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 2gvg_1_C 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 GKKFPVTXXX 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 0.000 175.798 175.800 -0.003 0.000 0.967 9 F CA 0.000 58.014 58.000 0.023 0.000 1.383 9 F CB 0.000 39.065 39.000 0.108 0.000 1.145 10 N N 6.253 124.500 118.700 -0.755 0.000 2.569 10 N HA 0.214 4.953 4.740 -0.001 0.000 0.254 10 N C 0.546 175.588 175.510 -0.780 0.000 1.004 10 N CA -0.399 52.310 53.050 -0.569 0.000 0.904 10 N CB 1.098 39.362 38.487 -0.372 0.000 1.165 10 N HN 0.809 nan 8.380 nan 0.000 0.513 11 I N 3.561 123.789 120.570 -0.570 0.000 2.399 11 I HA -0.205 3.965 4.170 -0.001 0.000 0.254 11 I C 1.265 177.347 176.117 -0.059 0.000 1.146 11 I CA 1.297 62.455 61.300 -0.238 0.000 1.412 11 I CB 0.141 38.208 38.000 0.112 0.000 1.076 11 I HN 0.573 nan 8.210 nan 0.000 0.432 12 L N -0.539 120.524 121.223 -0.266 0.000 2.465 12 L HA -0.034 4.305 4.340 -0.001 0.000 0.224 12 L C 1.701 178.694 176.870 0.205 0.000 1.145 12 L CA 1.217 55.952 54.840 -0.175 0.000 0.834 12 L CB -0.452 41.265 42.059 -0.570 0.000 0.944 12 L HN 0.223 nan 8.230 nan 0.000 0.451 13 L N -1.207 119.976 121.223 -0.067 0.000 2.959 13 L HA 0.343 4.683 4.340 -0.001 0.000 0.259 13 L C 0.927 177.730 176.870 -0.113 0.000 1.185 13 L CA -0.147 54.635 54.840 -0.096 0.000 0.998 13 L CB 0.160 42.043 42.059 -0.294 0.000 1.337 13 L HN 0.080 nan 8.230 nan 0.000 0.555 14 A N -0.128 122.640 122.820 -0.086 0.000 3.213 14 A HA 0.546 4.865 4.320 -0.001 0.000 0.308 14 A C 0.111 177.701 177.584 0.010 0.000 1.177 14 A CA -0.023 51.973 52.037 -0.069 0.000 1.010 14 A CB 0.141 19.079 19.000 -0.103 0.000 1.092 14 A HN 0.127 nan 8.150 nan 0.000 0.583 15 T N -0.898 113.622 114.554 -0.057 0.000 2.816 15 T HA 0.320 4.669 4.350 -0.001 0.000 0.299 15 T C -1.515 173.117 174.700 -0.113 0.000 1.230 15 T CA -0.597 61.392 62.100 -0.185 0.000 1.007 15 T CB 1.148 69.614 68.868 -0.671 0.000 1.289 15 T HN 0.302 nan 8.240 nan 0.000 0.508 16 D N 1.913 122.277 120.400 -0.059 0.000 2.455 16 D HA 0.141 4.780 4.640 -0.001 0.000 0.241 16 D C 1.142 177.495 176.300 0.089 0.000 1.138 16 D CA 0.286 54.339 54.000 0.088 0.000 0.877 16 D CB 1.464 42.452 40.800 0.314 0.000 1.187 16 D HN 0.491 nan 8.370 nan 0.000 0.451 17 S N 1.832 117.623 115.700 0.152 0.000 2.380 17 S HA -0.260 4.209 4.470 -0.001 0.000 0.229 17 S C 1.849 176.632 174.600 0.306 0.000 1.043 17 S CA 1.355 59.688 58.200 0.223 0.000 1.038 17 S CB -0.471 62.839 63.200 0.183 0.000 0.872 17 S HN 0.714 nan 8.310 nan 0.000 0.456 18 Y N 1.046 121.336 120.300 -0.015 0.000 2.421 18 Y HA 0.092 4.641 4.550 -0.001 0.000 0.292 18 Y C 1.764 177.310 175.900 -0.589 0.000 1.136 18 Y CA 0.627 58.666 58.100 -0.103 0.000 1.255 18 Y CB -0.377 38.072 38.460 -0.018 0.000 0.991 18 Y HN 0.079 nan 8.280 nan 0.000 0.552 19 K N 0.736 120.693 120.400 -0.737 0.000 2.442 19 K HA -0.036 4.283 4.320 -0.001 0.000 0.198 19 K C 1.673 177.960 176.600 -0.521 0.000 1.042 19 K CA 0.956 56.624 56.287 -1.032 0.000 0.958 19 K CB 0.034 32.198 32.500 -0.561 0.000 0.766 19 K HN 0.286 nan 8.250 nan 0.000 0.474 20 V N 1.146 120.825 119.914 -0.393 0.000 2.970 20 V HA -0.137 3.982 4.120 -0.001 0.000 0.260 20 V C 2.048 178.140 176.094 -0.003 0.000 1.100 20 V CA 2.019 64.234 62.300 -0.141 0.000 1.122 20 V CB -0.377 31.235 31.823 -0.352 0.000 0.721 20 V HN 0.484 nan 8.190 nan 0.000 0.483 21 T N -4.489 109.949 114.554 -0.193 0.000 3.054 21 T HA 0.060 4.409 4.350 -0.001 0.000 0.255 21 T C 1.484 176.122 174.700 -0.104 0.000 1.035 21 T CA -0.073 61.899 62.100 -0.214 0.000 0.941 21 T CB -0.202 68.525 68.868 -0.235 0.000 1.026 21 T HN 0.398 nan 8.240 nan 0.000 0.533 22 H N 1.363 120.422 119.070 -0.018 0.000 2.423 22 H HA 0.020 4.576 4.556 -0.001 0.000 0.297 22 H C 1.839 177.279 175.328 0.188 0.000 1.075 22 H CA 1.208 57.264 56.048 0.014 0.000 1.342 22 H CB -0.798 29.019 29.762 0.091 0.000 1.395 22 H HN 0.804 nan 8.280 nan 0.000 0.530 23 Y N 0.866 121.364 120.300 0.331 0.000 2.465 23 Y HA -0.055 4.494 4.550 -0.001 0.000 0.289 23 Y C 1.476 177.551 175.900 0.291 0.000 1.150 23 Y CA 0.807 59.099 58.100 0.321 0.000 1.293 23 Y CB -0.217 38.169 38.460 -0.124 0.000 0.977 23 Y HN -0.052 nan 8.280 nan 0.000 0.556 24 K N 0.147 120.279 120.400 -0.447 0.000 2.374 24 K HA 0.112 4.431 4.320 -0.001 0.000 0.196 24 K C 1.090 177.618 176.600 -0.119 0.000 1.023 24 K CA 0.249 56.337 56.287 -0.330 0.000 1.103 24 K CB 0.223 32.389 32.500 -0.557 0.000 0.848 24 K HN 0.537 nan 8.250 nan 0.000 0.528 25 Q N -0.808 118.958 119.800 -0.056 0.000 2.350 25 Q HA 0.108 4.447 4.340 -0.001 0.000 0.225 25 Q C -0.230 175.705 176.000 -0.107 0.000 0.878 25 Q CA -0.076 55.663 55.803 -0.107 0.000 0.935 25 Q CB 0.360 28.990 28.738 -0.180 0.000 1.099 25 Q HN 0.197 nan 8.270 nan 0.000 0.527 26 Y N 2.202 122.536 120.300 0.056 0.000 2.426 26 Y HA 0.052 4.601 4.550 -0.002 0.000 0.344 26 Y C -1.787 174.097 175.900 -0.026 0.000 1.256 26 Y CA -1.746 56.384 58.100 0.050 0.000 1.451 26 Y CB -0.002 38.563 38.460 0.174 0.000 1.342 26 Y HN 0.000 nan 8.280 nan 0.000 0.600 27 P HA 0.055 nan 4.420 nan 0.000 0.268 27 P C -2.530 174.755 177.300 -0.025 0.000 1.204 27 P CA -0.828 62.286 63.100 0.023 0.000 0.768 27 P CB 0.187 31.893 31.700 0.011 0.000 0.842 28 P HA 0.008 nan 4.420 nan 0.000 0.270 28 P C -0.072 177.165 177.300 -0.105 0.000 1.223 28 P CA 0.356 63.412 63.100 -0.073 0.000 0.785 28 P CB 0.188 31.860 31.700 -0.046 0.000 0.923 29 N N -2.296 116.324 118.700 -0.134 0.000 2.776 29 N HA -0.123 4.616 4.740 -0.001 0.000 0.250 29 N C -0.753 174.653 175.510 -0.173 0.000 1.112 29 N CA 1.031 54.003 53.050 -0.130 0.000 0.733 29 N CB -2.457 35.980 38.487 -0.083 0.000 1.097 29 N HN 0.358 nan 8.380 nan 0.000 0.558 30 T N 0.238 114.620 114.554 -0.286 0.000 2.749 30 T HA 0.349 4.698 4.350 -0.001 0.000 0.295 30 T C 1.437 175.932 174.700 -0.342 0.000 0.936 30 T CA 0.160 62.069 62.100 -0.318 0.000 1.060 30 T CB 1.230 69.866 68.868 -0.386 0.000 0.904 30 T HN 0.334 nan 8.240 nan 0.000 0.500 31 S N 2.781 118.382 115.700 -0.166 0.000 2.497 31 S HA 0.272 4.741 4.470 -0.001 0.000 0.218 31 S C 0.493 175.093 174.600 0.000 0.000 1.023 31 S CA -0.245 57.916 58.200 -0.066 0.000 0.913 31 S CB 0.311 63.484 63.200 -0.044 0.000 0.800 31 S HN 0.568 nan 8.310 nan 0.000 0.505 32 K N 0.364 120.743 120.400 -0.034 0.000 2.502 32 K HA 0.648 4.967 4.320 -0.001 0.000 0.257 32 K C -2.209 174.383 176.600 -0.012 0.000 0.938 32 K CA -0.701 55.588 56.287 0.003 0.000 0.819 32 K CB 2.504 35.009 32.500 0.009 0.000 1.333 32 K HN 0.030 nan 8.250 nan 0.000 0.434 33 V N 3.887 123.829 119.914 0.047 0.000 2.482 33 V HA 0.311 4.430 4.120 -0.001 0.000 0.295 33 V C -1.542 174.673 176.094 0.201 0.000 1.026 33 V CA -0.800 61.547 62.300 0.077 0.000 0.856 33 V CB 1.270 33.096 31.823 0.005 0.000 1.001 33 V HN 0.737 nan 8.190 nan 0.000 0.424 34 Y N 3.734 124.100 120.300 0.110 0.000 2.328 34 Y HA 0.717 5.266 4.550 -0.001 0.000 0.337 34 Y C 0.214 176.204 175.900 0.149 0.000 0.966 34 Y CA 0.053 58.255 58.100 0.169 0.000 1.136 34 Y CB 1.706 40.336 38.460 0.284 0.000 1.170 34 Y HN 0.643 nan 8.280 nan 0.000 0.470 35 S N 5.464 121.076 115.700 -0.147 0.000 2.634 35 S HA 0.604 5.074 4.470 -0.001 0.000 0.296 35 S C -1.635 172.701 174.600 -0.439 0.000 1.104 35 S CA -0.694 57.346 58.200 -0.265 0.000 0.920 35 S CB 1.521 64.451 63.200 -0.450 0.000 1.111 35 S HN 0.682 nan 8.310 nan 0.000 0.493 36 Y N -0.391 119.509 120.300 -0.667 0.000 2.609 36 Y HA 0.836 5.385 4.550 -0.001 0.000 0.342 36 Y C -1.567 173.989 175.900 -0.574 0.000 1.058 36 Y CA -1.536 56.242 58.100 -0.536 0.000 1.055 36 Y CB 0.969 39.251 38.460 -0.296 0.000 1.292 36 Y HN 0.570 nan 8.280 nan 0.000 0.476 37 F N 2.276 121.702 119.950 -0.873 0.000 2.508 37 F HA 0.683 5.209 4.527 -0.001 0.000 0.325 37 F C -0.951 174.546 175.800 -0.506 0.000 1.090 37 F CA -0.365 57.135 58.000 -0.834 0.000 0.945 37 F CB 1.686 39.871 39.000 -1.358 0.000 1.156 37 F HN 0.826 nan 8.300 nan 0.000 0.463 38 E N 2.715 122.354 120.200 -0.935 0.000 2.423 38 E HA 0.412 4.761 4.350 -0.001 0.000 0.280 38 E C -1.970 174.298 176.600 -0.552 0.000 1.030 38 E CA -1.118 55.010 56.400 -0.453 0.000 0.812 38 E CB 1.236 30.859 29.700 -0.127 0.000 1.313 38 E HN 0.500 nan 8.360 nan 0.000 0.456 39 C N 2.210 121.385 119.300 -0.210 0.000 2.185 39 C HA 0.413 4.872 4.460 -0.001 0.000 0.357 39 C C 0.515 175.459 174.990 -0.077 0.000 1.053 39 C CA -0.493 58.450 59.018 -0.125 0.000 1.552 39 C CB -1.628 26.125 27.740 0.022 0.000 1.679 39 C HN 0.551 nan 8.230 nan 0.000 0.453 40 R N 1.845 122.278 120.500 -0.113 0.000 2.503 40 R HA -0.084 4.255 4.340 -0.001 0.000 0.271 40 R C 0.742 177.032 176.300 -0.017 0.000 0.960 40 R CA 0.905 56.971 56.100 -0.057 0.000 1.104 40 R CB 0.537 30.797 30.300 -0.067 0.000 0.879 40 R HN 0.737 nan 8.270 nan 0.000 0.420 55 E N 0.722 120.994 120.200 0.120 0.000 2.364 55 E HA 0.342 4.691 4.350 -0.001 0.000 0.270 55 E C -0.405 176.245 176.600 0.083 0.000 1.398 55 E CA -0.119 56.337 56.400 0.092 0.000 1.721 55 E CB 0.894 30.629 29.700 0.058 0.000 1.525 55 E HN 0.493 nan 8.360 nan 0.000 0.446 56 E N 1.003 121.265 120.200 0.104 0.000 3.664 56 E HA 0.034 4.383 4.350 -0.001 0.000 0.378 56 E C -1.552 175.109 176.600 0.102 0.000 1.032 56 E CA -0.212 56.234 56.400 0.077 0.000 0.817 56 E CB 1.147 30.881 29.700 0.057 0.000 1.281 56 E HN 0.376 nan 8.360 nan 0.000 0.488 57 T N -0.659 113.946 114.554 0.086 0.000 2.912 57 T HA 0.647 4.996 4.350 -0.001 0.000 0.288 57 T C -0.325 174.441 174.700 0.110 0.000 1.030 57 T CA -0.727 61.443 62.100 0.116 0.000 1.020 57 T CB 1.588 70.546 68.868 0.149 0.000 1.056 57 T HN 0.097 nan 8.240 nan 0.000 0.480 58 V N 3.490 123.474 119.914 0.117 0.000 2.364 58 V HA 0.355 4.474 4.120 -0.001 0.000 0.272 58 V C -0.301 175.916 176.094 0.204 0.000 1.036 58 V CA -0.834 61.530 62.300 0.107 0.000 0.880 58 V CB 0.046 31.882 31.823 0.023 0.000 0.991 58 V HN 0.859 nan 8.190 nan 0.000 0.460 59 F N 7.586 127.594 119.950 0.097 0.000 2.471 59 F HA 0.551 5.077 4.527 -0.001 0.000 0.365 59 F C -0.624 175.266 175.800 0.151 0.000 1.095 59 F CA -0.651 57.427 58.000 0.130 0.000 1.174 59 F CB 0.122 39.196 39.000 0.123 0.000 1.105 59 F HN 0.529 nan 8.300 nan 0.000 0.535 60 Y N 4.339 124.296 120.300 -0.573 0.000 2.521 60 Y HA 0.512 5.062 4.550 -0.001 0.000 0.332 60 Y C 0.038 175.662 175.900 -0.460 0.000 1.121 60 Y CA -0.693 57.092 58.100 -0.525 0.000 1.037 60 Y CB 1.803 40.076 38.460 -0.311 0.000 1.330 60 Y HN 0.738 nan 8.280 nan 0.000 0.452 61 G N 3.682 111.735 108.800 -1.245 0.000 2.284 61 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.201 61 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.201 61 G C 0.725 175.357 174.900 -0.448 0.000 0.998 61 G CA 0.132 44.694 45.100 -0.896 0.000 0.651 61 G HN 0.846 nan 8.290 nan 0.000 0.489 62 L N 0.633 121.568 121.223 -0.481 0.000 2.017 62 L HA -0.069 4.270 4.340 -0.001 0.000 0.208 62 L C 2.802 179.539 176.870 -0.221 0.000 1.073 62 L CA 2.746 57.384 54.840 -0.337 0.000 0.745 62 L CB -0.335 41.544 42.059 -0.299 0.000 0.894 62 L HN 0.556 nan 8.230 nan 0.000 0.432 63 Q N -1.146 118.573 119.800 -0.135 0.000 2.197 63 Q HA -0.317 4.022 4.340 -0.001 0.000 0.207 63 Q C 2.077 177.930 176.000 -0.246 0.000 0.984 63 Q CA 2.333 58.064 55.803 -0.120 0.000 0.869 63 Q CB -0.336 28.363 28.738 -0.064 0.000 0.906 63 Q HN 0.613 nan 8.270 nan 0.000 0.426 64 Y N 0.313 120.357 120.300 -0.427 0.000 2.200 64 Y HA -0.164 4.385 4.550 -0.001 0.000 0.290 64 Y C 1.674 177.221 175.900 -0.587 0.000 1.137 64 Y CA 1.676 59.373 58.100 -0.672 0.000 1.163 64 Y CB -0.161 37.943 38.460 -0.594 0.000 0.988 64 Y HN 0.100 nan 8.280 nan 0.000 0.518 65 I N -0.143 120.158 120.570 -0.448 0.000 2.252 65 I HA -0.317 3.852 4.170 -0.001 0.000 0.245 65 I C 2.316 178.217 176.117 -0.360 0.000 1.102 65 I CA 1.271 62.329 61.300 -0.404 0.000 1.385 65 I CB -0.503 37.392 38.000 -0.176 0.000 1.064 65 I HN 0.258 nan 8.210 nan 0.000 0.414 66 L N 0.393 121.444 121.223 -0.287 0.000 1.989 66 L HA -0.241 4.098 4.340 -0.001 0.000 0.211 66 L C 2.391 179.181 176.870 -0.134 0.000 1.071 66 L CA 1.520 56.239 54.840 -0.203 0.000 0.749 66 L CB -0.908 41.105 42.059 -0.077 0.000 0.890 66 L HN 0.344 nan 8.230 nan 0.000 0.431 67 N N 0.194 118.798 118.700 -0.160 0.000 2.142 67 N HA -0.199 4.540 4.740 -0.001 0.000 0.186 67 N C 1.875 177.276 175.510 -0.181 0.000 1.023 67 N CA 1.314 54.309 53.050 -0.091 0.000 0.852 67 N CB -0.026 38.481 38.487 0.034 0.000 0.998 67 N HN 0.343 nan 8.380 nan 0.000 0.424 68 K N -0.473 119.640 120.400 -0.479 0.000 2.186 68 K HA -0.030 4.289 4.320 -0.001 0.000 0.202 68 K C 0.947 177.072 176.600 -0.792 0.000 1.052 68 K CA 0.869 56.713 56.287 -0.739 0.000 0.965 68 K CB 0.219 31.880 32.500 -1.398 0.000 0.746 68 K HN 0.229 nan 8.250 nan 0.000 0.457 69 Y N -1.212 118.864 120.300 -0.373 0.000 2.512 69 Y HA 0.182 4.731 4.550 -0.001 0.000 0.268 69 Y C 1.500 177.362 175.900 -0.063 0.000 1.102 69 Y CA -0.433 57.482 58.100 -0.308 0.000 1.261 69 Y CB 0.708 38.905 38.460 -0.438 0.000 1.250 69 Y HN -0.138 nan 8.280 nan 0.000 0.506 70 L N 0.034 121.272 121.223 0.024 0.000 2.515 70 L HA 0.142 4.481 4.340 -0.001 0.000 0.223 70 L C 0.816 177.787 176.870 0.167 0.000 1.079 70 L CA 0.194 55.030 54.840 -0.007 0.000 0.857 70 L CB 0.256 42.090 42.059 -0.375 0.000 1.050 70 L HN -0.073 nan 8.230 nan 0.000 0.476 71 K N 1.016 121.522 120.400 0.176 0.000 2.295 71 K HA 0.376 4.695 4.320 -0.001 0.000 0.270 71 K C 0.704 177.304 176.600 0.000 0.000 1.011 71 K CA 0.755 57.160 56.287 0.196 0.000 0.953 71 K CB 0.724 33.289 32.500 0.109 0.000 0.956 71 K HN 0.108 nan 8.250 nan 0.000 0.477 72 G N 2.637 111.340 108.800 -0.162 0.000 2.562 72 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.250 72 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.250 72 G C -0.745 173.718 174.900 -0.729 0.000 1.269 72 G CA 0.111 44.944 45.100 -0.444 0.000 0.919 72 G HN 0.709 nan 8.290 nan 0.000 0.574 73 K N 0.781 120.950 120.400 -0.386 0.000 2.127 73 K HA 0.437 4.756 4.320 -0.001 0.000 0.261 73 K C 1.597 178.191 176.600 -0.010 0.000 1.129 73 K CA 0.293 56.511 56.287 -0.115 0.000 0.993 73 K CB 0.115 32.673 32.500 0.097 0.000 1.410 73 K HN 1.095 nan 8.250 nan 0.000 0.380 74 V N 1.035 120.959 119.914 0.017 0.000 3.541 74 V HA 0.127 4.247 4.120 -0.001 0.000 0.267 74 V C 0.349 176.489 176.094 0.076 0.000 1.213 74 V CA -0.108 62.241 62.300 0.081 0.000 1.149 74 V CB 0.217 32.121 31.823 0.136 0.000 0.822 74 V HN 0.189 nan 8.190 nan 0.000 0.462 75 V N 2.041 122.016 119.914 0.103 0.000 2.555 75 V HA 0.770 4.889 4.120 -0.001 0.000 0.302 75 V C 0.114 176.260 176.094 0.087 0.000 1.038 75 V CA 0.495 62.854 62.300 0.098 0.000 0.887 75 V CB 1.449 33.412 31.823 0.233 0.000 0.991 75 V HN 0.686 nan 8.190 nan 0.000 0.434 76 T N 0.601 115.184 114.554 0.048 0.000 2.843 76 T HA 0.489 4.839 4.350 -0.001 0.000 0.302 76 T C 0.441 175.164 174.700 0.038 0.000 1.232 76 T CA -0.779 61.348 62.100 0.046 0.000 1.009 76 T CB 2.138 71.022 68.868 0.028 0.000 1.254 76 T HN 0.275 nan 8.240 nan 0.000 0.504 77 K N 0.561 120.986 120.400 0.041 0.000 2.044 77 K HA -0.108 4.212 4.320 -0.001 0.000 0.210 77 K C 1.930 178.541 176.600 0.019 0.000 1.049 77 K CA 1.936 58.247 56.287 0.040 0.000 0.927 77 K CB -0.563 31.957 32.500 0.035 0.000 0.713 77 K HN 0.710 nan 8.250 nan 0.000 0.443 78 E N 0.371 120.573 120.200 0.003 0.000 2.038 78 E HA -0.164 4.185 4.350 -0.001 0.000 0.195 78 E C 1.862 178.433 176.600 -0.049 0.000 1.000 78 E CA 1.632 58.021 56.400 -0.019 0.000 0.803 78 E CB -0.125 29.563 29.700 -0.020 0.000 0.750 78 E HN 0.264 nan 8.360 nan 0.000 0.448 79 K N 0.137 120.501 120.400 -0.060 0.000 2.152 79 K HA -0.086 4.233 4.320 -0.001 0.000 0.206 79 K C 2.184 178.700 176.600 -0.141 0.000 1.048 79 K CA 1.095 57.310 56.287 -0.120 0.000 0.933 79 K CB -0.220 32.202 32.500 -0.130 0.000 0.721 79 K HN 0.143 nan 8.250 nan 0.000 0.447 80 I N 0.980 121.518 120.570 -0.054 0.000 2.179 80 I HA -0.284 3.885 4.170 -0.001 0.000 0.242 80 I C 2.624 178.750 176.117 0.015 0.000 1.088 80 I CA 1.110 62.432 61.300 0.036 0.000 1.357 80 I CB -0.248 37.838 38.000 0.144 0.000 1.051 80 I HN 0.225 nan 8.210 nan 0.000 0.409 81 Q N 0.566 120.365 119.800 -0.002 0.000 2.050 81 Q HA -0.266 4.073 4.340 -0.001 0.000 0.202 81 Q C 2.031 177.973 176.000 -0.096 0.000 0.980 81 Q CA 1.779 57.572 55.803 -0.015 0.000 0.840 81 Q CB -0.349 28.384 28.738 -0.008 0.000 0.898 81 Q HN 0.559 nan 8.270 nan 0.000 0.424 82 E N 0.115 120.234 120.200 -0.135 0.000 2.049 82 E HA -0.210 4.140 4.350 -0.001 0.000 0.198 82 E C 1.853 178.263 176.600 -0.317 0.000 1.007 82 E CA 1.331 57.615 56.400 -0.193 0.000 0.809 82 E CB -0.080 29.508 29.700 -0.187 0.000 0.749 82 E HN 0.283 nan 8.360 nan 0.000 0.450 83 A N 1.305 123.872 122.820 -0.422 0.000 1.940 83 A HA -0.234 4.085 4.320 -0.001 0.000 0.219 83 A C 2.137 179.243 177.584 -0.796 0.000 1.176 83 A CA 1.859 53.469 52.037 -0.711 0.000 0.631 83 A CB -0.557 17.984 19.000 -0.764 0.000 0.814 83 A HN 0.300 nan 8.150 nan 0.000 0.446 84 K N -0.521 119.553 120.400 -0.543 0.000 2.057 84 K HA -0.178 4.141 4.320 -0.001 0.000 0.206 84 K C 1.296 177.855 176.600 -0.069 0.000 1.050 84 K CA 1.582 57.757 56.287 -0.188 0.000 0.935 84 K CB -0.204 32.369 32.500 0.121 0.000 0.715 84 K HN 0.363 nan 8.250 nan 0.000 0.439 85 D N 0.494 120.829 120.400 -0.110 0.000 2.097 85 D HA -0.150 4.489 4.640 -0.001 0.000 0.195 85 D C 2.039 178.287 176.300 -0.087 0.000 0.989 85 D CA 1.204 55.163 54.000 -0.068 0.000 0.827 85 D CB -0.338 40.413 40.800 -0.080 0.000 0.966 85 D HN 0.048 nan 8.370 nan 0.000 0.456 86 V N 0.523 120.306 119.914 -0.218 0.000 2.255 86 V HA -0.274 3.845 4.120 -0.001 0.000 0.247 86 V C 2.209 178.245 176.094 -0.096 0.000 1.051 86 V CA 1.552 63.697 62.300 -0.258 0.000 1.018 86 V CB -0.893 30.627 31.823 -0.505 0.000 0.641 86 V HN 0.272 nan 8.190 nan 0.000 0.445 87 Y N 0.087 120.418 120.300 0.052 0.000 2.333 87 Y HA -0.260 4.289 4.550 -0.001 0.000 0.290 87 Y C 2.551 178.641 175.900 0.317 0.000 1.144 87 Y CA 1.394 59.667 58.100 0.289 0.000 1.228 87 Y CB -0.198 38.428 38.460 0.277 0.000 0.985 87 Y HN 0.170 nan 8.280 nan 0.000 0.542 88 K N 0.798 121.380 120.400 0.305 0.000 2.097 88 K HA -0.162 4.158 4.320 -0.001 0.000 0.206 88 K C 1.573 178.294 176.600 0.201 0.000 1.049 88 K CA 1.625 58.052 56.287 0.233 0.000 0.933 88 K CB -0.072 32.516 32.500 0.145 0.000 0.717 88 K HN 0.158 nan 8.250 nan 0.000 0.442 89 E N -0.851 119.444 120.200 0.159 0.000 2.086 89 E HA -0.122 4.228 4.350 -0.001 0.000 0.190 89 E C 2.056 178.750 176.600 0.157 0.000 0.975 89 E CA 0.803 57.273 56.400 0.118 0.000 0.813 89 E CB -0.455 29.279 29.700 0.056 0.000 0.768 89 E HN 0.563 nan 8.360 nan 0.000 0.457 90 H N -0.840 118.267 119.070 0.061 0.000 2.319 90 H HA -0.091 4.464 4.556 -0.001 0.000 0.299 90 H C 1.225 176.480 175.328 -0.121 0.000 1.092 90 H CA 1.207 57.229 56.048 -0.044 0.000 1.302 90 H CB 0.075 29.820 29.762 -0.029 0.000 1.373 90 H HN 0.080 nan 8.280 nan 0.000 0.497 91 F N 0.410 120.409 119.950 0.082 0.000 2.765 91 F HA 0.048 4.575 4.527 -0.001 0.000 0.302 91 F C 0.988 176.798 175.800 0.017 0.000 1.111 91 F CA 0.035 58.025 58.000 -0.018 0.000 1.359 91 F CB 0.444 39.459 39.000 0.024 0.000 1.097 91 F HN 0.090 nan 8.300 nan 0.000 0.577 92 Q N 0.663 120.576 119.800 0.188 0.000 2.468 92 Q HA -0.279 4.060 4.340 -0.001 0.000 0.256 92 Q C -0.761 175.321 176.000 0.137 0.000 0.984 92 Q CA 1.550 57.428 55.803 0.126 0.000 1.110 92 Q CB -1.753 27.031 28.738 0.076 0.000 1.527 92 Q HN 0.589 nan 8.270 nan 0.000 0.535 93 D N -1.115 119.399 120.400 0.190 0.000 2.623 93 D HA 0.201 4.840 4.640 -0.001 0.000 0.241 93 D C -1.592 174.801 176.300 0.155 0.000 1.241 93 D CA -0.549 53.537 54.000 0.143 0.000 0.788 93 D CB 1.116 41.986 40.800 0.116 0.000 1.413 93 D HN -0.068 nan 8.370 nan 0.000 0.429 94 D N 2.668 123.136 120.400 0.114 0.000 2.468 94 D HA 0.201 4.840 4.640 -0.001 0.000 0.218 94 D C 0.285 176.641 176.300 0.092 0.000 1.155 94 D CA -0.021 54.057 54.000 0.131 0.000 0.924 94 D CB 0.947 41.816 40.800 0.115 0.000 1.029 94 D HN 0.168 nan 8.370 nan 0.000 0.515 95 V N 4.066 124.017 119.914 0.062 0.000 3.635 95 V HA 0.082 4.201 4.120 -0.001 0.000 0.266 95 V C 0.945 177.112 176.094 0.122 0.000 1.316 95 V CA -0.478 61.813 62.300 -0.015 0.000 1.060 95 V CB -0.441 31.198 31.823 -0.307 0.000 0.820 95 V HN 0.383 nan 8.190 nan 0.000 0.447 96 F N 3.280 123.243 119.950 0.021 0.000 2.593 96 F HA 0.010 4.536 4.527 -0.001 0.000 0.393 96 F C 1.051 176.856 175.800 0.008 0.000 1.037 96 F CA -0.142 57.901 58.000 0.072 0.000 1.195 96 F CB -0.293 38.836 39.000 0.216 0.000 1.034 96 F HN 0.167 nan 8.300 nan 0.000 0.552 97 N N 5.137 123.357 118.700 -0.799 0.000 3.127 97 N HA -0.080 4.660 4.740 -0.001 0.000 0.317 97 N C 1.449 176.258 175.510 -1.169 0.000 1.242 97 N CA 0.127 52.456 53.050 -1.202 0.000 1.203 97 N CB -0.097 37.166 38.487 -2.040 0.000 1.462 97 N HN 0.919 nan 8.380 nan 0.000 0.546 98 E N 1.458 121.095 120.200 -0.939 0.000 2.097 98 E HA -0.256 4.093 4.350 -0.001 0.000 0.196 98 E C 1.217 177.663 176.600 -0.256 0.000 1.000 98 E CA 1.369 57.453 56.400 -0.527 0.000 0.804 98 E CB 0.231 29.881 29.700 -0.083 0.000 0.740 98 E HN 0.485 nan 8.360 nan 0.000 0.454 99 K N -0.379 119.869 120.400 -0.252 0.000 2.147 99 K HA -0.093 4.226 4.320 -0.001 0.000 0.205 99 K C 2.189 178.709 176.600 -0.133 0.000 1.049 99 K CA 0.993 57.198 56.287 -0.136 0.000 0.936 99 K CB -0.231 32.194 32.500 -0.124 0.000 0.722 99 K HN 0.262 nan 8.250 nan 0.000 0.446 100 G N 0.409 108.989 108.800 -0.366 0.000 2.402 100 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 100 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 100 G C 0.996 175.861 174.900 -0.057 0.000 1.162 100 G CA 0.408 45.312 45.100 -0.326 0.000 0.777 100 G HN 0.340 nan 8.290 nan 0.000 0.539 101 W N 0.791 122.009 121.300 -0.138 0.000 2.476 101 W HA 0.142 4.801 4.660 -0.001 0.000 0.281 101 W C 2.491 179.050 176.519 0.065 0.000 1.230 101 W CA 0.196 57.553 57.345 0.019 0.000 1.287 101 W CB 0.052 29.483 29.460 -0.048 0.000 1.108 101 W HN 0.078 nan 8.180 nan 0.000 0.567 102 N N -0.241 118.603 118.700 0.240 0.000 2.166 102 N HA -0.237 4.502 4.740 -0.001 0.000 0.186 102 N C 1.479 177.092 175.510 0.172 0.000 1.019 102 N CA 1.397 54.554 53.050 0.179 0.000 0.856 102 N CB -0.837 37.723 38.487 0.121 0.000 0.993 102 N HN 0.213 nan 8.380 nan 0.000 0.426 103 Y N 2.029 122.376 120.300 0.077 0.000 2.128 103 Y HA -0.124 4.425 4.550 -0.001 0.000 0.284 103 Y C 2.228 178.204 175.900 0.126 0.000 1.154 103 Y CA 1.386 59.531 58.100 0.074 0.000 1.149 103 Y CB -0.498 38.001 38.460 0.065 0.000 0.976 103 Y HN -0.012 nan 8.280 nan 0.000 0.505 104 I N -0.625 120.001 120.570 0.092 0.000 2.226 104 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 104 I C 2.302 178.486 176.117 0.112 0.000 1.100 104 I CA 1.263 62.622 61.300 0.098 0.000 1.374 104 I CB -0.483 37.608 38.000 0.151 0.000 1.057 104 I HN 0.318 nan 8.210 nan 0.000 0.413 105 L N 0.918 122.221 121.223 0.134 0.000 2.056 105 L HA -0.173 4.167 4.340 -0.001 0.000 0.207 105 L C 2.310 179.199 176.870 0.031 0.000 1.078 105 L CA 1.883 56.792 54.840 0.114 0.000 0.749 105 L CB -0.559 41.578 42.059 0.129 0.000 0.901 105 L HN 0.201 nan 8.230 nan 0.000 0.433 106 E N -0.799 119.385 120.200 -0.027 0.000 2.112 106 E HA -0.196 4.153 4.350 -0.001 0.000 0.190 106 E C 1.964 178.449 176.600 -0.193 0.000 0.979 106 E CA 0.862 57.215 56.400 -0.077 0.000 0.814 106 E CB -0.009 29.662 29.700 -0.048 0.000 0.762 106 E HN 0.271 nan 8.360 nan 0.000 0.460 107 K N 0.289 120.467 120.400 -0.370 0.000 2.137 107 K HA -0.050 4.269 4.320 -0.001 0.000 0.202 107 K C 0.614 176.784 176.600 -0.716 0.000 1.052 107 K CA 1.098 56.993 56.287 -0.653 0.000 0.961 107 K CB 0.150 31.948 32.500 -1.169 0.000 0.741 107 K HN 0.103 nan 8.250 nan 0.000 0.452 108 Y N -0.052 120.135 120.300 -0.188 0.000 2.682 108 Y HA 0.233 4.782 4.550 -0.001 0.000 0.251 108 Y C -0.459 175.397 175.900 -0.072 0.000 1.172 108 Y CA -0.403 57.624 58.100 -0.121 0.000 1.186 108 Y CB 0.468 38.882 38.460 -0.076 0.000 1.216 108 Y HN 0.115 nan 8.280 nan 0.000 0.540 109 D N 0.874 121.305 120.400 0.051 0.000 2.723 109 D HA -0.188 4.451 4.640 -0.001 0.000 0.236 109 D C 1.320 177.772 176.300 0.253 0.000 1.138 109 D CA 1.504 55.556 54.000 0.087 0.000 0.676 109 D CB -1.073 39.727 40.800 0.000 0.000 1.069 109 D HN 0.729 nan 8.370 nan 0.000 0.430 110 G N -0.664 108.283 108.800 0.245 0.000 2.184 110 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.264 110 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.264 110 G C 0.165 175.238 174.900 0.289 0.000 0.975 110 G CA 0.435 45.691 45.100 0.259 0.000 0.642 110 G HN 0.692 nan 8.290 nan 0.000 0.536 111 H N -0.184 118.961 119.070 0.125 0.000 2.610 111 H HA 0.564 5.120 4.556 -0.001 0.000 0.336 111 H C 1.029 176.378 175.328 0.036 0.000 1.087 111 H CA -0.528 55.576 56.048 0.093 0.000 1.405 111 H CB 0.752 30.547 29.762 0.055 0.000 1.460 111 H HN 0.235 nan 8.280 nan 0.000 0.538 112 L N 5.684 127.000 121.223 0.155 0.000 2.433 112 L HA 0.179 4.519 4.340 -0.001 0.000 0.275 112 L C -1.823 175.009 176.870 -0.063 0.000 1.128 112 L CA -1.738 53.141 54.840 0.065 0.000 0.875 112 L CB 0.422 42.586 42.059 0.176 0.000 1.171 112 L HN 0.465 nan 8.230 nan 0.000 0.463 113 P HA 0.127 nan 4.420 nan 0.000 0.235 113 P C -0.670 176.513 177.300 -0.196 0.000 1.765 113 P CA 0.478 63.310 63.100 -0.446 0.000 1.034 113 P CB -0.180 31.128 31.700 -0.653 0.000 1.984 114 I N 0.697 121.260 120.570 -0.013 0.000 2.828 114 I HA 0.409 4.579 4.170 -0.001 0.000 0.302 114 I C 0.161 176.405 176.117 0.211 0.000 1.101 114 I CA -1.066 60.294 61.300 0.100 0.000 1.031 114 I CB 2.664 40.751 38.000 0.146 0.000 1.231 114 I HN 0.068 nan 8.210 nan 0.000 0.427 115 E N 5.312 125.625 120.200 0.187 0.000 2.246 115 E HA 0.612 4.962 4.350 -0.001 0.000 0.266 115 E C -1.705 175.028 176.600 0.221 0.000 0.880 115 E CA -0.470 56.053 56.400 0.205 0.000 0.762 115 E CB 1.925 31.704 29.700 0.132 0.000 1.180 115 E HN 0.474 nan 8.360 nan 0.000 0.416 116 I N 4.402 125.130 120.570 0.263 0.000 2.410 116 I HA 0.339 4.509 4.170 -0.001 0.000 0.286 116 I C -0.385 175.854 176.117 0.203 0.000 1.009 116 I CA -0.786 60.642 61.300 0.214 0.000 1.111 116 I CB 1.650 39.738 38.000 0.146 0.000 1.262 116 I HN 0.309 nan 8.210 nan 0.000 0.443 117 K N 4.889 125.406 120.400 0.195 0.000 2.110 117 K HA 0.902 5.222 4.320 -0.001 0.000 0.263 117 K C -0.640 176.085 176.600 0.208 0.000 0.975 117 K CA -0.570 55.825 56.287 0.180 0.000 0.895 117 K CB 2.253 34.838 32.500 0.143 0.000 1.060 117 K HN 0.703 nan 8.250 nan 0.000 0.448 118 A N 1.028 123.965 122.820 0.195 0.000 2.605 118 A HA 0.359 4.679 4.320 -0.001 0.000 0.294 118 A C -1.418 176.230 177.584 0.107 0.000 1.062 118 A CA -0.740 51.395 52.037 0.163 0.000 0.682 118 A CB 1.275 20.422 19.000 0.244 0.000 1.278 118 A HN 0.460 nan 8.150 nan 0.000 0.410 119 V N 2.020 121.886 119.914 -0.080 0.000 2.715 119 V HA 0.400 4.519 4.120 -0.001 0.000 0.299 119 V C -2.180 173.833 176.094 -0.136 0.000 1.054 119 V CA -1.421 60.786 62.300 -0.153 0.000 1.077 119 V CB 0.913 32.600 31.823 -0.228 0.000 0.972 119 V HN 0.766 nan 8.190 nan 0.000 0.484 120 P HA 0.020 nan 4.420 nan 0.000 0.264 120 P C -0.578 176.497 177.300 -0.375 0.000 1.179 120 P CA 0.367 63.048 63.100 -0.698 0.000 0.763 120 P CB 0.240 31.432 31.700 -0.847 0.000 0.806 121 E N 1.655 121.514 120.200 -0.568 0.000 2.384 121 E HA 0.242 4.591 4.350 -0.001 0.000 0.266 121 E C 1.264 177.821 176.600 -0.072 0.000 1.012 121 E CA 0.747 57.046 56.400 -0.167 0.000 0.901 121 E CB 0.113 29.725 29.700 -0.147 0.000 0.967 121 E HN 0.777 nan 8.360 nan 0.000 0.435 122 G N 2.957 111.780 108.800 0.039 0.000 2.232 122 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.226 122 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.226 122 G C 0.034 174.995 174.900 0.102 0.000 0.996 122 G CA -0.501 44.590 45.100 -0.015 0.000 0.626 122 G HN 0.456 nan 8.290 nan 0.000 0.509 123 F N 1.430 121.365 119.950 -0.024 0.000 2.608 123 F HA 0.409 4.935 4.527 -0.001 0.000 0.380 123 F C 1.093 176.867 175.800 -0.043 0.000 1.083 123 F CA 0.054 58.043 58.000 -0.019 0.000 1.266 123 F CB 1.213 40.208 39.000 -0.009 0.000 1.076 123 F HN -0.002 nan 8.300 nan 0.000 0.574 124 V N 6.916 126.766 119.914 -0.106 0.000 2.304 124 V HA 0.219 4.338 4.120 -0.001 0.000 0.262 124 V C 0.120 176.068 176.094 -0.244 0.000 1.061 124 V CA -0.471 61.768 62.300 -0.101 0.000 0.872 124 V CB 0.076 31.846 31.823 -0.089 0.000 1.077 124 V HN 0.323 nan 8.190 nan 0.000 0.480 125 I N 7.560 127.996 120.570 -0.223 0.000 2.404 125 I HA 0.483 4.653 4.170 -0.001 0.000 0.293 125 I C -2.042 173.998 176.117 -0.128 0.000 0.992 125 I CA -2.683 58.381 61.300 -0.393 0.000 1.149 125 I CB 2.030 39.829 38.000 -0.335 0.000 1.315 125 I HN 0.329 nan 8.210 nan 0.000 0.446 126 P HA 0.189 nan 4.420 nan 0.000 0.271 126 P C -0.267 177.055 177.300 0.037 0.000 1.233 126 P CA -0.423 62.699 63.100 0.037 0.000 0.789 126 P CB 0.893 32.650 31.700 0.096 0.000 0.951 127 R N -0.357 120.175 120.500 0.053 0.000 2.615 127 R HA 0.406 4.746 4.340 -0.001 0.000 0.270 127 R C 1.245 177.570 176.300 0.042 0.000 1.081 127 R CA 0.788 56.916 56.100 0.047 0.000 1.154 127 R CB -0.337 29.996 30.300 0.054 0.000 1.063 127 R HN 0.864 nan 8.270 nan 0.000 0.519 128 G N 0.845 109.663 108.800 0.029 0.000 2.141 128 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.242 128 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.242 128 G C -0.471 174.456 174.900 0.044 0.000 0.982 128 G CA 0.020 45.139 45.100 0.032 0.000 0.662 128 G HN 0.628 nan 8.290 nan 0.000 0.527 129 N N -1.043 117.683 118.700 0.044 0.000 2.417 129 N HA 0.545 5.284 4.740 -0.001 0.000 0.300 129 N C -0.018 175.524 175.510 0.052 0.000 1.102 129 N CA -0.344 52.737 53.050 0.051 0.000 0.886 129 N CB 2.639 41.157 38.487 0.052 0.000 1.203 129 N HN 0.282 nan 8.380 nan 0.000 0.496 130 V N 3.348 123.298 119.914 0.060 0.000 2.521 130 V HA 0.097 4.217 4.120 -0.001 0.000 0.286 130 V C 0.477 176.571 176.094 -0.001 0.000 1.034 130 V CA 0.461 62.811 62.300 0.085 0.000 1.045 130 V CB -0.121 31.737 31.823 0.058 0.000 0.974 130 V HN 0.648 nan 8.190 nan 0.000 0.480 131 L N 6.781 127.973 121.223 -0.052 0.000 2.425 131 L HA 0.418 4.757 4.340 -0.001 0.000 0.215 131 L C 0.128 176.880 176.870 -0.196 0.000 1.065 131 L CA 0.292 54.993 54.840 -0.232 0.000 0.842 131 L CB 0.054 41.978 42.059 -0.225 0.000 1.033 131 L HN 0.773 nan 8.230 nan 0.000 0.474 132 F N -1.720 118.190 119.950 -0.066 0.000 2.703 132 F HA 0.600 5.127 4.527 -0.001 0.000 0.308 132 F C -0.780 175.057 175.800 0.062 0.000 1.126 132 F CA -1.180 56.811 58.000 -0.015 0.000 0.959 132 F CB 0.785 39.786 39.000 0.002 0.000 1.297 132 F HN -0.179 nan 8.300 nan 0.000 0.441 133 T N 0.009 114.724 114.554 0.269 0.000 2.924 133 T HA 0.886 5.236 4.350 -0.001 0.000 0.291 133 T C -1.417 173.349 174.700 0.110 0.000 1.045 133 T CA -0.886 61.219 62.100 0.010 0.000 1.015 133 T CB 1.790 70.519 68.868 -0.231 0.000 1.103 133 T HN 0.887 nan 8.240 nan 0.000 0.496 134 V N 1.827 121.720 119.914 -0.035 0.000 2.841 134 V HA 0.796 4.915 4.120 -0.001 0.000 0.310 134 V C -0.838 175.272 176.094 0.026 0.000 1.090 134 V CA -0.919 61.447 62.300 0.110 0.000 0.930 134 V CB 1.709 33.733 31.823 0.335 0.000 1.014 134 V HN 1.223 nan 8.190 nan 0.000 0.425 135 E N 1.915 122.179 120.200 0.106 0.000 2.388 135 E HA 0.411 4.760 4.350 -0.001 0.000 0.280 135 E C -1.325 175.325 176.600 0.084 0.000 1.019 135 E CA -1.126 55.357 56.400 0.139 0.000 0.806 135 E CB 1.667 31.535 29.700 0.279 0.000 1.246 135 E HN 0.768 nan 8.360 nan 0.000 0.443 136 N N -0.509 118.210 118.700 0.031 0.000 2.530 136 N HA 0.179 4.918 4.740 -0.001 0.000 0.277 136 N C 0.517 176.021 175.510 -0.010 0.000 1.168 136 N CA -0.117 52.900 53.050 -0.054 0.000 0.979 136 N CB 1.366 39.768 38.487 -0.142 0.000 1.141 136 N HN 0.632 nan 8.380 nan 0.000 0.459 137 T N -3.811 110.714 114.554 -0.048 0.000 3.069 137 T HA 0.079 4.428 4.350 -0.001 0.000 0.252 137 T C -0.196 174.510 174.700 0.010 0.000 1.053 137 T CA -0.092 62.001 62.100 -0.013 0.000 0.964 137 T CB -0.148 68.697 68.868 -0.038 0.000 1.005 137 T HN 0.619 nan 8.240 nan 0.000 0.532 138 D N 1.488 121.887 120.400 -0.003 0.000 2.788 138 D HA 0.321 4.960 4.640 -0.001 0.000 0.247 138 D C -1.911 174.424 176.300 0.058 0.000 1.236 138 D CA -2.463 51.590 54.000 0.088 0.000 0.898 138 D CB 2.651 43.583 40.800 0.219 0.000 1.401 138 D HN -0.186 nan 8.370 nan 0.000 0.549 139 P HA -0.205 nan 4.420 nan 0.000 0.218 139 P C 0.627 177.997 177.300 0.117 0.000 1.152 139 P CA 1.246 64.386 63.100 0.068 0.000 0.857 139 P CB 0.433 32.158 31.700 0.042 0.000 0.787 140 E N -1.306 118.933 120.200 0.064 0.000 2.478 140 E HA -0.048 4.301 4.350 -0.001 0.000 0.198 140 E C 0.721 177.361 176.600 0.068 0.000 1.046 140 E CA 0.466 56.895 56.400 0.049 0.000 0.870 140 E CB -0.294 29.224 29.700 -0.303 0.000 0.818 140 E HN 0.307 nan 8.360 nan 0.000 0.527 141 C N 1.307 120.536 119.300 -0.120 0.000 2.548 141 C HA 0.148 4.607 4.460 -0.001 0.000 0.297 141 C C 1.573 176.087 174.990 -0.794 0.000 1.422 141 C CA -1.000 57.610 59.018 -0.681 0.000 1.785 141 C CB -1.902 25.494 27.740 -0.572 0.000 2.593 141 C HN 0.542 nan 8.230 nan 0.000 0.545 142 Y N -0.264 119.825 120.300 -0.352 0.000 2.333 142 Y HA -0.142 4.408 4.550 -0.001 0.000 0.290 142 Y C 2.138 177.853 175.900 -0.307 0.000 1.144 142 Y CA 1.272 59.212 58.100 -0.267 0.000 1.228 142 Y CB -0.777 37.578 38.460 -0.175 0.000 0.985 142 Y HN 0.634 nan 8.280 nan 0.000 0.542 143 W N 0.408 121.030 121.300 -1.130 0.000 2.678 143 W HA 0.084 4.743 4.660 -0.001 0.000 0.256 143 W C 1.472 177.870 176.519 -0.202 0.000 1.280 143 W CA 0.032 56.993 57.345 -0.640 0.000 1.345 143 W CB -0.971 28.093 29.460 -0.661 0.000 1.118 143 W HN 0.226 nan 8.180 nan 0.000 0.629 144 L N 1.691 122.273 121.223 -1.069 0.000 2.093 144 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 144 L C 2.477 179.255 176.870 -0.154 0.000 1.085 144 L CA 2.003 56.354 54.840 -0.815 0.000 0.755 144 L CB -0.679 40.706 42.059 -1.124 0.000 0.904 144 L HN -0.090 nan 8.230 nan 0.000 0.435 145 T N 0.071 114.559 114.554 -0.109 0.000 2.624 145 T HA -0.243 4.106 4.350 -0.001 0.000 0.268 145 T C 1.425 176.284 174.700 0.265 0.000 1.041 145 T CA 2.120 64.280 62.100 0.099 0.000 1.159 145 T CB -0.301 68.635 68.868 0.115 0.000 0.863 145 T HN 0.306 nan 8.240 nan 0.000 0.434 146 N N -0.196 118.695 118.700 0.318 0.000 2.398 146 N HA 0.064 4.803 4.740 -0.001 0.000 0.188 146 N C 1.089 176.796 175.510 0.328 0.000 1.122 146 N CA -0.036 53.243 53.050 0.381 0.000 0.866 146 N CB -0.111 38.649 38.487 0.454 0.000 0.970 146 N HN 0.490 nan 8.380 nan 0.000 0.462 147 W N 1.580 123.002 121.300 0.203 0.000 2.388 147 W HA -0.001 4.658 4.660 -0.002 0.000 0.294 147 W C 0.905 177.522 176.519 0.162 0.000 1.212 147 W CA 0.845 58.339 57.345 0.249 0.000 1.271 147 W CB -0.022 29.668 29.460 0.383 0.000 1.126 147 W HN 0.054 nan 8.180 nan 0.000 0.535 148 I N -0.790 120.001 120.570 0.368 0.000 3.810 148 I HA 0.106 4.275 4.170 -0.001 0.000 0.322 148 I C 1.767 177.838 176.117 -0.076 0.000 1.288 148 I CA 0.536 61.952 61.300 0.193 0.000 1.143 148 I CB -0.610 37.489 38.000 0.166 0.000 1.012 148 I HN -0.056 nan 8.210 nan 0.000 0.423 149 E N 2.111 122.175 120.200 -0.228 0.000 2.051 149 E HA -0.197 4.152 4.350 -0.001 0.000 0.192 149 E C 1.727 178.131 176.600 -0.327 0.000 0.991 149 E CA 2.261 58.230 56.400 -0.718 0.000 0.799 149 E CB -0.089 29.241 29.700 -0.617 0.000 0.748 149 E HN 0.531 nan 8.360 nan 0.000 0.449 150 T N 1.530 116.014 114.554 -0.115 0.000 2.665 150 T HA -0.206 4.143 4.350 -0.001 0.000 0.268 150 T C 1.931 176.637 174.700 0.011 0.000 1.035 150 T CA 1.576 63.669 62.100 -0.011 0.000 1.151 150 T CB -0.314 68.554 68.868 0.001 0.000 0.862 150 T HN 0.254 nan 8.240 nan 0.000 0.438 151 I N 0.144 120.710 120.570 -0.007 0.000 2.439 151 I HA -0.007 4.162 4.170 -0.001 0.000 0.251 151 I C 1.937 178.047 176.117 -0.012 0.000 1.139 151 I CA 0.919 62.215 61.300 -0.006 0.000 1.438 151 I CB 0.011 38.012 38.000 0.002 0.000 1.085 151 I HN 0.210 nan 8.210 nan 0.000 0.427 152 L N -0.572 120.625 121.223 -0.044 0.000 2.156 152 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 152 L C 2.358 179.280 176.870 0.086 0.000 1.095 152 L CA 0.511 55.332 54.840 -0.031 0.000 0.770 152 L CB -0.356 41.696 42.059 -0.012 0.000 0.914 152 L HN 0.071 nan 8.230 nan 0.000 0.439 153 V N -0.364 119.635 119.914 0.143 0.000 2.626 153 V HA -0.253 3.866 4.120 -0.001 0.000 0.252 153 V C 2.234 178.600 176.094 0.454 0.000 1.067 153 V CA 1.346 63.873 62.300 0.377 0.000 1.081 153 V CB -0.462 31.576 31.823 0.357 0.000 0.686 153 V HN 0.520 nan 8.190 nan 0.000 0.468 154 Q N 0.378 120.346 119.800 0.281 0.000 2.508 154 Q HA -0.148 4.192 4.340 -0.001 0.000 0.214 154 Q C 2.195 178.165 176.000 -0.050 0.000 0.979 154 Q CA 1.388 57.302 55.803 0.186 0.000 0.911 154 Q CB -0.268 28.518 28.738 0.080 0.000 0.969 154 Q HN 0.826 nan 8.270 nan 0.000 0.504 155 S N 0.315 116.022 115.700 0.012 0.000 2.547 155 S HA -0.123 4.346 4.470 -0.001 0.000 0.235 155 S C 1.508 176.113 174.600 0.009 0.000 0.980 155 S CA 0.284 58.428 58.200 -0.093 0.000 0.941 155 S CB -0.704 62.394 63.200 -0.169 0.000 0.763 155 S HN 0.675 nan 8.310 nan 0.000 0.532 156 W N 0.887 122.316 121.300 0.215 0.000 2.342 156 W HA -0.216 4.444 4.660 -0.001 0.000 0.297 156 W C 1.789 178.441 176.519 0.223 0.000 1.213 156 W CA 0.785 58.322 57.345 0.319 0.000 1.251 156 W CB -1.188 28.473 29.460 0.336 0.000 1.136 156 W HN 0.348 nan 8.180 nan 0.000 0.526 157 Y N 3.596 123.166 120.300 -1.216 0.000 2.070 157 Y HA -0.113 4.437 4.550 -0.001 0.000 0.280 157 Y C -0.313 175.323 175.900 -0.440 0.000 1.148 157 Y CA 2.116 59.460 58.100 -1.260 0.000 1.125 157 Y CB -1.914 35.751 38.460 -1.324 0.000 0.975 157 Y HN -0.192 nan 8.280 nan 0.000 0.492 158 P HA -0.175 nan 4.420 nan 0.000 0.215 158 P C 1.863 179.085 177.300 -0.130 0.000 1.153 158 P CA 2.234 65.133 63.100 -0.335 0.000 0.853 158 P CB -0.135 31.359 31.700 -0.344 0.000 0.788 159 I N -1.255 119.284 120.570 -0.051 0.000 2.208 159 I HA -0.246 3.923 4.170 -0.001 0.000 0.245 159 I C 2.009 178.176 176.117 0.083 0.000 1.097 159 I CA 1.702 63.059 61.300 0.095 0.000 1.363 159 I CB -1.009 37.150 38.000 0.265 0.000 1.051 159 I HN 0.018 nan 8.210 nan 0.000 0.413 160 T N 0.272 114.866 114.554 0.066 0.000 2.770 160 T HA -0.079 4.271 4.350 -0.001 0.000 0.263 160 T C 2.031 176.711 174.700 -0.032 0.000 1.039 160 T CA 1.080 63.218 62.100 0.064 0.000 1.142 160 T CB -0.210 68.807 68.868 0.249 0.000 0.868 160 T HN 0.081 nan 8.240 nan 0.000 0.435 161 V N 2.006 121.816 119.914 -0.174 0.000 2.261 161 V HA -0.184 3.935 4.120 -0.001 0.000 0.246 161 V C 2.945 179.009 176.094 -0.050 0.000 1.047 161 V CA 1.811 64.009 62.300 -0.171 0.000 1.015 161 V CB -1.305 30.285 31.823 -0.387 0.000 0.642 161 V HN 0.521 nan 8.190 nan 0.000 0.446 162 A N -0.218 122.569 122.820 -0.055 0.000 1.908 162 A HA -0.250 4.070 4.320 -0.001 0.000 0.218 162 A C 2.394 179.986 177.584 0.013 0.000 1.181 162 A CA 2.676 54.692 52.037 -0.035 0.000 0.627 162 A CB -1.019 17.945 19.000 -0.061 0.000 0.818 162 A HN 0.529 nan 8.150 nan 0.000 0.445 163 T N -0.084 114.497 114.554 0.045 0.000 2.737 163 T HA -0.135 4.214 4.350 -0.001 0.000 0.265 163 T C 1.958 176.758 174.700 0.167 0.000 1.038 163 T CA 1.577 63.735 62.100 0.097 0.000 1.144 163 T CB -0.428 68.504 68.868 0.107 0.000 0.866 163 T HN 0.651 nan 8.240 nan 0.000 0.434 164 N N 0.881 119.674 118.700 0.154 0.000 2.120 164 N HA -0.090 4.649 4.740 -0.001 0.000 0.188 164 N C 2.011 177.637 175.510 0.194 0.000 1.024 164 N CA 1.561 54.758 53.050 0.244 0.000 0.852 164 N CB -0.433 38.141 38.487 0.144 0.000 1.003 164 N HN 0.215 nan 8.380 nan 0.000 0.424 165 S N -0.285 115.515 115.700 0.166 0.000 2.382 165 S HA -0.094 4.375 4.470 -0.001 0.000 0.228 165 S C 1.984 176.748 174.600 0.273 0.000 1.027 165 S CA 1.041 59.394 58.200 0.255 0.000 0.991 165 S CB -0.304 63.091 63.200 0.325 0.000 0.823 165 S HN 0.428 nan 8.310 nan 0.000 0.469 166 R N 0.230 120.810 120.500 0.133 0.000 2.115 166 R HA 0.035 4.375 4.340 -0.001 0.000 0.226 166 R C 2.017 178.354 176.300 0.062 0.000 1.100 166 R CA 1.206 57.331 56.100 0.042 0.000 0.980 166 R CB -0.106 30.185 30.300 -0.016 0.000 0.875 166 R HN 0.308 nan 8.270 nan 0.000 0.445 167 E N 0.792 121.052 120.200 0.101 0.000 2.106 167 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 167 E C 1.913 178.543 176.600 0.049 0.000 0.984 167 E CA 1.140 57.574 56.400 0.056 0.000 0.806 167 E CB -0.027 29.697 29.700 0.039 0.000 0.750 167 E HN 0.518 nan 8.360 nan 0.000 0.458 168 Q N 0.378 120.234 119.800 0.093 0.000 2.224 168 Q HA -0.111 4.229 4.340 -0.001 0.000 0.203 168 Q C 2.134 178.220 176.000 0.144 0.000 0.970 168 Q CA 1.007 56.851 55.803 0.069 0.000 0.865 168 Q CB -0.064 28.705 28.738 0.051 0.000 0.922 168 Q HN 0.103 nan 8.270 nan 0.000 0.445 169 K N 1.342 121.885 120.400 0.237 0.000 2.097 169 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 169 K C 1.736 178.379 176.600 0.072 0.000 1.050 169 K CA 1.006 57.423 56.287 0.216 0.000 0.938 169 K CB 0.188 32.625 32.500 -0.105 0.000 0.718 169 K HN 0.010 nan 8.250 nan 0.000 0.442 170 K N 0.530 120.951 120.400 0.036 0.000 2.057 170 K HA -0.119 4.201 4.320 -0.001 0.000 0.207 170 K C 2.098 178.731 176.600 0.055 0.000 1.049 170 K CA 1.587 57.887 56.287 0.022 0.000 0.931 170 K CB -0.140 32.364 32.500 0.006 0.000 0.714 170 K HN 0.194 nan 8.250 nan 0.000 0.440 171 I N 1.153 121.755 120.570 0.053 0.000 2.179 171 I HA -0.295 3.874 4.170 -0.001 0.000 0.242 171 I C 2.240 178.422 176.117 0.109 0.000 1.088 171 I CA 1.258 62.599 61.300 0.070 0.000 1.357 171 I CB -0.306 37.666 38.000 -0.046 0.000 1.051 171 I HN 0.125 nan 8.210 nan 0.000 0.409 172 L N 0.543 121.808 121.223 0.071 0.000 2.083 172 L HA -0.208 4.132 4.340 -0.001 0.000 0.209 172 L C 2.847 179.798 176.870 0.136 0.000 1.083 172 L CA 1.336 56.240 54.840 0.108 0.000 0.752 172 L CB -0.740 41.413 42.059 0.156 0.000 0.899 172 L HN 0.253 nan 8.230 nan 0.000 0.433 173 A N -0.011 122.870 122.820 0.103 0.000 1.898 173 A HA -0.234 4.085 4.320 -0.001 0.000 0.216 173 A C 2.426 180.048 177.584 0.064 0.000 1.181 173 A CA 1.811 53.886 52.037 0.065 0.000 0.620 173 A CB -0.420 18.593 19.000 0.021 0.000 0.819 173 A HN 0.317 nan 8.150 nan 0.000 0.442 174 K N -1.602 118.853 120.400 0.092 0.000 2.026 174 K HA -0.188 4.132 4.320 -0.001 0.000 0.208 174 K C 1.747 178.342 176.600 -0.008 0.000 1.048 174 K CA 1.843 58.154 56.287 0.041 0.000 0.929 174 K CB -0.322 32.216 32.500 0.063 0.000 0.713 174 K HN 0.515 nan 8.250 nan 0.000 0.439 175 Y N 0.231 120.517 120.300 -0.024 0.000 2.395 175 Y HA -0.076 4.473 4.550 -0.001 0.000 0.293 175 Y C 1.852 177.716 175.900 -0.061 0.000 1.123 175 Y CA 0.386 58.463 58.100 -0.039 0.000 1.227 175 Y CB -0.046 38.409 38.460 -0.007 0.000 1.012 175 Y HN 0.096 nan 8.280 nan 0.000 0.552 176 L N -0.738 120.556 121.223 0.118 0.000 2.313 176 L HA -0.031 4.308 4.340 -0.001 0.000 0.214 176 L C 1.826 178.690 176.870 -0.009 0.000 1.119 176 L CA 1.171 56.044 54.840 0.054 0.000 0.809 176 L CB -0.505 41.602 42.059 0.080 0.000 0.933 176 L HN 0.226 nan 8.230 nan 0.000 0.449 177 L N -1.061 120.148 121.223 -0.023 0.000 2.270 177 L HA 0.026 4.365 4.340 -0.001 0.000 0.210 177 L C 2.094 178.911 176.870 -0.090 0.000 1.104 177 L CA 1.410 56.222 54.840 -0.046 0.000 0.804 177 L CB -0.374 41.663 42.059 -0.038 0.000 0.937 177 L HN 0.322 nan 8.230 nan 0.000 0.450 178 E N -1.360 118.754 120.200 -0.144 0.000 2.318 178 E HA -0.046 4.303 4.350 -0.001 0.000 0.193 178 E C 1.504 177.893 176.600 -0.352 0.000 0.998 178 E CA 1.066 57.346 56.400 -0.201 0.000 0.859 178 E CB 0.093 29.649 29.700 -0.240 0.000 0.812 178 E HN 0.612 nan 8.360 nan 0.000 0.492 179 T N -2.081 112.220 114.554 -0.423 0.000 3.060 179 T HA 0.070 4.419 4.350 -0.001 0.000 0.249 179 T C 1.529 176.070 174.700 -0.265 0.000 1.079 179 T CA 0.564 62.236 62.100 -0.713 0.000 1.013 179 T CB 0.296 68.804 68.868 -0.600 0.000 0.975 179 T HN 0.086 nan 8.240 nan 0.000 0.518 180 S N -0.980 114.643 115.700 -0.129 0.000 2.760 180 S HA 0.452 4.922 4.470 -0.001 0.000 0.263 180 S C 1.564 176.151 174.600 -0.023 0.000 1.007 180 S CA 0.286 58.464 58.200 -0.038 0.000 1.358 180 S CB -0.353 62.839 63.200 -0.013 0.000 1.228 180 S HN 1.164 nan 8.310 nan 0.000 0.684 181 G N 2.236 111.013 108.800 -0.038 0.000 2.258 181 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.274 181 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.274 181 G C -0.298 174.593 174.900 -0.015 0.000 1.021 181 G CA 0.635 45.721 45.100 -0.024 0.000 0.798 181 G HN 1.428 nan 8.290 nan 0.000 0.507 182 N N -2.490 116.203 118.700 -0.012 0.000 2.555 182 N HA 0.470 5.209 4.740 -0.001 0.000 0.265 182 N C -0.123 175.389 175.510 0.004 0.000 1.135 182 N CA -1.189 51.859 53.050 -0.004 0.000 0.925 182 N CB 0.605 39.092 38.487 0.000 0.000 1.662 182 N HN -0.086 nan 8.380 nan 0.000 0.489 183 L N 0.211 121.438 121.223 0.006 0.000 2.653 183 L HA 0.272 4.612 4.340 -0.001 0.000 0.232 183 L C -0.251 176.638 176.870 0.031 0.000 1.169 183 L CA -0.045 54.805 54.840 0.017 0.000 0.951 183 L CB -1.122 40.939 42.059 0.004 0.000 1.181 183 L HN 0.621 nan 8.230 nan 0.000 0.460 184 D N 1.003 121.420 120.400 0.028 0.000 2.533 184 D HA 0.170 4.809 4.640 -0.001 0.000 0.236 184 D C 1.417 177.755 176.300 0.063 0.000 1.137 184 D CA 1.295 55.316 54.000 0.037 0.000 0.867 184 D CB 0.779 41.592 40.800 0.021 0.000 1.170 184 D HN 0.358 nan 8.370 nan 0.000 0.474 185 G N 1.862 110.720 108.800 0.097 0.000 2.162 185 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.260 185 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.260 185 G C 1.010 176.040 174.900 0.218 0.000 0.976 185 G CA 0.487 45.686 45.100 0.164 0.000 0.655 185 G HN 0.501 nan 8.290 nan 0.000 0.533 186 L N 0.936 122.252 121.223 0.154 0.000 2.013 186 L HA 0.010 4.349 4.340 -0.001 0.000 0.212 186 L C 2.582 179.584 176.870 0.220 0.000 1.073 186 L CA 2.976 57.913 54.840 0.161 0.000 0.753 186 L CB -0.376 41.723 42.059 0.067 0.000 0.890 186 L HN 0.341 nan 8.230 nan 0.000 0.432 187 E N -0.678 119.594 120.200 0.119 0.000 2.208 187 E HA -0.269 4.080 4.350 -0.001 0.000 0.202 187 E C 1.485 178.116 176.600 0.052 0.000 1.014 187 E CA 1.780 58.167 56.400 -0.023 0.000 0.819 187 E CB -0.325 29.272 29.700 -0.171 0.000 0.735 187 E HN 0.689 nan 8.360 nan 0.000 0.469 188 Y N -0.567 119.888 120.300 0.259 0.000 2.607 188 Y HA 0.160 4.709 4.550 -0.001 0.000 0.266 188 Y C 1.586 177.598 175.900 0.187 0.000 1.178 188 Y CA -0.243 58.000 58.100 0.238 0.000 1.226 188 Y CB 0.531 39.088 38.460 0.162 0.000 1.144 188 Y HN -0.201 nan 8.280 nan 0.000 0.528 189 K N 0.249 120.842 120.400 0.322 0.000 2.366 189 K HA 0.084 4.403 4.320 -0.001 0.000 0.198 189 K C -0.111 176.545 176.600 0.093 0.000 1.044 189 K CA 0.433 56.855 56.287 0.226 0.000 0.973 189 K CB 0.249 32.916 32.500 0.279 0.000 0.767 189 K HN 0.177 nan 8.250 nan 0.000 0.475 190 L N 1.008 122.110 121.223 -0.201 0.000 2.388 190 L HA 0.265 4.604 4.340 -0.001 0.000 0.267 190 L C -1.310 175.370 176.870 -0.317 0.000 0.995 190 L CA -0.716 53.855 54.840 -0.448 0.000 0.864 190 L CB 0.979 42.417 42.059 -1.035 0.000 1.216 190 L HN 0.003 nan 8.230 nan 0.000 0.430 191 H N 2.401 121.280 119.070 -0.317 0.000 2.502 191 H HA 0.327 4.883 4.556 -0.001 0.000 0.327 191 H C -0.696 174.364 175.328 -0.447 0.000 1.099 191 H CA -0.022 55.868 56.048 -0.263 0.000 1.323 191 H CB 1.061 30.672 29.762 -0.252 0.000 1.450 191 H HN 0.564 nan 8.280 nan 0.000 0.502 192 D N 4.417 124.581 120.400 -0.394 0.000 2.325 192 D HA -0.007 4.632 4.640 -0.001 0.000 0.251 192 D C -0.195 176.218 176.300 0.187 0.000 1.196 192 D CA 0.295 54.116 54.000 -0.298 0.000 0.866 192 D CB 0.090 40.724 40.800 -0.277 0.000 1.101 192 D HN 0.625 nan 8.370 nan 0.000 0.476 193 F N 1.199 121.122 119.950 -0.044 0.000 2.706 193 F HA 0.195 4.721 4.527 -0.001 0.000 0.313 193 F C 2.110 177.935 175.800 0.042 0.000 1.096 193 F CA -0.684 57.340 58.000 0.040 0.000 1.219 193 F CB 1.222 40.251 39.000 0.049 0.000 1.051 193 F HN 0.474 nan 8.300 nan 0.000 0.568 194 G N -0.361 108.546 108.800 0.178 0.000 2.990 194 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.206 194 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.206 194 G C 1.069 176.072 174.900 0.172 0.000 1.169 194 G CA 0.079 45.258 45.100 0.133 0.000 0.819 194 G HN 0.285 nan 8.290 nan 0.000 0.517 195 Y N 2.359 122.690 120.300 0.052 0.000 2.128 195 Y HA -0.225 4.324 4.550 -0.001 0.000 0.284 195 Y C 2.810 178.723 175.900 0.022 0.000 1.154 195 Y CA 1.755 59.873 58.100 0.030 0.000 1.149 195 Y CB -0.129 38.344 38.460 0.021 0.000 0.976 195 Y HN 0.452 nan 8.280 nan 0.000 0.505 196 R N -1.279 119.341 120.500 0.199 0.000 2.161 196 R HA 0.096 4.435 4.340 -0.001 0.000 0.213 196 R C 2.177 178.526 176.300 0.082 0.000 1.055 196 R CA 1.193 57.339 56.100 0.077 0.000 0.996 196 R CB -0.996 29.314 30.300 0.017 0.000 0.901 196 R HN 0.272 nan 8.270 nan 0.000 0.456 197 G N 1.306 110.166 108.800 0.100 0.000 2.920 197 G HA2 0.115 4.074 3.960 -0.001 0.000 0.208 197 G HA3 0.115 4.074 3.960 -0.001 0.000 0.208 197 G C 0.329 175.275 174.900 0.077 0.000 1.159 197 G CA -0.210 44.937 45.100 0.079 0.000 0.784 197 G HN 0.082 nan 8.290 nan 0.000 0.535 198 V N 0.732 120.702 119.914 0.093 0.000 3.036 198 V HA 0.237 4.357 4.120 -0.001 0.000 0.308 198 V C 1.775 177.896 176.094 0.046 0.000 1.070 198 V CA 0.466 62.808 62.300 0.070 0.000 1.056 198 V CB 1.806 33.678 31.823 0.082 0.000 1.084 198 V HN 0.359 nan 8.190 nan 0.000 0.471 199 S N 0.830 116.534 115.700 0.007 0.000 2.527 199 S HA 0.088 4.558 4.470 -0.001 0.000 0.222 199 S C 0.495 175.098 174.600 0.005 0.000 0.985 199 S CA 0.369 58.569 58.200 -0.000 0.000 0.921 199 S CB -0.123 63.064 63.200 -0.022 0.000 0.772 199 S HN 1.128 nan 8.310 nan 0.000 0.529 200 S N -1.019 114.688 115.700 0.012 0.000 2.611 200 S HA 0.467 4.937 4.470 -0.001 0.000 0.268 200 S C 0.087 174.727 174.600 0.067 0.000 1.156 200 S CA -0.647 57.571 58.200 0.030 0.000 0.817 200 S CB 1.227 64.432 63.200 0.008 0.000 1.122 200 S HN -0.038 nan 8.310 nan 0.000 0.466 201 Q N 0.959 120.813 119.800 0.089 0.000 2.050 201 Q HA -0.040 4.299 4.340 -0.001 0.000 0.202 201 Q C 1.897 177.939 176.000 0.070 0.000 0.980 201 Q CA 2.437 58.322 55.803 0.136 0.000 0.840 201 Q CB -0.365 28.445 28.738 0.121 0.000 0.898 201 Q HN 0.860 nan 8.270 nan 0.000 0.424 202 E N -1.439 118.789 120.200 0.047 0.000 2.110 202 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 202 E C 1.513 178.094 176.600 -0.032 0.000 0.988 202 E CA 1.575 57.990 56.400 0.025 0.000 0.804 202 E CB -0.001 29.740 29.700 0.069 0.000 0.745 202 E HN 0.358 nan 8.360 nan 0.000 0.458 203 T N 0.525 115.051 114.554 -0.047 0.000 2.746 203 T HA -0.117 4.232 4.350 -0.001 0.000 0.267 203 T C 1.820 176.520 174.700 -0.000 0.000 1.039 203 T CA 1.208 63.252 62.100 -0.093 0.000 1.142 203 T CB -0.318 68.426 68.868 -0.207 0.000 0.866 203 T HN 0.363 nan 8.240 nan 0.000 0.444 204 A N 1.422 124.225 122.820 -0.027 0.000 1.892 204 A HA 0.006 4.325 4.320 -0.001 0.000 0.218 204 A C 2.612 180.074 177.584 -0.204 0.000 1.188 204 A CA 2.091 54.053 52.037 -0.124 0.000 0.631 204 A CB -1.413 17.459 19.000 -0.212 0.000 0.822 204 A HN 0.521 nan 8.150 nan 0.000 0.447 205 G N -0.334 108.356 108.800 -0.183 0.000 2.402 205 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.216 205 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.216 205 G C 1.545 176.335 174.900 -0.183 0.000 1.162 205 G CA 1.029 46.017 45.100 -0.188 0.000 0.777 205 G HN 0.480 nan 8.290 nan 0.000 0.539 206 I N 1.225 121.679 120.570 -0.193 0.000 2.142 206 I HA -0.105 4.064 4.170 -0.001 0.000 0.240 206 I C 3.129 179.185 176.117 -0.103 0.000 1.078 206 I CA 1.182 62.340 61.300 -0.237 0.000 1.343 206 I CB -0.674 37.207 38.000 -0.197 0.000 1.046 206 I HN 0.248 nan 8.210 nan 0.000 0.405 207 G N 0.517 109.332 108.800 0.025 0.000 2.446 207 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.217 207 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.217 207 G C 1.870 176.715 174.900 -0.090 0.000 1.168 207 G CA 0.916 45.947 45.100 -0.114 0.000 0.771 207 G HN 0.502 nan 8.290 nan 0.000 0.551 208 A N 1.327 124.095 122.820 -0.087 0.000 1.908 208 A HA -0.073 4.246 4.320 -0.001 0.000 0.218 208 A C 2.770 180.318 177.584 -0.059 0.000 1.181 208 A CA 2.782 54.769 52.037 -0.084 0.000 0.627 208 A CB -0.857 18.044 19.000 -0.166 0.000 0.818 208 A HN 0.817 nan 8.150 nan 0.000 0.445 209 S N 0.150 115.797 115.700 -0.088 0.000 2.399 209 S HA 0.028 4.497 4.470 -0.001 0.000 0.231 209 S C 2.057 176.636 174.600 -0.036 0.000 1.022 209 S CA 1.365 59.503 58.200 -0.103 0.000 0.983 209 S CB -0.655 62.514 63.200 -0.051 0.000 0.803 209 S HN 0.907 nan 8.310 nan 0.000 0.480 210 A N 1.827 124.657 122.820 0.016 0.000 1.873 210 A HA -0.096 4.224 4.320 -0.001 0.000 0.215 210 A C 2.120 179.646 177.584 -0.096 0.000 1.186 210 A CA 1.847 53.842 52.037 -0.071 0.000 0.616 210 A CB -1.387 17.595 19.000 -0.030 0.000 0.823 210 A HN 0.754 nan 8.150 nan 0.000 0.442 211 H N 0.071 119.080 119.070 -0.103 0.000 2.353 211 H HA 0.019 4.574 4.556 -0.001 0.000 0.300 211 H C 1.562 176.896 175.328 0.009 0.000 1.090 211 H CA 1.779 57.804 56.048 -0.038 0.000 1.327 211 H CB -0.394 29.333 29.762 -0.058 0.000 1.383 211 H HN 0.335 nan 8.280 nan 0.000 0.508 212 L N 0.061 121.240 121.223 -0.073 0.000 2.551 212 L HA -0.119 4.221 4.340 -0.001 0.000 0.230 212 L C 1.986 178.850 176.870 -0.010 0.000 1.163 212 L CA 0.300 55.103 54.840 -0.062 0.000 0.826 212 L CB -0.177 41.870 42.059 -0.020 0.000 0.943 212 L HN 0.249 nan 8.230 nan 0.000 0.452 213 V N -0.242 119.569 119.914 -0.171 0.000 2.809 213 V HA -0.165 3.954 4.120 -0.001 0.000 0.256 213 V C 1.759 177.605 176.094 -0.414 0.000 1.080 213 V CA 1.461 63.482 62.300 -0.464 0.000 1.102 213 V CB -0.412 31.037 31.823 -0.624 0.000 0.705 213 V HN 0.594 nan 8.190 nan 0.000 0.475 214 N N -1.675 116.794 118.700 -0.384 0.000 2.397 214 N HA 0.202 4.941 4.740 -0.001 0.000 0.190 214 N C 0.160 175.176 175.510 -0.823 0.000 1.099 214 N CA 0.345 53.062 53.050 -0.556 0.000 0.876 214 N CB 0.778 38.950 38.487 -0.525 0.000 1.143 214 N HN 0.403 nan 8.380 nan 0.000 0.468 215 F N 0.337 120.011 119.950 -0.461 0.000 2.679 215 F HA 0.462 4.989 4.527 -0.001 0.000 0.341 215 F C 1.276 176.850 175.800 -0.376 0.000 1.095 215 F CA -0.777 56.965 58.000 -0.431 0.000 1.004 215 F CB 1.698 40.410 39.000 -0.480 0.000 1.388 215 F HN -0.426 nan 8.300 nan 0.000 0.505 216 K N -0.305 119.970 120.400 -0.209 0.000 2.438 216 K HA 0.250 4.569 4.320 -0.001 0.000 0.206 216 K C 0.211 176.752 176.600 -0.097 0.000 1.081 216 K CA -0.084 56.076 56.287 -0.212 0.000 1.053 216 K CB 1.328 33.639 32.500 -0.314 0.000 0.908 216 K HN 0.696 nan 8.250 nan 0.000 0.556 217 G N 1.028 109.780 108.800 -0.081 0.000 2.327 217 G HA2 0.329 4.288 3.960 -0.001 0.000 0.302 217 G HA3 0.329 4.288 3.960 -0.001 0.000 0.302 217 G C -0.779 173.827 174.900 -0.490 0.000 1.113 217 G CA 0.106 45.228 45.100 0.037 0.000 0.921 217 G HN -0.069 nan 8.290 nan 0.000 0.425 218 T N 0.702 114.890 114.554 -0.610 0.000 2.932 218 T HA 0.397 4.746 4.350 -0.001 0.000 0.318 218 T C -0.814 173.798 174.700 -0.146 0.000 1.265 218 T CA -0.516 61.303 62.100 -0.467 0.000 1.036 218 T CB 2.002 70.787 68.868 -0.138 0.000 1.209 218 T HN 0.266 nan 8.240 nan 0.000 0.484 219 D N 1.055 121.485 120.400 0.050 0.000 2.469 219 D HA 0.246 4.885 4.640 -0.001 0.000 0.213 219 D C 0.046 176.446 176.300 0.166 0.000 1.135 219 D CA 0.139 54.263 54.000 0.206 0.000 0.834 219 D CB 0.745 41.729 40.800 0.307 0.000 1.009 219 D HN 0.456 nan 8.370 nan 0.000 0.507 220 T N 0.860 115.444 114.554 0.050 0.000 3.316 220 T HA 0.108 4.457 4.350 -0.001 0.000 0.341 220 T C 1.693 176.283 174.700 -0.184 0.000 1.397 220 T CA -0.180 61.850 62.100 -0.117 0.000 1.085 220 T CB 0.952 69.662 68.868 -0.264 0.000 1.160 220 T HN -0.168 nan 8.240 nan 0.000 0.694 221 V N 1.992 121.906 119.914 -0.001 0.000 2.453 221 V HA -0.281 3.838 4.120 -0.001 0.000 0.252 221 V C 2.814 178.861 176.094 -0.078 0.000 1.068 221 V CA 2.183 64.488 62.300 0.008 0.000 1.070 221 V CB -1.073 30.825 31.823 0.125 0.000 0.664 221 V HN 0.888 nan 8.190 nan 0.000 0.461 222 A N 0.727 123.424 122.820 -0.204 0.000 1.997 222 A HA -0.191 4.128 4.320 -0.001 0.000 0.221 222 A C 2.409 179.893 177.584 -0.168 0.000 1.172 222 A CA 2.089 54.016 52.037 -0.183 0.000 0.645 222 A CB -1.155 17.643 19.000 -0.336 0.000 0.813 222 A HN 0.576 nan 8.150 nan 0.000 0.454 223 G N -0.513 108.160 108.800 -0.211 0.000 2.422 223 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.218 223 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.218 223 G C 1.318 176.115 174.900 -0.172 0.000 1.140 223 G CA 0.931 45.923 45.100 -0.180 0.000 0.775 223 G HN 0.364 nan 8.290 nan 0.000 0.545 224 L N 1.093 122.225 121.223 -0.152 0.000 2.056 224 L HA 0.008 4.348 4.340 -0.001 0.000 0.207 224 L C 3.261 180.066 176.870 -0.109 0.000 1.078 224 L CA 1.750 56.498 54.840 -0.153 0.000 0.749 224 L CB -1.632 40.353 42.059 -0.124 0.000 0.901 224 L HN 0.327 nan 8.230 nan 0.000 0.433 225 A N 0.177 122.958 122.820 -0.066 0.000 1.858 225 A HA -0.225 4.094 4.320 -0.001 0.000 0.216 225 A C 2.432 180.021 177.584 0.009 0.000 1.190 225 A CA 1.760 53.781 52.037 -0.027 0.000 0.617 225 A CB -0.887 18.112 19.000 -0.003 0.000 0.827 225 A HN 0.371 nan 8.150 nan 0.000 0.443 226 L N -0.381 120.865 121.223 0.038 0.000 2.012 226 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 226 L C 2.432 179.433 176.870 0.219 0.000 1.073 226 L CA 1.762 56.707 54.840 0.176 0.000 0.748 226 L CB -0.268 41.813 42.059 0.037 0.000 0.891 226 L HN 0.470 nan 8.230 nan 0.000 0.431 227 I N -0.193 120.394 120.570 0.028 0.000 2.179 227 I HA -0.357 3.812 4.170 -0.001 0.000 0.242 227 I C 2.630 178.775 176.117 0.046 0.000 1.088 227 I CA 1.630 62.919 61.300 -0.020 0.000 1.357 227 I CB -0.386 37.308 38.000 -0.510 0.000 1.051 227 I HN 0.304 nan 8.210 nan 0.000 0.409 228 K N 1.340 121.723 120.400 -0.029 0.000 2.063 228 K HA -0.259 4.060 4.320 -0.001 0.000 0.208 228 K C 2.234 178.806 176.600 -0.048 0.000 1.048 228 K CA 1.682 57.951 56.287 -0.031 0.000 0.928 228 K CB -0.025 32.444 32.500 -0.051 0.000 0.713 228 K HN 0.135 nan 8.250 nan 0.000 0.442 229 K N -0.847 119.501 120.400 -0.087 0.000 2.116 229 K HA -0.111 4.208 4.320 -0.001 0.000 0.203 229 K C 1.170 177.497 176.600 -0.456 0.000 1.052 229 K CA 1.237 57.343 56.287 -0.301 0.000 0.952 229 K CB 0.113 32.345 32.500 -0.446 0.000 0.729 229 K HN 0.198 nan 8.250 nan 0.000 0.446 230 Y N -2.180 118.083 120.300 -0.062 0.000 2.442 230 Y HA 0.135 4.684 4.550 -0.001 0.000 0.250 230 Y C 0.765 176.423 175.900 -0.403 0.000 1.113 230 Y CA -0.098 57.858 58.100 -0.240 0.000 1.273 230 Y CB 0.639 38.915 38.460 -0.306 0.000 1.138 230 Y HN 0.026 nan 8.280 nan 0.000 0.522 231 Y N -1.021 119.395 120.300 0.194 0.000 2.784 231 Y HA 0.485 5.035 4.550 -0.001 0.000 0.267 231 Y C 1.343 177.336 175.900 0.154 0.000 1.117 231 Y CA 0.027 58.257 58.100 0.217 0.000 1.231 231 Y CB 0.389 39.062 38.460 0.356 0.000 1.441 231 Y HN -0.124 nan 8.280 nan 0.000 0.469 232 G N 1.307 110.259 108.800 0.254 0.000 2.764 232 G HA2 0.073 4.032 3.960 -0.001 0.000 0.686 232 G HA3 0.073 4.032 3.960 -0.001 0.000 0.686 232 G C -0.376 174.637 174.900 0.189 0.000 1.258 232 G CA -0.183 45.008 45.100 0.151 0.000 0.846 232 G HN 0.527 nan 8.290 nan 0.000 0.596 233 T N -1.106 113.521 114.554 0.122 0.000 2.906 233 T HA 0.734 5.084 4.350 -0.001 0.000 0.295 233 T C 1.094 175.848 174.700 0.090 0.000 1.075 233 T CA 0.123 62.303 62.100 0.134 0.000 1.005 233 T CB 2.198 71.141 68.868 0.124 0.000 1.136 233 T HN 0.947 nan 8.240 nan 0.000 0.498 234 K N 0.783 121.237 120.400 0.089 0.000 2.025 234 K HA -0.021 4.298 4.320 -0.001 0.000 0.207 234 K C 0.367 177.008 176.600 0.067 0.000 1.049 234 K CA 1.355 57.683 56.287 0.069 0.000 0.933 234 K CB -0.493 32.046 32.500 0.065 0.000 0.714 234 K HN 0.693 nan 8.250 nan 0.000 0.438 235 D N 0.253 120.702 120.400 0.082 0.000 2.360 235 D HA 0.018 4.658 4.640 -0.001 0.000 0.242 235 D C -1.660 174.679 176.300 0.065 0.000 1.184 235 D CA -1.412 52.643 54.000 0.092 0.000 0.930 235 D CB 0.646 41.530 40.800 0.141 0.000 1.161 235 D HN -0.005 nan 8.370 nan 0.000 0.447 236 P HA -0.097 nan 4.420 nan 0.000 0.218 236 P C -0.051 177.238 177.300 -0.017 0.000 1.149 236 P CA 1.047 64.166 63.100 0.032 0.000 0.817 236 P CB 0.336 32.068 31.700 0.052 0.000 0.785 237 V N -7.473 112.407 119.914 -0.056 0.000 3.087 237 V HA 0.453 4.572 4.120 -0.001 0.000 0.306 237 V C -2.399 173.550 176.094 -0.242 0.000 1.187 237 V CA -2.022 60.168 62.300 -0.184 0.000 0.999 237 V CB 1.599 33.246 31.823 -0.293 0.000 1.049 237 V HN -0.294 nan 8.190 nan 0.000 0.431 238 P HA 0.249 nan 4.420 nan 0.000 0.219 238 P C 0.644 177.809 177.300 -0.225 0.000 1.154 238 P CA 1.339 64.332 63.100 -0.178 0.000 0.826 238 P CB 0.227 31.750 31.700 -0.295 0.000 0.795 239 G N -2.071 106.504 108.800 -0.376 0.000 2.630 239 G HA2 0.620 4.579 3.960 -0.001 0.000 0.296 239 G HA3 0.620 4.579 3.960 -0.001 0.000 0.296 239 G C -1.779 172.804 174.900 -0.529 0.000 1.285 239 G CA -0.399 44.518 45.100 -0.304 0.000 0.958 239 G HN -0.106 nan 8.290 nan 0.000 0.479 240 Y N -0.924 119.457 120.300 0.135 0.000 2.634 240 Y HA 0.805 5.355 4.550 -0.001 0.000 0.340 240 Y C 0.471 176.523 175.900 0.254 0.000 1.058 240 Y CA -0.868 57.348 58.100 0.194 0.000 1.081 240 Y CB 2.506 41.122 38.460 0.261 0.000 1.295 240 Y HN 0.697 nan 8.280 nan 0.000 0.487 241 S N 0.133 116.066 115.700 0.388 0.000 2.638 241 S HA 0.873 5.342 4.470 -0.001 0.000 0.274 241 S C -1.755 172.962 174.600 0.195 0.000 1.157 241 S CA -0.542 57.863 58.200 0.341 0.000 0.826 241 S CB 1.206 64.568 63.200 0.269 0.000 1.139 241 S HN 0.883 nan 8.310 nan 0.000 0.474 242 V N 0.136 120.107 119.914 0.095 0.000 3.040 242 V HA 0.791 4.911 4.120 -0.001 0.000 0.312 242 V C -2.962 173.068 176.094 -0.107 0.000 1.115 242 V CA -2.470 59.823 62.300 -0.011 0.000 0.998 242 V CB 0.576 32.369 31.823 -0.050 0.000 1.042 242 V HN 0.721 nan 8.190 nan 0.000 0.433 243 P HA 0.566 nan 4.420 nan 0.000 0.267 243 P C -0.547 176.512 177.300 -0.403 0.000 1.205 243 P CA 0.502 63.327 63.100 -0.459 0.000 0.765 243 P CB 0.725 31.820 31.700 -1.009 0.000 0.828 244 A N 2.304 124.923 122.820 -0.336 0.000 2.539 244 A HA 0.762 5.082 4.320 -0.001 0.000 0.296 244 A C -0.858 176.603 177.584 -0.205 0.000 1.073 244 A CA -0.614 51.273 52.037 -0.251 0.000 0.700 244 A CB 1.570 20.448 19.000 -0.203 0.000 1.296 244 A HN 0.524 nan 8.150 nan 0.000 0.405 245 A N 0.443 123.165 122.820 -0.164 0.000 2.302 245 A HA 0.685 5.004 4.320 -0.001 0.000 0.285 245 A C 0.069 177.577 177.584 -0.127 0.000 1.105 245 A CA -0.098 51.876 52.037 -0.104 0.000 0.816 245 A CB 0.496 19.452 19.000 -0.074 0.000 1.067 245 A HN 0.938 nan 8.150 nan 0.000 0.489 246 E N -0.337 119.816 120.200 -0.079 0.000 2.263 246 E HA 0.388 4.737 4.350 -0.001 0.000 0.264 246 E C -0.040 176.525 176.600 -0.058 0.000 0.923 246 E CA -0.647 55.708 56.400 -0.075 0.000 0.802 246 E CB 0.947 30.631 29.700 -0.027 0.000 1.228 246 E HN 0.747 nan 8.360 nan 0.000 0.417 247 H N 0.724 119.781 119.070 -0.022 0.000 2.390 247 H HA -0.173 4.382 4.556 -0.001 0.000 0.298 247 H C 2.064 177.402 175.328 0.017 0.000 1.106 247 H CA 2.635 58.672 56.048 -0.019 0.000 1.297 247 H CB 0.190 29.922 29.762 -0.050 0.000 1.375 247 H HN 0.530 nan 8.280 nan 0.000 0.509 248 S N -1.300 114.481 115.700 0.135 0.000 2.447 248 S HA -0.122 4.348 4.470 -0.001 0.000 0.233 248 S C 2.049 176.733 174.600 0.141 0.000 1.006 248 S CA 1.363 59.632 58.200 0.114 0.000 0.957 248 S CB -0.259 62.986 63.200 0.075 0.000 0.773 248 S HN 0.310 nan 8.310 nan 0.000 0.507 249 T N 1.722 116.356 114.554 0.133 0.000 3.023 249 T HA 0.231 4.580 4.350 -0.001 0.000 0.266 249 T C 1.401 176.261 174.700 0.266 0.000 1.093 249 T CA 0.759 62.974 62.100 0.190 0.000 1.129 249 T CB -0.164 68.781 68.868 0.129 0.000 0.899 249 T HN 0.338 nan 8.240 nan 0.000 0.491 250 I N 1.162 121.846 120.570 0.190 0.000 2.685 250 I HA 0.020 4.189 4.170 -0.001 0.000 0.251 250 I C 2.879 179.157 176.117 0.268 0.000 1.102 250 I CA 1.314 62.719 61.300 0.176 0.000 1.442 250 I CB -1.712 36.370 38.000 0.135 0.000 1.194 250 I HN 0.294 nan 8.210 nan 0.000 0.448 251 T N 0.097 114.785 114.554 0.223 0.000 2.929 251 T HA -0.011 4.338 4.350 -0.001 0.000 0.271 251 T C 1.933 176.795 174.700 0.270 0.000 1.085 251 T CA 1.069 63.324 62.100 0.258 0.000 1.125 251 T CB -0.362 68.601 68.868 0.158 0.000 0.874 251 T HN 0.230 nan 8.240 nan 0.000 0.494 252 A N 0.470 123.452 122.820 0.269 0.000 2.019 252 A HA 0.058 4.377 4.320 -0.001 0.000 0.219 252 A C 1.948 179.626 177.584 0.157 0.000 1.164 252 A CA 1.070 53.209 52.037 0.170 0.000 0.644 252 A CB -1.149 17.914 19.000 0.105 0.000 0.805 252 A HN 0.733 nan 8.150 nan 0.000 0.449 253 W N -0.761 120.577 121.300 0.064 0.000 2.436 253 W HA 0.339 4.998 4.660 -0.001 0.000 0.284 253 W C 1.298 177.884 176.519 0.111 0.000 1.225 253 W CA 1.512 58.898 57.345 0.069 0.000 1.271 253 W CB -0.379 29.123 29.460 0.070 0.000 1.114 253 W HN 0.667 nan 8.180 nan 0.000 0.559 254 G N -0.409 108.588 108.800 0.328 0.000 2.592 254 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.685 254 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.685 254 G C 0.635 175.584 174.900 0.082 0.000 1.278 254 G CA -0.395 44.815 45.100 0.184 0.000 0.822 254 G HN 0.105 nan 8.290 nan 0.000 0.652 255 K N 0.224 120.581 120.400 -0.071 0.000 2.089 255 K HA -0.178 4.141 4.320 -0.001 0.000 0.210 255 K C 1.192 177.515 176.600 -0.460 0.000 1.048 255 K CA 1.957 57.951 56.287 -0.487 0.000 0.926 255 K CB -0.059 32.134 32.500 -0.511 0.000 0.714 255 K HN 0.422 nan 8.250 nan 0.000 0.448 256 D N 0.547 120.734 120.400 -0.354 0.000 2.224 256 D HA -0.074 4.565 4.640 -0.001 0.000 0.205 256 D C 0.745 176.799 176.300 -0.411 0.000 0.965 256 D CA 0.924 54.674 54.000 -0.417 0.000 0.852 256 D CB -0.048 40.452 40.800 -0.499 0.000 0.947 256 D HN 0.377 nan 8.370 nan 0.000 0.494 257 H N 0.597 119.635 119.070 -0.054 0.000 2.579 257 H HA 0.151 4.706 4.556 -0.001 0.000 0.289 257 H C 1.271 176.543 175.328 -0.093 0.000 1.270 257 H CA -0.088 55.954 56.048 -0.010 0.000 1.060 257 H CB 0.224 30.079 29.762 0.156 0.000 1.554 257 H HN 0.340 nan 8.280 nan 0.000 0.515 258 E N 1.706 121.815 120.200 -0.152 0.000 2.112 258 E HA -0.127 4.222 4.350 -0.001 0.000 0.190 258 E C 1.899 178.077 176.600 -0.704 0.000 0.979 258 E CA 0.760 56.947 56.400 -0.355 0.000 0.814 258 E CB 0.365 29.856 29.700 -0.348 0.000 0.762 258 E HN 0.512 nan 8.360 nan 0.000 0.460 259 K N 0.305 120.368 120.400 -0.561 0.000 2.147 259 K HA -0.170 4.149 4.320 -0.001 0.000 0.205 259 K C 1.439 177.825 176.600 -0.356 0.000 1.049 259 K CA 1.643 57.608 56.287 -0.537 0.000 0.936 259 K CB -0.084 32.235 32.500 -0.301 0.000 0.722 259 K HN 0.045 nan 8.250 nan 0.000 0.446 260 D N 1.622 121.856 120.400 -0.276 0.000 2.117 260 D HA -0.101 4.538 4.640 -0.001 0.000 0.198 260 D C 2.123 177.957 176.300 -0.777 0.000 0.982 260 D CA 1.556 55.383 54.000 -0.289 0.000 0.828 260 D CB -0.234 40.546 40.800 -0.033 0.000 0.967 260 D HN 0.397 nan 8.370 nan 0.000 0.464 261 A N 1.157 123.311 122.820 -1.111 0.000 1.865 261 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 261 A C 2.060 179.407 177.584 -0.396 0.000 1.191 261 A CA 1.151 52.322 52.037 -1.444 0.000 0.623 261 A CB -0.990 17.430 19.000 -0.967 0.000 0.826 261 A HN 0.073 nan 8.150 nan 0.000 0.444 262 F N 0.005 119.708 119.950 -0.411 0.000 2.065 262 F HA -0.183 4.344 4.527 -0.001 0.000 0.298 262 F C 2.387 178.163 175.800 -0.041 0.000 1.112 262 F CA 1.385 59.270 58.000 -0.192 0.000 1.212 262 F CB -1.214 37.466 39.000 -0.533 0.000 0.975 262 F HN 0.505 nan 8.300 nan 0.000 0.476 263 E N -0.928 119.325 120.200 0.088 0.000 2.038 263 E HA -0.276 4.073 4.350 -0.001 0.000 0.195 263 E C 2.469 179.119 176.600 0.082 0.000 1.000 263 E CA 1.396 57.844 56.400 0.081 0.000 0.803 263 E CB -0.428 29.290 29.700 0.031 0.000 0.750 263 E HN 0.412 nan 8.360 nan 0.000 0.448 264 H N 0.785 119.821 119.070 -0.058 0.000 2.319 264 H HA -0.150 4.405 4.556 -0.001 0.000 0.299 264 H C 2.154 177.541 175.328 0.099 0.000 1.092 264 H CA 2.024 58.099 56.048 0.045 0.000 1.302 264 H CB -0.180 29.654 29.762 0.120 0.000 1.373 264 H HN 0.271 nan 8.280 nan 0.000 0.497 265 I N 0.777 121.523 120.570 0.293 0.000 2.163 265 I HA -0.245 3.924 4.170 -0.001 0.000 0.240 265 I C 2.906 179.188 176.117 0.275 0.000 1.081 265 I CA 1.390 62.895 61.300 0.342 0.000 1.353 265 I CB -0.389 37.776 38.000 0.276 0.000 1.054 265 I HN 0.169 nan 8.210 nan 0.000 0.407 266 V N -2.098 117.933 119.914 0.195 0.000 2.594 266 V HA -0.223 3.897 4.120 -0.001 0.000 0.253 266 V C 2.192 178.327 176.094 0.068 0.000 1.069 266 V CA 2.263 64.644 62.300 0.135 0.000 1.082 266 V CB -1.398 30.504 31.823 0.131 0.000 0.680 266 V HN 0.373 nan 8.190 nan 0.000 0.469 267 T N -0.470 114.092 114.554 0.014 0.000 2.809 267 T HA -0.104 4.245 4.350 -0.001 0.000 0.260 267 T C 2.031 176.635 174.700 -0.161 0.000 1.039 267 T CA 1.607 63.665 62.100 -0.071 0.000 1.141 267 T CB -0.296 68.510 68.868 -0.102 0.000 0.869 267 T HN 0.480 nan 8.240 nan 0.000 0.437 268 Q N 0.101 119.745 119.800 -0.259 0.000 2.135 268 Q HA -0.034 4.306 4.340 -0.001 0.000 0.204 268 Q C 0.103 175.640 176.000 -0.772 0.000 0.981 268 Q CA 1.148 56.624 55.803 -0.544 0.000 0.856 268 Q CB -0.144 28.223 28.738 -0.619 0.000 0.902 268 Q HN 0.554 nan 8.270 nan 0.000 0.425 269 F N -0.049 119.889 119.950 -0.020 0.000 2.471 269 F HA 0.182 4.708 4.527 -0.001 0.000 0.318 269 F C 1.050 176.830 175.800 -0.033 0.000 1.308 269 F CA -0.413 57.575 58.000 -0.019 0.000 1.162 269 F CB 0.563 39.555 39.000 -0.013 0.000 1.383 269 F HN -0.107 nan 8.300 nan 0.000 0.552 270 S N -2.101 113.615 115.700 0.027 0.000 2.501 270 S HA -0.027 4.442 4.470 -0.001 0.000 0.220 270 S C 1.445 176.051 174.600 0.010 0.000 0.997 270 S CA 0.594 58.799 58.200 0.008 0.000 0.919 270 S CB 0.021 63.204 63.200 -0.028 0.000 0.778 270 S HN 0.274 nan 8.310 nan 0.000 0.523 271 S N 0.820 116.534 115.700 0.022 0.000 2.523 271 S HA 0.383 4.852 4.470 -0.001 0.000 0.217 271 S C 0.396 175.013 174.600 0.029 0.000 0.996 271 S CA 0.028 58.239 58.200 0.017 0.000 0.921 271 S CB 0.691 63.896 63.200 0.009 0.000 0.829 271 S HN 0.632 nan 8.310 nan 0.000 0.495 272 V N -0.883 119.068 119.914 0.061 0.000 2.864 272 V HA 0.688 4.807 4.120 -0.001 0.000 0.314 272 V C -3.357 172.751 176.094 0.024 0.000 1.073 272 V CA -3.189 59.141 62.300 0.050 0.000 0.956 272 V CB 1.304 33.184 31.823 0.094 0.000 1.023 272 V HN -0.218 nan 8.190 nan 0.000 0.435 273 P HA 0.273 nan 4.420 nan 0.000 0.266 273 P C -0.837 176.414 177.300 -0.082 0.000 1.195 273 P CA 0.317 63.378 63.100 -0.065 0.000 0.768 273 P CB 0.915 32.561 31.700 -0.089 0.000 0.838 274 V N 2.436 122.282 119.914 -0.113 0.000 2.841 274 V HA 0.585 4.704 4.120 -0.001 0.000 0.310 274 V C -0.919 175.058 176.094 -0.195 0.000 1.090 274 V CA -0.498 61.709 62.300 -0.154 0.000 0.930 274 V CB 2.269 34.046 31.823 -0.077 0.000 1.014 274 V HN 0.502 nan 8.190 nan 0.000 0.425 275 S N 4.781 120.354 115.700 -0.210 0.000 2.454 275 S HA 0.820 5.289 4.470 -0.001 0.000 0.306 275 S C -1.181 173.294 174.600 -0.207 0.000 1.100 275 S CA -0.464 57.609 58.200 -0.211 0.000 1.087 275 S CB 1.380 64.470 63.200 -0.182 0.000 1.019 275 S HN 0.883 nan 8.310 nan 0.000 0.480 276 V N 5.307 125.084 119.914 -0.229 0.000 2.443 276 V HA 0.413 4.532 4.120 -0.001 0.000 0.293 276 V C 0.086 176.048 176.094 -0.220 0.000 1.021 276 V CA -0.956 61.212 62.300 -0.220 0.000 0.848 276 V CB 1.471 33.153 31.823 -0.236 0.000 0.998 276 V HN 0.750 nan 8.190 nan 0.000 0.424 277 V N 5.836 125.623 119.914 -0.212 0.000 2.450 277 V HA 0.251 4.370 4.120 -0.001 0.000 0.281 277 V C 0.985 176.988 176.094 -0.152 0.000 1.019 277 V CA 0.872 63.038 62.300 -0.223 0.000 1.062 277 V CB 1.480 33.060 31.823 -0.405 0.000 0.979 277 V HN 1.077 nan 8.190 nan 0.000 0.477 278 S N 3.407 119.081 115.700 -0.043 0.000 2.499 278 S HA 0.316 4.785 4.470 -0.001 0.000 0.238 278 S C 0.027 174.697 174.600 0.117 0.000 1.205 278 S CA -0.086 58.207 58.200 0.155 0.000 1.203 278 S CB 0.123 63.484 63.200 0.268 0.000 0.954 278 S HN 0.950 nan 8.310 nan 0.000 0.484 279 D N -0.488 119.940 120.400 0.047 0.000 2.582 279 D HA 0.153 4.792 4.640 -0.001 0.000 0.246 279 D C 0.750 177.070 176.300 0.033 0.000 1.334 279 D CA -0.278 53.739 54.000 0.028 0.000 0.805 279 D CB -0.430 40.373 40.800 0.004 0.000 1.087 279 D HN 0.196 nan 8.370 nan 0.000 0.499 280 S N -0.316 115.370 115.700 -0.024 0.000 2.420 280 S HA -0.123 4.347 4.470 -0.001 0.000 0.237 280 S C 0.671 174.903 174.600 -0.615 0.000 1.023 280 S CA 1.317 59.351 58.200 -0.277 0.000 0.991 280 S CB -0.216 62.682 63.200 -0.504 0.000 0.792 280 S HN 0.530 nan 8.310 nan 0.000 0.488 281 Y N -0.936 119.395 120.300 0.053 0.000 2.820 281 Y HA 0.378 4.928 4.550 -0.001 0.000 0.261 281 Y C 0.204 176.111 175.900 0.011 0.000 1.123 281 Y CA -0.539 57.572 58.100 0.018 0.000 1.217 281 Y CB 0.904 39.358 38.460 -0.010 0.000 1.432 281 Y HN 0.045 nan 8.280 nan 0.000 0.461 282 D N 0.261 120.755 120.400 0.156 0.000 2.354 282 D HA 0.105 4.744 4.640 -0.001 0.000 0.230 282 D C 0.141 176.451 176.300 0.017 0.000 1.361 282 D CA -0.091 53.959 54.000 0.083 0.000 0.992 282 D CB 1.594 42.461 40.800 0.110 0.000 1.409 282 D HN 0.188 nan 8.370 nan 0.000 0.573 283 I N 4.209 124.700 120.570 -0.130 0.000 2.208 283 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 283 I C 1.212 177.206 176.117 -0.205 0.000 1.097 283 I CA 1.738 62.897 61.300 -0.235 0.000 1.363 283 I CB -0.280 37.431 38.000 -0.481 0.000 1.051 283 I HN 0.452 nan 8.210 nan 0.000 0.413 284 Y N -0.022 120.333 120.300 0.092 0.000 2.263 284 Y HA -0.056 4.493 4.550 -0.001 0.000 0.292 284 Y C 1.828 177.783 175.900 0.092 0.000 1.130 284 Y CA 1.062 59.215 58.100 0.089 0.000 1.179 284 Y CB -0.750 37.751 38.460 0.069 0.000 0.998 284 Y HN 0.170 nan 8.280 nan 0.000 0.532 285 N N -0.153 118.668 118.700 0.201 0.000 2.485 285 N HA 0.095 4.834 4.740 -0.001 0.000 0.199 285 N C 0.843 176.402 175.510 0.081 0.000 1.236 285 N CA 0.638 53.764 53.050 0.127 0.000 0.852 285 N CB 0.159 38.701 38.487 0.092 0.000 1.018 285 N HN 0.395 nan 8.380 nan 0.000 0.457 286 A N -1.562 121.325 122.820 0.111 0.000 1.977 286 A HA 0.140 4.459 4.320 -0.001 0.000 0.197 286 A C 1.887 179.588 177.584 0.196 0.000 1.554 286 A CA -0.027 52.063 52.037 0.090 0.000 1.037 286 A CB -0.267 18.814 19.000 0.135 0.000 1.083 286 A HN 0.389 nan 8.150 nan 0.000 0.471 287 C N -0.330 119.141 119.300 0.286 0.000 2.475 287 C HA 0.064 4.523 4.460 -0.001 0.000 0.279 287 C C 2.476 177.682 174.990 0.361 0.000 1.322 287 C CA 1.276 60.532 59.018 0.397 0.000 1.734 287 C CB -0.562 27.354 27.740 0.292 0.000 2.005 287 C HN 0.760 nan 8.230 nan 0.000 0.495 288 E N 1.046 121.404 120.200 0.263 0.000 2.033 288 E HA -0.164 4.185 4.350 -0.001 0.000 0.189 288 E C 2.030 178.735 176.600 0.175 0.000 0.979 288 E CA 1.019 57.549 56.400 0.216 0.000 0.802 288 E CB 0.074 29.876 29.700 0.171 0.000 0.763 288 E HN 0.446 nan 8.360 nan 0.000 0.449 289 K N 0.595 121.075 120.400 0.134 0.000 2.025 289 K HA 0.015 4.334 4.320 -0.001 0.000 0.211 289 K C 2.047 178.693 176.600 0.077 0.000 1.029 289 K CA 1.120 57.455 56.287 0.081 0.000 0.948 289 K CB -0.378 32.143 32.500 0.036 0.000 0.768 289 K HN 0.041 nan 8.250 nan 0.000 0.446 290 I N -0.586 119.992 120.570 0.012 0.000 2.076 290 I HA -0.304 3.866 4.170 -0.001 0.000 0.237 290 I C 2.235 178.406 176.117 0.091 0.000 1.059 290 I CA 1.851 63.106 61.300 -0.075 0.000 1.317 290 I CB -0.460 37.339 38.000 -0.334 0.000 1.037 290 I HN 0.378 nan 8.210 nan 0.000 0.398 291 W N 0.439 121.887 121.300 0.247 0.000 2.436 291 W HA -0.032 4.628 4.660 -0.001 0.000 0.284 291 W C 2.484 179.232 176.519 0.381 0.000 1.225 291 W CA 0.496 58.008 57.345 0.279 0.000 1.271 291 W CB -0.378 29.213 29.460 0.220 0.000 1.114 291 W HN 0.146 nan 8.180 nan 0.000 0.559 292 G N -0.509 108.605 108.800 0.525 0.000 2.683 292 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.213 292 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.213 292 G C 1.046 176.000 174.900 0.090 0.000 1.142 292 G CA 0.681 45.964 45.100 0.305 0.000 0.793 292 G HN 0.249 nan 8.290 nan 0.000 0.534 293 E N -0.384 119.897 120.200 0.136 0.000 3.635 293 E HA 0.052 4.402 4.350 -0.001 0.000 0.183 293 E C 1.525 178.196 176.600 0.118 0.000 1.263 293 E CA -0.015 56.434 56.400 0.082 0.000 1.427 293 E CB 0.175 29.909 29.700 0.056 0.000 1.724 293 E HN 0.004 nan 8.360 nan 0.000 0.520 294 D N 1.375 121.837 120.400 0.103 0.000 2.133 294 D HA -0.167 4.472 4.640 -0.001 0.000 0.192 294 D C 1.481 177.908 176.300 0.212 0.000 1.001 294 D CA 1.435 55.500 54.000 0.108 0.000 0.844 294 D CB 0.079 40.900 40.800 0.035 0.000 0.944 294 D HN 0.106 nan 8.370 nan 0.000 0.447 295 L N -0.311 121.039 121.223 0.211 0.000 2.857 295 L HA 0.319 4.659 4.340 -0.001 0.000 0.249 295 L C 1.878 178.853 176.870 0.176 0.000 1.172 295 L CA -0.270 54.680 54.840 0.184 0.000 0.980 295 L CB 0.150 42.326 42.059 0.194 0.000 1.299 295 L HN -0.091 nan 8.230 nan 0.000 0.535 296 R N 1.055 121.716 120.500 0.269 0.000 2.139 296 R HA -0.229 4.111 4.340 -0.001 0.000 0.243 296 R C 2.434 178.815 176.300 0.135 0.000 1.145 296 R CA 2.131 58.364 56.100 0.220 0.000 0.976 296 R CB -0.229 30.107 30.300 0.061 0.000 0.866 296 R HN 0.575 nan 8.270 nan 0.000 0.449 297 H N -0.102 119.003 119.070 0.058 0.000 2.389 297 H HA -0.095 4.461 4.556 -0.001 0.000 0.299 297 H C 1.913 177.246 175.328 0.009 0.000 1.081 297 H CA 1.236 57.293 56.048 0.015 0.000 1.345 297 H CB -0.606 29.164 29.762 0.013 0.000 1.393 297 H HN 0.307 nan 8.280 nan 0.000 0.520 298 L N 0.186 121.087 121.223 -0.535 0.000 2.465 298 L HA 0.018 4.357 4.340 -0.001 0.000 0.224 298 L C 2.300 179.082 176.870 -0.148 0.000 1.145 298 L CA 0.436 55.091 54.840 -0.308 0.000 0.834 298 L CB -0.112 41.766 42.059 -0.302 0.000 0.944 298 L HN 0.201 nan 8.230 nan 0.000 0.451 299 I N -0.882 119.626 120.570 -0.103 0.000 2.685 299 I HA -0.117 4.052 4.170 -0.001 0.000 0.251 299 I C 2.315 178.152 176.117 -0.466 0.000 1.102 299 I CA 0.642 61.866 61.300 -0.128 0.000 1.442 299 I CB -0.079 37.981 38.000 0.101 0.000 1.194 299 I HN 0.054 nan 8.210 nan 0.000 0.448 300 V N -0.831 118.797 119.914 -0.476 0.000 3.026 300 V HA -0.140 3.979 4.120 -0.001 0.000 0.265 300 V C 2.195 177.913 176.094 -0.626 0.000 1.121 300 V CA 1.848 63.581 62.300 -0.945 0.000 1.142 300 V CB -1.178 30.480 31.823 -0.274 0.000 0.730 300 V HN 0.507 nan 8.190 nan 0.000 0.503 301 S N -0.851 114.646 115.700 -0.340 0.000 2.558 301 S HA 0.186 4.655 4.470 -0.001 0.000 0.217 301 S C 1.100 175.611 174.600 -0.148 0.000 0.975 301 S CA -0.319 57.776 58.200 -0.174 0.000 0.912 301 S CB -0.302 62.846 63.200 -0.088 0.000 0.776 301 S HN 0.665 nan 8.310 nan 0.000 0.526 302 R N 1.868 122.245 120.500 -0.205 0.000 2.641 302 R HA 0.375 4.714 4.340 -0.001 0.000 0.269 302 R C 0.485 176.788 176.300 0.006 0.000 1.074 302 R CA -0.017 56.033 56.100 -0.084 0.000 1.133 302 R CB 0.613 30.873 30.300 -0.067 0.000 1.029 302 R HN 0.313 nan 8.270 nan 0.000 0.488 303 S N -0.035 115.677 115.700 0.019 0.000 2.614 303 S HA 0.016 4.485 4.470 -0.001 0.000 0.265 303 S C 1.037 175.670 174.600 0.055 0.000 1.303 303 S CA -0.491 57.731 58.200 0.037 0.000 1.000 303 S CB 1.178 64.386 63.200 0.012 0.000 0.935 303 S HN 0.594 nan 8.310 nan 0.000 0.551 304 T N 2.731 117.312 114.554 0.044 0.000 2.995 304 T HA -0.009 4.340 4.350 -0.001 0.000 0.269 304 T C 1.342 176.035 174.700 -0.013 0.000 1.091 304 T CA 1.096 63.209 62.100 0.021 0.000 1.128 304 T CB -0.170 68.704 68.868 0.009 0.000 0.891 304 T HN 0.531 nan 8.240 nan 0.000 0.492 305 Q N 0.310 120.101 119.800 -0.015 0.000 2.403 305 Q HA 0.437 4.777 4.340 -0.001 0.000 0.203 305 Q C 0.851 176.827 176.000 -0.039 0.000 0.932 305 Q CA 0.139 55.921 55.803 -0.036 0.000 0.945 305 Q CB 0.520 29.239 28.738 -0.031 0.000 1.045 305 Q HN 0.424 nan 8.270 nan 0.000 0.511 306 A N 0.778 123.583 122.820 -0.026 0.000 3.415 306 A HA 0.349 4.668 4.320 -0.001 0.000 0.244 306 A C -2.621 174.943 177.584 -0.033 0.000 0.988 306 A CA -1.064 50.956 52.037 -0.029 0.000 0.991 306 A CB 0.294 19.288 19.000 -0.010 0.000 1.240 306 A HN -0.011 nan 8.150 nan 0.000 0.541 307 P HA 0.264 nan 4.420 nan 0.000 0.274 307 P C -0.302 176.924 177.300 -0.123 0.000 1.260 307 P CA -0.207 62.860 63.100 -0.054 0.000 0.793 307 P CB 0.951 32.605 31.700 -0.076 0.000 1.048 308 L N 1.075 122.190 121.223 -0.179 0.000 2.275 308 L HA 0.395 4.734 4.340 -0.001 0.000 0.288 308 L C -0.331 176.329 176.870 -0.350 0.000 1.046 308 L CA -0.347 54.302 54.840 -0.317 0.000 0.805 308 L CB -0.213 41.555 42.059 -0.485 0.000 1.193 308 L HN 0.178 nan 8.230 nan 0.000 0.426 309 I N 6.938 127.309 120.570 -0.332 0.000 2.337 309 I HA 0.294 4.464 4.170 -0.001 0.000 0.285 309 I C -0.179 175.734 176.117 -0.339 0.000 1.041 309 I CA -0.395 60.725 61.300 -0.301 0.000 1.199 309 I CB 0.738 38.602 38.000 -0.228 0.000 1.370 309 I HN 0.524 nan 8.210 nan 0.000 0.470 310 I N 6.324 126.668 120.570 -0.376 0.000 2.496 310 I HA 0.186 4.356 4.170 -0.001 0.000 0.285 310 I C 0.626 176.611 176.117 -0.219 0.000 1.080 310 I CA 0.075 61.175 61.300 -0.333 0.000 1.404 310 I CB 0.469 38.267 38.000 -0.336 0.000 1.403 310 I HN 0.565 nan 8.210 nan 0.000 0.539 311 R N 9.204 129.605 120.500 -0.164 0.000 2.422 311 R HA 0.442 4.782 4.340 -0.001 0.000 0.307 311 R C -2.773 173.479 176.300 -0.080 0.000 1.004 311 R CA -1.580 54.449 56.100 -0.119 0.000 0.882 311 R CB 1.613 31.850 30.300 -0.105 0.000 1.164 311 R HN 0.290 nan 8.270 nan 0.000 0.489 312 P HA 0.210 nan 4.420 nan 0.000 0.279 312 P C -0.944 176.353 177.300 -0.005 0.000 1.252 312 P CA -0.202 62.866 63.100 -0.052 0.000 0.811 312 P CB 1.420 33.075 31.700 -0.075 0.000 1.035 313 D N -0.451 119.966 120.400 0.028 0.000 2.865 313 D HA 0.227 4.867 4.640 -0.001 0.000 0.347 313 D C -0.880 175.454 176.300 0.057 0.000 1.498 313 D CA -0.082 53.964 54.000 0.078 0.000 0.787 313 D CB -0.027 40.880 40.800 0.178 0.000 1.190 313 D HN 0.410 nan 8.370 nan 0.000 0.445 314 S N -1.880 113.836 115.700 0.027 0.000 2.633 314 S HA 0.681 5.150 4.470 -0.001 0.000 0.271 314 S C 0.175 174.789 174.600 0.023 0.000 1.112 314 S CA -0.396 57.816 58.200 0.020 0.000 0.828 314 S CB 1.002 64.206 63.200 0.007 0.000 1.086 314 S HN 0.803 nan 8.310 nan 0.000 0.461 315 G N 1.418 110.240 108.800 0.037 0.000 2.756 315 G HA2 0.003 3.962 3.960 -0.001 0.000 0.678 315 G HA3 0.003 3.962 3.960 -0.001 0.000 0.678 315 G C -0.548 174.388 174.900 0.060 0.000 1.349 315 G CA -0.224 44.912 45.100 0.059 0.000 0.847 315 G HN 1.535 nan 8.290 nan 0.000 0.548 316 N N 1.160 119.902 118.700 0.070 0.000 2.411 316 N HA 0.341 5.080 4.740 -0.001 0.000 0.261 316 N C -0.507 175.041 175.510 0.063 0.000 1.248 316 N CA -0.447 52.640 53.050 0.061 0.000 0.885 316 N CB 0.998 39.521 38.487 0.061 0.000 1.062 316 N HN 0.186 nan 8.380 nan 0.000 0.471 317 P HA -0.222 nan 4.420 nan 0.000 0.214 317 P C 1.468 178.806 177.300 0.064 0.000 1.163 317 P CA 0.765 63.902 63.100 0.062 0.000 0.889 317 P CB 0.118 31.858 31.700 0.067 0.000 0.790 318 L N -0.039 121.221 121.223 0.062 0.000 2.027 318 L HA -0.148 4.191 4.340 -0.001 0.000 0.206 318 L C 1.428 178.333 176.870 0.057 0.000 1.074 318 L CA 2.341 57.217 54.840 0.060 0.000 0.745 318 L CB -1.372 40.720 42.059 0.054 0.000 0.898 318 L HN -0.028 nan 8.230 nan 0.000 0.433 319 D N -0.397 120.041 120.400 0.064 0.000 2.117 319 D HA -0.153 4.487 4.640 -0.001 0.000 0.197 319 D C 2.042 178.402 176.300 0.101 0.000 0.987 319 D CA 1.851 55.894 54.000 0.072 0.000 0.829 319 D CB -0.134 40.708 40.800 0.071 0.000 0.961 319 D HN 0.351 nan 8.370 nan 0.000 0.460 320 T N 0.794 115.425 114.554 0.128 0.000 2.746 320 T HA -0.087 4.262 4.350 -0.001 0.000 0.267 320 T C 2.276 177.040 174.700 0.107 0.000 1.039 320 T CA 0.614 62.827 62.100 0.188 0.000 1.142 320 T CB -0.287 68.645 68.868 0.107 0.000 0.866 320 T HN -0.028 nan 8.240 nan 0.000 0.444 321 V N 1.409 121.337 119.914 0.022 0.000 2.295 321 V HA -0.100 4.020 4.120 -0.001 0.000 0.246 321 V C 2.481 178.501 176.094 -0.122 0.000 1.049 321 V CA 1.438 63.697 62.300 -0.068 0.000 1.024 321 V CB -0.611 31.165 31.823 -0.079 0.000 0.648 321 V HN 0.438 nan 8.190 nan 0.000 0.447 322 L N -0.331 120.856 121.223 -0.061 0.000 2.046 322 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 322 L C 2.573 179.424 176.870 -0.033 0.000 1.077 322 L CA 1.888 56.685 54.840 -0.071 0.000 0.747 322 L CB -0.573 41.511 42.059 0.041 0.000 0.896 322 L HN 0.297 nan 8.230 nan 0.000 0.432 323 K N -0.096 120.325 120.400 0.035 0.000 2.097 323 K HA -0.115 4.205 4.320 -0.001 0.000 0.205 323 K C 1.960 178.623 176.600 0.106 0.000 1.050 323 K CA 0.906 57.224 56.287 0.051 0.000 0.938 323 K CB 0.165 32.652 32.500 -0.022 0.000 0.718 323 K HN 0.064 nan 8.250 nan 0.000 0.442 324 V N 1.500 121.487 119.914 0.121 0.000 2.548 324 V HA -0.190 3.929 4.120 -0.001 0.000 0.249 324 V C 2.105 178.153 176.094 -0.077 0.000 1.055 324 V CA 1.261 63.609 62.300 0.080 0.000 1.065 324 V CB -0.227 31.603 31.823 0.012 0.000 0.681 324 V HN 0.318 nan 8.190 nan 0.000 0.462 325 L N 0.379 121.442 121.223 -0.266 0.000 2.093 325 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 325 L C 2.672 179.387 176.870 -0.258 0.000 1.085 325 L CA 1.947 56.416 54.840 -0.618 0.000 0.755 325 L CB -0.557 40.644 42.059 -1.430 0.000 0.904 325 L HN 0.558 nan 8.230 nan 0.000 0.435 326 E N 0.773 120.998 120.200 0.042 0.000 2.072 326 E HA -0.192 4.157 4.350 -0.001 0.000 0.190 326 E C 2.184 178.909 176.600 0.208 0.000 0.982 326 E CA 1.060 57.624 56.400 0.274 0.000 0.803 326 E CB -0.345 29.491 29.700 0.226 0.000 0.755 326 E HN 0.413 nan 8.360 nan 0.000 0.453 327 I N 1.346 122.008 120.570 0.153 0.000 2.099 327 I HA -0.305 3.864 4.170 -0.001 0.000 0.239 327 I C 2.645 178.898 176.117 0.228 0.000 1.066 327 I CA 1.369 62.776 61.300 0.179 0.000 1.324 327 I CB -0.391 37.725 38.000 0.195 0.000 1.037 327 I HN 0.175 nan 8.210 nan 0.000 0.401 328 L N 0.494 121.837 121.223 0.199 0.000 2.187 328 L HA -0.164 4.175 4.340 -0.001 0.000 0.213 328 L C 2.584 179.661 176.870 0.345 0.000 1.100 328 L CA 1.390 56.384 54.840 0.256 0.000 0.765 328 L CB -1.146 40.913 42.059 -0.001 0.000 0.904 328 L HN 0.371 nan 8.230 nan 0.000 0.437 329 G N -0.054 108.933 108.800 0.312 0.000 2.448 329 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.218 329 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.218 329 G C 1.503 176.564 174.900 0.268 0.000 1.135 329 G CA 0.180 45.501 45.100 0.369 0.000 0.784 329 G HN 0.331 nan 8.290 nan 0.000 0.543 330 K N -0.122 120.418 120.400 0.233 0.000 2.446 330 K HA 0.192 4.511 4.320 -0.001 0.000 0.203 330 K C 0.919 177.599 176.600 0.133 0.000 1.027 330 K CA 0.013 56.395 56.287 0.159 0.000 1.166 330 K CB 0.455 33.033 32.500 0.131 0.000 0.869 330 K HN 0.012 nan 8.250 nan 0.000 0.504 331 K N -0.350 120.161 120.400 0.184 0.000 2.529 331 K HA 0.229 4.548 4.320 -0.001 0.000 0.215 331 K C -0.391 176.049 176.600 -0.268 0.000 1.286 331 K CA 0.259 56.550 56.287 0.006 0.000 0.997 331 K CB 0.806 33.361 32.500 0.091 0.000 1.063 331 K HN -0.070 nan 8.250 nan 0.000 0.590 332 F N 1.074 121.098 119.950 0.123 0.000 2.613 332 F HA 0.402 4.928 4.527 -0.001 0.000 0.314 332 F C -2.364 173.494 175.800 0.096 0.000 1.075 332 F CA -2.665 55.413 58.000 0.130 0.000 0.945 332 F CB 1.216 40.295 39.000 0.132 0.000 1.310 332 F HN -0.321 nan 8.300 nan 0.000 0.467 333 P HA 0.181 nan 4.420 nan 0.000 0.265 333 P C -0.989 176.380 177.300 0.115 0.000 1.222 333 P CA 0.115 63.303 63.100 0.147 0.000 0.767 333 P CB 0.490 32.267 31.700 0.128 0.000 0.801 334 V N 3.978 123.950 119.914 0.097 0.000 2.547 334 V HA 0.597 4.716 4.120 -0.001 0.000 0.299 334 V C 0.687 176.795 176.094 0.023 0.000 1.040 334 V CA -0.247 62.097 62.300 0.075 0.000 0.913 334 V CB 1.880 33.754 31.823 0.085 0.000 0.992 334 V HN 0.635 nan 8.190 nan 0.000 0.449 340 G N 0.095 108.961 108.800 0.110 0.000 2.163 340 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.213 340 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.213 340 G C -0.707 174.098 174.900 -0.159 0.000 0.991 340 G CA 0.277 45.367 45.100 -0.016 0.000 0.653 340 G HN 0.100 nan 8.290 nan 0.000 0.518 341 Y N 0.888 121.162 120.300 -0.044 0.000 2.393 341 Y HA 0.593 5.142 4.550 -0.001 0.000 0.341 341 Y C 0.924 176.778 175.900 -0.076 0.000 0.988 341 Y CA -1.055 57.012 58.100 -0.055 0.000 1.078 341 Y CB 1.248 39.712 38.460 0.005 0.000 1.203 341 Y HN 0.030 nan 8.280 nan 0.000 0.453 342 K N 2.280 122.630 120.400 -0.084 0.000 2.494 342 K HA 0.256 4.575 4.320 -0.001 0.000 0.273 342 K C -1.168 175.488 176.600 0.092 0.000 0.970 342 K CA 0.075 56.267 56.287 -0.158 0.000 0.963 342 K CB 0.398 32.474 32.500 -0.706 0.000 0.913 342 K HN 0.461 nan 8.250 nan 0.000 0.502 343 L N 2.780 124.064 121.223 0.102 0.000 2.482 343 L HA 0.347 4.686 4.340 -0.001 0.000 0.263 343 L C -1.400 175.539 176.870 0.115 0.000 0.957 343 L CA -0.438 54.485 54.840 0.138 0.000 0.836 343 L CB 1.482 43.582 42.059 0.068 0.000 1.324 343 L HN 0.491 nan 8.230 nan 0.000 0.406 344 L N 4.204 125.479 121.223 0.086 0.000 2.456 344 L HA 0.551 4.891 4.340 -0.001 0.000 0.257 344 L C -1.914 174.863 176.870 -0.156 0.000 1.162 344 L CA -1.900 52.930 54.840 -0.016 0.000 0.808 344 L CB 0.215 42.218 42.059 -0.094 0.000 1.136 344 L HN 0.479 nan 8.230 nan 0.000 0.466 345 P HA -0.029 nan 4.420 nan 0.000 0.267 345 P C -1.969 175.016 177.300 -0.525 0.000 1.201 345 P CA -0.757 62.014 63.100 -0.548 0.000 0.775 345 P CB -0.034 30.933 31.700 -1.222 0.000 0.854 346 P HA -0.146 nan 4.420 nan 0.000 0.231 346 P C 0.428 177.644 177.300 -0.140 0.000 1.158 346 P CA 1.402 64.392 63.100 -0.183 0.000 0.763 346 P CB -0.333 31.321 31.700 -0.077 0.000 0.805 347 Y N -1.861 118.402 120.300 -0.062 0.000 2.457 347 Y HA 0.575 5.124 4.550 -0.001 0.000 0.263 347 Y C 0.326 176.125 175.900 -0.167 0.000 1.164 347 Y CA -1.501 56.545 58.100 -0.090 0.000 1.274 347 Y CB -0.518 37.911 38.460 -0.050 0.000 1.097 347 Y HN -0.230 nan 8.280 nan 0.000 0.523 348 L N 1.708 122.796 121.223 -0.225 0.000 2.410 348 L HA 0.716 5.055 4.340 -0.001 0.000 0.270 348 L C -1.152 175.547 176.870 -0.286 0.000 0.983 348 L CA -1.069 53.604 54.840 -0.278 0.000 0.822 348 L CB 1.589 43.383 42.059 -0.441 0.000 1.285 348 L HN 0.033 nan 8.230 nan 0.000 0.409 349 R N 2.720 123.051 120.500 -0.282 0.000 2.831 349 R HA 0.828 5.167 4.340 -0.001 0.000 0.266 349 R C -1.710 174.424 176.300 -0.278 0.000 1.051 349 R CA -0.822 55.129 56.100 -0.247 0.000 0.943 349 R CB 2.277 32.459 30.300 -0.197 0.000 1.228 349 R HN 0.406 nan 8.270 nan 0.000 0.467 350 V N 1.583 121.340 119.914 -0.262 0.000 2.841 350 V HA 0.564 4.683 4.120 -0.001 0.000 0.310 350 V C -0.541 175.377 176.094 -0.294 0.000 1.090 350 V CA -0.841 61.292 62.300 -0.277 0.000 0.930 350 V CB 2.592 34.243 31.823 -0.287 0.000 1.014 350 V HN 0.635 nan 8.190 nan 0.000 0.425 351 I N 3.273 123.683 120.570 -0.267 0.000 2.447 351 I HA 0.512 4.681 4.170 -0.001 0.000 0.287 351 I C -0.742 175.236 176.117 -0.232 0.000 1.023 351 I CA -0.653 60.480 61.300 -0.277 0.000 1.083 351 I CB 1.841 39.732 38.000 -0.183 0.000 1.245 351 I HN 0.753 nan 8.210 nan 0.000 0.434 352 Q N 5.869 125.473 119.800 -0.325 0.000 2.406 352 Q HA 0.426 4.765 4.340 -0.001 0.000 0.242 352 Q C 0.074 176.055 176.000 -0.032 0.000 1.036 352 Q CA -0.130 55.578 55.803 -0.157 0.000 0.904 352 Q CB 1.273 29.921 28.738 -0.150 0.000 1.244 352 Q HN 0.745 nan 8.270 nan 0.000 0.478 353 G N 3.113 111.943 108.800 0.050 0.000 3.936 353 G HA2 0.244 4.203 3.960 -0.001 0.000 0.296 353 G HA3 0.244 4.203 3.960 -0.001 0.000 0.296 353 G C -0.777 174.233 174.900 0.182 0.000 1.121 353 G CA -0.267 44.924 45.100 0.152 0.000 0.899 353 G HN 0.604 nan 8.290 nan 0.000 0.542 354 D N -1.793 118.673 120.400 0.111 0.000 2.756 354 D HA 0.462 5.101 4.640 -0.001 0.000 0.226 354 D C 0.948 177.292 176.300 0.074 0.000 1.186 354 D CA 0.400 54.459 54.000 0.098 0.000 0.845 354 D CB 1.322 42.172 40.800 0.083 0.000 1.610 354 D HN 0.269 nan 8.370 nan 0.000 0.465 355 G N 1.153 109.990 108.800 0.061 0.000 2.233 355 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.270 355 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.270 355 G C 0.074 174.994 174.900 0.034 0.000 1.011 355 G CA 0.538 45.665 45.100 0.045 0.000 0.762 355 G HN 0.517 nan 8.290 nan 0.000 0.511 356 V N 1.480 121.413 119.914 0.031 0.000 2.383 356 V HA 0.609 4.728 4.120 -0.001 0.000 0.275 356 V C 0.220 176.292 176.094 -0.036 0.000 1.036 356 V CA 0.203 62.500 62.300 -0.006 0.000 0.889 356 V CB 1.432 33.258 31.823 0.006 0.000 0.985 356 V HN 0.634 nan 8.190 nan 0.000 0.459 357 D N 3.210 123.578 120.400 -0.053 0.000 2.652 357 D HA 0.307 4.946 4.640 -0.001 0.000 0.285 357 D C 0.768 177.028 176.300 -0.067 0.000 1.173 357 D CA -0.852 53.124 54.000 -0.040 0.000 0.981 357 D CB 1.014 41.813 40.800 -0.000 0.000 1.440 357 D HN 0.239 nan 8.370 nan 0.000 0.485 358 I N 0.459 121.012 120.570 -0.027 0.000 2.145 358 I HA -0.283 3.886 4.170 -0.001 0.000 0.244 358 I C 1.180 177.253 176.117 -0.073 0.000 1.075 358 I CA 1.946 63.224 61.300 -0.037 0.000 1.332 358 I CB -0.595 37.429 38.000 0.040 0.000 1.033 358 I HN 0.373 nan 8.210 nan 0.000 0.410 359 N N 0.090 118.765 118.700 -0.043 0.000 2.080 359 N HA -0.142 4.598 4.740 -0.001 0.000 0.189 359 N C 1.939 177.406 175.510 -0.072 0.000 1.036 359 N CA 2.290 55.310 53.050 -0.050 0.000 0.846 359 N CB -1.041 37.436 38.487 -0.016 0.000 1.015 359 N HN 0.622 nan 8.380 nan 0.000 0.423 360 T N -0.312 114.203 114.554 -0.065 0.000 2.962 360 T HA 0.005 4.355 4.350 -0.001 0.000 0.270 360 T C 2.031 176.651 174.700 -0.134 0.000 1.088 360 T CA 0.385 62.446 62.100 -0.065 0.000 1.127 360 T CB -0.360 68.491 68.868 -0.028 0.000 0.883 360 T HN 0.111 nan 8.240 nan 0.000 0.493 361 L N 0.327 121.418 121.223 -0.221 0.000 2.027 361 L HA -0.105 4.235 4.340 -0.001 0.000 0.206 361 L C 2.987 179.622 176.870 -0.392 0.000 1.074 361 L CA 1.930 56.508 54.840 -0.438 0.000 0.745 361 L CB -0.456 41.320 42.059 -0.471 0.000 0.898 361 L HN 0.306 nan 8.230 nan 0.000 0.433 362 Q N 0.524 120.158 119.800 -0.277 0.000 2.061 362 Q HA -0.272 4.068 4.340 -0.001 0.000 0.204 362 Q C 1.856 177.710 176.000 -0.243 0.000 0.984 362 Q CA 2.290 57.928 55.803 -0.274 0.000 0.846 362 Q CB -0.192 28.452 28.738 -0.158 0.000 0.902 362 Q HN 0.569 nan 8.270 nan 0.000 0.421 363 E N -0.089 120.027 120.200 -0.141 0.000 2.058 363 E HA -0.178 4.171 4.350 -0.001 0.000 0.194 363 E C 2.161 178.725 176.600 -0.060 0.000 0.997 363 E CA 1.486 57.843 56.400 -0.072 0.000 0.801 363 E CB -0.308 29.373 29.700 -0.032 0.000 0.746 363 E HN 0.455 nan 8.360 nan 0.000 0.450 364 I N 1.461 121.995 120.570 -0.059 0.000 2.226 364 I HA -0.241 3.928 4.170 -0.001 0.000 0.245 364 I C 2.757 178.891 176.117 0.027 0.000 1.100 364 I CA 1.122 62.440 61.300 0.032 0.000 1.374 364 I CB -0.545 37.550 38.000 0.159 0.000 1.057 364 I HN 0.084 nan 8.210 nan 0.000 0.413 365 V N -0.929 118.910 119.914 -0.126 0.000 2.515 365 V HA -0.206 3.913 4.120 -0.001 0.000 0.250 365 V C 2.361 178.339 176.094 -0.192 0.000 1.058 365 V CA 2.012 64.196 62.300 -0.193 0.000 1.064 365 V CB -0.727 30.767 31.823 -0.548 0.000 0.675 365 V HN 0.376 nan 8.190 nan 0.000 0.461 366 E N 2.178 122.237 120.200 -0.236 0.000 2.047 366 E HA 0.020 4.370 4.350 -0.001 0.000 0.191 366 E C 2.196 178.886 176.600 0.150 0.000 0.987 366 E CA 1.919 58.359 56.400 0.066 0.000 0.799 366 E CB -1.132 28.595 29.700 0.046 0.000 0.752 366 E HN 0.533 nan 8.360 nan 0.000 0.449 367 G N 0.477 109.334 108.800 0.095 0.000 2.440 367 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.218 367 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.218 367 G C 1.673 176.684 174.900 0.185 0.000 1.154 367 G CA 1.194 46.368 45.100 0.124 0.000 0.767 367 G HN 0.278 nan 8.290 nan 0.000 0.552 368 M N -0.001 119.718 119.600 0.198 0.000 2.159 368 M HA -0.005 4.474 4.480 -0.001 0.000 0.263 368 M C 2.548 179.075 176.300 0.378 0.000 1.063 368 M CA 1.138 56.615 55.300 0.295 0.000 1.110 368 M CB -0.191 32.557 32.600 0.248 0.000 1.374 368 M HN 0.116 nan 8.290 nan 0.000 0.411 369 K N 0.916 121.524 120.400 0.347 0.000 2.026 369 K HA -0.189 4.130 4.320 -0.001 0.000 0.208 369 K C 1.723 178.524 176.600 0.334 0.000 1.048 369 K CA 1.739 58.274 56.287 0.413 0.000 0.929 369 K CB -0.229 32.522 32.500 0.419 0.000 0.713 369 K HN 0.478 nan 8.250 nan 0.000 0.439 370 Q N 0.036 119.982 119.800 0.243 0.000 2.226 370 Q HA -0.084 4.255 4.340 -0.001 0.000 0.204 370 Q C 1.471 177.549 176.000 0.131 0.000 0.975 370 Q CA 0.976 56.876 55.803 0.160 0.000 0.866 370 Q CB 0.103 28.922 28.738 0.134 0.000 0.915 370 Q HN 0.086 nan 8.270 nan 0.000 0.440 371 K N -0.166 120.354 120.400 0.200 0.000 2.444 371 K HA 0.108 4.427 4.320 -0.001 0.000 0.193 371 K C 0.246 176.859 176.600 0.021 0.000 1.024 371 K CA 0.050 56.452 56.287 0.193 0.000 1.077 371 K CB 0.505 33.264 32.500 0.431 0.000 0.833 371 K HN 0.207 nan 8.250 nan 0.000 0.517 372 M N -1.289 118.332 119.600 0.034 0.000 2.818 372 M HA -0.198 4.281 4.480 -0.001 0.000 0.204 372 M C -1.124 175.134 176.300 -0.069 0.000 0.552 372 M CA 0.754 55.955 55.300 -0.166 0.000 0.687 372 M CB -2.404 29.960 32.600 -0.393 0.000 2.512 372 M HN 0.157 nan 8.290 nan 0.000 0.563 373 W N 0.183 121.626 121.300 0.238 0.000 2.438 373 W HA 0.557 5.216 4.660 -0.001 0.000 0.324 373 W C 0.941 177.618 176.519 0.263 0.000 1.119 373 W CA -0.306 57.161 57.345 0.202 0.000 1.221 373 W CB 1.081 30.611 29.460 0.117 0.000 1.253 373 W HN 0.163 nan 8.180 nan 0.000 0.555 374 S N 2.801 118.768 115.700 0.445 0.000 2.584 374 S HA 0.156 4.626 4.470 -0.001 0.000 0.273 374 S C 1.208 175.921 174.600 0.189 0.000 1.311 374 S CA -0.627 57.717 58.200 0.240 0.000 1.034 374 S CB 0.447 63.752 63.200 0.176 0.000 0.939 374 S HN 0.401 nan 8.310 nan 0.000 0.513 375 I N 3.731 124.373 120.570 0.119 0.000 2.493 375 I HA -0.117 4.052 4.170 -0.001 0.000 0.254 375 I C 2.268 178.431 176.117 0.077 0.000 1.160 375 I CA 1.139 62.511 61.300 0.120 0.000 1.445 375 I CB -1.499 36.584 38.000 0.139 0.000 1.086 375 I HN 0.845 nan 8.210 nan 0.000 0.433 376 E N 0.616 120.853 120.200 0.061 0.000 2.455 376 E HA -0.217 4.133 4.350 -0.001 0.000 0.202 376 E C 1.304 177.907 176.600 0.005 0.000 1.045 376 E CA 1.161 57.581 56.400 0.034 0.000 0.872 376 E CB -0.720 28.997 29.700 0.028 0.000 0.792 376 E HN 0.620 nan 8.360 nan 0.000 0.542 377 N N 0.174 118.883 118.700 0.015 0.000 2.376 377 N HA 0.143 4.882 4.740 -0.001 0.000 0.177 377 N C 0.444 175.878 175.510 -0.126 0.000 1.024 377 N CA 0.181 53.210 53.050 -0.035 0.000 0.893 377 N CB 0.477 38.979 38.487 0.025 0.000 0.980 377 N HN 0.155 nan 8.380 nan 0.000 0.439 378 I N -0.212 120.276 120.570 -0.136 0.000 3.002 378 I HA 0.614 4.783 4.170 -0.001 0.000 0.310 378 I C -1.549 174.393 176.117 -0.292 0.000 1.087 378 I CA -0.881 60.247 61.300 -0.286 0.000 1.017 378 I CB 1.927 39.675 38.000 -0.421 0.000 1.226 378 I HN -0.152 nan 8.210 nan 0.000 0.443 379 A N 4.347 126.897 122.820 -0.451 0.000 2.527 379 A HA 0.844 5.163 4.320 -0.001 0.000 0.293 379 A C -1.869 175.362 177.584 -0.588 0.000 1.117 379 A CA -0.373 51.486 52.037 -0.298 0.000 0.723 379 A CB 1.264 20.178 19.000 -0.143 0.000 1.313 379 A HN 0.507 nan 8.150 nan 0.000 0.411 380 F N -0.239 119.630 119.950 -0.136 0.000 2.551 380 F HA 0.647 5.173 4.527 -0.001 0.000 0.316 380 F C 0.749 176.349 175.800 -0.333 0.000 1.089 380 F CA -0.467 57.416 58.000 -0.195 0.000 0.915 380 F CB 2.729 41.623 39.000 -0.177 0.000 1.186 380 F HN 0.737 nan 8.300 nan 0.000 0.456 381 G N 0.537 109.168 108.800 -0.282 0.000 2.487 381 G HA2 0.493 4.452 3.960 -0.001 0.000 0.314 381 G HA3 0.493 4.452 3.960 -0.001 0.000 0.314 381 G C -1.441 173.136 174.900 -0.539 0.000 1.267 381 G CA -0.618 43.926 45.100 -0.927 0.000 0.937 381 G HN 0.578 nan 8.290 nan 0.000 0.481 382 S N 1.214 116.624 115.700 -0.482 0.000 2.561 382 S HA 0.735 5.205 4.470 -0.001 0.000 0.303 382 S C 0.830 175.363 174.600 -0.112 0.000 1.110 382 S CA 0.085 58.160 58.200 -0.208 0.000 1.034 382 S CB 1.374 64.454 63.200 -0.200 0.000 1.010 382 S HN 0.842 nan 8.310 nan 0.000 0.482 383 G N 3.313 112.134 108.800 0.036 0.000 2.601 383 G HA2 0.337 4.297 3.960 -0.001 0.000 0.214 383 G HA3 0.337 4.297 3.960 -0.001 0.000 0.214 383 G C 1.312 176.245 174.900 0.055 0.000 2.067 383 G CA 0.411 45.569 45.100 0.097 0.000 0.774 383 G HN 0.916 nan 8.290 nan 0.000 0.729 384 G N 0.663 109.505 108.800 0.071 0.000 2.469 384 G HA2 0.018 3.977 3.960 -0.001 0.000 0.220 384 G HA3 0.018 3.977 3.960 -0.001 0.000 0.220 384 G C 1.740 176.673 174.900 0.055 0.000 1.136 384 G CA 1.649 46.789 45.100 0.066 0.000 0.759 384 G HN 0.771 nan 8.290 nan 0.000 0.562 385 G N 0.152 108.974 108.800 0.036 0.000 2.432 385 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.219 385 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.219 385 G C 1.631 176.543 174.900 0.019 0.000 1.135 385 G CA 0.650 45.767 45.100 0.029 0.000 0.767 385 G HN 0.378 nan 8.290 nan 0.000 0.550 386 L N -0.454 120.760 121.223 -0.016 0.000 2.068 386 L HA 0.266 4.606 4.340 -0.001 0.000 0.204 386 L C 2.333 179.196 176.870 -0.012 0.000 1.076 386 L CA 1.211 56.019 54.840 -0.054 0.000 0.753 386 L CB -0.070 41.884 42.059 -0.174 0.000 0.910 386 L HN 0.239 nan 8.230 nan 0.000 0.439 387 L N -1.674 119.568 121.223 0.031 0.000 2.701 387 L HA 0.077 4.416 4.340 -0.001 0.000 0.238 387 L C 1.809 178.818 176.870 0.232 0.000 1.106 387 L CA -0.078 54.829 54.840 0.113 0.000 0.898 387 L CB 0.320 42.438 42.059 0.097 0.000 1.188 387 L HN 0.219 nan 8.230 nan 0.000 0.508 388 Q N 0.847 120.743 119.800 0.160 0.000 2.532 388 Q HA 0.073 4.412 4.340 -0.001 0.000 0.247 388 Q C 1.063 177.159 176.000 0.160 0.000 0.872 388 Q CA 0.660 56.556 55.803 0.155 0.000 0.963 388 Q CB 0.506 29.303 28.738 0.098 0.000 1.159 388 Q HN 0.053 nan 8.270 nan 0.000 0.598 389 K N 1.282 121.758 120.400 0.126 0.000 2.449 389 K HA 0.251 4.570 4.320 -0.001 0.000 0.237 389 K C -1.187 175.496 176.600 0.139 0.000 1.265 389 K CA 0.094 56.448 56.287 0.112 0.000 1.193 389 K CB -0.751 31.797 32.500 0.079 0.000 1.515 389 K HN 0.168 nan 8.250 nan 0.000 0.259 390 L N 0.343 121.689 121.223 0.205 0.000 2.518 390 L HA 0.439 4.778 4.340 -0.001 0.000 0.257 390 L C -0.394 176.667 176.870 0.318 0.000 0.980 390 L CA -0.940 54.054 54.840 0.257 0.000 0.837 390 L CB 2.467 44.731 42.059 0.342 0.000 1.410 390 L HN 0.313 nan 8.230 nan 0.000 0.410 391 T N -3.111 111.521 114.554 0.130 0.000 2.812 391 T HA 0.396 4.745 4.350 -0.001 0.000 0.294 391 T C 0.415 174.731 174.700 -0.640 0.000 1.159 391 T CA -0.828 61.107 62.100 -0.275 0.000 1.008 391 T CB 2.200 70.949 68.868 -0.198 0.000 1.289 391 T HN 0.598 nan 8.240 nan 0.000 0.514 392 R N 0.038 119.842 120.500 -1.160 0.000 2.193 392 R HA -0.079 4.260 4.340 -0.001 0.000 0.229 392 R C 1.321 177.414 176.300 -0.345 0.000 1.110 392 R CA 1.627 57.195 56.100 -0.887 0.000 0.988 392 R CB -0.402 29.353 30.300 -0.908 0.000 0.871 392 R HN 0.637 nan 8.270 nan 0.000 0.458 393 D N 0.511 120.747 120.400 -0.273 0.000 2.123 393 D HA -0.197 4.442 4.640 -0.001 0.000 0.196 393 D C 1.800 178.042 176.300 -0.097 0.000 0.992 393 D CA 0.840 54.752 54.000 -0.146 0.000 0.833 393 D CB -0.145 40.590 40.800 -0.108 0.000 0.954 393 D HN 0.140 nan 8.370 nan 0.000 0.455 394 L N 0.561 121.724 121.223 -0.099 0.000 2.034 394 L HA -0.184 4.155 4.340 -0.001 0.000 0.217 394 L C 1.989 178.786 176.870 -0.123 0.000 1.077 394 L CA 1.732 56.504 54.840 -0.114 0.000 0.769 394 L CB -0.344 41.614 42.059 -0.169 0.000 0.890 394 L HN 0.062 nan 8.230 nan 0.000 0.435 395 L N -1.138 120.035 121.223 -0.084 0.000 2.808 395 L HA 0.210 4.549 4.340 -0.001 0.000 0.246 395 L C 0.193 177.044 176.870 -0.031 0.000 1.153 395 L CA -0.174 54.644 54.840 -0.037 0.000 0.956 395 L CB -0.092 41.973 42.059 0.011 0.000 1.270 395 L HN 0.275 nan 8.230 nan 0.000 0.528 396 N N 0.249 118.913 118.700 -0.060 0.000 2.714 396 N HA -0.166 4.573 4.740 -0.001 0.000 0.253 396 N C -0.188 175.240 175.510 -0.137 0.000 1.024 396 N CA 0.538 53.534 53.050 -0.089 0.000 0.726 396 N CB -1.823 36.623 38.487 -0.068 0.000 0.908 396 N HN 0.290 nan 8.380 nan 0.000 0.542 397 C N 0.876 120.110 119.300 -0.110 0.000 2.619 397 C HA 0.387 4.846 4.460 -0.001 0.000 0.389 397 C C 1.309 176.141 174.990 -0.264 0.000 1.314 397 C CA -0.156 58.746 59.018 -0.192 0.000 1.678 397 C CB -0.360 27.542 27.740 0.270 0.000 2.398 397 C HN 0.448 nan 8.230 nan 0.000 0.582 398 S N 2.225 117.603 115.700 -0.537 0.000 2.549 398 S HA 0.752 5.222 4.470 -0.001 0.000 0.280 398 S C -1.248 173.137 174.600 -0.360 0.000 1.109 398 S CA -0.415 57.604 58.200 -0.301 0.000 0.905 398 S CB 0.990 64.056 63.200 -0.224 0.000 1.081 398 S HN 0.567 nan 8.310 nan 0.000 0.477 399 F N 3.322 123.150 119.950 -0.204 0.000 2.449 399 F HA 0.694 5.220 4.527 -0.001 0.000 0.342 399 F C -0.363 175.341 175.800 -0.161 0.000 1.127 399 F CA -0.286 57.626 58.000 -0.147 0.000 0.975 399 F CB 0.899 39.972 39.000 0.122 0.000 1.146 399 F HN 0.523 nan 8.300 nan 0.000 0.444 400 K N 4.835 124.859 120.400 -0.626 0.000 2.508 400 K HA 0.409 4.728 4.320 -0.001 0.000 0.260 400 K C -1.707 174.799 176.600 -0.157 0.000 0.949 400 K CA -0.992 55.138 56.287 -0.263 0.000 0.834 400 K CB 2.116 34.536 32.500 -0.134 0.000 1.365 400 K HN 0.634 nan 8.250 nan 0.000 0.437 401 C N 2.113 121.453 119.300 0.067 0.000 2.482 401 C HA 0.278 4.737 4.460 -0.001 0.000 0.378 401 C C 1.463 176.608 174.990 0.257 0.000 1.284 401 C CA 0.088 59.205 59.018 0.164 0.000 1.826 401 C CB -0.989 26.869 27.740 0.196 0.000 2.473 401 C HN 0.918 nan 8.230 nan 0.000 0.562 402 S N 3.744 119.647 115.700 0.338 0.000 2.554 402 S HA 0.217 4.686 4.470 -0.001 0.000 0.227 402 S C -0.279 174.536 174.600 0.358 0.000 1.050 402 S CA -0.069 58.329 58.200 0.330 0.000 0.927 402 S CB 0.051 63.391 63.200 0.233 0.000 0.859 402 S HN 0.886 nan 8.310 nan 0.000 0.494 403 Y N 0.875 121.313 120.300 0.230 0.000 2.433 403 Y HA 0.686 5.235 4.550 -0.001 0.000 0.337 403 Y C -1.488 174.489 175.900 0.128 0.000 1.026 403 Y CA -1.163 57.002 58.100 0.107 0.000 1.037 403 Y CB 1.931 40.339 38.460 -0.086 0.000 1.245 403 Y HN 0.032 nan 8.280 nan 0.000 0.443 404 V N 5.384 125.015 119.914 -0.473 0.000 3.078 404 V HA 0.623 4.743 4.120 -0.001 0.000 0.311 404 V C -1.317 174.430 176.094 -0.579 0.000 1.138 404 V CA -1.020 61.048 62.300 -0.386 0.000 1.007 404 V CB 2.305 34.058 31.823 -0.116 0.000 1.045 404 V HN 0.524 nan 8.190 nan 0.000 0.432 405 V N 2.010 121.706 119.914 -0.364 0.000 2.349 405 V HA 0.568 4.687 4.120 -0.001 0.000 0.284 405 V C -0.218 175.777 176.094 -0.165 0.000 1.014 405 V CA -0.168 61.969 62.300 -0.273 0.000 0.826 405 V CB 1.738 33.438 31.823 -0.205 0.000 1.009 405 V HN 1.005 nan 8.190 nan 0.000 0.431 406 T N 3.958 118.432 114.554 -0.134 0.000 2.863 406 T HA 0.423 4.772 4.350 -0.001 0.000 0.285 406 T C 0.359 175.011 174.700 -0.079 0.000 1.009 406 T CA -0.556 61.482 62.100 -0.105 0.000 0.989 406 T CB 1.134 69.950 68.868 -0.086 0.000 1.004 406 T HN 0.653 nan 8.240 nan 0.000 0.455 407 N N 1.479 120.136 118.700 -0.072 0.000 2.727 407 N HA -0.245 4.494 4.740 -0.001 0.000 0.249 407 N C 1.163 176.647 175.510 -0.043 0.000 1.048 407 N CA 1.394 54.413 53.050 -0.053 0.000 0.714 407 N CB -1.261 37.199 38.487 -0.044 0.000 0.959 407 N HN 1.336 nan 8.380 nan 0.000 0.544 408 G N -1.587 107.185 108.800 -0.047 0.000 2.212 408 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.266 408 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.266 408 G C -0.104 174.779 174.900 -0.028 0.000 0.978 408 G CA 0.630 45.710 45.100 -0.032 0.000 0.632 408 G HN 0.471 nan 8.290 nan 0.000 0.537 409 L N 1.283 122.482 121.223 -0.039 0.000 2.341 409 L HA 0.746 5.085 4.340 -0.001 0.000 0.278 409 L C 0.601 177.434 176.870 -0.062 0.000 1.005 409 L CA 0.269 55.092 54.840 -0.028 0.000 0.818 409 L CB 1.271 43.321 42.059 -0.016 0.000 1.259 409 L HN 0.266 nan 8.230 nan 0.000 0.418 410 G N 5.864 114.646 108.800 -0.030 0.000 2.339 410 G HA2 0.543 4.502 3.960 -0.001 0.000 0.287 410 G HA3 0.543 4.502 3.960 -0.001 0.000 0.287 410 G C -0.465 174.453 174.900 0.029 0.000 1.163 410 G CA -0.473 44.546 45.100 -0.136 0.000 0.872 410 G HN 0.694 nan 8.290 nan 0.000 0.464 411 I N -0.360 120.165 120.570 -0.075 0.000 2.569 411 I HA 0.490 4.660 4.170 -0.001 0.000 0.296 411 I C -0.925 175.268 176.117 0.128 0.000 1.028 411 I CA -1.459 59.870 61.300 0.049 0.000 1.082 411 I CB 2.347 40.342 38.000 -0.009 0.000 1.264 411 I HN 0.140 nan 8.210 nan 0.000 0.429 412 N N 5.178 123.994 118.700 0.193 0.000 2.470 412 N HA 0.404 5.143 4.740 -0.001 0.000 0.268 412 N C -0.197 175.411 175.510 0.164 0.000 1.136 412 N CA -0.239 52.953 53.050 0.237 0.000 0.961 412 N CB 1.875 40.486 38.487 0.206 0.000 1.067 412 N HN 0.636 nan 8.380 nan 0.000 0.468 413 V N -0.544 119.469 119.914 0.165 0.000 3.113 413 V HA 0.981 5.100 4.120 -0.001 0.000 0.316 413 V C -0.587 175.604 176.094 0.162 0.000 1.125 413 V CA -0.857 61.450 62.300 0.011 0.000 1.026 413 V CB 1.566 33.388 31.823 -0.002 0.000 1.080 413 V HN 0.625 nan 8.190 nan 0.000 0.444 414 F N -1.054 118.939 119.950 0.072 0.000 2.952 414 F HA 0.701 5.227 4.527 -0.001 0.000 0.329 414 F C -1.214 174.618 175.800 0.054 0.000 1.137 414 F CA -1.273 56.772 58.000 0.075 0.000 0.889 414 F CB 0.927 39.965 39.000 0.063 0.000 1.335 414 F HN 0.857 nan 8.300 nan 0.000 0.449 415 K N 0.118 120.749 120.400 0.385 0.000 2.221 415 K HA 0.762 5.082 4.320 -0.001 0.000 0.243 415 K C -1.782 175.035 176.600 0.361 0.000 0.968 415 K CA -0.687 55.751 56.287 0.251 0.000 0.846 415 K CB 2.361 34.945 32.500 0.141 0.000 1.141 415 K HN 0.779 nan 8.250 nan 0.000 0.434 416 D N 1.552 122.098 120.400 0.243 0.000 3.036 416 D HA 0.250 4.890 4.640 -0.001 0.000 0.244 416 D C -2.625 173.741 176.300 0.110 0.000 1.337 416 D CA -0.899 53.212 54.000 0.185 0.000 0.829 416 D CB 0.605 41.559 40.800 0.258 0.000 1.478 416 D HN 0.386 nan 8.370 nan 0.000 0.570 417 P HA 0.000 nan 4.420 nan 0.000 0.263 417 P C 1.107 178.431 177.300 0.040 0.000 1.195 417 P CA -0.376 62.754 63.100 0.050 0.000 0.762 417 P CB 1.483 33.207 31.700 0.039 0.000 0.799 418 V N 4.026 123.961 119.914 0.035 0.000 2.282 418 V HA -0.295 3.824 4.120 -0.001 0.000 0.249 418 V C 1.846 177.952 176.094 0.020 0.000 1.057 418 V CA 2.702 65.018 62.300 0.027 0.000 1.032 418 V CB -1.047 30.789 31.823 0.023 0.000 0.645 418 V HN 0.672 nan 8.190 nan 0.000 0.447 419 A N -1.263 121.567 122.820 0.017 0.000 2.239 419 A HA 0.013 4.333 4.320 -0.001 0.000 0.209 419 A C 1.088 178.679 177.584 0.012 0.000 1.171 419 A CA 1.191 53.236 52.037 0.013 0.000 0.768 419 A CB -0.242 18.764 19.000 0.010 0.000 0.790 419 A HN 0.645 nan 8.150 nan 0.000 0.478 420 D N -1.665 118.744 120.400 0.015 0.000 2.472 420 D HA 0.277 4.916 4.640 -0.001 0.000 0.248 420 D C -2.429 173.879 176.300 0.014 0.000 1.271 420 D CA -1.352 52.656 54.000 0.012 0.000 0.888 420 D CB 1.085 41.891 40.800 0.011 0.000 1.337 420 D HN -0.085 nan 8.370 nan 0.000 0.526 421 P HA -0.088 nan 4.420 nan 0.000 0.220 421 P C 1.235 178.538 177.300 0.005 0.000 1.144 421 P CA 0.725 63.830 63.100 0.008 0.000 0.800 421 P CB 0.391 32.093 31.700 0.003 0.000 0.772 422 N N -0.303 118.400 118.700 0.005 0.000 2.223 422 N HA -0.121 4.618 4.740 -0.001 0.000 0.185 422 N C 1.147 176.659 175.510 0.002 0.000 1.016 422 N CA 1.076 54.127 53.050 0.002 0.000 0.863 422 N CB -0.255 38.232 38.487 0.000 0.000 0.983 422 N HN 0.308 nan 8.380 nan 0.000 0.429 423 K N 1.044 121.449 120.400 0.009 0.000 2.522 423 K HA 0.053 4.372 4.320 -0.001 0.000 0.194 423 K C 0.642 177.264 176.600 0.037 0.000 1.026 423 K CA -0.174 56.123 56.287 0.016 0.000 1.119 423 K CB 0.269 32.780 32.500 0.018 0.000 0.856 423 K HN 0.123 nan 8.250 nan 0.000 0.513 424 R N 1.966 122.485 120.500 0.032 0.000 2.491 424 R HA 0.015 4.354 4.340 -0.001 0.000 0.283 424 R C -0.232 176.098 176.300 0.051 0.000 1.072 424 R CA 0.076 56.201 56.100 0.041 0.000 1.048 424 R CB 0.616 30.907 30.300 -0.014 0.000 0.983 424 R HN 0.024 nan 8.270 nan 0.000 0.450 425 S N 3.013 118.780 115.700 0.112 0.000 2.681 425 S HA 0.390 4.859 4.470 -0.001 0.000 0.299 425 S C -0.515 174.151 174.600 0.110 0.000 1.113 425 S CA -1.047 57.262 58.200 0.182 0.000 1.013 425 S CB 1.746 65.107 63.200 0.270 0.000 1.076 425 S HN 0.569 nan 8.310 nan 0.000 0.534 426 K N 0.824 121.292 120.400 0.114 0.000 2.180 426 K HA 0.263 4.582 4.320 -0.001 0.000 0.251 426 K C -0.356 176.232 176.600 -0.021 0.000 1.014 426 K CA -0.268 55.956 56.287 -0.106 0.000 0.913 426 K CB 0.390 32.665 32.500 -0.374 0.000 1.008 426 K HN 0.560 nan 8.250 nan 0.000 0.490 427 K N 0.712 121.085 120.400 -0.044 0.000 2.221 427 K HA 0.411 4.730 4.320 -0.001 0.000 0.258 427 K C 0.116 176.737 176.600 0.035 0.000 0.944 427 K CA -0.663 55.687 56.287 0.105 0.000 0.823 427 K CB 1.668 34.245 32.500 0.128 0.000 1.113 427 K HN 0.802 nan 8.250 nan 0.000 0.431 428 G N 1.964 110.834 108.800 0.116 0.000 2.801 428 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.244 428 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.244 428 G C -0.674 174.118 174.900 -0.181 0.000 1.385 428 G CA -0.623 44.484 45.100 0.012 0.000 0.894 428 G HN 0.682 nan 8.290 nan 0.000 0.562 429 R N -0.760 119.383 120.500 -0.595 0.000 2.537 429 R HA 0.304 4.643 4.340 -0.001 0.000 0.281 429 R C 0.589 176.740 176.300 -0.248 0.000 0.988 429 R CA 0.386 56.068 56.100 -0.697 0.000 1.077 429 R CB -0.042 29.727 30.300 -0.884 0.000 0.932 429 R HN 0.437 nan 8.270 nan 0.000 0.409 430 L N 1.077 122.294 121.223 -0.009 0.000 2.303 430 L HA 0.630 4.970 4.340 -0.001 0.000 0.266 430 L C -0.046 176.861 176.870 0.061 0.000 1.011 430 L CA -0.837 54.009 54.840 0.010 0.000 0.818 430 L CB 2.087 44.127 42.059 -0.032 0.000 1.326 430 L HN 0.754 nan 8.230 nan 0.000 0.435 431 S N 0.684 116.420 115.700 0.059 0.000 2.547 431 S HA 0.698 5.167 4.470 -0.001 0.000 0.270 431 S C -1.499 173.155 174.600 0.090 0.000 1.150 431 S CA -0.776 57.462 58.200 0.065 0.000 0.850 431 S CB 2.053 65.329 63.200 0.128 0.000 1.118 431 S HN 0.464 nan 8.310 nan 0.000 0.461 432 L N 1.778 122.985 121.223 -0.027 0.000 2.334 432 L HA 0.810 5.149 4.340 -0.001 0.000 0.276 432 L C -1.359 175.438 176.870 -0.121 0.000 1.014 432 L CA 0.069 54.944 54.840 0.058 0.000 0.815 432 L CB 1.383 43.492 42.059 0.083 0.000 1.268 432 L HN 0.992 nan 8.230 nan 0.000 0.428 433 H N 1.704 120.887 119.070 0.188 0.000 2.895 433 H HA 0.625 5.180 4.556 -0.001 0.000 0.373 433 H C -1.081 174.332 175.328 0.142 0.000 1.174 433 H CA -0.829 55.323 56.048 0.174 0.000 1.144 433 H CB 1.430 31.302 29.762 0.183 0.000 1.793 433 H HN 0.448 nan 8.280 nan 0.000 0.551 434 R N 1.508 122.099 120.500 0.152 0.000 2.196 434 R HA 0.238 4.577 4.340 -0.001 0.000 0.340 434 R C -0.319 175.907 176.300 -0.123 0.000 1.043 434 R CA -0.423 55.617 56.100 -0.101 0.000 0.883 434 R CB -0.153 30.088 30.300 -0.098 0.000 1.078 434 R HN 0.848 nan 8.270 nan 0.000 0.462 435 T N 2.075 116.502 114.554 -0.212 0.000 2.802 435 T HA 0.174 4.523 4.350 -0.001 0.000 0.305 435 T C -1.361 173.038 174.700 -0.503 0.000 1.053 435 T CA -1.049 60.769 62.100 -0.469 0.000 1.058 435 T CB 0.815 69.532 68.868 -0.252 0.000 0.988 435 T HN 0.575 nan 8.240 nan 0.000 0.539 436 P HA 0.122 nan 4.420 nan 0.000 0.237 436 P C 0.684 177.840 177.300 -0.240 0.000 1.178 436 P CA 0.455 63.325 63.100 -0.384 0.000 0.766 436 P CB -0.179 31.294 31.700 -0.377 0.000 0.876 437 A N -0.320 122.361 122.820 -0.232 0.000 2.423 437 A HA 0.536 4.855 4.320 -0.001 0.000 0.246 437 A C 1.377 178.873 177.584 -0.147 0.000 1.278 437 A CA 0.281 52.231 52.037 -0.146 0.000 0.903 437 A CB -0.888 18.050 19.000 -0.102 0.000 0.997 437 A HN 0.200 nan 8.150 nan 0.000 0.510 438 G N 0.041 108.722 108.800 -0.198 0.000 2.225 438 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.264 438 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.264 438 G C -0.041 174.686 174.900 -0.288 0.000 1.060 438 G CA 0.416 45.381 45.100 -0.226 0.000 0.833 438 G HN 0.644 nan 8.290 nan 0.000 0.498 439 N N -1.096 117.415 118.700 -0.315 0.000 2.890 439 N HA 0.811 5.550 4.740 -0.001 0.000 0.317 439 N C -0.802 174.434 175.510 -0.455 0.000 1.355 439 N CA -0.690 52.203 53.050 -0.261 0.000 0.803 439 N CB 1.165 39.624 38.487 -0.046 0.000 1.465 439 N HN -0.028 nan 8.380 nan 0.000 0.591 440 F N -0.002 119.998 119.950 0.084 0.000 2.522 440 F HA 0.620 5.146 4.527 -0.001 0.000 0.324 440 F C 0.177 176.056 175.800 0.131 0.000 1.077 440 F CA -0.788 57.285 58.000 0.122 0.000 0.944 440 F CB 1.819 40.892 39.000 0.121 0.000 1.175 440 F HN 0.002 nan 8.300 nan 0.000 0.468 441 V N 1.426 121.540 119.914 0.334 0.000 2.851 441 V HA 0.560 4.679 4.120 -0.001 0.000 0.307 441 V C -1.057 175.171 176.094 0.224 0.000 1.129 441 V CA -0.235 62.208 62.300 0.239 0.000 0.932 441 V CB 2.364 34.315 31.823 0.214 0.000 1.024 441 V HN 0.779 nan 8.190 nan 0.000 0.426 442 T N 7.982 122.620 114.554 0.140 0.000 2.743 442 T HA 0.534 4.883 4.350 -0.001 0.000 0.292 442 T C -0.300 174.429 174.700 0.047 0.000 0.972 442 T CA -0.146 62.016 62.100 0.102 0.000 0.967 442 T CB 0.462 69.357 68.868 0.044 0.000 0.926 442 T HN 0.527 nan 8.240 nan 0.000 0.459 443 L N 4.172 125.435 121.223 0.067 0.000 2.260 443 L HA 0.434 4.773 4.340 -0.001 0.000 0.289 443 L C 0.828 177.672 176.870 -0.043 0.000 1.057 443 L CA -0.599 54.230 54.840 -0.018 0.000 0.811 443 L CB 0.795 42.820 42.059 -0.056 0.000 1.184 443 L HN 0.583 nan 8.230 nan 0.000 0.429 444 E N 2.139 122.292 120.200 -0.079 0.000 2.330 444 E HA 0.187 4.536 4.350 -0.001 0.000 0.256 444 E C -0.220 176.315 176.600 -0.108 0.000 1.146 444 E CA -0.744 55.594 56.400 -0.104 0.000 0.945 444 E CB 0.542 30.175 29.700 -0.112 0.000 1.182 444 E HN 0.481 nan 8.360 nan 0.000 0.480 445 E N -0.400 119.727 120.200 -0.120 0.000 2.269 445 E HA -0.297 4.052 4.350 -0.001 0.000 0.223 445 E C 0.574 177.077 176.600 -0.162 0.000 1.244 445 E CA 0.123 56.447 56.400 -0.128 0.000 0.713 445 E CB -2.138 27.516 29.700 -0.078 0.000 1.178 445 E HN 0.979 nan 8.360 nan 0.000 0.370 446 G N 0.472 109.147 108.800 -0.208 0.000 2.230 446 G HA2 -0.450 3.509 3.960 -0.001 0.000 0.270 446 G HA3 -0.450 3.509 3.960 -0.001 0.000 0.270 446 G C 0.823 175.650 174.900 -0.122 0.000 0.987 446 G CA 1.180 46.163 45.100 -0.195 0.000 0.664 446 G HN 0.468 nan 8.290 nan 0.000 0.539 447 K N 0.264 120.598 120.400 -0.109 0.000 2.589 447 K HA 0.038 4.358 4.320 -0.001 0.000 0.195 447 K C 2.456 178.995 176.600 -0.102 0.000 1.040 447 K CA 0.611 56.836 56.287 -0.103 0.000 0.950 447 K CB -0.231 32.202 32.500 -0.112 0.000 0.781 447 K HN 0.405 nan 8.250 nan 0.000 0.486 448 G N 1.405 110.170 108.800 -0.059 0.000 2.572 448 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.216 448 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.216 448 G C 0.872 175.793 174.900 0.034 0.000 1.133 448 G CA 0.211 45.324 45.100 0.022 0.000 0.791 448 G HN 0.222 nan 8.290 nan 0.000 0.538 449 D N 0.612 121.003 120.400 -0.015 0.000 2.263 449 D HA -0.056 4.583 4.640 -0.001 0.000 0.208 449 D C 1.117 177.411 176.300 -0.011 0.000 0.971 449 D CA 0.444 54.438 54.000 -0.010 0.000 0.867 449 D CB 0.026 40.804 40.800 -0.036 0.000 0.929 449 D HN 0.270 nan 8.370 nan 0.000 0.492 450 L N 2.356 123.554 121.223 -0.042 0.000 2.325 450 L HA 0.089 4.428 4.340 -0.001 0.000 0.284 450 L C 0.714 177.552 176.870 -0.053 0.000 1.089 450 L CA -0.375 54.434 54.840 -0.052 0.000 0.836 450 L CB 0.667 42.678 42.059 -0.081 0.000 1.184 450 L HN -0.293 nan 8.230 nan 0.000 0.444 451 E N 3.484 123.681 120.200 -0.006 0.000 3.187 451 E HA -0.076 4.273 4.350 -0.001 0.000 0.297 451 E C 0.767 177.376 176.600 0.015 0.000 1.515 451 E CA 0.083 56.502 56.400 0.031 0.000 1.641 451 E CB -0.120 29.610 29.700 0.050 0.000 1.314 451 E HN 0.521 nan 8.360 nan 0.000 0.462 452 E N -0.156 120.008 120.200 -0.061 0.000 2.047 452 E HA -0.154 4.195 4.350 -0.001 0.000 0.191 452 E C 0.752 177.446 176.600 0.158 0.000 0.987 452 E CA 1.043 57.410 56.400 -0.055 0.000 0.799 452 E CB -0.019 29.535 29.700 -0.245 0.000 0.752 452 E HN 0.575 nan 8.360 nan 0.000 0.449 453 Y N 0.077 120.309 120.300 -0.112 0.000 2.736 453 Y HA 0.331 4.880 4.550 -0.001 0.000 0.293 453 Y C 1.052 177.011 175.900 0.099 0.000 1.062 453 Y CA -0.412 57.671 58.100 -0.028 0.000 1.247 453 Y CB 0.680 39.111 38.460 -0.047 0.000 1.200 453 Y HN 0.121 nan 8.280 nan 0.000 0.552 454 G N 1.200 110.142 108.800 0.237 0.000 2.475 454 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.223 454 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.223 454 G C -0.897 174.155 174.900 0.255 0.000 1.201 454 G CA -0.667 44.555 45.100 0.203 0.000 0.962 454 G HN 0.296 nan 8.290 nan 0.000 0.586 455 Q N 0.009 119.912 119.800 0.172 0.000 2.257 455 Q HA 0.494 4.833 4.340 -0.001 0.000 0.262 455 Q C -0.639 175.290 176.000 -0.119 0.000 0.997 455 Q CA -0.687 55.161 55.803 0.076 0.000 0.873 455 Q CB 1.458 30.214 28.738 0.031 0.000 1.312 455 Q HN 0.624 nan 8.270 nan 0.000 0.450 456 D N 1.707 121.964 120.400 -0.238 0.000 2.455 456 D HA -0.033 4.606 4.640 -0.001 0.000 0.241 456 D C 0.493 176.609 176.300 -0.307 0.000 1.138 456 D CA 0.558 54.297 54.000 -0.435 0.000 0.877 456 D CB 0.825 41.476 40.800 -0.249 0.000 1.187 456 D HN 0.571 nan 8.370 nan 0.000 0.451 457 L N 2.914 123.997 121.223 -0.234 0.000 2.509 457 L HA 0.109 4.449 4.340 -0.001 0.000 0.222 457 L C 0.730 177.551 176.870 -0.082 0.000 1.123 457 L CA -0.049 54.747 54.840 -0.072 0.000 0.856 457 L CB -0.157 41.959 42.059 0.095 0.000 0.985 457 L HN 0.272 nan 8.230 nan 0.000 0.456 458 L N 0.369 121.514 121.223 -0.130 0.000 2.410 458 L HA 0.117 4.456 4.340 -0.001 0.000 0.273 458 L C -0.507 176.291 176.870 -0.119 0.000 1.144 458 L CA -0.045 54.775 54.840 -0.034 0.000 0.863 458 L CB 0.163 42.219 42.059 -0.004 0.000 1.140 458 L HN 0.103 nan 8.230 nan 0.000 0.463 459 H N 0.334 119.436 119.070 0.053 0.000 2.524 459 H HA 0.277 4.832 4.556 -0.001 0.000 0.353 459 H C -0.209 175.180 175.328 0.102 0.000 1.136 459 H CA -0.629 55.465 56.048 0.076 0.000 1.193 459 H CB 1.529 31.348 29.762 0.095 0.000 1.558 459 H HN 0.436 nan 8.280 nan 0.000 0.515 460 T N 2.548 117.216 114.554 0.191 0.000 2.793 460 T HA 0.096 4.445 4.350 -0.001 0.000 0.289 460 T C 1.403 176.203 174.700 0.167 0.000 0.956 460 T CA 0.134 62.328 62.100 0.157 0.000 1.177 460 T CB 0.034 68.966 68.868 0.107 0.000 0.897 460 T HN 0.583 nan 8.240 nan 0.000 0.533 461 V N 1.548 121.575 119.914 0.189 0.000 3.523 461 V HA 0.545 4.664 4.120 -0.001 0.000 0.255 461 V C 0.074 176.294 176.094 0.210 0.000 1.226 461 V CA -0.018 62.393 62.300 0.185 0.000 1.092 461 V CB -0.288 31.664 31.823 0.214 0.000 0.817 461 V HN 0.638 nan 8.190 nan 0.000 0.458 462 F N 1.142 121.116 119.950 0.040 0.000 2.591 462 F HA 0.771 5.297 4.527 -0.001 0.000 0.309 462 F C -0.749 175.067 175.800 0.026 0.000 1.098 462 F CA -0.841 57.171 58.000 0.020 0.000 0.937 462 F CB 1.887 40.889 39.000 0.003 0.000 1.250 462 F HN -0.021 nan 8.300 nan 0.000 0.447 463 K N 4.795 124.878 120.400 -0.527 0.000 2.606 463 K HA 0.260 4.579 4.320 -0.001 0.000 0.259 463 K C -0.976 175.369 176.600 -0.425 0.000 1.001 463 K CA -0.503 55.615 56.287 -0.282 0.000 0.881 463 K CB 0.930 33.368 32.500 -0.102 0.000 1.288 463 K HN 0.895 nan 8.250 nan 0.000 0.452 464 N N 2.903 121.438 118.700 -0.275 0.000 2.740 464 N HA -0.246 4.493 4.740 -0.001 0.000 0.248 464 N C 0.384 175.779 175.510 -0.192 0.000 1.062 464 N CA 0.751 53.681 53.050 -0.201 0.000 0.704 464 N CB -0.774 37.633 38.487 -0.134 0.000 0.968 464 N HN 1.064 nan 8.380 nan 0.000 0.547 465 G N -0.812 107.725 108.800 -0.438 0.000 2.159 465 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.256 465 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.256 465 G C -0.145 174.513 174.900 -0.402 0.000 0.977 465 G CA 0.776 45.725 45.100 -0.251 0.000 0.652 465 G HN 0.462 nan 8.290 nan 0.000 0.531 466 K N 0.092 120.071 120.400 -0.703 0.000 2.397 466 K HA 0.574 4.893 4.320 -0.001 0.000 0.253 466 K C -0.073 176.299 176.600 -0.381 0.000 0.932 466 K CA -0.965 55.103 56.287 -0.366 0.000 0.795 466 K CB 3.000 35.392 32.500 -0.179 0.000 1.159 466 K HN 0.007 nan 8.250 nan 0.000 0.424 467 V N 3.244 123.091 119.914 -0.111 0.000 2.421 467 V HA -0.043 4.077 4.120 -0.001 0.000 0.271 467 V C 1.496 177.571 176.094 -0.031 0.000 1.031 467 V CA 0.352 62.659 62.300 0.011 0.000 1.032 467 V CB 0.266 32.121 31.823 0.053 0.000 1.009 467 V HN 1.006 nan 8.190 nan 0.000 0.477 468 T N 1.132 115.674 114.554 -0.021 0.000 3.067 468 T HA 0.144 4.493 4.350 -0.001 0.000 0.257 468 T C 0.518 175.207 174.700 -0.019 0.000 1.105 468 T CA 0.074 62.160 62.100 -0.023 0.000 1.104 468 T CB 0.220 69.081 68.868 -0.013 0.000 0.925 468 T HN 0.427 nan 8.240 nan 0.000 0.498 469 K N 0.436 120.828 120.400 -0.012 0.000 2.550 469 K HA 0.632 4.951 4.320 -0.001 0.000 0.252 469 K C -1.697 174.831 176.600 -0.119 0.000 0.943 469 K CA -0.384 55.848 56.287 -0.091 0.000 0.806 469 K CB 2.249 34.700 32.500 -0.082 0.000 1.289 469 K HN 0.053 nan 8.250 nan 0.000 0.435 470 S N 1.935 117.486 115.700 -0.249 0.000 2.632 470 S HA 0.709 5.178 4.470 -0.001 0.000 0.289 470 S C -1.606 172.760 174.600 -0.391 0.000 1.115 470 S CA -0.617 57.485 58.200 -0.164 0.000 0.889 470 S CB 0.713 63.886 63.200 -0.045 0.000 1.116 470 S HN 0.423 nan 8.310 nan 0.000 0.486 471 Y N 0.718 121.098 120.300 0.133 0.000 2.512 471 Y HA 0.546 5.095 4.550 -0.001 0.000 0.348 471 Y C 0.608 176.660 175.900 0.254 0.000 0.990 471 Y CA -0.965 57.232 58.100 0.162 0.000 1.033 471 Y CB 1.493 40.053 38.460 0.166 0.000 1.259 471 Y HN 0.711 nan 8.280 nan 0.000 0.461 472 S N 0.765 116.665 115.700 0.333 0.000 2.645 472 S HA 0.222 4.691 4.470 -0.001 0.000 0.266 472 S C 0.543 175.346 174.600 0.337 0.000 1.258 472 S CA -0.467 57.926 58.200 0.320 0.000 0.990 472 S CB 0.544 63.864 63.200 0.200 0.000 0.967 472 S HN 0.637 nan 8.310 nan 0.000 0.556 473 F N 1.122 121.173 119.950 0.168 0.000 2.293 473 F HA -0.016 4.510 4.527 -0.001 0.000 0.300 473 F C 1.679 177.465 175.800 -0.023 0.000 1.086 473 F CA 1.347 59.352 58.000 0.008 0.000 1.375 473 F CB -0.387 38.601 39.000 -0.020 0.000 1.045 473 F HN 0.618 nan 8.300 nan 0.000 0.516 474 D N -0.012 120.437 120.400 0.083 0.000 2.178 474 D HA -0.147 4.493 4.640 -0.001 0.000 0.202 474 D C 2.000 178.276 176.300 -0.039 0.000 0.974 474 D CA 1.215 55.217 54.000 0.003 0.000 0.841 474 D CB -0.296 40.540 40.800 0.060 0.000 0.953 474 D HN 0.470 nan 8.370 nan 0.000 0.478 475 E N 0.445 120.659 120.200 0.025 0.000 2.107 475 E HA -0.054 4.295 4.350 -0.001 0.000 0.191 475 E C 2.370 178.956 176.600 -0.024 0.000 0.982 475 E CA 0.344 56.778 56.400 0.057 0.000 0.809 475 E CB 0.082 29.896 29.700 0.190 0.000 0.756 475 E HN 0.292 nan 8.360 nan 0.000 0.459 476 I N 0.966 121.461 120.570 -0.124 0.000 2.142 476 I HA -0.280 3.889 4.170 -0.001 0.000 0.240 476 I C 2.576 178.478 176.117 -0.358 0.000 1.078 476 I CA 1.214 62.354 61.300 -0.266 0.000 1.343 476 I CB -0.311 37.401 38.000 -0.479 0.000 1.046 476 I HN 0.008 nan 8.210 nan 0.000 0.405 477 R N 0.759 120.964 120.500 -0.491 0.000 2.091 477 R HA -0.238 4.102 4.340 -0.001 0.000 0.238 477 R C 2.344 178.494 176.300 -0.250 0.000 1.136 477 R CA 1.665 57.510 56.100 -0.425 0.000 0.959 477 R CB -0.308 29.750 30.300 -0.404 0.000 0.856 477 R HN 0.149 nan 8.270 nan 0.000 0.437 478 K N 0.994 121.291 120.400 -0.172 0.000 2.032 478 K HA -0.125 4.194 4.320 -0.001 0.000 0.209 478 K C 1.381 177.917 176.600 -0.108 0.000 1.048 478 K CA 1.885 58.108 56.287 -0.106 0.000 0.927 478 K CB -0.199 32.271 32.500 -0.049 0.000 0.712 478 K HN 0.241 nan 8.250 nan 0.000 0.441 479 N N -0.755 117.889 118.700 -0.093 0.000 2.381 479 N HA -0.093 4.646 4.740 -0.001 0.000 0.182 479 N C 0.973 176.389 175.510 -0.156 0.000 1.025 479 N CA 0.621 53.610 53.050 -0.102 0.000 0.888 479 N CB 0.013 38.524 38.487 0.040 0.000 0.965 479 N HN 0.257 nan 8.380 nan 0.000 0.438 480 A N 0.507 123.225 122.820 -0.169 0.000 2.348 480 A HA 0.083 4.403 4.320 -0.001 0.000 0.224 480 A C 0.718 178.197 177.584 -0.175 0.000 1.227 480 A CA -0.249 51.682 52.037 -0.177 0.000 0.885 480 A CB 0.208 19.073 19.000 -0.225 0.000 0.933 480 A HN 0.210 nan 8.150 nan 0.000 0.506 481 Q N -0.254 119.446 119.800 -0.167 0.000 2.523 481 Q HA 0.209 4.548 4.340 -0.001 0.000 0.283 481 Q C -0.515 175.408 176.000 -0.129 0.000 1.140 481 Q CA 0.497 56.209 55.803 -0.153 0.000 0.981 481 Q CB 0.372 29.035 28.738 -0.125 0.000 1.310 481 Q HN 0.521 nan 8.270 nan 0.000 0.483 482 L N 0.879 122.029 121.223 -0.122 0.000 2.387 482 L HA 0.235 4.574 4.340 -0.001 0.000 0.266 482 L C 0.868 177.694 176.870 -0.074 0.000 1.059 482 L CA -0.536 54.247 54.840 -0.094 0.000 0.801 482 L CB 0.818 42.819 42.059 -0.098 0.000 1.223 482 L HN 0.714 nan 8.230 nan 0.000 0.456 483 N N 0.340 119.007 118.700 -0.056 0.000 2.091 483 N HA 0.114 4.853 4.740 -0.001 0.000 0.229 483 N C -0.096 175.388 175.510 -0.044 0.000 1.250 483 N CA -0.295 52.728 53.050 -0.046 0.000 0.958 483 N CB 0.025 38.491 38.487 -0.034 0.000 1.057 483 N HN 0.228 nan 8.380 nan 0.000 0.408 484 I N 0.000 120.548 120.570 -0.036 0.000 2.984 484 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 484 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 484 I CB 0.000 37.979 38.000 -0.035 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494