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 3dkl_1_B DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXXYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKDVYK EHFQDDVFNE KGWNYILEKY DATA SEQUENCE DGHLPIEIKA VPEGFVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGLALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTQAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLEIL GKKFPVTENS KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGM KQKMWSIENI AFGSGGGLLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGINVFKDPV ADPNKRSKKG RLSLHRTPAG NFVTLEEGKG DLEEYGQDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEIRK NAQLNI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.810 175.800 0.017 0.000 0.967 9 F CA 0.000 58.027 58.000 0.045 0.000 1.383 9 F CB 0.000 39.083 39.000 0.139 0.000 1.145 10 N N 6.537 124.711 118.700 -0.877 0.000 2.549 10 N HA 0.272 5.010 4.740 -0.005 0.000 0.281 10 N C 0.250 175.270 175.510 -0.817 0.000 1.084 10 N CA -0.487 52.196 53.050 -0.612 0.000 0.862 10 N CB 1.218 39.491 38.487 -0.356 0.000 1.333 10 N HN 0.890 nan 8.380 nan 0.000 0.523 11 I N 2.445 122.701 120.570 -0.523 0.000 2.530 11 I HA -0.226 3.941 4.170 -0.005 0.000 0.257 11 I C 0.803 176.935 176.117 0.026 0.000 1.179 11 I CA 0.960 62.170 61.300 -0.151 0.000 1.440 11 I CB 0.311 38.440 38.000 0.214 0.000 1.087 11 I HN 0.499 nan 8.210 nan 0.000 0.440 12 L N 0.009 121.096 121.223 -0.227 0.000 2.362 12 L HA -0.093 4.244 4.340 -0.005 0.000 0.219 12 L C 1.645 178.679 176.870 0.274 0.000 1.134 12 L CA 1.407 56.181 54.840 -0.109 0.000 0.807 12 L CB -0.386 41.350 42.059 -0.539 0.000 0.927 12 L HN 0.234 nan 8.230 nan 0.000 0.447 13 L N -1.171 120.036 121.223 -0.027 0.000 2.910 13 L HA 0.343 4.681 4.340 -0.005 0.000 0.252 13 L C 0.872 177.690 176.870 -0.088 0.000 1.195 13 L CA -0.138 54.659 54.840 -0.071 0.000 1.003 13 L CB 0.130 42.015 42.059 -0.290 0.000 1.328 13 L HN 0.087 nan 8.230 nan 0.000 0.540 14 A N -0.382 122.420 122.820 -0.031 0.000 3.041 14 A HA 0.511 4.828 4.320 -0.005 0.000 0.307 14 A C 0.146 177.740 177.584 0.018 0.000 1.116 14 A CA -0.061 51.955 52.037 -0.034 0.000 1.001 14 A CB 0.230 19.192 19.000 -0.063 0.000 1.112 14 A HN 0.133 nan 8.150 nan 0.000 0.556 15 T N -0.877 113.637 114.554 -0.067 0.000 2.865 15 T HA 0.368 4.715 4.350 -0.005 0.000 0.294 15 T C -1.423 173.198 174.700 -0.131 0.000 1.119 15 T CA -0.577 61.387 62.100 -0.227 0.000 1.007 15 T CB 1.119 69.511 68.868 -0.792 0.000 1.225 15 T HN 0.276 nan 8.240 nan 0.000 0.515 16 D N 1.960 122.314 120.400 -0.077 0.000 2.424 16 D HA 0.155 4.792 4.640 -0.005 0.000 0.244 16 D C 1.218 177.563 176.300 0.076 0.000 1.134 16 D CA 0.190 54.228 54.000 0.062 0.000 0.881 16 D CB 1.484 42.439 40.800 0.258 0.000 1.191 16 D HN 0.524 nan 8.370 nan 0.000 0.445 17 S N 1.978 117.760 115.700 0.136 0.000 2.372 17 S HA -0.282 4.185 4.470 -0.005 0.000 0.227 17 S C 1.905 176.694 174.600 0.316 0.000 1.044 17 S CA 1.485 59.825 58.200 0.233 0.000 1.050 17 S CB -0.647 62.690 63.200 0.228 0.000 0.901 17 S HN 0.744 nan 8.310 nan 0.000 0.447 18 Y N 1.491 121.804 120.300 0.022 0.000 2.298 18 Y HA -0.093 4.456 4.550 -0.001 0.000 0.287 18 Y C 1.877 177.454 175.900 -0.538 0.000 1.164 18 Y CA 1.100 59.157 58.100 -0.072 0.000 1.229 18 Y CB -0.427 38.048 38.460 0.024 0.000 0.977 18 Y HN 0.105 nan 8.280 nan 0.000 0.538 19 K N 0.679 120.665 120.400 -0.690 0.000 2.288 19 K HA -0.031 4.287 4.320 -0.005 0.000 0.201 19 K C 1.850 178.152 176.600 -0.496 0.000 1.048 19 K CA 0.986 56.644 56.287 -1.047 0.000 0.956 19 K CB -0.020 32.102 32.500 -0.630 0.000 0.746 19 K HN 0.245 nan 8.250 nan 0.000 0.461 20 V N 1.381 121.082 119.914 -0.355 0.000 2.594 20 V HA -0.221 3.897 4.120 -0.005 0.000 0.253 20 V C 2.285 178.412 176.094 0.056 0.000 1.069 20 V CA 2.266 64.530 62.300 -0.061 0.000 1.082 20 V CB -0.767 30.924 31.823 -0.220 0.000 0.680 20 V HN 0.531 nan 8.190 nan 0.000 0.469 21 T N -3.894 110.577 114.554 -0.139 0.000 3.107 21 T HA 0.008 4.355 4.350 -0.005 0.000 0.249 21 T C 1.416 176.092 174.700 -0.040 0.000 1.096 21 T CA 0.450 62.468 62.100 -0.137 0.000 1.012 21 T CB -0.517 68.226 68.868 -0.208 0.000 0.977 21 T HN 0.622 nan 8.240 nan 0.000 0.527 22 H N 0.115 119.183 119.070 -0.003 0.000 2.462 22 H HA 0.020 4.573 4.556 -0.005 0.000 0.292 22 H C 1.954 177.334 175.328 0.088 0.000 1.049 22 H CA 1.348 57.360 56.048 -0.060 0.000 1.334 22 H CB -0.184 29.556 29.762 -0.037 0.000 1.404 22 H HN 0.710 nan 8.280 nan 0.000 0.544 23 Y N 1.093 121.560 120.300 0.279 0.000 2.315 23 Y HA -0.097 4.450 4.550 -0.005 0.000 0.288 23 Y C 1.526 177.587 175.900 0.268 0.000 1.154 23 Y CA 0.567 58.854 58.100 0.311 0.000 1.229 23 Y CB -0.149 38.260 38.460 -0.085 0.000 0.980 23 Y HN -0.103 nan 8.280 nan 0.000 0.540 24 K N 0.610 120.661 120.400 -0.582 0.000 2.487 24 K HA 0.032 4.349 4.320 -0.005 0.000 0.192 24 K C 1.015 177.506 176.600 -0.182 0.000 1.027 24 K CA 0.570 56.591 56.287 -0.443 0.000 1.054 24 K CB 0.128 32.278 32.500 -0.583 0.000 0.824 24 K HN 0.650 nan 8.250 nan 0.000 0.510 25 Q N -0.982 118.739 119.800 -0.131 0.000 2.322 25 Q HA 0.122 4.459 4.340 -0.005 0.000 0.250 25 Q C -0.095 175.801 176.000 -0.173 0.000 0.853 25 Q CA -0.134 55.557 55.803 -0.187 0.000 0.951 25 Q CB 0.372 28.936 28.738 -0.290 0.000 1.114 25 Q HN 0.204 nan 8.270 nan 0.000 0.523 26 Y N 2.318 122.646 120.300 0.047 0.000 2.511 26 Y HA 0.032 4.580 4.550 -0.004 0.000 0.347 26 Y C -1.739 174.141 175.900 -0.033 0.000 1.257 26 Y CA -1.693 56.432 58.100 0.042 0.000 1.469 26 Y CB -0.125 38.435 38.460 0.166 0.000 1.353 26 Y HN 0.038 nan 8.280 nan 0.000 0.617 27 P HA 0.060 nan 4.420 nan 0.000 0.269 27 P C -2.548 174.728 177.300 -0.040 0.000 1.209 27 P CA -1.008 62.102 63.100 0.016 0.000 0.776 27 P CB -0.006 31.693 31.700 -0.001 0.000 0.876 28 P HA -0.052 nan 4.420 nan 0.000 0.266 28 P C -0.104 177.127 177.300 -0.115 0.000 1.193 28 P CA 0.569 63.621 63.100 -0.080 0.000 0.770 28 P CB 0.002 31.671 31.700 -0.051 0.000 0.836 29 N N -1.225 117.383 118.700 -0.152 0.000 2.740 29 N HA -0.130 4.607 4.740 -0.005 0.000 0.248 29 N C -0.776 174.620 175.510 -0.190 0.000 1.062 29 N CA 1.031 53.989 53.050 -0.152 0.000 0.704 29 N CB -2.209 36.224 38.487 -0.090 0.000 0.968 29 N HN 0.372 nan 8.380 nan 0.000 0.547 30 T N 0.100 114.463 114.554 -0.319 0.000 2.771 30 T HA 0.358 4.705 4.350 -0.005 0.000 0.291 30 T C 1.401 175.910 174.700 -0.318 0.000 0.954 30 T CA -0.006 61.909 62.100 -0.309 0.000 1.045 30 T CB 1.246 69.912 68.868 -0.337 0.000 0.917 30 T HN 0.333 nan 8.240 nan 0.000 0.484 31 S N 1.883 117.503 115.700 -0.134 0.000 2.526 31 S HA 0.278 4.745 4.470 -0.005 0.000 0.220 31 S C 0.352 174.968 174.600 0.028 0.000 1.017 31 S CA -0.488 57.694 58.200 -0.030 0.000 0.930 31 S CB 0.110 63.296 63.200 -0.023 0.000 0.856 31 S HN 0.524 nan 8.310 nan 0.000 0.497 32 K N 1.011 121.410 120.400 -0.002 0.000 2.535 32 K HA 0.614 4.931 4.320 -0.005 0.000 0.250 32 K C -1.988 174.618 176.600 0.009 0.000 0.948 32 K CA -0.471 55.837 56.287 0.034 0.000 0.796 32 K CB 2.192 34.728 32.500 0.060 0.000 1.216 32 K HN 0.003 nan 8.250 nan 0.000 0.432 33 V N 5.237 125.180 119.914 0.048 0.000 2.448 33 V HA 0.441 4.558 4.120 -0.005 0.000 0.295 33 V C -1.378 174.836 176.094 0.199 0.000 1.025 33 V CA -0.758 61.580 62.300 0.064 0.000 0.859 33 V CB 1.236 33.027 31.823 -0.054 0.000 0.988 33 V HN 0.778 nan 8.190 nan 0.000 0.431 34 Y N 3.736 124.110 120.300 0.123 0.000 2.350 34 Y HA 0.725 5.273 4.550 -0.005 0.000 0.338 34 Y C 0.036 176.014 175.900 0.131 0.000 0.961 34 Y CA -0.026 58.171 58.100 0.161 0.000 1.100 34 Y CB 1.909 40.532 38.460 0.271 0.000 1.179 34 Y HN 0.646 nan 8.280 nan 0.000 0.454 35 S N 4.961 120.529 115.700 -0.219 0.000 2.671 35 S HA 0.640 5.108 4.470 -0.005 0.000 0.299 35 S C -1.782 172.479 174.600 -0.566 0.000 1.116 35 S CA -0.705 57.297 58.200 -0.330 0.000 0.912 35 S CB 1.761 64.722 63.200 -0.398 0.000 1.130 35 S HN 0.693 nan 8.310 nan 0.000 0.501 36 Y N -0.625 119.201 120.300 -0.790 0.000 2.597 36 Y HA 0.792 5.340 4.550 -0.004 0.000 0.340 36 Y C -1.761 173.743 175.900 -0.659 0.000 1.097 36 Y CA -1.542 56.171 58.100 -0.644 0.000 1.037 36 Y CB 0.883 39.138 38.460 -0.342 0.000 1.305 36 Y HN 0.595 nan 8.280 nan 0.000 0.463 37 F N 3.156 122.591 119.950 -0.857 0.000 2.458 37 F HA 0.622 5.146 4.527 -0.005 0.000 0.336 37 F C -0.745 174.837 175.800 -0.363 0.000 1.114 37 F CA -0.309 57.238 58.000 -0.755 0.000 0.987 37 F CB 1.269 39.523 39.000 -1.243 0.000 1.130 37 F HN 0.783 nan 8.300 nan 0.000 0.458 38 E N 3.631 123.483 120.200 -0.581 0.000 2.393 38 E HA 0.445 4.792 4.350 -0.005 0.000 0.273 38 E C -1.726 174.589 176.600 -0.476 0.000 0.918 38 E CA -1.186 55.050 56.400 -0.272 0.000 0.773 38 E CB 1.479 31.194 29.700 0.024 0.000 1.275 38 E HN 0.515 nan 8.360 nan 0.000 0.451 39 C N 2.345 121.553 119.300 -0.153 0.000 2.145 39 C HA 0.354 4.811 4.460 -0.005 0.000 0.374 39 C C 0.599 175.560 174.990 -0.050 0.000 1.035 39 C CA -0.482 58.488 59.018 -0.080 0.000 1.431 39 C CB -1.829 25.951 27.740 0.066 0.000 1.789 39 C HN 0.609 nan 8.230 nan 0.000 0.483 40 R N 1.787 122.235 120.500 -0.087 0.000 2.734 40 R HA 0.122 4.460 4.340 -0.005 0.000 0.266 40 R C 0.664 176.958 176.300 -0.010 0.000 1.044 40 R CA 0.149 56.224 56.100 -0.042 0.000 1.128 40 R CB 0.567 30.831 30.300 -0.060 0.000 1.010 40 R HN 0.721 nan 8.270 nan 0.000 0.461 55 E N 0.255 120.524 120.200 0.116 0.000 2.435 55 E HA -0.012 4.335 4.350 -0.005 0.000 0.195 55 E C 0.087 176.738 176.600 0.086 0.000 1.029 55 E CA 0.508 56.962 56.400 0.090 0.000 0.865 55 E CB 0.566 30.299 29.700 0.055 0.000 0.833 55 E HN 0.712 nan 8.360 nan 0.000 0.510 56 E N 1.196 121.454 120.200 0.098 0.000 2.314 56 E HA 0.364 4.711 4.350 -0.005 0.000 0.272 56 E C -0.868 175.792 176.600 0.101 0.000 0.884 56 E CA -1.006 55.437 56.400 0.071 0.000 0.753 56 E CB 1.820 31.547 29.700 0.045 0.000 1.213 56 E HN -0.020 nan 8.360 nan 0.000 0.432 57 T N -0.937 113.670 114.554 0.089 0.000 2.863 57 T HA 0.465 4.812 4.350 -0.005 0.000 0.285 57 T C -0.173 174.604 174.700 0.129 0.000 1.009 57 T CA -0.810 61.368 62.100 0.129 0.000 0.989 57 T CB 1.383 70.352 68.868 0.168 0.000 1.004 57 T HN 0.293 nan 8.240 nan 0.000 0.455 58 V N 3.871 123.861 119.914 0.126 0.000 2.455 58 V HA 0.301 4.418 4.120 -0.005 0.000 0.273 58 V C -0.088 176.131 176.094 0.209 0.000 1.045 58 V CA -0.698 61.674 62.300 0.120 0.000 0.976 58 V CB -0.092 31.755 31.823 0.040 0.000 0.993 58 V HN 0.861 nan 8.190 nan 0.000 0.475 59 F N 7.794 127.807 119.950 0.105 0.000 2.438 59 F HA 0.530 5.054 4.527 -0.005 0.000 0.360 59 F C -0.625 175.261 175.800 0.144 0.000 1.118 59 F CA -0.594 57.480 58.000 0.124 0.000 1.164 59 F CB 0.106 39.174 39.000 0.113 0.000 1.131 59 F HN 0.524 nan 8.300 nan 0.000 0.527 60 Y N 4.437 124.369 120.300 -0.615 0.000 2.482 60 Y HA 0.541 5.088 4.550 -0.005 0.000 0.334 60 Y C 0.072 175.675 175.900 -0.496 0.000 1.091 60 Y CA -0.786 57.007 58.100 -0.512 0.000 1.027 60 Y CB 1.990 40.271 38.460 -0.299 0.000 1.306 60 Y HN 0.714 nan 8.280 nan 0.000 0.446 61 G N 3.572 111.682 108.800 -1.149 0.000 2.255 61 G HA2 -0.255 3.703 3.960 -0.005 0.000 0.196 61 G HA3 -0.255 3.703 3.960 -0.005 0.000 0.196 61 G C 0.459 175.097 174.900 -0.437 0.000 0.998 61 G CA 0.140 44.681 45.100 -0.933 0.000 0.656 61 G HN 0.948 nan 8.290 nan 0.000 0.490 62 L N 1.410 122.345 121.223 -0.479 0.000 2.046 62 L HA 0.113 4.451 4.340 -0.005 0.000 0.208 62 L C 2.644 179.398 176.870 -0.193 0.000 1.077 62 L CA 3.301 57.940 54.840 -0.336 0.000 0.747 62 L CB -0.561 41.302 42.059 -0.327 0.000 0.896 62 L HN 0.521 nan 8.230 nan 0.000 0.432 63 Q N -1.808 117.935 119.800 -0.096 0.000 2.096 63 Q HA -0.313 4.025 4.340 -0.005 0.000 0.204 63 Q C 2.261 178.137 176.000 -0.208 0.000 0.982 63 Q CA 2.153 57.902 55.803 -0.091 0.000 0.850 63 Q CB -0.532 28.196 28.738 -0.017 0.000 0.901 63 Q HN 0.656 nan 8.270 nan 0.000 0.422 64 Y N 0.958 121.032 120.300 -0.378 0.000 2.069 64 Y HA -0.315 4.232 4.550 -0.005 0.000 0.278 64 Y C 1.779 177.372 175.900 -0.512 0.000 1.175 64 Y CA 2.268 60.017 58.100 -0.584 0.000 1.134 64 Y CB -0.416 37.755 38.460 -0.482 0.000 0.965 64 Y HN 0.161 nan 8.280 nan 0.000 0.498 65 I N -0.248 120.109 120.570 -0.355 0.000 2.127 65 I HA -0.375 3.792 4.170 -0.005 0.000 0.241 65 I C 2.491 178.447 176.117 -0.269 0.000 1.075 65 I CA 1.625 62.758 61.300 -0.280 0.000 1.334 65 I CB -0.647 37.278 38.000 -0.126 0.000 1.040 65 I HN 0.279 nan 8.210 nan 0.000 0.405 66 L N 0.406 121.493 121.223 -0.227 0.000 1.990 66 L HA -0.285 4.052 4.340 -0.005 0.000 0.213 66 L C 2.413 179.229 176.870 -0.091 0.000 1.072 66 L CA 1.646 56.401 54.840 -0.141 0.000 0.755 66 L CB -0.886 41.148 42.059 -0.041 0.000 0.889 66 L HN 0.397 nan 8.230 nan 0.000 0.432 67 N N -0.098 118.511 118.700 -0.153 0.000 2.135 67 N HA -0.176 4.561 4.740 -0.005 0.000 0.186 67 N C 1.878 177.267 175.510 -0.202 0.000 1.027 67 N CA 1.166 54.158 53.050 -0.096 0.000 0.849 67 N CB -0.047 38.465 38.487 0.042 0.000 1.002 67 N HN 0.319 nan 8.380 nan 0.000 0.425 68 K N -0.247 119.825 120.400 -0.545 0.000 2.103 68 K HA -0.070 4.247 4.320 -0.005 0.000 0.204 68 K C 1.073 177.174 176.600 -0.832 0.000 1.052 68 K CA 1.137 56.919 56.287 -0.842 0.000 0.945 68 K CB 0.147 31.652 32.500 -1.658 0.000 0.722 68 K HN 0.238 nan 8.250 nan 0.000 0.443 69 Y N -1.324 118.738 120.300 -0.396 0.000 2.589 69 Y HA 0.163 4.711 4.550 -0.004 0.000 0.271 69 Y C 1.570 177.412 175.900 -0.097 0.000 1.107 69 Y CA -0.307 57.571 58.100 -0.369 0.000 1.273 69 Y CB 0.696 38.866 38.460 -0.482 0.000 1.266 69 Y HN -0.120 nan 8.280 nan 0.000 0.504 70 L N 0.365 121.613 121.223 0.042 0.000 2.537 70 L HA 0.126 4.464 4.340 -0.005 0.000 0.224 70 L C 0.567 177.583 176.870 0.243 0.000 1.065 70 L CA 0.041 54.919 54.840 0.063 0.000 0.860 70 L CB 0.187 42.099 42.059 -0.246 0.000 1.086 70 L HN -0.018 nan 8.230 nan 0.000 0.482 71 K N 0.784 121.320 120.400 0.228 0.000 2.154 71 K HA 0.566 4.883 4.320 -0.005 0.000 0.264 71 K C 0.484 177.082 176.600 -0.004 0.000 1.008 71 K CA 0.240 56.662 56.287 0.226 0.000 0.937 71 K CB 1.190 33.775 32.500 0.142 0.000 1.002 71 K HN 0.030 nan 8.250 nan 0.000 0.469 72 G N 1.220 109.912 108.800 -0.180 0.000 2.584 72 G HA2 -0.308 3.649 3.960 -0.005 0.000 0.229 72 G HA3 -0.308 3.649 3.960 -0.005 0.000 0.229 72 G C -1.132 173.308 174.900 -0.765 0.000 1.320 72 G CA 0.068 44.897 45.100 -0.452 0.000 0.891 72 G HN 0.890 nan 8.290 nan 0.000 0.573 73 K N 0.261 120.379 120.400 -0.470 0.000 2.250 73 K HA 0.500 4.817 4.320 -0.005 0.000 0.285 73 K C 1.317 177.885 176.600 -0.053 0.000 1.097 73 K CA 0.150 56.305 56.287 -0.221 0.000 0.913 73 K CB 0.509 33.019 32.500 0.017 0.000 1.179 73 K HN 1.310 nan 8.250 nan 0.000 0.462 74 V N 1.380 121.296 119.914 0.005 0.000 3.578 74 V HA 0.237 4.355 4.120 -0.005 0.000 0.290 74 V C -0.092 176.048 176.094 0.076 0.000 1.376 74 V CA -0.350 61.998 62.300 0.080 0.000 1.083 74 V CB 0.548 32.458 31.823 0.144 0.000 0.911 74 V HN 0.266 nan 8.190 nan 0.000 0.433 75 V N 1.897 121.868 119.914 0.095 0.000 2.531 75 V HA 0.753 4.871 4.120 -0.005 0.000 0.301 75 V C 0.084 176.225 176.094 0.080 0.000 1.034 75 V CA 0.413 62.766 62.300 0.088 0.000 0.865 75 V CB 1.511 33.475 31.823 0.235 0.000 0.995 75 V HN 0.620 nan 8.190 nan 0.000 0.424 76 T N 0.420 114.997 114.554 0.039 0.000 2.901 76 T HA 0.483 4.830 4.350 -0.005 0.000 0.293 76 T C 0.669 175.389 174.700 0.034 0.000 1.084 76 T CA -0.625 61.498 62.100 0.039 0.000 1.008 76 T CB 2.206 71.086 68.868 0.020 0.000 1.170 76 T HN 0.486 nan 8.240 nan 0.000 0.509 77 K N 0.542 120.964 120.400 0.037 0.000 2.160 77 K HA -0.161 4.157 4.320 -0.005 0.000 0.206 77 K C 1.675 178.284 176.600 0.016 0.000 1.047 77 K CA 2.027 58.336 56.287 0.036 0.000 0.930 77 K CB -0.334 32.185 32.500 0.032 0.000 0.720 77 K HN 0.687 nan 8.250 nan 0.000 0.450 78 E N 0.301 120.500 120.200 -0.001 0.000 2.076 78 E HA -0.044 4.304 4.350 -0.005 0.000 0.190 78 E C 1.704 178.272 176.600 -0.052 0.000 0.979 78 E CA 1.182 57.569 56.400 -0.021 0.000 0.807 78 E CB 0.055 29.742 29.700 -0.021 0.000 0.761 78 E HN 0.289 nan 8.360 nan 0.000 0.454 79 K N 0.355 120.716 120.400 -0.064 0.000 2.147 79 K HA -0.077 4.241 4.320 -0.005 0.000 0.205 79 K C 2.023 178.538 176.600 -0.142 0.000 1.049 79 K CA 1.037 57.249 56.287 -0.124 0.000 0.936 79 K CB -0.136 32.281 32.500 -0.139 0.000 0.722 79 K HN 0.155 nan 8.250 nan 0.000 0.446 80 I N 0.683 121.219 120.570 -0.056 0.000 2.202 80 I HA -0.262 3.905 4.170 -0.005 0.000 0.242 80 I C 2.650 178.779 176.117 0.019 0.000 1.091 80 I CA 1.067 62.390 61.300 0.037 0.000 1.368 80 I CB -0.208 37.881 38.000 0.147 0.000 1.058 80 I HN 0.147 nan 8.210 nan 0.000 0.410 81 Q N 1.337 121.136 119.800 -0.000 0.000 2.079 81 Q HA -0.240 4.097 4.340 -0.005 0.000 0.200 81 Q C 2.015 177.962 176.000 -0.089 0.000 0.974 81 Q CA 1.795 57.591 55.803 -0.012 0.000 0.840 81 Q CB -0.222 28.514 28.738 -0.004 0.000 0.898 81 Q HN 0.420 nan 8.270 nan 0.000 0.430 82 E N -0.709 119.413 120.200 -0.129 0.000 2.033 82 E HA -0.277 4.071 4.350 -0.005 0.000 0.199 82 E C 1.780 178.195 176.600 -0.308 0.000 1.011 82 E CA 1.389 57.676 56.400 -0.189 0.000 0.815 82 E CB -0.320 29.269 29.700 -0.185 0.000 0.755 82 E HN 0.446 nan 8.360 nan 0.000 0.451 83 A N 1.402 123.973 122.820 -0.415 0.000 1.917 83 A HA -0.269 4.048 4.320 -0.005 0.000 0.219 83 A C 2.130 179.277 177.584 -0.728 0.000 1.182 83 A CA 2.056 53.671 52.037 -0.702 0.000 0.633 83 A CB -0.617 17.922 19.000 -0.768 0.000 0.819 83 A HN 0.278 nan 8.150 nan 0.000 0.448 84 K N -0.659 119.438 120.400 -0.505 0.000 2.032 84 K HA -0.231 4.087 4.320 -0.005 0.000 0.209 84 K C 1.331 177.904 176.600 -0.045 0.000 1.048 84 K CA 1.921 58.127 56.287 -0.133 0.000 0.927 84 K CB -0.216 32.364 32.500 0.133 0.000 0.712 84 K HN 0.430 nan 8.250 nan 0.000 0.441 85 D N -0.022 120.318 120.400 -0.099 0.000 2.149 85 D HA -0.106 4.531 4.640 -0.005 0.000 0.201 85 D C 1.994 178.236 176.300 -0.096 0.000 0.972 85 D CA 0.784 54.746 54.000 -0.062 0.000 0.835 85 D CB -0.159 40.598 40.800 -0.072 0.000 0.966 85 D HN 0.033 nan 8.370 nan 0.000 0.476 86 V N 0.596 120.370 119.914 -0.233 0.000 2.237 86 V HA -0.266 3.851 4.120 -0.005 0.000 0.245 86 V C 2.108 178.106 176.094 -0.160 0.000 1.046 86 V CA 1.506 63.629 62.300 -0.294 0.000 1.007 86 V CB -0.808 30.703 31.823 -0.521 0.000 0.638 86 V HN 0.248 nan 8.190 nan 0.000 0.445 87 Y N 0.166 120.475 120.300 0.014 0.000 2.274 87 Y HA -0.268 4.279 4.550 -0.006 0.000 0.290 87 Y C 2.562 178.639 175.900 0.296 0.000 1.145 87 Y CA 1.467 59.711 58.100 0.241 0.000 1.203 87 Y CB -0.287 38.355 38.460 0.304 0.000 0.984 87 Y HN 0.160 nan 8.280 nan 0.000 0.533 88 K N 0.985 121.566 120.400 0.301 0.000 2.063 88 K HA -0.190 4.127 4.320 -0.005 0.000 0.208 88 K C 1.527 178.244 176.600 0.193 0.000 1.048 88 K CA 1.827 58.254 56.287 0.233 0.000 0.928 88 K CB -0.206 32.381 32.500 0.145 0.000 0.713 88 K HN 0.241 nan 8.250 nan 0.000 0.442 89 E N -1.143 119.141 120.200 0.140 0.000 2.122 89 E HA -0.125 4.222 4.350 -0.005 0.000 0.190 89 E C 2.052 178.721 176.600 0.115 0.000 0.977 89 E CA 0.844 57.302 56.400 0.096 0.000 0.820 89 E CB -0.398 29.326 29.700 0.041 0.000 0.770 89 E HN 0.509 nan 8.360 nan 0.000 0.462 90 H N -0.216 118.859 119.070 0.008 0.000 2.389 90 H HA -0.019 4.533 4.556 -0.005 0.000 0.299 90 H C 1.314 176.520 175.328 -0.203 0.000 1.081 90 H CA 1.315 57.290 56.048 -0.122 0.000 1.345 90 H CB -0.173 29.490 29.762 -0.165 0.000 1.393 90 H HN 0.030 nan 8.280 nan 0.000 0.520 91 F N 0.145 120.140 119.950 0.075 0.000 2.754 91 F HA 0.116 4.641 4.527 -0.004 0.000 0.297 91 F C 0.637 176.445 175.800 0.014 0.000 1.122 91 F CA 0.095 58.091 58.000 -0.005 0.000 1.400 91 F CB 0.395 39.429 39.000 0.058 0.000 1.117 91 F HN -0.011 nan 8.300 nan 0.000 0.587 92 Q N 1.827 121.739 119.800 0.187 0.000 2.452 92 Q HA -0.245 4.093 4.340 -0.005 0.000 0.318 92 Q C -1.127 174.958 176.000 0.143 0.000 1.386 92 Q CA 1.217 57.097 55.803 0.128 0.000 0.872 92 Q CB -1.506 27.276 28.738 0.073 0.000 1.151 92 Q HN 0.541 nan 8.270 nan 0.000 0.417 93 D N -0.963 119.546 120.400 0.181 0.000 2.997 93 D HA 0.098 4.736 4.640 -0.005 0.000 0.276 93 D C -1.671 174.729 176.300 0.167 0.000 1.141 93 D CA -0.493 53.596 54.000 0.148 0.000 0.727 93 D CB 0.729 41.604 40.800 0.124 0.000 1.306 93 D HN -0.044 nan 8.370 nan 0.000 0.439 94 D N 1.453 121.922 120.400 0.115 0.000 2.467 94 D HA 0.270 4.908 4.640 -0.005 0.000 0.220 94 D C 1.222 177.570 176.300 0.080 0.000 1.103 94 D CA 0.015 54.092 54.000 0.128 0.000 0.886 94 D CB 1.187 42.055 40.800 0.114 0.000 1.025 94 D HN 0.224 nan 8.370 nan 0.000 0.514 95 V N 1.363 121.315 119.914 0.064 0.000 3.359 95 V HA 0.242 4.359 4.120 -0.005 0.000 0.245 95 V C 0.945 177.132 176.094 0.155 0.000 1.247 95 V CA -0.317 61.971 62.300 -0.021 0.000 1.145 95 V CB -0.538 31.051 31.823 -0.390 0.000 0.906 95 V HN 0.247 nan 8.190 nan 0.000 0.464 96 F N 4.083 124.052 119.950 0.033 0.000 2.612 96 F HA 0.246 4.770 4.527 -0.005 0.000 0.389 96 F C 0.752 176.518 175.800 -0.056 0.000 1.055 96 F CA -0.291 57.738 58.000 0.048 0.000 1.232 96 F CB 0.048 39.171 39.000 0.205 0.000 1.044 96 F HN 0.172 nan 8.300 nan 0.000 0.560 97 N N 5.321 123.390 118.700 -1.051 0.000 2.892 97 N HA -0.063 4.674 4.740 -0.005 0.000 0.300 97 N C 1.210 175.957 175.510 -1.271 0.000 1.211 97 N CA 0.409 52.628 53.050 -1.385 0.000 1.158 97 N CB -0.395 36.855 38.487 -2.061 0.000 1.455 97 N HN 0.891 nan 8.380 nan 0.000 0.524 98 E N 1.710 121.348 120.200 -0.937 0.000 2.077 98 E HA -0.208 4.139 4.350 -0.005 0.000 0.193 98 E C 1.065 177.524 176.600 -0.236 0.000 0.989 98 E CA 1.125 57.242 56.400 -0.471 0.000 0.800 98 E CB 0.256 29.920 29.700 -0.061 0.000 0.746 98 E HN 0.454 nan 8.360 nan 0.000 0.452 99 K N -0.394 119.855 120.400 -0.252 0.000 2.026 99 K HA -0.108 4.209 4.320 -0.005 0.000 0.208 99 K C 2.196 178.718 176.600 -0.130 0.000 1.048 99 K CA 1.151 57.357 56.287 -0.135 0.000 0.929 99 K CB -0.339 32.088 32.500 -0.122 0.000 0.713 99 K HN 0.224 nan 8.250 nan 0.000 0.439 100 G N 0.242 108.824 108.800 -0.364 0.000 2.418 100 G HA2 -0.238 3.719 3.960 -0.005 0.000 0.217 100 G HA3 -0.238 3.719 3.960 -0.005 0.000 0.217 100 G C 1.114 175.964 174.900 -0.083 0.000 1.158 100 G CA 0.601 45.513 45.100 -0.314 0.000 0.771 100 G HN 0.364 nan 8.290 nan 0.000 0.545 101 W N 0.582 121.767 121.300 -0.193 0.000 2.418 101 W HA 0.060 4.716 4.660 -0.005 0.000 0.292 101 W C 2.581 179.135 176.519 0.058 0.000 1.213 101 W CA 0.676 58.013 57.345 -0.015 0.000 1.283 101 W CB -0.159 29.245 29.460 -0.093 0.000 1.119 101 W HN 0.189 nan 8.180 nan 0.000 0.542 102 N N -0.739 118.103 118.700 0.238 0.000 2.104 102 N HA -0.302 4.436 4.740 -0.005 0.000 0.190 102 N C 1.567 177.170 175.510 0.155 0.000 1.024 102 N CA 1.745 54.896 53.050 0.170 0.000 0.853 102 N CB -0.538 38.013 38.487 0.107 0.000 1.008 102 N HN 0.131 nan 8.380 nan 0.000 0.424 103 Y N 1.241 121.575 120.300 0.056 0.000 2.114 103 Y HA -0.216 4.331 4.550 -0.005 0.000 0.282 103 Y C 1.852 177.796 175.900 0.073 0.000 1.165 103 Y CA 1.601 59.726 58.100 0.041 0.000 1.148 103 Y CB -0.319 38.165 38.460 0.041 0.000 0.972 103 Y HN 0.082 nan 8.280 nan 0.000 0.504 104 I N -0.743 119.948 120.570 0.202 0.000 2.179 104 I HA -0.306 3.861 4.170 -0.005 0.000 0.242 104 I C 2.340 178.548 176.117 0.153 0.000 1.088 104 I CA 1.265 62.692 61.300 0.212 0.000 1.357 104 I CB -0.575 37.590 38.000 0.276 0.000 1.051 104 I HN 0.313 nan 8.210 nan 0.000 0.409 105 L N 1.000 122.324 121.223 0.168 0.000 1.990 105 L HA -0.262 4.076 4.340 -0.005 0.000 0.213 105 L C 2.380 179.259 176.870 0.016 0.000 1.072 105 L CA 2.030 56.942 54.840 0.120 0.000 0.755 105 L CB -0.651 41.483 42.059 0.126 0.000 0.889 105 L HN 0.219 nan 8.230 nan 0.000 0.432 106 E N -1.021 119.144 120.200 -0.059 0.000 2.072 106 E HA -0.239 4.108 4.350 -0.005 0.000 0.190 106 E C 2.110 178.547 176.600 -0.272 0.000 0.982 106 E CA 1.152 57.472 56.400 -0.132 0.000 0.803 106 E CB -0.056 29.579 29.700 -0.108 0.000 0.755 106 E HN 0.260 nan 8.360 nan 0.000 0.453 107 K N -0.008 120.080 120.400 -0.519 0.000 2.116 107 K HA -0.063 4.254 4.320 -0.005 0.000 0.203 107 K C 0.594 176.738 176.600 -0.759 0.000 1.052 107 K CA 1.233 57.026 56.287 -0.822 0.000 0.952 107 K CB 0.139 31.747 32.500 -1.486 0.000 0.729 107 K HN 0.167 nan 8.250 nan 0.000 0.446 108 Y N -0.377 119.839 120.300 -0.140 0.000 2.707 108 Y HA 0.202 4.749 4.550 -0.005 0.000 0.249 108 Y C -0.411 175.485 175.900 -0.007 0.000 1.166 108 Y CA -0.411 57.647 58.100 -0.071 0.000 1.184 108 Y CB 0.765 39.213 38.460 -0.021 0.000 1.240 108 Y HN 0.066 nan 8.280 nan 0.000 0.547 109 D N 1.161 121.620 120.400 0.099 0.000 2.708 109 D HA -0.197 4.441 4.640 -0.005 0.000 0.236 109 D C 1.246 177.726 176.300 0.300 0.000 1.146 109 D CA 1.533 55.616 54.000 0.139 0.000 0.662 109 D CB -1.133 39.713 40.800 0.076 0.000 1.059 109 D HN 0.748 nan 8.370 nan 0.000 0.428 110 G N -0.416 108.545 108.800 0.269 0.000 2.155 110 G HA2 -0.352 3.605 3.960 -0.005 0.000 0.257 110 G HA3 -0.352 3.605 3.960 -0.005 0.000 0.257 110 G C 0.117 175.176 174.900 0.264 0.000 0.983 110 G CA 0.503 45.758 45.100 0.259 0.000 0.676 110 G HN 0.700 nan 8.290 nan 0.000 0.528 111 H N -0.422 118.740 119.070 0.153 0.000 2.580 111 H HA 0.553 5.107 4.556 -0.004 0.000 0.322 111 H C 1.036 176.411 175.328 0.078 0.000 1.082 111 H CA -0.566 55.545 56.048 0.105 0.000 1.383 111 H CB 0.796 30.580 29.762 0.036 0.000 1.450 111 H HN 0.235 nan 8.280 nan 0.000 0.505 112 L N 5.918 127.261 121.223 0.200 0.000 2.433 112 L HA 0.165 4.502 4.340 -0.005 0.000 0.275 112 L C -1.745 175.137 176.870 0.021 0.000 1.128 112 L CA -1.737 53.190 54.840 0.145 0.000 0.875 112 L CB 0.349 42.553 42.059 0.241 0.000 1.171 112 L HN 0.489 nan 8.230 nan 0.000 0.463 113 P HA 0.163 nan 4.420 nan 0.000 0.241 113 P C -0.601 176.636 177.300 -0.106 0.000 1.760 113 P CA 0.314 63.241 63.100 -0.289 0.000 1.081 113 P CB 0.011 31.455 31.700 -0.425 0.000 1.975 114 I N 1.126 121.723 120.570 0.045 0.000 2.619 114 I HA 0.335 4.503 4.170 -0.005 0.000 0.292 114 I C 0.068 176.325 176.117 0.233 0.000 1.100 114 I CA -0.843 60.540 61.300 0.138 0.000 1.043 114 I CB 3.132 41.239 38.000 0.178 0.000 1.239 114 I HN 0.137 nan 8.210 nan 0.000 0.420 115 E N 6.246 126.552 120.200 0.176 0.000 2.176 115 E HA 0.627 4.974 4.350 -0.005 0.000 0.267 115 E C -1.507 175.210 176.600 0.195 0.000 0.893 115 E CA -0.522 55.995 56.400 0.195 0.000 0.761 115 E CB 1.779 31.555 29.700 0.127 0.000 1.133 115 E HN 0.451 nan 8.360 nan 0.000 0.409 116 I N 4.323 125.035 120.570 0.237 0.000 2.406 116 I HA 0.340 4.508 4.170 -0.005 0.000 0.290 116 I C -0.425 175.791 176.117 0.165 0.000 0.999 116 I CA -0.763 60.643 61.300 0.176 0.000 1.124 116 I CB 1.715 39.777 38.000 0.103 0.000 1.289 116 I HN 0.315 nan 8.210 nan 0.000 0.441 117 K N 5.253 125.742 120.400 0.149 0.000 2.221 117 K HA 0.886 5.204 4.320 -0.005 0.000 0.258 117 K C -0.937 175.747 176.600 0.140 0.000 0.944 117 K CA -0.659 55.708 56.287 0.133 0.000 0.823 117 K CB 2.511 35.069 32.500 0.098 0.000 1.113 117 K HN 0.675 nan 8.250 nan 0.000 0.431 118 A N 1.701 124.591 122.820 0.118 0.000 2.515 118 A HA 0.414 4.731 4.320 -0.005 0.000 0.298 118 A C -1.036 176.528 177.584 -0.034 0.000 1.059 118 A CA -0.734 51.336 52.037 0.056 0.000 0.698 118 A CB 1.555 20.650 19.000 0.159 0.000 1.289 118 A HN 0.480 nan 8.150 nan 0.000 0.404 119 V N 2.245 122.005 119.914 -0.258 0.000 2.872 119 V HA 0.268 4.386 4.120 -0.005 0.000 0.307 119 V C -2.097 173.865 176.094 -0.221 0.000 1.072 119 V CA -1.118 61.004 62.300 -0.297 0.000 1.148 119 V CB 0.864 32.491 31.823 -0.327 0.000 0.954 119 V HN 0.785 nan 8.190 nan 0.000 0.490 120 P HA 0.071 nan 4.420 nan 0.000 0.265 120 P C -0.525 176.523 177.300 -0.421 0.000 1.193 120 P CA 0.136 62.799 63.100 -0.727 0.000 0.765 120 P CB 0.250 31.313 31.700 -1.062 0.000 0.823 121 E N 1.649 121.569 120.200 -0.465 0.000 2.452 121 E HA 0.146 4.494 4.350 -0.005 0.000 0.261 121 E C 1.320 177.886 176.600 -0.057 0.000 0.987 121 E CA 1.091 57.437 56.400 -0.089 0.000 0.926 121 E CB -0.084 29.623 29.700 0.011 0.000 0.934 121 E HN 0.799 nan 8.360 nan 0.000 0.452 122 G N 2.970 111.810 108.800 0.068 0.000 2.268 122 G HA2 -0.293 3.665 3.960 -0.005 0.000 0.240 122 G HA3 -0.293 3.665 3.960 -0.005 0.000 0.240 122 G C 0.090 175.091 174.900 0.168 0.000 1.010 122 G CA -0.307 44.813 45.100 0.033 0.000 0.618 122 G HN 0.447 nan 8.290 nan 0.000 0.516 123 F N 1.193 121.144 119.950 0.001 0.000 2.629 123 F HA 0.399 4.923 4.527 -0.005 0.000 0.377 123 F C 1.073 176.881 175.800 0.012 0.000 1.101 123 F CA -0.134 57.878 58.000 0.020 0.000 1.301 123 F CB 1.070 40.088 39.000 0.031 0.000 1.062 123 F HN 0.008 nan 8.300 nan 0.000 0.583 124 V N 6.481 126.397 119.914 0.004 0.000 2.333 124 V HA 0.308 4.425 4.120 -0.005 0.000 0.274 124 V C 0.060 176.066 176.094 -0.147 0.000 1.028 124 V CA -0.539 61.747 62.300 -0.022 0.000 0.851 124 V CB 0.774 32.578 31.823 -0.032 0.000 1.000 124 V HN 0.338 nan 8.190 nan 0.000 0.456 125 I N 6.764 127.230 120.570 -0.173 0.000 2.465 125 I HA 0.485 4.652 4.170 -0.005 0.000 0.291 125 I C -2.490 173.509 176.117 -0.197 0.000 1.014 125 I CA -2.657 58.384 61.300 -0.431 0.000 1.093 125 I CB 2.103 39.898 38.000 -0.342 0.000 1.267 125 I HN 0.335 nan 8.210 nan 0.000 0.431 126 P HA 0.120 nan 4.420 nan 0.000 0.270 126 P C -0.115 177.183 177.300 -0.003 0.000 1.223 126 P CA -0.390 62.699 63.100 -0.019 0.000 0.785 126 P CB 0.449 32.179 31.700 0.049 0.000 0.923 127 R N 1.551 122.071 120.500 0.034 0.000 2.698 127 R HA 0.203 4.540 4.340 -0.005 0.000 0.266 127 R C 1.411 177.728 176.300 0.027 0.000 1.026 127 R CA 1.186 57.309 56.100 0.039 0.000 1.102 127 R CB -1.077 29.254 30.300 0.052 0.000 0.978 127 R HN 0.925 nan 8.270 nan 0.000 0.436 128 G N 1.608 110.422 108.800 0.022 0.000 2.136 128 G HA2 -0.246 3.711 3.960 -0.005 0.000 0.242 128 G HA3 -0.246 3.711 3.960 -0.005 0.000 0.242 128 G C -0.095 174.816 174.900 0.018 0.000 0.989 128 G CA -0.115 44.999 45.100 0.022 0.000 0.682 128 G HN 0.592 nan 8.290 nan 0.000 0.522 129 N N -0.487 118.220 118.700 0.012 0.000 2.370 129 N HA 0.446 5.184 4.740 -0.005 0.000 0.303 129 N C 0.225 175.740 175.510 0.009 0.000 1.103 129 N CA -0.404 52.644 53.050 -0.003 0.000 0.848 129 N CB 2.346 40.819 38.487 -0.025 0.000 1.235 129 N HN 0.173 nan 8.380 nan 0.000 0.496 130 V N 3.017 122.921 119.914 -0.017 0.000 2.557 130 V HA -0.035 4.083 4.120 -0.005 0.000 0.301 130 V C 1.094 177.170 176.094 -0.030 0.000 1.026 130 V CA 0.831 63.133 62.300 0.004 0.000 1.137 130 V CB -0.282 31.496 31.823 -0.075 0.000 0.917 130 V HN 0.553 nan 8.190 nan 0.000 0.484 131 L N 6.892 128.105 121.223 -0.017 0.000 2.388 131 L HA 0.407 4.744 4.340 -0.005 0.000 0.209 131 L C 0.164 176.929 176.870 -0.175 0.000 1.061 131 L CA 0.283 55.019 54.840 -0.174 0.000 0.834 131 L CB 0.067 42.101 42.059 -0.042 0.000 1.029 131 L HN 0.762 nan 8.230 nan 0.000 0.473 132 F N -1.701 118.209 119.950 -0.067 0.000 2.678 132 F HA 0.630 5.154 4.527 -0.005 0.000 0.308 132 F C -0.715 175.088 175.800 0.005 0.000 1.118 132 F CA -1.060 56.909 58.000 -0.051 0.000 0.959 132 F CB 1.013 40.001 39.000 -0.021 0.000 1.305 132 F HN -0.191 nan 8.300 nan 0.000 0.443 133 T N -0.269 114.391 114.554 0.176 0.000 2.907 133 T HA 0.872 5.219 4.350 -0.005 0.000 0.292 133 T C -1.496 173.218 174.700 0.024 0.000 1.043 133 T CA -0.883 61.164 62.100 -0.088 0.000 1.003 133 T CB 1.768 70.472 68.868 -0.273 0.000 1.084 133 T HN 0.889 nan 8.240 nan 0.000 0.483 134 V N 1.991 121.831 119.914 -0.123 0.000 2.760 134 V HA 0.766 4.884 4.120 -0.005 0.000 0.309 134 V C -0.678 175.392 176.094 -0.039 0.000 1.077 134 V CA -0.855 61.472 62.300 0.045 0.000 0.910 134 V CB 1.599 33.581 31.823 0.264 0.000 1.008 134 V HN 1.205 nan 8.190 nan 0.000 0.424 135 E N 2.947 123.185 120.200 0.064 0.000 2.412 135 E HA 0.427 4.774 4.350 -0.005 0.000 0.279 135 E C -1.587 175.064 176.600 0.084 0.000 0.984 135 E CA -0.995 55.475 56.400 0.116 0.000 0.788 135 E CB 2.160 32.012 29.700 0.254 0.000 1.277 135 E HN 0.630 nan 8.360 nan 0.000 0.455 136 N N 0.745 119.474 118.700 0.048 0.000 2.530 136 N HA 0.065 4.803 4.740 -0.005 0.000 0.277 136 N C 0.379 175.899 175.510 0.017 0.000 1.168 136 N CA 0.015 53.053 53.050 -0.021 0.000 0.979 136 N CB 1.406 39.828 38.487 -0.108 0.000 1.141 136 N HN 0.664 nan 8.380 nan 0.000 0.459 137 T N -3.840 110.707 114.554 -0.012 0.000 3.044 137 T HA 0.097 4.444 4.350 -0.005 0.000 0.260 137 T C -0.208 174.507 174.700 0.024 0.000 1.019 137 T CA -0.267 61.838 62.100 0.008 0.000 0.921 137 T CB 0.016 68.871 68.868 -0.022 0.000 1.053 137 T HN 0.546 nan 8.240 nan 0.000 0.533 138 D N 1.279 121.694 120.400 0.026 0.000 2.629 138 D HA 0.363 5.000 4.640 -0.005 0.000 0.250 138 D C -2.215 174.121 176.300 0.060 0.000 1.126 138 D CA -2.335 51.728 54.000 0.104 0.000 0.852 138 D CB 2.797 43.745 40.800 0.246 0.000 1.335 138 D HN -0.204 nan 8.370 nan 0.000 0.518 139 P HA -0.111 nan 4.420 nan 0.000 0.218 139 P C 0.954 178.316 177.300 0.104 0.000 1.148 139 P CA 0.887 64.026 63.100 0.065 0.000 0.822 139 P CB 0.463 32.189 31.700 0.042 0.000 0.784 140 E N -1.186 119.030 120.200 0.026 0.000 2.265 140 E HA -0.117 4.230 4.350 -0.005 0.000 0.196 140 E C 0.770 177.366 176.600 -0.007 0.000 0.996 140 E CA 0.907 57.285 56.400 -0.036 0.000 0.832 140 E CB -0.605 28.806 29.700 -0.481 0.000 0.756 140 E HN 0.291 nan 8.360 nan 0.000 0.491 141 C N 1.546 120.742 119.300 -0.172 0.000 2.470 141 C HA 0.157 4.614 4.460 -0.005 0.000 0.311 141 C C 1.767 176.292 174.990 -0.775 0.000 1.387 141 C CA -1.086 57.512 59.018 -0.701 0.000 1.783 141 C CB -2.181 25.217 27.740 -0.570 0.000 2.416 141 C HN 0.468 nan 8.230 nan 0.000 0.558 142 Y N 0.136 120.242 120.300 -0.323 0.000 2.241 142 Y HA -0.222 4.325 4.550 -0.005 0.000 0.286 142 Y C 2.172 177.906 175.900 -0.276 0.000 1.166 142 Y CA 1.678 59.633 58.100 -0.242 0.000 1.203 142 Y CB -0.902 37.466 38.460 -0.153 0.000 0.977 142 Y HN 0.644 nan 8.280 nan 0.000 0.529 143 W N 0.250 120.952 121.300 -0.995 0.000 2.800 143 W HA 0.084 4.741 4.660 -0.005 0.000 0.249 143 W C 1.209 177.651 176.519 -0.129 0.000 1.294 143 W CA 0.265 57.309 57.345 -0.502 0.000 1.402 143 W CB -0.802 28.341 29.460 -0.528 0.000 1.126 143 W HN 0.271 nan 8.180 nan 0.000 0.652 144 L N 2.483 123.099 121.223 -1.012 0.000 2.179 144 L HA 0.009 4.346 4.340 -0.005 0.000 0.208 144 L C 2.370 179.159 176.870 -0.135 0.000 1.096 144 L CA 2.257 56.608 54.840 -0.815 0.000 0.779 144 L CB -1.009 40.308 42.059 -1.236 0.000 0.922 144 L HN -0.195 nan 8.230 nan 0.000 0.443 145 T N 0.538 115.035 114.554 -0.095 0.000 2.597 145 T HA -0.208 4.140 4.350 -0.005 0.000 0.267 145 T C 1.578 176.441 174.700 0.271 0.000 1.053 145 T CA 2.211 64.374 62.100 0.104 0.000 1.165 145 T CB -0.344 68.587 68.868 0.106 0.000 0.863 145 T HN 0.342 nan 8.240 nan 0.000 0.427 146 N N -0.127 118.760 118.700 0.313 0.000 2.446 146 N HA 0.035 4.772 4.740 -0.005 0.000 0.179 146 N C 1.230 176.922 175.510 0.303 0.000 1.054 146 N CA 0.045 53.313 53.050 0.364 0.000 0.905 146 N CB -0.268 38.478 38.487 0.432 0.000 0.973 146 N HN 0.460 nan 8.380 nan 0.000 0.448 147 W N 2.048 123.480 121.300 0.220 0.000 2.290 147 W HA -0.191 4.468 4.660 -0.002 0.000 0.311 147 W C 1.052 177.669 176.519 0.163 0.000 1.238 147 W CA 1.349 58.843 57.345 0.249 0.000 1.255 147 W CB -0.148 29.533 29.460 0.368 0.000 1.145 147 W HN 0.106 nan 8.180 nan 0.000 0.506 148 I N -1.623 119.155 120.570 0.347 0.000 3.875 148 I HA 0.117 4.284 4.170 -0.005 0.000 0.329 148 I C 1.798 177.889 176.117 -0.043 0.000 1.295 148 I CA 0.478 61.907 61.300 0.214 0.000 1.129 148 I CB -0.551 37.575 38.000 0.211 0.000 1.008 148 I HN -0.070 nan 8.210 nan 0.000 0.413 149 E N 2.268 122.339 120.200 -0.214 0.000 2.049 149 E HA -0.240 4.107 4.350 -0.005 0.000 0.198 149 E C 1.740 178.135 176.600 -0.341 0.000 1.007 149 E CA 2.734 58.710 56.400 -0.707 0.000 0.809 149 E CB -0.089 29.198 29.700 -0.689 0.000 0.749 149 E HN 0.570 nan 8.360 nan 0.000 0.450 150 T N 1.417 115.888 114.554 -0.139 0.000 2.684 150 T HA -0.197 4.150 4.350 -0.005 0.000 0.267 150 T C 1.965 176.663 174.700 -0.003 0.000 1.036 150 T CA 1.508 63.586 62.100 -0.037 0.000 1.148 150 T CB -0.363 68.491 68.868 -0.024 0.000 0.863 150 T HN 0.271 nan 8.240 nan 0.000 0.436 151 I N 0.284 120.845 120.570 -0.015 0.000 2.315 151 I HA -0.063 4.104 4.170 -0.005 0.000 0.248 151 I C 1.970 178.081 176.117 -0.011 0.000 1.117 151 I CA 1.196 62.483 61.300 -0.022 0.000 1.404 151 I CB -0.019 37.968 38.000 -0.021 0.000 1.071 151 I HN 0.196 nan 8.210 nan 0.000 0.419 152 L N -0.689 120.527 121.223 -0.011 0.000 2.179 152 L HA -0.103 4.234 4.340 -0.005 0.000 0.208 152 L C 2.355 179.333 176.870 0.180 0.000 1.096 152 L CA 0.382 55.246 54.840 0.041 0.000 0.779 152 L CB -0.363 41.779 42.059 0.139 0.000 0.922 152 L HN 0.063 nan 8.230 nan 0.000 0.443 153 V N -0.281 119.751 119.914 0.197 0.000 2.626 153 V HA -0.265 3.852 4.120 -0.005 0.000 0.252 153 V C 2.278 178.670 176.094 0.496 0.000 1.067 153 V CA 1.418 63.979 62.300 0.434 0.000 1.081 153 V CB -0.471 31.549 31.823 0.328 0.000 0.686 153 V HN 0.523 nan 8.190 nan 0.000 0.468 154 Q N 0.230 120.200 119.800 0.285 0.000 2.439 154 Q HA -0.153 4.184 4.340 -0.005 0.000 0.211 154 Q C 2.324 178.297 176.000 -0.045 0.000 0.978 154 Q CA 1.389 57.290 55.803 0.163 0.000 0.897 154 Q CB -0.263 28.508 28.738 0.055 0.000 0.956 154 Q HN 0.839 nan 8.270 nan 0.000 0.483 155 S N 0.848 116.561 115.700 0.022 0.000 2.440 155 S HA -0.181 4.286 4.470 -0.005 0.000 0.240 155 S C 1.607 176.217 174.600 0.016 0.000 1.014 155 S CA 0.876 59.024 58.200 -0.085 0.000 0.980 155 S CB -0.889 62.207 63.200 -0.172 0.000 0.775 155 S HN 0.709 nan 8.310 nan 0.000 0.499 156 W N 0.895 122.345 121.300 0.251 0.000 2.308 156 W HA -0.270 4.388 4.660 -0.003 0.000 0.301 156 W C 1.868 178.516 176.519 0.215 0.000 1.220 156 W CA 0.971 58.514 57.345 0.331 0.000 1.240 156 W CB -1.230 28.428 29.460 0.330 0.000 1.142 156 W HN 0.401 nan 8.180 nan 0.000 0.521 157 Y N 4.196 123.886 120.300 -1.017 0.000 2.109 157 Y HA -0.086 4.461 4.550 -0.004 0.000 0.285 157 Y C -0.042 175.590 175.900 -0.447 0.000 1.131 157 Y CA 2.105 59.445 58.100 -1.266 0.000 1.121 157 Y CB -1.936 35.626 38.460 -1.496 0.000 0.987 157 Y HN -0.242 nan 8.280 nan 0.000 0.495 158 P HA -0.191 nan 4.420 nan 0.000 0.216 158 P C 1.800 179.016 177.300 -0.140 0.000 1.150 158 P CA 2.012 64.899 63.100 -0.356 0.000 0.837 158 P CB -0.183 31.324 31.700 -0.322 0.000 0.786 159 I N -0.137 120.384 120.570 -0.083 0.000 2.163 159 I HA -0.235 3.933 4.170 -0.005 0.000 0.243 159 I C 2.318 178.472 176.117 0.062 0.000 1.085 159 I CA 1.969 63.303 61.300 0.057 0.000 1.347 159 I CB -1.155 36.968 38.000 0.206 0.000 1.044 159 I HN 0.009 nan 8.210 nan 0.000 0.408 160 T N 0.025 114.611 114.554 0.054 0.000 2.896 160 T HA -0.059 4.288 4.350 -0.005 0.000 0.263 160 T C 1.999 176.682 174.700 -0.030 0.000 1.050 160 T CA 0.898 63.044 62.100 0.075 0.000 1.140 160 T CB -0.124 68.915 68.868 0.285 0.000 0.877 160 T HN 0.085 nan 8.240 nan 0.000 0.457 161 V N 1.883 121.686 119.914 -0.184 0.000 2.295 161 V HA -0.166 3.951 4.120 -0.005 0.000 0.246 161 V C 2.912 178.977 176.094 -0.049 0.000 1.049 161 V CA 1.778 63.969 62.300 -0.181 0.000 1.024 161 V CB -1.190 30.397 31.823 -0.393 0.000 0.648 161 V HN 0.515 nan 8.190 nan 0.000 0.447 162 A N -0.384 122.407 122.820 -0.048 0.000 1.902 162 A HA -0.226 4.092 4.320 -0.005 0.000 0.217 162 A C 2.402 179.998 177.584 0.020 0.000 1.181 162 A CA 2.564 54.583 52.037 -0.031 0.000 0.623 162 A CB -0.968 18.000 19.000 -0.052 0.000 0.818 162 A HN 0.507 nan 8.150 nan 0.000 0.443 163 T N -0.039 114.546 114.554 0.051 0.000 2.701 163 T HA -0.143 4.205 4.350 -0.005 0.000 0.263 163 T C 1.964 176.761 174.700 0.161 0.000 1.040 163 T CA 1.698 63.859 62.100 0.102 0.000 1.147 163 T CB -0.423 68.514 68.868 0.114 0.000 0.865 163 T HN 0.672 nan 8.240 nan 0.000 0.426 164 N N 0.674 119.461 118.700 0.147 0.000 2.188 164 N HA -0.068 4.669 4.740 -0.005 0.000 0.184 164 N C 2.000 177.621 175.510 0.185 0.000 1.018 164 N CA 1.393 54.581 53.050 0.230 0.000 0.858 164 N CB -0.347 38.226 38.487 0.142 0.000 0.989 164 N HN 0.199 nan 8.380 nan 0.000 0.426 165 S N -0.066 115.732 115.700 0.163 0.000 2.368 165 S HA -0.125 4.342 4.470 -0.005 0.000 0.225 165 S C 2.007 176.781 174.600 0.289 0.000 1.030 165 S CA 1.100 59.455 58.200 0.258 0.000 0.999 165 S CB -0.350 63.054 63.200 0.340 0.000 0.844 165 S HN 0.429 nan 8.310 nan 0.000 0.459 166 R N 0.384 120.975 120.500 0.152 0.000 2.092 166 R HA -0.028 4.309 4.340 -0.005 0.000 0.231 166 R C 2.099 178.451 176.300 0.087 0.000 1.119 166 R CA 1.453 57.594 56.100 0.068 0.000 0.970 166 R CB -0.195 30.108 30.300 0.006 0.000 0.864 166 R HN 0.334 nan 8.270 nan 0.000 0.440 167 E N 0.808 121.081 120.200 0.121 0.000 2.110 167 E HA -0.222 4.125 4.350 -0.005 0.000 0.193 167 E C 1.958 178.603 176.600 0.075 0.000 0.988 167 E CA 1.331 57.780 56.400 0.082 0.000 0.804 167 E CB -0.091 29.662 29.700 0.089 0.000 0.745 167 E HN 0.542 nan 8.360 nan 0.000 0.458 168 Q N 0.257 120.131 119.800 0.122 0.000 2.167 168 Q HA -0.084 4.254 4.340 -0.005 0.000 0.202 168 Q C 2.162 178.273 176.000 0.185 0.000 0.970 168 Q CA 0.941 56.804 55.803 0.100 0.000 0.855 168 Q CB -0.046 28.724 28.738 0.053 0.000 0.911 168 Q HN 0.104 nan 8.270 nan 0.000 0.438 169 K N 1.122 121.693 120.400 0.285 0.000 2.097 169 K HA -0.154 4.164 4.320 -0.005 0.000 0.206 169 K C 1.778 178.426 176.600 0.079 0.000 1.049 169 K CA 1.050 57.466 56.287 0.215 0.000 0.933 169 K CB 0.179 32.604 32.500 -0.124 0.000 0.717 169 K HN 0.032 nan 8.250 nan 0.000 0.442 170 K N 0.435 120.865 120.400 0.049 0.000 2.026 170 K HA -0.123 4.195 4.320 -0.005 0.000 0.208 170 K C 2.112 178.747 176.600 0.058 0.000 1.048 170 K CA 1.623 57.925 56.287 0.027 0.000 0.929 170 K CB -0.187 32.319 32.500 0.011 0.000 0.713 170 K HN 0.123 nan 8.250 nan 0.000 0.439 171 I N 1.298 121.911 120.570 0.072 0.000 2.163 171 I HA -0.329 3.838 4.170 -0.005 0.000 0.243 171 I C 2.260 178.484 176.117 0.177 0.000 1.085 171 I CA 1.364 62.737 61.300 0.121 0.000 1.347 171 I CB -0.323 37.696 38.000 0.031 0.000 1.044 171 I HN 0.105 nan 8.210 nan 0.000 0.408 172 L N 0.309 121.608 121.223 0.126 0.000 2.046 172 L HA -0.219 4.118 4.340 -0.005 0.000 0.208 172 L C 2.842 179.807 176.870 0.159 0.000 1.077 172 L CA 1.401 56.336 54.840 0.158 0.000 0.747 172 L CB -0.745 41.435 42.059 0.202 0.000 0.896 172 L HN 0.267 nan 8.230 nan 0.000 0.432 173 A N 0.247 123.131 122.820 0.107 0.000 1.865 173 A HA -0.299 4.018 4.320 -0.005 0.000 0.217 173 A C 2.395 180.004 177.584 0.043 0.000 1.191 173 A CA 2.258 54.328 52.037 0.055 0.000 0.623 173 A CB -0.581 18.424 19.000 0.009 0.000 0.826 173 A HN 0.384 nan 8.150 nan 0.000 0.444 174 K N -1.845 118.581 120.400 0.043 0.000 2.032 174 K HA -0.212 4.105 4.320 -0.005 0.000 0.209 174 K C 1.815 178.339 176.600 -0.128 0.000 1.048 174 K CA 2.023 58.279 56.287 -0.053 0.000 0.927 174 K CB -0.363 32.090 32.500 -0.078 0.000 0.712 174 K HN 0.538 nan 8.250 nan 0.000 0.441 175 Y N 0.194 120.481 120.300 -0.020 0.000 2.365 175 Y HA -0.085 4.462 4.550 -0.004 0.000 0.293 175 Y C 1.999 177.859 175.900 -0.066 0.000 1.119 175 Y CA 0.530 58.606 58.100 -0.041 0.000 1.203 175 Y CB -0.065 38.386 38.460 -0.015 0.000 1.026 175 Y HN 0.079 nan 8.280 nan 0.000 0.549 176 L N -0.463 120.830 121.223 0.116 0.000 2.017 176 L HA -0.176 4.161 4.340 -0.005 0.000 0.208 176 L C 2.166 179.031 176.870 -0.008 0.000 1.073 176 L CA 1.442 56.312 54.840 0.050 0.000 0.745 176 L CB -0.955 41.150 42.059 0.076 0.000 0.894 176 L HN 0.230 nan 8.230 nan 0.000 0.432 177 L N -0.366 120.847 121.223 -0.017 0.000 2.017 177 L HA -0.221 4.116 4.340 -0.005 0.000 0.208 177 L C 2.481 179.313 176.870 -0.064 0.000 1.073 177 L CA 1.926 56.744 54.840 -0.036 0.000 0.745 177 L CB -0.643 41.392 42.059 -0.038 0.000 0.894 177 L HN 0.399 nan 8.230 nan 0.000 0.432 178 E N -1.269 118.865 120.200 -0.110 0.000 2.058 178 E HA -0.227 4.120 4.350 -0.005 0.000 0.194 178 E C 1.879 178.362 176.600 -0.194 0.000 0.997 178 E CA 1.945 58.263 56.400 -0.137 0.000 0.801 178 E CB -0.077 29.492 29.700 -0.219 0.000 0.746 178 E HN 0.709 nan 8.360 nan 0.000 0.450 179 T N -2.630 111.726 114.554 -0.330 0.000 3.081 179 T HA 0.033 4.380 4.350 -0.005 0.000 0.255 179 T C 1.602 176.161 174.700 -0.234 0.000 1.113 179 T CA 0.857 62.538 62.100 -0.698 0.000 1.082 179 T CB 0.314 68.718 68.868 -0.772 0.000 0.939 179 T HN 0.136 nan 8.240 nan 0.000 0.506 180 S N -0.794 114.857 115.700 -0.083 0.000 2.648 180 S HA 0.495 4.962 4.470 -0.005 0.000 0.270 180 S C 1.800 176.407 174.600 0.012 0.000 1.080 180 S CA 0.662 58.859 58.200 -0.004 0.000 1.159 180 S CB -0.018 63.181 63.200 -0.001 0.000 1.091 180 S HN 1.167 nan 8.310 nan 0.000 0.605 181 G N 1.896 110.696 108.800 -0.000 0.000 2.176 181 G HA2 -0.249 3.708 3.960 -0.005 0.000 0.253 181 G HA3 -0.249 3.708 3.960 -0.005 0.000 0.253 181 G C -0.156 174.744 174.900 0.000 0.000 0.979 181 G CA 0.570 45.672 45.100 0.005 0.000 0.641 181 G HN 1.239 nan 8.290 nan 0.000 0.530 182 N N -2.426 116.274 118.700 0.000 0.000 3.277 182 N HA 0.661 5.399 4.740 -0.005 0.000 0.278 182 N C -0.234 175.280 175.510 0.006 0.000 1.544 182 N CA -1.059 51.992 53.050 0.002 0.000 0.869 182 N CB 0.236 38.726 38.487 0.005 0.000 1.584 182 N HN 0.037 nan 8.380 nan 0.000 0.564 183 L N -0.047 121.181 121.223 0.007 0.000 3.168 183 L HA 0.429 4.767 4.340 -0.005 0.000 0.277 183 L C -0.889 175.997 176.870 0.026 0.000 1.245 183 L CA -0.357 54.491 54.840 0.013 0.000 1.035 183 L CB -0.996 41.060 42.059 -0.004 0.000 1.399 183 L HN 0.581 nan 8.230 nan 0.000 0.580 184 D N 0.919 121.336 120.400 0.028 0.000 2.487 184 D HA 0.372 5.009 4.640 -0.005 0.000 0.243 184 D C 1.496 177.837 176.300 0.068 0.000 1.154 184 D CA 1.368 55.391 54.000 0.039 0.000 0.876 184 D CB 0.720 41.536 40.800 0.027 0.000 1.161 184 D HN 0.371 nan 8.370 nan 0.000 0.478 185 G N 1.999 110.862 108.800 0.105 0.000 2.184 185 G HA2 -0.361 3.596 3.960 -0.005 0.000 0.264 185 G HA3 -0.361 3.596 3.960 -0.005 0.000 0.264 185 G C 1.089 176.111 174.900 0.204 0.000 0.975 185 G CA 0.493 45.703 45.100 0.182 0.000 0.642 185 G HN 0.527 nan 8.290 nan 0.000 0.536 186 L N 0.948 122.249 121.223 0.130 0.000 2.051 186 L HA -0.031 4.306 4.340 -0.005 0.000 0.214 186 L C 2.291 179.250 176.870 0.149 0.000 1.076 186 L CA 3.089 58.006 54.840 0.128 0.000 0.758 186 L CB -0.452 41.630 42.059 0.038 0.000 0.890 186 L HN 0.529 nan 8.230 nan 0.000 0.433 187 E N -1.906 118.309 120.200 0.026 0.000 2.472 187 E HA -0.178 4.169 4.350 -0.005 0.000 0.200 187 E C 0.769 177.297 176.600 -0.121 0.000 1.046 187 E CA 0.755 57.068 56.400 -0.146 0.000 0.871 187 E CB -0.067 29.443 29.700 -0.316 0.000 0.806 187 E HN 0.657 nan 8.360 nan 0.000 0.533 188 Y N -0.621 119.829 120.300 0.250 0.000 2.584 188 Y HA 0.163 4.710 4.550 -0.005 0.000 0.254 188 Y C 1.524 177.549 175.900 0.208 0.000 1.177 188 Y CA -0.265 57.974 58.100 0.230 0.000 1.216 188 Y CB 0.682 39.230 38.460 0.146 0.000 1.172 188 Y HN -0.191 nan 8.280 nan 0.000 0.529 189 K N 0.256 120.867 120.400 0.352 0.000 2.400 189 K HA 0.149 4.467 4.320 -0.005 0.000 0.194 189 K C -0.306 176.368 176.600 0.123 0.000 1.033 189 K CA 0.356 56.792 56.287 0.249 0.000 1.021 189 K CB 0.452 33.133 32.500 0.302 0.000 0.808 189 K HN 0.147 nan 8.250 nan 0.000 0.505 190 L N 0.661 121.788 121.223 -0.160 0.000 2.415 190 L HA 0.300 4.638 4.340 -0.005 0.000 0.268 190 L C -1.502 175.196 176.870 -0.286 0.000 0.984 190 L CA -0.707 53.884 54.840 -0.414 0.000 0.853 190 L CB 1.225 42.704 42.059 -0.966 0.000 1.215 190 L HN 0.011 nan 8.230 nan 0.000 0.419 191 H N 2.521 121.441 119.070 -0.249 0.000 2.467 191 H HA 0.383 4.936 4.556 -0.005 0.000 0.326 191 H C -0.820 174.363 175.328 -0.243 0.000 1.094 191 H CA -0.352 55.624 56.048 -0.120 0.000 1.253 191 H CB 1.199 30.922 29.762 -0.065 0.000 1.439 191 H HN 0.651 nan 8.280 nan 0.000 0.479 192 D N 4.575 124.883 120.400 -0.153 0.000 2.338 192 D HA -0.034 4.604 4.640 -0.005 0.000 0.255 192 D C -0.260 176.261 176.300 0.367 0.000 1.237 192 D CA 0.291 54.232 54.000 -0.098 0.000 0.883 192 D CB -0.018 40.699 40.800 -0.138 0.000 1.087 192 D HN 0.614 nan 8.370 nan 0.000 0.485 193 F N 1.504 121.478 119.950 0.040 0.000 2.654 193 F HA 0.232 4.756 4.527 -0.005 0.000 0.303 193 F C 2.021 177.865 175.800 0.074 0.000 1.099 193 F CA -0.664 57.388 58.000 0.086 0.000 1.270 193 F CB 1.212 40.249 39.000 0.061 0.000 1.024 193 F HN 0.503 nan 8.300 nan 0.000 0.548 194 G N -0.889 108.043 108.800 0.220 0.000 3.141 194 G HA2 -0.164 3.793 3.960 -0.005 0.000 0.218 194 G HA3 -0.164 3.793 3.960 -0.005 0.000 0.218 194 G C 1.062 176.082 174.900 0.200 0.000 1.170 194 G CA -0.023 45.176 45.100 0.164 0.000 0.769 194 G HN 0.256 nan 8.290 nan 0.000 0.546 195 Y N 2.773 123.112 120.300 0.064 0.000 2.128 195 Y HA -0.225 4.322 4.550 -0.005 0.000 0.284 195 Y C 2.781 178.699 175.900 0.031 0.000 1.154 195 Y CA 1.710 59.835 58.100 0.041 0.000 1.149 195 Y CB -0.137 38.342 38.460 0.031 0.000 0.976 195 Y HN 0.429 nan 8.280 nan 0.000 0.505 196 R N -0.942 119.657 120.500 0.164 0.000 2.189 196 R HA 0.053 4.390 4.340 -0.005 0.000 0.218 196 R C 1.864 178.209 176.300 0.075 0.000 1.074 196 R CA 1.304 57.435 56.100 0.050 0.000 0.991 196 R CB -0.850 29.455 30.300 0.008 0.000 0.883 196 R HN 0.322 nan 8.270 nan 0.000 0.457 197 G N 1.880 110.744 108.800 0.107 0.000 3.189 197 G HA2 0.225 4.182 3.960 -0.005 0.000 0.225 197 G HA3 0.225 4.182 3.960 -0.005 0.000 0.225 197 G C 0.475 175.427 174.900 0.087 0.000 1.159 197 G CA 0.163 45.315 45.100 0.087 0.000 0.763 197 G HN 0.201 nan 8.290 nan 0.000 0.549 198 V N -1.858 118.117 119.914 0.103 0.000 3.336 198 V HA 0.665 4.782 4.120 -0.005 0.000 0.314 198 V C 1.291 177.415 176.094 0.049 0.000 1.088 198 V CA 0.260 62.606 62.300 0.076 0.000 1.033 198 V CB 1.362 33.235 31.823 0.083 0.000 1.181 198 V HN 0.118 nan 8.190 nan 0.000 0.449 199 S N -0.520 115.186 115.700 0.010 0.000 2.524 199 S HA 0.309 4.776 4.470 -0.005 0.000 0.216 199 S C 0.681 175.285 174.600 0.008 0.000 0.987 199 S CA 0.342 58.543 58.200 0.002 0.000 0.909 199 S CB -0.647 62.540 63.200 -0.022 0.000 0.781 199 S HN 1.859 nan 8.310 nan 0.000 0.521 200 S N -0.895 114.817 115.700 0.019 0.000 2.615 200 S HA 0.382 4.850 4.470 -0.005 0.000 0.268 200 S C 0.037 174.688 174.600 0.084 0.000 1.146 200 S CA -0.830 57.394 58.200 0.039 0.000 0.818 200 S CB 0.857 64.067 63.200 0.017 0.000 1.111 200 S HN -0.095 nan 8.310 nan 0.000 0.465 201 Q N 1.171 121.035 119.800 0.108 0.000 2.061 201 Q HA -0.166 4.172 4.340 -0.005 0.000 0.204 201 Q C 1.825 177.878 176.000 0.089 0.000 0.984 201 Q CA 2.318 58.215 55.803 0.156 0.000 0.846 201 Q CB -0.617 28.204 28.738 0.138 0.000 0.902 201 Q HN 0.927 nan 8.270 nan 0.000 0.421 202 E N -0.136 120.101 120.200 0.061 0.000 2.038 202 E HA -0.163 4.184 4.350 -0.005 0.000 0.195 202 E C 1.889 178.482 176.600 -0.013 0.000 1.000 202 E CA 1.665 58.091 56.400 0.043 0.000 0.803 202 E CB 0.139 29.888 29.700 0.081 0.000 0.750 202 E HN 0.285 nan 8.360 nan 0.000 0.448 203 T N 0.802 115.335 114.554 -0.035 0.000 2.653 203 T HA -0.262 4.086 4.350 -0.005 0.000 0.268 203 T C 1.810 176.514 174.700 0.006 0.000 1.035 203 T CA 1.606 63.655 62.100 -0.085 0.000 1.154 203 T CB -0.457 68.293 68.868 -0.197 0.000 0.862 203 T HN 0.384 nan 8.240 nan 0.000 0.441 204 A N 1.383 124.203 122.820 -0.000 0.000 1.873 204 A HA 0.001 4.318 4.320 -0.005 0.000 0.218 204 A C 2.655 180.142 177.584 -0.161 0.000 1.193 204 A CA 2.190 54.180 52.037 -0.078 0.000 0.629 204 A CB -1.515 17.398 19.000 -0.145 0.000 0.826 204 A HN 0.535 nan 8.150 nan 0.000 0.447 205 G N -0.134 108.574 108.800 -0.153 0.000 2.459 205 G HA2 -0.219 3.739 3.960 -0.005 0.000 0.217 205 G HA3 -0.219 3.739 3.960 -0.005 0.000 0.217 205 G C 1.549 176.351 174.900 -0.162 0.000 1.183 205 G CA 1.206 46.209 45.100 -0.162 0.000 0.776 205 G HN 0.497 nan 8.290 nan 0.000 0.552 206 I N 1.201 121.665 120.570 -0.177 0.000 2.127 206 I HA -0.115 4.052 4.170 -0.005 0.000 0.241 206 I C 3.080 179.154 176.117 -0.072 0.000 1.075 206 I CA 1.249 62.425 61.300 -0.207 0.000 1.334 206 I CB -0.512 37.370 38.000 -0.197 0.000 1.040 206 I HN 0.258 nan 8.210 nan 0.000 0.405 207 G N 0.159 108.989 108.800 0.050 0.000 2.394 207 G HA2 -0.154 3.803 3.960 -0.005 0.000 0.215 207 G HA3 -0.154 3.803 3.960 -0.005 0.000 0.215 207 G C 1.873 176.741 174.900 -0.053 0.000 1.165 207 G CA 0.714 45.769 45.100 -0.075 0.000 0.784 207 G HN 0.481 nan 8.290 nan 0.000 0.535 208 A N 1.420 124.211 122.820 -0.049 0.000 1.908 208 A HA -0.078 4.239 4.320 -0.005 0.000 0.218 208 A C 2.751 180.311 177.584 -0.040 0.000 1.181 208 A CA 2.712 54.719 52.037 -0.049 0.000 0.627 208 A CB -0.826 18.095 19.000 -0.132 0.000 0.818 208 A HN 0.778 nan 8.150 nan 0.000 0.445 209 S N 0.194 115.851 115.700 -0.071 0.000 2.382 209 S HA 0.003 4.471 4.470 -0.005 0.000 0.228 209 S C 2.090 176.673 174.600 -0.030 0.000 1.027 209 S CA 1.459 59.609 58.200 -0.082 0.000 0.991 209 S CB -0.679 62.500 63.200 -0.036 0.000 0.823 209 S HN 0.945 nan 8.310 nan 0.000 0.469 210 A N 1.516 124.346 122.820 0.018 0.000 1.930 210 A HA -0.090 4.228 4.320 -0.005 0.000 0.217 210 A C 2.116 179.638 177.584 -0.102 0.000 1.175 210 A CA 1.846 53.823 52.037 -0.099 0.000 0.627 210 A CB -1.375 17.610 19.000 -0.024 0.000 0.815 210 A HN 0.790 nan 8.150 nan 0.000 0.443 211 H N -0.029 118.983 119.070 -0.097 0.000 2.387 211 H HA 0.053 4.606 4.556 -0.004 0.000 0.299 211 H C 1.486 176.823 175.328 0.015 0.000 1.090 211 H CA 1.653 57.683 56.048 -0.030 0.000 1.332 211 H CB -0.315 29.420 29.762 -0.044 0.000 1.386 211 H HN 0.360 nan 8.280 nan 0.000 0.516 212 L N -0.163 121.007 121.223 -0.089 0.000 2.551 212 L HA -0.065 4.272 4.340 -0.005 0.000 0.228 212 L C 2.036 178.894 176.870 -0.020 0.000 1.153 212 L CA 0.092 54.889 54.840 -0.071 0.000 0.851 212 L CB -0.042 42.009 42.059 -0.014 0.000 0.959 212 L HN 0.205 nan 8.230 nan 0.000 0.451 213 V N 0.088 119.887 119.914 -0.192 0.000 2.594 213 V HA -0.222 3.896 4.120 -0.005 0.000 0.253 213 V C 1.810 177.659 176.094 -0.410 0.000 1.069 213 V CA 1.647 63.647 62.300 -0.501 0.000 1.082 213 V CB -0.424 31.008 31.823 -0.652 0.000 0.680 213 V HN 0.605 nan 8.190 nan 0.000 0.469 214 N N -2.054 116.431 118.700 -0.358 0.000 2.460 214 N HA 0.206 4.943 4.740 -0.005 0.000 0.193 214 N C 0.160 175.201 175.510 -0.782 0.000 1.080 214 N CA 0.337 53.086 53.050 -0.502 0.000 0.869 214 N CB 0.783 39.037 38.487 -0.388 0.000 1.201 214 N HN 0.402 nan 8.380 nan 0.000 0.457 215 F N 0.130 119.815 119.950 -0.442 0.000 2.654 215 F HA 0.418 4.943 4.527 -0.004 0.000 0.334 215 F C 1.197 176.752 175.800 -0.407 0.000 1.078 215 F CA -0.744 56.987 58.000 -0.447 0.000 0.986 215 F CB 1.994 40.666 39.000 -0.548 0.000 1.362 215 F HN -0.424 nan 8.300 nan 0.000 0.498 216 K N -0.391 119.876 120.400 -0.220 0.000 2.402 216 K HA 0.293 4.610 4.320 -0.005 0.000 0.203 216 K C 0.166 176.748 176.600 -0.030 0.000 1.077 216 K CA -0.108 56.047 56.287 -0.220 0.000 1.051 216 K CB 1.151 33.378 32.500 -0.455 0.000 0.907 216 K HN 0.671 nan 8.250 nan 0.000 0.554 217 G N 0.092 108.874 108.800 -0.029 0.000 2.335 217 G HA2 0.398 4.355 3.960 -0.005 0.000 0.314 217 G HA3 0.398 4.355 3.960 -0.005 0.000 0.314 217 G C -1.048 173.534 174.900 -0.529 0.000 1.129 217 G CA -0.092 44.983 45.100 -0.042 0.000 0.912 217 G HN -0.065 nan 8.290 nan 0.000 0.443 218 T N 0.976 115.182 114.554 -0.579 0.000 3.041 218 T HA 0.353 4.700 4.350 -0.005 0.000 0.321 218 T C -0.615 174.095 174.700 0.017 0.000 1.184 218 T CA -0.518 61.385 62.100 -0.329 0.000 1.050 218 T CB 1.800 70.616 68.868 -0.086 0.000 1.159 218 T HN 0.272 nan 8.240 nan 0.000 0.469 219 D N 1.673 122.210 120.400 0.229 0.000 2.369 219 D HA 0.198 4.835 4.640 -0.005 0.000 0.211 219 D C 0.367 176.771 176.300 0.173 0.000 1.077 219 D CA 0.348 54.503 54.000 0.259 0.000 0.842 219 D CB 0.585 41.545 40.800 0.267 0.000 0.947 219 D HN 0.468 nan 8.370 nan 0.000 0.509 220 T N 0.904 115.496 114.554 0.064 0.000 3.176 220 T HA 0.101 4.448 4.350 -0.005 0.000 0.301 220 T C 1.722 176.289 174.700 -0.222 0.000 1.115 220 T CA -0.206 61.803 62.100 -0.151 0.000 1.027 220 T CB 1.067 69.778 68.868 -0.262 0.000 1.063 220 T HN -0.179 nan 8.240 nan 0.000 0.669 221 V N 2.426 122.297 119.914 -0.071 0.000 2.380 221 V HA -0.263 3.854 4.120 -0.005 0.000 0.251 221 V C 2.779 178.809 176.094 -0.107 0.000 1.063 221 V CA 2.187 64.474 62.300 -0.023 0.000 1.055 221 V CB -1.023 30.866 31.823 0.111 0.000 0.657 221 V HN 0.928 nan 8.190 nan 0.000 0.455 222 A N 0.651 123.326 122.820 -0.240 0.000 2.032 222 A HA -0.178 4.139 4.320 -0.005 0.000 0.221 222 A C 2.393 179.875 177.584 -0.171 0.000 1.165 222 A CA 1.973 53.891 52.037 -0.198 0.000 0.645 222 A CB -1.120 17.690 19.000 -0.317 0.000 0.807 222 A HN 0.572 nan 8.150 nan 0.000 0.453 223 G N -0.317 108.357 108.800 -0.209 0.000 2.448 223 G HA2 -0.116 3.841 3.960 -0.005 0.000 0.219 223 G HA3 -0.116 3.841 3.960 -0.005 0.000 0.219 223 G C 1.482 176.282 174.900 -0.167 0.000 1.127 223 G CA 0.961 45.956 45.100 -0.174 0.000 0.766 223 G HN 0.477 nan 8.290 nan 0.000 0.552 224 L N 0.467 121.602 121.223 -0.147 0.000 2.005 224 L HA -0.023 4.314 4.340 -0.005 0.000 0.207 224 L C 3.363 180.168 176.870 -0.108 0.000 1.072 224 L CA 1.187 55.939 54.840 -0.147 0.000 0.744 224 L CB -0.542 41.446 42.059 -0.119 0.000 0.895 224 L HN 0.283 nan 8.230 nan 0.000 0.433 225 A N -0.103 122.679 122.820 -0.064 0.000 1.968 225 A HA -0.153 4.164 4.320 -0.005 0.000 0.217 225 A C 2.300 179.887 177.584 0.005 0.000 1.169 225 A CA 1.179 53.197 52.037 -0.032 0.000 0.638 225 A CB -0.601 18.393 19.000 -0.010 0.000 0.812 225 A HN 0.382 nan 8.150 nan 0.000 0.446 226 L N -0.303 120.941 121.223 0.035 0.000 2.017 226 L HA -0.155 4.182 4.340 -0.005 0.000 0.208 226 L C 2.367 179.361 176.870 0.207 0.000 1.073 226 L CA 1.666 56.613 54.840 0.177 0.000 0.745 226 L CB -0.269 41.829 42.059 0.065 0.000 0.894 226 L HN 0.423 nan 8.230 nan 0.000 0.432 227 I N -0.037 120.541 120.570 0.013 0.000 2.163 227 I HA -0.369 3.798 4.170 -0.005 0.000 0.243 227 I C 2.631 178.759 176.117 0.018 0.000 1.085 227 I CA 1.752 63.019 61.300 -0.056 0.000 1.347 227 I CB -0.396 37.283 38.000 -0.534 0.000 1.044 227 I HN 0.318 nan 8.210 nan 0.000 0.408 228 K N 1.534 121.907 120.400 -0.045 0.000 2.026 228 K HA -0.264 4.053 4.320 -0.005 0.000 0.208 228 K C 2.257 178.812 176.600 -0.074 0.000 1.048 228 K CA 1.824 58.082 56.287 -0.048 0.000 0.929 228 K CB -0.079 32.384 32.500 -0.062 0.000 0.713 228 K HN 0.137 nan 8.250 nan 0.000 0.439 229 K N -0.852 119.466 120.400 -0.136 0.000 2.103 229 K HA -0.137 4.181 4.320 -0.005 0.000 0.204 229 K C 1.425 177.722 176.600 -0.504 0.000 1.052 229 K CA 1.392 57.462 56.287 -0.362 0.000 0.945 229 K CB -0.004 32.179 32.500 -0.529 0.000 0.722 229 K HN 0.236 nan 8.250 nan 0.000 0.443 230 Y N -1.927 118.336 120.300 -0.063 0.000 2.507 230 Y HA 0.105 4.653 4.550 -0.004 0.000 0.263 230 Y C 0.951 176.591 175.900 -0.434 0.000 1.093 230 Y CA 0.184 58.141 58.100 -0.239 0.000 1.285 230 Y CB 0.577 38.898 38.460 -0.231 0.000 1.115 230 Y HN 0.027 nan 8.280 nan 0.000 0.533 231 Y N -1.108 119.300 120.300 0.180 0.000 2.921 231 Y HA 0.501 5.048 4.550 -0.005 0.000 0.246 231 Y C 1.149 177.144 175.900 0.158 0.000 1.030 231 Y CA 0.188 58.419 58.100 0.219 0.000 1.338 231 Y CB 0.520 39.199 38.460 0.365 0.000 1.493 231 Y HN -0.157 nan 8.280 nan 0.000 0.452 232 G N 1.218 110.173 108.800 0.258 0.000 2.895 232 G HA2 0.091 4.049 3.960 -0.005 0.000 0.686 232 G HA3 0.091 4.049 3.960 -0.005 0.000 0.686 232 G C -0.537 174.480 174.900 0.195 0.000 1.108 232 G CA -0.360 44.833 45.100 0.154 0.000 0.761 232 G HN 0.436 nan 8.290 nan 0.000 0.611 233 T N 0.253 114.882 114.554 0.125 0.000 2.907 233 T HA 0.714 5.061 4.350 -0.005 0.000 0.292 233 T C 1.159 175.911 174.700 0.087 0.000 1.043 233 T CA -0.493 61.685 62.100 0.130 0.000 1.003 233 T CB 2.366 71.303 68.868 0.116 0.000 1.084 233 T HN 0.479 nan 8.240 nan 0.000 0.483 234 K N 0.732 121.183 120.400 0.086 0.000 2.020 234 K HA -0.066 4.252 4.320 -0.005 0.000 0.212 234 K C 0.356 176.995 176.600 0.066 0.000 1.050 234 K CA 1.418 57.746 56.287 0.067 0.000 0.929 234 K CB -0.426 32.113 32.500 0.065 0.000 0.714 234 K HN 0.717 nan 8.250 nan 0.000 0.443 235 D N 0.125 120.573 120.400 0.081 0.000 2.382 235 D HA 0.002 4.639 4.640 -0.005 0.000 0.240 235 D C -1.528 174.811 176.300 0.065 0.000 1.146 235 D CA -1.241 52.814 54.000 0.091 0.000 0.897 235 D CB 0.358 41.241 40.800 0.139 0.000 1.197 235 D HN -0.050 nan 8.370 nan 0.000 0.432 236 P HA -0.129 nan 4.420 nan 0.000 0.216 236 P C 0.176 177.474 177.300 -0.003 0.000 1.153 236 P CA 1.171 64.294 63.100 0.038 0.000 0.858 236 P CB 0.266 32.000 31.700 0.057 0.000 0.789 237 V N -6.306 113.590 119.914 -0.030 0.000 2.962 237 V HA 0.494 4.611 4.120 -0.005 0.000 0.313 237 V C -2.148 173.814 176.094 -0.220 0.000 1.099 237 V CA -2.051 60.155 62.300 -0.157 0.000 0.971 237 V CB 1.738 33.410 31.823 -0.251 0.000 1.028 237 V HN -0.201 nan 8.190 nan 0.000 0.430 238 P HA 0.273 nan 4.420 nan 0.000 0.235 238 P C 0.577 177.705 177.300 -0.288 0.000 1.177 238 P CA 0.952 63.941 63.100 -0.184 0.000 0.785 238 P CB 0.516 32.075 31.700 -0.236 0.000 0.885 239 G N -1.236 107.268 108.800 -0.493 0.000 2.660 239 G HA2 0.605 4.562 3.960 -0.005 0.000 0.294 239 G HA3 0.605 4.562 3.960 -0.005 0.000 0.294 239 G C -2.075 172.431 174.900 -0.658 0.000 1.369 239 G CA -0.460 44.367 45.100 -0.456 0.000 0.912 239 G HN -0.110 nan 8.290 nan 0.000 0.479 240 Y N -0.476 119.897 120.300 0.122 0.000 2.545 240 Y HA 0.779 5.326 4.550 -0.004 0.000 0.348 240 Y C 0.519 176.545 175.900 0.209 0.000 1.002 240 Y CA -0.742 57.460 58.100 0.169 0.000 1.039 240 Y CB 2.804 41.409 38.460 0.242 0.000 1.271 240 Y HN 0.672 nan 8.280 nan 0.000 0.467 241 S N 0.656 116.558 115.700 0.337 0.000 2.740 241 S HA 0.881 5.348 4.470 -0.005 0.000 0.300 241 S C -1.483 173.218 174.600 0.168 0.000 1.147 241 S CA -0.547 57.837 58.200 0.307 0.000 0.871 241 S CB 1.353 64.692 63.200 0.232 0.000 1.173 241 S HN 0.800 nan 8.310 nan 0.000 0.510 242 V N 0.103 120.059 119.914 0.072 0.000 3.040 242 V HA 0.809 4.926 4.120 -0.005 0.000 0.312 242 V C -2.971 173.026 176.094 -0.161 0.000 1.115 242 V CA -2.392 59.877 62.300 -0.052 0.000 0.998 242 V CB 0.587 32.362 31.823 -0.080 0.000 1.042 242 V HN 0.726 nan 8.190 nan 0.000 0.433 243 P HA 0.592 nan 4.420 nan 0.000 0.267 243 P C -0.553 176.503 177.300 -0.407 0.000 1.200 243 P CA 0.378 63.152 63.100 -0.543 0.000 0.772 243 P CB 0.736 31.671 31.700 -1.274 0.000 0.855 244 A N 1.299 123.913 122.820 -0.343 0.000 2.594 244 A HA 0.687 5.004 4.320 -0.005 0.000 0.296 244 A C -0.914 176.562 177.584 -0.179 0.000 1.061 244 A CA -0.451 51.441 52.037 -0.241 0.000 0.689 244 A CB 1.145 20.006 19.000 -0.231 0.000 1.280 244 A HN 0.550 nan 8.150 nan 0.000 0.406 245 A N 0.891 123.637 122.820 -0.123 0.000 2.287 245 A HA 0.731 5.048 4.320 -0.005 0.000 0.273 245 A C 0.212 177.721 177.584 -0.125 0.000 1.091 245 A CA 0.276 52.276 52.037 -0.061 0.000 0.817 245 A CB 0.225 19.228 19.000 0.005 0.000 1.069 245 A HN 1.109 nan 8.150 nan 0.000 0.492 246 E N -0.787 119.357 120.200 -0.093 0.000 2.393 246 E HA 0.469 4.816 4.350 -0.005 0.000 0.265 246 E C -0.188 176.330 176.600 -0.137 0.000 0.941 246 E CA -0.729 55.585 56.400 -0.144 0.000 0.801 246 E CB 0.570 30.229 29.700 -0.068 0.000 1.313 246 E HN 0.631 nan 8.360 nan 0.000 0.435 247 H N 0.099 119.173 119.070 0.007 0.000 2.387 247 H HA -0.158 4.395 4.556 -0.004 0.000 0.299 247 H C 2.265 177.621 175.328 0.047 0.000 1.090 247 H CA 2.560 58.614 56.048 0.011 0.000 1.332 247 H CB 0.080 29.826 29.762 -0.027 0.000 1.386 247 H HN 0.622 nan 8.280 nan 0.000 0.516 248 S N 0.042 115.824 115.700 0.137 0.000 2.383 248 S HA -0.218 4.249 4.470 -0.005 0.000 0.229 248 S C 2.227 176.913 174.600 0.145 0.000 1.030 248 S CA 1.686 59.955 58.200 0.114 0.000 1.002 248 S CB -0.755 62.489 63.200 0.072 0.000 0.829 248 S HN 0.640 nan 8.310 nan 0.000 0.467 249 T N -0.738 113.909 114.554 0.156 0.000 3.043 249 T HA 0.226 4.574 4.350 -0.005 0.000 0.263 249 T C 1.702 176.634 174.700 0.387 0.000 1.094 249 T CA 0.394 62.642 62.100 0.247 0.000 1.127 249 T CB -0.313 68.691 68.868 0.227 0.000 0.905 249 T HN 0.316 nan 8.240 nan 0.000 0.490 250 I N 3.048 123.785 120.570 0.278 0.000 2.296 250 I HA -0.006 4.161 4.170 -0.005 0.000 0.242 250 I C 3.014 179.343 176.117 0.353 0.000 1.087 250 I CA 1.754 63.220 61.300 0.277 0.000 1.393 250 I CB -1.822 36.290 38.000 0.187 0.000 1.093 250 I HN 0.473 nan 8.210 nan 0.000 0.421 251 T N 0.017 114.732 114.554 0.269 0.000 2.915 251 T HA -0.019 4.328 4.350 -0.005 0.000 0.269 251 T C 1.986 176.847 174.700 0.268 0.000 1.071 251 T CA 1.034 63.301 62.100 0.279 0.000 1.132 251 T CB -0.526 68.457 68.868 0.191 0.000 0.878 251 T HN 0.248 nan 8.240 nan 0.000 0.479 252 A N 0.635 123.593 122.820 0.230 0.000 2.076 252 A HA -0.001 4.316 4.320 -0.005 0.000 0.220 252 A C 1.888 179.489 177.584 0.028 0.000 1.160 252 A CA 1.113 53.202 52.037 0.087 0.000 0.653 252 A CB -1.288 17.703 19.000 -0.016 0.000 0.801 252 A HN 0.772 nan 8.150 nan 0.000 0.455 253 W N -0.670 120.654 121.300 0.039 0.000 2.595 253 W HA 0.352 5.009 4.660 -0.005 0.000 0.257 253 W C 1.341 177.904 176.519 0.073 0.000 1.267 253 W CA 1.236 58.593 57.345 0.019 0.000 1.300 253 W CB -0.400 29.079 29.460 0.032 0.000 1.120 253 W HN 0.666 nan 8.180 nan 0.000 0.618 254 G N 0.251 109.228 108.800 0.296 0.000 2.719 254 G HA2 -0.277 3.680 3.960 -0.005 0.000 0.686 254 G HA3 -0.277 3.680 3.960 -0.005 0.000 0.686 254 G C 0.441 175.433 174.900 0.153 0.000 1.201 254 G CA -0.176 45.058 45.100 0.223 0.000 0.768 254 G HN 0.144 nan 8.290 nan 0.000 0.629 255 K N -0.131 120.248 120.400 -0.036 0.000 2.152 255 K HA -0.122 4.195 4.320 -0.005 0.000 0.206 255 K C 1.508 177.858 176.600 -0.417 0.000 1.048 255 K CA 1.932 57.955 56.287 -0.440 0.000 0.933 255 K CB -0.073 32.035 32.500 -0.653 0.000 0.721 255 K HN 0.463 nan 8.250 nan 0.000 0.447 256 D N -0.195 120.020 120.400 -0.308 0.000 2.363 256 D HA -0.070 4.567 4.640 -0.005 0.000 0.220 256 D C 0.433 176.362 176.300 -0.619 0.000 0.994 256 D CA 0.792 54.516 54.000 -0.460 0.000 0.890 256 D CB 0.134 40.636 40.800 -0.497 0.000 0.906 256 D HN 0.378 nan 8.370 nan 0.000 0.530 257 H N -0.301 118.725 119.070 -0.073 0.000 2.475 257 H HA 0.147 4.700 4.556 -0.005 0.000 0.276 257 H C 1.239 176.471 175.328 -0.159 0.000 1.126 257 H CA -0.138 55.880 56.048 -0.049 0.000 1.023 257 H CB 0.577 30.402 29.762 0.104 0.000 1.669 257 H HN 0.264 nan 8.280 nan 0.000 0.573 258 E N 1.881 121.966 120.200 -0.191 0.000 2.118 258 E HA -0.187 4.160 4.350 -0.005 0.000 0.195 258 E C 2.084 178.175 176.600 -0.848 0.000 0.992 258 E CA 0.955 57.081 56.400 -0.455 0.000 0.804 258 E CB 0.332 29.799 29.700 -0.388 0.000 0.741 258 E HN 0.321 nan 8.360 nan 0.000 0.458 259 K N 0.358 120.412 120.400 -0.576 0.000 2.026 259 K HA -0.186 4.131 4.320 -0.005 0.000 0.208 259 K C 1.652 178.044 176.600 -0.347 0.000 1.048 259 K CA 1.878 57.886 56.287 -0.465 0.000 0.929 259 K CB 0.014 32.359 32.500 -0.257 0.000 0.713 259 K HN 0.085 nan 8.250 nan 0.000 0.439 260 D N 0.537 120.769 120.400 -0.279 0.000 2.123 260 D HA -0.167 4.471 4.640 -0.005 0.000 0.196 260 D C 1.827 177.640 176.300 -0.812 0.000 0.992 260 D CA 1.367 55.178 54.000 -0.315 0.000 0.833 260 D CB -0.304 40.455 40.800 -0.068 0.000 0.954 260 D HN 0.377 nan 8.370 nan 0.000 0.455 261 A N 1.077 123.194 122.820 -1.171 0.000 1.865 261 A HA -0.204 4.113 4.320 -0.005 0.000 0.217 261 A C 2.085 179.391 177.584 -0.465 0.000 1.191 261 A CA 1.145 52.248 52.037 -1.557 0.000 0.623 261 A CB -0.956 17.359 19.000 -1.142 0.000 0.826 261 A HN 0.082 nan 8.150 nan 0.000 0.444 262 F N 0.016 119.705 119.950 -0.434 0.000 2.095 262 F HA -0.155 4.369 4.527 -0.005 0.000 0.298 262 F C 2.387 178.134 175.800 -0.088 0.000 1.104 262 F CA 1.344 59.193 58.000 -0.251 0.000 1.232 262 F CB -1.217 37.383 39.000 -0.666 0.000 0.987 262 F HN 0.531 nan 8.300 nan 0.000 0.475 263 E N -0.718 119.510 120.200 0.046 0.000 2.058 263 E HA -0.301 4.046 4.350 -0.005 0.000 0.194 263 E C 2.226 178.865 176.600 0.066 0.000 0.997 263 E CA 1.664 58.097 56.400 0.055 0.000 0.801 263 E CB -0.368 29.339 29.700 0.012 0.000 0.746 263 E HN 0.484 nan 8.360 nan 0.000 0.450 264 H N 0.004 119.021 119.070 -0.088 0.000 2.319 264 H HA -0.118 4.435 4.556 -0.005 0.000 0.299 264 H C 1.968 177.333 175.328 0.060 0.000 1.092 264 H CA 2.440 58.484 56.048 -0.007 0.000 1.302 264 H CB -0.142 29.617 29.762 -0.004 0.000 1.373 264 H HN 0.221 nan 8.280 nan 0.000 0.497 265 I N 0.039 120.715 120.570 0.176 0.000 2.202 265 I HA -0.237 3.930 4.170 -0.005 0.000 0.242 265 I C 2.543 178.774 176.117 0.190 0.000 1.091 265 I CA 1.350 62.786 61.300 0.227 0.000 1.368 265 I CB -0.310 37.872 38.000 0.303 0.000 1.058 265 I HN 0.330 nan 8.210 nan 0.000 0.410 266 V N -2.468 117.547 119.914 0.169 0.000 2.626 266 V HA -0.181 3.936 4.120 -0.005 0.000 0.252 266 V C 2.158 178.279 176.094 0.045 0.000 1.067 266 V CA 2.148 64.524 62.300 0.126 0.000 1.081 266 V CB -1.396 30.502 31.823 0.125 0.000 0.686 266 V HN 0.376 nan 8.190 nan 0.000 0.468 267 T N -0.248 114.299 114.554 -0.013 0.000 2.896 267 T HA -0.076 4.271 4.350 -0.005 0.000 0.263 267 T C 2.002 176.596 174.700 -0.177 0.000 1.050 267 T CA 1.399 63.456 62.100 -0.072 0.000 1.140 267 T CB -0.256 68.576 68.868 -0.059 0.000 0.877 267 T HN 0.502 nan 8.240 nan 0.000 0.457 268 Q N 0.411 120.020 119.800 -0.319 0.000 2.135 268 Q HA -0.017 4.320 4.340 -0.005 0.000 0.204 268 Q C 0.377 175.955 176.000 -0.703 0.000 0.981 268 Q CA 1.145 56.595 55.803 -0.589 0.000 0.856 268 Q CB -0.249 27.982 28.738 -0.845 0.000 0.902 268 Q HN 0.574 nan 8.270 nan 0.000 0.425 269 F N 0.527 120.447 119.950 -0.049 0.000 2.664 269 F HA 0.167 4.692 4.527 -0.004 0.000 0.322 269 F C 1.229 177.003 175.800 -0.042 0.000 1.324 269 F CA -0.416 57.562 58.000 -0.037 0.000 1.154 269 F CB 0.422 39.404 39.000 -0.031 0.000 1.236 269 F HN -0.071 nan 8.300 nan 0.000 0.532 270 S N -1.374 114.344 115.700 0.029 0.000 2.489 270 S HA -0.097 4.370 4.470 -0.005 0.000 0.228 270 S C 1.445 176.055 174.600 0.017 0.000 0.995 270 S CA 0.845 59.052 58.200 0.011 0.000 0.934 270 S CB -0.219 62.968 63.200 -0.021 0.000 0.771 270 S HN 0.399 nan 8.310 nan 0.000 0.522 271 S N 0.085 115.806 115.700 0.035 0.000 2.780 271 S HA 0.481 4.949 4.470 -0.005 0.000 0.248 271 S C 0.120 174.738 174.600 0.030 0.000 1.036 271 S CA -0.038 58.176 58.200 0.022 0.000 1.061 271 S CB 0.011 63.219 63.200 0.013 0.000 1.037 271 S HN 0.632 nan 8.310 nan 0.000 0.584 272 V N -2.655 117.293 119.914 0.056 0.000 3.074 272 V HA 0.769 4.886 4.120 -0.005 0.000 0.314 272 V C -3.301 172.793 176.094 0.001 0.000 1.117 272 V CA -3.163 59.156 62.300 0.032 0.000 1.014 272 V CB 0.851 32.711 31.823 0.062 0.000 1.057 272 V HN -0.115 nan 8.190 nan 0.000 0.438 273 P HA 0.235 nan 4.420 nan 0.000 0.265 273 P C -0.852 176.386 177.300 -0.103 0.000 1.187 273 P CA 0.348 63.398 63.100 -0.084 0.000 0.766 273 P CB 0.780 32.418 31.700 -0.104 0.000 0.820 274 V N 2.917 122.755 119.914 -0.127 0.000 2.623 274 V HA 0.412 4.529 4.120 -0.005 0.000 0.304 274 V C -0.572 175.403 176.094 -0.198 0.000 1.054 274 V CA -0.515 61.690 62.300 -0.158 0.000 0.882 274 V CB 1.978 33.764 31.823 -0.063 0.000 1.002 274 V HN 0.515 nan 8.190 nan 0.000 0.424 275 S N 5.648 121.225 115.700 -0.205 0.000 2.475 275 S HA 0.701 5.168 4.470 -0.005 0.000 0.281 275 S C -0.808 173.680 174.600 -0.187 0.000 1.198 275 S CA -0.415 57.663 58.200 -0.204 0.000 1.063 275 S CB 0.962 64.055 63.200 -0.179 0.000 0.972 275 S HN 0.803 nan 8.310 nan 0.000 0.486 276 V N 6.040 125.830 119.914 -0.207 0.000 2.380 276 V HA 0.365 4.482 4.120 -0.005 0.000 0.286 276 V C 0.156 176.171 176.094 -0.131 0.000 1.015 276 V CA -0.963 61.249 62.300 -0.148 0.000 0.834 276 V CB 1.345 33.102 31.823 -0.110 0.000 1.009 276 V HN 0.733 nan 8.190 nan 0.000 0.428 277 V N 4.909 124.752 119.914 -0.118 0.000 2.493 277 V HA 0.130 4.248 4.120 -0.005 0.000 0.292 277 V C 1.103 177.198 176.094 0.001 0.000 1.016 277 V CA 1.084 63.306 62.300 -0.129 0.000 1.097 277 V CB 1.557 33.171 31.823 -0.348 0.000 0.947 277 V HN 1.027 nan 8.190 nan 0.000 0.479 278 S N 3.669 119.414 115.700 0.075 0.000 2.650 278 S HA 0.144 4.611 4.470 -0.005 0.000 0.240 278 S C 0.722 175.438 174.600 0.193 0.000 1.007 278 S CA 0.097 58.445 58.200 0.245 0.000 0.984 278 S CB 0.026 63.402 63.200 0.293 0.000 0.910 278 S HN 1.004 nan 8.310 nan 0.000 0.509 279 D N 0.526 121.001 120.400 0.125 0.000 2.424 279 D HA 0.185 4.822 4.640 -0.005 0.000 0.220 279 D C 0.843 177.138 176.300 -0.008 0.000 1.150 279 D CA -0.014 54.014 54.000 0.046 0.000 0.831 279 D CB -0.145 40.670 40.800 0.025 0.000 0.981 279 D HN 0.020 nan 8.370 nan 0.000 0.500 280 S N -0.168 115.499 115.700 -0.055 0.000 2.387 280 S HA -0.170 4.297 4.470 -0.005 0.000 0.230 280 S C 0.814 174.952 174.600 -0.769 0.000 1.035 280 S CA 1.385 59.315 58.200 -0.451 0.000 1.014 280 S CB -0.271 62.517 63.200 -0.686 0.000 0.836 280 S HN 0.557 nan 8.310 nan 0.000 0.466 281 Y N -0.927 119.387 120.300 0.024 0.000 2.731 281 Y HA 0.396 4.943 4.550 -0.004 0.000 0.269 281 Y C 0.120 176.013 175.900 -0.012 0.000 1.156 281 Y CA -0.502 57.594 58.100 -0.007 0.000 1.191 281 Y CB 0.889 39.334 38.460 -0.025 0.000 1.382 281 Y HN 0.047 nan 8.280 nan 0.000 0.477 282 D N 0.261 120.733 120.400 0.121 0.000 2.318 282 D HA 0.099 4.736 4.640 -0.005 0.000 0.233 282 D C 0.189 176.479 176.300 -0.017 0.000 1.348 282 D CA -0.129 53.901 54.000 0.049 0.000 0.983 282 D CB 1.127 41.987 40.800 0.101 0.000 1.416 282 D HN 0.175 nan 8.370 nan 0.000 0.558 283 I N 3.810 124.268 120.570 -0.186 0.000 2.194 283 I HA -0.220 3.947 4.170 -0.005 0.000 0.246 283 I C 1.193 177.197 176.117 -0.187 0.000 1.093 283 I CA 1.794 62.946 61.300 -0.246 0.000 1.355 283 I CB -0.267 37.471 38.000 -0.437 0.000 1.046 283 I HN 0.454 nan 8.210 nan 0.000 0.413 284 Y N -0.219 120.143 120.300 0.103 0.000 2.220 284 Y HA -0.181 4.366 4.550 -0.005 0.000 0.291 284 Y C 2.531 178.494 175.900 0.104 0.000 1.129 284 Y CA 1.432 59.589 58.100 0.096 0.000 1.161 284 Y CB -0.793 37.710 38.460 0.072 0.000 0.997 284 Y HN 0.313 nan 8.280 nan 0.000 0.522 285 N N 0.663 119.489 118.700 0.210 0.000 2.120 285 N HA -0.195 4.542 4.740 -0.005 0.000 0.188 285 N C 1.848 177.431 175.510 0.123 0.000 1.024 285 N CA 1.419 54.553 53.050 0.140 0.000 0.852 285 N CB -0.321 38.222 38.487 0.094 0.000 1.003 285 N HN 0.284 nan 8.380 nan 0.000 0.424 286 A N -0.188 122.707 122.820 0.126 0.000 1.902 286 A HA -0.130 4.188 4.320 -0.005 0.000 0.217 286 A C 2.599 180.325 177.584 0.236 0.000 1.181 286 A CA 1.498 53.622 52.037 0.145 0.000 0.623 286 A CB -1.115 18.032 19.000 0.245 0.000 0.818 286 A HN 0.586 nan 8.150 nan 0.000 0.443 287 C N -1.214 118.277 119.300 0.318 0.000 2.453 287 C HA -0.029 4.428 4.460 -0.005 0.000 0.277 287 C C 2.684 177.885 174.990 0.353 0.000 1.262 287 C CA 1.191 60.454 59.018 0.408 0.000 1.718 287 C CB -1.044 26.878 27.740 0.302 0.000 2.031 287 C HN 0.782 nan 8.230 nan 0.000 0.480 288 E N 0.522 120.876 120.200 0.256 0.000 2.051 288 E HA -0.149 4.199 4.350 -0.005 0.000 0.189 288 E C 2.031 178.726 176.600 0.159 0.000 0.979 288 E CA 1.006 57.526 56.400 0.201 0.000 0.803 288 E CB 0.092 29.890 29.700 0.163 0.000 0.761 288 E HN 0.395 nan 8.360 nan 0.000 0.451 289 K N -0.025 120.454 120.400 0.133 0.000 2.121 289 K HA 0.153 4.471 4.320 -0.005 0.000 0.203 289 K C 1.922 178.568 176.600 0.078 0.000 1.041 289 K CA 0.633 56.971 56.287 0.084 0.000 0.969 289 K CB 0.102 32.632 32.500 0.050 0.000 0.799 289 K HN 0.078 nan 8.250 nan 0.000 0.456 290 I N -1.373 119.227 120.570 0.050 0.000 2.206 290 I HA -0.171 3.996 4.170 -0.005 0.000 0.239 290 I C 1.792 177.953 176.117 0.072 0.000 1.078 290 I CA 1.202 62.483 61.300 -0.031 0.000 1.367 290 I CB -0.338 37.543 38.000 -0.198 0.000 1.078 290 I HN 0.234 nan 8.210 nan 0.000 0.413 291 W N 0.894 122.334 121.300 0.235 0.000 2.418 291 W HA -0.007 4.650 4.660 -0.005 0.000 0.292 291 W C 2.486 179.182 176.519 0.294 0.000 1.213 291 W CA 0.656 58.138 57.345 0.228 0.000 1.283 291 W CB -0.477 29.091 29.460 0.180 0.000 1.119 291 W HN 0.106 nan 8.180 nan 0.000 0.542 292 G N -0.412 108.662 108.800 0.457 0.000 2.712 292 G HA2 -0.005 3.952 3.960 -0.005 0.000 0.212 292 G HA3 -0.005 3.952 3.960 -0.005 0.000 0.212 292 G C 1.012 175.935 174.900 0.040 0.000 1.142 292 G CA 0.765 46.002 45.100 0.227 0.000 0.789 292 G HN 0.277 nan 8.290 nan 0.000 0.535 293 E N -0.482 119.783 120.200 0.110 0.000 3.635 293 E HA 0.037 4.384 4.350 -0.005 0.000 0.183 293 E C 1.333 178.002 176.600 0.114 0.000 1.263 293 E CA -0.156 56.285 56.400 0.069 0.000 1.427 293 E CB 0.150 29.879 29.700 0.047 0.000 1.724 293 E HN -0.042 nan 8.360 nan 0.000 0.520 294 D N 1.214 121.678 120.400 0.107 0.000 2.123 294 D HA -0.120 4.517 4.640 -0.005 0.000 0.196 294 D C 1.597 178.022 176.300 0.209 0.000 0.992 294 D CA 1.256 55.329 54.000 0.121 0.000 0.833 294 D CB 0.202 41.034 40.800 0.053 0.000 0.954 294 D HN 0.130 nan 8.370 nan 0.000 0.455 295 L N -0.123 121.205 121.223 0.175 0.000 2.808 295 L HA 0.265 4.603 4.340 -0.005 0.000 0.246 295 L C 2.040 178.947 176.870 0.061 0.000 1.153 295 L CA -0.235 54.657 54.840 0.087 0.000 0.956 295 L CB 0.347 42.496 42.059 0.149 0.000 1.270 295 L HN -0.126 nan 8.230 nan 0.000 0.528 296 R N 0.922 121.540 120.500 0.197 0.000 2.117 296 R HA -0.215 4.122 4.340 -0.005 0.000 0.243 296 R C 2.397 178.767 176.300 0.117 0.000 1.143 296 R CA 2.054 58.280 56.100 0.210 0.000 0.968 296 R CB -0.201 30.152 30.300 0.089 0.000 0.863 296 R HN 0.563 nan 8.270 nan 0.000 0.444 297 H N -0.414 118.703 119.070 0.078 0.000 2.489 297 H HA -0.084 4.469 4.556 -0.004 0.000 0.293 297 H C 1.711 177.053 175.328 0.023 0.000 1.066 297 H CA 1.033 57.100 56.048 0.032 0.000 1.305 297 H CB -0.318 29.459 29.762 0.024 0.000 1.386 297 H HN 0.315 nan 8.280 nan 0.000 0.551 298 L N 0.061 121.040 121.223 -0.407 0.000 2.529 298 L HA 0.138 4.475 4.340 -0.005 0.000 0.223 298 L C 2.204 179.002 176.870 -0.121 0.000 1.113 298 L CA 0.141 54.841 54.840 -0.232 0.000 0.861 298 L CB 0.083 41.997 42.059 -0.243 0.000 1.012 298 L HN 0.145 nan 8.230 nan 0.000 0.461 299 I N -0.496 120.017 120.570 -0.094 0.000 2.556 299 I HA -0.115 4.052 4.170 -0.005 0.000 0.251 299 I C 2.328 178.174 176.117 -0.452 0.000 1.105 299 I CA 0.692 61.907 61.300 -0.142 0.000 1.436 299 I CB -0.029 37.978 38.000 0.012 0.000 1.139 299 I HN 0.068 nan 8.210 nan 0.000 0.438 300 V N -0.981 118.657 119.914 -0.461 0.000 3.078 300 V HA -0.112 4.005 4.120 -0.005 0.000 0.265 300 V C 2.086 177.826 176.094 -0.590 0.000 1.122 300 V CA 1.795 63.544 62.300 -0.917 0.000 1.141 300 V CB -1.077 30.562 31.823 -0.307 0.000 0.735 300 V HN 0.488 nan 8.190 nan 0.000 0.498 301 S N -0.626 114.886 115.700 -0.314 0.000 2.548 301 S HA 0.239 4.706 4.470 -0.005 0.000 0.215 301 S C 1.012 175.541 174.600 -0.118 0.000 0.976 301 S CA -0.435 57.675 58.200 -0.149 0.000 0.908 301 S CB -0.253 62.904 63.200 -0.071 0.000 0.781 301 S HN 0.684 nan 8.310 nan 0.000 0.519 302 R N 1.950 122.352 120.500 -0.164 0.000 2.641 302 R HA 0.421 4.758 4.340 -0.005 0.000 0.269 302 R C 0.383 176.704 176.300 0.034 0.000 1.074 302 R CA -0.056 56.013 56.100 -0.052 0.000 1.133 302 R CB 0.481 30.755 30.300 -0.043 0.000 1.029 302 R HN 0.280 nan 8.270 nan 0.000 0.488 303 S N 0.102 115.820 115.700 0.030 0.000 2.601 303 S HA 0.015 4.482 4.470 -0.005 0.000 0.271 303 S C 1.077 175.704 174.600 0.046 0.000 1.305 303 S CA -0.574 57.649 58.200 0.038 0.000 1.022 303 S CB 1.271 64.478 63.200 0.012 0.000 0.940 303 S HN 0.583 nan 8.310 nan 0.000 0.525 304 T N 3.456 118.032 114.554 0.037 0.000 2.803 304 T HA -0.116 4.231 4.350 -0.005 0.000 0.269 304 T C 1.425 176.109 174.700 -0.025 0.000 1.052 304 T CA 1.715 63.818 62.100 0.004 0.000 1.136 304 T CB -0.273 68.594 68.868 -0.001 0.000 0.864 304 T HN 0.683 nan 8.240 nan 0.000 0.467 305 Q N 0.182 119.968 119.800 -0.025 0.000 2.403 305 Q HA 0.408 4.745 4.340 -0.005 0.000 0.203 305 Q C 1.079 177.050 176.000 -0.048 0.000 0.932 305 Q CA 0.339 56.115 55.803 -0.045 0.000 0.945 305 Q CB 0.425 29.139 28.738 -0.039 0.000 1.045 305 Q HN 0.429 nan 8.270 nan 0.000 0.511 306 A N 1.101 123.902 122.820 -0.032 0.000 3.176 306 A HA 0.323 4.641 4.320 -0.005 0.000 0.265 306 A C -2.581 174.978 177.584 -0.041 0.000 0.936 306 A CA -1.196 50.821 52.037 -0.033 0.000 1.033 306 A CB 0.183 19.174 19.000 -0.014 0.000 1.158 306 A HN -0.007 nan 8.150 nan 0.000 0.485 307 P HA 0.160 nan 4.420 nan 0.000 0.269 307 P C -0.064 177.152 177.300 -0.140 0.000 1.215 307 P CA -0.080 62.972 63.100 -0.081 0.000 0.780 307 P CB 0.978 32.609 31.700 -0.114 0.000 0.898 308 L N 3.300 124.407 121.223 -0.193 0.000 2.410 308 L HA 0.235 4.573 4.340 -0.005 0.000 0.273 308 L C -0.246 176.407 176.870 -0.362 0.000 1.152 308 L CA 0.181 54.820 54.840 -0.334 0.000 0.855 308 L CB -0.500 41.250 42.059 -0.515 0.000 1.129 308 L HN 0.190 nan 8.230 nan 0.000 0.463 309 I N 6.931 127.290 120.570 -0.352 0.000 2.405 309 I HA 0.300 4.467 4.170 -0.005 0.000 0.280 309 I C -0.187 175.710 176.117 -0.367 0.000 1.027 309 I CA -0.355 60.756 61.300 -0.315 0.000 1.161 309 I CB 0.778 38.641 38.000 -0.229 0.000 1.300 309 I HN 0.500 nan 8.210 nan 0.000 0.463 310 I N 5.868 126.181 120.570 -0.428 0.000 2.587 310 I HA 0.103 4.271 4.170 -0.005 0.000 0.284 310 I C 0.732 176.715 176.117 -0.224 0.000 1.134 310 I CA 0.236 61.308 61.300 -0.381 0.000 1.410 310 I CB 0.264 38.032 38.000 -0.386 0.000 1.392 310 I HN 0.558 nan 8.210 nan 0.000 0.545 311 R N 9.030 129.437 120.500 -0.155 0.000 2.272 311 R HA 0.385 4.723 4.340 -0.005 0.000 0.323 311 R C -2.518 173.753 176.300 -0.049 0.000 1.002 311 R CA -1.670 54.372 56.100 -0.097 0.000 0.900 311 R CB 1.105 31.358 30.300 -0.078 0.000 1.151 311 R HN 0.294 nan 8.270 nan 0.000 0.507 312 P HA 0.136 nan 4.420 nan 0.000 0.274 312 P C -0.696 176.613 177.300 0.015 0.000 1.246 312 P CA -0.010 63.076 63.100 -0.023 0.000 0.795 312 P CB 0.977 32.651 31.700 -0.044 0.000 1.006 313 D N -1.309 119.116 120.400 0.041 0.000 2.783 313 D HA 0.156 4.793 4.640 -0.005 0.000 0.306 313 D C -0.901 175.438 176.300 0.064 0.000 1.633 313 D CA -0.041 54.011 54.000 0.088 0.000 0.796 313 D CB 0.045 40.948 40.800 0.173 0.000 1.230 313 D HN 0.371 nan 8.370 nan 0.000 0.441 314 S N -1.893 113.824 115.700 0.029 0.000 2.615 314 S HA 0.776 5.243 4.470 -0.005 0.000 0.268 314 S C 0.297 174.910 174.600 0.021 0.000 1.146 314 S CA -0.367 57.843 58.200 0.016 0.000 0.818 314 S CB 1.364 64.558 63.200 -0.011 0.000 1.111 314 S HN 0.769 nan 8.310 nan 0.000 0.465 315 G N 1.267 110.087 108.800 0.034 0.000 2.728 315 G HA2 -0.051 3.906 3.960 -0.005 0.000 0.294 315 G HA3 -0.051 3.906 3.960 -0.005 0.000 0.294 315 G C -0.593 174.342 174.900 0.059 0.000 1.342 315 G CA -0.268 44.867 45.100 0.059 0.000 0.866 315 G HN 1.367 nan 8.290 nan 0.000 0.534 316 N N 1.210 119.951 118.700 0.069 0.000 2.452 316 N HA 0.429 5.167 4.740 -0.005 0.000 0.266 316 N C -0.554 174.993 175.510 0.063 0.000 1.209 316 N CA -0.610 52.475 53.050 0.059 0.000 0.929 316 N CB 1.118 39.639 38.487 0.057 0.000 1.063 316 N HN 0.193 nan 8.380 nan 0.000 0.472 317 P HA -0.239 nan 4.420 nan 0.000 0.213 317 P C 1.467 178.803 177.300 0.060 0.000 1.170 317 P CA 0.961 64.096 63.100 0.059 0.000 0.902 317 P CB 0.152 31.888 31.700 0.060 0.000 0.789 318 L N -0.492 120.764 121.223 0.054 0.000 2.017 318 L HA -0.192 4.145 4.340 -0.005 0.000 0.208 318 L C 1.661 178.561 176.870 0.050 0.000 1.073 318 L CA 2.069 56.938 54.840 0.050 0.000 0.745 318 L CB -0.801 41.283 42.059 0.041 0.000 0.894 318 L HN -0.025 nan 8.230 nan 0.000 0.432 319 D N -0.883 119.551 120.400 0.057 0.000 2.144 319 D HA -0.142 4.495 4.640 -0.005 0.000 0.200 319 D C 2.047 178.399 176.300 0.086 0.000 0.978 319 D CA 1.592 55.628 54.000 0.061 0.000 0.833 319 D CB -0.089 40.748 40.800 0.061 0.000 0.961 319 D HN 0.341 nan 8.370 nan 0.000 0.470 320 T N 0.492 115.113 114.554 0.112 0.000 2.737 320 T HA -0.067 4.281 4.350 -0.005 0.000 0.265 320 T C 2.293 177.053 174.700 0.100 0.000 1.038 320 T CA 0.567 62.768 62.100 0.169 0.000 1.144 320 T CB -0.292 68.651 68.868 0.126 0.000 0.866 320 T HN -0.040 nan 8.240 nan 0.000 0.434 321 V N 1.836 121.767 119.914 0.028 0.000 2.287 321 V HA -0.140 3.977 4.120 -0.005 0.000 0.248 321 V C 2.531 178.563 176.094 -0.103 0.000 1.053 321 V CA 1.536 63.805 62.300 -0.052 0.000 1.027 321 V CB -0.737 31.048 31.823 -0.063 0.000 0.646 321 V HN 0.446 nan 8.190 nan 0.000 0.447 322 L N -0.293 120.898 121.223 -0.054 0.000 2.042 322 L HA -0.253 4.084 4.340 -0.005 0.000 0.210 322 L C 2.567 179.407 176.870 -0.050 0.000 1.076 322 L CA 2.150 56.951 54.840 -0.066 0.000 0.749 322 L CB -0.666 41.412 42.059 0.033 0.000 0.893 322 L HN 0.336 nan 8.230 nan 0.000 0.432 323 K N 0.078 120.485 120.400 0.012 0.000 2.062 323 K HA -0.111 4.206 4.320 -0.005 0.000 0.205 323 K C 2.074 178.716 176.600 0.070 0.000 1.051 323 K CA 0.912 57.213 56.287 0.023 0.000 0.941 323 K CB 0.069 32.542 32.500 -0.045 0.000 0.719 323 K HN 0.004 nan 8.250 nan 0.000 0.440 324 V N 1.931 121.909 119.914 0.106 0.000 2.282 324 V HA -0.295 3.822 4.120 -0.005 0.000 0.249 324 V C 2.295 178.337 176.094 -0.087 0.000 1.057 324 V CA 1.825 64.162 62.300 0.062 0.000 1.032 324 V CB -0.369 31.458 31.823 0.007 0.000 0.645 324 V HN 0.336 nan 8.190 nan 0.000 0.447 325 L N -0.307 120.739 121.223 -0.295 0.000 2.083 325 L HA -0.196 4.141 4.340 -0.005 0.000 0.209 325 L C 2.595 179.279 176.870 -0.310 0.000 1.083 325 L CA 1.882 56.329 54.840 -0.654 0.000 0.752 325 L CB -0.597 40.573 42.059 -1.481 0.000 0.899 325 L HN 0.395 nan 8.230 nan 0.000 0.433 326 E N 1.011 121.187 120.200 -0.040 0.000 2.077 326 E HA -0.218 4.130 4.350 -0.005 0.000 0.193 326 E C 2.068 178.774 176.600 0.177 0.000 0.989 326 E CA 1.431 57.956 56.400 0.208 0.000 0.800 326 E CB -0.183 29.617 29.700 0.167 0.000 0.746 326 E HN 0.420 nan 8.360 nan 0.000 0.452 327 I N 0.103 120.748 120.570 0.125 0.000 2.179 327 I HA -0.261 3.906 4.170 -0.005 0.000 0.242 327 I C 2.259 178.500 176.117 0.207 0.000 1.088 327 I CA 0.989 62.384 61.300 0.159 0.000 1.357 327 I CB -0.218 37.892 38.000 0.183 0.000 1.051 327 I HN 0.179 nan 8.210 nan 0.000 0.409 328 L N 0.193 121.535 121.223 0.197 0.000 2.141 328 L HA -0.086 4.251 4.340 -0.005 0.000 0.209 328 L C 2.595 179.690 176.870 0.374 0.000 1.094 328 L CA 1.276 56.301 54.840 0.309 0.000 0.763 328 L CB -1.014 41.108 42.059 0.105 0.000 0.908 328 L HN 0.314 nan 8.230 nan 0.000 0.437 329 G N -0.138 108.864 108.800 0.336 0.000 2.471 329 G HA2 -0.216 3.741 3.960 -0.005 0.000 0.219 329 G HA3 -0.216 3.741 3.960 -0.005 0.000 0.219 329 G C 1.681 176.743 174.900 0.271 0.000 1.125 329 G CA 0.452 45.802 45.100 0.416 0.000 0.775 329 G HN 0.295 nan 8.290 nan 0.000 0.548 330 K N -0.510 120.022 120.400 0.221 0.000 2.356 330 K HA 0.155 4.472 4.320 -0.005 0.000 0.195 330 K C 1.864 178.515 176.600 0.086 0.000 1.037 330 K CA 0.229 56.599 56.287 0.138 0.000 1.014 330 K CB 0.335 32.905 32.500 0.117 0.000 0.815 330 K HN -0.043 nan 8.250 nan 0.000 0.507 331 K N -0.483 119.977 120.400 0.100 0.000 2.354 331 K HA 0.207 4.524 4.320 -0.005 0.000 0.194 331 K C -0.209 176.140 176.600 -0.419 0.000 1.045 331 K CA 0.432 56.641 56.287 -0.131 0.000 1.026 331 K CB 0.553 32.975 32.500 -0.129 0.000 0.866 331 K HN -0.058 nan 8.250 nan 0.000 0.530 332 F N 0.946 120.973 119.950 0.128 0.000 2.593 332 F HA 0.348 4.872 4.527 -0.005 0.000 0.320 332 F C -2.205 173.664 175.800 0.115 0.000 1.060 332 F CA -2.718 55.367 58.000 0.141 0.000 0.940 332 F CB 1.529 40.619 39.000 0.151 0.000 1.268 332 F HN -0.273 nan 8.300 nan 0.000 0.475 333 P HA 0.189 nan 4.420 nan 0.000 0.277 333 P C -0.706 176.674 177.300 0.134 0.000 1.354 333 P CA -0.019 63.184 63.100 0.173 0.000 0.891 333 P CB 0.476 32.270 31.700 0.158 0.000 1.058 334 V N 4.183 124.170 119.914 0.123 0.000 2.546 334 V HA 0.334 4.451 4.120 -0.005 0.000 0.284 334 V C 1.129 177.244 176.094 0.035 0.000 1.050 334 V CA 0.052 62.407 62.300 0.092 0.000 0.981 334 V CB 1.212 33.098 31.823 0.104 0.000 0.990 334 V HN 0.603 nan 8.190 nan 0.000 0.474 335 T N 1.208 115.774 114.554 0.019 0.000 2.938 335 T HA 0.629 4.976 4.350 -0.005 0.000 0.285 335 T C -0.580 174.107 174.700 -0.022 0.000 1.028 335 T CA -0.800 61.300 62.100 -0.001 0.000 1.005 335 T CB 2.078 70.949 68.868 0.005 0.000 1.157 335 T HN 0.680 nan 8.240 nan 0.000 0.550 336 E N 1.270 121.455 120.200 -0.026 0.000 2.165 336 E HA 0.331 4.679 4.350 -0.005 0.000 0.266 336 E C -0.382 176.217 176.600 -0.002 0.000 0.889 336 E CA -0.874 55.505 56.400 -0.035 0.000 0.756 336 E CB 0.976 30.639 29.700 -0.063 0.000 1.131 336 E HN 0.732 nan 8.360 nan 0.000 0.411 337 N N 1.725 120.443 118.700 0.030 0.000 2.322 337 N HA -0.060 4.677 4.740 -0.005 0.000 0.270 337 N C 0.767 176.302 175.510 0.043 0.000 1.286 337 N CA 0.266 53.343 53.050 0.045 0.000 0.948 337 N CB 0.427 38.956 38.487 0.070 0.000 1.164 337 N HN 0.356 nan 8.380 nan 0.000 0.551 338 S N -1.943 113.783 115.700 0.044 0.000 2.507 338 S HA -0.013 4.454 4.470 -0.005 0.000 0.235 338 S C 0.863 175.494 174.600 0.051 0.000 0.988 338 S CA 0.403 58.624 58.200 0.035 0.000 0.944 338 S CB -0.294 62.923 63.200 0.027 0.000 0.762 338 S HN 0.519 nan 8.310 nan 0.000 0.526 339 K N 0.588 121.051 120.400 0.104 0.000 2.374 339 K HA 0.278 4.595 4.320 -0.005 0.000 0.196 339 K C 1.323 177.979 176.600 0.094 0.000 1.023 339 K CA 0.585 56.967 56.287 0.159 0.000 1.103 339 K CB 0.169 32.840 32.500 0.285 0.000 0.848 339 K HN 0.562 nan 8.250 nan 0.000 0.528 340 G N 1.095 109.895 108.800 -0.000 0.000 2.175 340 G HA2 -0.271 3.687 3.960 -0.005 0.000 0.244 340 G HA3 -0.271 3.687 3.960 -0.005 0.000 0.244 340 G C -0.313 174.390 174.900 -0.328 0.000 0.982 340 G CA -0.142 44.850 45.100 -0.179 0.000 0.641 340 G HN 0.243 nan 8.290 nan 0.000 0.527 341 Y N 0.933 121.205 120.300 -0.047 0.000 2.352 341 Y HA 0.567 5.114 4.550 -0.005 0.000 0.326 341 Y C 1.108 176.948 175.900 -0.101 0.000 1.166 341 Y CA -0.631 57.430 58.100 -0.066 0.000 1.182 341 Y CB 0.956 39.416 38.460 -0.001 0.000 1.216 341 Y HN -0.007 nan 8.280 nan 0.000 0.474 342 K N 2.638 122.985 120.400 -0.088 0.000 2.350 342 K HA 0.330 4.648 4.320 -0.005 0.000 0.279 342 K C -1.268 175.358 176.600 0.043 0.000 1.027 342 K CA -0.344 55.813 56.287 -0.216 0.000 0.969 342 K CB 0.594 32.607 32.500 -0.812 0.000 0.954 342 K HN 0.345 nan 8.250 nan 0.000 0.474 343 L N 4.331 125.597 121.223 0.072 0.000 2.409 343 L HA 0.355 4.693 4.340 -0.005 0.000 0.272 343 L C -0.982 175.966 176.870 0.131 0.000 0.980 343 L CA -0.509 54.412 54.840 0.135 0.000 0.826 343 L CB 1.383 43.482 42.059 0.067 0.000 1.268 343 L HN 0.537 nan 8.230 nan 0.000 0.407 344 L N 5.802 127.110 121.223 0.141 0.000 2.464 344 L HA 0.366 4.703 4.340 -0.005 0.000 0.264 344 L C -1.738 175.057 176.870 -0.124 0.000 1.199 344 L CA -1.702 53.156 54.840 0.029 0.000 0.818 344 L CB 0.154 42.176 42.059 -0.061 0.000 1.102 344 L HN 0.520 nan 8.230 nan 0.000 0.473 345 P HA 0.038 nan 4.420 nan 0.000 0.270 345 P C -2.162 174.792 177.300 -0.577 0.000 1.223 345 P CA -1.290 61.520 63.100 -0.483 0.000 0.785 345 P CB -0.179 30.985 31.700 -0.894 0.000 0.923 346 P HA -0.142 nan 4.420 nan 0.000 0.225 346 P C 0.917 178.076 177.300 -0.237 0.000 1.148 346 P CA 1.494 64.442 63.100 -0.252 0.000 0.779 346 P CB -0.462 31.168 31.700 -0.118 0.000 0.780 347 Y N -1.339 118.908 120.300 -0.087 0.000 2.502 347 Y HA 0.507 5.054 4.550 -0.005 0.000 0.295 347 Y C 0.454 176.225 175.900 -0.214 0.000 1.193 347 Y CA -1.144 56.881 58.100 -0.124 0.000 1.295 347 Y CB -0.800 37.605 38.460 -0.091 0.000 1.059 347 Y HN -0.201 nan 8.280 nan 0.000 0.514 348 L N 1.508 122.558 121.223 -0.289 0.000 2.476 348 L HA 0.645 4.982 4.340 -0.005 0.000 0.269 348 L C -1.268 175.416 176.870 -0.309 0.000 0.965 348 L CA -1.027 53.617 54.840 -0.327 0.000 0.845 348 L CB 1.435 43.202 42.059 -0.487 0.000 1.259 348 L HN 0.009 nan 8.230 nan 0.000 0.403 349 R N 2.777 123.102 120.500 -0.293 0.000 2.885 349 R HA 0.858 5.195 4.340 -0.005 0.000 0.260 349 R C -1.579 174.553 176.300 -0.279 0.000 1.107 349 R CA -0.864 55.085 56.100 -0.251 0.000 0.978 349 R CB 2.191 32.370 30.300 -0.202 0.000 1.227 349 R HN 0.386 nan 8.270 nan 0.000 0.473 350 V N 1.311 121.069 119.914 -0.260 0.000 2.841 350 V HA 0.574 4.692 4.120 -0.005 0.000 0.310 350 V C -0.531 175.395 176.094 -0.280 0.000 1.090 350 V CA -0.860 61.279 62.300 -0.269 0.000 0.930 350 V CB 2.626 34.283 31.823 -0.277 0.000 1.014 350 V HN 0.631 nan 8.190 nan 0.000 0.425 351 I N 2.964 123.382 120.570 -0.254 0.000 2.499 351 I HA 0.581 4.749 4.170 -0.005 0.000 0.288 351 I C -1.048 174.934 176.117 -0.224 0.000 1.048 351 I CA -0.609 60.531 61.300 -0.268 0.000 1.062 351 I CB 2.040 39.935 38.000 -0.175 0.000 1.238 351 I HN 0.770 nan 8.210 nan 0.000 0.426 352 Q N 5.505 125.122 119.800 -0.306 0.000 2.372 352 Q HA 0.538 4.875 4.340 -0.005 0.000 0.259 352 Q C -0.154 175.805 176.000 -0.069 0.000 0.993 352 Q CA -0.255 55.455 55.803 -0.154 0.000 0.854 352 Q CB 1.656 30.300 28.738 -0.156 0.000 1.231 352 Q HN 0.760 nan 8.270 nan 0.000 0.462 353 G N 3.006 111.818 108.800 0.020 0.000 3.735 353 G HA2 0.119 4.076 3.960 -0.005 0.000 0.283 353 G HA3 0.119 4.076 3.960 -0.005 0.000 0.283 353 G C -0.661 174.325 174.900 0.144 0.000 1.007 353 G CA -0.256 44.876 45.100 0.054 0.000 0.821 353 G HN 0.604 nan 8.290 nan 0.000 0.505 354 D N -0.656 119.806 120.400 0.103 0.000 2.278 354 D HA 0.462 5.099 4.640 -0.005 0.000 0.245 354 D C 1.150 177.492 176.300 0.070 0.000 1.052 354 D CA 0.339 54.397 54.000 0.096 0.000 0.834 354 D CB 1.157 42.007 40.800 0.083 0.000 1.194 354 D HN 0.238 nan 8.370 nan 0.000 0.481 355 G N 2.337 111.173 108.800 0.061 0.000 2.225 355 G HA2 -0.209 3.749 3.960 -0.005 0.000 0.267 355 G HA3 -0.209 3.749 3.960 -0.005 0.000 0.267 355 G C 0.079 174.996 174.900 0.027 0.000 1.024 355 G CA 0.315 45.441 45.100 0.042 0.000 0.784 355 G HN 0.543 nan 8.290 nan 0.000 0.507 356 V N 1.680 121.606 119.914 0.020 0.000 2.408 356 V HA 0.565 4.682 4.120 -0.005 0.000 0.267 356 V C 0.343 176.408 176.094 -0.048 0.000 1.047 356 V CA 0.320 62.609 62.300 -0.019 0.000 0.937 356 V CB 1.187 33.004 31.823 -0.010 0.000 0.999 356 V HN 0.666 nan 8.190 nan 0.000 0.472 357 D N 3.304 123.665 120.400 -0.065 0.000 2.798 357 D HA 0.249 4.886 4.640 -0.005 0.000 0.308 357 D C 0.936 177.183 176.300 -0.089 0.000 1.187 357 D CA -0.838 53.127 54.000 -0.057 0.000 1.033 357 D CB 1.091 41.886 40.800 -0.010 0.000 1.445 357 D HN 0.277 nan 8.370 nan 0.000 0.550 358 I N -0.070 120.473 120.570 -0.045 0.000 2.361 358 I HA -0.218 3.949 4.170 -0.005 0.000 0.251 358 I C 0.937 177.006 176.117 -0.081 0.000 1.133 358 I CA 1.203 62.467 61.300 -0.060 0.000 1.413 358 I CB -0.130 37.881 38.000 0.019 0.000 1.073 358 I HN 0.226 nan 8.210 nan 0.000 0.424 359 N N 0.522 119.192 118.700 -0.049 0.000 2.109 359 N HA -0.160 4.577 4.740 -0.005 0.000 0.188 359 N C 1.922 177.387 175.510 -0.076 0.000 1.034 359 N CA 2.214 55.234 53.050 -0.050 0.000 0.846 359 N CB -0.889 37.588 38.487 -0.018 0.000 1.010 359 N HN 0.498 nan 8.380 nan 0.000 0.425 360 T N 0.124 114.633 114.554 -0.075 0.000 2.867 360 T HA -0.025 4.322 4.350 -0.005 0.000 0.268 360 T C 2.138 176.743 174.700 -0.159 0.000 1.057 360 T CA 0.455 62.508 62.100 -0.077 0.000 1.136 360 T CB -0.576 68.271 68.868 -0.035 0.000 0.874 360 T HN 0.102 nan 8.240 nan 0.000 0.466 361 L N 0.855 121.915 121.223 -0.273 0.000 2.013 361 L HA -0.195 4.142 4.340 -0.005 0.000 0.212 361 L C 2.977 179.591 176.870 -0.428 0.000 1.073 361 L CA 2.257 56.767 54.840 -0.550 0.000 0.753 361 L CB -0.553 41.117 42.059 -0.648 0.000 0.890 361 L HN 0.337 nan 8.230 nan 0.000 0.432 362 Q N 0.261 119.893 119.800 -0.279 0.000 2.061 362 Q HA -0.319 4.018 4.340 -0.005 0.000 0.204 362 Q C 2.042 177.911 176.000 -0.219 0.000 0.984 362 Q CA 2.428 58.088 55.803 -0.239 0.000 0.846 362 Q CB -0.400 28.260 28.738 -0.130 0.000 0.902 362 Q HN 0.630 nan 8.270 nan 0.000 0.421 363 E N -0.337 119.781 120.200 -0.136 0.000 2.058 363 E HA -0.211 4.136 4.350 -0.005 0.000 0.194 363 E C 1.966 178.523 176.600 -0.071 0.000 0.997 363 E CA 1.673 58.027 56.400 -0.078 0.000 0.801 363 E CB -0.271 29.406 29.700 -0.038 0.000 0.746 363 E HN 0.581 nan 8.360 nan 0.000 0.450 364 I N 1.078 121.610 120.570 -0.063 0.000 2.179 364 I HA -0.254 3.913 4.170 -0.005 0.000 0.242 364 I C 2.681 178.792 176.117 -0.010 0.000 1.088 364 I CA 1.307 62.620 61.300 0.022 0.000 1.357 364 I CB -0.494 37.611 38.000 0.174 0.000 1.051 364 I HN 0.174 nan 8.210 nan 0.000 0.409 365 V N -0.797 119.029 119.914 -0.147 0.000 2.427 365 V HA -0.207 3.911 4.120 -0.005 0.000 0.248 365 V C 2.385 178.273 176.094 -0.344 0.000 1.051 365 V CA 2.008 64.157 62.300 -0.252 0.000 1.048 365 V CB -0.836 30.699 31.823 -0.481 0.000 0.666 365 V HN 0.400 nan 8.190 nan 0.000 0.456 366 E N 2.241 122.201 120.200 -0.401 0.000 2.047 366 E HA 0.000 4.348 4.350 -0.005 0.000 0.191 366 E C 2.181 178.816 176.600 0.058 0.000 0.987 366 E CA 1.937 58.273 56.400 -0.106 0.000 0.799 366 E CB -1.093 28.583 29.700 -0.039 0.000 0.752 366 E HN 0.536 nan 8.360 nan 0.000 0.449 367 G N 0.415 109.234 108.800 0.032 0.000 2.418 367 G HA2 -0.267 3.691 3.960 -0.005 0.000 0.217 367 G HA3 -0.267 3.691 3.960 -0.005 0.000 0.217 367 G C 1.665 176.649 174.900 0.139 0.000 1.158 367 G CA 1.122 46.271 45.100 0.082 0.000 0.771 367 G HN 0.258 nan 8.290 nan 0.000 0.545 368 M N 0.134 119.816 119.600 0.138 0.000 2.065 368 M HA -0.078 4.400 4.480 -0.005 0.000 0.259 368 M C 2.559 179.047 176.300 0.313 0.000 1.069 368 M CA 1.815 57.255 55.300 0.233 0.000 1.110 368 M CB -0.293 32.414 32.600 0.179 0.000 1.328 368 M HN 0.192 nan 8.290 nan 0.000 0.405 369 K N 0.237 120.794 120.400 0.262 0.000 2.063 369 K HA -0.267 4.050 4.320 -0.005 0.000 0.208 369 K C 2.002 178.807 176.600 0.341 0.000 1.048 369 K CA 1.857 58.345 56.287 0.335 0.000 0.928 369 K CB -0.092 32.615 32.500 0.345 0.000 0.713 369 K HN 0.217 nan 8.250 nan 0.000 0.442 370 Q N 0.597 120.543 119.800 0.243 0.000 2.135 370 Q HA -0.080 4.257 4.340 -0.005 0.000 0.204 370 Q C 1.140 177.238 176.000 0.164 0.000 0.981 370 Q CA 1.544 57.455 55.803 0.180 0.000 0.856 370 Q CB 0.247 29.070 28.738 0.143 0.000 0.902 370 Q HN 0.064 nan 8.270 nan 0.000 0.425 371 K N -0.505 120.025 120.400 0.217 0.000 2.476 371 K HA 0.096 4.413 4.320 -0.005 0.000 0.196 371 K C -0.121 176.535 176.600 0.092 0.000 1.025 371 K CA 0.039 56.448 56.287 0.204 0.000 1.138 371 K CB 0.629 33.334 32.500 0.342 0.000 0.860 371 K HN 0.266 nan 8.250 nan 0.000 0.515 372 M N -1.617 118.067 119.600 0.140 0.000 2.879 372 M HA -0.188 4.289 4.480 -0.005 0.000 0.210 372 M C -1.152 175.173 176.300 0.042 0.000 0.550 372 M CA 0.798 56.112 55.300 0.024 0.000 0.732 372 M CB -2.587 29.855 32.600 -0.263 0.000 2.662 372 M HN 0.183 nan 8.290 nan 0.000 0.516 373 W N 0.768 122.242 121.300 0.289 0.000 2.349 373 W HA 0.565 5.223 4.660 -0.004 0.000 0.309 373 W C 0.957 177.578 176.519 0.171 0.000 1.083 373 W CA -0.384 57.079 57.345 0.196 0.000 1.224 373 W CB 1.182 30.705 29.460 0.106 0.000 1.256 373 W HN 0.233 nan 8.180 nan 0.000 0.461 374 S N 3.485 119.410 115.700 0.374 0.000 2.560 374 S HA 0.024 4.492 4.470 -0.005 0.000 0.284 374 S C 1.218 175.898 174.600 0.134 0.000 1.327 374 S CA -0.443 57.847 58.200 0.152 0.000 1.055 374 S CB 0.417 63.703 63.200 0.144 0.000 0.868 374 S HN 0.411 nan 8.310 nan 0.000 0.506 375 I N 4.211 124.816 120.570 0.059 0.000 2.916 375 I HA -0.066 4.102 4.170 -0.005 0.000 0.267 375 I C 2.057 178.209 176.117 0.059 0.000 1.263 375 I CA 1.011 62.360 61.300 0.082 0.000 1.471 375 I CB -1.686 36.380 38.000 0.110 0.000 1.089 375 I HN 0.763 nan 8.210 nan 0.000 0.468 376 E N 0.898 121.127 120.200 0.050 0.000 2.209 376 E HA -0.199 4.148 4.350 -0.005 0.000 0.196 376 E C 1.632 178.234 176.600 0.003 0.000 0.993 376 E CA 0.863 57.281 56.400 0.031 0.000 0.819 376 E CB -0.092 29.627 29.700 0.032 0.000 0.745 376 E HN 0.537 nan 8.360 nan 0.000 0.477 377 N N 0.194 118.902 118.700 0.013 0.000 2.459 377 N HA -0.025 4.712 4.740 -0.005 0.000 0.181 377 N C 0.275 175.707 175.510 -0.130 0.000 1.046 377 N CA 0.553 53.578 53.050 -0.041 0.000 0.904 377 N CB 0.386 38.877 38.487 0.006 0.000 0.964 377 N HN 0.122 nan 8.380 nan 0.000 0.444 378 I N -0.132 120.355 120.570 -0.138 0.000 2.646 378 I HA 0.533 4.700 4.170 -0.005 0.000 0.299 378 I C -1.095 174.844 176.117 -0.297 0.000 1.036 378 I CA -0.849 60.278 61.300 -0.287 0.000 1.074 378 I CB 1.932 39.716 38.000 -0.359 0.000 1.258 378 I HN -0.096 nan 8.210 nan 0.000 0.430 379 A N 5.190 127.741 122.820 -0.449 0.000 2.532 379 A HA 0.878 5.196 4.320 -0.005 0.000 0.290 379 A C -1.774 175.388 177.584 -0.703 0.000 1.143 379 A CA -0.419 51.406 52.037 -0.354 0.000 0.728 379 A CB 0.944 19.860 19.000 -0.140 0.000 1.317 379 A HN 0.482 nan 8.150 nan 0.000 0.414 380 F N -0.376 119.487 119.950 -0.145 0.000 2.563 380 F HA 0.657 5.181 4.527 -0.004 0.000 0.316 380 F C 0.795 176.361 175.800 -0.391 0.000 1.076 380 F CA -0.382 57.480 58.000 -0.231 0.000 0.921 380 F CB 2.637 41.512 39.000 -0.208 0.000 1.209 380 F HN 0.756 nan 8.300 nan 0.000 0.462 381 G N 0.210 108.720 108.800 -0.484 0.000 2.416 381 G HA2 0.532 4.489 3.960 -0.005 0.000 0.329 381 G HA3 0.532 4.489 3.960 -0.005 0.000 0.329 381 G C -1.510 172.957 174.900 -0.721 0.000 1.173 381 G CA -0.710 43.616 45.100 -1.290 0.000 0.929 381 G HN 0.610 nan 8.290 nan 0.000 0.475 382 S N 0.263 115.642 115.700 -0.535 0.000 2.572 382 S HA 0.693 5.160 4.470 -0.005 0.000 0.274 382 S C 0.687 175.256 174.600 -0.051 0.000 1.150 382 S CA 0.165 58.243 58.200 -0.203 0.000 0.944 382 S CB 1.419 64.503 63.200 -0.194 0.000 1.071 382 S HN 0.989 nan 8.310 nan 0.000 0.479 383 G N 3.082 111.923 108.800 0.069 0.000 2.571 383 G HA2 0.338 4.295 3.960 -0.005 0.000 0.225 383 G HA3 0.338 4.295 3.960 -0.005 0.000 0.225 383 G C 1.347 176.288 174.900 0.068 0.000 1.731 383 G CA 0.514 45.684 45.100 0.117 0.000 0.858 383 G HN 0.992 nan 8.290 nan 0.000 0.611 384 G N 0.751 109.597 108.800 0.076 0.000 2.469 384 G HA2 0.015 3.973 3.960 -0.005 0.000 0.219 384 G HA3 0.015 3.973 3.960 -0.005 0.000 0.219 384 G C 1.764 176.698 174.900 0.057 0.000 1.150 384 G CA 1.637 46.779 45.100 0.069 0.000 0.763 384 G HN 0.744 nan 8.290 nan 0.000 0.561 385 G N 0.268 109.088 108.800 0.034 0.000 2.448 385 G HA2 -0.070 3.888 3.960 -0.005 0.000 0.219 385 G HA3 -0.070 3.888 3.960 -0.005 0.000 0.219 385 G C 1.692 176.598 174.900 0.010 0.000 1.127 385 G CA 0.999 46.112 45.100 0.022 0.000 0.766 385 G HN 0.406 nan 8.290 nan 0.000 0.552 386 L N -0.527 120.683 121.223 -0.023 0.000 2.127 386 L HA 0.372 4.709 4.340 -0.005 0.000 0.203 386 L C 2.270 179.134 176.870 -0.010 0.000 1.080 386 L CA 1.289 56.089 54.840 -0.068 0.000 0.768 386 L CB 0.028 41.968 42.059 -0.198 0.000 0.924 386 L HN 0.162 nan 8.230 nan 0.000 0.444 387 L N -2.034 119.216 121.223 0.044 0.000 2.749 387 L HA 0.212 4.550 4.340 -0.005 0.000 0.242 387 L C 1.694 178.710 176.870 0.244 0.000 1.103 387 L CA 0.126 55.044 54.840 0.131 0.000 0.906 387 L CB 0.338 42.466 42.059 0.114 0.000 1.228 387 L HN 0.264 nan 8.230 nan 0.000 0.517 388 Q N 0.604 120.507 119.800 0.171 0.000 2.471 388 Q HA 0.069 4.406 4.340 -0.005 0.000 0.259 388 Q C 1.068 177.165 176.000 0.162 0.000 0.850 388 Q CA 0.573 56.474 55.803 0.162 0.000 0.981 388 Q CB 0.608 29.409 28.738 0.104 0.000 1.180 388 Q HN 0.049 nan 8.270 nan 0.000 0.571 389 K N 1.228 121.705 120.400 0.129 0.000 2.737 389 K HA 0.300 4.618 4.320 -0.005 0.000 0.251 389 K C -1.216 175.461 176.600 0.128 0.000 1.280 389 K CA 0.033 56.384 56.287 0.107 0.000 1.219 389 K CB -0.634 31.911 32.500 0.075 0.000 1.587 389 K HN 0.142 nan 8.250 nan 0.000 0.279 390 L N 0.556 121.897 121.223 0.197 0.000 2.472 390 L HA 0.389 4.726 4.340 -0.005 0.000 0.260 390 L C -0.313 176.731 176.870 0.290 0.000 0.963 390 L CA -0.899 54.084 54.840 0.238 0.000 0.829 390 L CB 2.405 44.664 42.059 0.334 0.000 1.348 390 L HN 0.257 nan 8.230 nan 0.000 0.408 391 T N -2.492 112.100 114.554 0.063 0.000 2.907 391 T HA 0.368 4.715 4.350 -0.005 0.000 0.290 391 T C 0.589 174.819 174.700 -0.784 0.000 1.066 391 T CA -0.806 61.085 62.100 -0.348 0.000 1.012 391 T CB 2.061 70.778 68.868 -0.251 0.000 1.184 391 T HN 0.689 nan 8.240 nan 0.000 0.522 392 R N -0.084 119.512 120.500 -1.507 0.000 2.293 392 R HA -0.067 4.270 4.340 -0.005 0.000 0.219 392 R C 0.509 176.544 176.300 -0.442 0.000 1.091 392 R CA 1.433 56.817 56.100 -1.194 0.000 1.004 392 R CB -0.305 29.159 30.300 -1.394 0.000 0.865 392 R HN 0.648 nan 8.270 nan 0.000 0.469 393 D N 0.232 120.426 120.400 -0.344 0.000 2.354 393 D HA -0.086 4.551 4.640 -0.005 0.000 0.209 393 D C 1.646 177.873 176.300 -0.122 0.000 1.015 393 D CA 0.163 54.050 54.000 -0.188 0.000 0.867 393 D CB 0.248 40.953 40.800 -0.158 0.000 0.933 393 D HN 0.197 nan 8.370 nan 0.000 0.520 394 L N 0.503 121.650 121.223 -0.126 0.000 2.046 394 L HA -0.082 4.255 4.340 -0.005 0.000 0.208 394 L C 1.679 178.481 176.870 -0.113 0.000 1.077 394 L CA 1.656 56.424 54.840 -0.120 0.000 0.747 394 L CB -0.176 41.780 42.059 -0.171 0.000 0.896 394 L HN -0.049 nan 8.230 nan 0.000 0.432 395 L N -0.727 120.452 121.223 -0.073 0.000 2.769 395 L HA 0.233 4.570 4.340 -0.005 0.000 0.240 395 L C 0.544 177.400 176.870 -0.023 0.000 1.163 395 L CA -0.049 54.779 54.840 -0.020 0.000 0.962 395 L CB -0.295 41.787 42.059 0.038 0.000 1.258 395 L HN 0.335 nan 8.230 nan 0.000 0.513 396 N N 0.402 119.066 118.700 -0.060 0.000 2.758 396 N HA -0.171 4.567 4.740 -0.005 0.000 0.248 396 N C -0.343 175.085 175.510 -0.136 0.000 1.076 396 N CA 0.267 53.266 53.050 -0.085 0.000 0.696 396 N CB -1.581 36.873 38.487 -0.054 0.000 0.979 396 N HN 0.292 nan 8.380 nan 0.000 0.550 397 C N 0.577 119.795 119.300 -0.138 0.000 2.629 397 C HA 0.568 5.025 4.460 -0.005 0.000 0.410 397 C C 0.797 175.594 174.990 -0.323 0.000 1.339 397 C CA -0.279 58.571 59.018 -0.279 0.000 1.810 397 C CB -0.134 27.639 27.740 0.053 0.000 2.549 397 C HN 0.471 nan 8.230 nan 0.000 0.589 398 S N 1.814 117.179 115.700 -0.558 0.000 2.537 398 S HA 0.679 5.147 4.470 -0.005 0.000 0.270 398 S C -1.150 173.222 174.600 -0.381 0.000 1.142 398 S CA -0.432 57.576 58.200 -0.320 0.000 0.870 398 S CB 1.420 64.482 63.200 -0.231 0.000 1.112 398 S HN 0.641 nan 8.310 nan 0.000 0.466 399 F N 2.488 122.255 119.950 -0.305 0.000 2.518 399 F HA 0.704 5.228 4.527 -0.005 0.000 0.323 399 F C -1.010 174.649 175.800 -0.235 0.000 1.129 399 F CA -0.406 57.428 58.000 -0.278 0.000 0.920 399 F CB 0.919 39.924 39.000 0.009 0.000 1.160 399 F HN 0.267 nan 8.300 nan 0.000 0.440 400 K N 5.183 125.293 120.400 -0.483 0.000 2.498 400 K HA 0.257 4.575 4.320 -0.005 0.000 0.254 400 K C -1.448 175.080 176.600 -0.121 0.000 0.933 400 K CA -0.637 55.536 56.287 -0.189 0.000 0.806 400 K CB 1.600 34.013 32.500 -0.146 0.000 1.301 400 K HN 0.746 nan 8.250 nan 0.000 0.432 401 C N 2.504 121.858 119.300 0.089 0.000 2.629 401 C HA 0.194 4.651 4.460 -0.005 0.000 0.410 401 C C 1.605 176.756 174.990 0.268 0.000 1.339 401 C CA 0.410 59.537 59.018 0.181 0.000 1.810 401 C CB -1.269 26.599 27.740 0.213 0.000 2.549 401 C HN 0.848 nan 8.230 nan 0.000 0.589 402 S N 3.616 119.542 115.700 0.376 0.000 2.578 402 S HA 0.232 4.699 4.470 -0.005 0.000 0.228 402 S C -0.324 174.512 174.600 0.393 0.000 1.022 402 S CA -0.167 58.266 58.200 0.388 0.000 0.967 402 S CB 0.064 63.483 63.200 0.365 0.000 0.914 402 S HN 0.946 nan 8.310 nan 0.000 0.515 403 Y N 1.305 121.743 120.300 0.229 0.000 2.480 403 Y HA 0.556 5.103 4.550 -0.005 0.000 0.329 403 Y C -1.429 174.540 175.900 0.114 0.000 1.127 403 Y CA -1.149 57.007 58.100 0.094 0.000 1.037 403 Y CB 1.888 40.272 38.460 -0.126 0.000 1.320 403 Y HN 0.302 nan 8.280 nan 0.000 0.446 404 V N 2.952 122.560 119.914 -0.510 0.000 3.007 404 V HA 0.895 5.012 4.120 -0.005 0.000 0.311 404 V C -1.804 173.923 176.094 -0.612 0.000 1.120 404 V CA -1.008 61.058 62.300 -0.390 0.000 0.980 404 V CB 1.566 33.304 31.823 -0.141 0.000 1.033 404 V HN 0.594 nan 8.190 nan 0.000 0.429 405 V N 2.415 122.112 119.914 -0.361 0.000 2.384 405 V HA 0.705 4.822 4.120 -0.005 0.000 0.287 405 V C 0.110 176.110 176.094 -0.157 0.000 1.020 405 V CA 0.044 62.193 62.300 -0.251 0.000 0.850 405 V CB 1.604 33.344 31.823 -0.137 0.000 0.987 405 V HN 1.124 nan 8.190 nan 0.000 0.436 406 T N 4.105 118.581 114.554 -0.130 0.000 2.881 406 T HA 0.399 4.747 4.350 -0.005 0.000 0.290 406 T C 0.168 174.824 174.700 -0.074 0.000 1.000 406 T CA -0.554 61.484 62.100 -0.102 0.000 0.978 406 T CB 1.020 69.835 68.868 -0.089 0.000 0.997 406 T HN 0.669 nan 8.240 nan 0.000 0.443 407 N N 1.700 120.360 118.700 -0.067 0.000 2.721 407 N HA -0.231 4.507 4.740 -0.005 0.000 0.249 407 N C 1.190 176.678 175.510 -0.036 0.000 1.072 407 N CA 1.526 54.547 53.050 -0.047 0.000 0.710 407 N CB -1.308 37.155 38.487 -0.039 0.000 0.993 407 N HN 1.372 nan 8.380 nan 0.000 0.547 408 G N -1.759 107.019 108.800 -0.037 0.000 2.189 408 G HA2 -0.322 3.635 3.960 -0.005 0.000 0.267 408 G HA3 -0.322 3.635 3.960 -0.005 0.000 0.267 408 G C -0.086 174.802 174.900 -0.019 0.000 0.975 408 G CA 0.535 45.622 45.100 -0.022 0.000 0.644 408 G HN 0.411 nan 8.290 nan 0.000 0.537 409 L N 1.705 122.907 121.223 -0.035 0.000 2.265 409 L HA 0.615 4.952 4.340 -0.005 0.000 0.289 409 L C 1.126 177.953 176.870 -0.071 0.000 1.033 409 L CA 0.415 55.236 54.840 -0.031 0.000 0.814 409 L CB 0.758 42.800 42.059 -0.029 0.000 1.203 409 L HN 0.199 nan 8.230 nan 0.000 0.423 410 G N 6.008 114.783 108.800 -0.042 0.000 2.403 410 G HA2 0.459 4.416 3.960 -0.005 0.000 0.259 410 G HA3 0.459 4.416 3.960 -0.005 0.000 0.259 410 G C -0.365 174.480 174.900 -0.092 0.000 1.244 410 G CA -0.329 44.685 45.100 -0.143 0.000 0.849 410 G HN 0.664 nan 8.290 nan 0.000 0.532 411 I N -0.239 120.184 120.570 -0.245 0.000 2.619 411 I HA 0.451 4.618 4.170 -0.005 0.000 0.292 411 I C -1.345 174.795 176.117 0.037 0.000 1.100 411 I CA -1.332 59.939 61.300 -0.048 0.000 1.043 411 I CB 2.526 40.503 38.000 -0.039 0.000 1.239 411 I HN 0.170 nan 8.210 nan 0.000 0.420 412 N N 6.400 125.199 118.700 0.164 0.000 2.406 412 N HA 0.384 5.121 4.740 -0.005 0.000 0.251 412 N C -0.209 175.463 175.510 0.270 0.000 1.069 412 N CA -0.180 53.009 53.050 0.231 0.000 0.947 412 N CB 1.678 40.254 38.487 0.148 0.000 1.111 412 N HN 0.591 nan 8.380 nan 0.000 0.497 413 V N 0.219 120.307 119.914 0.291 0.000 2.881 413 V HA 0.946 5.063 4.120 -0.005 0.000 0.316 413 V C -0.379 175.994 176.094 0.466 0.000 1.070 413 V CA -0.821 61.670 62.300 0.318 0.000 0.976 413 V CB 1.196 33.106 31.823 0.145 0.000 1.038 413 V HN 0.544 nan 8.190 nan 0.000 0.446 414 F N 0.008 120.007 119.950 0.082 0.000 2.858 414 F HA 0.793 5.317 4.527 -0.004 0.000 0.319 414 F C -1.001 174.837 175.800 0.063 0.000 1.166 414 F CA -1.273 56.777 58.000 0.085 0.000 0.899 414 F CB 1.565 40.606 39.000 0.070 0.000 1.332 414 F HN 0.800 nan 8.300 nan 0.000 0.461 415 K N 0.162 120.561 120.400 -0.003 0.000 2.281 415 K HA 0.703 5.020 4.320 -0.005 0.000 0.242 415 K C -1.925 174.734 176.600 0.098 0.000 0.971 415 K CA -0.746 55.479 56.287 -0.104 0.000 0.834 415 K CB 2.345 34.830 32.500 -0.024 0.000 1.181 415 K HN 0.710 nan 8.250 nan 0.000 0.435 416 D N 1.730 122.160 120.400 0.050 0.000 2.934 416 D HA 0.282 4.919 4.640 -0.005 0.000 0.249 416 D C -2.597 173.740 176.300 0.061 0.000 1.293 416 D CA -1.171 52.911 54.000 0.136 0.000 0.812 416 D CB 0.727 41.693 40.800 0.276 0.000 1.439 416 D HN 0.357 nan 8.370 nan 0.000 0.555 417 P HA 0.012 nan 4.420 nan 0.000 0.263 417 P C 1.281 178.597 177.300 0.026 0.000 1.195 417 P CA -0.383 62.729 63.100 0.020 0.000 0.762 417 P CB 1.433 33.142 31.700 0.015 0.000 0.799 418 V N 3.556 123.481 119.914 0.020 0.000 2.317 418 V HA -0.306 3.811 4.120 -0.005 0.000 0.251 418 V C 1.736 177.841 176.094 0.018 0.000 1.065 418 V CA 2.821 65.134 62.300 0.021 0.000 1.049 418 V CB -0.901 30.931 31.823 0.015 0.000 0.651 418 V HN 0.713 nan 8.190 nan 0.000 0.450 419 A N -1.568 121.260 122.820 0.013 0.000 2.308 419 A HA 0.197 4.514 4.320 -0.005 0.000 0.217 419 A C 0.729 178.320 177.584 0.012 0.000 1.216 419 A CA 0.678 52.722 52.037 0.011 0.000 0.864 419 A CB -0.018 18.986 19.000 0.006 0.000 0.902 419 A HN 0.564 nan 8.150 nan 0.000 0.499 420 D N -0.754 119.655 120.400 0.016 0.000 2.381 420 D HA 0.212 4.850 4.640 -0.005 0.000 0.245 420 D C -2.244 174.071 176.300 0.025 0.000 1.297 420 D CA -1.346 52.664 54.000 0.017 0.000 0.931 420 D CB 1.383 42.190 40.800 0.011 0.000 1.334 420 D HN -0.021 nan 8.370 nan 0.000 0.535 421 P HA -0.089 nan 4.420 nan 0.000 0.223 421 P C 0.775 178.095 177.300 0.033 0.000 1.144 421 P CA 0.539 63.659 63.100 0.035 0.000 0.783 421 P CB 0.528 32.246 31.700 0.030 0.000 0.771 422 N N 0.252 118.967 118.700 0.024 0.000 2.459 422 N HA -0.046 4.691 4.740 -0.005 0.000 0.181 422 N C 1.331 176.853 175.510 0.020 0.000 1.046 422 N CA 0.733 53.796 53.050 0.020 0.000 0.904 422 N CB -0.244 38.250 38.487 0.012 0.000 0.964 422 N HN 0.332 nan 8.380 nan 0.000 0.444 423 K N 0.647 121.062 120.400 0.024 0.000 2.444 423 K HA 0.071 4.388 4.320 -0.005 0.000 0.193 423 K C 0.559 177.192 176.600 0.056 0.000 1.024 423 K CA -0.211 56.093 56.287 0.027 0.000 1.077 423 K CB 0.438 32.949 32.500 0.019 0.000 0.833 423 K HN 0.096 nan 8.250 nan 0.000 0.517 424 R N 2.221 122.764 120.500 0.073 0.000 2.538 424 R HA -0.026 4.312 4.340 -0.005 0.000 0.282 424 R C -0.086 176.295 176.300 0.135 0.000 1.009 424 R CA 0.239 56.410 56.100 0.119 0.000 1.063 424 R CB 0.467 30.833 30.300 0.110 0.000 0.945 424 R HN 0.053 nan 8.270 nan 0.000 0.414 425 S N 2.985 118.807 115.700 0.203 0.000 2.681 425 S HA 0.400 4.867 4.470 -0.005 0.000 0.299 425 S C -0.541 174.200 174.600 0.235 0.000 1.113 425 S CA -1.025 57.319 58.200 0.241 0.000 1.013 425 S CB 1.808 65.156 63.200 0.247 0.000 1.076 425 S HN 0.551 nan 8.310 nan 0.000 0.534 426 K N 0.680 121.212 120.400 0.220 0.000 2.168 426 K HA 0.321 4.638 4.320 -0.005 0.000 0.258 426 K C -0.395 176.229 176.600 0.040 0.000 1.010 426 K CA -0.362 55.924 56.287 -0.001 0.000 0.929 426 K CB 0.543 32.874 32.500 -0.281 0.000 0.998 426 K HN 0.506 nan 8.250 nan 0.000 0.479 427 K N 1.096 121.463 120.400 -0.055 0.000 2.235 427 K HA 0.380 4.697 4.320 -0.005 0.000 0.266 427 K C 0.020 176.611 176.600 -0.015 0.000 0.980 427 K CA -0.383 55.898 56.287 -0.010 0.000 0.849 427 K CB 1.690 34.089 32.500 -0.168 0.000 1.098 427 K HN 0.850 nan 8.250 nan 0.000 0.445 428 G N 2.283 111.130 108.800 0.080 0.000 2.681 428 G HA2 -0.276 3.681 3.960 -0.005 0.000 0.220 428 G HA3 -0.276 3.681 3.960 -0.005 0.000 0.220 428 G C -0.854 173.934 174.900 -0.188 0.000 1.353 428 G CA -0.817 44.290 45.100 0.012 0.000 0.872 428 G HN 0.627 nan 8.290 nan 0.000 0.557 429 R N -0.424 119.768 120.500 -0.514 0.000 2.442 429 R HA 0.485 4.822 4.340 -0.005 0.000 0.291 429 R C 0.340 176.475 176.300 -0.275 0.000 1.069 429 R CA -0.020 55.656 56.100 -0.706 0.000 1.022 429 R CB 0.236 30.022 30.300 -0.856 0.000 0.976 429 R HN 0.428 nan 8.270 nan 0.000 0.443 430 L N 1.435 122.619 121.223 -0.065 0.000 2.330 430 L HA 0.565 4.903 4.340 -0.005 0.000 0.271 430 L C 0.013 176.884 176.870 0.002 0.000 1.013 430 L CA -0.733 54.081 54.840 -0.043 0.000 0.816 430 L CB 2.050 44.050 42.059 -0.098 0.000 1.287 430 L HN 0.734 nan 8.230 nan 0.000 0.435 431 S N 1.216 116.910 115.700 -0.010 0.000 2.556 431 S HA 0.715 5.183 4.470 -0.005 0.000 0.271 431 S C -1.285 173.253 174.600 -0.103 0.000 1.135 431 S CA -0.809 57.368 58.200 -0.039 0.000 0.858 431 S CB 2.223 65.459 63.200 0.060 0.000 1.114 431 S HN 0.412 nan 8.310 nan 0.000 0.468 432 L N 1.860 122.918 121.223 -0.276 0.000 2.307 432 L HA 0.752 5.089 4.340 -0.005 0.000 0.284 432 L C -1.286 175.311 176.870 -0.456 0.000 1.023 432 L CA 0.157 54.879 54.840 -0.196 0.000 0.810 432 L CB 0.960 42.978 42.059 -0.069 0.000 1.231 432 L HN 0.970 nan 8.230 nan 0.000 0.423 433 H N 2.790 121.886 119.070 0.043 0.000 2.928 433 H HA 0.637 5.191 4.556 -0.005 0.000 0.371 433 H C -0.757 174.588 175.328 0.028 0.000 1.186 433 H CA -1.013 55.056 56.048 0.034 0.000 1.134 433 H CB 1.306 31.056 29.762 -0.021 0.000 1.824 433 H HN 0.329 nan 8.280 nan 0.000 0.554 434 R N 1.133 121.708 120.500 0.126 0.000 2.390 434 R HA 0.205 4.542 4.340 -0.005 0.000 0.291 434 R C 0.077 176.455 176.300 0.131 0.000 1.070 434 R CA -0.323 55.765 56.100 -0.021 0.000 1.014 434 R CB 0.560 30.828 30.300 -0.052 0.000 1.007 434 R HN 0.878 nan 8.270 nan 0.000 0.466 435 T N -0.494 114.103 114.554 0.073 0.000 2.816 435 T HA 0.243 4.591 4.350 -0.005 0.000 0.282 435 T C -1.586 173.146 174.700 0.054 0.000 0.993 435 T CA -1.561 60.640 62.100 0.168 0.000 0.994 435 T CB 0.938 69.888 68.868 0.137 0.000 1.025 435 T HN 0.217 nan 8.240 nan 0.000 0.529 436 P HA 0.033 nan 4.420 nan 0.000 0.218 436 P C 1.235 178.521 177.300 -0.023 0.000 1.148 436 P CA 1.097 64.180 63.100 -0.028 0.000 0.822 436 P CB -0.255 31.410 31.700 -0.058 0.000 0.784 437 A N -1.051 121.761 122.820 -0.013 0.000 2.238 437 A HA 0.415 4.732 4.320 -0.005 0.000 0.208 437 A C 1.595 179.154 177.584 -0.041 0.000 1.177 437 A CA 0.728 52.753 52.037 -0.020 0.000 0.804 437 A CB -1.267 17.729 19.000 -0.006 0.000 0.823 437 A HN 0.247 nan 8.150 nan 0.000 0.482 438 G N -0.615 108.146 108.800 -0.064 0.000 2.137 438 G HA2 -0.268 3.690 3.960 -0.005 0.000 0.237 438 G HA3 -0.268 3.690 3.960 -0.005 0.000 0.237 438 G C 0.004 174.776 174.900 -0.213 0.000 1.002 438 G CA 0.360 45.382 45.100 -0.130 0.000 0.702 438 G HN 0.664 nan 8.290 nan 0.000 0.515 439 N N -1.239 117.369 118.700 -0.153 0.000 2.566 439 N HA 0.776 5.513 4.740 -0.005 0.000 0.299 439 N C -0.395 174.953 175.510 -0.269 0.000 1.277 439 N CA -0.652 52.313 53.050 -0.142 0.000 0.965 439 N CB 0.512 39.013 38.487 0.023 0.000 1.142 439 N HN 0.070 nan 8.380 nan 0.000 0.596 440 F N 0.103 120.081 119.950 0.045 0.000 2.480 440 F HA 0.632 5.156 4.527 -0.004 0.000 0.329 440 F C -0.060 175.751 175.800 0.018 0.000 1.091 440 F CA -0.769 57.257 58.000 0.043 0.000 0.972 440 F CB 1.521 40.545 39.000 0.041 0.000 1.150 440 F HN -0.039 nan 8.300 nan 0.000 0.467 441 V N 1.690 121.705 119.914 0.168 0.000 2.808 441 V HA 0.529 4.646 4.120 -0.005 0.000 0.308 441 V C -0.917 175.184 176.094 0.012 0.000 1.099 441 V CA -0.279 62.036 62.300 0.025 0.000 0.920 441 V CB 2.396 34.128 31.823 -0.153 0.000 1.014 441 V HN 0.775 nan 8.190 nan 0.000 0.425 442 T N 7.785 122.324 114.554 -0.025 0.000 2.744 442 T HA 0.537 4.884 4.350 -0.005 0.000 0.291 442 T C -0.293 174.352 174.700 -0.092 0.000 0.957 442 T CA -0.091 61.984 62.100 -0.043 0.000 1.002 442 T CB 0.520 69.348 68.868 -0.066 0.000 0.919 442 T HN 0.496 nan 8.240 nan 0.000 0.468 443 L N 3.888 125.075 121.223 -0.060 0.000 2.292 443 L HA 0.469 4.806 4.340 -0.005 0.000 0.284 443 L C 0.722 177.529 176.870 -0.104 0.000 1.065 443 L CA -0.609 54.161 54.840 -0.116 0.000 0.806 443 L CB 1.144 43.120 42.059 -0.139 0.000 1.175 443 L HN 0.600 nan 8.230 nan 0.000 0.431 444 E N 1.722 121.849 120.200 -0.122 0.000 2.259 444 E HA 0.270 4.618 4.350 -0.005 0.000 0.257 444 E C -0.416 176.113 176.600 -0.120 0.000 0.998 444 E CA -0.771 55.551 56.400 -0.130 0.000 0.866 444 E CB 0.994 30.613 29.700 -0.136 0.000 1.220 444 E HN 0.483 nan 8.360 nan 0.000 0.415 445 E N -0.394 119.731 120.200 -0.126 0.000 2.586 445 E HA -0.293 4.055 4.350 -0.005 0.000 0.259 445 E C 0.482 177.001 176.600 -0.135 0.000 1.107 445 E CA 0.280 56.611 56.400 -0.114 0.000 0.754 445 E CB -1.729 27.920 29.700 -0.084 0.000 1.335 445 E HN 0.994 nan 8.360 nan 0.000 0.411 446 G N -0.087 108.605 108.800 -0.179 0.000 2.162 446 G HA2 -0.424 3.533 3.960 -0.005 0.000 0.260 446 G HA3 -0.424 3.533 3.960 -0.005 0.000 0.260 446 G C 0.777 175.615 174.900 -0.104 0.000 0.976 446 G CA 0.829 45.823 45.100 -0.177 0.000 0.655 446 G HN 0.377 nan 8.290 nan 0.000 0.533 447 K N 0.265 120.612 120.400 -0.088 0.000 2.280 447 K HA 0.021 4.339 4.320 -0.005 0.000 0.202 447 K C 2.731 179.295 176.600 -0.060 0.000 1.047 447 K CA 0.880 57.128 56.287 -0.066 0.000 0.942 447 K CB -0.398 32.061 32.500 -0.068 0.000 0.739 447 K HN 0.427 nan 8.250 nan 0.000 0.457 448 G N 1.930 110.706 108.800 -0.040 0.000 2.507 448 G HA2 -0.284 3.673 3.960 -0.005 0.000 0.221 448 G HA3 -0.284 3.673 3.960 -0.005 0.000 0.221 448 G C 0.960 175.870 174.900 0.017 0.000 1.119 448 G CA 1.130 46.239 45.100 0.014 0.000 0.751 448 G HN 0.256 nan 8.290 nan 0.000 0.574 449 D N 0.423 120.818 120.400 -0.007 0.000 2.263 449 D HA -0.046 4.591 4.640 -0.005 0.000 0.208 449 D C 2.474 178.770 176.300 -0.008 0.000 0.971 449 D CA 0.318 54.313 54.000 -0.008 0.000 0.867 449 D CB -0.165 40.617 40.800 -0.029 0.000 0.929 449 D HN 0.340 nan 8.370 nan 0.000 0.492 450 L N 0.507 121.721 121.223 -0.016 0.000 2.456 450 L HA -0.083 4.254 4.340 -0.005 0.000 0.224 450 L C 0.748 177.610 176.870 -0.012 0.000 1.148 450 L CA 0.598 55.429 54.840 -0.015 0.000 0.825 450 L CB -0.248 41.802 42.059 -0.016 0.000 0.937 450 L HN -0.035 nan 8.230 nan 0.000 0.450 451 E N -0.956 119.241 120.200 -0.005 0.000 3.673 451 E HA -0.284 4.063 4.350 -0.005 0.000 0.309 451 E C 0.942 177.532 176.600 -0.017 0.000 0.819 451 E CA 1.269 57.671 56.400 0.004 0.000 1.111 451 E CB -1.316 28.386 29.700 0.003 0.000 1.561 451 E HN 0.685 nan 8.360 nan 0.000 0.450 452 E N -0.852 119.328 120.200 -0.034 0.000 2.418 452 E HA -0.095 4.253 4.350 -0.005 0.000 0.197 452 E C 0.771 177.239 176.600 -0.220 0.000 1.026 452 E CA 0.741 57.073 56.400 -0.113 0.000 0.862 452 E CB -0.026 29.599 29.700 -0.124 0.000 0.799 452 E HN 0.373 nan 8.360 nan 0.000 0.518 453 Y N -0.098 120.100 120.300 -0.170 0.000 2.715 453 Y HA 0.262 4.810 4.550 -0.004 0.000 0.255 453 Y C 0.977 176.862 175.900 -0.025 0.000 1.139 453 Y CA -0.028 57.975 58.100 -0.162 0.000 1.151 453 Y CB 1.054 39.289 38.460 -0.375 0.000 1.201 453 Y HN 0.079 nan 8.280 nan 0.000 0.556 454 G N 0.814 109.681 108.800 0.113 0.000 2.552 454 G HA2 -0.333 3.625 3.960 -0.005 0.000 0.265 454 G HA3 -0.333 3.625 3.960 -0.005 0.000 0.265 454 G C -0.405 174.644 174.900 0.248 0.000 1.234 454 G CA -0.435 44.754 45.100 0.147 0.000 0.944 454 G HN 0.243 nan 8.290 nan 0.000 0.568 455 Q N 0.256 120.181 119.800 0.207 0.000 2.230 455 Q HA 0.511 4.848 4.340 -0.005 0.000 0.253 455 Q C -0.001 176.017 176.000 0.030 0.000 0.919 455 Q CA -0.249 55.639 55.803 0.141 0.000 0.908 455 Q CB 1.250 30.027 28.738 0.065 0.000 1.245 455 Q HN 0.667 nan 8.270 nan 0.000 0.437 456 D N 1.887 122.237 120.400 -0.083 0.000 2.533 456 D HA -0.092 4.546 4.640 -0.005 0.000 0.236 456 D C 0.256 176.395 176.300 -0.267 0.000 1.137 456 D CA 0.665 54.460 54.000 -0.341 0.000 0.867 456 D CB 0.740 41.436 40.800 -0.173 0.000 1.170 456 D HN 0.600 nan 8.370 nan 0.000 0.474 457 L N 3.170 124.224 121.223 -0.282 0.000 2.509 457 L HA 0.092 4.429 4.340 -0.005 0.000 0.222 457 L C 0.772 177.442 176.870 -0.334 0.000 1.123 457 L CA -0.054 54.657 54.840 -0.214 0.000 0.856 457 L CB -0.343 41.710 42.059 -0.010 0.000 0.985 457 L HN 0.269 nan 8.230 nan 0.000 0.456 458 L N -0.353 120.706 121.223 -0.272 0.000 2.417 458 L HA 0.173 4.510 4.340 -0.005 0.000 0.268 458 L C -0.383 176.318 176.870 -0.283 0.000 1.158 458 L CA -0.154 54.561 54.840 -0.208 0.000 0.819 458 L CB 0.282 42.285 42.059 -0.093 0.000 1.112 458 L HN 0.087 nan 8.230 nan 0.000 0.458 459 H N -0.426 118.654 119.070 0.016 0.000 2.569 459 H HA 0.259 4.812 4.556 -0.005 0.000 0.357 459 H C -0.390 174.975 175.328 0.063 0.000 1.153 459 H CA -0.661 55.413 56.048 0.044 0.000 1.193 459 H CB 1.615 31.418 29.762 0.068 0.000 1.602 459 H HN 0.487 nan 8.280 nan 0.000 0.523 460 T N 2.515 117.180 114.554 0.184 0.000 2.793 460 T HA 0.046 4.393 4.350 -0.005 0.000 0.289 460 T C 1.434 176.217 174.700 0.139 0.000 0.956 460 T CA 0.030 62.214 62.100 0.140 0.000 1.177 460 T CB 0.076 69.004 68.868 0.099 0.000 0.897 460 T HN 0.562 nan 8.240 nan 0.000 0.533 461 V N 1.454 121.463 119.914 0.159 0.000 3.621 461 V HA 0.535 4.653 4.120 -0.005 0.000 0.263 461 V C 0.077 176.284 176.094 0.188 0.000 1.272 461 V CA 0.003 62.391 62.300 0.148 0.000 1.080 461 V CB -0.412 31.515 31.823 0.173 0.000 0.816 461 V HN 0.652 nan 8.190 nan 0.000 0.451 462 F N 0.945 120.906 119.950 0.020 0.000 2.596 462 F HA 0.754 5.278 4.527 -0.004 0.000 0.311 462 F C -0.814 174.993 175.800 0.011 0.000 1.116 462 F CA -0.820 57.184 58.000 0.006 0.000 0.957 462 F CB 1.792 40.791 39.000 -0.002 0.000 1.250 462 F HN -0.055 nan 8.300 nan 0.000 0.444 463 K N 4.725 124.906 120.400 -0.365 0.000 2.565 463 K HA 0.305 4.622 4.320 -0.005 0.000 0.251 463 K C -0.891 175.451 176.600 -0.429 0.000 0.956 463 K CA -0.624 55.532 56.287 -0.217 0.000 0.809 463 K CB 1.250 33.699 32.500 -0.086 0.000 1.267 463 K HN 0.877 nan 8.250 nan 0.000 0.438 464 N N 2.739 121.261 118.700 -0.297 0.000 2.714 464 N HA -0.271 4.467 4.740 -0.005 0.000 0.252 464 N C 0.418 175.761 175.510 -0.278 0.000 1.014 464 N CA 0.773 53.667 53.050 -0.259 0.000 0.735 464 N CB -0.786 37.566 38.487 -0.225 0.000 0.924 464 N HN 1.054 nan 8.380 nan 0.000 0.540 465 G N -1.171 107.305 108.800 -0.540 0.000 2.175 465 G HA2 -0.332 3.626 3.960 -0.005 0.000 0.244 465 G HA3 -0.332 3.626 3.960 -0.005 0.000 0.244 465 G C -0.102 174.563 174.900 -0.392 0.000 0.982 465 G CA 0.591 45.527 45.100 -0.273 0.000 0.641 465 G HN 0.449 nan 8.290 nan 0.000 0.527 466 K N 0.174 120.182 120.400 -0.654 0.000 2.259 466 K HA 0.631 4.948 4.320 -0.005 0.000 0.252 466 K C -0.189 176.173 176.600 -0.397 0.000 0.936 466 K CA -0.926 55.142 56.287 -0.364 0.000 0.810 466 K CB 3.023 35.400 32.500 -0.205 0.000 1.143 466 K HN 0.002 nan 8.250 nan 0.000 0.427 467 V N 2.698 122.532 119.914 -0.133 0.000 2.455 467 V HA 0.013 4.130 4.120 -0.005 0.000 0.273 467 V C 1.217 177.279 176.094 -0.055 0.000 1.045 467 V CA 0.201 62.491 62.300 -0.016 0.000 0.976 467 V CB 0.798 32.641 31.823 0.033 0.000 0.993 467 V HN 1.030 nan 8.190 nan 0.000 0.475 468 T N 1.272 115.804 114.554 -0.036 0.000 3.001 468 T HA 0.290 4.637 4.350 -0.005 0.000 0.251 468 T C 0.318 174.982 174.700 -0.060 0.000 1.040 468 T CA -0.165 61.905 62.100 -0.049 0.000 0.985 468 T CB 0.238 69.087 68.868 -0.033 0.000 1.011 468 T HN 0.494 nan 8.240 nan 0.000 0.509 469 K N 0.111 120.469 120.400 -0.071 0.000 2.572 469 K HA 0.603 4.920 4.320 -0.005 0.000 0.263 469 K C -1.885 174.576 176.600 -0.232 0.000 0.932 469 K CA -0.399 55.785 56.287 -0.173 0.000 0.838 469 K CB 2.175 34.575 32.500 -0.166 0.000 1.366 469 K HN 0.022 nan 8.250 nan 0.000 0.425 470 S N 1.361 116.799 115.700 -0.436 0.000 2.556 470 S HA 0.603 5.070 4.470 -0.005 0.000 0.271 470 S C -1.924 172.306 174.600 -0.617 0.000 1.135 470 S CA -0.618 57.376 58.200 -0.343 0.000 0.858 470 S CB 0.785 63.889 63.200 -0.160 0.000 1.114 470 S HN 0.442 nan 8.310 nan 0.000 0.468 471 Y N 0.966 121.344 120.300 0.130 0.000 2.477 471 Y HA 0.517 5.064 4.550 -0.005 0.000 0.347 471 Y C 0.650 176.699 175.900 0.249 0.000 0.981 471 Y CA -0.902 57.297 58.100 0.166 0.000 1.033 471 Y CB 1.625 40.196 38.460 0.184 0.000 1.245 471 Y HN 0.691 nan 8.280 nan 0.000 0.455 472 S N 1.181 117.075 115.700 0.324 0.000 2.614 472 S HA 0.142 4.609 4.470 -0.005 0.000 0.265 472 S C 0.657 175.480 174.600 0.372 0.000 1.303 472 S CA -0.480 57.913 58.200 0.322 0.000 1.000 472 S CB 0.499 63.823 63.200 0.206 0.000 0.935 472 S HN 0.664 nan 8.310 nan 0.000 0.551 473 F N 1.251 121.329 119.950 0.212 0.000 2.216 473 F HA -0.069 4.455 4.527 -0.005 0.000 0.300 473 F C 1.763 177.566 175.800 0.005 0.000 1.085 473 F CA 1.647 59.679 58.000 0.053 0.000 1.326 473 F CB -0.387 38.626 39.000 0.022 0.000 1.027 473 F HN 0.635 nan 8.300 nan 0.000 0.497 474 D N 0.049 120.519 120.400 0.117 0.000 2.144 474 D HA -0.165 4.472 4.640 -0.005 0.000 0.200 474 D C 2.025 178.311 176.300 -0.024 0.000 0.978 474 D CA 1.439 55.451 54.000 0.020 0.000 0.833 474 D CB -0.393 40.447 40.800 0.067 0.000 0.961 474 D HN 0.471 nan 8.370 nan 0.000 0.470 475 E N 0.560 120.789 120.200 0.047 0.000 2.106 475 E HA -0.082 4.266 4.350 -0.005 0.000 0.192 475 E C 2.391 178.985 176.600 -0.011 0.000 0.984 475 E CA 0.374 56.816 56.400 0.071 0.000 0.806 475 E CB -0.020 29.802 29.700 0.203 0.000 0.750 475 E HN 0.293 nan 8.360 nan 0.000 0.458 476 I N 1.025 121.542 120.570 -0.088 0.000 2.163 476 I HA -0.298 3.869 4.170 -0.005 0.000 0.243 476 I C 2.568 178.477 176.117 -0.346 0.000 1.085 476 I CA 1.272 62.430 61.300 -0.236 0.000 1.347 476 I CB -0.246 37.526 38.000 -0.380 0.000 1.044 476 I HN 0.040 nan 8.210 nan 0.000 0.408 477 R N 0.770 120.999 120.500 -0.452 0.000 2.073 477 R HA -0.205 4.133 4.340 -0.005 0.000 0.234 477 R C 2.368 178.524 176.300 -0.240 0.000 1.134 477 R CA 1.594 57.448 56.100 -0.410 0.000 0.952 477 R CB -0.325 29.741 30.300 -0.390 0.000 0.850 477 R HN 0.324 nan 8.270 nan 0.000 0.433 478 K N 0.735 121.040 120.400 -0.159 0.000 2.057 478 K HA -0.150 4.167 4.320 -0.005 0.000 0.207 478 K C 1.587 178.131 176.600 -0.092 0.000 1.049 478 K CA 1.707 57.934 56.287 -0.100 0.000 0.931 478 K CB -0.052 32.420 32.500 -0.048 0.000 0.714 478 K HN 0.050 nan 8.250 nan 0.000 0.440 479 N N 0.701 119.359 118.700 -0.070 0.000 2.205 479 N HA -0.138 4.599 4.740 -0.005 0.000 0.186 479 N C 1.311 176.755 175.510 -0.109 0.000 1.015 479 N CA 1.445 54.459 53.050 -0.060 0.000 0.862 479 N CB -0.217 38.318 38.487 0.081 0.000 0.986 479 N HN 0.387 nan 8.380 nan 0.000 0.429 480 A N 0.382 123.119 122.820 -0.139 0.000 2.275 480 A HA 0.086 4.404 4.320 -0.005 0.000 0.212 480 A C 0.772 178.262 177.584 -0.156 0.000 1.201 480 A CA -0.206 51.742 52.037 -0.148 0.000 0.843 480 A CB -0.078 18.797 19.000 -0.207 0.000 0.873 480 A HN 0.242 nan 8.150 nan 0.000 0.492 481 Q N -0.013 119.697 119.800 -0.150 0.000 2.414 481 Q HA 0.216 4.553 4.340 -0.005 0.000 0.288 481 Q C -0.343 175.587 176.000 -0.117 0.000 1.086 481 Q CA 0.239 55.956 55.803 -0.142 0.000 0.943 481 Q CB 0.473 29.140 28.738 -0.118 0.000 1.282 481 Q HN 0.519 nan 8.270 nan 0.000 0.438 482 L N 1.801 122.954 121.223 -0.116 0.000 2.466 482 L HA 0.009 4.346 4.340 -0.005 0.000 0.257 482 L C 1.407 178.236 176.870 -0.069 0.000 1.189 482 L CA -0.677 54.111 54.840 -0.087 0.000 0.813 482 L CB 0.212 42.218 42.059 -0.087 0.000 1.118 482 L HN 0.685 nan 8.230 nan 0.000 0.471 483 N N 1.002 119.671 118.700 -0.052 0.000 2.104 483 N HA -0.115 4.622 4.740 -0.005 0.000 0.190 483 N C 0.745 176.229 175.510 -0.043 0.000 1.024 483 N CA 0.900 53.924 53.050 -0.043 0.000 0.853 483 N CB -0.438 38.030 38.487 -0.031 0.000 1.008 483 N HN 0.393 nan 8.380 nan 0.000 0.424 484 I N 0.000 120.544 120.570 -0.043 0.000 2.984 484 I HA 0.000 4.167 4.170 -0.005 0.000 0.288 484 I CA 0.000 61.276 61.300 -0.041 0.000 1.566 484 I CB 0.000 37.977 38.000 -0.038 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494