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 3dkj_1_B DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXXYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKDVYK EHFQDDVFNE KGWNYILEKY DATA SEQUENCE DGHLPIEIKA VPEGFVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGLALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTQAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLEIL GKKFPVTENS KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGM KQKMWSIENI AFGSGGGLLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGINVFKDPV ADPNKRSKKG RLSLHRTPAG NFVTLEEGKG DLEEYGQDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEIRK NAQLNI 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.807 175.800 0.011 0.000 0.967 9 F CA 0.000 58.025 58.000 0.042 0.000 1.383 9 F CB 0.000 39.086 39.000 0.144 0.000 1.145 10 N N 6.727 125.004 118.700 -0.706 0.000 2.531 10 N HA 0.282 5.020 4.740 -0.005 0.000 0.268 10 N C 0.407 175.449 175.510 -0.780 0.000 1.023 10 N CA -0.467 52.258 53.050 -0.542 0.000 0.896 10 N CB 1.360 39.634 38.487 -0.355 0.000 1.233 10 N HN 0.919 nan 8.380 nan 0.000 0.512 11 I N 2.726 123.034 120.570 -0.437 0.000 2.700 11 I HA -0.200 3.967 4.170 -0.005 0.000 0.261 11 I C 0.714 176.858 176.117 0.044 0.000 1.219 11 I CA 0.866 62.102 61.300 -0.106 0.000 1.463 11 I CB 0.342 38.489 38.000 0.245 0.000 1.092 11 I HN 0.479 nan 8.210 nan 0.000 0.452 12 L N 0.032 121.135 121.223 -0.200 0.000 2.376 12 L HA -0.056 4.281 4.340 -0.005 0.000 0.219 12 L C 1.621 178.678 176.870 0.311 0.000 1.133 12 L CA 1.335 56.141 54.840 -0.057 0.000 0.816 12 L CB -0.374 41.391 42.059 -0.490 0.000 0.933 12 L HN 0.216 nan 8.230 nan 0.000 0.449 13 L N -1.094 120.118 121.223 -0.018 0.000 2.910 13 L HA 0.347 4.684 4.340 -0.005 0.000 0.252 13 L C 0.941 177.745 176.870 -0.110 0.000 1.195 13 L CA -0.126 54.667 54.840 -0.078 0.000 1.003 13 L CB 0.073 41.955 42.059 -0.294 0.000 1.328 13 L HN 0.090 nan 8.230 nan 0.000 0.540 14 A N -0.357 122.427 122.820 -0.060 0.000 2.911 14 A HA 0.490 4.807 4.320 -0.005 0.000 0.304 14 A C 0.196 177.785 177.584 0.009 0.000 1.144 14 A CA -0.048 51.952 52.037 -0.063 0.000 0.988 14 A CB 0.180 19.120 19.000 -0.099 0.000 1.141 14 A HN 0.137 nan 8.150 nan 0.000 0.552 15 T N -0.790 113.723 114.554 -0.068 0.000 2.887 15 T HA 0.357 4.704 4.350 -0.005 0.000 0.292 15 T C -1.292 173.335 174.700 -0.123 0.000 1.087 15 T CA -0.597 61.374 62.100 -0.216 0.000 1.009 15 T CB 1.051 69.464 68.868 -0.758 0.000 1.203 15 T HN 0.301 nan 8.240 nan 0.000 0.518 16 D N 2.072 122.431 120.400 -0.068 0.000 2.455 16 D HA 0.116 4.753 4.640 -0.005 0.000 0.241 16 D C 1.233 177.576 176.300 0.071 0.000 1.138 16 D CA 0.220 54.257 54.000 0.061 0.000 0.877 16 D CB 1.388 42.336 40.800 0.247 0.000 1.187 16 D HN 0.524 nan 8.370 nan 0.000 0.451 17 S N 2.070 117.853 115.700 0.138 0.000 2.381 17 S HA -0.289 4.178 4.470 -0.005 0.000 0.230 17 S C 1.893 176.685 174.600 0.319 0.000 1.052 17 S CA 1.607 59.956 58.200 0.249 0.000 1.068 17 S CB -0.654 62.701 63.200 0.258 0.000 0.918 17 S HN 0.744 nan 8.310 nan 0.000 0.448 18 Y N 1.326 121.635 120.300 0.015 0.000 2.315 18 Y HA -0.040 4.509 4.550 -0.001 0.000 0.288 18 Y C 1.892 177.471 175.900 -0.535 0.000 1.154 18 Y CA 0.961 59.019 58.100 -0.070 0.000 1.229 18 Y CB -0.439 38.038 38.460 0.028 0.000 0.980 18 Y HN 0.107 nan 8.280 nan 0.000 0.540 19 K N 0.775 120.771 120.400 -0.674 0.000 2.283 19 K HA -0.050 4.267 4.320 -0.005 0.000 0.202 19 K C 1.820 178.101 176.600 -0.531 0.000 1.048 19 K CA 1.082 56.747 56.287 -1.037 0.000 0.948 19 K CB -0.056 32.077 32.500 -0.611 0.000 0.742 19 K HN 0.253 nan 8.250 nan 0.000 0.458 20 V N 1.305 120.984 119.914 -0.391 0.000 2.594 20 V HA -0.201 3.917 4.120 -0.005 0.000 0.253 20 V C 2.220 178.307 176.094 -0.012 0.000 1.069 20 V CA 2.197 64.419 62.300 -0.129 0.000 1.082 20 V CB -0.752 30.886 31.823 -0.307 0.000 0.680 20 V HN 0.525 nan 8.190 nan 0.000 0.469 21 T N -4.116 110.332 114.554 -0.178 0.000 3.086 21 T HA 0.046 4.393 4.350 -0.005 0.000 0.250 21 T C 1.373 176.054 174.700 -0.030 0.000 1.074 21 T CA 0.297 62.311 62.100 -0.143 0.000 0.988 21 T CB -0.478 68.267 68.868 -0.205 0.000 0.988 21 T HN 0.606 nan 8.240 nan 0.000 0.530 22 H N 0.125 119.199 119.070 0.006 0.000 2.470 22 H HA 0.036 4.589 4.556 -0.005 0.000 0.289 22 H C 1.928 177.322 175.328 0.109 0.000 1.033 22 H CA 1.305 57.326 56.048 -0.045 0.000 1.331 22 H CB -0.167 29.574 29.762 -0.034 0.000 1.414 22 H HN 0.703 nan 8.280 nan 0.000 0.545 23 Y N 1.155 121.608 120.300 0.254 0.000 2.315 23 Y HA -0.112 4.435 4.550 -0.005 0.000 0.288 23 Y C 1.510 177.579 175.900 0.281 0.000 1.154 23 Y CA 0.712 58.987 58.100 0.292 0.000 1.229 23 Y CB -0.216 38.175 38.460 -0.115 0.000 0.980 23 Y HN -0.108 nan 8.280 nan 0.000 0.540 24 K N 0.172 120.280 120.400 -0.488 0.000 2.444 24 K HA 0.061 4.378 4.320 -0.005 0.000 0.193 24 K C 1.247 177.745 176.600 -0.171 0.000 1.024 24 K CA 0.431 56.465 56.287 -0.422 0.000 1.077 24 K CB 0.123 32.254 32.500 -0.617 0.000 0.833 24 K HN 0.563 nan 8.250 nan 0.000 0.517 25 Q N -1.110 118.625 119.800 -0.109 0.000 2.353 25 Q HA 0.112 4.450 4.340 -0.005 0.000 0.240 25 Q C -0.280 175.627 176.000 -0.155 0.000 0.868 25 Q CA -0.116 55.586 55.803 -0.169 0.000 0.944 25 Q CB 0.469 29.046 28.738 -0.268 0.000 1.104 25 Q HN 0.212 nan 8.270 nan 0.000 0.531 26 Y N 2.177 122.512 120.300 0.057 0.000 2.426 26 Y HA 0.058 4.606 4.550 -0.004 0.000 0.344 26 Y C -1.752 174.132 175.900 -0.027 0.000 1.256 26 Y CA -1.842 56.287 58.100 0.050 0.000 1.451 26 Y CB -0.062 38.505 38.460 0.178 0.000 1.342 26 Y HN 0.041 nan 8.280 nan 0.000 0.600 27 P HA 0.054 nan 4.420 nan 0.000 0.269 27 P C -2.556 174.720 177.300 -0.039 0.000 1.209 27 P CA -0.958 62.153 63.100 0.018 0.000 0.776 27 P CB 0.005 31.705 31.700 0.000 0.000 0.876 28 P HA 0.013 nan 4.420 nan 0.000 0.268 28 P C -0.302 176.929 177.300 -0.114 0.000 1.208 28 P CA 0.250 63.302 63.100 -0.080 0.000 0.777 28 P CB -0.080 31.590 31.700 -0.051 0.000 0.875 29 N N -2.163 116.449 118.700 -0.147 0.000 2.747 29 N HA -0.142 4.595 4.740 -0.005 0.000 0.249 29 N C -0.841 174.559 175.510 -0.182 0.000 1.107 29 N CA 0.546 53.510 53.050 -0.143 0.000 0.707 29 N CB -1.980 36.455 38.487 -0.087 0.000 1.054 29 N HN 0.359 nan 8.380 nan 0.000 0.555 30 T N -0.218 114.155 114.554 -0.303 0.000 2.749 30 T HA 0.320 4.667 4.350 -0.005 0.000 0.295 30 T C 1.332 175.840 174.700 -0.320 0.000 0.936 30 T CA 0.011 61.923 62.100 -0.312 0.000 1.060 30 T CB 1.200 69.860 68.868 -0.347 0.000 0.904 30 T HN 0.360 nan 8.240 nan 0.000 0.500 31 S N 2.318 117.932 115.700 -0.143 0.000 2.505 31 S HA 0.252 4.719 4.470 -0.005 0.000 0.216 31 S C 0.441 175.053 174.600 0.020 0.000 1.018 31 S CA -0.392 57.782 58.200 -0.042 0.000 0.911 31 S CB 0.148 63.332 63.200 -0.027 0.000 0.818 31 S HN 0.508 nan 8.310 nan 0.000 0.497 32 K N 0.999 121.396 120.400 -0.006 0.000 2.535 32 K HA 0.622 4.939 4.320 -0.005 0.000 0.250 32 K C -1.967 174.643 176.600 0.016 0.000 0.948 32 K CA -0.507 55.804 56.287 0.039 0.000 0.796 32 K CB 2.253 34.797 32.500 0.073 0.000 1.216 32 K HN 0.011 nan 8.250 nan 0.000 0.432 33 V N 5.213 125.157 119.914 0.050 0.000 2.448 33 V HA 0.447 4.564 4.120 -0.005 0.000 0.295 33 V C -1.377 174.834 176.094 0.195 0.000 1.025 33 V CA -0.751 61.587 62.300 0.063 0.000 0.859 33 V CB 1.243 33.029 31.823 -0.062 0.000 0.988 33 V HN 0.779 nan 8.190 nan 0.000 0.431 34 Y N 3.733 124.109 120.300 0.127 0.000 2.361 34 Y HA 0.728 5.275 4.550 -0.005 0.000 0.337 34 Y C -0.050 175.928 175.900 0.129 0.000 0.965 34 Y CA -0.055 58.141 58.100 0.161 0.000 1.091 34 Y CB 1.930 40.549 38.460 0.264 0.000 1.182 34 Y HN 0.641 nan 8.280 nan 0.000 0.450 35 S N 5.035 120.595 115.700 -0.234 0.000 2.632 35 S HA 0.621 5.088 4.470 -0.005 0.000 0.289 35 S C -1.778 172.499 174.600 -0.539 0.000 1.115 35 S CA -0.723 57.284 58.200 -0.321 0.000 0.889 35 S CB 1.743 64.677 63.200 -0.442 0.000 1.116 35 S HN 0.700 nan 8.310 nan 0.000 0.486 36 Y N -0.429 119.441 120.300 -0.718 0.000 2.588 36 Y HA 0.815 5.362 4.550 -0.004 0.000 0.343 36 Y C -1.741 173.796 175.900 -0.605 0.000 1.065 36 Y CA -1.546 56.208 58.100 -0.577 0.000 1.038 36 Y CB 0.949 39.231 38.460 -0.296 0.000 1.297 36 Y HN 0.604 nan 8.280 nan 0.000 0.467 37 F N 3.061 122.524 119.950 -0.812 0.000 2.495 37 F HA 0.643 5.167 4.527 -0.005 0.000 0.327 37 F C -0.800 174.777 175.800 -0.371 0.000 1.103 37 F CA -0.329 57.209 58.000 -0.771 0.000 0.949 37 F CB 1.427 39.651 39.000 -1.294 0.000 1.142 37 F HN 0.816 nan 8.300 nan 0.000 0.457 38 E N 3.500 123.331 120.200 -0.614 0.000 2.446 38 E HA 0.495 4.842 4.350 -0.005 0.000 0.276 38 E C -1.853 174.481 176.600 -0.444 0.000 0.969 38 E CA -1.167 55.077 56.400 -0.260 0.000 0.800 38 E CB 1.612 31.331 29.700 0.031 0.000 1.341 38 E HN 0.523 nan 8.360 nan 0.000 0.460 39 C N 2.138 121.353 119.300 -0.142 0.000 2.206 39 C HA 0.416 4.873 4.460 -0.005 0.000 0.324 39 C C 0.353 175.316 174.990 -0.045 0.000 1.120 39 C CA -0.629 58.338 59.018 -0.085 0.000 1.546 39 C CB -1.323 26.451 27.740 0.056 0.000 2.023 39 C HN 0.508 nan 8.230 nan 0.000 0.448 40 R N 1.682 122.139 120.500 -0.072 0.000 2.698 40 R HA 0.087 4.424 4.340 -0.005 0.000 0.266 40 R C 0.639 176.940 176.300 0.002 0.000 1.026 40 R CA 0.252 56.336 56.100 -0.027 0.000 1.102 40 R CB 0.849 31.129 30.300 -0.034 0.000 0.978 40 R HN 0.720 nan 8.270 nan 0.000 0.436 55 E N 0.170 120.445 120.200 0.124 0.000 2.442 55 E HA 0.016 4.364 4.350 -0.005 0.000 0.195 55 E C 0.020 176.676 176.600 0.093 0.000 1.030 55 E CA 0.463 56.921 56.400 0.097 0.000 0.869 55 E CB 0.565 30.302 29.700 0.061 0.000 0.857 55 E HN 0.700 nan 8.360 nan 0.000 0.505 56 E N 1.231 121.493 120.200 0.104 0.000 2.293 56 E HA 0.378 4.725 4.350 -0.005 0.000 0.270 56 E C -0.823 175.842 176.600 0.109 0.000 0.879 56 E CA -1.034 55.415 56.400 0.081 0.000 0.756 56 E CB 1.798 31.532 29.700 0.057 0.000 1.208 56 E HN 0.020 nan 8.360 nan 0.000 0.428 57 T N -1.129 113.484 114.554 0.097 0.000 2.863 57 T HA 0.451 4.798 4.350 -0.005 0.000 0.285 57 T C -0.224 174.556 174.700 0.132 0.000 1.009 57 T CA -0.816 61.365 62.100 0.134 0.000 0.989 57 T CB 1.398 70.368 68.868 0.170 0.000 1.004 57 T HN 0.285 nan 8.240 nan 0.000 0.455 58 V N 3.879 123.871 119.914 0.129 0.000 2.432 58 V HA 0.300 4.417 4.120 -0.005 0.000 0.271 58 V C -0.093 176.129 176.094 0.213 0.000 1.046 58 V CA -0.717 61.656 62.300 0.123 0.000 0.945 58 V CB -0.117 31.731 31.823 0.042 0.000 0.992 58 V HN 0.862 nan 8.190 nan 0.000 0.471 59 F N 7.743 127.756 119.950 0.105 0.000 2.466 59 F HA 0.489 5.013 4.527 -0.005 0.000 0.363 59 F C -0.562 175.326 175.800 0.146 0.000 1.109 59 F CA -0.519 57.556 58.000 0.125 0.000 1.161 59 F CB 0.015 39.081 39.000 0.111 0.000 1.117 59 F HN 0.527 nan 8.300 nan 0.000 0.539 60 Y N 4.410 124.363 120.300 -0.579 0.000 2.442 60 Y HA 0.532 5.079 4.550 -0.005 0.000 0.330 60 Y C 0.039 175.642 175.900 -0.496 0.000 1.100 60 Y CA -0.726 57.078 58.100 -0.493 0.000 1.034 60 Y CB 1.893 40.179 38.460 -0.290 0.000 1.285 60 Y HN 0.690 nan 8.280 nan 0.000 0.440 61 G N 3.639 111.740 108.800 -1.165 0.000 2.336 61 G HA2 -0.248 3.709 3.960 -0.005 0.000 0.194 61 G HA3 -0.248 3.709 3.960 -0.005 0.000 0.194 61 G C 0.456 175.084 174.900 -0.453 0.000 0.999 61 G CA 0.125 44.665 45.100 -0.933 0.000 0.669 61 G HN 0.918 nan 8.290 nan 0.000 0.482 62 L N 1.456 122.376 121.223 -0.506 0.000 2.012 62 L HA 0.090 4.427 4.340 -0.005 0.000 0.210 62 L C 2.662 179.409 176.870 -0.205 0.000 1.073 62 L CA 3.353 57.980 54.840 -0.355 0.000 0.748 62 L CB -0.637 41.218 42.059 -0.339 0.000 0.891 62 L HN 0.508 nan 8.230 nan 0.000 0.431 63 Q N -1.867 117.872 119.800 -0.103 0.000 2.112 63 Q HA -0.319 4.018 4.340 -0.005 0.000 0.206 63 Q C 2.276 178.147 176.000 -0.215 0.000 0.987 63 Q CA 2.263 58.007 55.803 -0.098 0.000 0.858 63 Q CB -0.518 28.197 28.738 -0.038 0.000 0.905 63 Q HN 0.670 nan 8.270 nan 0.000 0.420 64 Y N 0.737 120.812 120.300 -0.375 0.000 2.114 64 Y HA -0.282 4.265 4.550 -0.005 0.000 0.282 64 Y C 1.742 177.321 175.900 -0.534 0.000 1.165 64 Y CA 2.136 59.890 58.100 -0.577 0.000 1.148 64 Y CB -0.313 37.863 38.460 -0.474 0.000 0.972 64 Y HN 0.149 nan 8.280 nan 0.000 0.504 65 I N -0.361 119.977 120.570 -0.386 0.000 2.202 65 I HA -0.335 3.832 4.170 -0.005 0.000 0.242 65 I C 2.435 178.366 176.117 -0.310 0.000 1.091 65 I CA 1.323 62.420 61.300 -0.338 0.000 1.368 65 I CB -0.546 37.369 38.000 -0.142 0.000 1.058 65 I HN 0.257 nan 8.210 nan 0.000 0.410 66 L N 0.490 121.563 121.223 -0.250 0.000 1.990 66 L HA -0.289 4.048 4.340 -0.005 0.000 0.213 66 L C 2.369 179.175 176.870 -0.106 0.000 1.072 66 L CA 1.643 56.388 54.840 -0.159 0.000 0.755 66 L CB -0.850 41.182 42.059 -0.045 0.000 0.889 66 L HN 0.394 nan 8.230 nan 0.000 0.432 67 N N -0.204 118.395 118.700 -0.168 0.000 2.171 67 N HA -0.171 4.566 4.740 -0.005 0.000 0.184 67 N C 1.872 177.253 175.510 -0.216 0.000 1.021 67 N CA 1.091 54.078 53.050 -0.104 0.000 0.854 67 N CB -0.002 38.511 38.487 0.044 0.000 0.994 67 N HN 0.329 nan 8.380 nan 0.000 0.426 68 K N -0.196 119.858 120.400 -0.577 0.000 2.103 68 K HA -0.063 4.254 4.320 -0.005 0.000 0.204 68 K C 1.055 177.129 176.600 -0.876 0.000 1.052 68 K CA 1.097 56.855 56.287 -0.882 0.000 0.945 68 K CB 0.168 31.631 32.500 -1.728 0.000 0.722 68 K HN 0.234 nan 8.250 nan 0.000 0.443 69 Y N -1.311 118.732 120.300 -0.429 0.000 2.589 69 Y HA 0.162 4.710 4.550 -0.004 0.000 0.271 69 Y C 1.614 177.427 175.900 -0.145 0.000 1.107 69 Y CA -0.313 57.532 58.100 -0.424 0.000 1.273 69 Y CB 0.682 38.806 38.460 -0.559 0.000 1.266 69 Y HN -0.122 nan 8.280 nan 0.000 0.504 70 L N 0.489 121.719 121.223 0.012 0.000 2.575 70 L HA 0.122 4.459 4.340 -0.005 0.000 0.228 70 L C 0.535 177.532 176.870 0.212 0.000 1.075 70 L CA 0.104 54.963 54.840 0.030 0.000 0.867 70 L CB 0.216 42.111 42.059 -0.273 0.000 1.097 70 L HN 0.017 nan 8.230 nan 0.000 0.485 71 K N 0.549 121.077 120.400 0.213 0.000 2.098 71 K HA 0.599 4.916 4.320 -0.005 0.000 0.257 71 K C 0.418 177.018 176.600 -0.000 0.000 0.999 71 K CA 0.204 56.628 56.287 0.229 0.000 0.924 71 K CB 1.400 33.992 32.500 0.153 0.000 1.028 71 K HN 0.011 nan 8.250 nan 0.000 0.466 72 G N 1.064 109.762 108.800 -0.169 0.000 2.632 72 G HA2 -0.287 3.671 3.960 -0.005 0.000 0.224 72 G HA3 -0.287 3.671 3.960 -0.005 0.000 0.224 72 G C -1.157 173.304 174.900 -0.731 0.000 1.341 72 G CA -0.067 44.789 45.100 -0.406 0.000 0.880 72 G HN 0.846 nan 8.290 nan 0.000 0.566 73 K N 0.384 120.510 120.400 -0.457 0.000 2.278 73 K HA 0.450 4.767 4.320 -0.005 0.000 0.289 73 K C 1.432 178.001 176.600 -0.051 0.000 1.080 73 K CA 0.257 56.421 56.287 -0.205 0.000 0.934 73 K CB 0.323 32.836 32.500 0.021 0.000 1.093 73 K HN 1.261 nan 8.250 nan 0.000 0.459 74 V N 1.498 121.415 119.914 0.004 0.000 3.578 74 V HA 0.205 4.322 4.120 -0.005 0.000 0.290 74 V C 0.010 176.148 176.094 0.073 0.000 1.376 74 V CA -0.357 61.989 62.300 0.078 0.000 1.083 74 V CB 0.573 32.480 31.823 0.140 0.000 0.911 74 V HN 0.243 nan 8.190 nan 0.000 0.433 75 V N 2.103 122.073 119.914 0.093 0.000 2.448 75 V HA 0.742 4.860 4.120 -0.005 0.000 0.295 75 V C 0.163 176.301 176.094 0.073 0.000 1.025 75 V CA 0.416 62.767 62.300 0.084 0.000 0.859 75 V CB 1.349 33.305 31.823 0.222 0.000 0.988 75 V HN 0.625 nan 8.190 nan 0.000 0.431 76 T N 0.290 114.865 114.554 0.034 0.000 2.916 76 T HA 0.440 4.787 4.350 -0.005 0.000 0.292 76 T C 0.774 175.493 174.700 0.032 0.000 1.064 76 T CA -0.517 61.605 62.100 0.036 0.000 1.011 76 T CB 2.162 71.041 68.868 0.019 0.000 1.152 76 T HN 0.611 nan 8.240 nan 0.000 0.510 77 K N 0.496 120.918 120.400 0.037 0.000 2.113 77 K HA -0.209 4.108 4.320 -0.005 0.000 0.208 77 K C 1.572 178.181 176.600 0.016 0.000 1.047 77 K CA 2.084 58.393 56.287 0.036 0.000 0.928 77 K CB -0.232 32.287 32.500 0.033 0.000 0.716 77 K HN 0.638 nan 8.250 nan 0.000 0.446 78 E N 0.781 120.981 120.200 0.000 0.000 2.072 78 E HA -0.098 4.250 4.350 -0.005 0.000 0.191 78 E C 1.797 178.368 176.600 -0.049 0.000 0.985 78 E CA 1.372 57.760 56.400 -0.020 0.000 0.801 78 E CB 0.048 29.736 29.700 -0.020 0.000 0.750 78 E HN 0.337 nan 8.360 nan 0.000 0.452 79 K N 0.223 120.588 120.400 -0.058 0.000 2.097 79 K HA -0.055 4.262 4.320 -0.005 0.000 0.206 79 K C 2.101 178.622 176.600 -0.132 0.000 1.049 79 K CA 1.017 57.236 56.287 -0.114 0.000 0.933 79 K CB -0.152 32.272 32.500 -0.126 0.000 0.717 79 K HN 0.144 nan 8.250 nan 0.000 0.442 80 I N 0.847 121.387 120.570 -0.050 0.000 2.202 80 I HA -0.285 3.882 4.170 -0.005 0.000 0.242 80 I C 2.678 178.809 176.117 0.022 0.000 1.091 80 I CA 1.124 62.452 61.300 0.046 0.000 1.368 80 I CB -0.255 37.836 38.000 0.150 0.000 1.058 80 I HN 0.149 nan 8.210 nan 0.000 0.410 81 Q N 1.354 121.157 119.800 0.005 0.000 2.061 81 Q HA -0.282 4.055 4.340 -0.005 0.000 0.204 81 Q C 1.988 177.933 176.000 -0.092 0.000 0.984 81 Q CA 2.174 57.969 55.803 -0.013 0.000 0.846 81 Q CB -0.289 28.445 28.738 -0.006 0.000 0.902 81 Q HN 0.502 nan 8.270 nan 0.000 0.421 82 E N -0.925 119.197 120.200 -0.130 0.000 2.049 82 E HA -0.251 4.096 4.350 -0.005 0.000 0.198 82 E C 1.765 178.179 176.600 -0.310 0.000 1.007 82 E CA 1.396 57.683 56.400 -0.188 0.000 0.809 82 E CB -0.353 29.238 29.700 -0.181 0.000 0.749 82 E HN 0.424 nan 8.360 nan 0.000 0.450 83 A N 1.322 123.896 122.820 -0.410 0.000 1.902 83 A HA -0.218 4.099 4.320 -0.005 0.000 0.217 83 A C 2.164 179.282 177.584 -0.777 0.000 1.181 83 A CA 1.764 53.381 52.037 -0.700 0.000 0.623 83 A CB -0.578 17.987 19.000 -0.726 0.000 0.818 83 A HN 0.262 nan 8.150 nan 0.000 0.443 84 K N -0.507 119.550 120.400 -0.571 0.000 2.032 84 K HA -0.228 4.090 4.320 -0.005 0.000 0.209 84 K C 1.316 177.868 176.600 -0.081 0.000 1.048 84 K CA 1.893 58.056 56.287 -0.208 0.000 0.927 84 K CB -0.235 32.327 32.500 0.103 0.000 0.712 84 K HN 0.414 nan 8.250 nan 0.000 0.441 85 D N 0.041 120.371 120.400 -0.117 0.000 2.144 85 D HA -0.114 4.523 4.640 -0.005 0.000 0.200 85 D C 1.974 178.214 176.300 -0.099 0.000 0.978 85 D CA 0.808 54.764 54.000 -0.073 0.000 0.833 85 D CB -0.136 40.618 40.800 -0.077 0.000 0.961 85 D HN 0.040 nan 8.370 nan 0.000 0.470 86 V N 0.384 120.160 119.914 -0.231 0.000 2.270 86 V HA -0.241 3.876 4.120 -0.005 0.000 0.245 86 V C 2.091 178.110 176.094 -0.126 0.000 1.043 86 V CA 1.388 63.524 62.300 -0.273 0.000 1.014 86 V CB -0.808 30.712 31.823 -0.505 0.000 0.645 86 V HN 0.238 nan 8.190 nan 0.000 0.447 87 Y N 0.287 120.594 120.300 0.011 0.000 2.274 87 Y HA -0.262 4.284 4.550 -0.006 0.000 0.290 87 Y C 2.582 178.657 175.900 0.292 0.000 1.145 87 Y CA 1.449 59.695 58.100 0.243 0.000 1.203 87 Y CB -0.241 38.382 38.460 0.273 0.000 0.984 87 Y HN 0.163 nan 8.280 nan 0.000 0.533 88 K N 0.964 121.539 120.400 0.291 0.000 2.063 88 K HA -0.197 4.120 4.320 -0.005 0.000 0.208 88 K C 1.565 178.276 176.600 0.184 0.000 1.048 88 K CA 1.855 58.274 56.287 0.220 0.000 0.928 88 K CB -0.208 32.373 32.500 0.135 0.000 0.713 88 K HN 0.196 nan 8.250 nan 0.000 0.442 89 E N -0.890 119.391 120.200 0.135 0.000 2.076 89 E HA -0.140 4.207 4.350 -0.005 0.000 0.190 89 E C 2.126 178.796 176.600 0.117 0.000 0.979 89 E CA 1.029 57.486 56.400 0.095 0.000 0.807 89 E CB -0.563 29.162 29.700 0.042 0.000 0.761 89 E HN 0.523 nan 8.360 nan 0.000 0.454 90 H N -0.128 118.952 119.070 0.017 0.000 2.353 90 H HA -0.070 4.483 4.556 -0.005 0.000 0.300 90 H C 1.477 176.684 175.328 -0.203 0.000 1.090 90 H CA 1.544 57.527 56.048 -0.108 0.000 1.327 90 H CB -0.266 29.423 29.762 -0.121 0.000 1.383 90 H HN 0.054 nan 8.280 nan 0.000 0.508 91 F N -0.063 119.922 119.950 0.059 0.000 2.698 91 F HA 0.103 4.628 4.527 -0.004 0.000 0.295 91 F C 0.722 176.525 175.800 0.005 0.000 1.124 91 F CA 0.269 58.257 58.000 -0.021 0.000 1.426 91 F CB 0.388 39.413 39.000 0.041 0.000 1.120 91 F HN 0.011 nan 8.300 nan 0.000 0.583 92 Q N 1.514 121.423 119.800 0.182 0.000 2.463 92 Q HA -0.257 4.081 4.340 -0.005 0.000 0.299 92 Q C -0.977 175.103 176.000 0.134 0.000 1.353 92 Q CA 1.337 57.213 55.803 0.121 0.000 0.828 92 Q CB -1.831 26.947 28.738 0.068 0.000 1.157 92 Q HN 0.684 nan 8.270 nan 0.000 0.436 93 D N -1.329 119.173 120.400 0.170 0.000 2.951 93 D HA 0.086 4.723 4.640 -0.005 0.000 0.262 93 D C -1.569 174.827 176.300 0.160 0.000 1.110 93 D CA -0.489 53.596 54.000 0.141 0.000 0.724 93 D CB 0.676 41.554 40.800 0.129 0.000 1.516 93 D HN -0.071 nan 8.370 nan 0.000 0.447 94 D N 2.450 122.920 120.400 0.115 0.000 2.943 94 D HA 0.164 4.801 4.640 -0.005 0.000 0.249 94 D C 1.395 177.756 176.300 0.102 0.000 1.231 94 D CA 0.097 54.179 54.000 0.136 0.000 0.979 94 D CB 0.912 41.785 40.800 0.122 0.000 1.053 94 D HN 0.242 nan 8.370 nan 0.000 0.504 95 V N 0.133 120.068 119.914 0.036 0.000 2.719 95 V HA -0.050 4.068 4.120 -0.005 0.000 0.252 95 V C 1.315 177.492 176.094 0.139 0.000 1.065 95 V CA 0.081 62.363 62.300 -0.029 0.000 1.086 95 V CB -0.921 30.684 31.823 -0.363 0.000 0.700 95 V HN 0.251 nan 8.190 nan 0.000 0.467 96 F N 3.314 123.273 119.950 0.014 0.000 2.623 96 F HA 0.117 4.641 4.527 -0.005 0.000 0.383 96 F C 0.861 176.625 175.800 -0.060 0.000 1.077 96 F CA -0.524 57.497 58.000 0.035 0.000 1.268 96 F CB -0.062 39.054 39.000 0.193 0.000 1.053 96 F HN 0.035 nan 8.300 nan 0.000 0.571 97 N N 5.178 123.230 118.700 -1.081 0.000 3.193 97 N HA -0.066 4.671 4.740 -0.005 0.000 0.312 97 N C 1.285 176.083 175.510 -1.186 0.000 1.261 97 N CA 0.400 52.636 53.050 -1.357 0.000 1.208 97 N CB -0.496 36.812 38.487 -1.965 0.000 1.471 97 N HN 0.886 nan 8.380 nan 0.000 0.548 98 E N 1.128 120.789 120.200 -0.898 0.000 2.085 98 E HA -0.232 4.115 4.350 -0.005 0.000 0.194 98 E C 1.088 177.560 176.600 -0.214 0.000 0.994 98 E CA 1.250 57.395 56.400 -0.425 0.000 0.801 98 E CB 0.270 29.940 29.700 -0.049 0.000 0.743 98 E HN 0.445 nan 8.360 nan 0.000 0.453 99 K N -0.488 119.775 120.400 -0.228 0.000 2.026 99 K HA -0.101 4.216 4.320 -0.005 0.000 0.208 99 K C 2.203 178.739 176.600 -0.107 0.000 1.048 99 K CA 1.106 57.324 56.287 -0.115 0.000 0.929 99 K CB -0.337 32.103 32.500 -0.099 0.000 0.713 99 K HN 0.222 nan 8.250 nan 0.000 0.439 100 G N 0.359 108.963 108.800 -0.326 0.000 2.440 100 G HA2 -0.243 3.714 3.960 -0.005 0.000 0.218 100 G HA3 -0.243 3.714 3.960 -0.005 0.000 0.218 100 G C 1.089 175.945 174.900 -0.074 0.000 1.154 100 G CA 0.680 45.611 45.100 -0.283 0.000 0.767 100 G HN 0.371 nan 8.290 nan 0.000 0.552 101 W N 0.448 121.643 121.300 -0.175 0.000 2.436 101 W HA 0.077 4.734 4.660 -0.005 0.000 0.284 101 W C 2.558 179.107 176.519 0.051 0.000 1.225 101 W CA 0.603 57.935 57.345 -0.022 0.000 1.271 101 W CB -0.084 29.306 29.460 -0.117 0.000 1.114 101 W HN 0.187 nan 8.180 nan 0.000 0.559 102 N N -0.719 118.123 118.700 0.237 0.000 2.120 102 N HA -0.278 4.460 4.740 -0.005 0.000 0.188 102 N C 1.586 177.194 175.510 0.163 0.000 1.024 102 N CA 1.533 54.687 53.050 0.173 0.000 0.852 102 N CB -0.554 38.002 38.487 0.114 0.000 1.003 102 N HN 0.113 nan 8.380 nan 0.000 0.424 103 Y N 1.236 121.574 120.300 0.063 0.000 2.081 103 Y HA -0.222 4.325 4.550 -0.005 0.000 0.280 103 Y C 1.831 177.784 175.900 0.089 0.000 1.163 103 Y CA 1.659 59.791 58.100 0.053 0.000 1.135 103 Y CB -0.402 38.090 38.460 0.053 0.000 0.970 103 Y HN 0.102 nan 8.280 nan 0.000 0.498 104 I N -0.779 119.875 120.570 0.140 0.000 2.226 104 I HA -0.296 3.871 4.170 -0.005 0.000 0.245 104 I C 2.338 178.531 176.117 0.126 0.000 1.100 104 I CA 1.258 62.653 61.300 0.158 0.000 1.374 104 I CB -0.549 37.598 38.000 0.245 0.000 1.057 104 I HN 0.323 nan 8.210 nan 0.000 0.413 105 L N 0.972 122.285 121.223 0.149 0.000 1.989 105 L HA -0.238 4.099 4.340 -0.005 0.000 0.211 105 L C 2.379 179.260 176.870 0.018 0.000 1.071 105 L CA 1.990 56.899 54.840 0.116 0.000 0.749 105 L CB -0.692 41.444 42.059 0.127 0.000 0.890 105 L HN 0.211 nan 8.230 nan 0.000 0.431 106 E N -0.804 119.368 120.200 -0.048 0.000 2.028 106 E HA -0.249 4.098 4.350 -0.005 0.000 0.191 106 E C 2.141 178.600 176.600 -0.235 0.000 0.988 106 E CA 1.208 57.544 56.400 -0.106 0.000 0.799 106 E CB -0.114 29.538 29.700 -0.080 0.000 0.755 106 E HN 0.233 nan 8.360 nan 0.000 0.447 107 K N 0.273 120.391 120.400 -0.470 0.000 2.057 107 K HA -0.103 4.214 4.320 -0.005 0.000 0.206 107 K C 0.703 176.855 176.600 -0.747 0.000 1.050 107 K CA 1.379 57.208 56.287 -0.764 0.000 0.935 107 K CB -0.004 31.667 32.500 -1.383 0.000 0.715 107 K HN 0.184 nan 8.250 nan 0.000 0.439 108 Y N -0.258 119.946 120.300 -0.160 0.000 2.682 108 Y HA 0.204 4.751 4.550 -0.005 0.000 0.251 108 Y C -0.330 175.561 175.900 -0.015 0.000 1.172 108 Y CA -0.416 57.633 58.100 -0.085 0.000 1.186 108 Y CB 0.579 39.014 38.460 -0.041 0.000 1.216 108 Y HN 0.076 nan 8.280 nan 0.000 0.540 109 D N 1.216 121.668 120.400 0.087 0.000 2.701 109 D HA -0.211 4.426 4.640 -0.005 0.000 0.235 109 D C 1.320 177.799 176.300 0.298 0.000 1.155 109 D CA 1.600 55.682 54.000 0.137 0.000 0.649 109 D CB -1.093 39.752 40.800 0.076 0.000 1.050 109 D HN 0.758 nan 8.370 nan 0.000 0.425 110 G N -0.536 108.424 108.800 0.266 0.000 2.155 110 G HA2 -0.353 3.604 3.960 -0.005 0.000 0.257 110 G HA3 -0.353 3.604 3.960 -0.005 0.000 0.257 110 G C 0.105 175.157 174.900 0.253 0.000 0.983 110 G CA 0.457 45.709 45.100 0.253 0.000 0.676 110 G HN 0.689 nan 8.290 nan 0.000 0.528 111 H N -0.348 118.808 119.070 0.145 0.000 2.580 111 H HA 0.547 5.100 4.556 -0.004 0.000 0.322 111 H C 1.046 176.414 175.328 0.067 0.000 1.082 111 H CA -0.519 55.590 56.048 0.102 0.000 1.383 111 H CB 0.770 30.558 29.762 0.042 0.000 1.450 111 H HN 0.241 nan 8.280 nan 0.000 0.505 112 L N 6.079 127.415 121.223 0.188 0.000 2.433 112 L HA 0.162 4.499 4.340 -0.005 0.000 0.275 112 L C -1.750 175.121 176.870 0.002 0.000 1.128 112 L CA -1.745 53.169 54.840 0.123 0.000 0.875 112 L CB 0.392 42.578 42.059 0.211 0.000 1.171 112 L HN 0.492 nan 8.230 nan 0.000 0.463 113 P HA 0.236 nan 4.420 nan 0.000 0.244 113 P C -0.500 176.728 177.300 -0.120 0.000 1.769 113 P CA 0.380 63.290 63.100 -0.316 0.000 1.102 113 P CB 0.076 31.475 31.700 -0.501 0.000 1.937 114 I N 0.757 121.348 120.570 0.035 0.000 2.686 114 I HA 0.323 4.490 4.170 -0.005 0.000 0.295 114 I C -0.017 176.230 176.117 0.216 0.000 1.114 114 I CA -0.895 60.478 61.300 0.121 0.000 1.038 114 I CB 3.350 41.436 38.000 0.142 0.000 1.238 114 I HN 0.034 nan 8.210 nan 0.000 0.420 115 E N 6.416 126.716 120.200 0.166 0.000 2.176 115 E HA 0.587 4.934 4.350 -0.005 0.000 0.267 115 E C -1.497 175.217 176.600 0.190 0.000 0.893 115 E CA -0.547 55.966 56.400 0.188 0.000 0.761 115 E CB 1.484 31.258 29.700 0.122 0.000 1.133 115 E HN 0.420 nan 8.360 nan 0.000 0.409 116 I N 4.488 125.203 120.570 0.241 0.000 2.378 116 I HA 0.329 4.496 4.170 -0.005 0.000 0.291 116 I C -0.319 175.900 176.117 0.170 0.000 0.992 116 I CA -0.742 60.667 61.300 0.181 0.000 1.154 116 I CB 1.576 39.643 38.000 0.112 0.000 1.315 116 I HN 0.283 nan 8.210 nan 0.000 0.448 117 K N 5.484 125.975 120.400 0.151 0.000 2.244 117 K HA 0.866 5.183 4.320 -0.005 0.000 0.260 117 K C -0.892 175.794 176.600 0.144 0.000 0.951 117 K CA -0.620 55.748 56.287 0.135 0.000 0.826 117 K CB 2.502 35.062 32.500 0.099 0.000 1.108 117 K HN 0.689 nan 8.250 nan 0.000 0.433 118 A N 1.852 124.749 122.820 0.127 0.000 2.539 118 A HA 0.421 4.738 4.320 -0.005 0.000 0.296 118 A C -1.018 176.555 177.584 -0.018 0.000 1.073 118 A CA -0.731 51.344 52.037 0.062 0.000 0.700 118 A CB 1.588 20.681 19.000 0.154 0.000 1.296 118 A HN 0.477 nan 8.150 nan 0.000 0.405 119 V N 2.186 121.954 119.914 -0.243 0.000 2.763 119 V HA 0.282 4.399 4.120 -0.005 0.000 0.306 119 V C -2.109 173.838 176.094 -0.245 0.000 1.059 119 V CA -1.177 60.947 62.300 -0.294 0.000 1.138 119 V CB 0.900 32.514 31.823 -0.348 0.000 0.940 119 V HN 0.782 nan 8.190 nan 0.000 0.489 120 P HA 0.098 nan 4.420 nan 0.000 0.266 120 P C -0.545 176.522 177.300 -0.388 0.000 1.195 120 P CA 0.083 62.746 63.100 -0.729 0.000 0.768 120 P CB 0.295 31.376 31.700 -1.032 0.000 0.838 121 E N 1.356 121.285 120.200 -0.452 0.000 2.413 121 E HA 0.209 4.556 4.350 -0.005 0.000 0.263 121 E C 1.284 177.877 176.600 -0.011 0.000 1.015 121 E CA 0.822 57.192 56.400 -0.049 0.000 0.916 121 E CB -0.021 29.687 29.700 0.013 0.000 0.947 121 E HN 0.783 nan 8.360 nan 0.000 0.440 122 G N 2.594 111.446 108.800 0.087 0.000 2.253 122 G HA2 -0.300 3.657 3.960 -0.005 0.000 0.251 122 G HA3 -0.300 3.657 3.960 -0.005 0.000 0.251 122 G C 0.092 175.086 174.900 0.157 0.000 0.998 122 G CA -0.248 44.873 45.100 0.036 0.000 0.621 122 G HN 0.445 nan 8.290 nan 0.000 0.524 123 F N 1.040 120.995 119.950 0.010 0.000 2.607 123 F HA 0.415 4.939 4.527 -0.005 0.000 0.374 123 F C 1.027 176.838 175.800 0.019 0.000 1.104 123 F CA -0.037 57.977 58.000 0.024 0.000 1.296 123 F CB 1.120 40.136 39.000 0.027 0.000 1.085 123 F HN 0.010 nan 8.300 nan 0.000 0.584 124 V N 6.388 126.307 119.914 0.008 0.000 2.328 124 V HA 0.355 4.472 4.120 -0.005 0.000 0.278 124 V C -0.056 175.972 176.094 -0.109 0.000 1.021 124 V CA -0.587 61.706 62.300 -0.011 0.000 0.838 124 V CB 0.976 32.784 31.823 -0.025 0.000 0.999 124 V HN 0.345 nan 8.190 nan 0.000 0.447 125 I N 6.455 126.942 120.570 -0.138 0.000 2.545 125 I HA 0.492 4.659 4.170 -0.005 0.000 0.292 125 I C -2.578 173.448 176.117 -0.152 0.000 1.040 125 I CA -2.646 58.429 61.300 -0.375 0.000 1.068 125 I CB 2.194 39.979 38.000 -0.358 0.000 1.251 125 I HN 0.334 nan 8.210 nan 0.000 0.424 126 P HA 0.169 nan 4.420 nan 0.000 0.269 126 P C -0.092 177.212 177.300 0.006 0.000 1.215 126 P CA -0.253 62.850 63.100 0.006 0.000 0.780 126 P CB 0.530 32.272 31.700 0.069 0.000 0.898 127 R N 1.317 121.840 120.500 0.040 0.000 2.756 127 R HA 0.282 4.619 4.340 -0.005 0.000 0.264 127 R C 1.275 177.593 176.300 0.030 0.000 1.026 127 R CA 1.209 57.334 56.100 0.041 0.000 1.121 127 R CB -0.521 29.812 30.300 0.055 0.000 0.999 127 R HN 0.876 nan 8.270 nan 0.000 0.449 128 G N 1.144 109.959 108.800 0.024 0.000 2.136 128 G HA2 -0.243 3.714 3.960 -0.005 0.000 0.242 128 G HA3 -0.243 3.714 3.960 -0.005 0.000 0.242 128 G C -0.325 174.586 174.900 0.019 0.000 0.989 128 G CA -0.237 44.878 45.100 0.024 0.000 0.682 128 G HN 0.608 nan 8.290 nan 0.000 0.522 129 N N -0.653 118.054 118.700 0.012 0.000 2.370 129 N HA 0.471 5.208 4.740 -0.005 0.000 0.303 129 N C 0.073 175.587 175.510 0.006 0.000 1.103 129 N CA -0.401 52.645 53.050 -0.006 0.000 0.848 129 N CB 2.362 40.828 38.487 -0.035 0.000 1.235 129 N HN 0.186 nan 8.380 nan 0.000 0.496 130 V N 2.947 122.851 119.914 -0.016 0.000 2.540 130 V HA 0.027 4.145 4.120 -0.005 0.000 0.297 130 V C 1.020 177.090 176.094 -0.039 0.000 1.024 130 V CA 0.685 62.991 62.300 0.011 0.000 1.105 130 V CB -0.276 31.515 31.823 -0.053 0.000 0.938 130 V HN 0.553 nan 8.190 nan 0.000 0.482 131 L N 6.756 127.961 121.223 -0.029 0.000 2.467 131 L HA 0.408 4.745 4.340 -0.005 0.000 0.213 131 L C 0.191 176.941 176.870 -0.200 0.000 1.053 131 L CA 0.304 55.028 54.840 -0.192 0.000 0.847 131 L CB 0.097 42.130 42.059 -0.044 0.000 1.075 131 L HN 0.755 nan 8.230 nan 0.000 0.479 132 F N -1.554 118.353 119.950 -0.071 0.000 2.668 132 F HA 0.640 5.164 4.527 -0.005 0.000 0.309 132 F C -0.685 175.121 175.800 0.010 0.000 1.117 132 F CA -1.031 56.938 58.000 -0.052 0.000 0.951 132 F CB 1.160 40.144 39.000 -0.026 0.000 1.323 132 F HN -0.194 nan 8.300 nan 0.000 0.451 133 T N -0.154 114.505 114.554 0.175 0.000 2.893 133 T HA 0.844 5.191 4.350 -0.005 0.000 0.291 133 T C -1.514 173.197 174.700 0.018 0.000 1.028 133 T CA -0.814 61.238 62.100 -0.080 0.000 0.995 133 T CB 1.664 70.376 68.868 -0.259 0.000 1.051 133 T HN 0.851 nan 8.240 nan 0.000 0.470 134 V N 2.593 122.437 119.914 -0.118 0.000 2.709 134 V HA 0.766 4.883 4.120 -0.005 0.000 0.308 134 V C -0.514 175.547 176.094 -0.055 0.000 1.062 134 V CA -0.839 61.488 62.300 0.046 0.000 0.901 134 V CB 1.492 33.481 31.823 0.276 0.000 1.003 134 V HN 1.181 nan 8.190 nan 0.000 0.425 135 E N 3.083 123.310 120.200 0.045 0.000 2.413 135 E HA 0.435 4.782 4.350 -0.005 0.000 0.277 135 E C -1.552 175.094 176.600 0.077 0.000 0.958 135 E CA -1.005 55.455 56.400 0.100 0.000 0.779 135 E CB 2.169 32.008 29.700 0.233 0.000 1.278 135 E HN 0.630 nan 8.360 nan 0.000 0.456 136 N N 0.800 119.528 118.700 0.046 0.000 2.524 136 N HA 0.055 4.792 4.740 -0.005 0.000 0.283 136 N C 0.392 175.911 175.510 0.015 0.000 1.142 136 N CA -0.010 53.026 53.050 -0.023 0.000 0.984 136 N CB 1.496 39.919 38.487 -0.107 0.000 1.155 136 N HN 0.673 nan 8.380 nan 0.000 0.467 137 T N -3.581 110.964 114.554 -0.016 0.000 3.054 137 T HA 0.081 4.429 4.350 -0.005 0.000 0.255 137 T C -0.170 174.543 174.700 0.023 0.000 1.035 137 T CA -0.201 61.901 62.100 0.005 0.000 0.941 137 T CB 0.021 68.875 68.868 -0.025 0.000 1.026 137 T HN 0.542 nan 8.240 nan 0.000 0.533 138 D N 1.201 121.617 120.400 0.026 0.000 2.649 138 D HA 0.368 5.005 4.640 -0.005 0.000 0.249 138 D C -2.219 174.127 176.300 0.076 0.000 1.112 138 D CA -2.328 51.741 54.000 0.114 0.000 0.850 138 D CB 2.758 43.717 40.800 0.265 0.000 1.399 138 D HN -0.208 nan 8.370 nan 0.000 0.503 139 P HA -0.105 nan 4.420 nan 0.000 0.218 139 P C 0.799 178.163 177.300 0.106 0.000 1.148 139 P CA 1.018 64.159 63.100 0.070 0.000 0.822 139 P CB 0.400 32.127 31.700 0.045 0.000 0.784 140 E N -1.458 118.771 120.200 0.049 0.000 2.338 140 E HA -0.077 4.270 4.350 -0.005 0.000 0.197 140 E C 0.613 177.243 176.600 0.049 0.000 1.007 140 E CA 0.788 57.196 56.400 0.012 0.000 0.849 140 E CB -0.394 29.064 29.700 -0.403 0.000 0.774 140 E HN 0.289 nan 8.360 nan 0.000 0.506 141 C N 1.610 120.838 119.300 -0.121 0.000 2.470 141 C HA 0.137 4.594 4.460 -0.005 0.000 0.311 141 C C 1.765 176.298 174.990 -0.762 0.000 1.387 141 C CA -1.014 57.628 59.018 -0.627 0.000 1.783 141 C CB -2.094 25.366 27.740 -0.468 0.000 2.416 141 C HN 0.508 nan 8.230 nan 0.000 0.558 142 Y N -0.059 120.032 120.300 -0.348 0.000 2.315 142 Y HA -0.181 4.367 4.550 -0.005 0.000 0.288 142 Y C 2.136 177.862 175.900 -0.290 0.000 1.154 142 Y CA 1.452 59.398 58.100 -0.256 0.000 1.229 142 Y CB -0.819 37.550 38.460 -0.152 0.000 0.980 142 Y HN 0.641 nan 8.280 nan 0.000 0.540 143 W N 0.209 120.901 121.300 -1.015 0.000 2.905 143 W HA 0.141 4.798 4.660 -0.005 0.000 0.251 143 W C 1.366 177.804 176.519 -0.136 0.000 1.305 143 W CA -0.037 56.993 57.345 -0.525 0.000 1.465 143 W CB -0.834 28.290 29.460 -0.559 0.000 1.122 143 W HN 0.229 nan 8.180 nan 0.000 0.659 144 L N 1.582 122.161 121.223 -1.074 0.000 2.131 144 L HA -0.132 4.205 4.340 -0.005 0.000 0.206 144 L C 2.464 179.245 176.870 -0.148 0.000 1.087 144 L CA 1.785 56.121 54.840 -0.839 0.000 0.767 144 L CB -0.702 40.678 42.059 -1.133 0.000 0.917 144 L HN -0.112 nan 8.230 nan 0.000 0.441 145 T N 0.412 114.901 114.554 -0.108 0.000 2.592 145 T HA -0.252 4.095 4.350 -0.005 0.000 0.267 145 T C 1.429 176.290 174.700 0.269 0.000 1.060 145 T CA 2.227 64.388 62.100 0.102 0.000 1.167 145 T CB -0.296 68.635 68.868 0.105 0.000 0.863 145 T HN 0.317 nan 8.240 nan 0.000 0.431 146 N N -0.266 118.621 118.700 0.313 0.000 2.422 146 N HA 0.057 4.795 4.740 -0.005 0.000 0.181 146 N C 1.183 176.879 175.510 0.309 0.000 1.080 146 N CA 0.010 53.278 53.050 0.364 0.000 0.893 146 N CB -0.213 38.536 38.487 0.438 0.000 0.973 146 N HN 0.481 nan 8.380 nan 0.000 0.456 147 W N 2.003 123.431 121.300 0.214 0.000 2.321 147 W HA -0.135 4.523 4.660 -0.002 0.000 0.306 147 W C 1.087 177.704 176.519 0.164 0.000 1.217 147 W CA 1.177 58.674 57.345 0.254 0.000 1.257 147 W CB -0.112 29.581 29.460 0.389 0.000 1.145 147 W HN 0.082 nan 8.180 nan 0.000 0.509 148 I N -1.214 119.579 120.570 0.371 0.000 3.812 148 I HA 0.076 4.243 4.170 -0.005 0.000 0.320 148 I C 1.827 177.906 176.117 -0.063 0.000 1.276 148 I CA 0.616 62.042 61.300 0.209 0.000 1.164 148 I CB -0.631 37.488 38.000 0.198 0.000 1.009 148 I HN -0.041 nan 8.210 nan 0.000 0.431 149 E N 2.181 122.236 120.200 -0.241 0.000 2.070 149 E HA -0.240 4.107 4.350 -0.005 0.000 0.197 149 E C 1.750 178.141 176.600 -0.349 0.000 1.004 149 E CA 2.683 58.631 56.400 -0.753 0.000 0.805 149 E CB -0.058 29.248 29.700 -0.656 0.000 0.744 149 E HN 0.591 nan 8.360 nan 0.000 0.451 150 T N 1.416 115.890 114.554 -0.133 0.000 2.652 150 T HA -0.183 4.164 4.350 -0.005 0.000 0.267 150 T C 1.969 176.674 174.700 0.008 0.000 1.039 150 T CA 1.418 63.501 62.100 -0.028 0.000 1.153 150 T CB -0.384 68.475 68.868 -0.015 0.000 0.863 150 T HN 0.265 nan 8.240 nan 0.000 0.428 151 I N 0.477 121.047 120.570 -0.000 0.000 2.286 151 I HA -0.119 4.048 4.170 -0.005 0.000 0.248 151 I C 1.991 178.110 176.117 0.003 0.000 1.115 151 I CA 1.352 62.650 61.300 -0.003 0.000 1.392 151 I CB -0.062 37.941 38.000 0.006 0.000 1.065 151 I HN 0.199 nan 8.210 nan 0.000 0.418 152 L N -0.827 120.392 121.223 -0.007 0.000 2.179 152 L HA -0.105 4.232 4.340 -0.005 0.000 0.208 152 L C 2.382 179.361 176.870 0.181 0.000 1.096 152 L CA 0.413 55.276 54.840 0.040 0.000 0.779 152 L CB -0.415 41.716 42.059 0.120 0.000 0.922 152 L HN 0.064 nan 8.230 nan 0.000 0.443 153 V N -0.280 119.762 119.914 0.213 0.000 2.626 153 V HA -0.266 3.851 4.120 -0.005 0.000 0.252 153 V C 2.274 178.670 176.094 0.502 0.000 1.067 153 V CA 1.382 63.952 62.300 0.449 0.000 1.081 153 V CB -0.497 31.537 31.823 0.352 0.000 0.686 153 V HN 0.518 nan 8.190 nan 0.000 0.468 154 Q N 0.305 120.293 119.800 0.313 0.000 2.443 154 Q HA -0.176 4.161 4.340 -0.005 0.000 0.213 154 Q C 2.274 178.282 176.000 0.013 0.000 0.982 154 Q CA 1.469 57.405 55.803 0.222 0.000 0.894 154 Q CB -0.282 28.518 28.738 0.103 0.000 0.947 154 Q HN 0.844 nan 8.270 nan 0.000 0.480 155 S N 0.462 116.199 115.700 0.062 0.000 2.469 155 S HA -0.154 4.313 4.470 -0.005 0.000 0.238 155 S C 1.566 176.192 174.600 0.044 0.000 0.998 155 S CA 0.553 58.717 58.200 -0.060 0.000 0.957 155 S CB -0.802 62.304 63.200 -0.157 0.000 0.764 155 S HN 0.701 nan 8.310 nan 0.000 0.514 156 W N 1.036 122.497 121.300 0.267 0.000 2.325 156 W HA -0.279 4.379 4.660 -0.003 0.000 0.299 156 W C 1.821 178.471 176.519 0.218 0.000 1.215 156 W CA 0.996 58.539 57.345 0.329 0.000 1.244 156 W CB -1.145 28.507 29.460 0.320 0.000 1.140 156 W HN 0.391 nan 8.180 nan 0.000 0.523 157 Y N 4.084 123.683 120.300 -1.168 0.000 2.109 157 Y HA -0.090 4.458 4.550 -0.004 0.000 0.285 157 Y C -0.058 175.542 175.900 -0.501 0.000 1.131 157 Y CA 2.185 59.473 58.100 -1.354 0.000 1.121 157 Y CB -1.941 35.649 38.460 -1.451 0.000 0.987 157 Y HN -0.238 nan 8.280 nan 0.000 0.495 158 P HA -0.199 nan 4.420 nan 0.000 0.216 158 P C 1.814 179.016 177.300 -0.164 0.000 1.150 158 P CA 2.049 64.924 63.100 -0.374 0.000 0.837 158 P CB -0.176 31.321 31.700 -0.339 0.000 0.786 159 I N -0.208 120.298 120.570 -0.107 0.000 2.163 159 I HA -0.233 3.934 4.170 -0.005 0.000 0.243 159 I C 2.342 178.486 176.117 0.046 0.000 1.085 159 I CA 1.965 63.291 61.300 0.044 0.000 1.347 159 I CB -1.141 36.978 38.000 0.198 0.000 1.044 159 I HN 0.008 nan 8.210 nan 0.000 0.408 160 T N 0.096 114.664 114.554 0.024 0.000 2.812 160 T HA -0.078 4.269 4.350 -0.005 0.000 0.264 160 T C 2.008 176.679 174.700 -0.049 0.000 1.042 160 T CA 1.024 63.153 62.100 0.048 0.000 1.140 160 T CB -0.208 68.810 68.868 0.249 0.000 0.870 160 T HN 0.086 nan 8.240 nan 0.000 0.445 161 V N 1.922 121.710 119.914 -0.211 0.000 2.287 161 V HA -0.185 3.932 4.120 -0.005 0.000 0.248 161 V C 2.914 178.972 176.094 -0.060 0.000 1.053 161 V CA 1.814 63.996 62.300 -0.197 0.000 1.027 161 V CB -1.202 30.374 31.823 -0.411 0.000 0.646 161 V HN 0.526 nan 8.190 nan 0.000 0.447 162 A N -0.520 122.266 122.820 -0.057 0.000 1.930 162 A HA -0.197 4.120 4.320 -0.005 0.000 0.217 162 A C 2.389 179.984 177.584 0.018 0.000 1.175 162 A CA 2.413 54.428 52.037 -0.036 0.000 0.627 162 A CB -0.841 18.121 19.000 -0.063 0.000 0.815 162 A HN 0.512 nan 8.150 nan 0.000 0.443 163 T N 0.009 114.593 114.554 0.050 0.000 2.732 163 T HA -0.125 4.222 4.350 -0.005 0.000 0.261 163 T C 1.979 176.782 174.700 0.170 0.000 1.040 163 T CA 1.578 63.741 62.100 0.106 0.000 1.145 163 T CB -0.422 68.517 68.868 0.119 0.000 0.866 163 T HN 0.637 nan 8.240 nan 0.000 0.427 164 N N 0.856 119.653 118.700 0.162 0.000 2.166 164 N HA -0.096 4.641 4.740 -0.005 0.000 0.186 164 N C 2.007 177.630 175.510 0.189 0.000 1.019 164 N CA 1.547 54.742 53.050 0.241 0.000 0.856 164 N CB -0.393 38.185 38.487 0.151 0.000 0.993 164 N HN 0.211 nan 8.380 nan 0.000 0.426 165 S N -0.112 115.687 115.700 0.164 0.000 2.368 165 S HA -0.126 4.341 4.470 -0.005 0.000 0.225 165 S C 2.006 176.772 174.600 0.277 0.000 1.030 165 S CA 1.184 59.539 58.200 0.258 0.000 0.999 165 S CB -0.355 63.044 63.200 0.332 0.000 0.844 165 S HN 0.446 nan 8.310 nan 0.000 0.459 166 R N 0.429 121.014 120.500 0.141 0.000 2.092 166 R HA -0.035 4.303 4.340 -0.005 0.000 0.231 166 R C 2.066 178.413 176.300 0.078 0.000 1.119 166 R CA 1.491 57.626 56.100 0.057 0.000 0.970 166 R CB -0.213 30.084 30.300 -0.005 0.000 0.864 166 R HN 0.320 nan 8.270 nan 0.000 0.440 167 E N 0.800 121.067 120.200 0.112 0.000 2.110 167 E HA -0.220 4.127 4.350 -0.005 0.000 0.193 167 E C 1.950 178.589 176.600 0.065 0.000 0.988 167 E CA 1.334 57.777 56.400 0.072 0.000 0.804 167 E CB -0.073 29.669 29.700 0.070 0.000 0.745 167 E HN 0.553 nan 8.360 nan 0.000 0.458 168 Q N 0.239 120.106 119.800 0.112 0.000 2.123 168 Q HA -0.071 4.266 4.340 -0.005 0.000 0.199 168 Q C 2.182 178.291 176.000 0.182 0.000 0.966 168 Q CA 0.902 56.762 55.803 0.095 0.000 0.845 168 Q CB -0.044 28.728 28.738 0.057 0.000 0.907 168 Q HN 0.102 nan 8.270 nan 0.000 0.439 169 K N 1.229 121.802 120.400 0.287 0.000 2.103 169 K HA -0.194 4.124 4.320 -0.005 0.000 0.207 169 K C 1.781 178.429 176.600 0.081 0.000 1.048 169 K CA 1.261 57.676 56.287 0.214 0.000 0.930 169 K CB 0.139 32.557 32.500 -0.136 0.000 0.716 169 K HN 0.035 nan 8.250 nan 0.000 0.444 170 K N 0.293 120.722 120.400 0.048 0.000 2.057 170 K HA -0.113 4.204 4.320 -0.005 0.000 0.207 170 K C 2.110 178.746 176.600 0.061 0.000 1.049 170 K CA 1.542 57.845 56.287 0.027 0.000 0.931 170 K CB -0.128 32.378 32.500 0.010 0.000 0.714 170 K HN 0.160 nan 8.250 nan 0.000 0.440 171 I N 1.126 121.744 120.570 0.079 0.000 2.142 171 I HA -0.301 3.867 4.170 -0.005 0.000 0.240 171 I C 2.217 178.455 176.117 0.202 0.000 1.078 171 I CA 1.228 62.609 61.300 0.134 0.000 1.343 171 I CB -0.313 37.715 38.000 0.047 0.000 1.046 171 I HN 0.084 nan 8.210 nan 0.000 0.405 172 L N 0.585 121.892 121.223 0.139 0.000 2.012 172 L HA -0.252 4.085 4.340 -0.005 0.000 0.210 172 L C 2.861 179.831 176.870 0.165 0.000 1.073 172 L CA 1.566 56.508 54.840 0.170 0.000 0.748 172 L CB -0.794 41.388 42.059 0.206 0.000 0.891 172 L HN 0.273 nan 8.230 nan 0.000 0.431 173 A N -0.051 122.836 122.820 0.111 0.000 1.883 173 A HA -0.279 4.038 4.320 -0.005 0.000 0.217 173 A C 2.408 180.014 177.584 0.038 0.000 1.186 173 A CA 2.126 54.197 52.037 0.056 0.000 0.624 173 A CB -0.552 18.454 19.000 0.010 0.000 0.822 173 A HN 0.368 nan 8.150 nan 0.000 0.444 174 K N -1.561 118.862 120.400 0.038 0.000 2.020 174 K HA -0.225 4.092 4.320 -0.005 0.000 0.212 174 K C 1.853 178.374 176.600 -0.132 0.000 1.050 174 K CA 2.137 58.389 56.287 -0.058 0.000 0.929 174 K CB -0.390 32.062 32.500 -0.080 0.000 0.714 174 K HN 0.536 nan 8.250 nan 0.000 0.443 175 Y N 0.348 120.637 120.300 -0.017 0.000 2.314 175 Y HA -0.134 4.414 4.550 -0.004 0.000 0.293 175 Y C 2.059 177.923 175.900 -0.060 0.000 1.129 175 Y CA 0.631 58.710 58.100 -0.035 0.000 1.201 175 Y CB -0.158 38.298 38.460 -0.006 0.000 0.999 175 Y HN 0.110 nan 8.280 nan 0.000 0.541 176 L N -0.527 120.764 121.223 0.113 0.000 2.056 176 L HA -0.159 4.179 4.340 -0.005 0.000 0.207 176 L C 2.132 178.994 176.870 -0.014 0.000 1.078 176 L CA 1.406 56.275 54.840 0.048 0.000 0.749 176 L CB -0.943 41.159 42.059 0.072 0.000 0.901 176 L HN 0.232 nan 8.230 nan 0.000 0.433 177 L N -0.477 120.731 121.223 -0.024 0.000 2.027 177 L HA -0.178 4.159 4.340 -0.005 0.000 0.206 177 L C 2.439 179.261 176.870 -0.080 0.000 1.074 177 L CA 1.724 56.537 54.840 -0.046 0.000 0.745 177 L CB -0.659 41.373 42.059 -0.044 0.000 0.898 177 L HN 0.354 nan 8.230 nan 0.000 0.433 178 E N -1.123 119.001 120.200 -0.125 0.000 2.085 178 E HA -0.225 4.122 4.350 -0.005 0.000 0.194 178 E C 1.874 178.331 176.600 -0.237 0.000 0.994 178 E CA 1.927 58.232 56.400 -0.159 0.000 0.801 178 E CB -0.127 29.438 29.700 -0.226 0.000 0.743 178 E HN 0.710 nan 8.360 nan 0.000 0.453 179 T N -2.449 111.892 114.554 -0.356 0.000 3.067 179 T HA 0.030 4.378 4.350 -0.005 0.000 0.257 179 T C 1.778 176.310 174.700 -0.280 0.000 1.105 179 T CA 0.939 62.607 62.100 -0.721 0.000 1.104 179 T CB 0.290 68.713 68.868 -0.742 0.000 0.925 179 T HN 0.116 nan 8.240 nan 0.000 0.498 180 S N -0.693 114.937 115.700 -0.116 0.000 2.653 180 S HA 0.520 4.987 4.470 -0.005 0.000 0.259 180 S C 1.803 176.399 174.600 -0.007 0.000 1.076 180 S CA 0.603 58.787 58.200 -0.027 0.000 1.051 180 S CB 0.063 63.255 63.200 -0.013 0.000 0.994 180 S HN 1.214 nan 8.310 nan 0.000 0.552 181 G N 1.870 110.659 108.800 -0.019 0.000 2.175 181 G HA2 -0.205 3.753 3.960 -0.005 0.000 0.244 181 G HA3 -0.205 3.753 3.960 -0.005 0.000 0.244 181 G C -0.197 174.698 174.900 -0.008 0.000 0.982 181 G CA 0.361 45.456 45.100 -0.008 0.000 0.641 181 G HN 1.203 nan 8.290 nan 0.000 0.527 182 N N -2.382 116.313 118.700 -0.008 0.000 3.106 182 N HA 0.641 5.378 4.740 -0.005 0.000 0.253 182 N C -0.169 175.342 175.510 0.001 0.000 1.506 182 N CA -1.075 51.972 53.050 -0.004 0.000 0.876 182 N CB 0.198 38.685 38.487 0.000 0.000 1.452 182 N HN 0.006 nan 8.380 nan 0.000 0.542 183 L N 0.012 121.237 121.223 0.004 0.000 2.910 183 L HA 0.421 4.758 4.340 -0.005 0.000 0.252 183 L C -0.765 176.120 176.870 0.025 0.000 1.195 183 L CA -0.293 54.554 54.840 0.012 0.000 1.003 183 L CB -1.269 40.788 42.059 -0.005 0.000 1.328 183 L HN 0.597 nan 8.230 nan 0.000 0.540 184 D N 0.974 121.389 120.400 0.025 0.000 2.487 184 D HA 0.360 4.997 4.640 -0.005 0.000 0.243 184 D C 1.490 177.828 176.300 0.063 0.000 1.154 184 D CA 1.368 55.390 54.000 0.035 0.000 0.876 184 D CB 0.668 41.481 40.800 0.023 0.000 1.161 184 D HN 0.368 nan 8.370 nan 0.000 0.478 185 G N 1.916 110.775 108.800 0.099 0.000 2.179 185 G HA2 -0.343 3.614 3.960 -0.005 0.000 0.260 185 G HA3 -0.343 3.614 3.960 -0.005 0.000 0.260 185 G C 1.038 176.058 174.900 0.200 0.000 0.977 185 G CA 0.420 45.623 45.100 0.172 0.000 0.641 185 G HN 0.518 nan 8.290 nan 0.000 0.533 186 L N 0.892 122.192 121.223 0.129 0.000 2.081 186 L HA 0.070 4.407 4.340 -0.005 0.000 0.212 186 L C 2.224 179.195 176.870 0.167 0.000 1.080 186 L CA 2.995 57.913 54.840 0.129 0.000 0.754 186 L CB -0.395 41.687 42.059 0.039 0.000 0.893 186 L HN 0.498 nan 8.230 nan 0.000 0.433 187 E N -1.957 118.268 120.200 0.041 0.000 2.478 187 E HA -0.146 4.201 4.350 -0.005 0.000 0.198 187 E C 0.662 177.195 176.600 -0.112 0.000 1.046 187 E CA 0.545 56.873 56.400 -0.120 0.000 0.870 187 E CB 0.007 29.519 29.700 -0.313 0.000 0.818 187 E HN 0.639 nan 8.360 nan 0.000 0.527 188 Y N -0.734 119.718 120.300 0.252 0.000 2.584 188 Y HA 0.171 4.718 4.550 -0.005 0.000 0.254 188 Y C 1.585 177.597 175.900 0.187 0.000 1.177 188 Y CA -0.289 57.938 58.100 0.213 0.000 1.216 188 Y CB 0.725 39.265 38.460 0.133 0.000 1.172 188 Y HN -0.190 nan 8.280 nan 0.000 0.529 189 K N 0.239 120.830 120.400 0.319 0.000 2.400 189 K HA 0.143 4.460 4.320 -0.005 0.000 0.194 189 K C -0.314 176.342 176.600 0.094 0.000 1.033 189 K CA 0.393 56.813 56.287 0.222 0.000 1.021 189 K CB 0.451 33.122 32.500 0.286 0.000 0.808 189 K HN 0.137 nan 8.250 nan 0.000 0.505 190 L N 0.677 121.781 121.223 -0.199 0.000 2.415 190 L HA 0.292 4.629 4.340 -0.005 0.000 0.268 190 L C -1.469 175.245 176.870 -0.259 0.000 0.984 190 L CA -0.665 53.925 54.840 -0.415 0.000 0.853 190 L CB 1.220 42.709 42.059 -0.950 0.000 1.215 190 L HN 0.002 nan 8.230 nan 0.000 0.419 191 H N 2.588 121.524 119.070 -0.224 0.000 2.467 191 H HA 0.352 4.905 4.556 -0.005 0.000 0.326 191 H C -0.751 174.460 175.328 -0.196 0.000 1.094 191 H CA -0.366 55.626 56.048 -0.093 0.000 1.253 191 H CB 1.154 30.887 29.762 -0.049 0.000 1.439 191 H HN 0.649 nan 8.280 nan 0.000 0.479 192 D N 4.598 124.939 120.400 -0.099 0.000 2.346 192 D HA -0.055 4.582 4.640 -0.005 0.000 0.260 192 D C -0.232 176.293 176.300 0.375 0.000 1.252 192 D CA 0.389 54.346 54.000 -0.071 0.000 0.895 192 D CB -0.023 40.707 40.800 -0.117 0.000 1.097 192 D HN 0.613 nan 8.370 nan 0.000 0.489 193 F N 1.523 121.491 119.950 0.031 0.000 2.639 193 F HA 0.233 4.757 4.527 -0.005 0.000 0.302 193 F C 2.028 177.870 175.800 0.069 0.000 1.097 193 F CA -0.635 57.411 58.000 0.077 0.000 1.294 193 F CB 1.196 40.228 39.000 0.053 0.000 1.027 193 F HN 0.508 nan 8.300 nan 0.000 0.550 194 G N -0.960 107.967 108.800 0.211 0.000 3.141 194 G HA2 -0.164 3.793 3.960 -0.005 0.000 0.218 194 G HA3 -0.164 3.793 3.960 -0.005 0.000 0.218 194 G C 1.089 176.105 174.900 0.193 0.000 1.170 194 G CA -0.018 45.178 45.100 0.159 0.000 0.769 194 G HN 0.252 nan 8.290 nan 0.000 0.546 195 Y N 2.822 123.154 120.300 0.054 0.000 2.114 195 Y HA -0.246 4.300 4.550 -0.005 0.000 0.282 195 Y C 2.795 178.711 175.900 0.026 0.000 1.165 195 Y CA 1.806 59.926 58.100 0.034 0.000 1.148 195 Y CB -0.154 38.319 38.460 0.023 0.000 0.972 195 Y HN 0.432 nan 8.280 nan 0.000 0.504 196 R N -1.008 119.584 120.500 0.154 0.000 2.193 196 R HA 0.063 4.401 4.340 -0.005 0.000 0.213 196 R C 1.936 178.275 176.300 0.065 0.000 1.055 196 R CA 1.286 57.410 56.100 0.039 0.000 0.995 196 R CB -0.872 29.427 30.300 -0.002 0.000 0.893 196 R HN 0.310 nan 8.270 nan 0.000 0.459 197 G N 1.884 110.742 108.800 0.098 0.000 3.189 197 G HA2 0.216 4.174 3.960 -0.005 0.000 0.225 197 G HA3 0.216 4.174 3.960 -0.005 0.000 0.225 197 G C 0.492 175.443 174.900 0.085 0.000 1.159 197 G CA 0.178 45.328 45.100 0.083 0.000 0.763 197 G HN 0.205 nan 8.290 nan 0.000 0.549 198 V N -1.974 118.000 119.914 0.100 0.000 3.336 198 V HA 0.653 4.771 4.120 -0.005 0.000 0.314 198 V C 1.316 177.440 176.094 0.050 0.000 1.088 198 V CA 0.261 62.607 62.300 0.076 0.000 1.033 198 V CB 1.315 33.190 31.823 0.086 0.000 1.181 198 V HN 0.108 nan 8.190 nan 0.000 0.449 199 S N -0.502 115.205 115.700 0.012 0.000 2.524 199 S HA 0.300 4.767 4.470 -0.005 0.000 0.216 199 S C 0.700 175.306 174.600 0.010 0.000 0.987 199 S CA 0.351 58.553 58.200 0.004 0.000 0.909 199 S CB -0.660 62.529 63.200 -0.018 0.000 0.781 199 S HN 1.848 nan 8.310 nan 0.000 0.521 200 S N -0.880 114.834 115.700 0.024 0.000 2.615 200 S HA 0.366 4.834 4.470 -0.005 0.000 0.268 200 S C -0.007 174.648 174.600 0.091 0.000 1.146 200 S CA -0.830 57.397 58.200 0.044 0.000 0.818 200 S CB 0.779 63.993 63.200 0.024 0.000 1.111 200 S HN -0.096 nan 8.310 nan 0.000 0.465 201 Q N 1.026 120.893 119.800 0.112 0.000 2.096 201 Q HA -0.139 4.198 4.340 -0.005 0.000 0.204 201 Q C 1.800 177.861 176.000 0.102 0.000 0.982 201 Q CA 2.178 58.081 55.803 0.167 0.000 0.850 201 Q CB -0.505 28.320 28.738 0.145 0.000 0.901 201 Q HN 0.913 nan 8.270 nan 0.000 0.422 202 E N -0.099 120.145 120.200 0.072 0.000 2.051 202 E HA -0.141 4.206 4.350 -0.005 0.000 0.192 202 E C 1.798 178.398 176.600 -0.000 0.000 0.991 202 E CA 1.470 57.904 56.400 0.055 0.000 0.799 202 E CB 0.203 29.961 29.700 0.096 0.000 0.748 202 E HN 0.254 nan 8.360 nan 0.000 0.449 203 T N 0.795 115.337 114.554 -0.020 0.000 2.684 203 T HA -0.210 4.137 4.350 -0.005 0.000 0.267 203 T C 1.830 176.540 174.700 0.018 0.000 1.036 203 T CA 1.461 63.517 62.100 -0.072 0.000 1.148 203 T CB -0.420 68.335 68.868 -0.189 0.000 0.863 203 T HN 0.364 nan 8.240 nan 0.000 0.436 204 A N 1.425 124.255 122.820 0.018 0.000 1.884 204 A HA -0.052 4.265 4.320 -0.005 0.000 0.219 204 A C 2.628 180.124 177.584 -0.146 0.000 1.197 204 A CA 2.265 54.271 52.037 -0.052 0.000 0.637 204 A CB -1.519 17.443 19.000 -0.063 0.000 0.827 204 A HN 0.536 nan 8.150 nan 0.000 0.450 205 G N -0.287 108.430 108.800 -0.139 0.000 2.421 205 G HA2 -0.190 3.767 3.960 -0.005 0.000 0.216 205 G HA3 -0.190 3.767 3.960 -0.005 0.000 0.216 205 G C 1.547 176.353 174.900 -0.157 0.000 1.171 205 G CA 1.177 46.184 45.100 -0.155 0.000 0.775 205 G HN 0.499 nan 8.290 nan 0.000 0.543 206 I N 1.222 121.690 120.570 -0.170 0.000 2.179 206 I HA -0.089 4.078 4.170 -0.005 0.000 0.242 206 I C 3.075 179.153 176.117 -0.065 0.000 1.088 206 I CA 1.233 62.410 61.300 -0.205 0.000 1.357 206 I CB -0.470 37.422 38.000 -0.180 0.000 1.051 206 I HN 0.246 nan 8.210 nan 0.000 0.409 207 G N 0.170 109.007 108.800 0.061 0.000 2.394 207 G HA2 -0.168 3.790 3.960 -0.005 0.000 0.214 207 G HA3 -0.168 3.790 3.960 -0.005 0.000 0.214 207 G C 1.872 176.745 174.900 -0.045 0.000 1.176 207 G CA 0.706 45.781 45.100 -0.041 0.000 0.786 207 G HN 0.477 nan 8.290 nan 0.000 0.533 208 A N 1.360 124.154 122.820 -0.044 0.000 1.940 208 A HA -0.085 4.233 4.320 -0.005 0.000 0.219 208 A C 2.738 180.301 177.584 -0.036 0.000 1.176 208 A CA 2.712 54.721 52.037 -0.047 0.000 0.631 208 A CB -0.764 18.160 19.000 -0.128 0.000 0.814 208 A HN 0.775 nan 8.150 nan 0.000 0.446 209 S N 0.080 115.741 115.700 -0.064 0.000 2.383 209 S HA 0.045 4.512 4.470 -0.005 0.000 0.227 209 S C 2.089 176.671 174.600 -0.030 0.000 1.026 209 S CA 1.355 59.512 58.200 -0.073 0.000 0.981 209 S CB -0.651 62.529 63.200 -0.034 0.000 0.818 209 S HN 0.927 nan 8.310 nan 0.000 0.472 210 A N 1.483 124.308 122.820 0.008 0.000 1.930 210 A HA -0.081 4.236 4.320 -0.005 0.000 0.217 210 A C 2.101 179.621 177.584 -0.106 0.000 1.175 210 A CA 1.810 53.776 52.037 -0.117 0.000 0.627 210 A CB -1.334 17.650 19.000 -0.027 0.000 0.815 210 A HN 0.795 nan 8.150 nan 0.000 0.443 211 H N -0.058 118.953 119.070 -0.098 0.000 2.423 211 H HA 0.067 4.621 4.556 -0.004 0.000 0.297 211 H C 1.518 176.856 175.328 0.017 0.000 1.075 211 H CA 1.605 57.636 56.048 -0.027 0.000 1.342 211 H CB -0.286 29.455 29.762 -0.034 0.000 1.395 211 H HN 0.360 nan 8.280 nan 0.000 0.530 212 L N -0.221 120.954 121.223 -0.079 0.000 2.465 212 L HA -0.080 4.258 4.340 -0.005 0.000 0.224 212 L C 2.109 178.969 176.870 -0.018 0.000 1.145 212 L CA 0.214 55.022 54.840 -0.053 0.000 0.834 212 L CB -0.106 41.964 42.059 0.017 0.000 0.944 212 L HN 0.217 nan 8.230 nan 0.000 0.451 213 V N 0.284 120.074 119.914 -0.206 0.000 2.469 213 V HA -0.266 3.851 4.120 -0.005 0.000 0.251 213 V C 1.848 177.687 176.094 -0.426 0.000 1.064 213 V CA 1.793 63.768 62.300 -0.542 0.000 1.066 213 V CB -0.457 30.975 31.823 -0.651 0.000 0.667 213 V HN 0.614 nan 8.190 nan 0.000 0.461 214 N N -2.213 116.266 118.700 -0.368 0.000 2.397 214 N HA 0.204 4.941 4.740 -0.005 0.000 0.190 214 N C 0.148 175.195 175.510 -0.773 0.000 1.099 214 N CA 0.331 53.078 53.050 -0.505 0.000 0.876 214 N CB 0.807 39.050 38.487 -0.407 0.000 1.143 214 N HN 0.413 nan 8.380 nan 0.000 0.468 215 F N 0.173 119.852 119.950 -0.451 0.000 2.664 215 F HA 0.430 4.954 4.527 -0.005 0.000 0.329 215 F C 1.228 176.786 175.800 -0.404 0.000 1.090 215 F CA -0.788 56.938 58.000 -0.457 0.000 0.978 215 F CB 2.074 40.729 39.000 -0.575 0.000 1.378 215 F HN -0.429 nan 8.300 nan 0.000 0.495 216 K N -0.095 120.171 120.400 -0.225 0.000 2.402 216 K HA 0.257 4.575 4.320 -0.005 0.000 0.203 216 K C 0.294 176.866 176.600 -0.046 0.000 1.077 216 K CA -0.073 56.084 56.287 -0.216 0.000 1.051 216 K CB 1.188 33.455 32.500 -0.388 0.000 0.907 216 K HN 0.682 nan 8.250 nan 0.000 0.554 217 G N 0.761 109.525 108.800 -0.061 0.000 2.319 217 G HA2 0.344 4.301 3.960 -0.005 0.000 0.308 217 G HA3 0.344 4.301 3.960 -0.005 0.000 0.308 217 G C -0.927 173.644 174.900 -0.548 0.000 1.117 217 G CA 0.022 45.063 45.100 -0.098 0.000 0.903 217 G HN -0.083 nan 8.290 nan 0.000 0.436 218 T N 0.965 115.163 114.554 -0.592 0.000 2.982 218 T HA 0.348 4.695 4.350 -0.005 0.000 0.321 218 T C -0.640 174.066 174.700 0.010 0.000 1.229 218 T CA -0.521 61.381 62.100 -0.331 0.000 1.044 218 T CB 1.849 70.663 68.868 -0.090 0.000 1.184 218 T HN 0.269 nan 8.240 nan 0.000 0.477 219 D N 1.536 122.059 120.400 0.205 0.000 2.369 219 D HA 0.204 4.842 4.640 -0.005 0.000 0.211 219 D C 0.386 176.773 176.300 0.144 0.000 1.077 219 D CA 0.348 54.486 54.000 0.231 0.000 0.842 219 D CB 0.594 41.535 40.800 0.236 0.000 0.947 219 D HN 0.477 nan 8.370 nan 0.000 0.509 220 T N 0.892 115.469 114.554 0.038 0.000 3.414 220 T HA 0.099 4.446 4.350 -0.005 0.000 0.304 220 T C 1.707 176.252 174.700 -0.257 0.000 1.241 220 T CA -0.179 61.813 62.100 -0.179 0.000 1.076 220 T CB 0.974 69.694 68.868 -0.246 0.000 1.134 220 T HN -0.179 nan 8.240 nan 0.000 0.759 221 V N 2.300 122.141 119.914 -0.121 0.000 2.469 221 V HA -0.258 3.859 4.120 -0.005 0.000 0.251 221 V C 2.765 178.778 176.094 -0.136 0.000 1.064 221 V CA 2.137 64.405 62.300 -0.053 0.000 1.066 221 V CB -0.994 30.883 31.823 0.090 0.000 0.667 221 V HN 0.918 nan 8.190 nan 0.000 0.461 222 A N 0.601 123.241 122.820 -0.300 0.000 1.997 222 A HA -0.204 4.113 4.320 -0.005 0.000 0.221 222 A C 2.388 179.862 177.584 -0.183 0.000 1.172 222 A CA 2.060 53.955 52.037 -0.236 0.000 0.645 222 A CB -1.098 17.679 19.000 -0.372 0.000 0.813 222 A HN 0.571 nan 8.150 nan 0.000 0.454 223 G N -0.722 107.948 108.800 -0.217 0.000 2.422 223 G HA2 -0.014 3.943 3.960 -0.005 0.000 0.218 223 G HA3 -0.014 3.943 3.960 -0.005 0.000 0.218 223 G C 1.294 176.093 174.900 -0.169 0.000 1.140 223 G CA 0.992 45.987 45.100 -0.176 0.000 0.775 223 G HN 0.349 nan 8.290 nan 0.000 0.545 224 L N 1.523 122.654 121.223 -0.154 0.000 1.970 224 L HA 0.025 4.362 4.340 -0.005 0.000 0.212 224 L C 3.268 180.069 176.870 -0.115 0.000 1.071 224 L CA 1.844 56.593 54.840 -0.153 0.000 0.751 224 L CB -1.261 40.722 42.059 -0.125 0.000 0.889 224 L HN 0.281 nan 8.230 nan 0.000 0.432 225 A N -1.051 121.727 122.820 -0.071 0.000 1.933 225 A HA -0.191 4.126 4.320 -0.005 0.000 0.218 225 A C 2.392 179.975 177.584 -0.003 0.000 1.175 225 A CA 1.698 53.712 52.037 -0.038 0.000 0.628 225 A CB -0.832 18.160 19.000 -0.015 0.000 0.814 225 A HN 0.414 nan 8.150 nan 0.000 0.444 226 L N -0.415 120.825 121.223 0.028 0.000 1.989 226 L HA -0.189 4.149 4.340 -0.005 0.000 0.211 226 L C 2.405 179.392 176.870 0.195 0.000 1.071 226 L CA 1.836 56.776 54.840 0.167 0.000 0.749 226 L CB -0.270 41.823 42.059 0.058 0.000 0.890 226 L HN 0.436 nan 8.230 nan 0.000 0.431 227 I N -0.099 120.473 120.570 0.003 0.000 2.179 227 I HA -0.357 3.810 4.170 -0.005 0.000 0.242 227 I C 2.628 178.748 176.117 0.004 0.000 1.088 227 I CA 1.688 62.948 61.300 -0.065 0.000 1.357 227 I CB -0.344 37.319 38.000 -0.560 0.000 1.051 227 I HN 0.300 nan 8.210 nan 0.000 0.409 228 K N 1.451 121.817 120.400 -0.057 0.000 2.032 228 K HA -0.272 4.045 4.320 -0.005 0.000 0.209 228 K C 2.233 178.784 176.600 -0.081 0.000 1.048 228 K CA 1.850 58.103 56.287 -0.056 0.000 0.927 228 K CB -0.077 32.381 32.500 -0.069 0.000 0.712 228 K HN 0.091 nan 8.250 nan 0.000 0.441 229 K N -0.919 119.396 120.400 -0.142 0.000 2.057 229 K HA -0.139 4.179 4.320 -0.005 0.000 0.206 229 K C 1.419 177.712 176.600 -0.511 0.000 1.050 229 K CA 1.517 57.580 56.287 -0.373 0.000 0.935 229 K CB 0.000 32.163 32.500 -0.563 0.000 0.715 229 K HN 0.249 nan 8.250 nan 0.000 0.439 230 Y N -2.206 118.059 120.300 -0.058 0.000 2.481 230 Y HA 0.113 4.660 4.550 -0.004 0.000 0.258 230 Y C 0.847 176.488 175.900 -0.433 0.000 1.103 230 Y CA 0.080 58.039 58.100 -0.235 0.000 1.287 230 Y CB 0.641 38.973 38.460 -0.215 0.000 1.108 230 Y HN 0.037 nan 8.280 nan 0.000 0.529 231 Y N -1.176 119.222 120.300 0.164 0.000 2.912 231 Y HA 0.497 5.044 4.550 -0.005 0.000 0.250 231 Y C 1.166 177.151 175.900 0.142 0.000 1.073 231 Y CA 0.149 58.372 58.100 0.206 0.000 1.275 231 Y CB 0.527 39.194 38.460 0.346 0.000 1.470 231 Y HN -0.159 nan 8.280 nan 0.000 0.447 232 G N 0.936 109.878 108.800 0.236 0.000 2.777 232 G HA2 0.074 4.031 3.960 -0.005 0.000 0.686 232 G HA3 0.074 4.031 3.960 -0.005 0.000 0.686 232 G C -0.678 174.328 174.900 0.176 0.000 1.177 232 G CA -0.151 45.030 45.100 0.135 0.000 0.775 232 G HN 0.316 nan 8.290 nan 0.000 0.613 233 T N 0.496 115.116 114.554 0.109 0.000 2.906 233 T HA 0.619 4.966 4.350 -0.005 0.000 0.295 233 T C 1.420 176.169 174.700 0.082 0.000 1.061 233 T CA 0.232 62.406 62.100 0.124 0.000 1.000 233 T CB 1.697 70.638 68.868 0.122 0.000 1.103 233 T HN 0.768 nan 8.240 nan 0.000 0.486 234 K N 1.360 121.810 120.400 0.083 0.000 2.026 234 K HA -0.047 4.270 4.320 -0.005 0.000 0.208 234 K C 0.161 176.799 176.600 0.062 0.000 1.048 234 K CA 1.154 57.480 56.287 0.064 0.000 0.929 234 K CB -0.044 32.493 32.500 0.062 0.000 0.713 234 K HN 0.631 nan 8.250 nan 0.000 0.439 235 D N 0.256 120.702 120.400 0.076 0.000 2.382 235 D HA -0.005 4.633 4.640 -0.005 0.000 0.240 235 D C -1.747 174.587 176.300 0.056 0.000 1.146 235 D CA -1.342 52.709 54.000 0.085 0.000 0.897 235 D CB 0.870 41.747 40.800 0.129 0.000 1.197 235 D HN 0.003 nan 8.370 nan 0.000 0.432 236 P HA -0.136 nan 4.420 nan 0.000 0.216 236 P C 0.180 177.470 177.300 -0.016 0.000 1.153 236 P CA 1.209 64.325 63.100 0.027 0.000 0.858 236 P CB 0.275 32.003 31.700 0.047 0.000 0.789 237 V N -6.599 113.286 119.914 -0.049 0.000 2.925 237 V HA 0.491 4.608 4.120 -0.005 0.000 0.311 237 V C -2.229 173.725 176.094 -0.234 0.000 1.104 237 V CA -2.090 60.110 62.300 -0.168 0.000 0.954 237 V CB 1.881 33.550 31.823 -0.256 0.000 1.022 237 V HN -0.218 nan 8.190 nan 0.000 0.427 238 P HA 0.274 nan 4.420 nan 0.000 0.240 238 P C 0.579 177.720 177.300 -0.265 0.000 1.190 238 P CA 0.983 63.971 63.100 -0.186 0.000 0.781 238 P CB 0.551 32.100 31.700 -0.251 0.000 0.931 239 G N -1.279 107.232 108.800 -0.481 0.000 2.690 239 G HA2 0.599 4.556 3.960 -0.005 0.000 0.293 239 G HA3 0.599 4.556 3.960 -0.005 0.000 0.293 239 G C -2.109 172.430 174.900 -0.602 0.000 1.399 239 G CA -0.452 44.396 45.100 -0.419 0.000 0.890 239 G HN -0.112 nan 8.290 nan 0.000 0.485 240 Y N -0.616 119.748 120.300 0.106 0.000 2.576 240 Y HA 0.808 5.355 4.550 -0.005 0.000 0.346 240 Y C 0.479 176.497 175.900 0.197 0.000 1.018 240 Y CA -0.766 57.429 58.100 0.157 0.000 1.050 240 Y CB 2.759 41.359 38.460 0.233 0.000 1.280 240 Y HN 0.691 nan 8.280 nan 0.000 0.474 241 S N 0.351 116.258 115.700 0.345 0.000 2.685 241 S HA 0.874 5.342 4.470 -0.005 0.000 0.282 241 S C -1.580 173.125 174.600 0.174 0.000 1.159 241 S CA -0.551 57.837 58.200 0.313 0.000 0.833 241 S CB 1.385 64.728 63.200 0.238 0.000 1.151 241 S HN 0.822 nan 8.310 nan 0.000 0.485 242 V N 0.012 119.973 119.914 0.079 0.000 3.040 242 V HA 0.807 4.925 4.120 -0.005 0.000 0.312 242 V C -2.985 173.020 176.094 -0.149 0.000 1.115 242 V CA -2.430 59.846 62.300 -0.041 0.000 0.998 242 V CB 0.601 32.382 31.823 -0.069 0.000 1.042 242 V HN 0.709 nan 8.190 nan 0.000 0.433 243 P HA 0.564 nan 4.420 nan 0.000 0.266 243 P C -0.559 176.496 177.300 -0.409 0.000 1.195 243 P CA 0.502 63.274 63.100 -0.545 0.000 0.768 243 P CB 0.687 31.638 31.700 -1.248 0.000 0.838 244 A N 1.835 124.455 122.820 -0.334 0.000 2.574 244 A HA 0.714 5.031 4.320 -0.005 0.000 0.297 244 A C -0.799 176.683 177.584 -0.169 0.000 1.062 244 A CA -0.496 51.401 52.037 -0.233 0.000 0.686 244 A CB 1.354 20.227 19.000 -0.213 0.000 1.285 244 A HN 0.543 nan 8.150 nan 0.000 0.403 245 A N 0.844 123.594 122.820 -0.117 0.000 2.287 245 A HA 0.731 5.049 4.320 -0.005 0.000 0.273 245 A C 0.213 177.728 177.584 -0.115 0.000 1.091 245 A CA 0.290 52.294 52.037 -0.055 0.000 0.817 245 A CB 0.236 19.242 19.000 0.010 0.000 1.069 245 A HN 1.116 nan 8.150 nan 0.000 0.492 246 E N -1.009 119.139 120.200 -0.087 0.000 2.404 246 E HA 0.468 4.815 4.350 -0.005 0.000 0.264 246 E C -0.203 176.317 176.600 -0.133 0.000 0.946 246 E CA -0.706 55.605 56.400 -0.149 0.000 0.806 246 E CB 0.535 30.190 29.700 -0.075 0.000 1.334 246 E HN 0.622 nan 8.360 nan 0.000 0.429 247 H N 0.005 119.080 119.070 0.009 0.000 2.387 247 H HA -0.140 4.413 4.556 -0.004 0.000 0.299 247 H C 2.247 177.601 175.328 0.045 0.000 1.090 247 H CA 2.444 58.498 56.048 0.010 0.000 1.332 247 H CB 0.095 29.840 29.762 -0.028 0.000 1.386 247 H HN 0.608 nan 8.280 nan 0.000 0.516 248 S N 0.093 115.879 115.700 0.143 0.000 2.383 248 S HA -0.217 4.251 4.470 -0.005 0.000 0.229 248 S C 2.229 176.917 174.600 0.147 0.000 1.030 248 S CA 1.643 59.913 58.200 0.117 0.000 1.002 248 S CB -0.811 62.433 63.200 0.074 0.000 0.829 248 S HN 0.630 nan 8.310 nan 0.000 0.467 249 T N -0.781 113.869 114.554 0.160 0.000 3.085 249 T HA 0.233 4.580 4.350 -0.005 0.000 0.263 249 T C 1.648 176.589 174.700 0.403 0.000 1.127 249 T CA 0.370 62.623 62.100 0.254 0.000 1.103 249 T CB -0.324 68.684 68.868 0.232 0.000 0.921 249 T HN 0.337 nan 8.240 nan 0.000 0.510 250 I N 2.769 123.519 120.570 0.300 0.000 2.512 250 I HA 0.019 4.186 4.170 -0.005 0.000 0.247 250 I C 2.972 179.308 176.117 0.365 0.000 1.094 250 I CA 1.666 63.150 61.300 0.306 0.000 1.427 250 I CB -1.737 36.390 38.000 0.212 0.000 1.149 250 I HN 0.457 nan 8.210 nan 0.000 0.438 251 T N 0.145 114.858 114.554 0.266 0.000 2.915 251 T HA -0.015 4.332 4.350 -0.005 0.000 0.269 251 T C 1.992 176.851 174.700 0.266 0.000 1.071 251 T CA 1.042 63.306 62.100 0.273 0.000 1.132 251 T CB -0.514 68.460 68.868 0.176 0.000 0.878 251 T HN 0.239 nan 8.240 nan 0.000 0.479 252 A N 0.575 123.528 122.820 0.222 0.000 2.076 252 A HA -0.010 4.307 4.320 -0.005 0.000 0.220 252 A C 1.855 179.455 177.584 0.027 0.000 1.160 252 A CA 1.100 53.186 52.037 0.082 0.000 0.653 252 A CB -1.269 17.721 19.000 -0.016 0.000 0.801 252 A HN 0.775 nan 8.150 nan 0.000 0.455 253 W N -0.740 120.591 121.300 0.052 0.000 2.800 253 W HA 0.375 5.032 4.660 -0.005 0.000 0.249 253 W C 1.293 177.855 176.519 0.070 0.000 1.294 253 W CA 1.191 58.552 57.345 0.026 0.000 1.402 253 W CB -0.312 29.174 29.460 0.044 0.000 1.126 253 W HN 0.654 nan 8.180 nan 0.000 0.652 254 G N 0.344 109.321 108.800 0.296 0.000 2.788 254 G HA2 -0.269 3.688 3.960 -0.005 0.000 0.686 254 G HA3 -0.269 3.688 3.960 -0.005 0.000 0.686 254 G C 0.443 175.451 174.900 0.180 0.000 1.147 254 G CA -0.202 45.038 45.100 0.234 0.000 0.755 254 G HN 0.122 nan 8.290 nan 0.000 0.634 255 K N -0.093 120.303 120.400 -0.008 0.000 2.160 255 K HA -0.146 4.171 4.320 -0.005 0.000 0.206 255 K C 1.516 177.864 176.600 -0.420 0.000 1.047 255 K CA 2.028 58.059 56.287 -0.426 0.000 0.930 255 K CB -0.059 32.076 32.500 -0.608 0.000 0.720 255 K HN 0.481 nan 8.250 nan 0.000 0.450 256 D N -0.411 119.816 120.400 -0.290 0.000 2.363 256 D HA -0.061 4.577 4.640 -0.005 0.000 0.220 256 D C 0.430 176.361 176.300 -0.616 0.000 0.994 256 D CA 0.772 54.501 54.000 -0.452 0.000 0.890 256 D CB 0.142 40.648 40.800 -0.491 0.000 0.906 256 D HN 0.386 nan 8.370 nan 0.000 0.530 257 H N -0.324 118.704 119.070 -0.070 0.000 2.475 257 H HA 0.153 4.707 4.556 -0.005 0.000 0.276 257 H C 1.265 176.505 175.328 -0.146 0.000 1.126 257 H CA -0.141 55.879 56.048 -0.047 0.000 1.023 257 H CB 0.661 30.484 29.762 0.101 0.000 1.669 257 H HN 0.253 nan 8.280 nan 0.000 0.573 258 E N 2.024 122.121 120.200 -0.172 0.000 2.070 258 E HA -0.200 4.147 4.350 -0.005 0.000 0.197 258 E C 2.169 178.291 176.600 -0.796 0.000 1.004 258 E CA 1.080 57.227 56.400 -0.422 0.000 0.805 258 E CB 0.285 29.743 29.700 -0.403 0.000 0.744 258 E HN 0.278 nan 8.360 nan 0.000 0.451 259 K N 0.290 120.332 120.400 -0.598 0.000 2.074 259 K HA -0.218 4.099 4.320 -0.005 0.000 0.209 259 K C 1.604 177.998 176.600 -0.343 0.000 1.048 259 K CA 1.960 57.958 56.287 -0.482 0.000 0.926 259 K CB -0.068 32.266 32.500 -0.277 0.000 0.713 259 K HN 0.133 nan 8.250 nan 0.000 0.444 260 D N 0.286 120.515 120.400 -0.285 0.000 2.117 260 D HA -0.138 4.499 4.640 -0.005 0.000 0.197 260 D C 1.795 177.617 176.300 -0.797 0.000 0.987 260 D CA 1.284 55.090 54.000 -0.323 0.000 0.829 260 D CB -0.249 40.496 40.800 -0.091 0.000 0.961 260 D HN 0.356 nan 8.370 nan 0.000 0.460 261 A N 0.951 123.129 122.820 -1.069 0.000 1.865 261 A HA -0.196 4.121 4.320 -0.005 0.000 0.217 261 A C 2.060 179.416 177.584 -0.379 0.000 1.191 261 A CA 1.095 52.309 52.037 -1.371 0.000 0.623 261 A CB -0.960 17.505 19.000 -0.893 0.000 0.826 261 A HN 0.078 nan 8.150 nan 0.000 0.444 262 F N 0.007 119.717 119.950 -0.399 0.000 2.065 262 F HA -0.174 4.350 4.527 -0.005 0.000 0.298 262 F C 2.386 178.134 175.800 -0.088 0.000 1.112 262 F CA 1.386 59.245 58.000 -0.236 0.000 1.212 262 F CB -1.272 37.333 39.000 -0.658 0.000 0.975 262 F HN 0.516 nan 8.300 nan 0.000 0.476 263 E N -0.761 119.469 120.200 0.051 0.000 2.070 263 E HA -0.319 4.028 4.350 -0.005 0.000 0.197 263 E C 2.234 178.872 176.600 0.063 0.000 1.004 263 E CA 1.762 58.193 56.400 0.051 0.000 0.805 263 E CB -0.360 29.346 29.700 0.010 0.000 0.744 263 E HN 0.502 nan 8.360 nan 0.000 0.451 264 H N -0.084 118.927 119.070 -0.098 0.000 2.321 264 H HA -0.096 4.457 4.556 -0.005 0.000 0.300 264 H C 1.962 177.327 175.328 0.062 0.000 1.087 264 H CA 2.314 58.350 56.048 -0.021 0.000 1.319 264 H CB -0.139 29.587 29.762 -0.059 0.000 1.379 264 H HN 0.217 nan 8.280 nan 0.000 0.501 265 I N 0.061 120.715 120.570 0.140 0.000 2.142 265 I HA -0.248 3.920 4.170 -0.005 0.000 0.240 265 I C 2.568 178.790 176.117 0.175 0.000 1.078 265 I CA 1.388 62.807 61.300 0.198 0.000 1.343 265 I CB -0.332 37.835 38.000 0.280 0.000 1.046 265 I HN 0.331 nan 8.210 nan 0.000 0.405 266 V N -2.206 117.802 119.914 0.157 0.000 2.490 266 V HA -0.212 3.906 4.120 -0.005 0.000 0.250 266 V C 2.230 178.351 176.094 0.046 0.000 1.061 266 V CA 2.264 64.636 62.300 0.119 0.000 1.064 266 V CB -1.580 30.319 31.823 0.126 0.000 0.670 266 V HN 0.392 nan 8.190 nan 0.000 0.461 267 T N -0.318 114.231 114.554 -0.008 0.000 2.857 267 T HA -0.118 4.229 4.350 -0.005 0.000 0.266 267 T C 2.019 176.619 174.700 -0.167 0.000 1.048 267 T CA 1.553 63.614 62.100 -0.066 0.000 1.139 267 T CB -0.314 68.521 68.868 -0.054 0.000 0.874 267 T HN 0.482 nan 8.240 nan 0.000 0.455 268 Q N 0.310 119.929 119.800 -0.302 0.000 2.124 268 Q HA 0.016 4.353 4.340 -0.005 0.000 0.202 268 Q C 0.414 175.993 176.000 -0.702 0.000 0.977 268 Q CA 1.127 56.589 55.803 -0.569 0.000 0.850 268 Q CB -0.219 28.051 28.738 -0.781 0.000 0.901 268 Q HN 0.584 nan 8.270 nan 0.000 0.429 269 F N 0.362 120.280 119.950 -0.053 0.000 2.664 269 F HA 0.167 4.691 4.527 -0.004 0.000 0.322 269 F C 1.234 177.009 175.800 -0.042 0.000 1.324 269 F CA -0.380 57.597 58.000 -0.039 0.000 1.154 269 F CB 0.435 39.414 39.000 -0.034 0.000 1.236 269 F HN -0.077 nan 8.300 nan 0.000 0.532 270 S N -1.257 114.463 115.700 0.033 0.000 2.489 270 S HA -0.091 4.377 4.470 -0.005 0.000 0.228 270 S C 1.468 176.080 174.600 0.020 0.000 0.995 270 S CA 0.849 59.059 58.200 0.016 0.000 0.934 270 S CB -0.202 62.990 63.200 -0.014 0.000 0.771 270 S HN 0.376 nan 8.310 nan 0.000 0.522 271 S N 0.226 115.948 115.700 0.035 0.000 2.819 271 S HA 0.490 4.957 4.470 -0.005 0.000 0.249 271 S C 0.130 174.749 174.600 0.031 0.000 1.030 271 S CA -0.020 58.194 58.200 0.023 0.000 1.052 271 S CB 0.019 63.227 63.200 0.014 0.000 1.017 271 S HN 0.717 nan 8.310 nan 0.000 0.576 272 V N -2.620 117.328 119.914 0.057 0.000 3.074 272 V HA 0.793 4.910 4.120 -0.005 0.000 0.314 272 V C -3.337 172.758 176.094 0.002 0.000 1.117 272 V CA -3.119 59.201 62.300 0.034 0.000 1.014 272 V CB 1.022 32.885 31.823 0.067 0.000 1.057 272 V HN -0.074 nan 8.190 nan 0.000 0.438 273 P HA 0.332 nan 4.420 nan 0.000 0.268 273 P C -0.903 176.334 177.300 -0.105 0.000 1.205 273 P CA 0.133 63.185 63.100 -0.081 0.000 0.771 273 P CB 1.017 32.656 31.700 -0.101 0.000 0.858 274 V N 2.573 122.410 119.914 -0.129 0.000 2.623 274 V HA 0.427 4.544 4.120 -0.005 0.000 0.304 274 V C -0.587 175.387 176.094 -0.201 0.000 1.054 274 V CA -0.525 61.676 62.300 -0.166 0.000 0.882 274 V CB 1.919 33.694 31.823 -0.079 0.000 1.002 274 V HN 0.547 nan 8.190 nan 0.000 0.424 275 S N 5.563 121.139 115.700 -0.207 0.000 2.475 275 S HA 0.708 5.176 4.470 -0.005 0.000 0.281 275 S C -0.819 173.669 174.600 -0.187 0.000 1.198 275 S CA -0.414 57.664 58.200 -0.203 0.000 1.063 275 S CB 1.052 64.148 63.200 -0.173 0.000 0.972 275 S HN 0.793 nan 8.310 nan 0.000 0.486 276 V N 6.050 125.839 119.914 -0.209 0.000 2.380 276 V HA 0.343 4.461 4.120 -0.005 0.000 0.286 276 V C 0.180 176.198 176.094 -0.126 0.000 1.015 276 V CA -0.945 61.265 62.300 -0.150 0.000 0.834 276 V CB 1.397 33.145 31.823 -0.125 0.000 1.009 276 V HN 0.759 nan 8.190 nan 0.000 0.428 277 V N 5.050 124.898 119.914 -0.111 0.000 2.475 277 V HA 0.045 4.162 4.120 -0.005 0.000 0.292 277 V C 1.181 177.285 176.094 0.016 0.000 1.003 277 V CA 1.256 63.486 62.300 -0.116 0.000 1.120 277 V CB 1.391 33.023 31.823 -0.318 0.000 0.937 277 V HN 1.030 nan 8.190 nan 0.000 0.476 278 S N 3.604 119.352 115.700 0.079 0.000 2.578 278 S HA 0.126 4.593 4.470 -0.005 0.000 0.231 278 S C 0.841 175.558 174.600 0.195 0.000 0.994 278 S CA 0.166 58.516 58.200 0.249 0.000 0.956 278 S CB 0.050 63.434 63.200 0.306 0.000 0.870 278 S HN 1.017 nan 8.310 nan 0.000 0.494 279 D N 0.515 120.984 120.400 0.114 0.000 2.424 279 D HA 0.191 4.829 4.640 -0.005 0.000 0.220 279 D C 0.887 177.186 176.300 -0.002 0.000 1.150 279 D CA 0.005 54.031 54.000 0.042 0.000 0.831 279 D CB -0.182 40.630 40.800 0.019 0.000 0.981 279 D HN 0.009 nan 8.370 nan 0.000 0.500 280 S N -0.163 115.509 115.700 -0.045 0.000 2.392 280 S HA -0.179 4.288 4.470 -0.005 0.000 0.232 280 S C 0.859 175.068 174.600 -0.653 0.000 1.041 280 S CA 1.423 59.388 58.200 -0.392 0.000 1.026 280 S CB -0.278 62.516 63.200 -0.676 0.000 0.845 280 S HN 0.560 nan 8.310 nan 0.000 0.465 281 Y N -0.873 119.443 120.300 0.027 0.000 2.784 281 Y HA 0.391 4.938 4.550 -0.005 0.000 0.267 281 Y C 0.165 176.057 175.900 -0.014 0.000 1.117 281 Y CA -0.474 57.622 58.100 -0.006 0.000 1.231 281 Y CB 0.862 39.306 38.460 -0.026 0.000 1.441 281 Y HN 0.050 nan 8.280 nan 0.000 0.469 282 D N 0.258 120.729 120.400 0.119 0.000 2.318 282 D HA 0.101 4.738 4.640 -0.005 0.000 0.233 282 D C 0.467 176.760 176.300 -0.012 0.000 1.348 282 D CA -0.014 54.013 54.000 0.045 0.000 0.983 282 D CB 0.944 41.798 40.800 0.091 0.000 1.416 282 D HN 0.124 nan 8.370 nan 0.000 0.558 283 I N 3.289 123.754 120.570 -0.173 0.000 2.194 283 I HA -0.258 3.909 4.170 -0.005 0.000 0.246 283 I C 1.029 177.064 176.117 -0.137 0.000 1.093 283 I CA 1.636 62.805 61.300 -0.219 0.000 1.355 283 I CB -0.278 37.472 38.000 -0.417 0.000 1.046 283 I HN 0.468 nan 8.210 nan 0.000 0.413 284 Y N 0.222 120.584 120.300 0.104 0.000 2.263 284 Y HA -0.211 4.336 4.550 -0.005 0.000 0.292 284 Y C 2.480 178.443 175.900 0.104 0.000 1.130 284 Y CA 1.404 59.562 58.100 0.096 0.000 1.179 284 Y CB -0.681 37.823 38.460 0.072 0.000 0.998 284 Y HN 0.297 nan 8.280 nan 0.000 0.532 285 N N 0.803 119.626 118.700 0.205 0.000 2.120 285 N HA -0.192 4.546 4.740 -0.005 0.000 0.188 285 N C 1.874 177.458 175.510 0.124 0.000 1.024 285 N CA 1.456 54.588 53.050 0.136 0.000 0.852 285 N CB -0.348 38.191 38.487 0.086 0.000 1.003 285 N HN 0.270 nan 8.380 nan 0.000 0.424 286 A N -0.176 122.724 122.820 0.133 0.000 1.902 286 A HA -0.142 4.176 4.320 -0.005 0.000 0.217 286 A C 2.621 180.363 177.584 0.262 0.000 1.181 286 A CA 1.553 53.682 52.037 0.154 0.000 0.623 286 A CB -1.152 18.009 19.000 0.269 0.000 0.818 286 A HN 0.585 nan 8.150 nan 0.000 0.443 287 C N -1.376 118.131 119.300 0.344 0.000 2.489 287 C HA -0.014 4.443 4.460 -0.005 0.000 0.279 287 C C 2.699 177.902 174.990 0.356 0.000 1.266 287 C CA 1.140 60.416 59.018 0.430 0.000 1.707 287 C CB -1.032 26.897 27.740 0.314 0.000 2.059 287 C HN 0.781 nan 8.230 nan 0.000 0.481 288 E N 0.613 120.967 120.200 0.257 0.000 2.046 288 E HA -0.147 4.201 4.350 -0.005 0.000 0.190 288 E C 2.109 178.802 176.600 0.155 0.000 0.982 288 E CA 1.063 57.580 56.400 0.197 0.000 0.800 288 E CB 0.079 29.872 29.700 0.156 0.000 0.756 288 E HN 0.556 nan 8.360 nan 0.000 0.449 289 K N -0.350 120.125 120.400 0.126 0.000 2.214 289 K HA 0.119 4.436 4.320 -0.005 0.000 0.201 289 K C 2.203 178.841 176.600 0.064 0.000 1.049 289 K CA 0.431 56.764 56.287 0.076 0.000 0.978 289 K CB 0.292 32.816 32.500 0.040 0.000 0.842 289 K HN 0.162 nan 8.250 nan 0.000 0.474 290 I N -0.524 120.070 120.570 0.040 0.000 2.270 290 I HA -0.160 4.007 4.170 -0.005 0.000 0.239 290 I C 2.074 178.225 176.117 0.056 0.000 1.080 290 I CA 1.303 62.572 61.300 -0.052 0.000 1.383 290 I CB -0.359 37.496 38.000 -0.240 0.000 1.097 290 I HN 0.217 nan 8.210 nan 0.000 0.420 291 W N 1.060 122.501 121.300 0.236 0.000 2.407 291 W HA -0.018 4.639 4.660 -0.005 0.000 0.305 291 W C 2.582 179.264 176.519 0.273 0.000 1.196 291 W CA 0.736 58.217 57.345 0.227 0.000 1.311 291 W CB -0.672 28.900 29.460 0.188 0.000 1.135 291 W HN 0.104 nan 8.180 nan 0.000 0.514 292 G N -0.165 108.912 108.800 0.461 0.000 2.484 292 G HA2 -0.101 3.856 3.960 -0.005 0.000 0.218 292 G HA3 -0.101 3.856 3.960 -0.005 0.000 0.218 292 G C 1.093 176.015 174.900 0.038 0.000 1.130 292 G CA 1.161 46.396 45.100 0.226 0.000 0.784 292 G HN 0.311 nan 8.290 nan 0.000 0.543 293 E N -0.643 119.615 120.200 0.098 0.000 3.596 293 E HA 0.040 4.387 4.350 -0.005 0.000 0.188 293 E C 1.550 178.210 176.600 0.100 0.000 1.232 293 E CA -0.079 56.356 56.400 0.059 0.000 1.460 293 E CB 0.160 29.885 29.700 0.042 0.000 1.513 293 E HN -0.012 nan 8.360 nan 0.000 0.530 294 D N 1.212 121.667 120.400 0.091 0.000 2.123 294 D HA -0.114 4.524 4.640 -0.005 0.000 0.196 294 D C 1.588 177.984 176.300 0.160 0.000 0.992 294 D CA 1.222 55.283 54.000 0.102 0.000 0.833 294 D CB 0.211 41.031 40.800 0.034 0.000 0.954 294 D HN 0.131 nan 8.370 nan 0.000 0.455 295 L N -0.133 121.155 121.223 0.108 0.000 2.808 295 L HA 0.267 4.604 4.340 -0.005 0.000 0.246 295 L C 2.036 178.891 176.870 -0.025 0.000 1.153 295 L CA -0.239 54.593 54.840 -0.014 0.000 0.956 295 L CB 0.387 42.505 42.059 0.099 0.000 1.270 295 L HN -0.127 nan 8.230 nan 0.000 0.528 296 R N 0.863 121.437 120.500 0.123 0.000 2.117 296 R HA -0.214 4.123 4.340 -0.005 0.000 0.243 296 R C 2.407 178.758 176.300 0.086 0.000 1.143 296 R CA 2.078 58.278 56.100 0.167 0.000 0.968 296 R CB -0.208 30.126 30.300 0.056 0.000 0.863 296 R HN 0.577 nan 8.270 nan 0.000 0.444 297 H N -0.506 118.610 119.070 0.076 0.000 2.456 297 H HA -0.093 4.461 4.556 -0.005 0.000 0.296 297 H C 1.721 177.064 175.328 0.026 0.000 1.079 297 H CA 1.031 57.099 56.048 0.033 0.000 1.322 297 H CB -0.349 29.428 29.762 0.024 0.000 1.388 297 H HN 0.298 nan 8.280 nan 0.000 0.538 298 L N 0.162 121.168 121.223 -0.361 0.000 2.558 298 L HA 0.128 4.466 4.340 -0.005 0.000 0.225 298 L C 2.022 178.838 176.870 -0.091 0.000 1.128 298 L CA 0.164 54.898 54.840 -0.176 0.000 0.868 298 L CB 0.069 42.016 42.059 -0.186 0.000 1.006 298 L HN 0.169 nan 8.230 nan 0.000 0.454 299 I N -0.940 119.585 120.570 -0.075 0.000 2.947 299 I HA -0.090 4.077 4.170 -0.005 0.000 0.263 299 I C 2.286 178.146 176.117 -0.428 0.000 1.130 299 I CA 0.519 61.746 61.300 -0.123 0.000 1.448 299 I CB 0.035 38.053 38.000 0.030 0.000 1.222 299 I HN 0.038 nan 8.210 nan 0.000 0.453 300 V N -0.813 118.854 119.914 -0.412 0.000 3.026 300 V HA -0.130 3.987 4.120 -0.005 0.000 0.265 300 V C 2.110 177.857 176.094 -0.578 0.000 1.121 300 V CA 1.900 63.699 62.300 -0.835 0.000 1.142 300 V CB -1.125 30.553 31.823 -0.241 0.000 0.730 300 V HN 0.495 nan 8.190 nan 0.000 0.503 301 S N -0.634 114.885 115.700 -0.302 0.000 2.558 301 S HA 0.226 4.693 4.470 -0.005 0.000 0.217 301 S C 1.022 175.549 174.600 -0.122 0.000 0.975 301 S CA -0.363 57.748 58.200 -0.148 0.000 0.912 301 S CB -0.276 62.888 63.200 -0.062 0.000 0.776 301 S HN 0.694 nan 8.310 nan 0.000 0.526 302 R N 1.896 122.291 120.500 -0.175 0.000 2.560 302 R HA 0.446 4.783 4.340 -0.005 0.000 0.270 302 R C 0.443 176.756 176.300 0.021 0.000 1.074 302 R CA -0.113 55.950 56.100 -0.062 0.000 1.140 302 R CB 0.603 30.872 30.300 -0.053 0.000 1.073 302 R HN 0.292 nan 8.270 nan 0.000 0.527 303 S N -0.009 115.706 115.700 0.025 0.000 2.603 303 S HA 0.001 4.468 4.470 -0.005 0.000 0.268 303 S C 1.042 175.672 174.600 0.050 0.000 1.317 303 S CA -0.470 57.752 58.200 0.038 0.000 1.012 303 S CB 1.212 64.420 63.200 0.012 0.000 0.926 303 S HN 0.577 nan 8.310 nan 0.000 0.539 304 T N 2.686 117.264 114.554 0.040 0.000 2.881 304 T HA -0.096 4.251 4.350 -0.005 0.000 0.270 304 T C 1.523 176.210 174.700 -0.022 0.000 1.068 304 T CA 1.504 63.610 62.100 0.010 0.000 1.131 304 T CB -0.212 68.658 68.868 0.004 0.000 0.871 304 T HN 0.805 nan 8.240 nan 0.000 0.479 305 Q N 0.307 120.093 119.800 -0.023 0.000 2.280 305 Q HA 0.438 4.775 4.340 -0.005 0.000 0.201 305 Q C 0.596 176.568 176.000 -0.047 0.000 0.890 305 Q CA -0.021 55.754 55.803 -0.046 0.000 0.947 305 Q CB 0.379 29.089 28.738 -0.047 0.000 1.081 305 Q HN 0.386 nan 8.270 nan 0.000 0.502 306 A N 2.413 125.214 122.820 -0.031 0.000 3.176 306 A HA 0.381 4.699 4.320 -0.005 0.000 0.265 306 A C -2.569 174.992 177.584 -0.038 0.000 0.936 306 A CA -1.160 50.858 52.037 -0.031 0.000 1.033 306 A CB 0.444 19.437 19.000 -0.011 0.000 1.158 306 A HN 0.081 nan 8.150 nan 0.000 0.485 307 P HA 0.213 nan 4.420 nan 0.000 0.272 307 P C -0.130 177.088 177.300 -0.136 0.000 1.230 307 P CA -0.152 62.903 63.100 -0.075 0.000 0.788 307 P CB 1.023 32.658 31.700 -0.108 0.000 0.949 308 L N 2.801 123.910 121.223 -0.191 0.000 2.360 308 L HA 0.289 4.626 4.340 -0.005 0.000 0.276 308 L C -0.320 176.336 176.870 -0.357 0.000 1.121 308 L CA 0.004 54.647 54.840 -0.328 0.000 0.845 308 L CB -0.450 41.308 42.059 -0.503 0.000 1.143 308 L HN 0.175 nan 8.230 nan 0.000 0.452 309 I N 6.828 127.193 120.570 -0.342 0.000 2.330 309 I HA 0.306 4.473 4.170 -0.005 0.000 0.286 309 I C -0.139 175.758 176.117 -0.367 0.000 1.025 309 I CA -0.322 60.789 61.300 -0.315 0.000 1.197 309 I CB 0.791 38.653 38.000 -0.230 0.000 1.358 309 I HN 0.518 nan 8.210 nan 0.000 0.467 310 I N 6.103 126.423 120.570 -0.417 0.000 2.533 310 I HA 0.147 4.314 4.170 -0.005 0.000 0.284 310 I C 0.674 176.657 176.117 -0.225 0.000 1.109 310 I CA 0.092 61.164 61.300 -0.381 0.000 1.412 310 I CB 0.435 38.197 38.000 -0.397 0.000 1.396 310 I HN 0.565 nan 8.210 nan 0.000 0.543 311 R N 9.145 129.552 120.500 -0.154 0.000 2.272 311 R HA 0.401 4.738 4.340 -0.005 0.000 0.323 311 R C -2.558 173.715 176.300 -0.045 0.000 1.002 311 R CA -1.653 54.390 56.100 -0.095 0.000 0.900 311 R CB 0.994 31.250 30.300 -0.073 0.000 1.151 311 R HN 0.270 nan 8.270 nan 0.000 0.507 312 P HA 0.129 nan 4.420 nan 0.000 0.274 312 P C -0.760 176.549 177.300 0.016 0.000 1.237 312 P CA -0.002 63.086 63.100 -0.019 0.000 0.793 312 P CB 1.101 32.780 31.700 -0.035 0.000 0.977 313 D N -1.050 119.375 120.400 0.043 0.000 2.615 313 D HA 0.134 4.771 4.640 -0.005 0.000 0.274 313 D C -0.716 175.625 176.300 0.069 0.000 1.512 313 D CA -0.008 54.044 54.000 0.087 0.000 0.803 313 D CB 0.244 41.143 40.800 0.166 0.000 1.182 313 D HN 0.366 nan 8.370 nan 0.000 0.473 314 S N -1.814 113.905 115.700 0.032 0.000 2.587 314 S HA 0.792 5.259 4.470 -0.005 0.000 0.269 314 S C 0.289 174.901 174.600 0.021 0.000 1.154 314 S CA -0.298 57.914 58.200 0.020 0.000 0.824 314 S CB 1.522 64.720 63.200 -0.003 0.000 1.118 314 S HN 0.653 nan 8.310 nan 0.000 0.462 315 G N 1.331 110.151 108.800 0.033 0.000 2.685 315 G HA2 -0.089 3.868 3.960 -0.005 0.000 0.387 315 G HA3 -0.089 3.868 3.960 -0.005 0.000 0.387 315 G C -0.658 174.278 174.900 0.060 0.000 1.324 315 G CA -0.411 44.723 45.100 0.057 0.000 0.878 315 G HN 1.169 nan 8.290 nan 0.000 0.527 316 N N 1.165 119.907 118.700 0.070 0.000 2.434 316 N HA 0.173 4.910 4.740 -0.005 0.000 0.268 316 N C -0.804 174.744 175.510 0.064 0.000 1.256 316 N CA -0.577 52.510 53.050 0.061 0.000 0.914 316 N CB 1.154 39.676 38.487 0.059 0.000 1.088 316 N HN 0.128 nan 8.380 nan 0.000 0.478 317 P HA -0.170 nan 4.420 nan 0.000 0.215 317 P C 1.745 179.080 177.300 0.059 0.000 1.157 317 P CA 0.773 63.908 63.100 0.058 0.000 0.874 317 P CB 0.330 32.065 31.700 0.058 0.000 0.790 318 L N -0.332 120.923 121.223 0.053 0.000 2.005 318 L HA -0.174 4.163 4.340 -0.005 0.000 0.207 318 L C 1.642 178.542 176.870 0.049 0.000 1.072 318 L CA 2.143 57.012 54.840 0.049 0.000 0.744 318 L CB -0.906 41.177 42.059 0.041 0.000 0.895 318 L HN -0.043 nan 8.230 nan 0.000 0.433 319 D N -0.576 119.858 120.400 0.056 0.000 2.123 319 D HA -0.170 4.467 4.640 -0.005 0.000 0.196 319 D C 2.040 178.391 176.300 0.085 0.000 0.992 319 D CA 1.808 55.844 54.000 0.060 0.000 0.833 319 D CB -0.228 40.610 40.800 0.063 0.000 0.954 319 D HN 0.356 nan 8.370 nan 0.000 0.455 320 T N 0.470 115.094 114.554 0.117 0.000 2.737 320 T HA -0.075 4.272 4.350 -0.005 0.000 0.265 320 T C 2.296 177.061 174.700 0.109 0.000 1.038 320 T CA 0.662 62.872 62.100 0.183 0.000 1.144 320 T CB -0.378 68.570 68.868 0.134 0.000 0.866 320 T HN -0.032 nan 8.240 nan 0.000 0.434 321 V N 1.748 121.682 119.914 0.033 0.000 2.287 321 V HA -0.140 3.977 4.120 -0.005 0.000 0.248 321 V C 2.519 178.556 176.094 -0.095 0.000 1.053 321 V CA 1.534 63.807 62.300 -0.046 0.000 1.027 321 V CB -0.724 31.064 31.823 -0.059 0.000 0.646 321 V HN 0.441 nan 8.190 nan 0.000 0.447 322 L N -0.349 120.845 121.223 -0.047 0.000 2.046 322 L HA -0.234 4.103 4.340 -0.005 0.000 0.208 322 L C 2.568 179.405 176.870 -0.054 0.000 1.077 322 L CA 2.044 56.848 54.840 -0.061 0.000 0.747 322 L CB -0.644 41.433 42.059 0.031 0.000 0.896 322 L HN 0.312 nan 8.230 nan 0.000 0.432 323 K N 0.065 120.462 120.400 -0.005 0.000 2.057 323 K HA -0.121 4.196 4.320 -0.005 0.000 0.206 323 K C 2.065 178.687 176.600 0.036 0.000 1.050 323 K CA 0.965 57.243 56.287 -0.015 0.000 0.935 323 K CB 0.065 32.488 32.500 -0.129 0.000 0.715 323 K HN 0.018 nan 8.250 nan 0.000 0.439 324 V N 1.867 121.832 119.914 0.086 0.000 2.287 324 V HA -0.289 3.828 4.120 -0.005 0.000 0.248 324 V C 2.283 178.320 176.094 -0.096 0.000 1.053 324 V CA 1.762 64.096 62.300 0.056 0.000 1.027 324 V CB -0.358 31.474 31.823 0.015 0.000 0.646 324 V HN 0.332 nan 8.190 nan 0.000 0.447 325 L N -0.642 120.401 121.223 -0.300 0.000 2.046 325 L HA -0.187 4.150 4.340 -0.005 0.000 0.208 325 L C 2.634 179.309 176.870 -0.325 0.000 1.077 325 L CA 1.538 55.976 54.840 -0.671 0.000 0.747 325 L CB -0.593 40.582 42.059 -1.475 0.000 0.896 325 L HN 0.297 nan 8.230 nan 0.000 0.432 326 E N 0.511 120.683 120.200 -0.047 0.000 2.077 326 E HA -0.183 4.164 4.350 -0.005 0.000 0.193 326 E C 2.092 178.790 176.600 0.163 0.000 0.989 326 E CA 1.244 57.765 56.400 0.201 0.000 0.800 326 E CB -0.187 29.609 29.700 0.160 0.000 0.746 326 E HN 0.393 nan 8.360 nan 0.000 0.452 327 I N -0.131 120.503 120.570 0.107 0.000 2.179 327 I HA -0.280 3.887 4.170 -0.005 0.000 0.242 327 I C 2.177 178.409 176.117 0.191 0.000 1.088 327 I CA 0.920 62.305 61.300 0.142 0.000 1.357 327 I CB -0.246 37.851 38.000 0.163 0.000 1.051 327 I HN 0.106 nan 8.210 nan 0.000 0.409 328 L N 0.317 121.646 121.223 0.178 0.000 2.093 328 L HA -0.111 4.227 4.340 -0.005 0.000 0.208 328 L C 2.647 179.724 176.870 0.346 0.000 1.085 328 L CA 1.393 56.400 54.840 0.279 0.000 0.755 328 L CB -1.116 40.994 42.059 0.086 0.000 0.904 328 L HN 0.331 nan 8.230 nan 0.000 0.435 329 G N -0.081 108.908 108.800 0.315 0.000 2.448 329 G HA2 -0.234 3.723 3.960 -0.005 0.000 0.219 329 G HA3 -0.234 3.723 3.960 -0.005 0.000 0.219 329 G C 1.698 176.764 174.900 0.277 0.000 1.127 329 G CA 0.535 45.887 45.100 0.420 0.000 0.766 329 G HN 0.320 nan 8.290 nan 0.000 0.552 330 K N -0.501 120.032 120.400 0.221 0.000 2.356 330 K HA 0.124 4.441 4.320 -0.005 0.000 0.195 330 K C 1.869 178.527 176.600 0.096 0.000 1.037 330 K CA 0.242 56.614 56.287 0.141 0.000 1.014 330 K CB 0.277 32.846 32.500 0.116 0.000 0.815 330 K HN -0.018 nan 8.250 nan 0.000 0.507 331 K N -0.400 120.068 120.400 0.115 0.000 2.348 331 K HA 0.193 4.510 4.320 -0.005 0.000 0.194 331 K C -0.069 176.328 176.600 -0.338 0.000 1.052 331 K CA 0.471 56.704 56.287 -0.089 0.000 1.004 331 K CB 0.488 32.937 32.500 -0.086 0.000 0.873 331 K HN -0.062 nan 8.250 nan 0.000 0.523 332 F N 1.323 121.348 119.950 0.125 0.000 2.577 332 F HA 0.331 4.855 4.527 -0.005 0.000 0.318 332 F C -2.089 173.778 175.800 0.112 0.000 1.065 332 F CA -2.659 55.424 58.000 0.138 0.000 0.929 332 F CB 1.578 40.665 39.000 0.146 0.000 1.237 332 F HN -0.237 nan 8.300 nan 0.000 0.468 333 P HA 0.111 nan 4.420 nan 0.000 0.268 333 P C -0.616 176.764 177.300 0.132 0.000 1.282 333 P CA 0.190 63.392 63.100 0.171 0.000 0.880 333 P CB 0.344 32.140 31.700 0.160 0.000 0.971 334 V N 4.425 124.411 119.914 0.120 0.000 2.649 334 V HA 0.333 4.450 4.120 -0.005 0.000 0.292 334 V C 1.248 177.363 176.094 0.034 0.000 1.055 334 V CA 0.071 62.425 62.300 0.090 0.000 1.023 334 V CB 1.222 33.098 31.823 0.089 0.000 0.992 334 V HN 0.640 nan 8.190 nan 0.000 0.480 335 T N 0.863 115.426 114.554 0.016 0.000 2.927 335 T HA 0.647 4.994 4.350 -0.005 0.000 0.286 335 T C -0.664 174.022 174.700 -0.022 0.000 1.040 335 T CA -0.805 61.294 62.100 -0.002 0.000 1.010 335 T CB 2.158 71.028 68.868 0.004 0.000 1.177 335 T HN 0.727 nan 8.240 nan 0.000 0.546 336 E N 1.477 121.662 120.200 -0.025 0.000 2.191 336 E HA 0.327 4.674 4.350 -0.005 0.000 0.263 336 E C -0.339 176.260 176.600 -0.002 0.000 0.881 336 E CA -0.873 55.507 56.400 -0.033 0.000 0.757 336 E CB 0.969 30.632 29.700 -0.061 0.000 1.147 336 E HN 0.729 nan 8.360 nan 0.000 0.414 337 N N 2.085 120.803 118.700 0.029 0.000 2.285 337 N HA -0.066 4.671 4.740 -0.005 0.000 0.262 337 N C 0.749 176.285 175.510 0.044 0.000 1.299 337 N CA 0.328 53.404 53.050 0.043 0.000 0.930 337 N CB 0.384 38.909 38.487 0.064 0.000 1.157 337 N HN 0.385 nan 8.380 nan 0.000 0.532 338 S N -1.990 113.736 115.700 0.043 0.000 2.515 338 S HA 0.014 4.481 4.470 -0.005 0.000 0.231 338 S C 0.986 175.619 174.600 0.053 0.000 0.987 338 S CA 0.344 58.565 58.200 0.035 0.000 0.936 338 S CB -0.220 62.996 63.200 0.026 0.000 0.766 338 S HN 0.498 nan 8.310 nan 0.000 0.528 339 K N 0.748 121.211 120.400 0.104 0.000 2.404 339 K HA 0.261 4.578 4.320 -0.005 0.000 0.194 339 K C 1.362 178.062 176.600 0.167 0.000 1.023 339 K CA 0.635 57.023 56.287 0.170 0.000 1.094 339 K CB 0.026 32.669 32.500 0.238 0.000 0.841 339 K HN 0.575 nan 8.250 nan 0.000 0.523 340 G N 0.990 109.828 108.800 0.064 0.000 2.157 340 G HA2 -0.263 3.695 3.960 -0.005 0.000 0.239 340 G HA3 -0.263 3.695 3.960 -0.005 0.000 0.239 340 G C -0.320 174.434 174.900 -0.243 0.000 0.982 340 G CA -0.167 44.868 45.100 -0.109 0.000 0.650 340 G HN 0.217 nan 8.290 nan 0.000 0.527 341 Y N 0.755 121.026 120.300 -0.048 0.000 2.376 341 Y HA 0.588 5.135 4.550 -0.005 0.000 0.325 341 Y C 1.101 176.938 175.900 -0.104 0.000 1.199 341 Y CA -0.635 57.424 58.100 -0.068 0.000 1.206 341 Y CB 0.940 39.397 38.460 -0.005 0.000 1.229 341 Y HN 0.002 nan 8.280 nan 0.000 0.480 342 K N 2.288 122.632 120.400 -0.094 0.000 2.350 342 K HA 0.370 4.688 4.320 -0.005 0.000 0.279 342 K C -1.346 175.278 176.600 0.040 0.000 1.027 342 K CA -0.388 55.765 56.287 -0.223 0.000 0.969 342 K CB 0.614 32.615 32.500 -0.833 0.000 0.954 342 K HN 0.339 nan 8.250 nan 0.000 0.474 343 L N 4.457 125.721 121.223 0.068 0.000 2.406 343 L HA 0.338 4.676 4.340 -0.005 0.000 0.272 343 L C -1.014 175.928 176.870 0.120 0.000 0.980 343 L CA -0.454 54.462 54.840 0.127 0.000 0.831 343 L CB 1.294 43.389 42.059 0.061 0.000 1.253 343 L HN 0.542 nan 8.230 nan 0.000 0.406 344 L N 5.883 127.190 121.223 0.140 0.000 2.473 344 L HA 0.336 4.673 4.340 -0.005 0.000 0.268 344 L C -1.713 175.081 176.870 -0.128 0.000 1.215 344 L CA -1.626 53.230 54.840 0.027 0.000 0.823 344 L CB 0.010 42.034 42.059 -0.058 0.000 1.099 344 L HN 0.511 nan 8.230 nan 0.000 0.483 345 P HA 0.049 nan 4.420 nan 0.000 0.270 345 P C -2.182 174.765 177.300 -0.589 0.000 1.223 345 P CA -1.355 61.449 63.100 -0.495 0.000 0.785 345 P CB -0.117 31.059 31.700 -0.873 0.000 0.923 346 P HA -0.136 nan 4.420 nan 0.000 0.225 346 P C 0.946 178.115 177.300 -0.219 0.000 1.148 346 P CA 1.455 64.408 63.100 -0.246 0.000 0.779 346 P CB -0.425 31.206 31.700 -0.116 0.000 0.780 347 Y N -1.432 118.813 120.300 -0.090 0.000 2.529 347 Y HA 0.490 5.038 4.550 -0.005 0.000 0.290 347 Y C 0.516 176.287 175.900 -0.214 0.000 1.177 347 Y CA -1.140 56.885 58.100 -0.125 0.000 1.305 347 Y CB -0.780 37.627 38.460 -0.088 0.000 1.047 347 Y HN -0.209 nan 8.280 nan 0.000 0.522 348 L N 1.895 122.951 121.223 -0.279 0.000 2.406 348 L HA 0.642 4.979 4.340 -0.005 0.000 0.272 348 L C -1.195 175.489 176.870 -0.309 0.000 0.980 348 L CA -1.118 53.526 54.840 -0.328 0.000 0.831 348 L CB 1.340 43.096 42.059 -0.505 0.000 1.253 348 L HN 0.024 nan 8.230 nan 0.000 0.406 349 R N 2.955 123.279 120.500 -0.293 0.000 2.869 349 R HA 0.825 5.162 4.340 -0.005 0.000 0.263 349 R C -1.569 174.563 176.300 -0.281 0.000 1.066 349 R CA -0.868 55.079 56.100 -0.254 0.000 0.960 349 R CB 2.242 32.420 30.300 -0.203 0.000 1.221 349 R HN 0.378 nan 8.270 nan 0.000 0.474 350 V N 1.550 121.306 119.914 -0.263 0.000 2.735 350 V HA 0.565 4.683 4.120 -0.005 0.000 0.310 350 V C -0.325 175.600 176.094 -0.282 0.000 1.061 350 V CA -0.859 61.279 62.300 -0.271 0.000 0.913 350 V CB 2.430 34.087 31.823 -0.276 0.000 1.005 350 V HN 0.614 nan 8.190 nan 0.000 0.428 351 I N 3.130 123.547 120.570 -0.255 0.000 2.447 351 I HA 0.519 4.687 4.170 -0.005 0.000 0.287 351 I C -0.804 175.177 176.117 -0.228 0.000 1.023 351 I CA -0.640 60.498 61.300 -0.270 0.000 1.083 351 I CB 1.907 39.792 38.000 -0.192 0.000 1.245 351 I HN 0.753 nan 8.210 nan 0.000 0.434 352 Q N 5.525 125.143 119.800 -0.304 0.000 2.360 352 Q HA 0.473 4.811 4.340 -0.005 0.000 0.254 352 Q C 0.107 176.062 176.000 -0.075 0.000 0.975 352 Q CA -0.117 55.597 55.803 -0.147 0.000 0.912 352 Q CB 1.569 30.240 28.738 -0.113 0.000 1.212 352 Q HN 0.763 nan 8.270 nan 0.000 0.452 353 G N 3.006 111.805 108.800 -0.002 0.000 3.377 353 G HA2 0.087 4.045 3.960 -0.005 0.000 0.257 353 G HA3 0.087 4.045 3.960 -0.005 0.000 0.257 353 G C -0.539 174.438 174.900 0.128 0.000 1.038 353 G CA -0.206 44.910 45.100 0.027 0.000 0.809 353 G HN 0.597 nan 8.290 nan 0.000 0.526 354 D N -0.741 119.715 120.400 0.094 0.000 2.256 354 D HA 0.462 5.099 4.640 -0.005 0.000 0.246 354 D C 1.092 177.432 176.300 0.068 0.000 1.042 354 D CA 0.330 54.387 54.000 0.094 0.000 0.841 354 D CB 1.170 42.020 40.800 0.084 0.000 1.223 354 D HN 0.211 nan 8.370 nan 0.000 0.470 355 G N 2.246 111.082 108.800 0.060 0.000 2.225 355 G HA2 -0.203 3.754 3.960 -0.005 0.000 0.267 355 G HA3 -0.203 3.754 3.960 -0.005 0.000 0.267 355 G C 0.044 174.959 174.900 0.025 0.000 1.024 355 G CA 0.336 45.462 45.100 0.042 0.000 0.784 355 G HN 0.525 nan 8.290 nan 0.000 0.507 356 V N 1.630 121.553 119.914 0.016 0.000 2.406 356 V HA 0.590 4.707 4.120 -0.005 0.000 0.272 356 V C 0.285 176.349 176.094 -0.049 0.000 1.043 356 V CA 0.258 62.542 62.300 -0.026 0.000 0.915 356 V CB 1.301 33.109 31.823 -0.026 0.000 0.988 356 V HN 0.658 nan 8.190 nan 0.000 0.466 357 D N 3.153 123.513 120.400 -0.065 0.000 2.744 357 D HA 0.258 4.895 4.640 -0.005 0.000 0.304 357 D C 0.939 177.188 176.300 -0.085 0.000 1.179 357 D CA -0.857 53.111 54.000 -0.054 0.000 1.024 357 D CB 1.139 41.935 40.800 -0.006 0.000 1.453 357 D HN 0.282 nan 8.370 nan 0.000 0.529 358 I N -0.015 120.530 120.570 -0.041 0.000 2.264 358 I HA -0.260 3.907 4.170 -0.005 0.000 0.248 358 I C 1.061 177.129 176.117 -0.081 0.000 1.111 358 I CA 1.357 62.623 61.300 -0.056 0.000 1.382 358 I CB -0.114 37.896 38.000 0.017 0.000 1.060 358 I HN 0.245 nan 8.210 nan 0.000 0.418 359 N N 0.368 119.040 118.700 -0.048 0.000 2.135 359 N HA -0.159 4.579 4.740 -0.005 0.000 0.186 359 N C 1.894 177.360 175.510 -0.073 0.000 1.027 359 N CA 2.200 55.222 53.050 -0.048 0.000 0.849 359 N CB -0.809 37.669 38.487 -0.015 0.000 1.002 359 N HN 0.514 nan 8.380 nan 0.000 0.425 360 T N -0.128 114.381 114.554 -0.074 0.000 2.904 360 T HA 0.002 4.350 4.350 -0.005 0.000 0.267 360 T C 2.119 176.727 174.700 -0.154 0.000 1.059 360 T CA 0.358 62.412 62.100 -0.076 0.000 1.137 360 T CB -0.494 68.352 68.868 -0.036 0.000 0.879 360 T HN 0.105 nan 8.240 nan 0.000 0.467 361 L N 0.822 121.885 121.223 -0.267 0.000 2.012 361 L HA -0.158 4.179 4.340 -0.005 0.000 0.210 361 L C 2.936 179.561 176.870 -0.408 0.000 1.073 361 L CA 2.165 56.683 54.840 -0.536 0.000 0.748 361 L CB -0.557 41.111 42.059 -0.650 0.000 0.891 361 L HN 0.303 nan 8.230 nan 0.000 0.431 362 Q N 0.261 119.897 119.800 -0.273 0.000 2.096 362 Q HA -0.286 4.051 4.340 -0.005 0.000 0.204 362 Q C 1.968 177.840 176.000 -0.214 0.000 0.982 362 Q CA 2.305 57.967 55.803 -0.236 0.000 0.850 362 Q CB -0.286 28.375 28.738 -0.129 0.000 0.901 362 Q HN 0.596 nan 8.270 nan 0.000 0.422 363 E N -0.309 119.810 120.200 -0.134 0.000 2.058 363 E HA -0.178 4.169 4.350 -0.005 0.000 0.194 363 E C 2.047 178.606 176.600 -0.068 0.000 0.997 363 E CA 1.507 57.861 56.400 -0.077 0.000 0.801 363 E CB -0.213 29.463 29.700 -0.039 0.000 0.746 363 E HN 0.484 nan 8.360 nan 0.000 0.450 364 I N 0.818 121.353 120.570 -0.058 0.000 2.179 364 I HA -0.250 3.917 4.170 -0.005 0.000 0.242 364 I C 2.655 178.770 176.117 -0.004 0.000 1.088 364 I CA 1.041 62.357 61.300 0.028 0.000 1.357 364 I CB -0.508 37.603 38.000 0.185 0.000 1.051 364 I HN 0.088 nan 8.210 nan 0.000 0.409 365 V N -0.780 119.051 119.914 -0.139 0.000 2.427 365 V HA -0.220 3.898 4.120 -0.005 0.000 0.248 365 V C 2.389 178.274 176.094 -0.348 0.000 1.051 365 V CA 2.049 64.190 62.300 -0.266 0.000 1.048 365 V CB -0.851 30.668 31.823 -0.506 0.000 0.666 365 V HN 0.401 nan 8.190 nan 0.000 0.456 366 E N 2.179 122.137 120.200 -0.402 0.000 2.072 366 E HA -0.014 4.333 4.350 -0.005 0.000 0.191 366 E C 2.148 178.788 176.600 0.067 0.000 0.985 366 E CA 1.949 58.301 56.400 -0.079 0.000 0.801 366 E CB -1.048 28.640 29.700 -0.020 0.000 0.750 366 E HN 0.577 nan 8.360 nan 0.000 0.452 367 G N 0.166 108.988 108.800 0.038 0.000 2.408 367 G HA2 -0.227 3.730 3.960 -0.005 0.000 0.217 367 G HA3 -0.227 3.730 3.960 -0.005 0.000 0.217 367 G C 1.653 176.637 174.900 0.141 0.000 1.150 367 G CA 0.925 46.076 45.100 0.084 0.000 0.776 367 G HN 0.242 nan 8.290 nan 0.000 0.542 368 M N 0.192 119.876 119.600 0.141 0.000 2.065 368 M HA -0.050 4.427 4.480 -0.005 0.000 0.259 368 M C 2.547 179.037 176.300 0.317 0.000 1.069 368 M CA 1.834 57.276 55.300 0.236 0.000 1.110 368 M CB -0.258 32.453 32.600 0.185 0.000 1.328 368 M HN 0.228 nan 8.290 nan 0.000 0.405 369 K N 0.189 120.755 120.400 0.277 0.000 2.063 369 K HA -0.276 4.041 4.320 -0.005 0.000 0.208 369 K C 1.986 178.791 176.600 0.343 0.000 1.048 369 K CA 1.844 58.348 56.287 0.362 0.000 0.928 369 K CB -0.081 32.641 32.500 0.370 0.000 0.713 369 K HN 0.180 nan 8.250 nan 0.000 0.442 370 Q N 0.614 120.558 119.800 0.240 0.000 2.096 370 Q HA -0.081 4.256 4.340 -0.005 0.000 0.204 370 Q C 1.037 177.123 176.000 0.143 0.000 0.982 370 Q CA 1.593 57.498 55.803 0.170 0.000 0.850 370 Q CB 0.247 29.067 28.738 0.136 0.000 0.901 370 Q HN 0.095 nan 8.270 nan 0.000 0.422 371 K N -0.485 120.030 120.400 0.192 0.000 2.437 371 K HA 0.107 4.425 4.320 -0.005 0.000 0.198 371 K C -0.143 176.494 176.600 0.061 0.000 1.024 371 K CA -0.012 56.378 56.287 0.172 0.000 1.148 371 K CB 0.632 33.320 32.500 0.313 0.000 0.860 371 K HN 0.252 nan 8.250 nan 0.000 0.515 372 M N -1.482 118.171 119.600 0.088 0.000 2.732 372 M HA -0.190 4.287 4.480 -0.005 0.000 0.207 372 M C -1.163 175.133 176.300 -0.007 0.000 0.513 372 M CA 0.820 56.091 55.300 -0.049 0.000 0.652 372 M CB -2.645 29.768 32.600 -0.312 0.000 2.410 372 M HN 0.194 nan 8.290 nan 0.000 0.660 373 W N 0.652 122.111 121.300 0.266 0.000 2.349 373 W HA 0.572 5.230 4.660 -0.004 0.000 0.309 373 W C 0.980 177.616 176.519 0.195 0.000 1.083 373 W CA -0.350 57.110 57.345 0.192 0.000 1.224 373 W CB 1.161 30.682 29.460 0.101 0.000 1.256 373 W HN 0.244 nan 8.180 nan 0.000 0.461 374 S N 3.195 119.128 115.700 0.388 0.000 2.568 374 S HA 0.022 4.489 4.470 -0.005 0.000 0.282 374 S C 1.165 175.851 174.600 0.143 0.000 1.338 374 S CA -0.375 57.927 58.200 0.171 0.000 1.045 374 S CB 0.446 63.732 63.200 0.143 0.000 0.873 374 S HN 0.406 nan 8.310 nan 0.000 0.516 375 I N 3.889 124.499 120.570 0.066 0.000 3.001 375 I HA -0.034 4.134 4.170 -0.005 0.000 0.268 375 I C 2.063 178.213 176.117 0.053 0.000 1.267 375 I CA 0.914 62.263 61.300 0.081 0.000 1.472 375 I CB -1.710 36.359 38.000 0.114 0.000 1.089 375 I HN 0.759 nan 8.210 nan 0.000 0.468 376 E N 0.946 121.173 120.200 0.045 0.000 2.160 376 E HA -0.208 4.139 4.350 -0.005 0.000 0.195 376 E C 1.624 178.222 176.600 -0.004 0.000 0.991 376 E CA 0.938 57.353 56.400 0.025 0.000 0.810 376 E CB -0.114 29.602 29.700 0.026 0.000 0.742 376 E HN 0.536 nan 8.360 nan 0.000 0.466 377 N N 0.257 118.963 118.700 0.009 0.000 2.396 377 N HA -0.047 4.690 4.740 -0.005 0.000 0.180 377 N C 0.264 175.691 175.510 -0.139 0.000 1.028 377 N CA 0.574 53.596 53.050 -0.047 0.000 0.893 377 N CB 0.288 38.776 38.487 0.003 0.000 0.967 377 N HN 0.112 nan 8.380 nan 0.000 0.440 378 I N 0.064 120.543 120.570 -0.152 0.000 2.530 378 I HA 0.513 4.680 4.170 -0.005 0.000 0.297 378 I C -0.865 175.054 176.117 -0.329 0.000 1.011 378 I CA -1.010 60.104 61.300 -0.310 0.000 1.107 378 I CB 1.759 39.535 38.000 -0.372 0.000 1.285 378 I HN -0.081 nan 8.210 nan 0.000 0.436 379 A N 5.539 128.080 122.820 -0.465 0.000 2.485 379 A HA 0.888 5.205 4.320 -0.005 0.000 0.292 379 A C -1.700 175.454 177.584 -0.717 0.000 1.147 379 A CA -0.432 51.371 52.037 -0.390 0.000 0.750 379 A CB 0.914 19.826 19.000 -0.148 0.000 1.331 379 A HN 0.479 nan 8.150 nan 0.000 0.419 380 F N -0.529 119.327 119.950 -0.157 0.000 2.563 380 F HA 0.646 5.170 4.527 -0.004 0.000 0.316 380 F C 0.768 176.325 175.800 -0.404 0.000 1.076 380 F CA -0.387 57.468 58.000 -0.243 0.000 0.921 380 F CB 2.681 41.554 39.000 -0.213 0.000 1.209 380 F HN 0.741 nan 8.300 nan 0.000 0.462 381 G N 0.356 108.864 108.800 -0.485 0.000 2.461 381 G HA2 0.519 4.476 3.960 -0.005 0.000 0.323 381 G HA3 0.519 4.476 3.960 -0.005 0.000 0.323 381 G C -1.548 172.939 174.900 -0.689 0.000 1.229 381 G CA -0.677 43.674 45.100 -1.248 0.000 0.941 381 G HN 0.595 nan 8.290 nan 0.000 0.477 382 S N 0.588 116.011 115.700 -0.463 0.000 2.571 382 S HA 0.732 5.199 4.470 -0.005 0.000 0.284 382 S C 0.758 175.338 174.600 -0.033 0.000 1.128 382 S CA 0.132 58.224 58.200 -0.179 0.000 0.970 382 S CB 1.496 64.585 63.200 -0.184 0.000 1.039 382 S HN 0.930 nan 8.310 nan 0.000 0.485 383 G N 3.054 111.897 108.800 0.072 0.000 2.543 383 G HA2 0.335 4.293 3.960 -0.005 0.000 0.221 383 G HA3 0.335 4.293 3.960 -0.005 0.000 0.221 383 G C 1.285 176.229 174.900 0.074 0.000 1.902 383 G CA 0.447 45.622 45.100 0.125 0.000 0.838 383 G HN 0.944 nan 8.290 nan 0.000 0.650 384 G N 0.643 109.490 108.800 0.078 0.000 2.422 384 G HA2 0.079 4.036 3.960 -0.005 0.000 0.218 384 G HA3 0.079 4.036 3.960 -0.005 0.000 0.218 384 G C 1.760 176.697 174.900 0.061 0.000 1.146 384 G CA 1.547 46.691 45.100 0.073 0.000 0.769 384 G HN 0.743 nan 8.290 nan 0.000 0.547 385 G N 0.491 109.314 108.800 0.039 0.000 2.450 385 G HA2 -0.142 3.815 3.960 -0.005 0.000 0.220 385 G HA3 -0.142 3.815 3.960 -0.005 0.000 0.220 385 G C 1.677 176.586 174.900 0.016 0.000 1.130 385 G CA 1.118 46.233 45.100 0.025 0.000 0.760 385 G HN 0.423 nan 8.290 nan 0.000 0.557 386 L N -0.756 120.459 121.223 -0.014 0.000 2.168 386 L HA 0.412 4.750 4.340 -0.005 0.000 0.203 386 L C 2.243 179.109 176.870 -0.006 0.000 1.078 386 L CA 1.153 55.958 54.840 -0.057 0.000 0.780 386 L CB 0.078 42.028 42.059 -0.182 0.000 0.939 386 L HN 0.155 nan 8.230 nan 0.000 0.451 387 L N -1.896 119.356 121.223 0.048 0.000 2.749 387 L HA 0.216 4.553 4.340 -0.005 0.000 0.242 387 L C 1.698 178.712 176.870 0.240 0.000 1.103 387 L CA 0.152 55.072 54.840 0.133 0.000 0.906 387 L CB 0.367 42.496 42.059 0.117 0.000 1.228 387 L HN 0.268 nan 8.230 nan 0.000 0.517 388 Q N 0.679 120.580 119.800 0.169 0.000 2.477 388 Q HA 0.053 4.390 4.340 -0.005 0.000 0.252 388 Q C 1.144 177.241 176.000 0.163 0.000 0.869 388 Q CA 0.629 56.527 55.803 0.159 0.000 0.969 388 Q CB 0.576 29.376 28.738 0.104 0.000 1.144 388 Q HN 0.053 nan 8.270 nan 0.000 0.577 389 K N 1.164 121.643 120.400 0.132 0.000 3.006 389 K HA 0.282 4.599 4.320 -0.005 0.000 0.265 389 K C -1.192 175.490 176.600 0.137 0.000 1.279 389 K CA 0.044 56.398 56.287 0.113 0.000 1.229 389 K CB -0.667 31.881 32.500 0.080 0.000 1.555 389 K HN 0.134 nan 8.250 nan 0.000 0.300 390 L N -0.076 121.272 121.223 0.208 0.000 2.466 390 L HA 0.429 4.767 4.340 -0.005 0.000 0.258 390 L C -0.632 176.450 176.870 0.353 0.000 0.973 390 L CA -0.883 54.118 54.840 0.269 0.000 0.826 390 L CB 2.651 44.919 42.059 0.347 0.000 1.372 390 L HN 0.040 nan 8.230 nan 0.000 0.409 391 T N -0.460 114.190 114.554 0.160 0.000 2.883 391 T HA 0.291 4.638 4.350 -0.005 0.000 0.301 391 T C 0.556 174.904 174.700 -0.587 0.000 1.158 391 T CA -0.587 61.371 62.100 -0.237 0.000 1.007 391 T CB 2.722 71.509 68.868 -0.135 0.000 1.186 391 T HN 0.603 nan 8.240 nan 0.000 0.499 392 R N 0.738 120.520 120.500 -1.197 0.000 2.170 392 R HA -0.125 4.212 4.340 -0.005 0.000 0.242 392 R C 1.333 177.418 176.300 -0.358 0.000 1.145 392 R CA 1.629 57.177 56.100 -0.920 0.000 0.984 392 R CB 0.005 29.715 30.300 -0.982 0.000 0.869 392 R HN 0.558 nan 8.270 nan 0.000 0.455 393 D N 0.244 120.479 120.400 -0.275 0.000 2.218 393 D HA -0.167 4.470 4.640 -0.005 0.000 0.204 393 D C 1.762 178.004 176.300 -0.096 0.000 0.976 393 D CA 0.762 54.673 54.000 -0.148 0.000 0.853 393 D CB 0.063 40.795 40.800 -0.114 0.000 0.939 393 D HN 0.169 nan 8.370 nan 0.000 0.481 394 L N 0.358 121.520 121.223 -0.101 0.000 2.046 394 L HA -0.115 4.222 4.340 -0.005 0.000 0.208 394 L C 1.867 178.677 176.870 -0.101 0.000 1.077 394 L CA 1.582 56.359 54.840 -0.106 0.000 0.747 394 L CB -0.105 41.857 42.059 -0.162 0.000 0.896 394 L HN -0.008 nan 8.230 nan 0.000 0.432 395 L N -0.833 120.355 121.223 -0.058 0.000 2.808 395 L HA 0.231 4.568 4.340 -0.005 0.000 0.246 395 L C 0.190 177.051 176.870 -0.014 0.000 1.153 395 L CA -0.237 54.597 54.840 -0.011 0.000 0.956 395 L CB -0.159 41.927 42.059 0.044 0.000 1.270 395 L HN 0.221 nan 8.230 nan 0.000 0.528 396 N N 0.265 118.935 118.700 -0.049 0.000 2.714 396 N HA -0.174 4.564 4.740 -0.005 0.000 0.252 396 N C -0.168 175.266 175.510 -0.128 0.000 1.014 396 N CA 0.574 53.577 53.050 -0.079 0.000 0.735 396 N CB -1.733 36.721 38.487 -0.056 0.000 0.924 396 N HN 0.300 nan 8.380 nan 0.000 0.540 397 C N 0.607 119.838 119.300 -0.116 0.000 2.648 397 C HA 0.434 4.891 4.460 -0.005 0.000 0.415 397 C C 1.287 176.073 174.990 -0.340 0.000 1.366 397 C CA -0.187 58.681 59.018 -0.250 0.000 1.756 397 C CB 0.153 27.984 27.740 0.152 0.000 2.549 397 C HN 0.481 nan 8.230 nan 0.000 0.597 398 S N 2.251 117.565 115.700 -0.643 0.000 2.533 398 S HA 0.714 5.181 4.470 -0.005 0.000 0.271 398 S C -1.398 172.941 174.600 -0.433 0.000 1.143 398 S CA -0.416 57.562 58.200 -0.369 0.000 0.891 398 S CB 0.954 63.996 63.200 -0.263 0.000 1.105 398 S HN 0.600 nan 8.310 nan 0.000 0.468 399 F N 4.182 123.948 119.950 -0.306 0.000 2.493 399 F HA 0.753 5.278 4.527 -0.005 0.000 0.329 399 F C -0.607 175.060 175.800 -0.223 0.000 1.126 399 F CA -0.405 57.445 58.000 -0.249 0.000 0.937 399 F CB 1.016 40.040 39.000 0.040 0.000 1.146 399 F HN 0.387 nan 8.300 nan 0.000 0.442 400 K N 5.014 125.124 120.400 -0.484 0.000 2.546 400 K HA 0.237 4.554 4.320 -0.005 0.000 0.264 400 K C -1.542 174.984 176.600 -0.123 0.000 0.937 400 K CA -0.622 55.552 56.287 -0.189 0.000 0.833 400 K CB 1.622 34.036 32.500 -0.144 0.000 1.378 400 K HN 0.733 nan 8.250 nan 0.000 0.432 401 C N 2.245 121.599 119.300 0.090 0.000 2.632 401 C HA 0.231 4.688 4.460 -0.005 0.000 0.415 401 C C 1.661 176.815 174.990 0.273 0.000 1.332 401 C CA 0.486 59.613 59.018 0.182 0.000 1.874 401 C CB -1.072 26.796 27.740 0.213 0.000 2.596 401 C HN 0.866 nan 8.230 nan 0.000 0.590 402 S N 3.441 119.365 115.700 0.373 0.000 2.604 402 S HA 0.233 4.700 4.470 -0.005 0.000 0.235 402 S C -0.324 174.502 174.600 0.377 0.000 1.043 402 S CA -0.160 58.268 58.200 0.381 0.000 0.997 402 S CB 0.078 63.491 63.200 0.354 0.000 0.956 402 S HN 0.948 nan 8.310 nan 0.000 0.535 403 Y N 1.379 121.811 120.300 0.219 0.000 2.482 403 Y HA 0.575 5.123 4.550 -0.005 0.000 0.334 403 Y C -1.345 174.623 175.900 0.114 0.000 1.091 403 Y CA -1.038 57.118 58.100 0.093 0.000 1.027 403 Y CB 1.938 40.333 38.460 -0.107 0.000 1.306 403 Y HN 0.334 nan 8.280 nan 0.000 0.446 404 V N 2.942 122.572 119.914 -0.473 0.000 3.078 404 V HA 0.906 5.023 4.120 -0.005 0.000 0.311 404 V C -1.882 173.843 176.094 -0.616 0.000 1.138 404 V CA -0.998 61.072 62.300 -0.383 0.000 1.007 404 V CB 1.655 33.394 31.823 -0.140 0.000 1.045 404 V HN 0.603 nan 8.190 nan 0.000 0.432 405 V N 2.020 121.723 119.914 -0.353 0.000 2.409 405 V HA 0.711 4.828 4.120 -0.005 0.000 0.291 405 V C 0.035 176.033 176.094 -0.159 0.000 1.020 405 V CA 0.025 62.175 62.300 -0.251 0.000 0.848 405 V CB 1.626 33.367 31.823 -0.136 0.000 0.990 405 V HN 1.123 nan 8.190 nan 0.000 0.430 406 T N 4.216 118.689 114.554 -0.134 0.000 2.881 406 T HA 0.397 4.744 4.350 -0.005 0.000 0.290 406 T C 0.165 174.818 174.700 -0.077 0.000 1.000 406 T CA -0.534 61.503 62.100 -0.105 0.000 0.978 406 T CB 0.977 69.790 68.868 -0.092 0.000 0.997 406 T HN 0.705 nan 8.240 nan 0.000 0.443 407 N N 1.830 120.488 118.700 -0.069 0.000 2.727 407 N HA -0.237 4.500 4.740 -0.005 0.000 0.249 407 N C 1.149 176.636 175.510 -0.038 0.000 1.048 407 N CA 1.438 54.458 53.050 -0.049 0.000 0.714 407 N CB -1.281 37.181 38.487 -0.040 0.000 0.959 407 N HN 1.364 nan 8.380 nan 0.000 0.544 408 G N -1.631 107.145 108.800 -0.040 0.000 2.189 408 G HA2 -0.320 3.637 3.960 -0.005 0.000 0.267 408 G HA3 -0.320 3.637 3.960 -0.005 0.000 0.267 408 G C -0.110 174.776 174.900 -0.024 0.000 0.975 408 G CA 0.484 45.569 45.100 -0.025 0.000 0.644 408 G HN 0.410 nan 8.290 nan 0.000 0.537 409 L N 1.774 122.972 121.223 -0.042 0.000 2.280 409 L HA 0.609 4.947 4.340 -0.005 0.000 0.287 409 L C 1.088 177.908 176.870 -0.085 0.000 1.023 409 L CA 0.383 55.199 54.840 -0.040 0.000 0.819 409 L CB 0.704 42.741 42.059 -0.037 0.000 1.212 409 L HN 0.201 nan 8.230 nan 0.000 0.420 410 G N 5.853 114.617 108.800 -0.060 0.000 2.378 410 G HA2 0.462 4.420 3.960 -0.005 0.000 0.255 410 G HA3 0.462 4.420 3.960 -0.005 0.000 0.255 410 G C -0.372 174.455 174.900 -0.122 0.000 1.270 410 G CA -0.273 44.722 45.100 -0.176 0.000 0.876 410 G HN 0.683 nan 8.290 nan 0.000 0.521 411 I N -0.459 119.949 120.570 -0.269 0.000 2.730 411 I HA 0.511 4.678 4.170 -0.005 0.000 0.298 411 I C -1.104 175.020 176.117 0.011 0.000 1.089 411 I CA -1.465 59.798 61.300 -0.062 0.000 1.041 411 I CB 2.492 40.472 38.000 -0.032 0.000 1.235 411 I HN 0.148 nan 8.210 nan 0.000 0.423 412 N N 5.286 124.076 118.700 0.151 0.000 2.411 412 N HA 0.442 5.179 4.740 -0.005 0.000 0.259 412 N C -0.367 175.304 175.510 0.268 0.000 1.103 412 N CA -0.273 52.912 53.050 0.225 0.000 0.954 412 N CB 1.610 40.196 38.487 0.165 0.000 1.085 412 N HN 0.618 nan 8.380 nan 0.000 0.485 413 V N -0.038 120.048 119.914 0.286 0.000 2.919 413 V HA 0.971 5.089 4.120 -0.005 0.000 0.316 413 V C -0.509 175.843 176.094 0.429 0.000 1.077 413 V CA -0.890 61.577 62.300 0.279 0.000 0.977 413 V CB 1.383 33.278 31.823 0.119 0.000 1.039 413 V HN 0.571 nan 8.190 nan 0.000 0.441 414 F N -0.237 119.763 119.950 0.082 0.000 2.799 414 F HA 0.740 5.264 4.527 -0.005 0.000 0.316 414 F C -1.069 174.770 175.800 0.065 0.000 1.155 414 F CA -1.243 56.808 58.000 0.086 0.000 0.916 414 F CB 1.353 40.395 39.000 0.070 0.000 1.294 414 F HN 0.828 nan 8.300 nan 0.000 0.447 415 K N 0.269 120.718 120.400 0.082 0.000 2.221 415 K HA 0.725 5.042 4.320 -0.005 0.000 0.243 415 K C -1.754 174.961 176.600 0.192 0.000 0.968 415 K CA -0.712 55.572 56.287 -0.005 0.000 0.846 415 K CB 2.222 34.736 32.500 0.022 0.000 1.141 415 K HN 0.727 nan 8.250 nan 0.000 0.434 416 D N 1.762 122.232 120.400 0.116 0.000 3.118 416 D HA 0.268 4.905 4.640 -0.005 0.000 0.259 416 D C -2.583 173.769 176.300 0.087 0.000 1.292 416 D CA -1.147 52.959 54.000 0.177 0.000 0.784 416 D CB 0.598 41.599 40.800 0.335 0.000 1.413 416 D HN 0.376 nan 8.370 nan 0.000 0.583 417 P HA 0.030 nan 4.420 nan 0.000 0.267 417 P C 1.216 178.537 177.300 0.035 0.000 1.205 417 P CA -0.438 62.682 63.100 0.033 0.000 0.765 417 P CB 1.531 33.246 31.700 0.025 0.000 0.828 418 V N 3.262 123.192 119.914 0.027 0.000 2.332 418 V HA -0.272 3.846 4.120 -0.005 0.000 0.248 418 V C 1.797 177.904 176.094 0.022 0.000 1.055 418 V CA 2.740 65.055 62.300 0.026 0.000 1.038 418 V CB -0.974 30.861 31.823 0.019 0.000 0.651 418 V HN 0.693 nan 8.190 nan 0.000 0.450 419 A N -1.363 121.467 122.820 0.017 0.000 2.251 419 A HA 0.146 4.463 4.320 -0.005 0.000 0.209 419 A C 0.817 178.410 177.584 0.015 0.000 1.187 419 A CA 0.830 52.875 52.037 0.014 0.000 0.823 419 A CB -0.100 18.906 19.000 0.009 0.000 0.846 419 A HN 0.585 nan 8.150 nan 0.000 0.486 420 D N -1.374 119.037 120.400 0.019 0.000 2.472 420 D HA 0.288 4.925 4.640 -0.005 0.000 0.248 420 D C -2.415 173.902 176.300 0.028 0.000 1.271 420 D CA -1.420 52.591 54.000 0.020 0.000 0.888 420 D CB 1.209 42.018 40.800 0.014 0.000 1.337 420 D HN -0.095 nan 8.370 nan 0.000 0.526 421 P HA -0.085 nan 4.420 nan 0.000 0.219 421 P C 1.192 178.511 177.300 0.033 0.000 1.146 421 P CA 0.629 63.750 63.100 0.034 0.000 0.808 421 P CB 0.379 32.096 31.700 0.027 0.000 0.779 422 N N -0.176 118.539 118.700 0.025 0.000 2.272 422 N HA -0.139 4.598 4.740 -0.005 0.000 0.185 422 N C 1.216 176.741 175.510 0.024 0.000 1.014 422 N CA 1.097 54.160 53.050 0.021 0.000 0.870 422 N CB -0.266 38.230 38.487 0.014 0.000 0.975 422 N HN 0.325 nan 8.380 nan 0.000 0.433 423 K N 0.646 121.064 120.400 0.029 0.000 2.404 423 K HA 0.077 4.394 4.320 -0.005 0.000 0.194 423 K C 0.555 177.193 176.600 0.063 0.000 1.023 423 K CA -0.274 56.032 56.287 0.033 0.000 1.094 423 K CB 0.475 32.989 32.500 0.024 0.000 0.841 423 K HN 0.100 nan 8.250 nan 0.000 0.523 424 R N 2.354 122.900 120.500 0.077 0.000 2.538 424 R HA -0.029 4.308 4.340 -0.005 0.000 0.282 424 R C -0.055 176.325 176.300 0.134 0.000 1.009 424 R CA 0.245 56.418 56.100 0.121 0.000 1.063 424 R CB 0.448 30.807 30.300 0.099 0.000 0.945 424 R HN 0.052 nan 8.270 nan 0.000 0.414 425 S N 3.194 119.016 115.700 0.204 0.000 2.722 425 S HA 0.387 4.854 4.470 -0.005 0.000 0.292 425 S C -0.512 174.215 174.600 0.212 0.000 1.135 425 S CA -0.964 57.381 58.200 0.242 0.000 1.003 425 S CB 1.633 64.995 63.200 0.270 0.000 1.067 425 S HN 0.581 nan 8.310 nan 0.000 0.546 426 K N 0.660 121.176 120.400 0.192 0.000 2.154 426 K HA 0.330 4.647 4.320 -0.005 0.000 0.264 426 K C -0.452 176.149 176.600 0.002 0.000 1.008 426 K CA -0.389 55.867 56.287 -0.051 0.000 0.937 426 K CB 0.564 32.839 32.500 -0.375 0.000 1.002 426 K HN 0.510 nan 8.250 nan 0.000 0.469 427 K N 1.044 121.399 120.400 -0.075 0.000 2.206 427 K HA 0.427 4.744 4.320 -0.005 0.000 0.264 427 K C 0.018 176.608 176.600 -0.017 0.000 0.967 427 K CA -0.486 55.797 56.287 -0.007 0.000 0.844 427 K CB 1.718 34.140 32.500 -0.129 0.000 1.099 427 K HN 0.845 nan 8.250 nan 0.000 0.441 428 G N 2.091 110.936 108.800 0.076 0.000 2.660 428 G HA2 -0.258 3.699 3.960 -0.005 0.000 0.215 428 G HA3 -0.258 3.699 3.960 -0.005 0.000 0.215 428 G C -0.941 173.847 174.900 -0.187 0.000 1.345 428 G CA -0.904 44.203 45.100 0.011 0.000 0.877 428 G HN 0.617 nan 8.290 nan 0.000 0.549 429 R N -0.548 119.645 120.500 -0.511 0.000 2.491 429 R HA 0.525 4.862 4.340 -0.005 0.000 0.283 429 R C 0.332 176.467 176.300 -0.275 0.000 1.072 429 R CA -0.073 55.610 56.100 -0.694 0.000 1.048 429 R CB 0.341 30.116 30.300 -0.876 0.000 0.983 429 R HN 0.439 nan 8.270 nan 0.000 0.450 430 L N 1.307 122.482 121.223 -0.079 0.000 2.330 430 L HA 0.573 4.910 4.340 -0.005 0.000 0.271 430 L C -0.059 176.806 176.870 -0.009 0.000 1.013 430 L CA -0.753 54.057 54.840 -0.051 0.000 0.816 430 L CB 2.062 44.066 42.059 -0.092 0.000 1.287 430 L HN 0.761 nan 8.230 nan 0.000 0.435 431 S N 1.385 117.070 115.700 -0.024 0.000 2.556 431 S HA 0.708 5.176 4.470 -0.005 0.000 0.271 431 S C -1.285 173.221 174.600 -0.157 0.000 1.135 431 S CA -0.802 57.356 58.200 -0.069 0.000 0.858 431 S CB 2.263 65.490 63.200 0.043 0.000 1.114 431 S HN 0.420 nan 8.310 nan 0.000 0.468 432 L N 2.580 123.599 121.223 -0.340 0.000 2.307 432 L HA 0.679 5.016 4.340 -0.005 0.000 0.284 432 L C -0.888 175.698 176.870 -0.474 0.000 1.023 432 L CA 0.136 54.840 54.840 -0.226 0.000 0.810 432 L CB 0.885 42.894 42.059 -0.083 0.000 1.231 432 L HN 0.911 nan 8.230 nan 0.000 0.423 433 H N 2.817 121.921 119.070 0.056 0.000 2.946 433 H HA 0.472 5.025 4.556 -0.005 0.000 0.365 433 H C -0.830 174.528 175.328 0.050 0.000 1.197 433 H CA -1.110 54.968 56.048 0.050 0.000 1.131 433 H CB 1.755 31.515 29.762 -0.002 0.000 1.849 433 H HN 0.353 nan 8.280 nan 0.000 0.555 434 R N 1.228 121.821 120.500 0.155 0.000 2.357 434 R HA 0.193 4.530 4.340 -0.005 0.000 0.296 434 R C 0.115 176.491 176.300 0.127 0.000 1.052 434 R CA -0.245 55.847 56.100 -0.014 0.000 0.988 434 R CB 0.514 30.784 30.300 -0.050 0.000 1.025 434 R HN 0.768 nan 8.270 nan 0.000 0.469 435 T N 0.934 115.532 114.554 0.075 0.000 2.816 435 T HA 0.266 4.613 4.350 -0.005 0.000 0.282 435 T C -1.562 173.172 174.700 0.057 0.000 0.993 435 T CA -1.455 60.750 62.100 0.174 0.000 0.994 435 T CB 0.879 69.835 68.868 0.146 0.000 1.025 435 T HN 0.357 nan 8.240 nan 0.000 0.529 436 P HA 0.036 nan 4.420 nan 0.000 0.218 436 P C 1.233 178.518 177.300 -0.024 0.000 1.148 436 P CA 1.103 64.183 63.100 -0.034 0.000 0.822 436 P CB -0.262 31.397 31.700 -0.069 0.000 0.784 437 A N -1.052 121.761 122.820 -0.013 0.000 2.238 437 A HA 0.423 4.741 4.320 -0.005 0.000 0.208 437 A C 1.584 179.146 177.584 -0.036 0.000 1.177 437 A CA 0.706 52.732 52.037 -0.019 0.000 0.804 437 A CB -1.293 17.703 19.000 -0.007 0.000 0.823 437 A HN 0.249 nan 8.150 nan 0.000 0.482 438 G N -0.630 108.138 108.800 -0.055 0.000 2.136 438 G HA2 -0.272 3.686 3.960 -0.005 0.000 0.242 438 G HA3 -0.272 3.686 3.960 -0.005 0.000 0.242 438 G C 0.047 174.833 174.900 -0.190 0.000 0.989 438 G CA 0.377 45.410 45.100 -0.112 0.000 0.682 438 G HN 0.661 nan 8.290 nan 0.000 0.522 439 N N -1.138 117.481 118.700 -0.136 0.000 2.514 439 N HA 0.771 5.508 4.740 -0.005 0.000 0.299 439 N C -0.276 175.070 175.510 -0.272 0.000 1.292 439 N CA -0.520 52.445 53.050 -0.140 0.000 0.963 439 N CB 0.452 38.951 38.487 0.020 0.000 1.124 439 N HN 0.090 nan 8.380 nan 0.000 0.580 440 F N -0.102 119.880 119.950 0.053 0.000 2.492 440 F HA 0.652 5.177 4.527 -0.004 0.000 0.327 440 F C -0.112 175.703 175.800 0.024 0.000 1.079 440 F CA -0.782 57.248 58.000 0.050 0.000 0.967 440 F CB 1.565 40.594 39.000 0.048 0.000 1.169 440 F HN -0.041 nan 8.300 nan 0.000 0.472 441 V N 1.536 121.559 119.914 0.183 0.000 2.851 441 V HA 0.511 4.628 4.120 -0.005 0.000 0.307 441 V C -0.988 175.117 176.094 0.018 0.000 1.129 441 V CA -0.291 62.030 62.300 0.035 0.000 0.932 441 V CB 2.414 34.158 31.823 -0.132 0.000 1.024 441 V HN 0.768 nan 8.190 nan 0.000 0.426 442 T N 7.801 122.342 114.554 -0.021 0.000 2.743 442 T HA 0.531 4.878 4.350 -0.005 0.000 0.292 442 T C -0.247 174.403 174.700 -0.084 0.000 0.972 442 T CA -0.105 61.970 62.100 -0.041 0.000 0.967 442 T CB 0.471 69.298 68.868 -0.068 0.000 0.926 442 T HN 0.498 nan 8.240 nan 0.000 0.459 443 L N 3.851 125.046 121.223 -0.047 0.000 2.305 443 L HA 0.438 4.775 4.340 -0.005 0.000 0.281 443 L C 0.776 177.589 176.870 -0.096 0.000 1.085 443 L CA -0.544 54.236 54.840 -0.099 0.000 0.813 443 L CB 0.934 42.923 42.059 -0.116 0.000 1.157 443 L HN 0.579 nan 8.230 nan 0.000 0.436 444 E N 1.811 121.941 120.200 -0.117 0.000 2.239 444 E HA 0.267 4.614 4.350 -0.005 0.000 0.261 444 E C -0.391 176.140 176.600 -0.115 0.000 1.016 444 E CA -0.718 55.605 56.400 -0.129 0.000 0.882 444 E CB 1.040 30.658 29.700 -0.137 0.000 1.190 444 E HN 0.494 nan 8.360 nan 0.000 0.415 445 E N -0.272 119.855 120.200 -0.122 0.000 2.637 445 E HA -0.282 4.066 4.350 -0.005 0.000 0.265 445 E C 0.508 177.033 176.600 -0.125 0.000 1.073 445 E CA 0.229 56.567 56.400 -0.104 0.000 0.778 445 E CB -1.733 27.923 29.700 -0.074 0.000 1.362 445 E HN 1.009 nan 8.360 nan 0.000 0.413 446 G N 0.046 108.744 108.800 -0.171 0.000 2.189 446 G HA2 -0.434 3.523 3.960 -0.005 0.000 0.267 446 G HA3 -0.434 3.523 3.960 -0.005 0.000 0.267 446 G C 0.802 175.643 174.900 -0.099 0.000 0.975 446 G CA 0.895 45.892 45.100 -0.170 0.000 0.644 446 G HN 0.377 nan 8.290 nan 0.000 0.537 447 K N 0.289 120.639 120.400 -0.082 0.000 2.281 447 K HA -0.016 4.301 4.320 -0.005 0.000 0.203 447 K C 2.702 179.269 176.600 -0.056 0.000 1.046 447 K CA 0.928 57.178 56.287 -0.061 0.000 0.938 447 K CB -0.393 32.069 32.500 -0.062 0.000 0.737 447 K HN 0.441 nan 8.250 nan 0.000 0.458 448 G N 1.836 110.614 108.800 -0.036 0.000 2.485 448 G HA2 -0.267 3.691 3.960 -0.005 0.000 0.221 448 G HA3 -0.267 3.691 3.960 -0.005 0.000 0.221 448 G C 0.938 175.843 174.900 0.008 0.000 1.115 448 G CA 0.948 46.054 45.100 0.009 0.000 0.751 448 G HN 0.241 nan 8.290 nan 0.000 0.567 449 D N 0.437 120.831 120.400 -0.011 0.000 2.263 449 D HA -0.051 4.586 4.640 -0.005 0.000 0.208 449 D C 2.475 178.768 176.300 -0.013 0.000 0.971 449 D CA 0.345 54.337 54.000 -0.012 0.000 0.867 449 D CB -0.128 40.653 40.800 -0.032 0.000 0.929 449 D HN 0.345 nan 8.370 nan 0.000 0.492 450 L N 0.234 121.445 121.223 -0.020 0.000 2.376 450 L HA -0.041 4.296 4.340 -0.005 0.000 0.219 450 L C 0.551 177.411 176.870 -0.017 0.000 1.133 450 L CA 0.494 55.323 54.840 -0.018 0.000 0.816 450 L CB -0.439 41.609 42.059 -0.018 0.000 0.933 450 L HN 0.005 nan 8.230 nan 0.000 0.449 451 E N -0.574 119.616 120.200 -0.016 0.000 2.791 451 E HA -0.282 4.065 4.350 -0.005 0.000 0.271 451 E C 0.755 177.339 176.600 -0.027 0.000 1.044 451 E CA 0.655 57.050 56.400 -0.010 0.000 0.814 451 E CB -1.137 28.563 29.700 0.001 0.000 1.400 451 E HN 0.614 nan 8.360 nan 0.000 0.423 452 E N -1.040 119.140 120.200 -0.033 0.000 2.427 452 E HA -0.077 4.270 4.350 -0.005 0.000 0.196 452 E C 0.632 177.114 176.600 -0.195 0.000 1.028 452 E CA 0.671 57.013 56.400 -0.096 0.000 0.864 452 E CB 0.175 29.825 29.700 -0.083 0.000 0.813 452 E HN 0.401 nan 8.360 nan 0.000 0.514 453 Y N -0.293 119.898 120.300 -0.181 0.000 2.719 453 Y HA 0.271 4.818 4.550 -0.004 0.000 0.251 453 Y C 0.777 176.631 175.900 -0.076 0.000 1.159 453 Y CA 0.000 57.991 58.100 -0.181 0.000 1.166 453 Y CB 1.230 39.472 38.460 -0.363 0.000 1.219 453 Y HN 0.047 nan 8.280 nan 0.000 0.551 454 G N 0.498 109.348 108.800 0.082 0.000 2.698 454 G HA2 -0.209 3.748 3.960 -0.005 0.000 0.233 454 G HA3 -0.209 3.748 3.960 -0.005 0.000 0.233 454 G C -0.643 174.394 174.900 0.228 0.000 1.352 454 G CA -0.906 44.270 45.100 0.126 0.000 0.879 454 G HN 0.055 nan 8.290 nan 0.000 0.567 455 Q N 0.446 120.355 119.800 0.183 0.000 2.340 455 Q HA 0.333 4.670 4.340 -0.005 0.000 0.249 455 Q C 0.318 176.379 176.000 0.103 0.000 0.957 455 Q CA -0.446 55.445 55.803 0.148 0.000 0.882 455 Q CB 1.070 29.846 28.738 0.063 0.000 1.235 455 Q HN 0.696 nan 8.270 nan 0.000 0.439 456 D N 1.413 121.801 120.400 -0.020 0.000 2.493 456 D HA -0.068 4.569 4.640 -0.005 0.000 0.240 456 D C 0.703 176.852 176.300 -0.252 0.000 1.142 456 D CA 0.356 54.172 54.000 -0.307 0.000 0.872 456 D CB 0.641 41.336 40.800 -0.176 0.000 1.173 456 D HN 0.446 nan 8.370 nan 0.000 0.467 457 L N 3.102 124.166 121.223 -0.265 0.000 2.478 457 L HA 0.043 4.380 4.340 -0.005 0.000 0.223 457 L C 0.843 177.551 176.870 -0.269 0.000 1.140 457 L CA 0.078 54.813 54.840 -0.176 0.000 0.842 457 L CB -0.369 41.702 42.059 0.020 0.000 0.953 457 L HN 0.300 nan 8.230 nan 0.000 0.452 458 L N -0.130 120.951 121.223 -0.237 0.000 2.417 458 L HA 0.183 4.520 4.340 -0.005 0.000 0.268 458 L C 0.031 176.749 176.870 -0.253 0.000 1.158 458 L CA -0.091 54.649 54.840 -0.168 0.000 0.819 458 L CB 0.264 42.276 42.059 -0.079 0.000 1.112 458 L HN 0.107 nan 8.230 nan 0.000 0.458 459 H N 0.454 119.530 119.070 0.010 0.000 2.569 459 H HA 0.226 4.780 4.556 -0.005 0.000 0.357 459 H C -0.545 174.823 175.328 0.065 0.000 1.153 459 H CA -0.792 55.283 56.048 0.044 0.000 1.193 459 H CB 1.892 31.697 29.762 0.072 0.000 1.602 459 H HN 0.486 nan 8.280 nan 0.000 0.523 460 T N 2.446 117.108 114.554 0.179 0.000 2.793 460 T HA 0.046 4.393 4.350 -0.005 0.000 0.289 460 T C 1.657 176.445 174.700 0.146 0.000 0.956 460 T CA -0.120 62.065 62.100 0.142 0.000 1.177 460 T CB 0.072 68.998 68.868 0.097 0.000 0.897 460 T HN 0.522 nan 8.240 nan 0.000 0.533 461 V N 1.269 121.282 119.914 0.166 0.000 3.621 461 V HA 0.541 4.658 4.120 -0.005 0.000 0.263 461 V C 0.045 176.254 176.094 0.192 0.000 1.272 461 V CA -0.032 62.363 62.300 0.159 0.000 1.080 461 V CB -0.371 31.565 31.823 0.188 0.000 0.816 461 V HN 0.654 nan 8.190 nan 0.000 0.451 462 F N 1.092 121.056 119.950 0.023 0.000 2.588 462 F HA 0.739 5.263 4.527 -0.004 0.000 0.314 462 F C -0.795 175.012 175.800 0.012 0.000 1.134 462 F CA -0.793 57.211 58.000 0.007 0.000 0.961 462 F CB 1.740 40.738 39.000 -0.004 0.000 1.239 462 F HN -0.056 nan 8.300 nan 0.000 0.448 463 K N 4.895 125.074 120.400 -0.368 0.000 2.553 463 K HA 0.310 4.627 4.320 -0.005 0.000 0.250 463 K C -0.880 175.471 176.600 -0.416 0.000 0.953 463 K CA -0.613 55.539 56.287 -0.226 0.000 0.800 463 K CB 1.054 33.498 32.500 -0.092 0.000 1.243 463 K HN 0.758 nan 8.250 nan 0.000 0.435 464 N N 2.703 121.242 118.700 -0.269 0.000 2.705 464 N HA -0.220 4.517 4.740 -0.005 0.000 0.255 464 N C 0.458 175.826 175.510 -0.237 0.000 1.008 464 N CA 1.688 54.599 53.050 -0.230 0.000 0.742 464 N CB -1.190 37.175 38.487 -0.203 0.000 0.906 464 N HN 1.110 nan 8.380 nan 0.000 0.541 465 G N -1.480 107.076 108.800 -0.407 0.000 2.176 465 G HA2 -0.335 3.622 3.960 -0.005 0.000 0.253 465 G HA3 -0.335 3.622 3.960 -0.005 0.000 0.253 465 G C -0.079 174.597 174.900 -0.374 0.000 0.979 465 G CA 0.770 45.748 45.100 -0.202 0.000 0.641 465 G HN 0.533 nan 8.290 nan 0.000 0.530 466 K N 0.174 120.160 120.400 -0.690 0.000 2.324 466 K HA 0.602 4.920 4.320 -0.005 0.000 0.253 466 K C -0.207 176.118 176.600 -0.459 0.000 0.932 466 K CA -0.917 55.127 56.287 -0.406 0.000 0.799 466 K CB 3.035 35.401 32.500 -0.223 0.000 1.154 466 K HN 0.006 nan 8.250 nan 0.000 0.425 467 V N 2.782 122.596 119.914 -0.167 0.000 2.455 467 V HA 0.012 4.129 4.120 -0.005 0.000 0.273 467 V C 1.297 177.352 176.094 -0.066 0.000 1.045 467 V CA 0.264 62.541 62.300 -0.039 0.000 0.976 467 V CB 0.743 32.582 31.823 0.026 0.000 0.993 467 V HN 1.025 nan 8.190 nan 0.000 0.475 468 T N 0.742 115.269 114.554 -0.045 0.000 3.001 468 T HA 0.291 4.638 4.350 -0.005 0.000 0.251 468 T C 0.333 175.003 174.700 -0.051 0.000 1.040 468 T CA -0.224 61.846 62.100 -0.050 0.000 0.985 468 T CB 0.316 69.162 68.868 -0.037 0.000 1.011 468 T HN 0.400 nan 8.240 nan 0.000 0.509 469 K N 0.553 120.919 120.400 -0.057 0.000 2.557 469 K HA 0.687 5.005 4.320 -0.005 0.000 0.257 469 K C -1.806 174.672 176.600 -0.203 0.000 0.933 469 K CA -0.338 55.859 56.287 -0.150 0.000 0.820 469 K CB 2.219 34.646 32.500 -0.122 0.000 1.330 469 K HN 0.039 nan 8.250 nan 0.000 0.432 470 S N 1.944 117.406 115.700 -0.396 0.000 2.595 470 S HA 0.720 5.187 4.470 -0.005 0.000 0.281 470 S C -1.717 172.511 174.600 -0.620 0.000 1.117 470 S CA -0.576 57.434 58.200 -0.318 0.000 0.873 470 S CB 0.789 63.902 63.200 -0.146 0.000 1.108 470 S HN 0.412 nan 8.310 nan 0.000 0.477 471 Y N 0.838 121.209 120.300 0.119 0.000 2.492 471 Y HA 0.487 5.034 4.550 -0.005 0.000 0.346 471 Y C 0.560 176.606 175.900 0.243 0.000 0.997 471 Y CA -0.891 57.303 58.100 0.157 0.000 1.025 471 Y CB 1.663 40.229 38.460 0.177 0.000 1.263 471 Y HN 0.697 nan 8.280 nan 0.000 0.454 472 S N 1.161 117.050 115.700 0.315 0.000 2.632 472 S HA 0.197 4.664 4.470 -0.005 0.000 0.267 472 S C 0.617 175.436 174.600 0.366 0.000 1.276 472 S CA -0.502 57.887 58.200 0.315 0.000 0.998 472 S CB 0.589 63.908 63.200 0.199 0.000 0.953 472 S HN 0.658 nan 8.310 nan 0.000 0.547 473 F N 1.219 121.287 119.950 0.196 0.000 2.216 473 F HA -0.058 4.466 4.527 -0.005 0.000 0.300 473 F C 1.739 177.542 175.800 0.004 0.000 1.085 473 F CA 1.601 59.632 58.000 0.050 0.000 1.326 473 F CB -0.404 38.606 39.000 0.016 0.000 1.027 473 F HN 0.624 nan 8.300 nan 0.000 0.497 474 D N 0.079 120.548 120.400 0.115 0.000 2.144 474 D HA -0.165 4.472 4.640 -0.005 0.000 0.200 474 D C 2.047 178.334 176.300 -0.021 0.000 0.978 474 D CA 1.404 55.417 54.000 0.020 0.000 0.833 474 D CB -0.394 40.447 40.800 0.068 0.000 0.961 474 D HN 0.464 nan 8.370 nan 0.000 0.470 475 E N 0.563 120.793 120.200 0.049 0.000 2.077 475 E HA -0.106 4.242 4.350 -0.005 0.000 0.193 475 E C 2.405 179.005 176.600 -0.000 0.000 0.989 475 E CA 0.458 56.903 56.400 0.076 0.000 0.800 475 E CB -0.048 29.778 29.700 0.209 0.000 0.746 475 E HN 0.290 nan 8.360 nan 0.000 0.452 476 I N 0.931 121.457 120.570 -0.072 0.000 2.163 476 I HA -0.309 3.858 4.170 -0.005 0.000 0.243 476 I C 2.594 178.513 176.117 -0.330 0.000 1.085 476 I CA 1.267 62.440 61.300 -0.211 0.000 1.347 476 I CB -0.272 37.527 38.000 -0.335 0.000 1.044 476 I HN 0.032 nan 8.210 nan 0.000 0.408 477 R N 0.758 120.982 120.500 -0.460 0.000 2.083 477 R HA -0.243 4.094 4.340 -0.005 0.000 0.237 477 R C 2.367 178.522 176.300 -0.241 0.000 1.137 477 R CA 1.875 57.727 56.100 -0.412 0.000 0.951 477 R CB -0.343 29.719 30.300 -0.397 0.000 0.851 477 R HN 0.322 nan 8.270 nan 0.000 0.434 478 K N 0.868 121.173 120.400 -0.159 0.000 2.057 478 K HA -0.145 4.173 4.320 -0.005 0.000 0.207 478 K C 1.449 177.990 176.600 -0.097 0.000 1.049 478 K CA 1.969 58.195 56.287 -0.101 0.000 0.931 478 K CB -0.101 32.370 32.500 -0.048 0.000 0.714 478 K HN 0.235 nan 8.250 nan 0.000 0.440 479 N N -0.119 118.534 118.700 -0.079 0.000 2.289 479 N HA -0.121 4.616 4.740 -0.005 0.000 0.184 479 N C 1.278 176.712 175.510 -0.127 0.000 1.016 479 N CA 0.789 53.788 53.050 -0.084 0.000 0.872 479 N CB -0.043 38.475 38.487 0.051 0.000 0.973 479 N HN 0.273 nan 8.380 nan 0.000 0.433 480 A N 0.562 123.296 122.820 -0.144 0.000 2.275 480 A HA 0.067 4.385 4.320 -0.005 0.000 0.212 480 A C 0.583 178.071 177.584 -0.158 0.000 1.201 480 A CA -0.158 51.788 52.037 -0.152 0.000 0.843 480 A CB 0.123 19.000 19.000 -0.206 0.000 0.873 480 A HN 0.247 nan 8.150 nan 0.000 0.492 481 Q N -0.052 119.657 119.800 -0.152 0.000 2.474 481 Q HA 0.266 4.603 4.340 -0.005 0.000 0.256 481 Q C -0.376 175.552 176.000 -0.120 0.000 1.048 481 Q CA 0.118 55.834 55.803 -0.145 0.000 0.922 481 Q CB 0.576 29.241 28.738 -0.122 0.000 1.288 481 Q HN 0.497 nan 8.270 nan 0.000 0.484 482 L N 1.732 122.884 121.223 -0.118 0.000 2.466 482 L HA -0.003 4.335 4.340 -0.005 0.000 0.257 482 L C 1.496 178.323 176.870 -0.071 0.000 1.189 482 L CA -0.673 54.114 54.840 -0.089 0.000 0.813 482 L CB 0.153 42.159 42.059 -0.089 0.000 1.118 482 L HN 0.668 nan 8.230 nan 0.000 0.471 483 N N 0.787 119.455 118.700 -0.053 0.000 2.060 483 N HA -0.136 4.601 4.740 -0.005 0.000 0.195 483 N C 0.676 176.160 175.510 -0.044 0.000 1.028 483 N CA 1.191 54.215 53.050 -0.044 0.000 0.861 483 N CB -0.214 38.254 38.487 -0.033 0.000 1.029 483 N HN 0.338 nan 8.380 nan 0.000 0.428 484 I N 0.000 120.543 120.570 -0.044 0.000 2.984 484 I HA 0.000 4.167 4.170 -0.005 0.000 0.288 484 I CA 0.000 61.275 61.300 -0.042 0.000 1.566 484 I CB 0.000 37.977 38.000 -0.038 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494