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 3dhd_1_A 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 0.000 175.805 175.800 0.008 0.000 0.967 9 F CA 0.000 58.021 58.000 0.035 0.000 1.383 9 F CB 0.000 39.075 39.000 0.126 0.000 1.145 10 N N 6.698 124.924 118.700 -0.790 0.000 2.540 10 N HA 0.271 6.155 4.740 1.907 0.000 0.275 10 N C 0.289 175.304 175.510 -0.826 0.000 1.053 10 N CA -0.498 52.200 53.050 -0.587 0.000 0.876 10 N CB 1.401 39.666 38.487 -0.371 0.000 1.284 10 N HN 0.912 nan 8.380 nan 0.000 0.518 11 I N 2.752 123.012 120.570 -0.518 0.000 2.657 11 I HA -0.195 5.120 4.170 1.907 0.000 0.261 11 I C 0.827 176.971 176.117 0.045 0.000 1.212 11 I CA 0.891 62.101 61.300 -0.149 0.000 1.453 11 I CB 0.317 38.433 38.000 0.194 0.000 1.092 11 I HN 0.496 nan 8.210 nan 0.000 0.452 12 L N -0.017 121.075 121.223 -0.217 0.000 2.291 12 L HA -0.067 5.418 4.340 1.907 0.000 0.214 12 L C 1.672 178.689 176.870 0.247 0.000 1.120 12 L CA 1.341 56.135 54.840 -0.077 0.000 0.799 12 L CB -0.305 41.456 42.059 -0.496 0.000 0.925 12 L HN 0.223 nan 8.230 nan 0.000 0.446 13 L N -1.132 120.057 121.223 -0.056 0.000 2.769 13 L HA 0.314 5.798 4.340 1.907 0.000 0.240 13 L C 0.938 177.755 176.870 -0.090 0.000 1.163 13 L CA -0.112 54.676 54.840 -0.087 0.000 0.962 13 L CB -0.021 41.866 42.059 -0.287 0.000 1.258 13 L HN 0.102 nan 8.230 nan 0.000 0.513 14 A N -0.337 122.460 122.820 -0.038 0.000 3.041 14 A HA 0.486 5.950 4.320 1.907 0.000 0.307 14 A C 0.157 177.756 177.584 0.026 0.000 1.116 14 A CA -0.069 51.946 52.037 -0.038 0.000 1.001 14 A CB 0.213 19.174 19.000 -0.065 0.000 1.112 14 A HN 0.125 nan 8.150 nan 0.000 0.556 15 T N -0.716 113.807 114.554 -0.052 0.000 2.883 15 T HA 0.355 5.849 4.350 1.907 0.000 0.296 15 T C -1.262 173.366 174.700 -0.120 0.000 1.117 15 T CA -0.597 61.381 62.100 -0.204 0.000 1.006 15 T CB 1.040 69.474 68.868 -0.724 0.000 1.191 15 T HN 0.323 nan 8.240 nan 0.000 0.508 16 D N 2.111 122.474 120.400 -0.062 0.000 2.455 16 D HA 0.089 5.874 4.640 1.907 0.000 0.241 16 D C 1.142 177.481 176.300 0.065 0.000 1.138 16 D CA 0.242 54.279 54.000 0.061 0.000 0.877 16 D CB 1.315 42.274 40.800 0.266 0.000 1.187 16 D HN 0.510 nan 8.370 nan 0.000 0.451 17 S N 1.818 117.584 115.700 0.111 0.000 2.374 17 S HA -0.252 5.362 4.470 1.907 0.000 0.227 17 S C 1.883 176.648 174.600 0.275 0.000 1.037 17 S CA 1.305 59.612 58.200 0.178 0.000 1.024 17 S CB -0.499 62.807 63.200 0.176 0.000 0.861 17 S HN 0.704 nan 8.310 nan 0.000 0.456 18 Y N 1.165 121.453 120.300 -0.020 0.000 2.333 18 Y HA 0.029 5.724 4.550 1.907 0.000 0.290 18 Y C 1.905 177.467 175.900 -0.564 0.000 1.144 18 Y CA 0.701 58.745 58.100 -0.093 0.000 1.228 18 Y CB -0.466 38.002 38.460 0.014 0.000 0.985 18 Y HN 0.090 nan 8.280 nan 0.000 0.542 19 K N 0.878 120.875 120.400 -0.672 0.000 2.280 19 K HA -0.076 5.389 4.320 1.907 0.000 0.202 19 K C 1.849 178.134 176.600 -0.526 0.000 1.047 19 K CA 1.128 56.801 56.287 -1.023 0.000 0.942 19 K CB -0.112 32.015 32.500 -0.621 0.000 0.739 19 K HN 0.242 nan 8.250 nan 0.000 0.457 20 V N 1.267 120.941 119.914 -0.399 0.000 2.594 20 V HA -0.219 5.046 4.120 1.907 0.000 0.253 20 V C 2.266 178.375 176.094 0.025 0.000 1.069 20 V CA 2.247 64.463 62.300 -0.140 0.000 1.082 20 V CB -0.700 30.942 31.823 -0.302 0.000 0.680 20 V HN 0.544 nan 8.190 nan 0.000 0.469 21 T N -4.061 110.420 114.554 -0.121 0.000 3.086 21 T HA 0.031 5.525 4.350 1.907 0.000 0.250 21 T C 1.357 176.082 174.700 0.042 0.000 1.074 21 T CA 0.333 62.391 62.100 -0.069 0.000 0.988 21 T CB -0.493 68.289 68.868 -0.144 0.000 0.988 21 T HN 0.627 nan 8.240 nan 0.000 0.530 22 H N -0.014 119.081 119.070 0.041 0.000 2.502 22 H HA 0.050 5.751 4.556 1.907 0.000 0.283 22 H C 1.921 177.334 175.328 0.142 0.000 1.015 22 H CA 1.240 57.277 56.048 -0.019 0.000 1.298 22 H CB -0.140 29.608 29.762 -0.023 0.000 1.411 22 H HN 0.710 nan 8.280 nan 0.000 0.556 23 Y N 1.266 121.725 120.300 0.264 0.000 2.315 23 Y HA -0.100 5.595 4.550 1.907 0.000 0.288 23 Y C 1.625 177.700 175.900 0.293 0.000 1.154 23 Y CA 0.671 58.955 58.100 0.307 0.000 1.229 23 Y CB -0.236 38.155 38.460 -0.116 0.000 0.980 23 Y HN -0.115 nan 8.280 nan 0.000 0.540 24 K N 0.312 120.366 120.400 -0.577 0.000 2.486 24 K HA -0.025 5.440 4.320 1.907 0.000 0.194 24 K C 1.398 177.893 176.600 -0.175 0.000 1.033 24 K CA 0.950 56.976 56.287 -0.434 0.000 1.004 24 K CB -0.005 32.150 32.500 -0.575 0.000 0.798 24 K HN 0.622 nan 8.250 nan 0.000 0.495 25 Q N -1.025 118.704 119.800 -0.119 0.000 2.391 25 Q HA 0.093 5.578 4.340 1.907 0.000 0.243 25 Q C -0.138 175.768 176.000 -0.157 0.000 0.874 25 Q CA -0.116 55.585 55.803 -0.171 0.000 0.950 25 Q CB 0.301 28.878 28.738 -0.267 0.000 1.103 25 Q HN 0.214 nan 8.270 nan 0.000 0.544 26 Y N 2.345 122.670 120.300 0.042 0.000 2.607 26 Y HA 0.006 5.700 4.550 1.907 0.000 0.348 26 Y C -1.788 174.088 175.900 -0.040 0.000 1.261 26 Y CA -1.625 56.496 58.100 0.035 0.000 1.480 26 Y CB -0.190 38.363 38.460 0.154 0.000 1.358 26 Y HN 0.018 nan 8.280 nan 0.000 0.630 27 P HA 0.027 nan 4.420 nan 0.000 0.265 27 P C -2.472 174.801 177.300 -0.045 0.000 1.193 27 P CA -0.806 62.300 63.100 0.010 0.000 0.765 27 P CB 0.061 31.759 31.700 -0.004 0.000 0.823 28 P HA -0.078 nan 4.420 nan 0.000 0.267 28 P C -0.151 177.079 177.300 -0.116 0.000 1.195 28 P CA 0.624 63.672 63.100 -0.087 0.000 0.773 28 P CB -0.082 31.585 31.700 -0.055 0.000 0.837 29 N N -2.391 116.222 118.700 -0.145 0.000 2.776 29 N HA -0.137 5.748 4.740 1.907 0.000 0.250 29 N C -0.831 174.577 175.510 -0.170 0.000 1.112 29 N CA 0.719 53.690 53.050 -0.133 0.000 0.733 29 N CB -1.981 36.457 38.487 -0.082 0.000 1.097 29 N HN 0.347 nan 8.380 nan 0.000 0.558 30 T N -0.223 114.159 114.554 -0.286 0.000 2.743 30 T HA 0.360 5.855 4.350 1.907 0.000 0.293 30 T C 1.239 175.769 174.700 -0.284 0.000 0.945 30 T CA -0.039 61.889 62.100 -0.287 0.000 1.030 30 T CB 1.223 69.890 68.868 -0.334 0.000 0.912 30 T HN 0.324 nan 8.240 nan 0.000 0.483 31 S N 2.431 118.056 115.700 -0.126 0.000 2.512 31 S HA 0.248 5.862 4.470 1.907 0.000 0.216 31 S C 0.398 175.012 174.600 0.025 0.000 1.006 31 S CA -0.446 57.734 58.200 -0.033 0.000 0.915 31 S CB 0.044 63.232 63.200 -0.019 0.000 0.824 31 S HN 0.619 nan 8.310 nan 0.000 0.497 32 K N 0.584 120.985 120.400 0.002 0.000 2.550 32 K HA 0.597 6.061 4.320 1.907 0.000 0.252 32 K C -2.074 174.540 176.600 0.024 0.000 0.943 32 K CA -0.601 55.712 56.287 0.044 0.000 0.806 32 K CB 2.199 34.750 32.500 0.085 0.000 1.289 32 K HN -0.020 nan 8.250 nan 0.000 0.435 33 V N 4.722 124.665 119.914 0.049 0.000 2.487 33 V HA 0.443 5.708 4.120 1.907 0.000 0.298 33 V C -1.422 174.789 176.094 0.195 0.000 1.028 33 V CA -0.716 61.622 62.300 0.062 0.000 0.860 33 V CB 1.221 33.000 31.823 -0.073 0.000 0.991 33 V HN 0.781 nan 8.190 nan 0.000 0.427 34 Y N 3.511 123.886 120.300 0.125 0.000 2.350 34 Y HA 0.734 6.429 4.550 1.907 0.000 0.338 34 Y C -0.025 175.947 175.900 0.121 0.000 0.961 34 Y CA -0.012 58.182 58.100 0.156 0.000 1.100 34 Y CB 1.961 40.575 38.460 0.256 0.000 1.179 34 Y HN 0.647 nan 8.280 nan 0.000 0.454 35 S N 4.917 120.476 115.700 -0.235 0.000 2.627 35 S HA 0.631 6.246 4.470 1.907 0.000 0.283 35 S C -1.833 172.440 174.600 -0.545 0.000 1.127 35 S CA -0.700 57.296 58.200 -0.339 0.000 0.863 35 S CB 1.767 64.687 63.200 -0.467 0.000 1.121 35 S HN 0.695 nan 8.310 nan 0.000 0.479 36 Y N -0.462 119.381 120.300 -0.761 0.000 2.597 36 Y HA 0.819 6.513 4.550 1.907 0.000 0.340 36 Y C -1.778 173.754 175.900 -0.613 0.000 1.097 36 Y CA -1.521 56.228 58.100 -0.585 0.000 1.037 36 Y CB 0.894 39.169 38.460 -0.308 0.000 1.305 36 Y HN 0.584 nan 8.280 nan 0.000 0.463 37 F N 2.754 122.224 119.950 -0.799 0.000 2.495 37 F HA 0.661 6.331 4.527 1.906 0.000 0.327 37 F C -0.882 174.708 175.800 -0.350 0.000 1.103 37 F CA -0.357 57.203 58.000 -0.734 0.000 0.949 37 F CB 1.494 39.720 39.000 -1.290 0.000 1.142 37 F HN 0.789 nan 8.300 nan 0.000 0.457 38 E N 3.455 123.209 120.200 -0.744 0.000 2.429 38 E HA 0.463 5.958 4.350 1.907 0.000 0.276 38 E C -1.822 174.469 176.600 -0.515 0.000 0.953 38 E CA -1.164 55.027 56.400 -0.349 0.000 0.787 38 E CB 1.481 31.175 29.700 -0.011 0.000 1.307 38 E HN 0.513 nan 8.360 nan 0.000 0.458 39 C N 2.233 121.428 119.300 -0.175 0.000 2.135 39 C HA 0.373 5.977 4.460 1.907 0.000 0.345 39 C C 0.556 175.516 174.990 -0.051 0.000 1.067 39 C CA -0.483 58.482 59.018 -0.088 0.000 1.517 39 C CB -1.529 26.244 27.740 0.055 0.000 1.923 39 C HN 0.568 nan 8.230 nan 0.000 0.466 40 R N 1.748 122.200 120.500 -0.080 0.000 2.698 40 R HA 0.049 5.533 4.340 1.907 0.000 0.266 40 R C 0.784 177.082 176.300 -0.004 0.000 1.026 40 R CA 0.333 56.411 56.100 -0.035 0.000 1.102 40 R CB 0.543 30.815 30.300 -0.047 0.000 0.978 40 R HN 0.732 nan 8.270 nan 0.000 0.436 55 E N 1.116 121.385 120.200 0.116 0.000 2.418 55 E HA -0.089 5.406 4.350 1.907 0.000 0.197 55 E C 0.282 176.931 176.600 0.081 0.000 1.026 55 E CA 0.855 57.307 56.400 0.087 0.000 0.862 55 E CB 0.378 30.110 29.700 0.054 0.000 0.799 55 E HN 0.676 nan 8.360 nan 0.000 0.518 56 E N 0.481 120.736 120.200 0.092 0.000 2.331 56 E HA 0.341 5.836 4.350 1.907 0.000 0.275 56 E C -0.783 175.871 176.600 0.090 0.000 0.895 56 E CA -0.928 55.510 56.400 0.063 0.000 0.753 56 E CB 1.718 31.439 29.700 0.035 0.000 1.216 56 E HN -0.086 nan 8.360 nan 0.000 0.434 57 T N -1.088 113.513 114.554 0.079 0.000 2.856 57 T HA 0.469 5.964 4.350 1.907 0.000 0.283 57 T C -0.146 174.623 174.700 0.116 0.000 1.008 57 T CA -0.826 61.345 62.100 0.118 0.000 0.997 57 T CB 1.398 70.363 68.868 0.160 0.000 0.992 57 T HN 0.290 nan 8.240 nan 0.000 0.454 58 V N 3.831 123.813 119.914 0.113 0.000 2.408 58 V HA 0.281 5.546 4.120 1.907 0.000 0.267 58 V C -0.076 176.130 176.094 0.187 0.000 1.047 58 V CA -0.725 61.638 62.300 0.106 0.000 0.937 58 V CB -0.317 31.520 31.823 0.023 0.000 0.999 58 V HN 0.859 nan 8.190 nan 0.000 0.472 59 F N 7.816 127.821 119.950 0.092 0.000 2.466 59 F HA 0.498 6.168 4.527 1.906 0.000 0.363 59 F C -0.542 175.340 175.800 0.136 0.000 1.109 59 F CA -0.448 57.622 58.000 0.116 0.000 1.161 59 F CB -0.005 39.059 39.000 0.106 0.000 1.117 59 F HN 0.532 nan 8.300 nan 0.000 0.539 60 Y N 4.393 124.292 120.300 -0.669 0.000 2.482 60 Y HA 0.528 6.224 4.550 1.910 0.000 0.334 60 Y C 0.081 175.668 175.900 -0.521 0.000 1.091 60 Y CA -0.667 57.101 58.100 -0.553 0.000 1.027 60 Y CB 1.934 40.200 38.460 -0.324 0.000 1.306 60 Y HN 0.704 nan 8.280 nan 0.000 0.446 61 G N 3.412 111.494 108.800 -1.198 0.000 2.284 61 G HA2 -0.266 4.839 3.960 1.907 0.000 0.201 61 G HA3 -0.266 4.839 3.960 1.907 0.000 0.201 61 G C 0.485 175.127 174.900 -0.430 0.000 0.998 61 G CA 0.161 44.714 45.100 -0.913 0.000 0.651 61 G HN 0.942 nan 8.290 nan 0.000 0.489 62 L N 1.362 122.302 121.223 -0.471 0.000 2.012 62 L HA 0.055 5.539 4.340 1.907 0.000 0.210 62 L C 2.702 179.455 176.870 -0.195 0.000 1.073 62 L CA 3.360 57.999 54.840 -0.334 0.000 0.748 62 L CB -0.653 41.223 42.059 -0.304 0.000 0.891 62 L HN 0.512 nan 8.230 nan 0.000 0.431 63 Q N -1.901 117.842 119.800 -0.093 0.000 2.173 63 Q HA -0.328 5.157 4.340 1.907 0.000 0.208 63 Q C 2.263 178.120 176.000 -0.238 0.000 0.989 63 Q CA 2.381 58.117 55.803 -0.112 0.000 0.872 63 Q CB -0.497 28.182 28.738 -0.099 0.000 0.909 63 Q HN 0.687 nan 8.270 nan 0.000 0.420 64 Y N 0.508 120.574 120.300 -0.391 0.000 2.128 64 Y HA -0.245 5.450 4.550 1.909 0.000 0.284 64 Y C 1.731 177.295 175.900 -0.560 0.000 1.154 64 Y CA 2.000 59.733 58.100 -0.611 0.000 1.149 64 Y CB -0.247 37.925 38.460 -0.480 0.000 0.976 64 Y HN 0.127 nan 8.280 nan 0.000 0.505 65 I N -0.332 120.009 120.570 -0.381 0.000 2.202 65 I HA -0.319 4.996 4.170 1.907 0.000 0.242 65 I C 2.397 178.327 176.117 -0.310 0.000 1.091 65 I CA 1.189 62.293 61.300 -0.328 0.000 1.368 65 I CB -0.517 37.408 38.000 -0.125 0.000 1.058 65 I HN 0.255 nan 8.210 nan 0.000 0.410 66 L N 0.511 121.584 121.223 -0.249 0.000 1.997 66 L HA -0.302 5.183 4.340 1.907 0.000 0.216 66 L C 2.390 179.209 176.870 -0.085 0.000 1.074 66 L CA 1.681 56.431 54.840 -0.150 0.000 0.763 66 L CB -0.947 41.093 42.059 -0.031 0.000 0.890 66 L HN 0.396 nan 8.230 nan 0.000 0.434 67 N N -0.004 118.607 118.700 -0.148 0.000 2.109 67 N HA -0.183 5.702 4.740 1.907 0.000 0.188 67 N C 1.888 177.276 175.510 -0.203 0.000 1.034 67 N CA 1.216 54.210 53.050 -0.094 0.000 0.846 67 N CB -0.085 38.421 38.487 0.032 0.000 1.010 67 N HN 0.304 nan 8.380 nan 0.000 0.425 68 K N -0.202 119.871 120.400 -0.547 0.000 2.097 68 K HA -0.104 5.360 4.320 1.907 0.000 0.205 68 K C 1.115 177.224 176.600 -0.819 0.000 1.050 68 K CA 1.325 57.098 56.287 -0.856 0.000 0.938 68 K CB 0.103 31.561 32.500 -1.736 0.000 0.718 68 K HN 0.273 nan 8.250 nan 0.000 0.442 69 Y N -1.701 118.354 120.300 -0.408 0.000 2.589 69 Y HA 0.171 5.865 4.550 1.907 0.000 0.271 69 Y C 1.563 177.397 175.900 -0.109 0.000 1.107 69 Y CA -0.374 57.485 58.100 -0.402 0.000 1.273 69 Y CB 0.701 38.854 38.460 -0.513 0.000 1.266 69 Y HN -0.124 nan 8.280 nan 0.000 0.504 70 L N 0.466 121.706 121.223 0.030 0.000 2.575 70 L HA 0.126 5.610 4.340 1.907 0.000 0.228 70 L C 0.444 177.456 176.870 0.236 0.000 1.075 70 L CA 0.087 54.960 54.840 0.055 0.000 0.867 70 L CB 0.254 42.153 42.059 -0.267 0.000 1.097 70 L HN 0.007 nan 8.230 nan 0.000 0.485 71 K N 0.503 121.040 120.400 0.228 0.000 2.118 71 K HA 0.587 6.051 4.320 1.907 0.000 0.264 71 K C 0.536 177.127 176.600 -0.015 0.000 1.000 71 K CA 0.182 56.605 56.287 0.227 0.000 0.929 71 K CB 1.280 33.871 32.500 0.153 0.000 1.021 71 K HN 0.023 nan 8.250 nan 0.000 0.463 72 G N 1.339 110.018 108.800 -0.203 0.000 2.593 72 G HA2 -0.333 4.772 3.960 1.907 0.000 0.237 72 G HA3 -0.333 4.772 3.960 1.907 0.000 0.237 72 G C -1.058 173.386 174.900 -0.759 0.000 1.312 72 G CA 0.149 44.946 45.100 -0.505 0.000 0.896 72 G HN 0.899 nan 8.290 nan 0.000 0.574 73 K N 0.333 120.467 120.400 -0.444 0.000 2.273 73 K HA 0.493 5.957 4.320 1.907 0.000 0.287 73 K C 1.336 177.915 176.600 -0.035 0.000 1.089 73 K CA 0.176 56.356 56.287 -0.179 0.000 0.909 73 K CB 0.524 33.056 32.500 0.054 0.000 1.123 73 K HN 1.232 nan 8.250 nan 0.000 0.473 74 V N 1.342 121.267 119.914 0.019 0.000 3.605 74 V HA 0.218 5.483 4.120 1.907 0.000 0.284 74 V C 0.033 176.168 176.094 0.068 0.000 1.386 74 V CA -0.349 61.999 62.300 0.080 0.000 1.053 74 V CB 0.607 32.515 31.823 0.141 0.000 0.857 74 V HN 0.271 nan 8.190 nan 0.000 0.436 75 V N 2.173 122.143 119.914 0.093 0.000 2.495 75 V HA 0.760 6.025 4.120 1.907 0.000 0.298 75 V C 0.127 176.265 176.094 0.073 0.000 1.031 75 V CA 0.440 62.788 62.300 0.080 0.000 0.871 75 V CB 1.420 33.374 31.823 0.219 0.000 0.988 75 V HN 0.635 nan 8.190 nan 0.000 0.432 76 T N 0.472 115.045 114.554 0.031 0.000 2.901 76 T HA 0.478 5.972 4.350 1.907 0.000 0.293 76 T C 0.592 175.308 174.700 0.027 0.000 1.084 76 T CA -0.632 61.488 62.100 0.033 0.000 1.008 76 T CB 2.192 71.069 68.868 0.016 0.000 1.170 76 T HN 0.515 nan 8.240 nan 0.000 0.509 77 K N 0.612 121.032 120.400 0.033 0.000 2.147 77 K HA -0.111 5.353 4.320 1.907 0.000 0.205 77 K C 1.644 178.250 176.600 0.011 0.000 1.049 77 K CA 1.850 58.157 56.287 0.034 0.000 0.936 77 K CB -0.378 32.142 32.500 0.033 0.000 0.722 77 K HN 0.636 nan 8.250 nan 0.000 0.446 78 E N 0.692 120.889 120.200 -0.006 0.000 2.072 78 E HA -0.077 5.418 4.350 1.907 0.000 0.191 78 E C 1.750 178.313 176.600 -0.061 0.000 0.985 78 E CA 1.428 57.811 56.400 -0.028 0.000 0.801 78 E CB -0.000 29.684 29.700 -0.027 0.000 0.750 78 E HN 0.334 nan 8.360 nan 0.000 0.452 79 K N 0.093 120.450 120.400 -0.072 0.000 2.097 79 K HA -0.059 5.406 4.320 1.907 0.000 0.205 79 K C 2.143 178.648 176.600 -0.159 0.000 1.050 79 K CA 1.013 57.220 56.287 -0.134 0.000 0.938 79 K CB -0.185 32.228 32.500 -0.145 0.000 0.718 79 K HN 0.101 nan 8.250 nan 0.000 0.442 80 I N 1.011 121.535 120.570 -0.075 0.000 2.127 80 I HA -0.324 4.990 4.170 1.907 0.000 0.241 80 I C 2.694 178.802 176.117 -0.015 0.000 1.075 80 I CA 1.246 62.556 61.300 0.017 0.000 1.334 80 I CB -0.197 37.888 38.000 0.142 0.000 1.040 80 I HN 0.151 nan 8.210 nan 0.000 0.405 81 Q N 1.064 120.854 119.800 -0.018 0.000 2.061 81 Q HA -0.279 5.206 4.340 1.907 0.000 0.204 81 Q C 2.032 177.963 176.000 -0.116 0.000 0.984 81 Q CA 2.081 57.864 55.803 -0.034 0.000 0.846 81 Q CB -0.291 28.436 28.738 -0.018 0.000 0.902 81 Q HN 0.508 nan 8.270 nan 0.000 0.421 82 E N -0.919 119.189 120.200 -0.153 0.000 2.058 82 E HA -0.236 5.258 4.350 1.907 0.000 0.194 82 E C 1.774 178.173 176.600 -0.334 0.000 0.997 82 E CA 1.221 57.497 56.400 -0.206 0.000 0.801 82 E CB -0.283 29.302 29.700 -0.192 0.000 0.746 82 E HN 0.415 nan 8.360 nan 0.000 0.450 83 A N 1.750 124.302 122.820 -0.446 0.000 1.883 83 A HA -0.241 5.224 4.320 1.907 0.000 0.217 83 A C 2.182 179.272 177.584 -0.823 0.000 1.186 83 A CA 1.902 53.489 52.037 -0.750 0.000 0.624 83 A CB -0.648 17.879 19.000 -0.788 0.000 0.822 83 A HN 0.277 nan 8.150 nan 0.000 0.444 84 K N -0.613 119.373 120.400 -0.691 0.000 2.059 84 K HA -0.264 5.201 4.320 1.907 0.000 0.212 84 K C 1.451 177.978 176.600 -0.122 0.000 1.050 84 K CA 2.071 58.189 56.287 -0.283 0.000 0.927 84 K CB -0.293 32.238 32.500 0.052 0.000 0.714 84 K HN 0.437 nan 8.250 nan 0.000 0.447 85 D N 0.020 120.331 120.400 -0.148 0.000 2.117 85 D HA -0.121 5.664 4.640 1.907 0.000 0.198 85 D C 2.015 178.247 176.300 -0.112 0.000 0.982 85 D CA 0.906 54.852 54.000 -0.091 0.000 0.828 85 D CB -0.258 40.486 40.800 -0.094 0.000 0.967 85 D HN 0.038 nan 8.370 nan 0.000 0.464 86 V N 0.434 120.199 119.914 -0.248 0.000 2.261 86 V HA -0.264 5.001 4.120 1.907 0.000 0.246 86 V C 2.108 178.113 176.094 -0.148 0.000 1.047 86 V CA 1.510 63.633 62.300 -0.294 0.000 1.015 86 V CB -0.727 30.780 31.823 -0.527 0.000 0.642 86 V HN 0.279 nan 8.190 nan 0.000 0.446 87 Y N -0.094 120.213 120.300 0.011 0.000 2.293 87 Y HA -0.216 5.478 4.550 1.907 0.000 0.291 87 Y C 2.542 178.629 175.900 0.312 0.000 1.137 87 Y CA 1.263 59.512 58.100 0.249 0.000 1.202 87 Y CB -0.164 38.478 38.460 0.302 0.000 0.990 87 Y HN 0.151 nan 8.280 nan 0.000 0.537 88 K N 0.944 121.524 120.400 0.299 0.000 2.103 88 K HA -0.174 5.290 4.320 1.907 0.000 0.207 88 K C 1.497 178.213 176.600 0.193 0.000 1.048 88 K CA 1.689 58.114 56.287 0.229 0.000 0.930 88 K CB -0.145 32.438 32.500 0.138 0.000 0.716 88 K HN 0.187 nan 8.250 nan 0.000 0.444 89 E N -1.091 119.196 120.200 0.146 0.000 2.170 89 E HA -0.113 5.382 4.350 1.907 0.000 0.191 89 E C 1.991 178.667 176.600 0.127 0.000 0.981 89 E CA 0.813 57.275 56.400 0.104 0.000 0.830 89 E CB -0.405 29.325 29.700 0.050 0.000 0.775 89 E HN 0.502 nan 8.360 nan 0.000 0.470 90 H N -0.201 118.892 119.070 0.040 0.000 2.357 90 H HA -0.022 5.678 4.556 1.907 0.000 0.301 90 H C 1.355 176.592 175.328 -0.153 0.000 1.082 90 H CA 1.454 57.452 56.048 -0.083 0.000 1.342 90 H CB -0.203 29.498 29.762 -0.102 0.000 1.389 90 H HN 0.039 nan 8.280 nan 0.000 0.511 91 F N -0.070 119.911 119.950 0.052 0.000 2.754 91 F HA 0.112 5.783 4.527 1.907 0.000 0.297 91 F C 0.738 176.541 175.800 0.005 0.000 1.122 91 F CA 0.214 58.198 58.000 -0.026 0.000 1.400 91 F CB 0.403 39.426 39.000 0.038 0.000 1.117 91 F HN 0.012 nan 8.300 nan 0.000 0.587 92 Q N 1.170 121.086 119.800 0.193 0.000 2.487 92 Q HA -0.254 5.230 4.340 1.907 0.000 0.279 92 Q C -1.004 175.076 176.000 0.134 0.000 1.228 92 Q CA 1.281 57.159 55.803 0.126 0.000 0.873 92 Q CB -1.886 26.896 28.738 0.073 0.000 1.260 92 Q HN 0.640 nan 8.270 nan 0.000 0.471 93 D N -1.751 118.753 120.400 0.174 0.000 2.766 93 D HA 0.153 5.937 4.640 1.907 0.000 0.244 93 D C -0.836 175.552 176.300 0.147 0.000 1.198 93 D CA -0.432 53.647 54.000 0.132 0.000 0.739 93 D CB 0.723 41.588 40.800 0.107 0.000 1.379 93 D HN -0.114 nan 8.370 nan 0.000 0.437 94 D N 2.037 122.503 120.400 0.109 0.000 2.352 94 D HA 0.015 5.800 4.640 1.907 0.000 0.236 94 D C 1.528 177.911 176.300 0.139 0.000 1.148 94 D CA 0.098 54.181 54.000 0.138 0.000 0.844 94 D CB 0.126 40.995 40.800 0.115 0.000 0.933 94 D HN 0.148 nan 8.370 nan 0.000 0.507 95 V N 0.401 120.349 119.914 0.057 0.000 2.794 95 V HA -0.129 5.135 4.120 1.907 0.000 0.260 95 V C 0.737 176.918 176.094 0.144 0.000 1.103 95 V CA 0.598 62.899 62.300 0.003 0.000 1.125 95 V CB -0.992 30.666 31.823 -0.275 0.000 0.702 95 V HN 0.240 nan 8.190 nan 0.000 0.494 96 F N 2.089 122.057 119.950 0.030 0.000 2.623 96 F HA 0.086 5.758 4.527 1.907 0.000 0.383 96 F C 0.736 176.498 175.800 -0.062 0.000 1.077 96 F CA -0.001 58.032 58.000 0.055 0.000 1.268 96 F CB -0.058 39.072 39.000 0.215 0.000 1.053 96 F HN 0.158 nan 8.300 nan 0.000 0.571 97 N N 5.148 123.148 118.700 -1.166 0.000 3.103 97 N HA -0.048 5.836 4.740 1.907 0.000 0.305 97 N C 1.193 175.955 175.510 -1.247 0.000 1.232 97 N CA 0.345 52.534 53.050 -1.435 0.000 1.190 97 N CB -0.419 36.799 38.487 -2.115 0.000 1.461 97 N HN 0.882 nan 8.380 nan 0.000 0.538 98 E N 1.608 121.268 120.200 -0.900 0.000 2.077 98 E HA -0.215 5.279 4.350 1.907 0.000 0.193 98 E C 1.063 177.541 176.600 -0.205 0.000 0.989 98 E CA 1.161 57.320 56.400 -0.403 0.000 0.800 98 E CB 0.252 29.944 29.700 -0.013 0.000 0.746 98 E HN 0.443 nan 8.360 nan 0.000 0.452 99 K N -0.306 119.966 120.400 -0.214 0.000 2.032 99 K HA -0.143 5.322 4.320 1.907 0.000 0.209 99 K C 2.218 178.760 176.600 -0.097 0.000 1.048 99 K CA 1.282 57.506 56.287 -0.106 0.000 0.927 99 K CB -0.407 32.041 32.500 -0.086 0.000 0.712 99 K HN 0.243 nan 8.250 nan 0.000 0.441 100 G N 0.269 108.877 108.800 -0.320 0.000 2.418 100 G HA2 -0.235 4.869 3.960 1.907 0.000 0.217 100 G HA3 -0.235 4.869 3.960 1.907 0.000 0.217 100 G C 1.127 175.999 174.900 -0.047 0.000 1.158 100 G CA 0.637 45.581 45.100 -0.259 0.000 0.771 100 G HN 0.364 nan 8.290 nan 0.000 0.545 101 W N 0.621 121.814 121.300 -0.179 0.000 2.379 101 W HA 0.043 5.848 4.660 1.907 0.000 0.307 101 W C 2.619 179.178 176.519 0.067 0.000 1.200 101 W CA 0.767 58.101 57.345 -0.019 0.000 1.297 101 W CB -0.211 29.178 29.460 -0.119 0.000 1.140 101 W HN 0.181 nan 8.180 nan 0.000 0.507 102 N N -0.858 117.991 118.700 0.248 0.000 2.149 102 N HA -0.297 5.587 4.740 1.907 0.000 0.188 102 N C 1.537 177.156 175.510 0.181 0.000 1.019 102 N CA 1.672 54.834 53.050 0.186 0.000 0.857 102 N CB -0.513 38.049 38.487 0.125 0.000 0.997 102 N HN 0.138 nan 8.380 nan 0.000 0.426 103 Y N 1.181 121.531 120.300 0.083 0.000 2.128 103 Y HA -0.177 5.517 4.550 1.907 0.000 0.284 103 Y C 1.816 177.788 175.900 0.121 0.000 1.154 103 Y CA 1.521 59.667 58.100 0.077 0.000 1.149 103 Y CB -0.250 38.257 38.460 0.077 0.000 0.976 103 Y HN 0.079 nan 8.280 nan 0.000 0.505 104 I N -0.727 119.982 120.570 0.232 0.000 2.286 104 I HA -0.278 5.037 4.170 1.907 0.000 0.248 104 I C 2.272 178.498 176.117 0.181 0.000 1.115 104 I CA 1.095 62.538 61.300 0.240 0.000 1.392 104 I CB -0.449 37.719 38.000 0.279 0.000 1.065 104 I HN 0.318 nan 8.210 nan 0.000 0.418 105 L N 0.976 122.303 121.223 0.173 0.000 1.976 105 L HA -0.208 5.277 4.340 1.907 0.000 0.209 105 L C 2.336 179.222 176.870 0.025 0.000 1.071 105 L CA 1.989 56.906 54.840 0.128 0.000 0.746 105 L CB -0.633 41.506 42.059 0.133 0.000 0.890 105 L HN 0.168 nan 8.230 nan 0.000 0.432 106 E N -0.853 119.326 120.200 -0.035 0.000 2.152 106 E HA -0.237 5.257 4.350 1.907 0.000 0.192 106 E C 2.038 178.509 176.600 -0.214 0.000 0.983 106 E CA 1.152 57.496 56.400 -0.093 0.000 0.818 106 E CB 0.008 29.664 29.700 -0.073 0.000 0.758 106 E HN 0.442 nan 8.360 nan 0.000 0.467 107 K N -0.324 119.836 120.400 -0.401 0.000 2.211 107 K HA -0.031 5.433 4.320 1.907 0.000 0.201 107 K C 0.627 176.766 176.600 -0.768 0.000 1.052 107 K CA 0.841 56.705 56.287 -0.705 0.000 0.973 107 K CB 0.302 32.078 32.500 -1.206 0.000 0.766 107 K HN 0.092 nan 8.250 nan 0.000 0.466 108 Y N 0.109 120.328 120.300 -0.136 0.000 2.641 108 Y HA 0.186 5.881 4.550 1.908 0.000 0.248 108 Y C -0.523 175.367 175.900 -0.017 0.000 1.170 108 Y CA -0.458 57.598 58.100 -0.075 0.000 1.201 108 Y CB 0.843 39.290 38.460 -0.022 0.000 1.232 108 Y HN 0.116 nan 8.280 nan 0.000 0.537 109 D N 1.105 121.555 120.400 0.083 0.000 2.708 109 D HA -0.201 5.583 4.640 1.907 0.000 0.236 109 D C 1.265 177.738 176.300 0.289 0.000 1.146 109 D CA 1.547 55.621 54.000 0.122 0.000 0.662 109 D CB -1.105 39.721 40.800 0.044 0.000 1.059 109 D HN 0.740 nan 8.370 nan 0.000 0.428 110 G N -0.472 108.489 108.800 0.268 0.000 2.162 110 G HA2 -0.348 4.756 3.960 1.907 0.000 0.260 110 G HA3 -0.348 4.756 3.960 1.907 0.000 0.260 110 G C 0.109 175.174 174.900 0.274 0.000 0.976 110 G CA 0.445 45.702 45.100 0.262 0.000 0.655 110 G HN 0.696 nan 8.290 nan 0.000 0.533 111 H N -0.327 118.834 119.070 0.153 0.000 2.527 111 H HA 0.562 6.263 4.556 1.908 0.000 0.321 111 H C 0.986 176.346 175.328 0.054 0.000 1.087 111 H CA -0.578 55.533 56.048 0.105 0.000 1.337 111 H CB 0.830 30.625 29.762 0.055 0.000 1.440 111 H HN 0.230 nan 8.280 nan 0.000 0.490 112 L N 6.069 127.389 121.223 0.162 0.000 2.433 112 L HA 0.162 5.646 4.340 1.907 0.000 0.275 112 L C -1.794 175.057 176.870 -0.031 0.000 1.128 112 L CA -1.737 53.158 54.840 0.092 0.000 0.875 112 L CB 0.376 42.556 42.059 0.201 0.000 1.171 112 L HN 0.490 nan 8.230 nan 0.000 0.463 113 P HA 0.210 nan 4.420 nan 0.000 0.244 113 P C -0.714 176.497 177.300 -0.149 0.000 1.769 113 P CA 0.182 63.077 63.100 -0.342 0.000 1.102 113 P CB 0.014 31.381 31.700 -0.555 0.000 1.937 114 I N 1.088 121.664 120.570 0.010 0.000 2.722 114 I HA 0.361 5.676 4.170 1.907 0.000 0.295 114 I C 0.086 176.323 176.117 0.201 0.000 1.161 114 I CA -0.896 60.460 61.300 0.094 0.000 1.032 114 I CB 2.937 41.024 38.000 0.145 0.000 1.244 114 I HN 0.158 nan 8.210 nan 0.000 0.421 115 E N 5.925 126.216 120.200 0.152 0.000 2.176 115 E HA 0.644 6.139 4.350 1.907 0.000 0.267 115 E C -1.524 175.181 176.600 0.175 0.000 0.893 115 E CA -0.529 55.974 56.400 0.172 0.000 0.761 115 E CB 1.886 31.646 29.700 0.100 0.000 1.133 115 E HN 0.465 nan 8.360 nan 0.000 0.409 116 I N 4.384 125.084 120.570 0.217 0.000 2.436 116 I HA 0.337 5.652 4.170 1.907 0.000 0.289 116 I C -0.453 175.758 176.117 0.157 0.000 1.010 116 I CA -0.729 60.673 61.300 0.170 0.000 1.098 116 I CB 1.671 39.732 38.000 0.102 0.000 1.266 116 I HN 0.296 nan 8.210 nan 0.000 0.434 117 K N 5.362 125.849 120.400 0.146 0.000 2.221 117 K HA 0.894 6.358 4.320 1.907 0.000 0.258 117 K C -0.948 175.741 176.600 0.149 0.000 0.944 117 K CA -0.679 55.682 56.287 0.124 0.000 0.823 117 K CB 2.656 35.207 32.500 0.084 0.000 1.113 117 K HN 0.668 nan 8.250 nan 0.000 0.431 118 A N 1.656 124.550 122.820 0.123 0.000 2.572 118 A HA 0.456 5.921 4.320 1.907 0.000 0.295 118 A C -1.128 176.419 177.584 -0.061 0.000 1.072 118 A CA -0.722 51.345 52.037 0.050 0.000 0.691 118 A CB 1.582 20.659 19.000 0.128 0.000 1.291 118 A HN 0.463 nan 8.150 nan 0.000 0.404 119 V N 1.814 121.546 119.914 -0.303 0.000 2.924 119 V HA 0.344 5.609 4.120 1.907 0.000 0.305 119 V C -2.160 173.735 176.094 -0.332 0.000 1.073 119 V CA -1.367 60.722 62.300 -0.352 0.000 1.098 119 V CB 1.080 32.681 31.823 -0.370 0.000 1.000 119 V HN 0.789 nan 8.190 nan 0.000 0.484 120 P HA 0.125 nan 4.420 nan 0.000 0.269 120 P C -0.734 176.309 177.300 -0.429 0.000 1.209 120 P CA -0.061 62.551 63.100 -0.813 0.000 0.776 120 P CB 0.307 31.311 31.700 -1.161 0.000 0.876 121 E N 1.343 121.232 120.200 -0.519 0.000 2.384 121 E HA 0.234 5.728 4.350 1.907 0.000 0.266 121 E C 1.184 177.763 176.600 -0.035 0.000 1.012 121 E CA 0.843 57.203 56.400 -0.067 0.000 0.901 121 E CB 0.053 29.767 29.700 0.024 0.000 0.967 121 E HN 0.800 nan 8.360 nan 0.000 0.435 122 G N 3.213 112.066 108.800 0.087 0.000 2.254 122 G HA2 -0.273 4.831 3.960 1.907 0.000 0.225 122 G HA3 -0.273 4.831 3.960 1.907 0.000 0.225 122 G C 0.083 175.079 174.900 0.160 0.000 1.003 122 G CA -0.481 44.641 45.100 0.036 0.000 0.622 122 G HN 0.448 nan 8.290 nan 0.000 0.507 123 F N 1.157 121.100 119.950 -0.011 0.000 2.629 123 F HA 0.404 6.076 4.527 1.909 0.000 0.369 123 F C 1.044 176.841 175.800 -0.005 0.000 1.125 123 F CA 0.047 58.045 58.000 -0.002 0.000 1.330 123 F CB 1.091 40.090 39.000 -0.002 0.000 1.071 123 F HN 0.009 nan 8.300 nan 0.000 0.595 124 V N 6.393 126.299 119.914 -0.014 0.000 2.313 124 V HA 0.334 5.599 4.120 1.907 0.000 0.278 124 V C -0.048 175.942 176.094 -0.173 0.000 1.017 124 V CA -0.568 61.706 62.300 -0.045 0.000 0.823 124 V CB 0.875 32.666 31.823 -0.052 0.000 1.010 124 V HN 0.348 nan 8.190 nan 0.000 0.443 125 I N 6.539 126.998 120.570 -0.184 0.000 2.509 125 I HA 0.486 5.801 4.170 1.907 0.000 0.293 125 I C -2.503 173.497 176.117 -0.194 0.000 1.020 125 I CA -2.632 58.414 61.300 -0.424 0.000 1.088 125 I CB 2.195 39.978 38.000 -0.360 0.000 1.267 125 I HN 0.323 nan 8.210 nan 0.000 0.430 126 P HA 0.080 nan 4.420 nan 0.000 0.267 126 P C -0.129 177.169 177.300 -0.004 0.000 1.200 126 P CA -0.296 62.792 63.100 -0.020 0.000 0.772 126 P CB 0.390 32.118 31.700 0.047 0.000 0.855 127 R N 1.850 122.370 120.500 0.033 0.000 2.697 127 R HA 0.185 5.669 4.340 1.907 0.000 0.265 127 R C 1.399 177.715 176.300 0.028 0.000 1.009 127 R CA 1.247 57.369 56.100 0.037 0.000 1.099 127 R CB -1.097 29.233 30.300 0.050 0.000 0.965 127 R HN 0.930 nan 8.270 nan 0.000 0.428 128 G N 1.679 110.492 108.800 0.021 0.000 2.137 128 G HA2 -0.288 4.817 3.960 1.907 0.000 0.237 128 G HA3 -0.288 4.817 3.960 1.907 0.000 0.237 128 G C -0.236 174.676 174.900 0.021 0.000 1.002 128 G CA 0.214 45.327 45.100 0.023 0.000 0.702 128 G HN 0.641 nan 8.290 nan 0.000 0.515 129 N N -1.434 117.276 118.700 0.017 0.000 2.335 129 N HA 0.565 6.449 4.740 1.907 0.000 0.304 129 N C -0.024 175.497 175.510 0.019 0.000 1.135 129 N CA -0.519 52.534 53.050 0.005 0.000 0.817 129 N CB 2.652 41.131 38.487 -0.014 0.000 1.294 129 N HN 0.263 nan 8.380 nan 0.000 0.497 130 V N 3.041 122.954 119.914 -0.002 0.000 2.585 130 V HA 0.076 5.341 4.120 1.907 0.000 0.296 130 V C 0.415 176.505 176.094 -0.008 0.000 1.035 130 V CA 0.664 62.982 62.300 0.030 0.000 1.084 130 V CB -0.077 31.721 31.823 -0.041 0.000 0.953 130 V HN 0.633 nan 8.190 nan 0.000 0.483 131 L N 6.352 127.580 121.223 0.008 0.000 2.445 131 L HA 0.416 5.901 4.340 1.907 0.000 0.207 131 L C 0.177 176.991 176.870 -0.095 0.000 1.053 131 L CA 0.281 55.051 54.840 -0.116 0.000 0.841 131 L CB 0.129 42.214 42.059 0.043 0.000 1.074 131 L HN 0.750 nan 8.230 nan 0.000 0.479 132 F N -1.424 118.519 119.950 -0.011 0.000 2.645 132 F HA 0.680 6.351 4.527 1.906 0.000 0.310 132 F C -0.599 175.235 175.800 0.056 0.000 1.102 132 F CA -0.967 57.028 58.000 -0.007 0.000 0.952 132 F CB 1.222 40.233 39.000 0.018 0.000 1.326 132 F HN -0.197 nan 8.300 nan 0.000 0.456 133 T N -0.407 114.261 114.554 0.190 0.000 2.907 133 T HA 0.849 6.343 4.350 1.907 0.000 0.292 133 T C -1.452 173.275 174.700 0.044 0.000 1.043 133 T CA -0.845 61.218 62.100 -0.063 0.000 1.003 133 T CB 1.720 70.423 68.868 -0.274 0.000 1.084 133 T HN 0.818 nan 8.240 nan 0.000 0.483 134 V N 2.178 122.035 119.914 -0.096 0.000 2.760 134 V HA 0.738 6.002 4.120 1.907 0.000 0.309 134 V C -0.639 175.424 176.094 -0.052 0.000 1.077 134 V CA -0.867 61.471 62.300 0.062 0.000 0.910 134 V CB 1.547 33.556 31.823 0.310 0.000 1.008 134 V HN 1.180 nan 8.190 nan 0.000 0.424 135 E N 2.447 122.669 120.200 0.036 0.000 2.390 135 E HA 0.448 5.943 4.350 1.907 0.000 0.277 135 E C -1.206 175.430 176.600 0.060 0.000 0.939 135 E CA -1.085 55.367 56.400 0.087 0.000 0.769 135 E CB 2.219 32.043 29.700 0.206 0.000 1.251 135 E HN 0.780 nan 8.360 nan 0.000 0.450 136 N N -0.478 118.236 118.700 0.023 0.000 2.530 136 N HA 0.154 6.039 4.740 1.907 0.000 0.277 136 N C 0.475 175.982 175.510 -0.005 0.000 1.168 136 N CA -0.226 52.795 53.050 -0.048 0.000 0.979 136 N CB 1.392 39.795 38.487 -0.139 0.000 1.141 136 N HN 0.606 nan 8.380 nan 0.000 0.459 137 T N -3.592 110.941 114.554 -0.035 0.000 3.054 137 T HA 0.089 5.583 4.350 1.907 0.000 0.255 137 T C -0.216 174.491 174.700 0.012 0.000 1.035 137 T CA -0.194 61.902 62.100 -0.007 0.000 0.941 137 T CB -0.106 68.743 68.868 -0.031 0.000 1.026 137 T HN 0.619 nan 8.240 nan 0.000 0.533 138 D N 1.329 121.734 120.400 0.008 0.000 2.757 138 D HA 0.334 6.118 4.640 1.907 0.000 0.249 138 D C -2.113 174.221 176.300 0.057 0.000 1.168 138 D CA -2.400 51.655 54.000 0.092 0.000 0.870 138 D CB 2.787 43.719 40.800 0.221 0.000 1.411 138 D HN -0.197 nan 8.370 nan 0.000 0.525 139 P HA -0.128 nan 4.420 nan 0.000 0.219 139 P C 0.873 178.228 177.300 0.091 0.000 1.146 139 P CA 0.837 63.975 63.100 0.063 0.000 0.808 139 P CB 0.559 32.286 31.700 0.046 0.000 0.779 140 E N -0.861 119.354 120.200 0.025 0.000 2.265 140 E HA -0.096 5.398 4.350 1.907 0.000 0.196 140 E C 0.990 177.586 176.600 -0.006 0.000 0.996 140 E CA 0.745 57.120 56.400 -0.042 0.000 0.832 140 E CB -0.650 28.736 29.700 -0.523 0.000 0.756 140 E HN 0.296 nan 8.360 nan 0.000 0.491 141 C N 1.573 120.770 119.300 -0.171 0.000 2.470 141 C HA 0.155 5.759 4.460 1.907 0.000 0.311 141 C C 1.764 176.259 174.990 -0.826 0.000 1.387 141 C CA -1.055 57.540 59.018 -0.706 0.000 1.783 141 C CB -2.188 25.203 27.740 -0.581 0.000 2.416 141 C HN 0.468 nan 8.230 nan 0.000 0.558 142 Y N 0.002 120.090 120.300 -0.353 0.000 2.241 142 Y HA -0.206 5.488 4.550 1.907 0.000 0.286 142 Y C 2.141 177.861 175.900 -0.300 0.000 1.166 142 Y CA 1.585 59.527 58.100 -0.264 0.000 1.203 142 Y CB -0.864 37.495 38.460 -0.169 0.000 0.977 142 Y HN 0.646 nan 8.280 nan 0.000 0.529 143 W N 0.017 120.756 121.300 -0.934 0.000 2.905 143 W HA 0.160 5.965 4.660 1.907 0.000 0.251 143 W C 1.077 177.540 176.519 -0.094 0.000 1.305 143 W CA 0.117 57.190 57.345 -0.453 0.000 1.465 143 W CB -0.714 28.444 29.460 -0.503 0.000 1.122 143 W HN 0.267 nan 8.180 nan 0.000 0.659 144 L N 2.266 122.963 121.223 -0.877 0.000 2.307 144 L HA 0.072 5.557 4.340 1.907 0.000 0.211 144 L C 2.324 179.108 176.870 -0.143 0.000 1.099 144 L CA 1.954 56.348 54.840 -0.743 0.000 0.816 144 L CB -0.844 40.374 42.059 -1.400 0.000 0.952 144 L HN -0.220 nan 8.230 nan 0.000 0.455 145 T N 0.428 114.918 114.554 -0.107 0.000 2.624 145 T HA -0.199 5.296 4.350 1.907 0.000 0.268 145 T C 1.554 176.412 174.700 0.262 0.000 1.041 145 T CA 2.183 64.336 62.100 0.088 0.000 1.159 145 T CB -0.294 68.630 68.868 0.094 0.000 0.863 145 T HN 0.338 nan 8.240 nan 0.000 0.434 146 N N -0.251 118.640 118.700 0.319 0.000 2.422 146 N HA 0.059 5.944 4.740 1.907 0.000 0.181 146 N C 1.203 176.907 175.510 0.322 0.000 1.080 146 N CA 0.001 53.281 53.050 0.382 0.000 0.893 146 N CB -0.187 38.574 38.487 0.457 0.000 0.973 146 N HN 0.456 nan 8.380 nan 0.000 0.456 147 W N 2.051 123.486 121.300 0.224 0.000 2.318 147 W HA -0.163 5.642 4.660 1.907 0.000 0.313 147 W C 1.095 177.713 176.519 0.165 0.000 1.221 147 W CA 1.271 58.771 57.345 0.258 0.000 1.266 147 W CB -0.175 29.521 29.460 0.394 0.000 1.150 147 W HN 0.083 nan 8.180 nan 0.000 0.496 148 I N -1.244 119.546 120.570 0.366 0.000 3.812 148 I HA 0.080 5.394 4.170 1.907 0.000 0.320 148 I C 1.819 177.886 176.117 -0.083 0.000 1.276 148 I CA 0.630 62.048 61.300 0.196 0.000 1.164 148 I CB -0.655 37.451 38.000 0.177 0.000 1.009 148 I HN -0.038 nan 8.210 nan 0.000 0.431 149 E N 2.138 122.187 120.200 -0.250 0.000 2.086 149 E HA -0.242 5.252 4.350 1.907 0.000 0.200 149 E C 1.756 178.163 176.600 -0.323 0.000 1.012 149 E CA 2.663 58.636 56.400 -0.711 0.000 0.812 149 E CB -0.019 29.376 29.700 -0.508 0.000 0.743 149 E HN 0.599 nan 8.360 nan 0.000 0.453 150 T N 1.169 115.650 114.554 -0.121 0.000 2.708 150 T HA -0.172 5.322 4.350 1.907 0.000 0.266 150 T C 1.931 176.631 174.700 -0.001 0.000 1.037 150 T CA 1.335 63.421 62.100 -0.023 0.000 1.146 150 T CB -0.355 68.509 68.868 -0.008 0.000 0.865 150 T HN 0.264 nan 8.240 nan 0.000 0.435 151 I N 0.574 121.135 120.570 -0.014 0.000 2.286 151 I HA -0.077 5.238 4.170 1.907 0.000 0.248 151 I C 1.949 178.054 176.117 -0.020 0.000 1.115 151 I CA 1.447 62.736 61.300 -0.019 0.000 1.392 151 I CB -0.150 37.850 38.000 0.001 0.000 1.065 151 I HN 0.181 nan 8.210 nan 0.000 0.418 152 L N -0.941 120.258 121.223 -0.040 0.000 2.162 152 L HA -0.058 5.426 4.340 1.907 0.000 0.205 152 L C 2.395 179.332 176.870 0.111 0.000 1.086 152 L CA 0.386 55.218 54.840 -0.013 0.000 0.778 152 L CB -0.402 41.683 42.059 0.043 0.000 0.928 152 L HN 0.047 nan 8.230 nan 0.000 0.446 153 V N -0.251 119.759 119.914 0.160 0.000 2.594 153 V HA -0.295 4.969 4.120 1.907 0.000 0.253 153 V C 2.290 178.653 176.094 0.448 0.000 1.069 153 V CA 1.461 63.997 62.300 0.394 0.000 1.082 153 V CB -0.607 31.421 31.823 0.342 0.000 0.680 153 V HN 0.524 nan 8.190 nan 0.000 0.469 154 Q N 0.356 120.317 119.800 0.268 0.000 2.443 154 Q HA -0.177 5.307 4.340 1.907 0.000 0.213 154 Q C 2.327 178.301 176.000 -0.045 0.000 0.982 154 Q CA 1.471 57.373 55.803 0.164 0.000 0.894 154 Q CB -0.298 28.484 28.738 0.073 0.000 0.947 154 Q HN 0.848 nan 8.270 nan 0.000 0.480 155 S N 0.610 116.308 115.700 -0.003 0.000 2.465 155 S HA -0.153 5.461 4.470 1.907 0.000 0.241 155 S C 1.563 176.151 174.600 -0.019 0.000 1.000 155 S CA 0.681 58.811 58.200 -0.116 0.000 0.964 155 S CB -0.779 62.290 63.200 -0.218 0.000 0.763 155 S HN 0.700 nan 8.310 nan 0.000 0.512 156 W N 0.779 122.204 121.300 0.208 0.000 2.350 156 W HA -0.199 5.603 4.660 1.904 0.000 0.289 156 W C 1.789 178.425 176.519 0.195 0.000 1.215 156 W CA 0.802 58.328 57.345 0.301 0.000 1.236 156 W CB -1.074 28.576 29.460 0.315 0.000 1.130 156 W HN 0.413 nan 8.180 nan 0.000 0.541 157 Y N 4.147 123.782 120.300 -1.108 0.000 2.153 157 Y HA -0.027 5.668 4.550 1.910 0.000 0.289 157 Y C -0.107 175.498 175.900 -0.491 0.000 1.119 157 Y CA 1.722 59.025 58.100 -1.329 0.000 1.116 157 Y CB -1.857 35.726 38.460 -1.462 0.000 1.004 157 Y HN -0.270 nan 8.280 nan 0.000 0.501 158 P HA -0.187 nan 4.420 nan 0.000 0.218 158 P C 1.747 178.939 177.300 -0.181 0.000 1.148 158 P CA 1.970 64.841 63.100 -0.382 0.000 0.822 158 P CB -0.144 31.383 31.700 -0.287 0.000 0.784 159 I N -0.109 120.388 120.570 -0.121 0.000 2.163 159 I HA -0.228 5.086 4.170 1.907 0.000 0.243 159 I C 2.354 178.484 176.117 0.022 0.000 1.085 159 I CA 1.979 63.293 61.300 0.024 0.000 1.347 159 I CB -1.216 36.891 38.000 0.178 0.000 1.044 159 I HN 0.003 nan 8.210 nan 0.000 0.408 160 T N 0.181 114.740 114.554 0.007 0.000 2.812 160 T HA -0.086 5.408 4.350 1.907 0.000 0.264 160 T C 2.019 176.684 174.700 -0.058 0.000 1.042 160 T CA 1.066 63.189 62.100 0.038 0.000 1.140 160 T CB -0.261 68.754 68.868 0.246 0.000 0.870 160 T HN 0.086 nan 8.240 nan 0.000 0.445 161 V N 1.890 121.674 119.914 -0.218 0.000 2.332 161 V HA -0.189 5.076 4.120 1.907 0.000 0.248 161 V C 2.909 178.958 176.094 -0.076 0.000 1.055 161 V CA 1.796 63.973 62.300 -0.206 0.000 1.038 161 V CB -1.201 30.372 31.823 -0.417 0.000 0.651 161 V HN 0.532 nan 8.190 nan 0.000 0.450 162 A N -0.530 122.244 122.820 -0.078 0.000 1.930 162 A HA -0.198 5.267 4.320 1.907 0.000 0.217 162 A C 2.395 179.982 177.584 0.005 0.000 1.175 162 A CA 2.425 54.430 52.037 -0.053 0.000 0.627 162 A CB -0.853 18.099 19.000 -0.081 0.000 0.815 162 A HN 0.507 nan 8.150 nan 0.000 0.443 163 T N 0.019 114.594 114.554 0.035 0.000 2.732 163 T HA -0.132 5.363 4.350 1.907 0.000 0.261 163 T C 2.004 176.800 174.700 0.160 0.000 1.040 163 T CA 1.206 63.363 62.100 0.095 0.000 1.145 163 T CB -0.428 68.503 68.868 0.104 0.000 0.866 163 T HN 0.649 nan 8.240 nan 0.000 0.427 164 N N 0.659 119.449 118.700 0.149 0.000 2.166 164 N HA -0.141 5.743 4.740 1.907 0.000 0.186 164 N C 2.152 177.765 175.510 0.173 0.000 1.019 164 N CA 1.483 54.669 53.050 0.227 0.000 0.856 164 N CB -0.175 38.404 38.487 0.154 0.000 0.993 164 N HN 0.268 nan 8.380 nan 0.000 0.426 165 S N 0.806 116.597 115.700 0.151 0.000 2.370 165 S HA -0.139 5.476 4.470 1.907 0.000 0.226 165 S C 2.045 176.812 174.600 0.279 0.000 1.033 165 S CA 1.058 59.406 58.200 0.247 0.000 1.011 165 S CB -0.258 63.148 63.200 0.342 0.000 0.852 165 S HN 0.412 nan 8.310 nan 0.000 0.457 166 R N 0.304 120.892 120.500 0.147 0.000 2.115 166 R HA -0.003 5.482 4.340 1.907 0.000 0.226 166 R C 2.087 178.433 176.300 0.076 0.000 1.100 166 R CA 1.351 57.489 56.100 0.063 0.000 0.980 166 R CB -0.169 30.129 30.300 -0.004 0.000 0.875 166 R HN 0.345 nan 8.270 nan 0.000 0.445 167 E N 0.796 121.058 120.200 0.103 0.000 2.110 167 E HA -0.213 5.281 4.350 1.907 0.000 0.193 167 E C 1.935 178.568 176.600 0.056 0.000 0.988 167 E CA 1.289 57.725 56.400 0.060 0.000 0.804 167 E CB -0.056 29.673 29.700 0.048 0.000 0.745 167 E HN 0.547 nan 8.360 nan 0.000 0.458 168 Q N 0.327 120.186 119.800 0.099 0.000 2.172 168 Q HA -0.082 5.402 4.340 1.907 0.000 0.200 168 Q C 2.164 178.264 176.000 0.167 0.000 0.964 168 Q CA 0.924 56.772 55.803 0.074 0.000 0.855 168 Q CB -0.048 28.708 28.738 0.030 0.000 0.918 168 Q HN 0.103 nan 8.270 nan 0.000 0.444 169 K N 1.346 121.914 120.400 0.280 0.000 2.097 169 K HA -0.175 5.290 4.320 1.907 0.000 0.206 169 K C 1.723 178.367 176.600 0.074 0.000 1.049 169 K CA 1.202 57.622 56.287 0.222 0.000 0.933 169 K CB 0.166 32.594 32.500 -0.120 0.000 0.717 169 K HN 0.019 nan 8.250 nan 0.000 0.442 170 K N 0.411 120.837 120.400 0.043 0.000 2.026 170 K HA -0.119 5.346 4.320 1.907 0.000 0.208 170 K C 2.114 178.751 176.600 0.061 0.000 1.048 170 K CA 1.674 57.976 56.287 0.025 0.000 0.929 170 K CB -0.170 32.335 32.500 0.009 0.000 0.713 170 K HN 0.151 nan 8.250 nan 0.000 0.439 171 I N 1.231 121.844 120.570 0.072 0.000 2.142 171 I HA -0.315 4.999 4.170 1.907 0.000 0.240 171 I C 2.242 178.465 176.117 0.177 0.000 1.078 171 I CA 1.289 62.661 61.300 0.121 0.000 1.343 171 I CB -0.327 37.685 38.000 0.019 0.000 1.046 171 I HN 0.106 nan 8.210 nan 0.000 0.405 172 L N 0.481 121.774 121.223 0.117 0.000 2.013 172 L HA -0.273 5.211 4.340 1.907 0.000 0.212 172 L C 2.870 179.831 176.870 0.152 0.000 1.073 172 L CA 1.600 56.529 54.840 0.149 0.000 0.753 172 L CB -0.827 41.347 42.059 0.193 0.000 0.890 172 L HN 0.286 nan 8.230 nan 0.000 0.432 173 A N 0.124 123.006 122.820 0.102 0.000 1.865 173 A HA -0.294 5.170 4.320 1.907 0.000 0.217 173 A C 2.399 180.008 177.584 0.042 0.000 1.191 173 A CA 2.238 54.306 52.037 0.052 0.000 0.623 173 A CB -0.599 18.406 19.000 0.008 0.000 0.826 173 A HN 0.394 nan 8.150 nan 0.000 0.444 174 K N -1.739 118.689 120.400 0.047 0.000 2.020 174 K HA -0.228 5.237 4.320 1.907 0.000 0.212 174 K C 1.860 178.399 176.600 -0.101 0.000 1.050 174 K CA 2.131 58.398 56.287 -0.034 0.000 0.929 174 K CB -0.398 32.077 32.500 -0.041 0.000 0.714 174 K HN 0.527 nan 8.250 nan 0.000 0.443 175 Y N 0.270 120.556 120.300 -0.022 0.000 2.286 175 Y HA -0.115 4.423 4.550 -0.020 0.000 0.293 175 Y C 2.064 177.926 175.900 -0.063 0.000 1.124 175 Y CA 0.672 58.749 58.100 -0.039 0.000 1.178 175 Y CB -0.123 38.331 38.460 -0.010 0.000 1.010 175 Y HN 0.099 nan 8.280 nan 0.000 0.536 176 L N -0.492 120.798 121.223 0.112 0.000 2.046 176 L HA -0.171 5.313 4.340 1.907 0.000 0.208 176 L C 2.135 178.996 176.870 -0.016 0.000 1.077 176 L CA 1.414 56.281 54.840 0.046 0.000 0.747 176 L CB -0.950 41.149 42.059 0.067 0.000 0.896 176 L HN 0.240 nan 8.230 nan 0.000 0.432 177 L N -0.395 120.813 121.223 -0.024 0.000 2.056 177 L HA -0.191 5.293 4.340 1.907 0.000 0.207 177 L C 2.487 179.311 176.870 -0.078 0.000 1.078 177 L CA 1.923 56.736 54.840 -0.045 0.000 0.749 177 L CB -0.719 41.315 42.059 -0.043 0.000 0.901 177 L HN 0.472 nan 8.230 nan 0.000 0.433 178 E N -1.421 118.703 120.200 -0.126 0.000 2.150 178 E HA -0.187 5.308 4.350 1.907 0.000 0.193 178 E C 1.706 178.166 176.600 -0.234 0.000 0.985 178 E CA 1.441 57.747 56.400 -0.156 0.000 0.814 178 E CB 0.047 29.618 29.700 -0.216 0.000 0.752 178 E HN 0.695 nan 8.360 nan 0.000 0.466 179 T N -2.599 111.751 114.554 -0.341 0.000 3.065 179 T HA 0.060 5.555 4.350 1.907 0.000 0.252 179 T C 1.658 176.209 174.700 -0.247 0.000 1.099 179 T CA 0.703 62.401 62.100 -0.671 0.000 1.063 179 T CB 0.407 68.812 68.868 -0.772 0.000 0.948 179 T HN 0.117 nan 8.240 nan 0.000 0.506 180 S N -0.598 115.041 115.700 -0.103 0.000 2.653 180 S HA 0.515 6.130 4.470 1.907 0.000 0.259 180 S C 1.830 176.429 174.600 -0.002 0.000 1.076 180 S CA 0.636 58.823 58.200 -0.022 0.000 1.051 180 S CB 0.028 63.222 63.200 -0.011 0.000 0.994 180 S HN 1.217 nan 8.310 nan 0.000 0.552 181 G N 1.920 110.711 108.800 -0.014 0.000 2.175 181 G HA2 -0.215 4.889 3.960 1.907 0.000 0.244 181 G HA3 -0.215 4.889 3.960 1.907 0.000 0.244 181 G C -0.184 174.712 174.900 -0.008 0.000 0.982 181 G CA 0.413 45.509 45.100 -0.006 0.000 0.641 181 G HN 1.198 nan 8.290 nan 0.000 0.527 182 N N -1.698 116.998 118.700 -0.008 0.000 3.277 182 N HA 0.633 6.517 4.740 1.907 0.000 0.278 182 N C -0.011 175.499 175.510 -0.001 0.000 1.544 182 N CA -0.906 52.141 53.050 -0.005 0.000 0.869 182 N CB 0.279 38.765 38.487 -0.001 0.000 1.584 182 N HN 0.071 nan 8.380 nan 0.000 0.564 183 L N -0.620 120.603 121.223 0.001 0.000 3.168 183 L HA 0.405 5.889 4.340 1.907 0.000 0.277 183 L C -0.817 176.065 176.870 0.020 0.000 1.245 183 L CA -0.485 54.360 54.840 0.008 0.000 1.035 183 L CB -0.188 41.866 42.059 -0.008 0.000 1.399 183 L HN 0.465 nan 8.230 nan 0.000 0.580 184 D N 1.416 121.829 120.400 0.021 0.000 2.493 184 D HA 0.256 6.040 4.640 1.907 0.000 0.240 184 D C 1.345 177.679 176.300 0.056 0.000 1.142 184 D CA 1.444 55.462 54.000 0.030 0.000 0.872 184 D CB 1.165 41.975 40.800 0.017 0.000 1.173 184 D HN 0.347 nan 8.370 nan 0.000 0.467 185 G N 1.653 110.508 108.800 0.092 0.000 2.179 185 G HA2 -0.352 4.752 3.960 1.907 0.000 0.260 185 G HA3 -0.352 4.752 3.960 1.907 0.000 0.260 185 G C 1.055 176.072 174.900 0.195 0.000 0.977 185 G CA 0.494 45.690 45.100 0.160 0.000 0.641 185 G HN 0.516 nan 8.290 nan 0.000 0.533 186 L N 1.046 122.343 121.223 0.122 0.000 2.051 186 L HA -0.007 5.478 4.340 1.907 0.000 0.214 186 L C 2.314 179.267 176.870 0.139 0.000 1.076 186 L CA 3.077 57.985 54.840 0.114 0.000 0.758 186 L CB -0.468 41.607 42.059 0.027 0.000 0.890 186 L HN 0.502 nan 8.230 nan 0.000 0.433 187 E N -1.842 118.368 120.200 0.017 0.000 2.515 187 E HA -0.184 5.310 4.350 1.907 0.000 0.201 187 E C 0.749 177.286 176.600 -0.105 0.000 1.071 187 E CA 0.716 57.031 56.400 -0.141 0.000 0.880 187 E CB -0.077 29.432 29.700 -0.318 0.000 0.828 187 E HN 0.657 nan 8.360 nan 0.000 0.540 188 Y N -0.660 119.781 120.300 0.235 0.000 2.557 188 Y HA 0.158 5.851 4.550 1.906 0.000 0.247 188 Y C 1.540 177.549 175.900 0.182 0.000 1.164 188 Y CA -0.293 57.928 58.100 0.202 0.000 1.218 188 Y CB 0.726 39.258 38.460 0.120 0.000 1.210 188 Y HN -0.189 nan 8.280 nan 0.000 0.529 189 K N 0.346 120.941 120.400 0.326 0.000 2.459 189 K HA 0.134 5.599 4.320 1.907 0.000 0.193 189 K C -0.326 176.338 176.600 0.108 0.000 1.030 189 K CA 0.405 56.831 56.287 0.232 0.000 1.026 189 K CB 0.410 33.084 32.500 0.291 0.000 0.809 189 K HN 0.155 nan 8.250 nan 0.000 0.504 190 L N 0.422 121.553 121.223 -0.155 0.000 2.504 190 L HA 0.283 5.768 4.340 1.907 0.000 0.265 190 L C -1.475 175.220 176.870 -0.292 0.000 0.975 190 L CA -0.645 53.967 54.840 -0.380 0.000 0.864 190 L CB 1.310 42.843 42.059 -0.877 0.000 1.212 190 L HN 0.011 nan 8.230 nan 0.000 0.416 191 H N 2.524 121.425 119.070 -0.281 0.000 2.473 191 H HA 0.366 6.065 4.556 1.905 0.000 0.327 191 H C -0.752 174.377 175.328 -0.331 0.000 1.105 191 H CA -0.330 55.600 56.048 -0.197 0.000 1.280 191 H CB 1.207 30.834 29.762 -0.225 0.000 1.450 191 H HN 0.645 nan 8.280 nan 0.000 0.492 192 D N 4.636 124.940 120.400 -0.160 0.000 2.338 192 D HA -0.040 5.744 4.640 1.907 0.000 0.255 192 D C -0.220 176.282 176.300 0.337 0.000 1.237 192 D CA 0.307 54.238 54.000 -0.115 0.000 0.883 192 D CB -0.031 40.691 40.800 -0.129 0.000 1.087 192 D HN 0.609 nan 8.370 nan 0.000 0.485 193 F N 1.536 121.512 119.950 0.043 0.000 2.639 193 F HA 0.214 5.892 4.527 1.917 0.000 0.302 193 F C 2.043 177.883 175.800 0.067 0.000 1.097 193 F CA -0.666 57.381 58.000 0.079 0.000 1.294 193 F CB 1.133 40.164 39.000 0.052 0.000 1.027 193 F HN 0.488 nan 8.300 nan 0.000 0.550 194 G N -0.859 108.069 108.800 0.214 0.000 2.985 194 G HA2 -0.190 4.914 3.960 1.907 0.000 0.209 194 G HA3 -0.190 4.914 3.960 1.907 0.000 0.209 194 G C 1.092 176.108 174.900 0.192 0.000 1.165 194 G CA 0.012 45.205 45.100 0.155 0.000 0.776 194 G HN 0.267 nan 8.290 nan 0.000 0.541 195 Y N 2.627 122.964 120.300 0.062 0.000 2.128 195 Y HA -0.214 5.480 4.550 1.907 0.000 0.284 195 Y C 2.841 178.758 175.900 0.028 0.000 1.154 195 Y CA 1.683 59.806 58.100 0.039 0.000 1.149 195 Y CB -0.162 38.318 38.460 0.032 0.000 0.976 195 Y HN 0.410 nan 8.280 nan 0.000 0.505 196 R N -1.003 119.597 120.500 0.166 0.000 2.189 196 R HA 0.025 5.509 4.340 1.907 0.000 0.218 196 R C 2.109 178.453 176.300 0.073 0.000 1.074 196 R CA 1.348 57.482 56.100 0.056 0.000 0.991 196 R CB -1.000 29.305 30.300 0.008 0.000 0.883 196 R HN 0.318 nan 8.270 nan 0.000 0.457 197 G N 1.771 110.631 108.800 0.100 0.000 2.880 197 G HA2 0.132 5.237 3.960 1.907 0.000 0.209 197 G HA3 0.132 5.237 3.960 1.907 0.000 0.209 197 G C 0.682 175.631 174.900 0.082 0.000 1.157 197 G CA 0.323 45.473 45.100 0.083 0.000 0.779 197 G HN 0.223 nan 8.290 nan 0.000 0.539 198 V N -1.563 118.410 119.914 0.097 0.000 3.262 198 V HA 0.590 5.855 4.120 1.907 0.000 0.313 198 V C 1.388 177.511 176.094 0.048 0.000 1.070 198 V CA 0.273 62.615 62.300 0.070 0.000 1.049 198 V CB 1.280 33.147 31.823 0.073 0.000 1.157 198 V HN 0.117 nan 8.190 nan 0.000 0.454 199 S N -0.395 115.311 115.700 0.010 0.000 2.528 199 S HA 0.250 5.864 4.470 1.907 0.000 0.219 199 S C 0.700 175.306 174.600 0.010 0.000 0.985 199 S CA 0.344 58.546 58.200 0.003 0.000 0.914 199 S CB -0.688 62.500 63.200 -0.019 0.000 0.776 199 S HN 1.760 nan 8.310 nan 0.000 0.526 200 S N -0.965 114.748 115.700 0.021 0.000 2.595 200 S HA 0.384 5.999 4.470 1.907 0.000 0.270 200 S C -0.023 174.627 174.600 0.084 0.000 1.145 200 S CA -0.876 57.348 58.200 0.041 0.000 0.825 200 S CB 0.931 64.143 63.200 0.020 0.000 1.107 200 S HN -0.100 nan 8.310 nan 0.000 0.461 201 Q N 1.107 120.974 119.800 0.111 0.000 2.096 201 Q HA -0.150 5.334 4.340 1.907 0.000 0.204 201 Q C 1.810 177.863 176.000 0.089 0.000 0.982 201 Q CA 2.214 58.116 55.803 0.165 0.000 0.850 201 Q CB -0.488 28.337 28.738 0.144 0.000 0.901 201 Q HN 0.929 nan 8.270 nan 0.000 0.422 202 E N -0.170 120.067 120.200 0.062 0.000 2.051 202 E HA -0.145 5.350 4.350 1.907 0.000 0.192 202 E C 1.759 178.349 176.600 -0.018 0.000 0.991 202 E CA 1.506 57.933 56.400 0.044 0.000 0.799 202 E CB 0.189 29.940 29.700 0.085 0.000 0.748 202 E HN 0.257 nan 8.360 nan 0.000 0.449 203 T N 0.714 115.243 114.554 -0.043 0.000 2.720 203 T HA -0.191 5.303 4.350 1.907 0.000 0.268 203 T C 1.791 176.479 174.700 -0.019 0.000 1.037 203 T CA 1.305 63.340 62.100 -0.109 0.000 1.144 203 T CB -0.343 68.400 68.868 -0.210 0.000 0.864 203 T HN 0.356 nan 8.240 nan 0.000 0.444 204 A N 1.462 124.270 122.820 -0.021 0.000 1.865 204 A HA 0.029 5.494 4.320 1.907 0.000 0.217 204 A C 2.652 180.127 177.584 -0.181 0.000 1.191 204 A CA 2.087 54.059 52.037 -0.108 0.000 0.623 204 A CB -1.503 17.371 19.000 -0.210 0.000 0.826 204 A HN 0.515 nan 8.150 nan 0.000 0.444 205 G N -0.132 108.567 108.800 -0.169 0.000 2.446 205 G HA2 -0.232 4.872 3.960 1.907 0.000 0.217 205 G HA3 -0.232 4.872 3.960 1.907 0.000 0.217 205 G C 1.547 176.347 174.900 -0.166 0.000 1.168 205 G CA 1.266 46.266 45.100 -0.167 0.000 0.771 205 G HN 0.490 nan 8.290 nan 0.000 0.551 206 I N 1.130 121.596 120.570 -0.173 0.000 2.179 206 I HA -0.059 5.256 4.170 1.907 0.000 0.242 206 I C 3.098 179.179 176.117 -0.060 0.000 1.088 206 I CA 1.159 62.338 61.300 -0.201 0.000 1.357 206 I CB -0.482 37.408 38.000 -0.184 0.000 1.051 206 I HN 0.245 nan 8.210 nan 0.000 0.409 207 G N 0.238 109.081 108.800 0.072 0.000 2.402 207 G HA2 -0.198 4.906 3.960 1.907 0.000 0.216 207 G HA3 -0.198 4.906 3.960 1.907 0.000 0.216 207 G C 1.860 176.732 174.900 -0.048 0.000 1.162 207 G CA 0.758 45.843 45.100 -0.026 0.000 0.777 207 G HN 0.480 nan 8.290 nan 0.000 0.539 208 A N 1.340 124.129 122.820 -0.051 0.000 1.933 208 A HA -0.053 5.411 4.320 1.907 0.000 0.218 208 A C 2.751 180.311 177.584 -0.041 0.000 1.175 208 A CA 2.642 54.647 52.037 -0.054 0.000 0.628 208 A CB -0.769 18.152 19.000 -0.131 0.000 0.814 208 A HN 0.758 nan 8.150 nan 0.000 0.444 209 S N 0.197 115.853 115.700 -0.073 0.000 2.382 209 S HA 0.025 5.639 4.470 1.907 0.000 0.228 209 S C 2.103 176.684 174.600 -0.031 0.000 1.027 209 S CA 1.369 59.521 58.200 -0.081 0.000 0.991 209 S CB -0.697 62.475 63.200 -0.046 0.000 0.823 209 S HN 0.920 nan 8.310 nan 0.000 0.469 210 A N 1.684 124.498 122.820 -0.009 0.000 1.902 210 A HA -0.120 5.345 4.320 1.907 0.000 0.217 210 A C 2.123 179.642 177.584 -0.107 0.000 1.181 210 A CA 1.918 53.872 52.037 -0.138 0.000 0.623 210 A CB -1.386 17.575 19.000 -0.064 0.000 0.818 210 A HN 0.789 nan 8.150 nan 0.000 0.443 211 H N -0.078 118.928 119.070 -0.108 0.000 2.387 211 H HA 0.060 5.757 4.556 1.902 0.000 0.299 211 H C 1.513 176.847 175.328 0.010 0.000 1.090 211 H CA 1.631 57.655 56.048 -0.041 0.000 1.332 211 H CB -0.306 29.423 29.762 -0.055 0.000 1.386 211 H HN 0.363 nan 8.280 nan 0.000 0.516 212 L N -0.207 120.972 121.223 -0.073 0.000 2.549 212 L HA -0.074 5.411 4.340 1.907 0.000 0.229 212 L C 2.070 178.938 176.870 -0.004 0.000 1.158 212 L CA 0.165 54.975 54.840 -0.049 0.000 0.842 212 L CB -0.080 41.984 42.059 0.008 0.000 0.952 212 L HN 0.210 nan 8.230 nan 0.000 0.452 213 V N 0.196 120.001 119.914 -0.182 0.000 2.594 213 V HA -0.233 5.032 4.120 1.907 0.000 0.253 213 V C 1.789 177.638 176.094 -0.409 0.000 1.069 213 V CA 1.674 63.664 62.300 -0.515 0.000 1.082 213 V CB -0.445 31.001 31.823 -0.628 0.000 0.680 213 V HN 0.613 nan 8.190 nan 0.000 0.469 214 N N -2.137 116.355 118.700 -0.347 0.000 2.397 214 N HA 0.208 6.092 4.740 1.907 0.000 0.190 214 N C 0.056 175.118 175.510 -0.747 0.000 1.099 214 N CA 0.310 53.068 53.050 -0.485 0.000 0.876 214 N CB 0.931 39.190 38.487 -0.380 0.000 1.143 214 N HN 0.406 nan 8.380 nan 0.000 0.468 215 F N 0.159 119.841 119.950 -0.446 0.000 2.640 215 F HA 0.429 6.087 4.527 1.885 0.000 0.324 215 F C 1.212 176.758 175.800 -0.424 0.000 1.077 215 F CA -0.783 56.939 58.000 -0.465 0.000 0.965 215 F CB 2.092 40.746 39.000 -0.576 0.000 1.351 215 F HN -0.430 nan 8.300 nan 0.000 0.487 216 K N -0.094 120.149 120.400 -0.263 0.000 2.412 216 K HA 0.261 5.726 4.320 1.907 0.000 0.202 216 K C 0.364 176.906 176.600 -0.096 0.000 1.102 216 K CA -0.060 56.078 56.287 -0.249 0.000 1.027 216 K CB 1.096 33.343 32.500 -0.422 0.000 0.931 216 K HN 0.690 nan 8.250 nan 0.000 0.557 217 G N 0.660 109.389 108.800 -0.119 0.000 2.319 217 G HA2 0.321 5.425 3.960 1.907 0.000 0.308 217 G HA3 0.321 5.425 3.960 1.907 0.000 0.308 217 G C -0.923 173.643 174.900 -0.557 0.000 1.117 217 G CA 0.039 45.053 45.100 -0.143 0.000 0.903 217 G HN -0.084 nan 8.290 nan 0.000 0.436 218 T N 0.892 115.114 114.554 -0.553 0.000 2.956 218 T HA 0.364 5.859 4.350 1.907 0.000 0.312 218 T C -0.607 174.111 174.700 0.031 0.000 1.151 218 T CA -0.526 61.387 62.100 -0.311 0.000 1.024 218 T CB 1.874 70.692 68.868 -0.084 0.000 1.140 218 T HN 0.279 nan 8.240 nan 0.000 0.473 219 D N 1.540 122.095 120.400 0.257 0.000 2.398 219 D HA 0.214 5.998 4.640 1.907 0.000 0.210 219 D C 0.254 176.672 176.300 0.197 0.000 1.094 219 D CA 0.276 54.453 54.000 0.296 0.000 0.839 219 D CB 0.610 41.614 40.800 0.341 0.000 0.963 219 D HN 0.451 nan 8.370 nan 0.000 0.506 220 T N 0.822 115.425 114.554 0.081 0.000 3.364 220 T HA 0.107 5.602 4.350 1.907 0.000 0.323 220 T C 1.719 176.302 174.700 -0.195 0.000 1.323 220 T CA -0.208 61.824 62.100 -0.112 0.000 1.073 220 T CB 0.991 69.730 68.868 -0.216 0.000 1.150 220 T HN -0.174 nan 8.240 nan 0.000 0.727 221 V N 2.120 122.007 119.914 -0.045 0.000 2.380 221 V HA -0.267 4.998 4.120 1.907 0.000 0.251 221 V C 2.810 178.848 176.094 -0.094 0.000 1.063 221 V CA 2.156 64.452 62.300 -0.007 0.000 1.055 221 V CB -1.063 30.837 31.823 0.128 0.000 0.657 221 V HN 0.899 nan 8.190 nan 0.000 0.455 222 A N 0.726 123.408 122.820 -0.230 0.000 1.997 222 A HA -0.194 5.270 4.320 1.907 0.000 0.221 222 A C 2.397 179.878 177.584 -0.172 0.000 1.172 222 A CA 2.078 53.990 52.037 -0.208 0.000 0.645 222 A CB -1.140 17.632 19.000 -0.381 0.000 0.813 222 A HN 0.574 nan 8.150 nan 0.000 0.454 223 G N -0.359 108.318 108.800 -0.204 0.000 2.422 223 G HA2 -0.099 5.005 3.960 1.907 0.000 0.218 223 G HA3 -0.099 5.005 3.960 1.907 0.000 0.218 223 G C 1.489 176.289 174.900 -0.166 0.000 1.140 223 G CA 0.889 45.886 45.100 -0.172 0.000 0.775 223 G HN 0.464 nan 8.290 nan 0.000 0.545 224 L N 0.639 121.772 121.223 -0.150 0.000 1.989 224 L HA -0.126 5.359 4.340 1.907 0.000 0.211 224 L C 3.378 180.182 176.870 -0.110 0.000 1.071 224 L CA 1.428 56.178 54.840 -0.150 0.000 0.749 224 L CB -0.650 41.337 42.059 -0.120 0.000 0.890 224 L HN 0.306 nan 8.230 nan 0.000 0.431 225 A N -0.233 122.548 122.820 -0.064 0.000 1.969 225 A HA -0.160 5.304 4.320 1.907 0.000 0.218 225 A C 2.309 179.898 177.584 0.007 0.000 1.169 225 A CA 1.210 53.228 52.037 -0.032 0.000 0.635 225 A CB -0.617 18.377 19.000 -0.009 0.000 0.810 225 A HN 0.398 nan 8.150 nan 0.000 0.445 226 L N -0.473 120.774 121.223 0.040 0.000 2.017 226 L HA -0.170 5.315 4.340 1.907 0.000 0.208 226 L C 2.368 179.365 176.870 0.212 0.000 1.073 226 L CA 1.659 56.614 54.840 0.191 0.000 0.745 226 L CB -0.249 41.855 42.059 0.075 0.000 0.894 226 L HN 0.424 nan 8.230 nan 0.000 0.432 227 I N -0.083 120.491 120.570 0.006 0.000 2.179 227 I HA -0.358 4.956 4.170 1.907 0.000 0.242 227 I C 2.612 178.737 176.117 0.013 0.000 1.088 227 I CA 1.681 62.940 61.300 -0.069 0.000 1.357 227 I CB -0.332 37.341 38.000 -0.544 0.000 1.051 227 I HN 0.271 nan 8.210 nan 0.000 0.409 228 K N 1.361 121.730 120.400 -0.051 0.000 2.032 228 K HA -0.282 5.183 4.320 1.907 0.000 0.209 228 K C 2.229 178.784 176.600 -0.074 0.000 1.048 228 K CA 1.907 58.163 56.287 -0.051 0.000 0.927 228 K CB -0.088 32.373 32.500 -0.065 0.000 0.712 228 K HN 0.135 nan 8.250 nan 0.000 0.441 229 K N -1.026 119.294 120.400 -0.135 0.000 2.116 229 K HA -0.106 5.358 4.320 1.907 0.000 0.203 229 K C 1.319 177.602 176.600 -0.527 0.000 1.052 229 K CA 1.191 57.258 56.287 -0.368 0.000 0.952 229 K CB 0.077 32.258 32.500 -0.532 0.000 0.729 229 K HN 0.234 nan 8.250 nan 0.000 0.446 230 Y N -1.997 118.280 120.300 -0.039 0.000 2.462 230 Y HA 0.112 5.806 4.550 1.907 0.000 0.253 230 Y C 0.897 176.568 175.900 -0.381 0.000 1.095 230 Y CA 0.116 58.088 58.100 -0.213 0.000 1.283 230 Y CB 0.617 38.952 38.460 -0.209 0.000 1.138 230 Y HN 0.019 nan 8.280 nan 0.000 0.522 231 Y N -1.106 119.298 120.300 0.174 0.000 2.846 231 Y HA 0.498 6.194 4.550 1.910 0.000 0.258 231 Y C 1.157 177.147 175.900 0.149 0.000 1.077 231 Y CA 0.174 58.400 58.100 0.210 0.000 1.270 231 Y CB 0.570 39.237 38.460 0.345 0.000 1.476 231 Y HN -0.152 nan 8.280 nan 0.000 0.460 232 G N 1.188 110.139 108.800 0.251 0.000 2.879 232 G HA2 0.108 5.213 3.960 1.907 0.000 0.686 232 G HA3 0.108 5.213 3.960 1.907 0.000 0.686 232 G C -0.556 174.454 174.900 0.184 0.000 1.115 232 G CA -0.356 44.832 45.100 0.146 0.000 0.770 232 G HN 0.439 nan 8.290 nan 0.000 0.601 233 T N -0.392 114.231 114.554 0.114 0.000 2.900 233 T HA 0.668 6.162 4.350 1.907 0.000 0.295 233 T C 1.124 175.872 174.700 0.081 0.000 1.044 233 T CA -0.195 61.979 62.100 0.123 0.000 0.995 233 T CB 2.419 71.353 68.868 0.111 0.000 1.072 233 T HN 0.693 nan 8.240 nan 0.000 0.473 234 K N 0.414 120.863 120.400 0.081 0.000 2.103 234 K HA -0.082 5.383 4.320 1.907 0.000 0.207 234 K C 0.174 176.812 176.600 0.062 0.000 1.048 234 K CA 1.098 57.423 56.287 0.063 0.000 0.930 234 K CB -0.060 32.476 32.500 0.061 0.000 0.716 234 K HN 0.650 nan 8.250 nan 0.000 0.444 235 D N 0.117 120.563 120.400 0.076 0.000 2.362 235 D HA 0.004 5.788 4.640 1.907 0.000 0.242 235 D C -1.723 174.613 176.300 0.060 0.000 1.132 235 D CA -1.262 52.790 54.000 0.088 0.000 0.907 235 D CB 1.028 41.905 40.800 0.128 0.000 1.195 235 D HN -0.015 nan 8.370 nan 0.000 0.429 236 P HA -0.120 nan 4.420 nan 0.000 0.216 236 P C 0.175 177.466 177.300 -0.016 0.000 1.150 236 P CA 1.074 64.193 63.100 0.031 0.000 0.837 236 P CB 0.289 32.020 31.700 0.051 0.000 0.786 237 V N -6.358 113.523 119.914 -0.055 0.000 2.925 237 V HA 0.492 5.757 4.120 1.907 0.000 0.311 237 V C -2.262 173.674 176.094 -0.263 0.000 1.104 237 V CA -2.051 60.139 62.300 -0.183 0.000 0.954 237 V CB 1.933 33.597 31.823 -0.265 0.000 1.022 237 V HN -0.229 nan 8.190 nan 0.000 0.427 238 P HA 0.277 nan 4.420 nan 0.000 0.245 238 P C 0.549 177.685 177.300 -0.273 0.000 1.206 238 P CA 0.874 63.854 63.100 -0.201 0.000 0.781 238 P CB 0.628 32.157 31.700 -0.284 0.000 0.994 239 G N -0.993 107.502 108.800 -0.508 0.000 2.718 239 G HA2 0.571 5.676 3.960 1.907 0.000 0.295 239 G HA3 0.571 5.676 3.960 1.907 0.000 0.295 239 G C -2.183 172.373 174.900 -0.573 0.000 1.421 239 G CA -0.393 44.463 45.100 -0.407 0.000 0.902 239 G HN -0.105 nan 8.290 nan 0.000 0.501 240 Y N -0.231 120.122 120.300 0.088 0.000 2.553 240 Y HA 0.794 6.487 4.550 1.905 0.000 0.347 240 Y C 0.498 176.503 175.900 0.175 0.000 1.019 240 Y CA -0.715 57.470 58.100 0.142 0.000 1.032 240 Y CB 2.852 41.446 38.460 0.223 0.000 1.284 240 Y HN 0.700 nan 8.280 nan 0.000 0.466 241 S N 0.580 116.479 115.700 0.331 0.000 2.732 241 S HA 0.889 6.503 4.470 1.907 0.000 0.293 241 S C -1.491 173.221 174.600 0.188 0.000 1.159 241 S CA -0.514 57.880 58.200 0.324 0.000 0.847 241 S CB 1.331 64.700 63.200 0.281 0.000 1.169 241 S HN 0.776 nan 8.310 nan 0.000 0.501 242 V N -0.137 119.840 119.914 0.105 0.000 3.040 242 V HA 0.792 6.056 4.120 1.907 0.000 0.312 242 V C -2.974 173.040 176.094 -0.132 0.000 1.115 242 V CA -2.449 59.836 62.300 -0.024 0.000 0.998 242 V CB 0.510 32.300 31.823 -0.056 0.000 1.042 242 V HN 0.718 nan 8.190 nan 0.000 0.433 243 P HA 0.559 nan 4.420 nan 0.000 0.266 243 P C -0.540 176.512 177.300 -0.414 0.000 1.195 243 P CA 0.494 63.268 63.100 -0.543 0.000 0.768 243 P CB 0.669 31.618 31.700 -1.251 0.000 0.838 244 A N 1.745 124.361 122.820 -0.341 0.000 2.577 244 A HA 0.675 6.140 4.320 1.907 0.000 0.297 244 A C -0.874 176.613 177.584 -0.161 0.000 1.060 244 A CA -0.465 51.435 52.037 -0.227 0.000 0.697 244 A CB 1.167 20.047 19.000 -0.200 0.000 1.281 244 A HN 0.544 nan 8.150 nan 0.000 0.402 245 A N 1.187 123.938 122.820 -0.115 0.000 2.304 245 A HA 0.719 6.183 4.320 1.907 0.000 0.271 245 A C 0.252 177.765 177.584 -0.119 0.000 1.091 245 A CA 0.253 52.258 52.037 -0.054 0.000 0.812 245 A CB 0.241 19.242 19.000 0.002 0.000 1.056 245 A HN 1.108 nan 8.150 nan 0.000 0.489 246 E N -0.443 119.706 120.200 -0.086 0.000 2.334 246 E HA 0.459 5.954 4.350 1.907 0.000 0.256 246 E C -0.160 176.364 176.600 -0.127 0.000 0.958 246 E CA -0.679 55.639 56.400 -0.138 0.000 0.821 246 E CB 0.515 30.175 29.700 -0.066 0.000 1.269 246 E HN 0.647 nan 8.360 nan 0.000 0.413 247 H N -0.057 119.010 119.070 -0.005 0.000 2.387 247 H HA -0.139 5.561 4.556 1.907 0.000 0.299 247 H C 2.278 177.628 175.328 0.037 0.000 1.090 247 H CA 2.415 58.463 56.048 -0.001 0.000 1.332 247 H CB 0.094 29.832 29.762 -0.040 0.000 1.386 247 H HN 0.618 nan 8.280 nan 0.000 0.516 248 S N 0.084 115.869 115.700 0.143 0.000 2.370 248 S HA -0.220 5.395 4.470 1.907 0.000 0.226 248 S C 2.256 176.945 174.600 0.148 0.000 1.033 248 S CA 1.689 59.959 58.200 0.117 0.000 1.011 248 S CB -0.834 62.410 63.200 0.075 0.000 0.852 248 S HN 0.630 nan 8.310 nan 0.000 0.457 249 T N -0.523 114.124 114.554 0.155 0.000 3.055 249 T HA 0.190 5.684 4.350 1.907 0.000 0.265 249 T C 1.705 176.626 174.700 0.369 0.000 1.111 249 T CA 0.514 62.759 62.100 0.242 0.000 1.118 249 T CB -0.363 68.637 68.868 0.220 0.000 0.909 249 T HN 0.319 nan 8.240 nan 0.000 0.501 250 I N 2.965 123.696 120.570 0.267 0.000 2.296 250 I HA -0.003 5.311 4.170 1.907 0.000 0.242 250 I C 2.991 179.314 176.117 0.343 0.000 1.087 250 I CA 1.715 63.177 61.300 0.270 0.000 1.393 250 I CB -1.774 36.342 38.000 0.193 0.000 1.093 250 I HN 0.482 nan 8.210 nan 0.000 0.421 251 T N -0.143 114.568 114.554 0.261 0.000 2.951 251 T HA 0.023 5.518 4.350 1.907 0.000 0.268 251 T C 2.022 176.883 174.700 0.267 0.000 1.073 251 T CA 0.936 63.199 62.100 0.272 0.000 1.134 251 T CB -0.517 68.459 68.868 0.179 0.000 0.884 251 T HN 0.230 nan 8.240 nan 0.000 0.479 252 A N 0.734 123.690 122.820 0.227 0.000 2.032 252 A HA -0.067 5.397 4.320 1.907 0.000 0.221 252 A C 1.907 179.511 177.584 0.033 0.000 1.165 252 A CA 1.339 53.430 52.037 0.090 0.000 0.645 252 A CB -1.341 17.657 19.000 -0.002 0.000 0.807 252 A HN 0.770 nan 8.150 nan 0.000 0.453 253 W N -0.863 120.464 121.300 0.045 0.000 2.595 253 W HA 0.360 6.164 4.660 1.908 0.000 0.257 253 W C 1.363 177.921 176.519 0.064 0.000 1.267 253 W CA 1.310 58.667 57.345 0.021 0.000 1.300 253 W CB -0.363 29.122 29.460 0.042 0.000 1.120 253 W HN 0.696 nan 8.180 nan 0.000 0.618 254 G N 0.195 109.172 108.800 0.295 0.000 2.675 254 G HA2 -0.278 4.827 3.960 1.907 0.000 0.686 254 G HA3 -0.278 4.827 3.960 1.907 0.000 0.686 254 G C 0.303 175.316 174.900 0.189 0.000 1.215 254 G CA -0.282 44.955 45.100 0.229 0.000 0.777 254 G HN 0.054 nan 8.290 nan 0.000 0.638 255 K N -0.101 120.309 120.400 0.018 0.000 2.147 255 K HA -0.040 5.424 4.320 1.907 0.000 0.205 255 K C 1.592 177.949 176.600 -0.405 0.000 1.049 255 K CA 2.567 58.647 56.287 -0.344 0.000 0.936 255 K CB -0.070 32.200 32.500 -0.384 0.000 0.722 255 K HN 0.429 nan 8.250 nan 0.000 0.446 256 D N -0.371 119.863 120.400 -0.277 0.000 2.349 256 D HA -0.043 5.742 4.640 1.907 0.000 0.224 256 D C 0.332 176.283 176.300 -0.583 0.000 1.029 256 D CA 0.610 54.344 54.000 -0.444 0.000 0.879 256 D CB 0.111 40.617 40.800 -0.491 0.000 0.906 256 D HN 0.422 nan 8.370 nan 0.000 0.528 257 H N -0.234 118.792 119.070 -0.073 0.000 2.475 257 H HA 0.146 5.847 4.556 1.907 0.000 0.276 257 H C 1.244 176.493 175.328 -0.132 0.000 1.126 257 H CA -0.132 55.894 56.048 -0.037 0.000 1.023 257 H CB 0.686 30.521 29.762 0.123 0.000 1.669 257 H HN 0.248 nan 8.280 nan 0.000 0.573 258 E N 1.910 122.008 120.200 -0.170 0.000 2.130 258 E HA -0.201 5.293 4.350 1.907 0.000 0.196 258 E C 2.108 178.233 176.600 -0.792 0.000 0.998 258 E CA 1.133 57.278 56.400 -0.425 0.000 0.806 258 E CB 0.323 29.778 29.700 -0.408 0.000 0.738 258 E HN 0.308 nan 8.360 nan 0.000 0.459 259 K N 0.275 120.331 120.400 -0.573 0.000 2.057 259 K HA -0.180 5.285 4.320 1.907 0.000 0.207 259 K C 1.677 178.071 176.600 -0.343 0.000 1.049 259 K CA 1.769 57.760 56.287 -0.495 0.000 0.931 259 K CB 0.016 32.342 32.500 -0.290 0.000 0.714 259 K HN 0.110 nan 8.250 nan 0.000 0.440 260 D N 0.662 120.907 120.400 -0.259 0.000 2.123 260 D HA -0.196 5.588 4.640 1.907 0.000 0.196 260 D C 1.830 177.672 176.300 -0.763 0.000 0.992 260 D CA 1.449 55.277 54.000 -0.287 0.000 0.833 260 D CB -0.284 40.500 40.800 -0.026 0.000 0.954 260 D HN 0.377 nan 8.370 nan 0.000 0.455 261 A N 1.161 123.328 122.820 -1.089 0.000 1.865 261 A HA -0.211 5.253 4.320 1.907 0.000 0.217 261 A C 2.107 179.458 177.584 -0.388 0.000 1.191 261 A CA 1.236 52.434 52.037 -1.398 0.000 0.623 261 A CB -0.992 17.466 19.000 -0.904 0.000 0.826 261 A HN 0.083 nan 8.150 nan 0.000 0.444 262 F N -0.027 119.687 119.950 -0.392 0.000 2.095 262 F HA -0.155 5.517 4.527 1.909 0.000 0.298 262 F C 2.395 178.153 175.800 -0.071 0.000 1.104 262 F CA 1.351 59.231 58.000 -0.201 0.000 1.232 262 F CB -1.195 37.444 39.000 -0.601 0.000 0.987 262 F HN 0.518 nan 8.300 nan 0.000 0.475 263 E N -0.817 119.414 120.200 0.052 0.000 2.051 263 E HA -0.293 5.202 4.350 1.907 0.000 0.192 263 E C 2.221 178.851 176.600 0.050 0.000 0.991 263 E CA 1.544 57.974 56.400 0.050 0.000 0.799 263 E CB -0.313 29.394 29.700 0.011 0.000 0.748 263 E HN 0.501 nan 8.360 nan 0.000 0.449 264 H N 0.067 119.068 119.070 -0.114 0.000 2.353 264 H HA -0.080 5.621 4.556 1.907 0.000 0.300 264 H C 1.944 177.296 175.328 0.040 0.000 1.090 264 H CA 2.243 58.272 56.048 -0.031 0.000 1.327 264 H CB -0.097 29.633 29.762 -0.053 0.000 1.383 264 H HN 0.201 nan 8.280 nan 0.000 0.508 265 I N 0.136 120.787 120.570 0.135 0.000 2.202 265 I HA -0.233 5.082 4.170 1.907 0.000 0.242 265 I C 2.511 178.725 176.117 0.162 0.000 1.091 265 I CA 1.357 62.774 61.300 0.194 0.000 1.368 265 I CB -0.303 37.871 38.000 0.290 0.000 1.058 265 I HN 0.335 nan 8.210 nan 0.000 0.410 266 V N -2.352 117.649 119.914 0.145 0.000 2.626 266 V HA -0.176 5.089 4.120 1.907 0.000 0.252 266 V C 2.198 178.312 176.094 0.033 0.000 1.067 266 V CA 2.101 64.468 62.300 0.111 0.000 1.081 266 V CB -1.399 30.489 31.823 0.109 0.000 0.686 266 V HN 0.364 nan 8.190 nan 0.000 0.468 267 T N -0.163 114.374 114.554 -0.028 0.000 2.857 267 T HA -0.107 5.387 4.350 1.907 0.000 0.266 267 T C 2.009 176.593 174.700 -0.194 0.000 1.048 267 T CA 1.574 63.621 62.100 -0.088 0.000 1.139 267 T CB -0.289 68.530 68.868 -0.082 0.000 0.874 267 T HN 0.489 nan 8.240 nan 0.000 0.455 268 Q N 0.291 119.880 119.800 -0.351 0.000 2.124 268 Q HA 0.029 5.513 4.340 1.907 0.000 0.202 268 Q C 0.365 175.931 176.000 -0.723 0.000 0.977 268 Q CA 1.055 56.485 55.803 -0.622 0.000 0.850 268 Q CB -0.182 28.007 28.738 -0.914 0.000 0.901 268 Q HN 0.588 nan 8.270 nan 0.000 0.429 269 F N 0.442 120.363 119.950 -0.048 0.000 2.664 269 F HA 0.178 5.851 4.527 1.909 0.000 0.322 269 F C 1.278 177.053 175.800 -0.040 0.000 1.324 269 F CA -0.420 57.559 58.000 -0.035 0.000 1.154 269 F CB 0.411 39.394 39.000 -0.029 0.000 1.236 269 F HN -0.081 nan 8.300 nan 0.000 0.532 270 S N -1.111 114.610 115.700 0.036 0.000 2.461 270 S HA -0.113 5.502 4.470 1.907 0.000 0.228 270 S C 1.539 176.152 174.600 0.022 0.000 1.005 270 S CA 0.937 59.147 58.200 0.016 0.000 0.942 270 S CB -0.225 62.966 63.200 -0.015 0.000 0.776 270 S HN 0.401 nan 8.310 nan 0.000 0.514 271 S N 0.303 116.024 115.700 0.036 0.000 2.730 271 S HA 0.502 6.117 4.470 1.907 0.000 0.244 271 S C 0.158 174.776 174.600 0.031 0.000 1.022 271 S CA -0.078 58.136 58.200 0.024 0.000 1.014 271 S CB -0.024 63.185 63.200 0.015 0.000 0.963 271 S HN 0.636 nan 8.310 nan 0.000 0.540 272 V N -2.873 117.074 119.914 0.055 0.000 3.126 272 V HA 0.770 6.034 4.120 1.907 0.000 0.314 272 V C -3.299 172.795 176.094 -0.001 0.000 1.138 272 V CA -3.171 59.146 62.300 0.028 0.000 1.034 272 V CB 0.805 32.659 31.823 0.052 0.000 1.075 272 V HN -0.089 nan 8.190 nan 0.000 0.442 273 P HA 0.322 nan 4.420 nan 0.000 0.266 273 P C -0.901 176.338 177.300 -0.101 0.000 1.195 273 P CA 0.241 63.293 63.100 -0.080 0.000 0.768 273 P CB 0.909 32.550 31.700 -0.098 0.000 0.838 274 V N 2.487 122.326 119.914 -0.124 0.000 2.733 274 V HA 0.491 5.756 4.120 1.907 0.000 0.306 274 V C -0.793 175.184 176.094 -0.194 0.000 1.084 274 V CA -0.515 61.688 62.300 -0.162 0.000 0.905 274 V CB 2.115 33.892 31.823 -0.077 0.000 1.010 274 V HN 0.554 nan 8.190 nan 0.000 0.424 275 S N 5.764 121.343 115.700 -0.202 0.000 2.462 275 S HA 0.780 6.394 4.470 1.907 0.000 0.294 275 S C -0.994 173.491 174.600 -0.192 0.000 1.144 275 S CA -0.425 57.653 58.200 -0.203 0.000 1.088 275 S CB 1.315 64.412 63.200 -0.170 0.000 1.009 275 S HN 0.889 nan 8.310 nan 0.000 0.484 276 V N 5.644 125.424 119.914 -0.223 0.000 2.409 276 V HA 0.367 5.631 4.120 1.907 0.000 0.290 276 V C 0.177 176.175 176.094 -0.161 0.000 1.017 276 V CA -0.962 61.233 62.300 -0.175 0.000 0.841 276 V CB 1.420 33.150 31.823 -0.156 0.000 1.003 276 V HN 0.804 nan 8.190 nan 0.000 0.426 277 V N 5.040 124.870 119.914 -0.140 0.000 2.509 277 V HA 0.072 5.337 4.120 1.907 0.000 0.297 277 V C 1.106 177.193 176.094 -0.012 0.000 1.014 277 V CA 1.330 63.545 62.300 -0.141 0.000 1.127 277 V CB 1.462 33.079 31.823 -0.343 0.000 0.925 277 V HN 1.045 nan 8.190 nan 0.000 0.480 278 S N 3.496 119.234 115.700 0.063 0.000 2.701 278 S HA 0.146 5.760 4.470 1.907 0.000 0.242 278 S C 0.736 175.450 174.600 0.190 0.000 1.025 278 S CA 0.122 58.472 58.200 0.251 0.000 1.016 278 S CB 0.104 63.490 63.200 0.311 0.000 0.977 278 S HN 1.008 nan 8.310 nan 0.000 0.546 279 D N 0.636 121.097 120.400 0.102 0.000 2.424 279 D HA 0.195 5.979 4.640 1.907 0.000 0.220 279 D C 0.837 177.144 176.300 0.012 0.000 1.150 279 D CA 0.009 54.033 54.000 0.041 0.000 0.831 279 D CB -0.097 40.715 40.800 0.019 0.000 0.981 279 D HN 0.019 nan 8.370 nan 0.000 0.500 280 S N -0.227 115.452 115.700 -0.036 0.000 2.387 280 S HA -0.152 5.462 4.470 1.907 0.000 0.230 280 S C 0.855 175.070 174.600 -0.641 0.000 1.035 280 S CA 1.333 59.315 58.200 -0.363 0.000 1.014 280 S CB -0.231 62.566 63.200 -0.672 0.000 0.836 280 S HN 0.543 nan 8.310 nan 0.000 0.466 281 Y N -0.794 119.529 120.300 0.038 0.000 2.846 281 Y HA 0.378 6.073 4.550 1.908 0.000 0.258 281 Y C 0.112 176.009 175.900 -0.006 0.000 1.077 281 Y CA -0.481 57.621 58.100 0.002 0.000 1.270 281 Y CB 0.840 39.288 38.460 -0.020 0.000 1.476 281 Y HN 0.050 nan 8.280 nan 0.000 0.460 282 D N 0.146 120.625 120.400 0.132 0.000 2.318 282 D HA 0.098 5.883 4.640 1.907 0.000 0.233 282 D C 0.092 176.391 176.300 -0.002 0.000 1.348 282 D CA -0.174 53.861 54.000 0.057 0.000 0.983 282 D CB 1.135 41.994 40.800 0.098 0.000 1.416 282 D HN 0.194 nan 8.370 nan 0.000 0.558 283 I N 3.748 124.219 120.570 -0.165 0.000 2.335 283 I HA -0.185 5.130 4.170 1.907 0.000 0.251 283 I C 1.039 177.068 176.117 -0.146 0.000 1.129 283 I CA 1.693 62.864 61.300 -0.215 0.000 1.402 283 I CB -0.198 37.539 38.000 -0.438 0.000 1.069 283 I HN 0.457 nan 8.210 nan 0.000 0.424 284 Y N -0.322 120.040 120.300 0.104 0.000 2.243 284 Y HA -0.146 5.547 4.550 1.905 0.000 0.293 284 Y C 2.508 178.469 175.900 0.102 0.000 1.124 284 Y CA 1.265 59.423 58.100 0.096 0.000 1.159 284 Y CB -0.721 37.782 38.460 0.073 0.000 1.008 284 Y HN 0.298 nan 8.280 nan 0.000 0.527 285 N N 0.781 119.605 118.700 0.208 0.000 2.069 285 N HA -0.210 5.674 4.740 1.907 0.000 0.191 285 N C 1.887 177.466 175.510 0.114 0.000 1.031 285 N CA 1.541 54.670 53.050 0.132 0.000 0.852 285 N CB -0.359 38.178 38.487 0.083 0.000 1.018 285 N HN 0.275 nan 8.380 nan 0.000 0.423 286 A N -0.107 122.785 122.820 0.121 0.000 1.883 286 A HA -0.172 5.293 4.320 1.907 0.000 0.217 286 A C 2.652 180.377 177.584 0.234 0.000 1.186 286 A CA 1.650 53.768 52.037 0.135 0.000 0.624 286 A CB -1.222 17.927 19.000 0.248 0.000 0.822 286 A HN 0.596 nan 8.150 nan 0.000 0.444 287 C N -1.384 118.112 119.300 0.327 0.000 2.462 287 C HA -0.029 5.575 4.460 1.907 0.000 0.278 287 C C 2.716 177.917 174.990 0.351 0.000 1.253 287 C CA 1.172 60.443 59.018 0.422 0.000 1.713 287 C CB -1.089 26.843 27.740 0.321 0.000 2.049 287 C HN 0.783 nan 8.230 nan 0.000 0.477 288 E N 0.478 120.828 120.200 0.251 0.000 2.046 288 E HA -0.151 5.344 4.350 1.907 0.000 0.190 288 E C 2.121 178.808 176.600 0.144 0.000 0.982 288 E CA 1.068 57.580 56.400 0.187 0.000 0.800 288 E CB 0.071 29.860 29.700 0.149 0.000 0.756 288 E HN 0.546 nan 8.360 nan 0.000 0.449 289 K N -0.411 120.060 120.400 0.119 0.000 2.214 289 K HA 0.130 5.595 4.320 1.907 0.000 0.201 289 K C 2.169 178.800 176.600 0.050 0.000 1.049 289 K CA 0.340 56.667 56.287 0.067 0.000 0.978 289 K CB 0.315 32.836 32.500 0.034 0.000 0.842 289 K HN 0.144 nan 8.250 nan 0.000 0.474 290 I N -0.579 120.005 120.570 0.023 0.000 2.260 290 I HA -0.164 5.150 4.170 1.907 0.000 0.237 290 I C 2.042 178.180 176.117 0.036 0.000 1.075 290 I CA 1.250 62.505 61.300 -0.075 0.000 1.376 290 I CB -0.387 37.450 38.000 -0.272 0.000 1.107 290 I HN 0.229 nan 8.210 nan 0.000 0.420 291 W N 1.074 122.515 121.300 0.234 0.000 2.381 291 W HA -0.051 5.755 4.660 1.910 0.000 0.301 291 W C 2.522 179.196 176.519 0.259 0.000 1.205 291 W CA 0.720 58.204 57.345 0.232 0.000 1.285 291 W CB -0.578 29.009 29.460 0.212 0.000 1.133 291 W HN 0.140 nan 8.180 nan 0.000 0.521 292 G N -0.397 108.654 108.800 0.418 0.000 2.572 292 G HA2 -0.060 5.045 3.960 1.907 0.000 0.216 292 G HA3 -0.060 5.045 3.960 1.907 0.000 0.216 292 G C 1.081 175.984 174.900 0.005 0.000 1.133 292 G CA 1.039 46.242 45.100 0.172 0.000 0.791 292 G HN 0.299 nan 8.290 nan 0.000 0.538 293 E N -0.762 119.485 120.200 0.079 0.000 3.844 293 E HA 0.034 5.529 4.350 1.907 0.000 0.201 293 E C 1.452 178.110 176.600 0.096 0.000 1.278 293 E CA -0.104 56.325 56.400 0.049 0.000 1.565 293 E CB 0.178 29.898 29.700 0.034 0.000 1.543 293 E HN -0.022 nan 8.360 nan 0.000 0.584 294 D N 1.139 121.591 120.400 0.087 0.000 2.123 294 D HA -0.118 5.666 4.640 1.907 0.000 0.196 294 D C 1.617 178.021 176.300 0.174 0.000 0.992 294 D CA 1.271 55.333 54.000 0.103 0.000 0.833 294 D CB 0.212 41.031 40.800 0.031 0.000 0.954 294 D HN 0.136 nan 8.370 nan 0.000 0.455 295 L N -0.408 120.888 121.223 0.120 0.000 2.858 295 L HA 0.270 5.754 4.340 1.907 0.000 0.251 295 L C 2.035 178.888 176.870 -0.028 0.000 1.149 295 L CA -0.260 54.574 54.840 -0.010 0.000 0.955 295 L CB 0.368 42.484 42.059 0.096 0.000 1.289 295 L HN -0.128 nan 8.230 nan 0.000 0.542 296 R N 1.108 121.692 120.500 0.141 0.000 2.165 296 R HA -0.262 5.222 4.340 1.907 0.000 0.254 296 R C 2.407 178.759 176.300 0.087 0.000 1.153 296 R CA 2.486 58.689 56.100 0.172 0.000 0.971 296 R CB -0.355 29.979 30.300 0.056 0.000 0.878 296 R HN 0.585 nan 8.270 nan 0.000 0.449 297 H N -0.535 118.581 119.070 0.077 0.000 2.456 297 H HA -0.106 5.595 4.556 1.908 0.000 0.296 297 H C 1.796 177.137 175.328 0.023 0.000 1.079 297 H CA 1.242 57.310 56.048 0.033 0.000 1.322 297 H CB -0.359 29.418 29.762 0.025 0.000 1.388 297 H HN 0.333 nan 8.280 nan 0.000 0.538 298 L N 0.044 121.055 121.223 -0.354 0.000 2.529 298 L HA 0.009 5.493 4.340 1.907 0.000 0.223 298 L C 1.749 178.557 176.870 -0.105 0.000 1.113 298 L CA -0.132 54.596 54.840 -0.187 0.000 0.861 298 L CB 0.084 42.019 42.059 -0.206 0.000 1.012 298 L HN 0.149 nan 8.230 nan 0.000 0.461 299 I N -0.426 120.091 120.570 -0.089 0.000 2.512 299 I HA -0.079 5.235 4.170 1.907 0.000 0.247 299 I C 2.541 178.391 176.117 -0.445 0.000 1.094 299 I CA 1.080 62.299 61.300 -0.136 0.000 1.427 299 I CB -0.990 37.031 38.000 0.035 0.000 1.149 299 I HN 0.053 nan 8.210 nan 0.000 0.438 300 V N -0.146 119.504 119.914 -0.440 0.000 2.867 300 V HA -0.109 5.155 4.120 1.907 0.000 0.260 300 V C 2.166 177.908 176.094 -0.587 0.000 1.099 300 V CA 1.752 63.530 62.300 -0.870 0.000 1.122 300 V CB -1.513 30.140 31.823 -0.284 0.000 0.708 300 V HN 0.488 nan 8.190 nan 0.000 0.490 301 S N -0.509 115.010 115.700 -0.300 0.000 2.558 301 S HA 0.188 5.803 4.470 1.907 0.000 0.217 301 S C 1.050 175.578 174.600 -0.119 0.000 0.975 301 S CA -0.406 57.708 58.200 -0.143 0.000 0.912 301 S CB -0.351 62.813 63.200 -0.061 0.000 0.776 301 S HN 0.699 nan 8.310 nan 0.000 0.526 302 R N 1.884 122.278 120.500 -0.176 0.000 2.641 302 R HA 0.380 5.864 4.340 1.907 0.000 0.269 302 R C 0.376 176.698 176.300 0.036 0.000 1.074 302 R CA -0.071 55.995 56.100 -0.056 0.000 1.133 302 R CB 0.522 30.795 30.300 -0.044 0.000 1.029 302 R HN 0.288 nan 8.270 nan 0.000 0.488 303 S N 0.222 115.942 115.700 0.033 0.000 2.585 303 S HA -0.010 5.604 4.470 1.907 0.000 0.273 303 S C 1.115 175.746 174.600 0.052 0.000 1.339 303 S CA -0.457 57.769 58.200 0.042 0.000 1.028 303 S CB 1.113 64.321 63.200 0.014 0.000 0.906 303 S HN 0.582 nan 8.310 nan 0.000 0.528 304 T N 3.557 118.134 114.554 0.039 0.000 2.881 304 T HA -0.093 5.402 4.350 1.907 0.000 0.270 304 T C 1.357 176.040 174.700 -0.027 0.000 1.068 304 T CA 1.532 63.634 62.100 0.003 0.000 1.131 304 T CB -0.234 68.631 68.868 -0.005 0.000 0.871 304 T HN 0.648 nan 8.240 nan 0.000 0.479 305 Q N 0.213 119.998 119.800 -0.026 0.000 2.403 305 Q HA 0.440 5.924 4.340 1.907 0.000 0.203 305 Q C 0.880 176.851 176.000 -0.049 0.000 0.932 305 Q CA 0.190 55.964 55.803 -0.047 0.000 0.945 305 Q CB 0.443 29.155 28.738 -0.042 0.000 1.045 305 Q HN 0.420 nan 8.270 nan 0.000 0.511 306 A N 0.857 123.657 122.820 -0.033 0.000 3.234 306 A HA 0.327 5.792 4.320 1.907 0.000 0.247 306 A C -2.647 174.914 177.584 -0.037 0.000 0.938 306 A CA -1.068 50.950 52.037 -0.032 0.000 1.039 306 A CB 0.315 19.308 19.000 -0.012 0.000 1.197 306 A HN -0.011 nan 8.150 nan 0.000 0.498 307 P HA 0.251 nan 4.420 nan 0.000 0.272 307 P C -0.130 177.090 177.300 -0.135 0.000 1.230 307 P CA -0.191 62.864 63.100 -0.074 0.000 0.788 307 P CB 1.061 32.696 31.700 -0.109 0.000 0.949 308 L N 2.458 123.568 121.223 -0.189 0.000 2.367 308 L HA 0.290 5.775 4.340 1.907 0.000 0.275 308 L C -0.282 176.373 176.870 -0.357 0.000 1.129 308 L CA -0.011 54.632 54.840 -0.329 0.000 0.839 308 L CB -0.459 41.294 42.059 -0.509 0.000 1.133 308 L HN 0.186 nan 8.230 nan 0.000 0.453 309 I N 6.798 127.159 120.570 -0.348 0.000 2.359 309 I HA 0.316 5.630 4.170 1.907 0.000 0.284 309 I C -0.211 175.683 176.117 -0.373 0.000 1.018 309 I CA -0.336 60.773 61.300 -0.318 0.000 1.173 309 I CB 0.929 38.791 38.000 -0.231 0.000 1.326 309 I HN 0.511 nan 8.210 nan 0.000 0.462 310 I N 6.160 126.483 120.570 -0.412 0.000 2.496 310 I HA 0.230 5.544 4.170 1.907 0.000 0.285 310 I C 0.542 176.521 176.117 -0.229 0.000 1.080 310 I CA -0.096 60.973 61.300 -0.384 0.000 1.404 310 I CB 0.666 38.433 38.000 -0.389 0.000 1.403 310 I HN 0.564 nan 8.210 nan 0.000 0.539 311 R N 9.021 129.424 120.500 -0.162 0.000 2.371 311 R HA 0.425 5.909 4.340 1.907 0.000 0.312 311 R C -2.630 173.636 176.300 -0.057 0.000 0.980 311 R CA -1.617 54.420 56.100 -0.106 0.000 0.867 311 R CB 1.265 31.511 30.300 -0.090 0.000 1.163 311 R HN 0.280 nan 8.270 nan 0.000 0.492 312 P HA 0.145 nan 4.420 nan 0.000 0.274 312 P C -0.823 176.482 177.300 0.009 0.000 1.246 312 P CA -0.039 63.044 63.100 -0.028 0.000 0.795 312 P CB 1.062 32.737 31.700 -0.042 0.000 1.006 313 D N -0.937 119.484 120.400 0.035 0.000 2.881 313 D HA 0.187 5.971 4.640 1.907 0.000 0.325 313 D C -1.027 175.311 176.300 0.063 0.000 1.621 313 D CA -0.083 53.965 54.000 0.079 0.000 0.785 313 D CB -0.078 40.812 40.800 0.151 0.000 1.233 313 D HN 0.387 nan 8.370 nan 0.000 0.447 314 S N -1.755 113.964 115.700 0.031 0.000 2.597 314 S HA 0.738 6.352 4.470 1.907 0.000 0.274 314 S C 0.124 174.737 174.600 0.021 0.000 1.132 314 S CA -0.383 57.829 58.200 0.019 0.000 0.835 314 S CB 1.294 64.492 63.200 -0.003 0.000 1.092 314 S HN 0.784 nan 8.310 nan 0.000 0.457 315 G N 1.362 110.183 108.800 0.035 0.000 2.592 315 G HA2 0.053 5.158 3.960 1.907 0.000 0.684 315 G HA3 0.053 5.158 3.960 1.907 0.000 0.684 315 G C -0.714 174.222 174.900 0.061 0.000 1.291 315 G CA -0.393 44.742 45.100 0.059 0.000 0.891 315 G HN 1.368 nan 8.290 nan 0.000 0.544 316 N N 1.155 119.898 118.700 0.072 0.000 2.452 316 N HA 0.421 6.305 4.740 1.907 0.000 0.266 316 N C -0.556 174.994 175.510 0.067 0.000 1.209 316 N CA -0.620 52.468 53.050 0.063 0.000 0.929 316 N CB 1.124 39.648 38.487 0.062 0.000 1.063 316 N HN 0.185 nan 8.380 nan 0.000 0.472 317 P HA -0.229 nan 4.420 nan 0.000 0.215 317 P C 1.389 178.730 177.300 0.068 0.000 1.157 317 P CA 0.901 64.040 63.100 0.066 0.000 0.874 317 P CB 0.161 31.900 31.700 0.066 0.000 0.790 318 L N -0.390 120.870 121.223 0.061 0.000 2.044 318 L HA -0.141 5.344 4.340 1.907 0.000 0.205 318 L C 1.487 178.393 176.870 0.059 0.000 1.075 318 L CA 2.134 57.009 54.840 0.058 0.000 0.747 318 L CB -0.857 41.231 42.059 0.048 0.000 0.903 318 L HN -0.047 nan 8.230 nan 0.000 0.435 319 D N -0.564 119.875 120.400 0.066 0.000 2.144 319 D HA -0.150 5.635 4.640 1.907 0.000 0.199 319 D C 2.037 178.397 176.300 0.100 0.000 0.984 319 D CA 1.655 55.697 54.000 0.071 0.000 0.834 319 D CB -0.173 40.669 40.800 0.070 0.000 0.955 319 D HN 0.344 nan 8.370 nan 0.000 0.465 320 T N 0.747 115.378 114.554 0.128 0.000 2.701 320 T HA -0.086 5.409 4.350 1.907 0.000 0.263 320 T C 2.330 177.100 174.700 0.117 0.000 1.040 320 T CA 0.745 62.958 62.100 0.188 0.000 1.147 320 T CB -0.447 68.496 68.868 0.125 0.000 0.865 320 T HN -0.045 nan 8.240 nan 0.000 0.426 321 V N 1.769 121.706 119.914 0.039 0.000 2.252 321 V HA -0.186 5.078 4.120 1.907 0.000 0.249 321 V C 2.538 178.582 176.094 -0.084 0.000 1.056 321 V CA 1.699 63.974 62.300 -0.040 0.000 1.022 321 V CB -0.731 31.063 31.823 -0.047 0.000 0.641 321 V HN 0.438 nan 8.190 nan 0.000 0.445 322 L N -0.469 120.734 121.223 -0.034 0.000 2.046 322 L HA -0.207 5.278 4.340 1.907 0.000 0.208 322 L C 2.571 179.421 176.870 -0.033 0.000 1.077 322 L CA 2.018 56.829 54.840 -0.048 0.000 0.747 322 L CB -0.592 41.494 42.059 0.045 0.000 0.896 322 L HN 0.339 nan 8.230 nan 0.000 0.432 323 K N 0.037 120.447 120.400 0.018 0.000 2.103 323 K HA -0.109 5.356 4.320 1.907 0.000 0.204 323 K C 2.028 178.670 176.600 0.070 0.000 1.052 323 K CA 0.875 57.167 56.287 0.007 0.000 0.945 323 K CB 0.133 32.566 32.500 -0.113 0.000 0.722 323 K HN 0.024 nan 8.250 nan 0.000 0.443 324 V N 1.740 121.727 119.914 0.122 0.000 2.343 324 V HA -0.251 5.013 4.120 1.907 0.000 0.247 324 V C 2.262 178.315 176.094 -0.069 0.000 1.051 324 V CA 1.597 63.951 62.300 0.090 0.000 1.036 324 V CB -0.302 31.541 31.823 0.034 0.000 0.654 324 V HN 0.324 nan 8.190 nan 0.000 0.451 325 L N -0.231 120.834 121.223 -0.263 0.000 2.093 325 L HA -0.202 5.283 4.340 1.907 0.000 0.208 325 L C 2.578 179.269 176.870 -0.298 0.000 1.085 325 L CA 2.001 56.470 54.840 -0.618 0.000 0.755 325 L CB -0.526 40.683 42.059 -1.416 0.000 0.904 325 L HN 0.438 nan 8.230 nan 0.000 0.435 326 E N 0.814 121.001 120.200 -0.022 0.000 2.077 326 E HA -0.234 5.260 4.350 1.907 0.000 0.193 326 E C 2.283 178.989 176.600 0.177 0.000 0.989 326 E CA 1.247 57.778 56.400 0.219 0.000 0.800 326 E CB -0.044 29.765 29.700 0.181 0.000 0.746 326 E HN 0.450 nan 8.360 nan 0.000 0.452 327 I N 0.814 121.459 120.570 0.124 0.000 2.142 327 I HA -0.307 5.007 4.170 1.907 0.000 0.240 327 I C 2.440 178.677 176.117 0.200 0.000 1.078 327 I CA 1.038 62.430 61.300 0.153 0.000 1.343 327 I CB -0.226 37.878 38.000 0.175 0.000 1.046 327 I HN 0.232 nan 8.210 nan 0.000 0.405 328 L N 0.250 121.588 121.223 0.193 0.000 2.083 328 L HA -0.144 5.341 4.340 1.907 0.000 0.209 328 L C 2.562 179.648 176.870 0.360 0.000 1.083 328 L CA 1.505 56.521 54.840 0.294 0.000 0.752 328 L CB -1.079 41.039 42.059 0.099 0.000 0.899 328 L HN 0.341 nan 8.230 nan 0.000 0.433 329 G N -0.400 108.594 108.800 0.323 0.000 2.509 329 G HA2 -0.185 4.919 3.960 1.907 0.000 0.218 329 G HA3 -0.185 4.919 3.960 1.907 0.000 0.218 329 G C 1.663 176.722 174.900 0.264 0.000 1.124 329 G CA 0.309 45.647 45.100 0.397 0.000 0.776 329 G HN 0.311 nan 8.290 nan 0.000 0.547 330 K N -0.360 120.168 120.400 0.213 0.000 2.323 330 K HA 0.135 5.599 4.320 1.907 0.000 0.197 330 K C 1.902 178.553 176.600 0.085 0.000 1.043 330 K CA 0.282 56.649 56.287 0.133 0.000 0.997 330 K CB 0.283 32.850 32.500 0.111 0.000 0.807 330 K HN -0.045 nan 8.250 nan 0.000 0.497 331 K N -0.355 120.101 120.400 0.094 0.000 2.352 331 K HA 0.190 5.654 4.320 1.907 0.000 0.194 331 K C -0.107 176.273 176.600 -0.366 0.000 1.038 331 K CA 0.479 56.694 56.287 -0.120 0.000 1.023 331 K CB 0.471 32.885 32.500 -0.144 0.000 0.840 331 K HN -0.046 nan 8.250 nan 0.000 0.519 332 F N 1.207 121.233 119.950 0.126 0.000 2.593 332 F HA 0.339 6.011 4.527 1.909 0.000 0.320 332 F C -2.163 173.707 175.800 0.117 0.000 1.060 332 F CA -2.660 55.424 58.000 0.140 0.000 0.940 332 F CB 1.692 40.783 39.000 0.152 0.000 1.268 332 F HN -0.239 nan 8.300 nan 0.000 0.475 333 P HA 0.173 nan 4.420 nan 0.000 0.276 333 P C -0.815 176.571 177.300 0.143 0.000 1.264 333 P CA 0.048 63.255 63.100 0.178 0.000 0.769 333 P CB 0.956 32.750 31.700 0.156 0.000 0.840 334 V N 4.339 124.325 119.914 0.121 0.000 2.539 334 V HA 0.408 5.672 4.120 1.907 0.000 0.292 334 V C 1.093 177.212 176.094 0.041 0.000 1.045 334 V CA -0.138 62.221 62.300 0.097 0.000 0.945 334 V CB 1.561 33.454 31.823 0.116 0.000 0.993 334 V HN 0.699 nan 8.190 nan 0.000 0.464 335 T N 1.035 115.605 114.554 0.026 0.000 2.937 335 T HA 0.660 6.154 4.350 1.907 0.000 0.283 335 T C -0.577 174.116 174.700 -0.012 0.000 1.012 335 T CA -0.768 61.335 62.100 0.006 0.000 0.997 335 T CB 2.073 70.946 68.868 0.008 0.000 1.136 335 T HN 0.691 nan 8.240 nan 0.000 0.551 336 E N 1.310 121.500 120.200 -0.016 0.000 2.185 336 E HA 0.335 5.830 4.350 1.907 0.000 0.261 336 E C -0.359 176.243 176.600 0.003 0.000 0.879 336 E CA -0.890 55.495 56.400 -0.024 0.000 0.756 336 E CB 0.896 30.563 29.700 -0.054 0.000 1.152 336 E HN 0.735 nan 8.360 nan 0.000 0.416 337 N N 1.867 120.587 118.700 0.034 0.000 2.322 337 N HA -0.046 5.838 4.740 1.907 0.000 0.270 337 N C 0.768 176.305 175.510 0.046 0.000 1.286 337 N CA 0.262 53.339 53.050 0.046 0.000 0.948 337 N CB 0.538 39.066 38.487 0.068 0.000 1.164 337 N HN 0.359 nan 8.380 nan 0.000 0.551 338 S N -1.848 113.879 115.700 0.044 0.000 2.515 338 S HA -0.005 5.610 4.470 1.907 0.000 0.231 338 S C 0.962 175.594 174.600 0.053 0.000 0.987 338 S CA 0.367 58.587 58.200 0.035 0.000 0.936 338 S CB -0.242 62.974 63.200 0.026 0.000 0.766 338 S HN 0.487 nan 8.310 nan 0.000 0.528 339 K N 0.740 121.204 120.400 0.107 0.000 2.404 339 K HA 0.278 5.743 4.320 1.907 0.000 0.194 339 K C 1.438 178.129 176.600 0.151 0.000 1.023 339 K CA 0.634 57.026 56.287 0.174 0.000 1.094 339 K CB -0.150 32.504 32.500 0.257 0.000 0.841 339 K HN 0.587 nan 8.250 nan 0.000 0.523 340 G N 0.723 109.549 108.800 0.044 0.000 2.176 340 G HA2 -0.259 4.845 3.960 1.907 0.000 0.232 340 G HA3 -0.259 4.845 3.960 1.907 0.000 0.232 340 G C -0.320 174.411 174.900 -0.282 0.000 0.986 340 G CA -0.228 44.785 45.100 -0.145 0.000 0.643 340 G HN 0.228 nan 8.290 nan 0.000 0.522 341 Y N 1.020 121.293 120.300 -0.045 0.000 2.387 341 Y HA 0.602 6.311 4.550 1.931 0.000 0.330 341 Y C 1.040 176.888 175.900 -0.087 0.000 1.133 341 Y CA -0.665 57.399 58.100 -0.061 0.000 1.152 341 Y CB 1.017 39.478 38.460 0.002 0.000 1.215 341 Y HN -0.007 nan 8.280 nan 0.000 0.466 342 K N 2.386 122.756 120.400 -0.050 0.000 2.270 342 K HA 0.435 5.900 4.320 1.907 0.000 0.276 342 K C -1.395 175.263 176.600 0.097 0.000 1.023 342 K CA -0.622 55.575 56.287 -0.149 0.000 0.955 342 K CB 0.855 32.974 32.500 -0.636 0.000 0.975 342 K HN 0.321 nan 8.250 nan 0.000 0.471 343 L N 4.134 125.421 121.223 0.105 0.000 2.406 343 L HA 0.336 5.820 4.340 1.907 0.000 0.272 343 L C -0.953 175.988 176.870 0.119 0.000 0.980 343 L CA -0.482 54.440 54.840 0.136 0.000 0.831 343 L CB 1.279 43.377 42.059 0.065 0.000 1.253 343 L HN 0.567 nan 8.230 nan 0.000 0.406 344 L N 5.599 126.898 121.223 0.126 0.000 2.479 344 L HA 0.284 5.769 4.340 1.907 0.000 0.270 344 L C -1.737 175.054 176.870 -0.131 0.000 1.236 344 L CA -1.512 53.338 54.840 0.016 0.000 0.823 344 L CB -0.016 42.000 42.059 -0.072 0.000 1.098 344 L HN 0.511 nan 8.230 nan 0.000 0.500 345 P HA 0.028 nan 4.420 nan 0.000 0.270 345 P C -2.067 174.868 177.300 -0.607 0.000 1.223 345 P CA -1.092 61.702 63.100 -0.510 0.000 0.785 345 P CB -0.097 31.020 31.700 -0.972 0.000 0.923 346 P HA -0.150 nan 4.420 nan 0.000 0.222 346 P C 0.768 177.914 177.300 -0.258 0.000 1.147 346 P CA 1.529 64.461 63.100 -0.279 0.000 0.790 346 P CB -0.431 31.186 31.700 -0.138 0.000 0.780 347 Y N -1.573 118.670 120.300 -0.095 0.000 2.502 347 Y HA 0.511 6.207 4.550 1.910 0.000 0.295 347 Y C 0.443 176.213 175.900 -0.217 0.000 1.193 347 Y CA -1.234 56.788 58.100 -0.129 0.000 1.295 347 Y CB -0.798 37.606 38.460 -0.094 0.000 1.059 347 Y HN -0.211 nan 8.280 nan 0.000 0.514 348 L N 1.786 122.842 121.223 -0.279 0.000 2.439 348 L HA 0.663 6.147 4.340 1.907 0.000 0.270 348 L C -1.230 175.454 176.870 -0.309 0.000 0.972 348 L CA -1.075 53.570 54.840 -0.326 0.000 0.836 348 L CB 1.437 43.202 42.059 -0.491 0.000 1.255 348 L HN 0.043 nan 8.230 nan 0.000 0.404 349 R N 2.881 123.204 120.500 -0.295 0.000 2.831 349 R HA 0.832 6.316 4.340 1.907 0.000 0.266 349 R C -1.669 174.463 176.300 -0.279 0.000 1.051 349 R CA -0.834 55.113 56.100 -0.254 0.000 0.943 349 R CB 2.270 32.447 30.300 -0.204 0.000 1.228 349 R HN 0.358 nan 8.270 nan 0.000 0.467 350 V N 1.554 121.312 119.914 -0.261 0.000 2.789 350 V HA 0.573 5.837 4.120 1.907 0.000 0.311 350 V C -0.390 175.536 176.094 -0.280 0.000 1.073 350 V CA -0.864 61.275 62.300 -0.269 0.000 0.921 350 V CB 2.517 34.176 31.823 -0.274 0.000 1.009 350 V HN 0.642 nan 8.190 nan 0.000 0.426 351 I N 3.097 123.515 120.570 -0.252 0.000 2.466 351 I HA 0.549 5.863 4.170 1.907 0.000 0.289 351 I C -0.733 175.252 176.117 -0.221 0.000 1.026 351 I CA -0.640 60.501 61.300 -0.266 0.000 1.078 351 I CB 1.935 39.825 38.000 -0.183 0.000 1.249 351 I HN 0.781 nan 8.210 nan 0.000 0.429 352 Q N 5.634 125.251 119.800 -0.305 0.000 2.390 352 Q HA 0.472 5.956 4.340 1.907 0.000 0.249 352 Q C 0.041 176.027 176.000 -0.022 0.000 0.996 352 Q CA -0.153 55.567 55.803 -0.138 0.000 0.899 352 Q CB 1.489 30.153 28.738 -0.123 0.000 1.216 352 Q HN 0.765 nan 8.270 nan 0.000 0.465 353 G N 3.021 111.862 108.800 0.067 0.000 3.519 353 G HA2 0.095 5.200 3.960 1.907 0.000 0.269 353 G HA3 0.095 5.200 3.960 1.907 0.000 0.269 353 G C -0.584 174.441 174.900 0.210 0.000 1.028 353 G CA -0.211 44.987 45.100 0.164 0.000 0.809 353 G HN 0.606 nan 8.290 nan 0.000 0.521 354 D N -0.827 119.654 120.400 0.135 0.000 2.278 354 D HA 0.462 6.247 4.640 1.907 0.000 0.245 354 D C 1.099 177.451 176.300 0.086 0.000 1.052 354 D CA 0.315 54.383 54.000 0.112 0.000 0.834 354 D CB 1.139 41.992 40.800 0.088 0.000 1.194 354 D HN 0.214 nan 8.370 nan 0.000 0.481 355 G N 2.265 111.109 108.800 0.073 0.000 2.179 355 G HA2 -0.205 4.899 3.960 1.907 0.000 0.257 355 G HA3 -0.205 4.899 3.960 1.907 0.000 0.257 355 G C 0.036 174.960 174.900 0.039 0.000 1.010 355 G CA 0.294 45.425 45.100 0.052 0.000 0.736 355 G HN 0.557 nan 8.290 nan 0.000 0.513 356 V N 1.727 121.664 119.914 0.038 0.000 2.385 356 V HA 0.584 5.849 4.120 1.907 0.000 0.269 356 V C 0.258 176.328 176.094 -0.039 0.000 1.043 356 V CA 0.265 62.564 62.300 -0.002 0.000 0.906 356 V CB 1.221 33.054 31.823 0.016 0.000 0.995 356 V HN 0.644 nan 8.190 nan 0.000 0.467 357 D N 3.021 123.384 120.400 -0.062 0.000 2.652 357 D HA 0.289 6.074 4.640 1.907 0.000 0.285 357 D C 0.980 177.225 176.300 -0.090 0.000 1.173 357 D CA -0.875 53.092 54.000 -0.055 0.000 0.981 357 D CB 1.180 41.975 40.800 -0.008 0.000 1.440 357 D HN 0.264 nan 8.370 nan 0.000 0.485 358 I N 0.027 120.567 120.570 -0.051 0.000 2.248 358 I HA -0.299 5.016 4.170 1.907 0.000 0.248 358 I C 1.121 177.186 176.117 -0.086 0.000 1.107 358 I CA 1.486 62.746 61.300 -0.065 0.000 1.373 358 I CB -0.122 37.881 38.000 0.004 0.000 1.055 358 I HN 0.275 nan 8.210 nan 0.000 0.418 359 N N 0.295 118.964 118.700 -0.052 0.000 2.106 359 N HA -0.169 5.716 4.740 1.907 0.000 0.188 359 N C 1.877 177.341 175.510 -0.076 0.000 1.029 359 N CA 2.252 55.271 53.050 -0.052 0.000 0.848 359 N CB -0.855 37.620 38.487 -0.019 0.000 1.007 359 N HN 0.522 nan 8.380 nan 0.000 0.423 360 T N -0.066 114.443 114.554 -0.075 0.000 2.904 360 T HA 0.020 5.514 4.350 1.907 0.000 0.267 360 T C 2.138 176.746 174.700 -0.153 0.000 1.059 360 T CA 0.287 62.343 62.100 -0.074 0.000 1.137 360 T CB -0.524 68.324 68.868 -0.033 0.000 0.879 360 T HN 0.084 nan 8.240 nan 0.000 0.467 361 L N 0.784 121.853 121.223 -0.257 0.000 1.990 361 L HA -0.214 5.271 4.340 1.907 0.000 0.213 361 L C 3.010 179.635 176.870 -0.408 0.000 1.072 361 L CA 2.264 56.797 54.840 -0.512 0.000 0.755 361 L CB -0.524 41.188 42.059 -0.578 0.000 0.889 361 L HN 0.326 nan 8.230 nan 0.000 0.432 362 Q N 0.283 119.915 119.800 -0.279 0.000 2.061 362 Q HA -0.291 5.194 4.340 1.907 0.000 0.204 362 Q C 1.900 177.765 176.000 -0.225 0.000 0.984 362 Q CA 2.392 58.043 55.803 -0.254 0.000 0.846 362 Q CB -0.229 28.423 28.738 -0.144 0.000 0.902 362 Q HN 0.591 nan 8.270 nan 0.000 0.421 363 E N -0.216 119.902 120.200 -0.137 0.000 2.085 363 E HA -0.171 5.323 4.350 1.907 0.000 0.194 363 E C 2.066 178.625 176.600 -0.067 0.000 0.994 363 E CA 1.502 57.856 56.400 -0.076 0.000 0.801 363 E CB -0.229 29.450 29.700 -0.035 0.000 0.743 363 E HN 0.478 nan 8.360 nan 0.000 0.453 364 I N 0.955 121.487 120.570 -0.064 0.000 2.202 364 I HA -0.227 5.087 4.170 1.907 0.000 0.242 364 I C 2.654 178.769 176.117 -0.003 0.000 1.091 364 I CA 0.965 62.279 61.300 0.024 0.000 1.368 364 I CB -0.508 37.594 38.000 0.171 0.000 1.058 364 I HN 0.087 nan 8.210 nan 0.000 0.410 365 V N -0.698 119.128 119.914 -0.145 0.000 2.427 365 V HA -0.214 5.050 4.120 1.907 0.000 0.248 365 V C 2.372 178.283 176.094 -0.305 0.000 1.051 365 V CA 2.034 64.188 62.300 -0.244 0.000 1.048 365 V CB -0.853 30.684 31.823 -0.476 0.000 0.666 365 V HN 0.401 nan 8.190 nan 0.000 0.456 366 E N 2.190 122.163 120.200 -0.378 0.000 2.106 366 E HA -0.010 5.484 4.350 1.907 0.000 0.192 366 E C 2.144 178.798 176.600 0.090 0.000 0.984 366 E CA 1.858 58.237 56.400 -0.035 0.000 0.806 366 E CB -0.998 28.706 29.700 0.006 0.000 0.750 366 E HN 0.575 nan 8.360 nan 0.000 0.458 367 G N 0.155 108.986 108.800 0.051 0.000 2.408 367 G HA2 -0.223 4.881 3.960 1.907 0.000 0.217 367 G HA3 -0.223 4.881 3.960 1.907 0.000 0.217 367 G C 1.631 176.624 174.900 0.155 0.000 1.150 367 G CA 0.900 46.057 45.100 0.096 0.000 0.776 367 G HN 0.240 nan 8.290 nan 0.000 0.542 368 M N 0.054 119.750 119.600 0.161 0.000 2.067 368 M HA -0.008 5.616 4.480 1.907 0.000 0.260 368 M C 2.546 179.044 176.300 0.330 0.000 1.069 368 M CA 1.648 57.102 55.300 0.257 0.000 1.117 368 M CB -0.238 32.483 32.600 0.203 0.000 1.334 368 M HN 0.200 nan 8.290 nan 0.000 0.407 369 K N 0.406 120.981 120.400 0.291 0.000 2.063 369 K HA -0.244 5.221 4.320 1.907 0.000 0.208 369 K C 1.870 178.673 176.600 0.339 0.000 1.048 369 K CA 1.748 58.252 56.287 0.361 0.000 0.928 369 K CB -0.084 32.642 32.500 0.376 0.000 0.713 369 K HN 0.393 nan 8.250 nan 0.000 0.442 370 Q N -0.077 119.869 119.800 0.243 0.000 2.170 370 Q HA -0.088 5.397 4.340 1.907 0.000 0.203 370 Q C 1.206 177.294 176.000 0.147 0.000 0.976 370 Q CA 1.188 57.095 55.803 0.173 0.000 0.858 370 Q CB 0.214 29.034 28.738 0.136 0.000 0.907 370 Q HN 0.091 nan 8.270 nan 0.000 0.433 371 K N -0.248 120.271 120.400 0.198 0.000 2.437 371 K HA 0.112 5.576 4.320 1.907 0.000 0.198 371 K C 0.031 176.660 176.600 0.048 0.000 1.024 371 K CA 0.037 56.427 56.287 0.171 0.000 1.148 371 K CB 0.668 33.365 32.500 0.328 0.000 0.860 371 K HN 0.221 nan 8.250 nan 0.000 0.515 372 M N -1.546 118.116 119.600 0.102 0.000 2.818 372 M HA -0.194 5.431 4.480 1.907 0.000 0.204 372 M C -1.125 175.171 176.300 -0.007 0.000 0.552 372 M CA 0.784 56.070 55.300 -0.023 0.000 0.687 372 M CB -2.620 29.805 32.600 -0.292 0.000 2.512 372 M HN 0.185 nan 8.290 nan 0.000 0.563 373 W N 0.814 122.271 121.300 0.262 0.000 2.361 373 W HA 0.551 6.348 4.660 1.895 0.000 0.309 373 W C 1.039 177.676 176.519 0.197 0.000 1.122 373 W CA -0.283 57.178 57.345 0.192 0.000 1.208 373 W CB 1.039 30.563 29.460 0.106 0.000 1.246 373 W HN 0.230 nan 8.180 nan 0.000 0.490 374 S N 3.365 119.301 115.700 0.394 0.000 2.560 374 S HA 0.019 5.634 4.470 1.907 0.000 0.284 374 S C 1.232 175.919 174.600 0.146 0.000 1.327 374 S CA -0.427 57.878 58.200 0.175 0.000 1.055 374 S CB 0.426 63.712 63.200 0.145 0.000 0.868 374 S HN 0.405 nan 8.310 nan 0.000 0.506 375 I N 3.916 124.527 120.570 0.067 0.000 2.916 375 I HA -0.055 5.259 4.170 1.907 0.000 0.267 375 I C 2.068 178.219 176.117 0.056 0.000 1.263 375 I CA 0.967 62.318 61.300 0.084 0.000 1.471 375 I CB -1.691 36.377 38.000 0.114 0.000 1.089 375 I HN 0.760 nan 8.210 nan 0.000 0.468 376 E N 1.111 121.338 120.200 0.045 0.000 2.171 376 E HA -0.220 5.274 4.350 1.907 0.000 0.197 376 E C 1.646 178.243 176.600 -0.005 0.000 0.997 376 E CA 1.015 57.429 56.400 0.024 0.000 0.810 376 E CB -0.154 29.560 29.700 0.024 0.000 0.738 376 E HN 0.553 nan 8.360 nan 0.000 0.467 377 N N 0.270 118.974 118.700 0.006 0.000 2.381 377 N HA -0.058 5.827 4.740 1.907 0.000 0.182 377 N C 0.436 175.862 175.510 -0.140 0.000 1.025 377 N CA 0.636 53.655 53.050 -0.052 0.000 0.888 377 N CB 0.239 38.718 38.487 -0.012 0.000 0.965 377 N HN 0.124 nan 8.380 nan 0.000 0.438 378 I N -0.173 120.310 120.570 -0.145 0.000 2.646 378 I HA 0.523 5.838 4.170 1.907 0.000 0.299 378 I C -0.938 174.992 176.117 -0.311 0.000 1.036 378 I CA -0.860 60.261 61.300 -0.298 0.000 1.074 378 I CB 1.891 39.672 38.000 -0.366 0.000 1.258 378 I HN -0.071 nan 8.210 nan 0.000 0.430 379 A N 5.162 127.705 122.820 -0.461 0.000 2.485 379 A HA 0.873 6.338 4.320 1.907 0.000 0.292 379 A C -1.727 175.441 177.584 -0.692 0.000 1.147 379 A CA -0.430 51.388 52.037 -0.365 0.000 0.750 379 A CB 0.906 19.820 19.000 -0.144 0.000 1.331 379 A HN 0.487 nan 8.150 nan 0.000 0.419 380 F N -0.558 119.306 119.950 -0.145 0.000 2.563 380 F HA 0.661 6.340 4.527 1.921 0.000 0.316 380 F C 0.790 176.365 175.800 -0.374 0.000 1.076 380 F CA -0.306 57.565 58.000 -0.216 0.000 0.921 380 F CB 2.719 41.604 39.000 -0.192 0.000 1.209 380 F HN 0.758 nan 8.300 nan 0.000 0.462 381 G N 0.261 108.825 108.800 -0.393 0.000 2.495 381 G HA2 0.532 5.636 3.960 1.907 0.000 0.318 381 G HA3 0.532 5.636 3.960 1.907 0.000 0.318 381 G C -1.621 172.954 174.900 -0.541 0.000 1.257 381 G CA -0.710 43.720 45.100 -1.118 0.000 0.962 381 G HN 0.595 nan 8.290 nan 0.000 0.483 382 S N 0.250 115.706 115.700 -0.406 0.000 2.575 382 S HA 0.714 6.329 4.470 1.907 0.000 0.278 382 S C 0.697 175.286 174.600 -0.017 0.000 1.139 382 S CA 0.167 58.288 58.200 -0.131 0.000 0.954 382 S CB 1.469 64.573 63.200 -0.161 0.000 1.054 382 S HN 0.996 nan 8.310 nan 0.000 0.483 383 G N 2.988 111.845 108.800 0.095 0.000 2.534 383 G HA2 0.333 5.437 3.960 1.907 0.000 0.224 383 G HA3 0.333 5.437 3.960 1.907 0.000 0.224 383 G C 1.299 176.242 174.900 0.073 0.000 1.822 383 G CA 0.487 45.663 45.100 0.128 0.000 0.805 383 G HN 0.949 nan 8.290 nan 0.000 0.649 384 G N 0.637 109.484 108.800 0.079 0.000 2.422 384 G HA2 0.090 5.195 3.960 1.907 0.000 0.218 384 G HA3 0.090 5.195 3.960 1.907 0.000 0.218 384 G C 1.714 176.649 174.900 0.059 0.000 1.146 384 G CA 1.552 46.695 45.100 0.070 0.000 0.769 384 G HN 0.719 nan 8.290 nan 0.000 0.547 385 G N 0.337 109.160 108.800 0.039 0.000 2.443 385 G HA2 -0.045 5.059 3.960 1.907 0.000 0.219 385 G HA3 -0.045 5.059 3.960 1.907 0.000 0.219 385 G C 1.657 176.565 174.900 0.014 0.000 1.131 385 G CA 0.969 46.085 45.100 0.027 0.000 0.775 385 G HN 0.405 nan 8.290 nan 0.000 0.547 386 L N -0.528 120.684 121.223 -0.018 0.000 2.168 386 L HA 0.393 5.877 4.340 1.907 0.000 0.203 386 L C 2.228 179.087 176.870 -0.018 0.000 1.078 386 L CA 1.285 56.085 54.840 -0.067 0.000 0.780 386 L CB 0.004 41.945 42.059 -0.197 0.000 0.939 386 L HN 0.148 nan 8.230 nan 0.000 0.451 387 L N -1.732 119.512 121.223 0.034 0.000 2.701 387 L HA 0.221 5.706 4.340 1.907 0.000 0.238 387 L C 1.713 178.722 176.870 0.231 0.000 1.106 387 L CA 0.130 55.041 54.840 0.119 0.000 0.898 387 L CB 0.346 42.468 42.059 0.105 0.000 1.188 387 L HN 0.294 nan 8.230 nan 0.000 0.508 388 Q N 0.598 120.496 119.800 0.164 0.000 2.471 388 Q HA 0.066 5.550 4.340 1.907 0.000 0.259 388 Q C 1.070 177.168 176.000 0.164 0.000 0.850 388 Q CA 0.530 56.430 55.803 0.162 0.000 0.981 388 Q CB 0.550 29.350 28.738 0.104 0.000 1.180 388 Q HN 0.041 nan 8.270 nan 0.000 0.571 389 K N 1.380 121.856 120.400 0.127 0.000 2.715 389 K HA 0.255 5.719 4.320 1.907 0.000 0.248 389 K C -1.222 175.457 176.600 0.133 0.000 1.276 389 K CA 0.078 56.430 56.287 0.109 0.000 1.209 389 K CB -0.747 31.799 32.500 0.077 0.000 1.509 389 K HN 0.168 nan 8.250 nan 0.000 0.261 390 L N 0.833 122.175 121.223 0.198 0.000 2.482 390 L HA 0.355 5.839 4.340 1.907 0.000 0.263 390 L C -0.321 176.731 176.870 0.304 0.000 0.957 390 L CA -0.920 54.071 54.840 0.252 0.000 0.836 390 L CB 2.337 44.598 42.059 0.338 0.000 1.324 390 L HN 0.262 nan 8.230 nan 0.000 0.406 391 T N -2.364 112.242 114.554 0.086 0.000 2.916 391 T HA 0.390 5.884 4.350 1.907 0.000 0.292 391 T C 0.649 174.931 174.700 -0.697 0.000 1.064 391 T CA -0.795 61.122 62.100 -0.305 0.000 1.011 391 T CB 2.205 70.938 68.868 -0.226 0.000 1.152 391 T HN 0.670 nan 8.240 nan 0.000 0.510 392 R N -0.063 119.578 120.500 -1.431 0.000 2.249 392 R HA -0.102 5.382 4.340 1.907 0.000 0.230 392 R C 0.810 176.872 176.300 -0.395 0.000 1.121 392 R CA 1.582 57.045 56.100 -1.063 0.000 0.997 392 R CB -0.328 29.253 30.300 -1.198 0.000 0.867 392 R HN 0.643 nan 8.270 nan 0.000 0.465 393 D N 0.246 120.461 120.400 -0.309 0.000 2.277 393 D HA -0.124 5.661 4.640 1.907 0.000 0.208 393 D C 1.690 177.927 176.300 -0.105 0.000 0.962 393 D CA 0.430 54.331 54.000 -0.164 0.000 0.865 393 D CB 0.013 40.737 40.800 -0.127 0.000 0.939 393 D HN 0.181 nan 8.370 nan 0.000 0.510 394 L N 0.282 121.440 121.223 -0.107 0.000 2.042 394 L HA -0.109 5.375 4.340 1.907 0.000 0.210 394 L C 1.632 178.437 176.870 -0.110 0.000 1.076 394 L CA 1.592 56.369 54.840 -0.104 0.000 0.749 394 L CB -0.075 41.897 42.059 -0.145 0.000 0.893 394 L HN -0.007 nan 8.230 nan 0.000 0.432 395 L N -1.245 119.940 121.223 -0.063 0.000 2.769 395 L HA 0.247 5.732 4.340 1.907 0.000 0.240 395 L C 0.421 177.284 176.870 -0.013 0.000 1.163 395 L CA -0.197 54.632 54.840 -0.019 0.000 0.962 395 L CB -0.413 41.666 42.059 0.035 0.000 1.258 395 L HN 0.247 nan 8.230 nan 0.000 0.513 396 N N 0.010 118.684 118.700 -0.044 0.000 2.727 396 N HA -0.175 5.709 4.740 1.907 0.000 0.249 396 N C -0.087 175.357 175.510 -0.110 0.000 1.048 396 N CA 0.326 53.335 53.050 -0.068 0.000 0.714 396 N CB -1.027 37.432 38.487 -0.047 0.000 0.959 396 N HN 0.363 nan 8.380 nan 0.000 0.544 397 C N -0.077 119.164 119.300 -0.099 0.000 2.642 397 C HA 0.490 6.094 4.460 1.907 0.000 0.420 397 C C 1.116 175.952 174.990 -0.257 0.000 1.349 397 C CA -0.325 58.566 59.018 -0.211 0.000 1.821 397 C CB 0.485 28.317 27.740 0.154 0.000 2.637 397 C HN 0.510 nan 8.230 nan 0.000 0.605 398 S N 1.779 117.176 115.700 -0.504 0.000 2.563 398 S HA 0.557 6.172 4.470 1.907 0.000 0.279 398 S C -1.364 173.023 174.600 -0.356 0.000 1.155 398 S CA -0.463 57.569 58.200 -0.281 0.000 0.928 398 S CB 0.657 63.716 63.200 -0.234 0.000 1.107 398 S HN 0.590 nan 8.310 nan 0.000 0.462 399 F N 5.124 124.928 119.950 -0.242 0.000 2.426 399 F HA 0.755 6.426 4.527 1.907 0.000 0.348 399 F C -0.354 175.319 175.800 -0.212 0.000 1.124 399 F CA -0.294 57.578 58.000 -0.214 0.000 1.008 399 F CB 0.812 39.850 39.000 0.063 0.000 1.139 399 F HN 0.384 nan 8.300 nan 0.000 0.452 400 K N 5.077 125.132 120.400 -0.575 0.000 2.469 400 K HA 0.293 5.758 4.320 1.907 0.000 0.254 400 K C -1.371 175.097 176.600 -0.219 0.000 0.939 400 K CA -0.662 55.464 56.287 -0.269 0.000 0.812 400 K CB 1.719 34.114 32.500 -0.175 0.000 1.301 400 K HN 0.716 nan 8.250 nan 0.000 0.433 401 C N 2.156 121.471 119.300 0.024 0.000 2.585 401 C HA 0.284 5.889 4.460 1.907 0.000 0.406 401 C C 1.593 176.728 174.990 0.242 0.000 1.312 401 C CA 0.334 59.435 59.018 0.138 0.000 1.924 401 C CB -1.085 26.768 27.740 0.188 0.000 2.578 401 C HN 0.861 nan 8.230 nan 0.000 0.580 402 S N 3.438 119.351 115.700 0.355 0.000 2.604 402 S HA 0.238 5.853 4.470 1.907 0.000 0.235 402 S C -0.321 174.505 174.600 0.376 0.000 1.043 402 S CA -0.153 58.272 58.200 0.375 0.000 0.997 402 S CB 0.055 63.470 63.200 0.359 0.000 0.956 402 S HN 0.948 nan 8.310 nan 0.000 0.535 403 Y N 0.517 120.952 120.300 0.225 0.000 2.442 403 Y HA 0.627 6.322 4.550 1.907 0.000 0.330 403 Y C -1.745 174.224 175.900 0.114 0.000 1.100 403 Y CA -0.856 57.301 58.100 0.094 0.000 1.034 403 Y CB 1.781 40.166 38.460 -0.125 0.000 1.285 403 Y HN 0.023 nan 8.280 nan 0.000 0.440 404 V N 5.842 125.500 119.914 -0.428 0.000 2.876 404 V HA 0.619 5.883 4.120 1.907 0.000 0.312 404 V C -1.160 174.599 176.094 -0.558 0.000 1.085 404 V CA -0.967 61.135 62.300 -0.329 0.000 0.945 404 V CB 2.157 33.906 31.823 -0.124 0.000 1.017 404 V HN 0.566 nan 8.190 nan 0.000 0.428 405 V N 2.690 122.413 119.914 -0.317 0.000 2.384 405 V HA 0.608 5.872 4.120 1.907 0.000 0.287 405 V C -0.107 175.899 176.094 -0.147 0.000 1.020 405 V CA -0.177 61.985 62.300 -0.230 0.000 0.850 405 V CB 1.819 33.576 31.823 -0.110 0.000 0.987 405 V HN 0.991 nan 8.190 nan 0.000 0.436 406 T N 4.400 118.876 114.554 -0.129 0.000 2.881 406 T HA 0.389 5.884 4.350 1.907 0.000 0.291 406 T C 0.198 174.853 174.700 -0.075 0.000 0.990 406 T CA -0.509 61.530 62.100 -0.102 0.000 0.976 406 T CB 0.785 69.598 68.868 -0.092 0.000 0.970 406 T HN 0.680 nan 8.240 nan 0.000 0.438 407 N N 1.982 120.642 118.700 -0.066 0.000 2.740 407 N HA -0.232 5.653 4.740 1.907 0.000 0.248 407 N C 1.166 176.655 175.510 -0.036 0.000 1.062 407 N CA 1.484 54.507 53.050 -0.046 0.000 0.704 407 N CB -1.193 37.270 38.487 -0.040 0.000 0.968 407 N HN 1.363 nan 8.380 nan 0.000 0.547 408 G N -1.765 107.013 108.800 -0.036 0.000 2.189 408 G HA2 -0.315 4.789 3.960 1.907 0.000 0.267 408 G HA3 -0.315 4.789 3.960 1.907 0.000 0.267 408 G C -0.144 174.744 174.900 -0.020 0.000 0.975 408 G CA 0.495 45.583 45.100 -0.021 0.000 0.644 408 G HN 0.387 nan 8.290 nan 0.000 0.537 409 L N 1.675 122.875 121.223 -0.039 0.000 2.287 409 L HA 0.651 6.136 4.340 1.907 0.000 0.287 409 L C 1.087 177.903 176.870 -0.089 0.000 1.022 409 L CA 0.233 55.050 54.840 -0.039 0.000 0.814 409 L CB 0.783 42.820 42.059 -0.037 0.000 1.217 409 L HN 0.225 nan 8.230 nan 0.000 0.420 410 G N 5.729 114.488 108.800 -0.068 0.000 2.378 410 G HA2 0.466 5.570 3.960 1.907 0.000 0.255 410 G HA3 0.466 5.570 3.960 1.907 0.000 0.255 410 G C -0.299 174.493 174.900 -0.181 0.000 1.270 410 G CA -0.281 44.681 45.100 -0.230 0.000 0.876 410 G HN 0.677 nan 8.290 nan 0.000 0.521 411 I N -0.589 119.780 120.570 -0.336 0.000 2.689 411 I HA 0.509 5.824 4.170 1.907 0.000 0.299 411 I C -1.032 175.056 176.117 -0.049 0.000 1.059 411 I CA -1.475 59.758 61.300 -0.112 0.000 1.055 411 I CB 2.498 40.460 38.000 -0.063 0.000 1.243 411 I HN 0.142 nan 8.210 nan 0.000 0.425 412 N N 5.221 123.989 118.700 0.112 0.000 2.422 412 N HA 0.458 6.343 4.740 1.907 0.000 0.264 412 N C -0.364 175.297 175.510 0.251 0.000 1.063 412 N CA -0.264 52.906 53.050 0.199 0.000 0.959 412 N CB 1.734 40.309 38.487 0.146 0.000 1.087 412 N HN 0.623 nan 8.380 nan 0.000 0.483 413 V N -0.237 119.846 119.914 0.281 0.000 3.046 413 V HA 0.969 6.234 4.120 1.907 0.000 0.316 413 V C -0.568 175.791 176.094 0.441 0.000 1.104 413 V CA -0.946 61.536 62.300 0.305 0.000 1.006 413 V CB 1.557 33.456 31.823 0.127 0.000 1.058 413 V HN 0.580 nan 8.190 nan 0.000 0.440 414 F N -0.576 119.419 119.950 0.074 0.000 2.799 414 F HA 0.725 6.396 4.527 1.907 0.000 0.316 414 F C -1.099 174.735 175.800 0.057 0.000 1.155 414 F CA -1.252 56.795 58.000 0.079 0.000 0.916 414 F CB 1.329 40.369 39.000 0.066 0.000 1.294 414 F HN 0.821 nan 8.300 nan 0.000 0.447 415 K N 0.364 120.761 120.400 -0.004 0.000 2.166 415 K HA 0.701 6.165 4.320 1.907 0.000 0.245 415 K C -1.720 174.940 176.600 0.102 0.000 0.967 415 K CA -0.717 55.518 56.287 -0.088 0.000 0.863 415 K CB 2.189 34.678 32.500 -0.017 0.000 1.107 415 K HN 0.698 nan 8.250 nan 0.000 0.436 416 D N 2.000 122.429 120.400 0.048 0.000 2.823 416 D HA 0.282 6.067 4.640 1.907 0.000 0.255 416 D C -2.554 173.785 176.300 0.064 0.000 1.257 416 D CA -1.365 52.718 54.000 0.138 0.000 0.803 416 D CB 0.692 41.664 40.800 0.286 0.000 1.384 416 D HN 0.359 nan 8.370 nan 0.000 0.541 417 P HA 0.007 nan 4.420 nan 0.000 0.264 417 P C 1.254 178.571 177.300 0.027 0.000 1.193 417 P CA -0.386 62.726 63.100 0.021 0.000 0.763 417 P CB 1.417 33.126 31.700 0.016 0.000 0.810 418 V N 3.310 123.236 119.914 0.020 0.000 2.324 418 V HA -0.279 4.985 4.120 1.907 0.000 0.250 418 V C 1.772 177.877 176.094 0.019 0.000 1.060 418 V CA 2.760 65.073 62.300 0.021 0.000 1.042 418 V CB -0.961 30.871 31.823 0.015 0.000 0.650 418 V HN 0.702 nan 8.190 nan 0.000 0.450 419 A N -1.410 121.419 122.820 0.014 0.000 2.275 419 A HA 0.164 5.629 4.320 1.907 0.000 0.212 419 A C 0.787 178.379 177.584 0.013 0.000 1.201 419 A CA 0.769 52.813 52.037 0.012 0.000 0.843 419 A CB -0.078 18.927 19.000 0.008 0.000 0.873 419 A HN 0.576 nan 8.150 nan 0.000 0.492 420 D N -1.184 119.226 120.400 0.017 0.000 2.472 420 D HA 0.275 6.060 4.640 1.907 0.000 0.248 420 D C -2.407 173.909 176.300 0.026 0.000 1.271 420 D CA -1.437 52.574 54.000 0.018 0.000 0.888 420 D CB 1.187 41.995 40.800 0.012 0.000 1.337 420 D HN -0.083 nan 8.370 nan 0.000 0.526 421 P HA -0.090 nan 4.420 nan 0.000 0.220 421 P C 1.194 178.515 177.300 0.034 0.000 1.144 421 P CA 0.667 63.788 63.100 0.036 0.000 0.800 421 P CB 0.349 32.066 31.700 0.029 0.000 0.772 422 N N -0.307 118.408 118.700 0.025 0.000 2.381 422 N HA -0.090 5.795 4.740 1.907 0.000 0.182 422 N C 1.122 176.645 175.510 0.021 0.000 1.025 422 N CA 0.888 53.951 53.050 0.021 0.000 0.888 422 N CB -0.035 38.460 38.487 0.013 0.000 0.965 422 N HN 0.313 nan 8.380 nan 0.000 0.438 423 K N 0.814 121.229 120.400 0.025 0.000 2.404 423 K HA 0.076 5.540 4.320 1.907 0.000 0.194 423 K C 0.582 177.215 176.600 0.055 0.000 1.023 423 K CA -0.241 56.062 56.287 0.027 0.000 1.094 423 K CB 0.449 32.961 32.500 0.019 0.000 0.841 423 K HN 0.080 nan 8.250 nan 0.000 0.523 424 R N 2.435 122.980 120.500 0.074 0.000 2.538 424 R HA -0.027 5.457 4.340 1.907 0.000 0.282 424 R C -0.098 176.283 176.300 0.135 0.000 1.009 424 R CA 0.301 56.474 56.100 0.121 0.000 1.063 424 R CB 0.441 30.806 30.300 0.109 0.000 0.945 424 R HN 0.072 nan 8.270 nan 0.000 0.414 425 S N 3.119 118.941 115.700 0.204 0.000 2.718 425 S HA 0.409 6.023 4.470 1.907 0.000 0.300 425 S C -0.580 174.163 174.600 0.238 0.000 1.117 425 S CA -1.017 57.328 58.200 0.242 0.000 1.002 425 S CB 1.768 65.117 63.200 0.249 0.000 1.092 425 S HN 0.569 nan 8.310 nan 0.000 0.542 426 K N 0.675 121.208 120.400 0.223 0.000 2.202 426 K HA 0.332 5.796 4.320 1.907 0.000 0.264 426 K C -0.383 176.238 176.600 0.036 0.000 1.010 426 K CA -0.398 55.883 56.287 -0.011 0.000 0.940 426 K CB 0.552 32.863 32.500 -0.315 0.000 0.983 426 K HN 0.494 nan 8.250 nan 0.000 0.475 427 K N 1.041 121.406 120.400 -0.057 0.000 2.206 427 K HA 0.380 5.844 4.320 1.907 0.000 0.264 427 K C 0.093 176.688 176.600 -0.008 0.000 0.967 427 K CA -0.350 55.934 56.287 -0.004 0.000 0.844 427 K CB 1.697 34.103 32.500 -0.157 0.000 1.099 427 K HN 0.852 nan 8.250 nan 0.000 0.441 428 G N 2.279 111.133 108.800 0.090 0.000 2.642 428 G HA2 -0.284 4.821 3.960 1.907 0.000 0.231 428 G HA3 -0.284 4.821 3.960 1.907 0.000 0.231 428 G C -0.813 173.994 174.900 -0.156 0.000 1.338 428 G CA -0.740 44.388 45.100 0.046 0.000 0.883 428 G HN 0.625 nan 8.290 nan 0.000 0.570 429 R N -0.722 119.489 120.500 -0.481 0.000 2.490 429 R HA 0.616 6.101 4.340 1.907 0.000 0.280 429 R C 0.240 176.379 176.300 -0.268 0.000 1.077 429 R CA -0.154 55.526 56.100 -0.699 0.000 1.065 429 R CB 0.464 30.216 30.300 -0.914 0.000 1.003 429 R HN 0.449 nan 8.270 nan 0.000 0.470 430 L N 0.939 122.115 121.223 -0.078 0.000 2.354 430 L HA 0.588 6.072 4.340 1.907 0.000 0.264 430 L C -0.343 176.533 176.870 0.009 0.000 1.008 430 L CA -0.725 54.090 54.840 -0.041 0.000 0.819 430 L CB 2.276 44.281 42.059 -0.090 0.000 1.339 430 L HN 0.798 nan 8.230 nan 0.000 0.420 431 S N 1.339 117.036 115.700 -0.004 0.000 2.570 431 S HA 0.723 6.337 4.470 1.907 0.000 0.270 431 S C -1.431 173.101 174.600 -0.114 0.000 1.149 431 S CA -0.790 57.391 58.200 -0.031 0.000 0.837 431 S CB 2.266 65.525 63.200 0.098 0.000 1.124 431 S HN 0.434 nan 8.310 nan 0.000 0.465 432 L N 1.736 122.781 121.223 -0.296 0.000 2.322 432 L HA 0.774 6.258 4.340 1.907 0.000 0.281 432 L C -1.466 175.124 176.870 -0.467 0.000 1.014 432 L CA 0.075 54.793 54.840 -0.204 0.000 0.815 432 L CB 1.073 43.101 42.059 -0.052 0.000 1.247 432 L HN 0.970 nan 8.230 nan 0.000 0.421 433 H N 2.511 121.615 119.070 0.056 0.000 2.851 433 H HA 0.643 6.343 4.556 1.907 0.000 0.372 433 H C -0.747 174.595 175.328 0.023 0.000 1.158 433 H CA -1.003 55.070 56.048 0.041 0.000 1.159 433 H CB 1.266 31.003 29.762 -0.041 0.000 1.757 433 H HN 0.346 nan 8.280 nan 0.000 0.546 434 R N 1.211 121.768 120.500 0.095 0.000 2.489 434 R HA 0.161 5.646 4.340 1.907 0.000 0.287 434 R C 0.004 176.366 176.300 0.103 0.000 1.053 434 R CA -0.307 55.751 56.100 -0.071 0.000 1.036 434 R CB 0.002 30.269 30.300 -0.056 0.000 0.966 434 R HN 0.863 nan 8.270 nan 0.000 0.432 435 T N 0.733 115.315 114.554 0.048 0.000 2.847 435 T HA 0.332 5.826 4.350 1.907 0.000 0.279 435 T C -1.505 173.229 174.700 0.057 0.000 0.984 435 T CA -1.649 60.557 62.100 0.178 0.000 0.988 435 T CB 1.063 70.020 68.868 0.148 0.000 1.040 435 T HN 0.287 nan 8.240 nan 0.000 0.528 436 P HA -0.043 nan 4.420 nan 0.000 0.217 436 P C 1.231 178.519 177.300 -0.021 0.000 1.151 436 P CA 1.443 64.529 63.100 -0.023 0.000 0.849 436 P CB -0.294 31.378 31.700 -0.047 0.000 0.787 437 A N -1.505 121.308 122.820 -0.011 0.000 2.259 437 A HA 0.448 5.912 4.320 1.907 0.000 0.208 437 A C 1.569 179.131 177.584 -0.037 0.000 1.201 437 A CA 0.695 52.721 52.037 -0.018 0.000 0.824 437 A CB -1.202 17.795 19.000 -0.005 0.000 0.838 437 A HN 0.264 nan 8.150 nan 0.000 0.485 438 G N -0.714 108.048 108.800 -0.064 0.000 2.141 438 G HA2 -0.272 4.832 3.960 1.907 0.000 0.242 438 G HA3 -0.272 4.832 3.960 1.907 0.000 0.242 438 G C 0.118 174.895 174.900 -0.204 0.000 0.982 438 G CA 0.368 45.394 45.100 -0.123 0.000 0.662 438 G HN 0.651 nan 8.290 nan 0.000 0.527 439 N N -1.059 117.551 118.700 -0.151 0.000 2.531 439 N HA 0.776 6.660 4.740 1.907 0.000 0.301 439 N C -0.402 174.914 175.510 -0.322 0.000 1.310 439 N CA -0.426 52.549 53.050 -0.125 0.000 0.949 439 N CB 0.416 38.926 38.487 0.037 0.000 1.111 439 N HN 0.087 nan 8.380 nan 0.000 0.565 440 F N -0.167 119.811 119.950 0.048 0.000 2.546 440 F HA 0.650 6.321 4.527 1.906 0.000 0.320 440 F C -0.261 175.549 175.800 0.017 0.000 1.076 440 F CA -0.817 57.209 58.000 0.044 0.000 0.928 440 F CB 1.652 40.677 39.000 0.041 0.000 1.189 440 F HN -0.028 nan 8.300 nan 0.000 0.465 441 V N 1.457 121.464 119.914 0.155 0.000 2.888 441 V HA 0.568 5.833 4.120 1.907 0.000 0.309 441 V C -0.978 175.121 176.094 0.008 0.000 1.114 441 V CA -0.276 62.038 62.300 0.022 0.000 0.940 441 V CB 2.421 34.161 31.823 -0.139 0.000 1.021 441 V HN 0.767 nan 8.190 nan 0.000 0.426 442 T N 7.705 122.247 114.554 -0.020 0.000 2.733 442 T HA 0.527 6.021 4.350 1.907 0.000 0.294 442 T C -0.246 174.407 174.700 -0.078 0.000 0.956 442 T CA -0.086 61.990 62.100 -0.039 0.000 0.987 442 T CB 0.470 69.300 68.868 -0.063 0.000 0.920 442 T HN 0.508 nan 8.240 nan 0.000 0.470 443 L N 3.771 124.965 121.223 -0.047 0.000 2.312 443 L HA 0.453 5.938 4.340 1.907 0.000 0.281 443 L C 0.780 177.597 176.870 -0.088 0.000 1.070 443 L CA -0.518 54.268 54.840 -0.089 0.000 0.805 443 L CB 1.028 43.028 42.059 -0.099 0.000 1.174 443 L HN 0.588 nan 8.230 nan 0.000 0.434 444 E N 1.466 121.603 120.200 -0.105 0.000 2.259 444 E HA 0.256 5.750 4.350 1.907 0.000 0.257 444 E C -0.359 176.177 176.600 -0.107 0.000 0.998 444 E CA -0.723 55.605 56.400 -0.120 0.000 0.866 444 E CB 1.044 30.668 29.700 -0.126 0.000 1.220 444 E HN 0.494 nan 8.360 nan 0.000 0.415 445 E N -0.404 119.730 120.200 -0.111 0.000 2.722 445 E HA -0.292 5.202 4.350 1.907 0.000 0.265 445 E C 0.457 176.989 176.600 -0.115 0.000 1.081 445 E CA 0.261 56.605 56.400 -0.093 0.000 0.781 445 E CB -1.691 27.969 29.700 -0.067 0.000 1.372 445 E HN 0.977 nan 8.360 nan 0.000 0.423 446 G N 0.085 108.787 108.800 -0.163 0.000 2.166 446 G HA2 -0.428 4.676 3.960 1.907 0.000 0.260 446 G HA3 -0.428 4.676 3.960 1.907 0.000 0.260 446 G C 0.736 175.581 174.900 -0.092 0.000 0.986 446 G CA 0.959 45.961 45.100 -0.163 0.000 0.683 446 G HN 0.403 nan 8.290 nan 0.000 0.527 447 K N 0.189 120.546 120.400 -0.073 0.000 2.442 447 K HA 0.057 5.522 4.320 1.907 0.000 0.198 447 K C 2.642 179.214 176.600 -0.047 0.000 1.044 447 K CA 0.725 56.981 56.287 -0.051 0.000 0.948 447 K CB -0.274 32.198 32.500 -0.047 0.000 0.762 447 K HN 0.408 nan 8.250 nan 0.000 0.472 448 G N 1.722 110.503 108.800 -0.031 0.000 2.479 448 G HA2 -0.251 4.853 3.960 1.907 0.000 0.220 448 G HA3 -0.251 4.853 3.960 1.907 0.000 0.220 448 G C 0.898 175.804 174.900 0.010 0.000 1.115 448 G CA 0.821 45.920 45.100 -0.001 0.000 0.757 448 G HN 0.221 nan 8.290 nan 0.000 0.560 449 D N 0.309 120.706 120.400 -0.006 0.000 2.264 449 D HA -0.021 5.764 4.640 1.907 0.000 0.208 449 D C 2.421 178.716 176.300 -0.008 0.000 0.966 449 D CA 0.269 54.265 54.000 -0.007 0.000 0.864 449 D CB -0.068 40.715 40.800 -0.028 0.000 0.933 449 D HN 0.324 nan 8.370 nan 0.000 0.499 450 L N 0.169 121.383 121.223 -0.015 0.000 2.465 450 L HA -0.009 5.476 4.340 1.907 0.000 0.224 450 L C 0.380 177.242 176.870 -0.012 0.000 1.145 450 L CA 0.299 55.131 54.840 -0.013 0.000 0.834 450 L CB -0.377 41.674 42.059 -0.013 0.000 0.944 450 L HN -0.016 nan 8.230 nan 0.000 0.451 451 E N 0.469 120.663 120.200 -0.010 0.000 2.360 451 E HA -0.254 5.240 4.350 1.907 0.000 0.238 451 E C 0.636 177.224 176.600 -0.021 0.000 1.186 451 E CA 0.670 57.067 56.400 -0.004 0.000 0.719 451 E CB -0.741 28.965 29.700 0.011 0.000 1.236 451 E HN 0.696 nan 8.360 nan 0.000 0.386 452 E N -0.824 119.356 120.200 -0.034 0.000 2.476 452 E HA -0.011 5.483 4.350 1.907 0.000 0.196 452 E C 0.399 176.875 176.600 -0.207 0.000 1.029 452 E CA 0.080 56.416 56.400 -0.107 0.000 0.896 452 E CB 0.272 29.893 29.700 -0.131 0.000 1.012 452 E HN 0.442 nan 8.360 nan 0.000 0.475 453 Y N 0.840 121.041 120.300 -0.165 0.000 2.721 453 Y HA 0.315 6.009 4.550 1.907 0.000 0.251 453 Y C 0.904 176.780 175.900 -0.040 0.000 1.136 453 Y CA 0.168 58.170 58.100 -0.164 0.000 1.142 453 Y CB 1.352 39.591 38.460 -0.367 0.000 1.212 453 Y HN 0.253 nan 8.280 nan 0.000 0.565 454 G N 0.896 109.772 108.800 0.127 0.000 2.698 454 G HA2 -0.315 4.790 3.960 1.907 0.000 0.233 454 G HA3 -0.315 4.790 3.960 1.907 0.000 0.233 454 G C -0.446 174.622 174.900 0.279 0.000 1.352 454 G CA -0.548 44.653 45.100 0.167 0.000 0.879 454 G HN 0.290 nan 8.290 nan 0.000 0.567 455 Q N -0.187 119.746 119.800 0.223 0.000 2.327 455 Q HA 0.406 5.890 4.340 1.907 0.000 0.254 455 Q C 0.192 176.283 176.000 0.152 0.000 0.952 455 Q CA -0.257 55.661 55.803 0.191 0.000 0.884 455 Q CB 0.674 29.489 28.738 0.128 0.000 1.224 455 Q HN 0.619 nan 8.270 nan 0.000 0.422 456 D N 3.010 123.447 120.400 0.062 0.000 2.520 456 D HA -0.086 5.699 4.640 1.907 0.000 0.243 456 D C 0.428 176.689 176.300 -0.064 0.000 1.160 456 D CA 0.546 54.437 54.000 -0.181 0.000 0.877 456 D CB 0.689 41.451 40.800 -0.065 0.000 1.150 456 D HN 0.600 nan 8.370 nan 0.000 0.494 457 L N 3.470 124.636 121.223 -0.095 0.000 2.478 457 L HA 0.048 5.533 4.340 1.907 0.000 0.223 457 L C 0.877 177.740 176.870 -0.011 0.000 1.140 457 L CA 0.088 54.937 54.840 0.015 0.000 0.842 457 L CB -0.355 41.775 42.059 0.118 0.000 0.953 457 L HN 0.277 nan 8.230 nan 0.000 0.452 458 L N -0.254 120.955 121.223 -0.023 0.000 2.380 458 L HA 0.188 5.672 4.340 1.907 0.000 0.273 458 L C -0.309 176.618 176.870 0.094 0.000 1.138 458 L CA -0.071 54.775 54.840 0.010 0.000 0.832 458 L CB 0.368 42.428 42.059 0.001 0.000 1.124 458 L HN 0.058 nan 8.230 nan 0.000 0.454 459 H N 0.454 119.532 119.070 0.013 0.000 2.622 459 H HA 0.307 6.007 4.556 1.908 0.000 0.363 459 H C -0.573 174.797 175.328 0.070 0.000 1.151 459 H CA -0.374 55.702 56.048 0.046 0.000 1.184 459 H CB 1.760 31.564 29.762 0.069 0.000 1.643 459 H HN 0.505 nan 8.280 nan 0.000 0.531 460 T N 3.596 118.087 114.554 -0.105 0.000 2.799 460 T HA 0.159 5.653 4.350 1.907 0.000 0.296 460 T C 1.209 175.972 174.700 0.105 0.000 0.947 460 T CA 0.289 62.392 62.100 0.006 0.000 1.141 460 T CB 0.140 68.974 68.868 -0.058 0.000 0.891 460 T HN 0.540 nan 8.240 nan 0.000 0.533 461 V N 1.208 121.216 119.914 0.157 0.000 3.604 461 V HA 0.566 5.830 4.120 1.907 0.000 0.277 461 V C -0.049 176.170 176.094 0.208 0.000 1.399 461 V CA -0.189 62.218 62.300 0.178 0.000 1.034 461 V CB -0.376 31.572 31.823 0.208 0.000 0.824 461 V HN 0.667 nan 8.190 nan 0.000 0.439 462 F N 1.107 121.068 119.950 0.018 0.000 2.596 462 F HA 0.759 6.430 4.527 1.907 0.000 0.311 462 F C -0.854 174.946 175.800 0.001 0.000 1.116 462 F CA -0.760 57.242 58.000 0.003 0.000 0.957 462 F CB 1.894 40.891 39.000 -0.006 0.000 1.250 462 F HN -0.039 nan 8.300 nan 0.000 0.444 463 K N 4.676 124.869 120.400 -0.345 0.000 2.589 463 K HA 0.328 5.792 4.320 1.907 0.000 0.253 463 K C -0.974 175.410 176.600 -0.361 0.000 0.974 463 K CA -0.572 55.601 56.287 -0.189 0.000 0.835 463 K CB 1.058 33.502 32.500 -0.093 0.000 1.272 463 K HN 0.839 nan 8.250 nan 0.000 0.444 464 N N 3.024 121.586 118.700 -0.230 0.000 2.738 464 N HA -0.241 5.644 4.740 1.907 0.000 0.249 464 N C 0.394 175.788 175.510 -0.193 0.000 1.047 464 N CA 0.742 53.677 53.050 -0.193 0.000 0.707 464 N CB -0.840 37.551 38.487 -0.160 0.000 0.937 464 N HN 1.059 nan 8.380 nan 0.000 0.545 465 G N -1.421 107.152 108.800 -0.378 0.000 2.179 465 G HA2 -0.346 4.759 3.960 1.907 0.000 0.260 465 G HA3 -0.346 4.759 3.960 1.907 0.000 0.260 465 G C -0.202 174.436 174.900 -0.436 0.000 0.977 465 G CA 0.635 45.578 45.100 -0.263 0.000 0.641 465 G HN 0.331 nan 8.290 nan 0.000 0.533 466 K N 0.336 120.314 120.400 -0.703 0.000 2.324 466 K HA 0.639 6.103 4.320 1.907 0.000 0.253 466 K C -0.057 176.260 176.600 -0.472 0.000 0.932 466 K CA -0.877 55.168 56.287 -0.404 0.000 0.799 466 K CB 2.594 34.966 32.500 -0.213 0.000 1.154 466 K HN 0.089 nan 8.250 nan 0.000 0.425 467 V N 2.945 122.744 119.914 -0.192 0.000 2.455 467 V HA 0.048 5.313 4.120 1.907 0.000 0.273 467 V C 1.411 177.470 176.094 -0.058 0.000 1.045 467 V CA 0.264 62.536 62.300 -0.046 0.000 0.976 467 V CB 0.700 32.541 31.823 0.030 0.000 0.993 467 V HN 0.971 nan 8.190 nan 0.000 0.475 468 T N 1.086 115.624 114.554 -0.027 0.000 2.990 468 T HA 0.260 5.754 4.350 1.907 0.000 0.250 468 T C 0.378 175.079 174.700 0.001 0.000 1.041 468 T CA -0.193 61.892 62.100 -0.025 0.000 1.010 468 T CB 0.270 69.123 68.868 -0.024 0.000 1.003 468 T HN 0.419 nan 8.240 nan 0.000 0.499 469 K N 0.809 121.212 120.400 0.004 0.000 2.550 469 K HA 0.635 6.099 4.320 1.907 0.000 0.252 469 K C -1.779 174.728 176.600 -0.156 0.000 0.943 469 K CA -0.308 55.938 56.287 -0.068 0.000 0.806 469 K CB 2.263 34.786 32.500 0.040 0.000 1.289 469 K HN 0.010 nan 8.250 nan 0.000 0.435 470 S N 2.560 118.086 115.700 -0.290 0.000 2.542 470 S HA 0.627 6.241 4.470 1.907 0.000 0.293 470 S C -1.515 172.795 174.600 -0.484 0.000 1.089 470 S CA -0.559 57.494 58.200 -0.244 0.000 0.961 470 S CB 0.558 63.694 63.200 -0.107 0.000 1.062 470 S HN 0.436 nan 8.310 nan 0.000 0.483 471 Y N 1.088 121.473 120.300 0.140 0.000 2.429 471 Y HA 0.498 6.194 4.550 1.909 0.000 0.342 471 Y C 0.843 176.898 175.900 0.259 0.000 1.004 471 Y CA -0.846 57.360 58.100 0.177 0.000 1.075 471 Y CB 1.427 40.003 38.460 0.194 0.000 1.214 471 Y HN 0.684 nan 8.280 nan 0.000 0.455 472 S N 1.384 117.281 115.700 0.328 0.000 2.632 472 S HA 0.169 5.784 4.470 1.907 0.000 0.267 472 S C 0.606 175.427 174.600 0.369 0.000 1.276 472 S CA -0.540 57.853 58.200 0.321 0.000 0.998 472 S CB 0.539 63.860 63.200 0.202 0.000 0.953 472 S HN 0.682 nan 8.310 nan 0.000 0.547 473 F N 1.248 121.320 119.950 0.203 0.000 2.269 473 F HA -0.054 5.617 4.527 1.907 0.000 0.301 473 F C 1.753 177.558 175.800 0.008 0.000 1.082 473 F CA 1.639 59.673 58.000 0.058 0.000 1.360 473 F CB -0.347 38.665 39.000 0.021 0.000 1.041 473 F HN 0.645 nan 8.300 nan 0.000 0.512 474 D N 0.213 120.686 120.400 0.123 0.000 2.117 474 D HA -0.187 5.597 4.640 1.907 0.000 0.197 474 D C 2.001 178.291 176.300 -0.017 0.000 0.987 474 D CA 1.584 55.601 54.000 0.028 0.000 0.829 474 D CB -0.453 40.391 40.800 0.073 0.000 0.961 474 D HN 0.478 nan 8.370 nan 0.000 0.460 475 E N 0.474 120.706 120.200 0.053 0.000 2.106 475 E HA -0.098 5.397 4.350 1.907 0.000 0.192 475 E C 2.399 178.995 176.600 -0.007 0.000 0.984 475 E CA 0.379 56.821 56.400 0.071 0.000 0.806 475 E CB -0.043 29.776 29.700 0.199 0.000 0.750 475 E HN 0.303 nan 8.360 nan 0.000 0.458 476 I N 1.006 121.526 120.570 -0.083 0.000 2.179 476 I HA -0.291 5.024 4.170 1.907 0.000 0.242 476 I C 2.517 178.433 176.117 -0.334 0.000 1.088 476 I CA 1.238 62.403 61.300 -0.224 0.000 1.357 476 I CB -0.232 37.556 38.000 -0.353 0.000 1.051 476 I HN 0.018 nan 8.210 nan 0.000 0.409 477 R N 0.622 120.854 120.500 -0.447 0.000 2.081 477 R HA -0.209 5.276 4.340 1.907 0.000 0.235 477 R C 2.361 178.523 176.300 -0.231 0.000 1.131 477 R CA 1.427 57.291 56.100 -0.392 0.000 0.960 477 R CB -0.359 29.715 30.300 -0.376 0.000 0.856 477 R HN 0.326 nan 8.270 nan 0.000 0.436 478 K N 0.738 121.046 120.400 -0.152 0.000 2.026 478 K HA -0.158 5.306 4.320 1.907 0.000 0.208 478 K C 1.683 178.225 176.600 -0.096 0.000 1.048 478 K CA 1.616 57.845 56.287 -0.097 0.000 0.929 478 K CB -0.028 32.446 32.500 -0.044 0.000 0.713 478 K HN 0.084 nan 8.250 nan 0.000 0.439 479 N N 0.612 119.269 118.700 -0.072 0.000 2.149 479 N HA -0.163 5.721 4.740 1.907 0.000 0.188 479 N C 1.314 176.752 175.510 -0.120 0.000 1.019 479 N CA 1.513 54.523 53.050 -0.067 0.000 0.857 479 N CB -0.264 38.275 38.487 0.086 0.000 0.997 479 N HN 0.307 nan 8.380 nan 0.000 0.426 480 A N 0.552 123.288 122.820 -0.140 0.000 2.307 480 A HA 0.083 5.547 4.320 1.907 0.000 0.218 480 A C 0.740 178.228 177.584 -0.160 0.000 1.228 480 A CA -0.212 51.736 52.037 -0.149 0.000 0.857 480 A CB -0.127 18.760 19.000 -0.189 0.000 0.897 480 A HN 0.258 nan 8.150 nan 0.000 0.495 481 Q N -0.121 119.585 119.800 -0.155 0.000 2.414 481 Q HA 0.187 5.672 4.340 1.907 0.000 0.288 481 Q C -0.370 175.555 176.000 -0.126 0.000 1.086 481 Q CA 0.285 55.998 55.803 -0.149 0.000 0.943 481 Q CB 0.453 29.117 28.738 -0.123 0.000 1.282 481 Q HN 0.513 nan 8.270 nan 0.000 0.438 482 L N 2.031 123.180 121.223 -0.124 0.000 2.436 482 L HA -0.012 5.472 4.340 1.907 0.000 0.265 482 L C 1.438 178.263 176.870 -0.075 0.000 1.168 482 L CA -0.613 54.170 54.840 -0.095 0.000 0.815 482 L CB 0.296 42.297 42.059 -0.096 0.000 1.109 482 L HN 0.703 nan 8.230 nan 0.000 0.462 483 N N 1.540 120.206 118.700 -0.058 0.000 2.049 483 N HA -0.222 5.662 4.740 1.907 0.000 0.198 483 N C 1.012 176.494 175.510 -0.047 0.000 1.030 483 N CA 1.130 54.152 53.050 -0.047 0.000 0.870 483 N CB -0.300 38.166 38.487 -0.034 0.000 1.045 483 N HN 0.616 nan 8.380 nan 0.000 0.434 484 I N 0.000 120.542 120.570 -0.046 0.000 2.984 484 I HA 0.000 5.314 4.170 1.907 0.000 0.288 484 I CA 0.000 61.274 61.300 -0.043 0.000 1.566 484 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494