 0.183 451 N C 0.451 176.027 175.510 0.110 0.000 1.041 451 N CA 0.695 53.805 53.050 0.100 0.000 0.900 451 N CB -0.089 38.430 38.487 0.054 0.000 0.961 451 N HN 0.465 nan 8.380 nan 0.000 0.443 452 E N -1.069 119.139 120.200 0.013 0.000 2.465 452 E HA 0.303 4.654 4.350 0.001 0.000 0.195 452 E C 1.016 177.503 176.600 -0.188 0.000 1.028 452 E CA 0.090 56.422 56.400 -0.113 0.000 0.899 452 E CB 0.108 29.672 29.700 -0.228 0.000 1.032 452 E HN 0.234 nan 8.360 nan 0.000 0.468 453 G N 0.915 109.703 108.800 -0.019 0.000 2.159 453 G HA2 -0.334 3.627 3.960 0.001 0.000 0.256 453 G HA3 -0.334 3.627 3.960 0.001 0.000 0.256 453 G C -0.283 174.507 174.900 -0.183 0.000 0.977 453 G CA -0.005 45.022 45.100 -0.122 0.000 0.652 453 G HN 0.517 nan 8.290 nan 0.000 0.531 454 H N 1.728 120.777 119.070 -0.034 0.000 3.026 454 H HA 0.365 4.921 4.556 0.001 0.000 0.289 454 H C -2.101 173.190 175.328 -0.061 0.000 1.022 454 H CA -1.285 54.746 56.048 -0.028 0.000 1.477 454 H CB 0.695 30.452 29.762 -0.009 0.000 1.510 454 H HN 0.180 nan 8.280 nan 0.000 0.535 455 P HA -0.046 nan 4.420 nan 0.000 0.268 455 P C -0.541 176.781 177.300 0.036 0.000 1.204 455 P CA -0.022 63.092 63.100 0.023 0.000 0.768 455 P CB 0.693 32.418 31.700 0.042 0.000 0.842 456 Q N 2.539 122.352 119.800 0.022 0.000 2.290 456 Q HA 0.286 4.627 4.340 0.001 0.000 0.259 456 Q C -0.037 175.977 176.000 0.024 0.000 0.941 456 Q CA -0.212 55.604 55.803 0.021 0.000 0.912 456 Q CB 1.576 30.322 28.738 0.013 0.000 1.244 456 Q HN 0.492 nan 8.270 nan 0.000 0.441 457 E N 0.497 120.707 120.200 0.017 0.000 2.248 457 E HA 0.625 4.975 4.350 0.001 0.000 0.272 457 E C 0.403 177.004 176.600 0.003 0.000 1.008 457 E CA -0.412 55.998 56.400 0.017 0.000 0.856 457 E CB 1.163 30.873 29.700 0.016 0.000 1.120 457 E HN 0.778 nan 8.360 nan 0.000 0.397 458 G N 1.526 110.326 108.800 0.000 0.000 2.562 458 G HA2 -0.220 3.741 3.960 0.001 0.000 0.250 458 G HA3 -0.220 3.741 3.960 0.001 0.000 0.250 458 G C -0.249 174.632 174.900 -0.033 0.000 1.269 458 G CA -0.452 44.640 45.100 -0.015 0.000 0.919 458 G HN 0.812 nan 8.290 nan 0.000 0.574 459 A N -0.017 122.780 122.820 -0.039 0.000 2.438 459 A HA 0.699 5.020 4.320 0.001 0.000 0.280 459 A C 0.664 178.220 177.584 -0.046 0.000 1.160 459 A CA 1.839 53.845 52.037 -0.052 0.000 0.821 459 A CB 0.091 19.057 19.000 -0.056 0.000 1.101 459 A HN 2.173 nan 8.150 nan 0.000 0.515 460 T N 1.296 115.823 114.554 -0.045 0.000 2.693 460 T HA 0.547 4.898 4.350 0.001 0.000 0.304 460 T C -1.403 173.285 174.700 -0.020 0.000 1.471 460 T CA -0.353 61.729 62.100 -0.029 0.000 0.993 460 T CB 1.115 69.975 68.868 -0.014 0.000 1.554 460 T HN 0.791 nan 8.240 nan 0.000 0.496 461 E N 0.172 120.368 120.200 -0.007 0.000 2.378 461 E HA 0.790 5.141 4.350 0.001 0.000 0.265 461 E C -0.152 176.460 176.600 0.019 0.000 0.932 461 E CA -1.315 55.093 56.400 0.013 0.000 0.795 461 E CB 2.215 31.919 29.700 0.007 0.000 1.296 461 E HN 1.030 nan 8.360 nan 0.000 0.438 462 G N 0.419 109.238 108.800 0.032 0.000 2.320 462 G HA2 0.090 4.050 3.960 0.001 0.000 0.296 462 G HA3 0.090 4.050 3.960 0.001 0.000 0.296 462 G C -1.463 173.460 174.900 0.037 0.000 1.306 462 G CA -1.048 44.062 45.100 0.018 0.000 0.836 462 G HN 0.428 nan 8.290 nan 0.000 0.517 463 N N 0.227 118.934 118.700 0.011 0.000 2.497 463 N HA 0.233 4.973 4.740 0.001 0.000 0.268 463 N C -0.515 175.047 175.510 0.086 0.000 1.171 463 N CA -0.185 52.930 53.050 0.108 0.000 0.948 463 N CB 2.062 40.576 38.487 0.045 0.000 1.069 463 N HN 0.413 nan 8.380 nan 0.000 0.460 464 L N 4.189 125.523 121.223 0.185 0.000 2.278 464 L HA 0.245 4.585 4.340 0.001 0.000 0.287 464 L C -0.250 176.736 176.870 0.194 0.000 1.072 464 L CA -0.422 54.464 54.840 0.076 0.000 0.819 464 L CB 0.479 42.475 42.059 -0.104 0.000 1.176 464 L HN 0.308 nan 8.230 nan 0.000 0.435 465 V N 3.472 123.467 119.914 0.136 0.000 3.019 465 V HA 0.671 4.791 4.120 0.001 0.000 0.317 465 V C -0.335 175.912 176.094 0.255 0.000 1.094 465 V CA -0.896 61.539 62.300 0.226 0.000 1.000 465 V CB 2.181 34.091 31.823 0.146 0.000 1.060 465 V HN 0.508 nan 8.190 nan 0.000 0.443 466 I N 2.527 123.351 120.570 0.424 0.000 2.389 466 I HA 0.342 4.512 4.170 0.001 0.000 0.288 466 I C 1.268 177.750 176.117 0.608 0.000 0.999 466 I CA 0.063 61.642 61.300 0.464 0.000 1.129 466 I CB 1.520 39.810 38.000 0.484 0.000 1.288 466 I HN 0.993 nan 8.210 nan 0.000 0.444 467 T N -0.026 114.810 114.554 0.471 0.000 3.113 467 T HA 0.101 4.451 4.350 0.001 0.000 0.256 467 T C 0.399 175.358 174.700 0.431 0.000 1.131 467 T CA 0.404 62.771 62.100 0.445 0.000 1.074 467 T CB 0.245 69.278 68.868 0.276 0.000 0.944 467 T HN 0.552 nan 8.240 nan 0.000 0.516 468 D N -0.242 120.445 120.400 0.479 0.000 2.599 468 D HA 0.399 5.040 4.640 0.001 0.000 0.252 468 D C -1.136 175.417 176.300 0.421 0.000 1.232 468 D CA -0.486 53.599 54.000 0.142 0.000 0.819 468 D CB 2.320 43.200 40.800 0.133 0.000 1.401 468 D HN 0.055 nan 8.370 nan 0.000 0.429 469 S N 0.249 116.009 115.700 0.101 0.000 2.589 469 S HA 0.608 5.079 4.470 0.001 0.000 0.265 469 S C -0.843 174.140 174.600 0.639 0.000 1.342 469 S CA -0.275 58.150 58.200 0.375 0.000 1.005 469 S CB 0.255 63.571 63.200 0.193 0.000 0.909 469 S HN 0.355 nan 8.310 nan 0.000 0.555 470 W N 1.123 122.537 121.300 0.190 0.000 3.083 470 W HA 0.546 5.206 4.660 0.001 0.000 0.333 470 W C -2.934 172.875 176.519 -1.184 0.000 1.217 470 W CA -1.885 55.226 57.345 -0.390 0.000 1.170 470 W CB 0.008 29.276 29.460 -0.321 0.000 1.437 470 W HN 0.335 nan 8.180 nan 0.000 0.557 471 P HA -0.029 nan 4.420 nan 0.000 0.218 471 P C 1.560 178.236 177.300 -1.041 0.000 1.149 471 P CA 2.518 64.351 63.100 -2.111 0.000 0.817 471 P CB 0.099 30.835 31.700 -1.607 0.000 0.785 472 G N -1.009 107.253 108.800 -0.897 0.000 3.088 472 G HA2 -0.085 3.876 3.960 0.001 0.000 0.212 472 G HA3 -0.085 3.876 3.960 0.001 0.000 0.212 472 G C 0.469 175.311 174.900 -0.097 0.000 1.173 472 G CA -0.136 44.795 45.100 -0.281 0.000 0.779 472 G HN 0.280 nan 8.290 nan 0.000 0.540 473 Q N 1.041 120.437 119.800 -0.674 0.000 2.300 473 Q HA 0.444 4.784 4.340 0.001 0.000 0.280 473 Q C 0.620 176.517 176.000 -0.171 0.000 1.033 473 Q CA -0.515 54.921 55.803 -0.612 0.000 0.903 473 Q CB 0.607 28.539 28.738 -1.344 0.000 1.195 473 Q HN 0.234 nan 8.270 nan 0.000 0.386 474 A N 4.394 127.146 122.820 -0.113 0.000 2.561 474 A HA -0.044 4.276 4.320 0.001 0.000 0.234 474 A C 0.524 177.973 177.584 -0.225 0.000 1.055 474 A CA -0.033 51.734 52.037 -0.449 0.000 0.756 474 A CB 0.366 19.104 19.000 -0.436 0.000 0.986 474 A HN 0.907 nan 8.150 nan 0.000 0.505 475 R N 0.186 120.464 120.500 -0.370 0.000 2.189 475 R HA 0.172 4.512 4.340 0.001 0.000 0.203 475 R C 0.631 176.477 176.300 -0.757 0.000 1.012 475 R CA 1.211 57.120 56.100 -0.317 0.000 1.015 475 R CB -0.381 29.786 30.300 -0.222 0.000 0.938 475 R HN 0.830 nan 8.270 nan 0.000 0.472 476 T N -0.913 112.984 114.554 -1.095 0.000 2.677 476 T HA 0.461 4.812 4.350 0.001 0.000 0.305 476 T C -1.782 172.500 174.700 -0.697 0.000 1.569 476 T CA -0.639 60.642 62.100 -1.366 0.000 0.984 476 T CB 0.659 69.281 68.868 -0.409 0.000 1.629 476 T HN -0.079 nan 8.240 nan 0.000 0.494 477 L N 2.041 123.125 121.223 -0.231 0.000 2.325 477 L HA 0.601 4.942 4.340 0.001 0.000 0.278 477 L C -0.258 176.634 176.870 0.035 0.000 1.023 477 L CA -1.003 53.864 54.840 0.045 0.000 0.811 477 L CB 1.205 43.401 42.059 0.229 0.000 1.249 477 L HN 0.670 nan 8.230 nan 0.000 0.431 478 F N 2.579 122.479 119.950 -0.083 0.000 2.557 478 F HA 0.325 4.852 4.527 0.001 0.000 0.384 478 F C 1.188 176.986 175.800 -0.003 0.000 1.057 478 F CA 0.772 58.731 58.000 -0.067 0.000 1.169 478 F CB 0.216 39.163 39.000 -0.089 0.000 1.070 478 F HN 0.708 nan 8.300 nan 0.000 0.554 479 G N 3.930 112.325 108.800 -0.675 0.000 2.148 479 G HA2 -0.287 3.674 3.960 0.001 0.000 0.254 479 G HA3 -0.287 3.674 3.960 0.001 0.000 0.254 479 G C -0.208 174.574 174.900 -0.196 0.000 0.981 479 G CA 0.300 45.068 45.100 -0.553 0.000 0.670 479 G HN 0.847 nan 8.290 nan 0.000 0.528 480 D N -1.748 118.606 120.400 -0.077 0.000 2.934 480 D HA 0.273 4.914 4.640 0.001 0.000 0.249 480 D C 0.695 177.072 176.300 0.129 0.000 1.293 480 D CA -0.486 53.533 54.000 0.031 0.000 0.812 480 D CB -0.162 40.666 40.800 0.046 0.000 1.439 480 D HN 0.169 nan 8.370 nan 0.000 0.555 481 H N 1.092 120.180 119.070 0.031 0.000 2.423 481 H HA 0.072 4.629 4.556 0.001 0.000 0.297 481 H C 1.388 176.833 175.328 0.195 0.000 1.075 481 H CA 1.871 57.986 56.048 0.112 0.000 1.342 481 H CB 0.657 30.442 29.762 0.039 0.000 1.395 481 H HN 0.344 nan 8.280 nan 0.000 0.530 482 E N -0.294 119.979 120.200 0.121 0.000 2.058 482 E HA -0.220 4.130 4.350 0.001 0.000 0.194 482 E C 2.280 178.910 176.600 0.050 0.000 0.997 482 E CA 1.129 57.565 56.400 0.060 0.000 0.801 482 E CB 0.024 29.758 29.700 0.056 0.000 0.746 482 E HN 0.233 nan 8.360 nan 0.000 0.450 483 R N 0.238 120.784 120.500 0.075 0.000 2.096 483 R HA -0.160 4.180 4.340 0.001 0.000 0.235 483 R C 1.965 178.327 176.300 0.105 0.000 1.127 483 R CA 1.164 57.304 56.100 0.066 0.000 0.968 483 R CB -0.554 29.791 30.300 0.075 0.000 0.861 483 R HN 0.172 nan 8.270 nan 0.000 0.440 484 F N 1.586 121.553 119.950 0.029 0.000 2.046 484 F HA -0.209 4.318 4.527 0.001 0.000 0.297 484 F C 1.725 177.652 175.800 0.210 0.000 1.123 484 F CA 2.266 60.358 58.000 0.153 0.000 1.199 484 F CB -0.403 38.643 39.000 0.077 0.000 0.972 484 F HN 0.136 nan 8.300 nan 0.000 0.474 485 E N -0.601 119.612 120.200 0.021 0.000 2.058 485 E HA -0.301 4.050 4.350 0.001 0.000 0.194 485 E C 2.231 178.854 176.600 0.039 0.000 0.997 485 E CA 1.553 57.968 56.400 0.026 0.000 0.801 485 E CB -0.594 29.075 29.700 -0.051 0.000 0.746 485 E HN 0.419 nan 8.360 nan 0.000 0.450 486 Q N 0.236 120.023 119.800 -0.020 0.000 2.061 486 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 486 Q C 2.310 178.214 176.000 -0.160 0.000 0.984 486 Q CA 2.170 57.935 55.803 -0.064 0.000 0.846 486 Q CB -0.774 27.933 28.738 -0.052 0.000 0.902 486 Q HN 0.504 nan 8.270 nan 0.000 0.421 487 T N -0.697 113.686 114.554 -0.286 0.000 2.812 487 T HA -0.049 4.302 4.350 0.001 0.000 0.264 487 T C 1.257 175.520 174.700 -0.728 0.000 1.042 487 T CA 1.698 63.449 62.100 -0.581 0.000 1.140 487 T CB -0.247 68.088 68.868 -0.888 0.000 0.870 487 T HN 0.705 nan 8.240 nan 0.000 0.445 488 Y N -1.522 118.570 120.300 -0.345 0.000 2.498 488 Y HA 0.399 4.950 4.550 0.001 0.000 0.259 488 Y C 1.032 176.433 175.900 -0.831 0.000 1.086 488 Y CA -0.328 57.351 58.100 -0.702 0.000 1.287 488 Y CB 0.459 38.321 38.460 -0.996 0.000 1.146 488 Y HN 0.134 nan 8.280 nan 0.000 0.523 489 F N -1.494 118.396 119.950 -0.100 0.000 2.772 489 F HA 0.190 4.717 4.527 0.001 0.000 0.316 489 F C 1.690 177.456 175.800 -0.057 0.000 1.114 489 F CA -0.013 57.942 58.000 -0.075 0.000 1.191 489 F CB 0.508 39.437 39.000 -0.119 0.000 1.065 489 F HN -0.042 nan 8.300 nan 0.000 0.534 490 S N -2.150 113.557 115.700 0.012 0.000 2.506 490 S HA -0.005 4.465 4.470 0.001 0.000 0.219 490 S C 1.630 176.138 174.600 -0.153 0.000 1.031 490 S CA 0.650 58.826 58.200 -0.040 0.000 0.911 490 S CB -0.416 62.751 63.200 -0.055 0.000 0.812 490 S HN 0.124 nan 8.310 nan 0.000 0.497 491 T N 1.416 115.799 114.554 -0.286 0.000 2.812 491 T HA 0.246 4.596 4.350 0.001 0.000 0.264 491 T C -0.198 173.976 174.700 -0.877 0.000 1.042 491 T CA 0.820 62.520 62.100 -0.666 0.000 1.140 491 T CB -0.363 67.921 68.868 -0.975 0.000 0.870 491 T HN 0.496 nan 8.240 nan 0.000 0.445 492 F N 1.765 121.636 119.950 -0.131 0.000 2.646 492 F HA 0.330 4.858 4.527 0.001 0.000 0.364 492 F C -0.009 175.805 175.800 0.025 0.000 1.137 492 F CA -1.281 56.665 58.000 -0.090 0.000 1.085 492 F CB 0.921 39.835 39.000 -0.142 0.000 1.331 492 F HN -0.396 nan 8.300 nan 0.000 0.472 493 K N 2.313 122.818 120.400 0.175 0.000 2.530 493 K HA -0.053 4.268 4.320 0.001 0.000 0.280 493 K C 0.660 177.406 176.600 0.244 0.000 1.004 493 K CA 0.253 56.646 56.287 0.176 0.000 1.071 493 K CB -0.274 32.297 32.500 0.119 0.000 0.876 493 K HN 0.844 nan 8.250 nan 0.000 0.487 494 N N -0.427 118.456 118.700 0.305 0.000 2.850 494 N HA -0.182 4.559 4.740 0.001 0.000 0.249 494 N C -0.564 175.293 175.510 0.579 0.000 1.060 494 N CA 1.329 54.616 53.050 0.395 0.000 0.825 494 N CB -0.985 37.661 38.487 0.265 0.000 1.132 494 N HN 0.605 nan 8.380 nan 0.000 0.564 495 M N 0.073 119.993 119.600 0.533 0.000 2.446 495 M HA 0.234 4.715 4.480 0.001 0.000 0.294 495 M C -0.612 175.852 176.300 0.273 0.000 1.158 495 M CA -0.715 54.897 55.300 0.520 0.000 0.899 495 M CB 2.359 35.178 32.600 0.366 0.000 1.687 495 M HN 0.089 nan 8.290 nan 0.000 0.455 496 Y N 3.000 123.316 120.300 0.026 0.000 2.436 496 Y HA 0.328 4.879 4.550 0.001 0.000 0.336 496 Y C -1.365 174.584 175.900 0.082 0.000 1.049 496 Y CA -0.186 57.719 58.100 -0.325 0.000 1.294 496 Y CB 0.319 38.693 38.460 -0.143 0.000 1.179 496 Y HN 0.490 nan 8.280 nan 0.000 0.520 497 F N 6.322 125.801 119.950 -0.785 0.000 2.405 497 F HA 0.278 4.805 4.527 0.001 0.000 0.355 497 F C 1.097 176.491 175.800 -0.676 0.000 1.121 497 F CA -1.081 56.661 58.000 -0.430 0.000 1.112 497 F CB 1.096 40.028 39.000 -0.114 0.000 1.126 497 F HN 0.604 nan 8.300 nan 0.000 0.481 498 S N 3.337 118.718 115.700 -0.531 0.000 2.414 498 S HA 0.194 4.665 4.470 0.001 0.000 0.227 498 S C 1.636 175.919 174.600 -0.529 0.000 1.022 498 S CA 0.579 58.594 58.200 -0.308 0.000 0.958 498 S CB -0.536 62.842 63.200 0.297 0.000 0.797 498 S HN 1.760 nan 8.310 nan 0.000 0.493 499 G N 0.781 108.829 108.800 -1.253 0.000 2.175 499 G HA2 -0.161 3.800 3.960 0.001 0.000 0.244 499 G HA3 -0.161 3.800 3.960 0.001 0.000 0.244 499 G C -0.430 174.311 174.900 -0.265 0.000 0.982 499 G CA 0.160 44.701 45.100 -0.931 0.000 0.641 499 G HN 0.546 nan 8.290 nan 0.000 0.527 500 D N 0.437 120.778 120.400 -0.099 0.000 2.217 500 D HA 0.581 5.222 4.640 0.001 0.000 0.248 500 D C 0.721 177.082 176.300 0.102 0.000 1.008 500 D CA 0.712 54.748 54.000 0.059 0.000 0.914 500 D CB 1.472 42.343 40.800 0.119 0.000 1.182 500 D HN 0.385 nan 8.370 nan 0.000 0.451 501 G N -0.673 108.177 108.800 0.084 0.000 2.410 501 G HA2 0.655 4.615 3.960 0.001 0.000 0.330 501 G HA3 0.655 4.615 3.960 0.001 0.000 0.330 501 G C -1.134 173.784 174.900 0.030 0.000 1.142 501 G CA -0.428 44.720 45.100 0.080 0.000 0.902 501 G HN 0.522 nan 8.290 nan 0.000 0.491 502 A N 1.262 124.109 122.820 0.045 0.000 2.606 502 A HA 0.879 5.200 4.320 0.001 0.000 0.293 502 A C -0.404 177.246 177.584 0.111 0.000 1.082 502 A CA -0.885 51.194 52.037 0.070 0.000 0.685 502 A CB 1.690 20.716 19.000 0.043 0.000 1.284 502 A HN 1.206 nan 8.150 nan 0.000 0.408 503 R N 0.721 121.312 120.500 0.152 0.000 2.711 503 R HA 0.824 5.164 4.340 0.001 0.000 0.284 503 R C -0.617 175.768 176.300 0.141 0.000 0.968 503 R CA -0.715 55.446 56.100 0.103 0.000 0.924 503 R CB 1.717 32.026 30.300 0.014 0.000 1.162 503 R HN 0.726 nan 8.270 nan 0.000 0.465 504 R N 1.855 122.348 120.500 -0.012 0.000 2.494 504 R HA 0.196 4.536 4.340 0.001 0.000 0.305 504 R C -0.967 175.300 176.300 -0.054 0.000 0.959 504 R CA -0.639 55.350 56.100 -0.184 0.000 0.864 504 R CB 1.157 31.166 30.300 -0.485 0.000 1.159 504 R HN 0.934 nan 8.270 nan 0.000 0.446 505 D N 2.902 123.330 120.400 0.047 0.000 2.506 505 D HA 0.131 4.772 4.640 0.001 0.000 0.272 505 D C 1.100 177.386 176.300 -0.023 0.000 1.214 505 D CA 0.056 54.069 54.000 0.021 0.000 1.067 505 D CB 0.184 41.049 40.800 0.109 0.000 1.117 505 D HN 0.556 nan 8.370 nan 0.000 0.578 506 E N -0.416 119.760 120.200 -0.040 0.000 2.160 506 E HA -0.182 4.169 4.350 0.001 0.000 0.195 506 E C 1.290 177.872 176.600 -0.030 0.000 0.991 506 E CA 1.732 58.106 56.400 -0.043 0.000 0.810 506 E CB -0.943 28.724 29.700 -0.055 0.000 0.742 506 E HN 0.554 nan 8.360 nan 0.000 0.466 507 D N -1.154 119.225 120.400 -0.035 0.000 2.349 507 D HA 0.187 4.827 4.640 0.001 0.000 0.224 507 D C 1.410 177.781 176.300 0.117 0.000 1.029 507 D CA 0.988 54.986 54.000 -0.003 0.000 0.879 507 D CB 0.407 41.109 40.800 -0.164 0.000 0.906 507 D HN 0.624 nan 8.370 nan 0.000 0.528 508 G N 0.378 109.215 108.800 0.061 0.000 2.157 508 G HA2 -0.295 3.666 3.960 0.001 0.000 0.248 508 G HA3 -0.295 3.666 3.960 0.001 0.000 0.248 508 G C -0.068 174.816 174.900 -0.025 0.000 0.979 508 G CA -0.333 44.762 45.100 -0.009 0.000 0.650 508 G HN 0.229 nan 8.290 nan 0.000 0.529 509 Y N 0.281 120.488 120.300 -0.155 0.000 2.442 509 Y HA 0.521 5.072 4.550 0.001 0.000 0.330 509 Y C 0.910 176.676 175.900 -0.222 0.000 1.129 509 Y CA -0.900 57.102 58.100 -0.164 0.000 1.365 509 Y CB 0.185 38.552 38.460 -0.156 0.000 1.233 509 Y HN 0.212 nan 8.280 nan 0.000 0.529 510 Y N 1.425 121.690 120.300 -0.059 0.000 2.310 510 Y HA 0.252 4.802 4.550 0.001 0.000 0.326 510 Y C -0.843 174.950 175.900 -0.178 0.000 1.151 510 Y CA -0.636 57.441 58.100 -0.038 0.000 1.195 510 Y CB 0.755 39.149 38.460 -0.110 0.000 1.210 510 Y HN 0.517 nan 8.280 nan 0.000 0.483 511 W N 4.540 125.892 121.300 0.086 0.000 2.393 511 W HA 0.501 5.161 4.660 0.001 0.000 0.315 511 W C -1.449 175.073 176.519 0.006 0.000 1.009 511 W CA -0.695 56.672 57.345 0.036 0.000 1.313 511 W CB 0.580 30.043 29.460 0.006 0.000 1.269 511 W HN 0.206 nan 8.180 nan 0.000 0.420 512 I N 3.104 123.747 120.570 0.121 0.000 2.396 512 I HA 0.100 4.271 4.170 0.001 0.000 0.289 512 I C 1.573 177.748 176.117 0.097 0.000 1.056 512 I CA 0.367 61.671 61.300 0.008 0.000 1.365 512 I CB 1.052 38.952 38.000 -0.167 0.000 1.407 512 I HN 0.535 nan 8.210 nan 0.000 0.509 513 T N 1.563 116.165 114.554 0.081 0.000 3.044 513 T HA 0.583 4.933 4.350 0.001 0.000 0.250 513 T C 0.816 175.562 174.700 0.077 0.000 1.081 513 T CA 0.178 62.330 62.100 0.087 0.000 1.040 513 T CB -0.037 68.874 68.868 0.072 0.000 0.962 513 T HN 0.965 nan 8.240 nan 0.000 0.506 514 G N 1.501 110.348 108.800 0.077 0.000 2.373 514 G HA2 0.063 4.024 3.960 0.001 0.000 0.634 514 G HA3 0.063 4.024 3.960 0.001 0.000 0.634 514 G C -1.456 173.490 174.900 0.077 0.000 1.267 514 G CA -1.313 43.839 45.100 0.086 0.000 1.008 514 G HN 0.386 nan 8.290 nan 0.000 0.497 515 R N 0.076 120.616 120.500 0.065 0.000 2.570 515 R HA 0.287 4.628 4.340 0.001 0.000 0.277 515 R C 1.624 177.959 176.300 0.058 0.000 1.039 515 R CA 0.512 56.641 56.100 0.049 0.000 1.065 515 R CB 0.707 31.023 30.300 0.028 0.000 0.964 515 R HN 1.355 nan 8.270 nan 0.000 0.428 516 V N -1.802 118.159 119.914 0.078 0.000 3.643 516 V HA 0.044 4.165 4.120 0.001 0.000 0.280 516 V C 0.578 176.735 176.094 0.104 0.000 1.351 516 V CA 0.014 62.382 62.300 0.112 0.000 1.073 516 V CB -0.276 31.660 31.823 0.188 0.000 0.863 516 V HN 0.617 nan 8.190 nan 0.000 0.436 517 D N 0.069 120.510 120.400 0.068 0.000 2.507 517 D HA 0.154 4.795 4.640 0.001 0.000 0.280 517 D C -0.140 176.176 176.300 0.026 0.000 1.219 517 D CA -0.667 53.360 54.000 0.045 0.000 1.085 517 D CB 0.055 40.859 40.800 0.007 0.000 1.134 517 D HN 0.089 nan 8.370 nan 0.000 0.583 518 D N -0.533 119.877 120.400 0.016 0.000 3.060 518 D HA 0.185 4.826 4.640 0.001 0.000 0.245 518 D C -0.506 175.804 176.300 0.018 0.000 1.274 518 D CA -0.088 53.923 54.000 0.018 0.000 0.864 518 D CB 0.071 40.882 40.800 0.017 0.000 1.073 518 D HN 0.044 nan 8.370 nan 0.000 0.473 519 V N 1.237 121.159 119.914 0.013 0.000 2.483 519 V HA 0.377 4.497 4.120 0.001 0.000 0.295 519 V C 0.430 176.532 176.094 0.013 0.000 1.035 519 V CA -0.786 61.521 62.300 0.012 0.000 0.896 519 V CB 2.168 33.992 31.823 0.002 0.000 0.986 519 V HN 0.044 nan 8.190 nan 0.000 0.447 520 L N 3.534 124.764 121.223 0.012 0.000 2.352 520 L HA 0.624 4.964 4.340 0.001 0.000 0.269 520 L C 0.112 176.973 176.870 -0.016 0.000 1.034 520 L CA -0.512 54.331 54.840 0.007 0.000 0.806 520 L CB 1.137 43.206 42.059 0.015 0.000 1.244 520 L HN 0.538 nan 8.230 nan 0.000 0.447 521 N N 1.270 119.955 118.700 -0.025 0.000 2.623 521 N HA 0.341 5.082 4.740 0.001 0.000 0.256 521 N C -1.733 173.735 175.510 -0.070 0.000 1.045 521 N CA -0.159 52.855 53.050 -0.061 0.000 0.863 521 N CB 1.617 40.072 38.487 -0.054 0.000 1.182 521 N HN 0.274 nan 8.380 nan 0.000 0.523 522 V N 2.207 122.070 119.914 -0.085 0.000 2.350 522 V HA 0.295 4.415 4.120 0.001 0.000 0.285 522 V C 0.697 176.694 176.094 -0.161 0.000 1.014 522 V CA -0.670 61.579 62.300 -0.086 0.000 0.831 522 V CB 1.130 32.929 31.823 -0.039 0.000 1.000 522 V HN 0.731 nan 8.190 nan 0.000 0.433 523 S N 3.849 119.434 115.700 -0.191 0.000 3.521 523 S HA -0.221 4.250 4.470 0.001 0.000 0.362 523 S C 1.455 175.741 174.600 -0.522 0.000 1.044 523 S CA 1.422 59.449 58.200 -0.288 0.000 1.091 523 S CB -1.283 61.771 63.200 -0.244 0.000 0.908 523 S HN 2.223 nan 8.310 nan 0.000 0.473 524 G N -0.423 108.136 108.800 -0.402 0.000 2.148 524 G HA2 -0.300 3.661 3.960 0.001 0.000 0.254 524 G HA3 -0.300 3.661 3.960 0.001 0.000 0.254 524 G C -0.328 174.222 174.900 -0.583 0.000 0.981 524 G CA 0.539 45.373 45.100 -0.444 0.000 0.670 524 G HN 0.853 nan 8.290 nan 0.000 0.528 525 H N -0.384 118.466 119.070 -0.367 0.000 2.488 525 H HA 0.530 5.087 4.556 0.001 0.000 0.322 525 H C 0.568 175.687 175.328 -0.348 0.000 1.078 525 H CA -0.759 54.981 56.048 -0.513 0.000 1.260 525 H CB 1.035 30.528 29.762 -0.449 0.000 1.425 525 H HN 0.271 nan 8.280 nan 0.000 0.471 526 R N 4.425 124.771 120.500 -0.256 0.000 2.234 526 R HA 0.340 4.680 4.340 0.001 0.000 0.324 526 R C -1.429 174.835 176.300 -0.059 0.000 1.054 526 R CA -0.270 55.746 56.100 -0.140 0.000 0.912 526 R CB 0.139 30.352 30.300 -0.145 0.000 1.030 526 R HN 0.591 nan 8.270 nan 0.000 0.455 527 L N 3.263 124.481 121.223 -0.008 0.000 2.422 527 L HA 0.494 4.835 4.340 0.001 0.000 0.264 527 L C 0.209 177.105 176.870 0.043 0.000 0.984 527 L CA -1.156 53.708 54.840 0.041 0.000 0.819 527 L CB 2.362 44.450 42.059 0.048 0.000 1.330 527 L HN 0.805 nan 8.230 nan 0.000 0.410 528 G N -0.594 108.242 108.800 0.061 0.000 2.356 528 G HA2 0.376 4.337 3.960 0.001 0.000 0.298 528 G HA3 0.376 4.337 3.960 0.001 0.000 0.298 528 G C 0.985 175.917 174.900 0.054 0.000 1.145 528 G CA 0.275 45.406 45.100 0.051 0.000 0.850 528 G HN 0.763 nan 8.290 nan 0.000 0.487 529 T N 0.094 114.676 114.554 0.046 0.000 2.788 529 T HA -0.131 4.219 4.350 0.001 0.000 0.268 529 T C 2.539 177.272 174.700 0.055 0.000 1.044 529 T CA 1.801 63.932 62.100 0.053 0.000 1.139 529 T CB -0.252 68.646 68.868 0.051 0.000 0.867 529 T HN 0.645 nan 8.240 nan 0.000 0.454 530 A N 2.853 125.702 122.820 0.048 0.000 1.902 530 A HA -0.147 4.173 4.320 0.001 0.000 0.217 530 A C 2.360 179.978 177.584 0.058 0.000 1.181 530 A CA 1.860 53.926 52.037 0.048 0.000 0.623 530 A CB -0.790 18.232 19.000 0.037 0.000 0.818 530 A HN 0.889 nan 8.150 nan 0.000 0.443 531 E N -0.085 120.152 120.200 0.062 0.000 2.150 531 E HA -0.146 4.205 4.350 0.001 0.000 0.193 531 E C 1.810 178.457 176.600 0.080 0.000 0.985 531 E CA 1.307 57.748 56.400 0.069 0.000 0.814 531 E CB -0.496 29.248 29.700 0.074 0.000 0.752 531 E HN 0.647 nan 8.360 nan 0.000 0.466 532 I N 1.463 122.081 120.570 0.080 0.000 2.315 532 I HA -0.202 3.968 4.170 0.001 0.000 0.248 532 I C 2.328 178.501 176.117 0.093 0.000 1.117 532 I CA 1.304 62.655 61.300 0.085 0.000 1.404 532 I CB -0.269 37.774 38.000 0.072 0.000 1.071 532 I HN 0.100 nan 8.210 nan 0.000 0.419 533 E N 0.580 120.829 120.200 0.083 0.000 2.077 533 E HA -0.180 4.170 4.350 0.001 0.000 0.193 533 E C 2.354 179.012 176.600 0.096 0.000 0.989 533 E CA 1.577 58.027 56.400 0.084 0.000 0.800 533 E CB -0.066 29.676 29.700 0.070 0.000 0.746 533 E HN 0.338 nan 8.360 nan 0.000 0.452 534 S N 0.646 116.401 115.700 0.093 0.000 2.353 534 S HA -0.237 4.233 4.470 0.001 0.000 0.222 534 S C 2.143 176.835 174.600 0.153 0.000 1.035 534 S CA 1.098 59.360 58.200 0.103 0.000 1.025 534 S CB -0.363 62.886 63.200 0.082 0.000 0.902 534 S HN 0.423 nan 8.310 nan 0.000 0.440 535 A N 1.407 124.323 122.820 0.161 0.000 1.884 535 A HA -0.149 4.171 4.320 0.001 0.000 0.219 535 A C 2.179 180.008 177.584 0.410 0.000 1.197 535 A CA 1.636 53.817 52.037 0.240 0.000 0.637 535 A CB -0.950 18.146 19.000 0.159 0.000 0.827 535 A HN 0.458 nan 8.150 nan 0.000 0.450 536 L N -0.777 120.605 121.223 0.266 0.000 1.994 536 L HA -0.163 4.178 4.340 0.001 0.000 0.208 536 L C 2.503 179.462 176.870 0.148 0.000 1.071 536 L CA 1.269 56.233 54.840 0.206 0.000 0.745 536 L CB -0.480 41.644 42.059 0.108 0.000 0.892 536 L HN 0.259 nan 8.230 nan 0.000 0.431 537 V N -0.044 119.950 119.914 0.133 0.000 2.720 537 V HA -0.234 3.886 4.120 0.001 0.000 0.256 537 V C 2.580 178.732 176.094 0.098 0.000 1.082 537 V CA 1.448 63.803 62.300 0.092 0.000 1.101 537 V CB -0.752 31.117 31.823 0.076 0.000 0.693 537 V HN 0.479 nan 8.190 nan 0.000 0.479 538 A N -1.497 121.443 122.820 0.199 0.000 2.067 538 A HA -0.159 4.161 4.320 0.001 0.000 0.219 538 A C 1.409 179.055 177.584 0.103 0.000 1.158 538 A CA 0.552 52.744 52.037 0.259 0.000 0.661 538 A CB -0.663 18.600 19.000 0.439 0.000 0.801 538 A HN 0.635 nan 8.150 nan 0.000 0.452 539 H N 0.479 119.326 119.070 -0.372 0.000 2.964 539 H HA 0.089 4.646 4.556 0.001 0.000 0.328 539 H C -1.817 173.197 175.328 -0.523 0.000 1.030 539 H CA -1.212 54.169 56.048 -1.111 0.000 1.445 539 H CB 1.077 30.115 29.762 -1.206 0.000 1.449 539 H HN 0.038 nan 8.280 nan 0.000 0.581 540 P HA -0.085 nan 4.420 nan 0.000 0.223 540 P C 0.470 177.654 177.300 -0.193 0.000 1.144 540 P CA 1.493 64.358 63.100 -0.391 0.000 0.783 540 P CB 0.241 31.695 31.700 -0.410 0.000 0.771 541 K N -1.467 118.905 120.400 -0.047 0.000 2.358 541 K HA 0.220 4.541 4.320 0.001 0.000 0.200 541 K C 0.484 177.121 176.600 0.061 0.000 1.030 541 K CA -0.065 56.253 56.287 0.051 0.000 1.097 541 K CB 0.483 33.047 32.500 0.107 0.000 0.862 541 K HN 0.193 nan 8.250 nan 0.000 0.534 542 I N 0.755 121.366 120.570 0.070 0.000 2.359 542 I HA 0.129 4.300 4.170 0.001 0.000 0.294 542 I C 0.865 176.994 176.117 0.021 0.000 0.987 542 I CA -0.312 61.016 61.300 0.047 0.000 1.225 542 I CB 1.800 39.822 38.000 0.037 0.000 1.366 542 I HN 0.017 nan 8.210 nan 0.000 0.466 543 A N 5.308 128.143 122.820 0.025 0.000 1.973 543 A HA 0.265 4.586 4.320 0.001 0.000 0.210 543 A C 0.507 178.105 177.584 0.023 0.000 1.200 543 A CA 0.662 52.700 52.037 0.001 0.000 0.707 543 A CB 0.265 19.248 19.000 -0.027 0.000 0.862 543 A HN 0.763 nan 8.150 nan 0.000 0.461 544 E N -2.137 118.094 120.200 0.051 0.000 2.390 544 E HA 0.636 4.986 4.350 0.001 0.000 0.280 544 E C -1.232 175.417 176.600 0.081 0.000 0.992 544 E CA -0.447 55.988 56.400 0.058 0.000 0.790 544 E CB 2.138 31.869 29.700 0.053 0.000 1.248 544 E HN 0.427 nan 8.360 nan 0.000 0.447 545 A N 0.935 123.801 122.820 0.077 0.000 2.572 545 A HA 0.897 5.217 4.320 0.001 0.000 0.295 545 A C -1.712 175.927 177.584 0.091 0.000 1.072 545 A CA -0.361 51.733 52.037 0.095 0.000 0.691 545 A CB 1.908 20.957 19.000 0.083 0.000 1.291 545 A HN 0.604 nan 8.150 nan 0.000 0.404 546 A N 0.702 123.601 122.820 0.130 0.000 2.398 546 A HA 0.711 5.031 4.320 0.001 0.000 0.301 546 A C -1.291 176.417 177.584 0.207 0.000 1.041 546 A CA -0.445 51.664 52.037 0.121 0.000 0.711 546 A CB 1.459 20.483 19.000 0.040 0.000 1.240 546 A HN 1.436 nan 8.150 nan 0.000 0.420 547 V N 2.945 122.949 119.914 0.150 0.000 2.495 547 V HA 0.683 4.803 4.120 0.001 0.000 0.298 547 V C -0.046 176.134 176.094 0.144 0.000 1.031 547 V CA -0.352 62.041 62.300 0.154 0.000 0.871 547 V CB 1.503 33.384 31.823 0.097 0.000 0.988 547 V HN 1.244 nan 8.190 nan 0.000 0.432 548 V N 1.960 121.979 119.914 0.176 0.000 3.040 548 V HA 1.016 5.136 4.120 0.001 0.000 0.312 548 V C 0.249 176.406 176.094 0.104 0.000 1.115 548 V CA -0.566 61.805 62.300 0.118 0.000 0.998 548 V CB 1.858 33.741 31.823 0.100 0.000 1.042 548 V HN 0.894 nan 8.190 nan 0.000 0.433 549 G N 2.011 110.850 108.800 0.065 0.000 2.395 549 G HA2 0.676 4.637 3.960 0.001 0.000 0.283 549 G HA3 0.676 4.637 3.960 0.001 0.000 0.283 549 G C -0.526 174.402 174.900 0.047 0.000 1.178 549 G CA -0.468 44.667 45.100 0.058 0.000 0.837 549 G HN 1.450 nan 8.290 nan 0.000 0.518 550 I N -0.492 120.119 120.570 0.069 0.000 2.740 550 I HA 0.623 4.793 4.170 0.001 0.000 0.303 550 I C -2.756 173.411 176.117 0.082 0.000 1.044 550 I CA -3.171 58.164 61.300 0.059 0.000 1.064 550 I CB 2.515 40.560 38.000 0.074 0.000 1.249 550 I HN 0.176 nan 8.210 nan 0.000 0.433 551 P HA 0.105 nan 4.420 nan 0.000 0.266 551 P C -1.420 175.955 177.300 0.124 0.000 1.195 551 P CA 0.573 63.717 63.100 0.074 0.000 0.768 551 P CB 0.108 31.831 31.700 0.038 0.000 0.838 552 H N 1.038 120.114 119.070 0.009 0.000 3.083 552 H HA 0.493 5.050 4.556 0.001 0.000 0.339 552 H C 0.626 175.951 175.328 -0.006 0.000 1.020 552 H CA -0.442 55.610 56.048 0.006 0.000 1.360 552 H CB 1.213 30.980 29.762 0.009 0.000 1.811 552 H HN 0.304 nan 8.280 nan 0.000 0.493 553 A N 4.502 127.222 122.820 -0.167 0.000 1.972 553 A HA -0.085 4.236 4.320 0.001 0.000 0.219 553 A C 1.650 179.234 177.584 -0.001 0.000 1.169 553 A CA 1.624 53.614 52.037 -0.080 0.000 0.635 553 A CB -0.421 18.505 19.000 -0.123 0.000 0.810 553 A HN 0.723 nan 8.150 nan 0.000 0.446 554 I N -0.472 120.161 120.570 0.105 0.000 2.364 554 I HA -0.120 4.050 4.170 0.001 0.000 0.241 554 I C 1.977 178.186 176.117 0.152 0.000 1.082 554 I CA 1.272 62.666 61.300 0.156 0.000 1.401 554 I CB -0.079 38.036 38.000 0.192 0.000 1.126 554 I HN 0.255 nan 8.210 nan 0.000 0.429 555 K N 1.066 121.616 120.400 0.249 0.000 2.404 555 K HA 0.323 4.644 4.320 0.001 0.000 0.194 555 K C 1.330 177.931 176.600 0.001 0.000 1.023 555 K CA 0.847 57.138 56.287 0.005 0.000 1.094 555 K CB 0.696 33.101 32.500 -0.159 0.000 0.841 555 K HN 0.436 nan 8.250 nan 0.000 0.523 556 G N 1.453 110.295 108.800 0.071 0.000 3.444 556 G HA2 -0.328 3.633 3.960 0.001 0.000 0.222 556 G HA3 -0.328 3.633 3.960 0.001 0.000 0.222 556 G C -0.050 174.888 174.900 0.064 0.000 1.358 556 G CA 0.177 45.304 45.100 0.044 0.000 0.880 556 G HN 0.433 nan 8.290 nan 0.000 0.555 557 Q N 0.374 120.193 119.800 0.032 0.000 2.397 557 Q HA 0.699 5.040 4.340 0.001 0.000 0.275 557 Q C -0.322 175.671 176.000 -0.012 0.000 1.090 557 Q CA -0.200 55.628 55.803 0.041 0.000 0.809 557 Q CB 2.351 31.102 28.738 0.022 0.000 1.362 557 Q HN 0.978 nan 8.270 nan 0.000 0.431 558 A N 2.108 124.939 122.820 0.019 0.000 2.311 558 A HA 0.703 5.023 4.320 0.001 0.000 0.334 558 A C -0.613 176.984 177.584 0.023 0.000 1.139 558 A CA -0.679 51.323 52.037 -0.058 0.000 0.830 558 A CB 0.702 19.697 19.000 -0.009 0.000 1.234 558 A HN 0.718 nan 8.150 nan 0.000 0.483 559 I N 1.484 122.054 120.570 0.000 0.000 2.325 559 I HA 0.175 4.345 4.170 0.001 0.000 0.291 559 I C -1.081 175.068 176.117 0.053 0.000 1.019 559 I CA -0.048 61.271 61.300 0.031 0.000 1.302 559 I CB 0.620 38.620 38.000 0.000 0.000 1.401 559 I HN 0.647 nan 8.210 nan 0.000 0.485 560 Y N 6.870 127.141 120.300 -0.049 0.000 2.345 560 Y HA 0.658 5.209 4.550 0.001 0.000 0.331 560 Y C -0.291 175.532 175.900 -0.128 0.000 0.959 560 Y CA -1.032 57.006 58.100 -0.103 0.000 1.204 560 Y CB 1.307 39.710 38.460 -0.095 0.000 1.135 560 Y HN 0.579 nan 8.280 nan 0.000 0.477 561 A N 6.335 129.054 122.820 -0.167 0.000 2.287 561 A HA 0.552 4.873 4.320 0.001 0.000 0.317 561 A C -1.863 175.625 177.584 -0.161 0.000 1.220 561 A CA -0.490 51.497 52.037 -0.083 0.000 0.835 561 A CB -0.022 18.901 19.000 -0.129 0.000 1.180 561 A HN 0.729 nan 8.150 nan 0.000 0.500 562 Y N 1.677 121.995 120.300 0.030 0.000 2.336 562 Y HA 0.448 4.998 4.550 0.001 0.000 0.335 562 Y C 0.200 176.111 175.900 0.019 0.000 1.046 562 Y CA -0.151 57.958 58.100 0.015 0.000 1.198 562 Y CB 1.408 39.853 38.460 -0.025 0.000 1.182 562 Y HN 0.362 nan 8.280 nan 0.000 0.502 563 V N 3.284 123.305 119.914 0.180 0.000 2.531 563 V HA 0.379 4.500 4.120 0.001 0.000 0.301 563 V C -0.334 175.932 176.094 0.288 0.000 1.034 563 V CA -0.867 61.541 62.300 0.179 0.000 0.865 563 V CB 2.041 33.926 31.823 0.103 0.000 0.995 563 V HN 0.760 nan 8.190 nan 0.000 0.424 564 T N 6.391 121.074 114.554 0.215 0.000 2.758 564 T HA 0.601 4.951 4.350 0.001 0.000 0.285 564 T C -0.086 174.707 174.700 0.155 0.000 0.981 564 T CA -0.265 61.952 62.100 0.195 0.000 0.965 564 T CB 0.725 69.680 68.868 0.144 0.000 0.927 564 T HN 0.341 nan 8.240 nan 0.000 0.448 565 L N 3.186 124.497 121.223 0.147 0.000 2.439 565 L HA 0.364 4.705 4.340 0.001 0.000 0.261 565 L C 0.989 177.892 176.870 0.055 0.000 1.153 565 L CA -1.108 53.779 54.840 0.077 0.000 0.808 565 L CB 0.409 42.473 42.059 0.009 0.000 1.126 565 L HN 0.535 nan 8.230 nan 0.000 0.460 566 N N 0.053 118.758 118.700 0.008 0.000 2.441 566 N HA 0.017 4.757 4.740 0.001 0.000 0.251 566 N C -0.314 175.222 175.510 0.043 0.000 1.242 566 N CA 0.042 53.065 53.050 -0.045 0.000 0.898 566 N CB 0.184 38.632 38.487 -0.064 0.000 1.100 566 N HN 0.470 nan 8.380 nan 0.000 0.443 567 H N -0.077 118.991 119.070 -0.003 0.000 3.034 567 H HA 0.144 4.700 4.556 0.001 0.000 0.324 567 H C 1.359 176.677 175.328 -0.016 0.000 1.015 567 H CA 0.385 56.429 56.048 -0.007 0.000 1.429 567 H CB 0.329 30.089 29.762 -0.003 0.000 1.429 567 H HN 0.871 nan 8.280 nan 0.000 0.585 568 G N 2.246 111.106 108.800 0.100 0.000 2.175 568 G HA2 -0.232 3.729 3.960 0.001 0.000 0.244 568 G HA3 -0.232 3.729 3.960 0.001 0.000 0.244 568 G C 0.012 174.914 174.900 0.002 0.000 0.982 568 G CA -0.303 44.818 45.100 0.035 0.000 0.641 568 G HN 0.556 nan 8.290 nan 0.000 0.527 569 E N 0.935 121.134 120.200 -0.002 0.000 2.204 569 E HA 0.615 4.966 4.350 0.001 0.000 0.276 569 E C -0.193 176.355 176.600 -0.087 0.000 0.974 569 E CA -0.389 55.984 56.400 -0.045 0.000 0.815 569 E CB 1.595 31.268 29.700 -0.045 0.000 1.119 569 E HN 0.408 nan 8.360 nan 0.000 0.393 570 E N 1.844 121.963 120.200 -0.136 0.000 2.256 570 E HA 0.459 4.810 4.350 0.001 0.000 0.267 570 E C -2.293 174.099 176.600 -0.346 0.000 0.892 570 E CA -2.068 54.215 56.400 -0.195 0.000 0.775 570 E CB 1.589 31.207 29.700 -0.135 0.000 1.207 570 E HN 0.178 nan 8.360 nan 0.000 0.420 571 P HA 0.232 nan 4.420 nan 0.000 0.274 571 P C -0.803 176.250 177.300 -0.412 0.000 1.237 571 P CA -0.300 62.274 63.100 -0.877 0.000 0.793 571 P CB 0.718 31.559 31.700 -1.432 0.000 0.977 572 S N -0.666 114.878 115.700 -0.259 0.000 2.587 572 S HA 0.450 4.921 4.470 0.001 0.000 0.269 572 S C -2.547 172.111 174.600 0.097 0.000 1.154 572 S CA -1.147 57.019 58.200 -0.056 0.000 0.824 572 S CB 1.121 64.290 63.200 -0.051 0.000 1.118 572 S HN 0.056 nan 8.310 nan 0.000 0.462 573 P HA -0.114 nan 4.420 nan 0.000 0.216 573 P C 1.421 178.820 177.300 0.166 0.000 1.150 573 P CA 1.583 64.752 63.100 0.115 0.000 0.843 573 P CB 0.080 31.801 31.700 0.036 0.000 0.787 574 E N -0.570 119.695 120.200 0.107 0.000 2.051 574 E HA -0.205 4.145 4.350 0.001 0.000 0.192 574 E C 1.873 178.553 176.600 0.134 0.000 0.991 574 E CA 0.925 57.387 56.400 0.103 0.000 0.799 574 E CB -0.592 29.145 29.700 0.061 0.000 0.748 574 E HN 0.015 nan 8.360 nan 0.000 0.449 575 L N 0.312 121.607 121.223 0.119 0.000 2.093 575 L HA -0.140 4.201 4.340 0.001 0.000 0.208 575 L C 2.167 179.195 176.870 0.264 0.000 1.085 575 L CA 1.709 56.615 54.840 0.111 0.000 0.755 575 L CB -0.850 41.186 42.059 -0.038 0.000 0.904 575 L HN 0.274 nan 8.230 nan 0.000 0.435 576 Y N 0.120 120.600 120.300 0.300 0.000 2.069 576 Y HA -0.375 4.176 4.550 0.001 0.000 0.278 576 Y C 2.411 178.393 175.900 0.137 0.000 1.175 576 Y CA 2.484 60.785 58.100 0.335 0.000 1.134 576 Y CB -0.424 38.203 38.460 0.279 0.000 0.965 576 Y HN 0.278 nan 8.280 nan 0.000 0.498 577 A N -0.515 122.486 122.820 0.303 0.000 1.968 577 A HA -0.169 4.152 4.320 0.001 0.000 0.217 577 A C 2.169 179.825 177.584 0.121 0.000 1.169 577 A CA 1.521 53.671 52.037 0.189 0.000 0.638 577 A CB -0.770 18.336 19.000 0.176 0.000 0.812 577 A HN 0.635 nan 8.150 nan 0.000 0.446 578 E N -0.174 120.102 120.200 0.128 0.000 2.077 578 E HA -0.144 4.207 4.350 0.001 0.000 0.193 578 E C 1.830 178.504 176.600 0.123 0.000 0.989 578 E CA 1.530 58.014 56.400 0.139 0.000 0.800 578 E CB -0.078 29.708 29.700 0.142 0.000 0.746 578 E HN 0.335 nan 8.360 nan 0.000 0.452 579 V N 1.135 121.042 119.914 -0.012 0.000 2.453 579 V HA -0.194 3.926 4.120 0.001 0.000 0.247 579 V C 2.411 178.515 176.094 0.016 0.000 1.048 579 V CA 1.554 63.794 62.300 -0.099 0.000 1.049 579 V CB -0.455 31.252 31.823 -0.193 0.000 0.672 579 V HN 0.244 nan 8.190 nan 0.000 0.457 580 R N 0.363 120.832 120.500 -0.052 0.000 2.073 580 R HA -0.131 4.209 4.340 0.001 0.000 0.234 580 R C 2.163 178.499 176.300 0.059 0.000 1.134 580 R CA 1.556 57.635 56.100 -0.035 0.000 0.952 580 R CB -0.623 29.633 30.300 -0.074 0.000 0.850 580 R HN 0.508 nan 8.270 nan 0.000 0.433 581 N N 0.368 119.126 118.700 0.098 0.000 2.223 581 N HA -0.214 4.527 4.740 0.001 0.000 0.185 581 N C 1.365 176.970 175.510 0.159 0.000 1.016 581 N CA 0.844 53.962 53.050 0.115 0.000 0.863 581 N CB -0.336 38.226 38.487 0.124 0.000 0.983 581 N HN 0.431 nan 8.380 nan 0.000 0.429 582 W N 1.779 123.107 121.300 0.046 0.000 2.381 582 W HA -0.109 4.552 4.660 0.001 0.000 0.301 582 W C 1.364 177.919 176.519 0.060 0.000 1.205 582 W CA 0.901 58.297 57.345 0.086 0.000 1.285 582 W CB -0.098 29.460 29.460 0.164 0.000 1.133 582 W HN -0.167 nan 8.180 nan 0.000 0.521 583 V N 1.768 121.790 119.914 0.181 0.000 2.358 583 V HA -0.242 3.878 4.120 0.001 0.000 0.246 583 V C 2.768 178.863 176.094 0.002 0.000 1.047 583 V CA 2.063 64.408 62.300 0.076 0.000 1.035 583 V CB -1.623 30.262 31.823 0.103 0.000 0.658 583 V HN 0.223 nan 8.190 nan 0.000 0.452 584 A N -0.325 122.504 122.820 0.015 0.000 1.978 584 A HA -0.260 4.060 4.320 0.001 0.000 0.220 584 A C 2.364 179.929 177.584 -0.032 0.000 1.170 584 A CA 2.094 54.135 52.037 0.006 0.000 0.636 584 A CB -0.433 18.577 19.000 0.016 0.000 0.810 584 A HN 0.395 nan 8.150 nan 0.000 0.448 585 K N -0.548 119.791 120.400 -0.102 0.000 2.076 585 K HA -0.076 4.244 4.320 0.001 0.000 0.204 585 K C 1.731 178.193 176.600 -0.230 0.000 1.051 585 K CA 1.141 57.323 56.287 -0.176 0.000 0.949 585 K CB -0.149 32.188 32.500 -0.271 0.000 0.726 585 K HN 0.404 nan 8.250 nan 0.000 0.443 586 E N 0.400 120.413 120.200 -0.312 0.000 2.072 586 E HA -0.071 4.279 4.350 0.001 0.000 0.191 586 E C 2.087 178.635 176.600 -0.086 0.000 0.985 586 E CA 1.077 57.318 56.400 -0.265 0.000 0.801 586 E CB 0.149 29.683 29.700 -0.278 0.000 0.750 586 E HN 0.382 nan 8.360 nan 0.000 0.452 587 I N -1.744 118.826 120.570 0.001 0.000 3.534 587 I HA 0.268 4.439 4.170 0.001 0.000 0.251 587 I C 0.956 177.218 176.117 0.242 0.000 1.136 587 I CA 0.439 61.821 61.300 0.137 0.000 1.475 587 I CB 0.940 39.039 38.000 0.164 0.000 1.526 587 I HN 0.041 nan 8.210 nan 0.000 0.454 588 G N 0.131 109.015 108.800 0.141 0.000 2.358 588 G HA2 0.138 4.098 3.960 0.001 0.000 0.303 588 G HA3 0.138 4.098 3.960 0.001 0.000 0.303 588 G C -2.753 172.178 174.900 0.051 0.000 1.537 588 G CA -0.648 44.512 45.100 0.101 0.000 0.928 588 G HN -0.240 nan 8.290 nan 0.000 0.656 589 P HA -0.091 nan 4.420 nan 0.000 0.216 589 P C 2.401 179.721 177.300 0.034 0.000 1.150 589 P CA 1.585 64.699 63.100 0.023 0.000 0.843 589 P CB 0.018 31.725 31.700 0.012 0.000 0.787 590 L N -3.024 118.220 121.223 0.036 0.000 2.189 590 L HA -0.095 4.245 4.340 0.001 0.000 0.214 590 L C 1.859 178.756 176.870 0.045 0.000 1.097 590 L CA 2.192 57.058 54.840 0.042 0.000 0.764 590 L CB -1.196 40.821 42.059 -0.070 0.000 0.900 590 L HN -0.124 nan 8.230 nan 0.000 0.436 591 A N -0.593 122.257 122.820 0.050 0.000 2.348 591 A HA 0.239 4.559 4.320 0.001 0.000 0.224 591 A C 0.885 178.490 177.584 0.035 0.000 1.227 591 A CA -0.019 52.051 52.037 0.056 0.000 0.885 591 A CB -0.428 18.628 19.000 0.093 0.000 0.933 591 A HN 0.419 nan 8.150 nan 0.000 0.506 592 T N 3.777 118.345 114.554 0.023 0.000 2.871 592 T HA 0.282 4.632 4.350 0.001 0.000 0.296 592 T C -2.543 172.142 174.700 -0.025 0.000 0.998 592 T CA -0.235 61.866 62.100 0.003 0.000 1.162 592 T CB 0.374 69.244 68.868 0.003 0.000 0.947 592 T HN 0.173 nan 8.240 nan 0.000 0.536 593 P HA 0.144 nan 4.420 nan 0.000 0.268 593 P C 0.483 177.719 177.300 -0.107 0.000 1.204 593 P CA -0.235 62.810 63.100 -0.093 0.000 0.768 593 P CB 0.580 32.187 31.700 -0.155 0.000 0.842 594 D N 0.673 121.017 120.400 -0.092 0.000 2.249 594 D HA 0.024 4.665 4.640 0.001 0.000 0.205 594 D C 0.200 176.453 176.300 -0.079 0.000 0.962 594 D CA 1.169 55.130 54.000 -0.065 0.000 0.860 594 D CB 0.492 41.260 40.800 -0.055 0.000 0.955 594 D HN 0.121 nan 8.370 nan 0.000 0.505 595 V N 1.565 121.358 119.914 -0.201 0.000 2.760 595 V HA 0.332 4.453 4.120 0.001 0.000 0.309 595 V C -0.489 175.288 176.094 -0.528 0.000 1.077 595 V CA -0.733 61.364 62.300 -0.338 0.000 0.910 595 V CB 2.755 34.217 31.823 -0.601 0.000 1.008 595 V HN -0.081 nan 8.190 nan 0.000 0.424 596 L N 3.731 124.624 121.223 -0.548 0.000 2.313 596 L HA 0.574 4.914 4.340 0.001 0.000 0.283 596 L C -0.553 175.880 176.870 -0.729 0.000 1.013 596 L CA -0.554 53.809 54.840 -0.795 0.000 0.816 596 L CB 1.531 42.825 42.059 -1.276 0.000 1.236 596 L HN 0.764 nan 8.230 nan 0.000 0.419 597 H N 2.806 121.422 119.070 -0.756 0.000 2.691 597 H HA 0.281 4.838 4.556 0.001 0.000 0.281 597 H C -1.241 173.946 175.328 -0.236 0.000 1.121 597 H CA -0.758 54.998 56.048 -0.487 0.000 1.254 597 H CB 0.543 30.004 29.762 -0.501 0.000 1.390 597 H HN 0.479 nan 8.280 nan 0.000 0.491 598 W N 4.334 125.714 121.300 0.133 0.000 2.308 598 W HA 0.292 4.953 4.660 0.001 0.000 0.324 598 W C 0.441 177.111 176.519 0.251 0.000 1.387 598 W CA -0.273 57.163 57.345 0.152 0.000 1.250 598 W CB 0.974 30.480 29.460 0.077 0.000 1.257 598 W HN 0.413 nan 8.180 nan 0.000 0.554 599 T N 1.867 116.715 114.554 0.491 0.000 2.853 599 T HA 0.144 4.494 4.350 0.001 0.000 0.311 599 T C -0.555 174.301 174.700 0.259 0.000 1.307 599 T CA -0.672 61.657 62.100 0.382 0.000 1.019 599 T CB 1.383 70.514 68.868 0.439 0.000 1.264 599 T HN 0.385 nan 8.240 nan 0.000 0.497 600 D N 1.674 122.189 120.400 0.192 0.000 2.501 600 D HA 0.287 4.928 4.640 0.001 0.000 0.226 600 D C 0.124 176.489 176.300 0.109 0.000 1.198 600 D CA 0.035 54.119 54.000 0.140 0.000 0.830 600 D CB 0.774 41.639 40.800 0.109 0.000 1.014 600 D HN 0.311 nan 8.370 nan 0.000 0.496 601 S N 0.368 116.137 115.700 0.115 0.000 2.751 601 S HA 0.247 4.718 4.470 0.001 0.000 0.247 601 S C 0.549 175.162 174.600 0.022 0.000 1.103 601 S CA -0.426 57.818 58.200 0.073 0.000 1.090 601 S CB 0.653 63.908 63.200 0.091 0.000 0.928 601 S HN 0.173 nan 8.310 nan 0.000 0.502 602 L N 3.912 125.141 121.223 0.011 0.000 2.499 602 L HA 0.179 4.519 4.340 0.001 0.000 0.273 602 L C -2.033 174.801 176.870 -0.059 0.000 1.195 602 L CA -1.235 53.571 54.840 -0.057 0.000 0.882 602 L CB 0.075 42.117 42.059 -0.029 0.000 1.133 602 L HN 0.073 nan 8.230 nan 0.000 0.483 603 P HA 0.199 nan 4.420 nan 0.000 0.281 603 P C -1.152 176.112 177.300 -0.059 0.000 1.286 603 P CA -0.216 62.838 63.100 -0.075 0.000 0.772 603 P CB 0.732 32.371 31.700 -0.102 0.000 0.862 604 K N 1.510 121.889 120.400 -0.035 0.000 2.375 604 K HA 0.407 4.728 4.320 0.001 0.000 0.249 604 K C 0.610 177.199 176.600 -0.019 0.000 0.942 604 K CA -0.662 55.610 56.287 -0.025 0.000 0.806 604 K CB 2.047 34.539 32.500 -0.014 0.000 1.227 604 K HN 0.400 nan 8.250 nan 0.000 0.430 605 T N -1.099 113.444 114.554 -0.017 0.000 2.701 605 T HA 0.109 4.460 4.350 0.001 0.000 0.303 605 T C 1.147 175.842 174.700 -0.008 0.000 1.030 605 T CA -0.216 61.876 62.100 -0.013 0.000 1.010 605 T CB 0.637 69.497 68.868 -0.013 0.000 1.007 605 T HN 0.556 nan 8.240 nan 0.000 0.532 606 R N 0.492 120.988 120.500 -0.006 0.000 2.235 606 R HA 0.060 4.400 4.340 0.001 0.000 0.213 606 R C 2.700 178.999 176.300 -0.002 0.000 1.059 606 R CA 0.961 57.059 56.100 -0.003 0.000 0.997 606 R CB -0.610 29.688 30.300 -0.003 0.000 0.884 606 R HN 0.866 nan 8.270 nan 0.000 0.462 607 S N 0.065 115.763 115.700 -0.003 0.000 2.593 607 S HA 0.207 4.678 4.470 0.001 0.000 0.217 607 S C 1.279 175.878 174.600 -0.002 0.000 0.966 607 S CA 0.481 58.679 58.200 -0.002 0.000 0.914 607 S CB 0.241 63.439 63.200 -0.004 0.000 0.776 607 S HN 0.352 nan 8.310 nan 0.000 0.523 608 G N -0.793 108.006 108.800 -0.002 0.000 2.141 608 G HA2 0.126 4.087 3.960 0.001 0.000 0.242 608 G HA3 0.126 4.087 3.960 0.001 0.000 0.242 608 G C 0.235 175.133 174.900 -0.004 0.000 0.982 608 G CA 0.640 45.739 45.100 -0.001 0.000 0.662 608 G HN 1.297 nan 8.290 nan 0.000 0.527 609 K N 0.762 121.157 120.400 -0.008 0.000 2.249 609 K HA 0.711 5.032 4.320 0.001 0.000 0.280 609 K C 0.635 177.224 176.600 -0.018 0.000 1.033 609 K CA -0.156 56.124 56.287 -0.011 0.000 0.946 609 K CB 1.056 33.549 32.500 -0.012 0.000 1.005 609 K HN 1.145 nan 8.250 nan 0.000 0.469 610 I N 3.067 123.625 120.570 -0.021 0.000 2.474 610 I HA 0.276 4.446 4.170 0.001 0.000 0.287 610 I C -0.071 176.019 176.117 -0.045 0.000 1.048 610 I CA -0.799 60.479 61.300 -0.037 0.000 1.383 610 I CB 0.750 38.726 38.000 -0.040 0.000 1.412 610 I HN 0.797 nan 8.210 nan 0.000 0.531 611 M N 8.176 127.738 119.600 -0.062 0.000 2.151 611 M HA 0.332 4.813 4.480 0.001 0.000 0.349 611 M C 0.855 177.106 176.300 -0.082 0.000 1.284 611 M CA -0.240 55.023 55.300 -0.061 0.000 1.173 611 M CB 0.470 33.037 32.600 -0.056 0.000 1.469 611 M HN 0.546 nan 8.290 nan 0.000 0.439 612 R N 1.161 121.624 120.500 -0.061 0.000 2.153 612 R HA -0.046 4.295 4.340 0.001 0.000 0.218 612 R C 2.783 179.049 176.300 -0.057 0.000 1.072 612 R CA 1.253 57.316 56.100 -0.062 0.000 0.990 612 R CB -0.217 30.067 30.300 -0.028 0.000 0.889 612 R HN 0.797 nan 8.270 nan 0.000 0.452 613 R N 1.165 121.638 120.500 -0.044 0.000 2.083 613 R HA -0.136 4.205 4.340 0.001 0.000 0.237 613 R C 1.978 178.250 176.300 -0.047 0.000 1.137 613 R CA 1.873 57.952 56.100 -0.034 0.000 0.951 613 R CB -1.381 28.904 30.300 -0.024 0.000 0.851 613 R HN 0.187 nan 8.270 nan 0.000 0.434 614 I N 0.634 121.166 120.570 -0.063 0.000 2.252 614 I HA -0.104 4.066 4.170 0.001 0.000 0.245 614 I C 2.296 178.352 176.117 -0.102 0.000 1.102 614 I CA 1.045 62.302 61.300 -0.072 0.000 1.385 614 I CB -0.166 37.790 38.000 -0.073 0.000 1.064 614 I HN 0.372 nan 8.210 nan 0.000 0.414 615 L N -0.247 120.878 121.223 -0.162 0.000 2.046 615 L HA -0.215 4.126 4.340 0.001 0.000 0.208 615 L C 2.742 179.577 176.870 -0.058 0.000 1.077 615 L CA 1.350 56.050 54.840 -0.233 0.000 0.747 615 L CB -0.739 41.074 42.059 -0.411 0.000 0.896 615 L HN 0.171 nan 8.230 nan 0.000 0.432 616 R N 0.350 120.822 120.500 -0.048 0.000 2.094 616 R HA -0.213 4.128 4.340 0.001 0.000 0.239 616 R C 2.389 178.657 176.300 -0.053 0.000 1.137 616 R CA 1.797 57.876 56.100 -0.036 0.000 0.943 616 R CB -0.215 30.073 30.300 -0.020 0.000 0.850 616 R HN 0.342 nan 8.270 nan 0.000 0.433 617 K N 0.126 120.500 120.400 -0.044 0.000 2.026 617 K HA -0.098 4.223 4.320 0.001 0.000 0.208 617 K C 2.116 178.693 176.600 -0.038 0.000 1.048 617 K CA 1.311 57.577 56.287 -0.035 0.000 0.929 617 K CB -0.122 32.362 32.500 -0.026 0.000 0.713 617 K HN 0.154 nan 8.250 nan 0.000 0.439 618 I N 0.918 121.468 120.570 -0.034 0.000 2.202 618 I HA -0.249 3.922 4.170 0.001 0.000 0.242 618 I C 2.394 178.478 176.117 -0.054 0.000 1.091 618 I CA 1.064 62.361 61.300 -0.007 0.000 1.368 618 I CB -0.325 37.698 38.000 0.039 0.000 1.058 618 I HN 0.142 nan 8.210 nan 0.000 0.410 619 A N 0.545 123.257 122.820 -0.180 0.000 2.070 619 A HA -0.082 4.238 4.320 0.001 0.000 0.220 619 A C 2.427 179.839 177.584 -0.286 0.000 1.159 619 A CA 1.649 53.355 52.037 -0.553 0.000 0.656 619 A CB -0.601 17.727 19.000 -1.121 0.000 0.800 619 A HN 0.454 nan 8.150 nan 0.000 0.453 620 A N -2.030 120.708 122.820 -0.137 0.000 1.970 620 A HA 0.391 4.712 4.320 0.001 0.000 0.216 620 A C 1.855 179.425 177.584 -0.024 0.000 1.170 620 A CA 1.679 53.680 52.037 -0.060 0.000 0.645 620 A CB -0.424 18.553 19.000 -0.038 0.000 0.816 620 A HN 1.667 nan 8.150 nan 0.000 0.447 621 G N -0.472 108.317 108.800 -0.018 0.000 2.370 621 G HA2 -0.105 3.855 3.960 0.001 0.000 0.174 621 G HA3 -0.105 3.855 3.960 0.001 0.000 0.174 621 G C -0.205 174.700 174.900 0.009 0.000 1.002 621 G CA 0.248 45.352 45.100 0.006 0.000 0.730 621 G HN 0.759 nan 8.290 nan 0.000 0.497 632 L N 2.944 124.160 121.223 -0.012 0.000 2.477 632 L HA 0.475 4.815 4.340 0.001 0.000 0.272 632 L C 2.090 178.955 176.870 -0.008 0.000 1.157 632 L CA -0.027 54.805 54.840 -0.013 0.000 0.889 632 L CB 1.236 43.286 42.059 -0.015 0.000 1.158 632 L HN 0.507 nan 8.230 nan 0.000 0.473 633 A N 3.221 126.037 122.820 -0.008 0.000 1.908 633 A HA -0.170 4.151 4.320 0.001 0.000 0.218 633 A C 0.827 178.410 177.584 -0.001 0.000 1.181 633 A CA 1.611 53.647 52.037 -0.003 0.000 0.627 633 A CB -0.153 18.846 19.000 -0.002 0.000 0.818 633 A HN 0.753 nan 8.150 nan 0.000 0.445 634 D N -2.380 118.019 120.400 -0.001 0.000 2.358 634 D HA 0.391 5.032 4.640 0.001 0.000 0.253 634 D C -2.476 173.824 176.300 0.000 0.000 1.288 634 D CA -1.966 52.035 54.000 0.002 0.000 0.950 634 D CB 1.380 42.184 40.800 0.006 0.000 1.197 634 D HN -0.045 nan 8.370 nan 0.000 0.550 635 P HA 0.125 nan 4.420 nan 0.000 0.233 635 P C 1.336 178.638 177.300 0.004 0.000 1.167 635 P CA 0.352 63.451 63.100 -0.001 0.000 0.770 635 P CB 0.377 32.077 31.700 -0.000 0.000 0.837 636 G N 0.455 109.260 108.800 0.008 0.000 2.679 636 G HA2 -0.124 3.836 3.960 0.001 0.000 0.212 636 G HA3 -0.124 3.836 3.960 0.001 0.000 0.212 636 G C 1.441 176.353 174.900 0.020 0.000 1.137 636 G CA 0.598 45.707 45.100 0.014 0.000 0.787 636 G HN 0.325 nan 8.290 nan 0.000 0.534 637 V N -1.109 118.815 119.914 0.015 0.000 2.515 637 V HA -0.145 3.976 4.120 0.001 0.000 0.250 637 V C 2.602 178.710 176.094 0.024 0.000 1.058 637 V CA 1.525 63.837 62.300 0.020 0.000 1.064 637 V CB -0.795 31.030 31.823 0.003 0.000 0.675 637 V HN 0.126 nan 8.190 nan 0.000 0.461 638 V N 0.598 120.520 119.914 0.012 0.000 2.332 638 V HA -0.283 3.838 4.120 0.001 0.000 0.248 638 V C 2.743 178.859 176.094 0.037 0.000 1.055 638 V CA 2.578 64.887 62.300 0.014 0.000 1.038 638 V CB -0.854 30.971 31.823 0.004 0.000 0.651 638 V HN 0.692 nan 8.190 nan 0.000 0.450 639 E N 0.222 120.443 120.200 0.037 0.000 2.051 639 E HA -0.233 4.117 4.350 0.001 0.000 0.192 639 E C 2.343 178.982 176.600 0.065 0.000 0.991 639 E CA 1.282 57.708 56.400 0.044 0.000 0.799 639 E CB -0.011 29.710 29.700 0.035 0.000 0.748 639 E HN 0.563 nan 8.360 nan 0.000 0.449 640 K N 0.356 120.798 120.400 0.071 0.000 2.009 640 K HA -0.165 4.156 4.320 0.001 0.000 0.210 640 K C 2.388 179.079 176.600 0.153 0.000 1.049 640 K CA 1.175 57.522 56.287 0.099 0.000 0.929 640 K CB -0.348 32.209 32.500 0.096 0.000 0.714 640 K HN 0.228 nan 8.250 nan 0.000 0.440 641 L N 1.104 122.420 121.223 0.154 0.000 2.043 641 L HA -0.238 4.102 4.340 0.001 0.000 0.212 641 L C 2.516 179.535 176.870 0.249 0.000 1.075 641 L CA 1.230 56.206 54.840 0.226 0.000 0.752 641 L CB -0.572 41.550 42.059 0.106 0.000 0.891 641 L HN 0.185 nan 8.230 nan 0.000 0.432 642 L N -0.678 120.636 121.223 0.151 0.000 2.017 642 L HA -0.215 4.125 4.340 0.001 0.000 0.208 642 L C 2.588 179.532 176.870 0.123 0.000 1.073 642 L CA 1.353 56.268 54.840 0.126 0.000 0.745 642 L CB -0.509 41.596 42.059 0.077 0.000 0.894 642 L HN 0.283 nan 8.230 nan 0.000 0.432 643 E N 0.058 120.322 120.200 0.107 0.000 2.051 643 E HA -0.249 4.102 4.350 0.001 0.000 0.192 643 E C 2.094 178.745 176.600 0.085 0.000 0.991 643 E CA 1.448 57.898 56.400 0.084 0.000 0.799 643 E CB -0.078 29.664 29.700 0.070 0.000 0.748 643 E HN 0.527 nan 8.360 nan 0.000 0.449 644 E N 0.771 121.041 120.200 0.117 0.000 2.077 644 E HA -0.236 4.114 4.350 0.001 0.000 0.193 644 E C 2.029 178.620 176.600 -0.016 0.000 0.989 644 E CA 1.243 57.666 56.400 0.040 0.000 0.800 644 E CB -0.036 29.716 29.700 0.088 0.000 0.746 644 E HN -0.043 nan 8.360 nan 0.000 0.452 645 K N 1.196 121.710 120.400 0.190 0.000 2.057 645 K HA -0.222 4.099 4.320 0.001 0.000 0.207 645 K C 2.342 179.012 176.600 0.117 0.000 1.049 645 K CA 2.299 58.727 56.287 0.235 0.000 0.931 645 K CB -0.654 32.042 32.500 0.327 0.000 0.714 645 K HN 0.136 nan 8.250 nan 0.000 0.440 646 Q N -0.036 119.818 119.800 0.090 0.000 2.224 646 Q HA 0.090 4.430 4.340 0.001 0.000 0.203 646 Q C 2.227 178.247 176.000 0.034 0.000 0.970 646 Q CA 1.824 57.662 55.803 0.058 0.000 0.865 646 Q CB -0.846 27.922 28.738 0.051 0.000 0.922 646 Q HN 0.585 nan 8.270 nan 0.000 0.445 647 A N -0.126 122.707 122.820 0.020 0.000 1.970 647 A HA 0.443 4.764 4.320 0.001 0.000 0.216 647 A C 1.635 179.207 177.584 -0.020 0.000 1.170 647 A CA 1.111 53.148 52.037 -0.000 0.000 0.645 647 A CB -0.714 18.284 19.000 -0.003 0.000 0.816 647 A HN 1.166 nan 8.150 nan 0.000 0.447 648 I N 0.000 120.548 120.570 -0.037 0.000 2.984 648 I HA 0.000 4.170 4.170 0.001 0.000 0.288 648 I CA 0.000 61.264 61.300 -0.061 0.000 1.566 648 I CB 0.000 37.913 38.000 -0.145 0.000 1.214 648 I HN 0.000 nan 8.210 nan 0.000 0.494