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 1v5d_1_B DATA FIRST_RESID 49 DATA SEQUENCE AKEMKPFPQQ VNYAGVIKPN HVTQESLNAS VRSYYDNWKK KYLKNDLSSL DATA SEQUENCE PGGYYVKGEI TGDADGFKPL GTSEGQGYGM IITVLMAGYD SNAQKIYDGL DATA SEQUENCE FKTARTFKSS QNPNLMGWVV ADSKKAQGHF DSATDGDLDI AYSLLLAHKQ DATA SEQUENCE WGSNGTVNYL KEAQDMITKG IKASNVTNNN QLNLGDWDSK SSLDTRPSDW DATA SEQUENCE MMSHLRAFYE FTGDKTWLTV INNLYDVYTQ FSNKYSPNTG LISDFVVKNP DATA SEQUENCE PQPAPKDFLD ESEYTNAYYY NASRVPLRIV MDYAMYGEKR SKVISDKVSS DATA SEQUENCE WIQNKTNGNP SKIVDGYQLN GSNIGSYPTA VFVSPFIAAS ITSSNNQKWV DATA SEQUENCE NSGWDWMKNK RERYFSDSYN LLTMLFITGN WWKPVP 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 49 A HA 0.000 nan 4.320 nan 0.000 0.244 49 A C 0.000 177.694 177.584 0.183 0.000 1.274 49 A CA 0.000 52.111 52.037 0.123 0.000 0.836 49 A CB 0.000 19.033 19.000 0.055 0.000 0.831 50 K N -0.736 119.740 120.400 0.126 0.000 3.160 50 K HA -0.170 4.151 4.320 0.001 0.000 0.280 50 K C -0.372 176.308 176.600 0.133 0.000 1.154 50 K CA 1.438 57.794 56.287 0.114 0.000 0.822 50 K CB -1.288 31.281 32.500 0.116 0.000 1.239 50 K HN 0.743 nan 8.250 nan 0.000 0.489 51 E N 0.314 120.587 120.200 0.121 0.000 2.414 51 E HA 0.009 4.360 4.350 0.001 0.000 0.263 51 E C 1.132 177.656 176.600 -0.126 0.000 1.000 51 E CA 0.497 56.883 56.400 -0.023 0.000 0.914 51 E CB 0.391 30.070 29.700 -0.035 0.000 0.948 51 E HN 0.206 nan 8.360 nan 0.000 0.444 52 M N 1.999 121.454 119.600 -0.242 0.000 2.465 52 M HA 0.083 4.564 4.480 0.001 0.000 0.249 52 M C 0.155 176.213 176.300 -0.404 0.000 1.130 52 M CA 0.435 55.575 55.300 -0.267 0.000 1.067 52 M CB 0.597 33.043 32.600 -0.257 0.000 1.394 52 M HN 0.051 nan 8.290 nan 0.000 0.483 53 K N 1.169 121.254 120.400 -0.524 0.000 3.206 53 K HA 0.347 4.667 4.320 0.001 0.000 0.180 53 K C -2.695 173.643 176.600 -0.437 0.000 1.088 53 K CA -1.396 54.444 56.287 -0.745 0.000 0.872 53 K CB 0.621 32.167 32.500 -1.591 0.000 0.976 53 K HN 0.035 nan 8.250 nan 0.000 0.564 54 P HA -0.026 nan 4.420 nan 0.000 0.268 54 P C -0.036 177.253 177.300 -0.019 0.000 1.204 54 P CA -0.319 62.734 63.100 -0.079 0.000 0.768 54 P CB 0.417 32.088 31.700 -0.047 0.000 0.842 55 F N 6.266 126.202 119.950 -0.025 0.000 2.529 55 F HA 0.253 4.780 4.527 0.001 0.000 0.365 55 F C -1.816 173.980 175.800 -0.007 0.000 1.102 55 F CA -1.383 56.617 58.000 -0.001 0.000 1.271 55 F CB 0.345 39.355 39.000 0.018 0.000 1.120 55 F HN 0.245 nan 8.300 nan 0.000 0.579 56 P HA 0.177 nan 4.420 nan 0.000 0.298 56 P C -0.926 176.085 177.300 -0.482 0.000 1.314 56 P CA -0.468 61.956 63.100 -1.126 0.000 0.854 56 P CB 1.920 32.882 31.700 -1.231 0.000 1.019 57 Q N 1.167 120.770 119.800 -0.328 0.000 2.398 57 Q HA -0.037 4.304 4.340 0.001 0.000 0.204 57 Q C 0.655 176.524 176.000 -0.217 0.000 0.932 57 Q CA 0.496 56.171 55.803 -0.214 0.000 0.916 57 Q CB -0.176 28.507 28.738 -0.091 0.000 1.024 57 Q HN 0.620 nan 8.270 nan 0.000 0.504 58 Q N -0.026 119.626 119.800 -0.247 0.000 2.398 58 Q HA -0.161 4.180 4.340 0.001 0.000 0.367 58 Q C -0.561 175.297 176.000 -0.236 0.000 1.337 58 Q CA 0.010 55.672 55.803 -0.236 0.000 1.130 58 Q CB -2.260 26.334 28.738 -0.240 0.000 1.320 58 Q HN -0.043 nan 8.270 nan 0.000 0.352 59 V N 1.512 121.261 119.914 -0.275 0.000 2.924 59 V HA 0.098 4.219 4.120 0.001 0.000 0.305 59 V C 0.810 176.652 176.094 -0.420 0.000 1.073 59 V CA -0.253 61.805 62.300 -0.404 0.000 1.098 59 V CB 1.240 32.669 31.823 -0.657 0.000 1.000 59 V HN 0.583 nan 8.190 nan 0.000 0.484 60 N N 2.373 120.842 118.700 -0.385 0.000 2.898 60 N HA 0.289 5.030 4.740 0.001 0.000 0.245 60 N C -0.968 174.405 175.510 -0.228 0.000 1.185 60 N CA -0.300 52.599 53.050 -0.253 0.000 0.879 60 N CB 0.642 39.031 38.487 -0.164 0.000 1.157 60 N HN 0.543 nan 8.380 nan 0.000 0.503 61 Y N 1.027 121.255 120.300 -0.120 0.000 2.497 61 Y HA 0.139 4.690 4.550 0.001 0.000 0.334 61 Y C 1.321 177.165 175.900 -0.092 0.000 1.199 61 Y CA -0.518 57.513 58.100 -0.115 0.000 1.425 61 Y CB 0.446 38.831 38.460 -0.125 0.000 1.291 61 Y HN 0.362 nan 8.280 nan 0.000 0.562 62 A N 2.238 125.100 122.820 0.070 0.000 2.511 62 A HA 0.416 4.737 4.320 0.001 0.000 0.242 62 A C 1.356 178.951 177.584 0.019 0.000 1.069 62 A CA 0.297 52.339 52.037 0.009 0.000 0.763 62 A CB -0.864 18.116 19.000 -0.033 0.000 1.001 62 A HN 1.548 nan 8.150 nan 0.000 0.498 63 G N 0.691 109.539 108.800 0.080 0.000 2.168 63 G HA2 -0.116 3.844 3.960 0.001 0.000 0.257 63 G HA3 -0.116 3.844 3.960 0.001 0.000 0.257 63 G C 0.064 175.108 174.900 0.239 0.000 0.997 63 G CA 0.403 45.615 45.100 0.187 0.000 0.708 63 G HN 1.466 nan 8.290 nan 0.000 0.520 64 V N 1.430 121.438 119.914 0.157 0.000 2.604 64 V HA 0.742 4.863 4.120 0.001 0.000 0.305 64 V C 0.609 176.752 176.094 0.082 0.000 1.043 64 V CA -0.592 61.799 62.300 0.152 0.000 0.888 64 V CB 1.925 33.847 31.823 0.166 0.000 0.995 64 V HN 0.605 nan 8.190 nan 0.000 0.429 65 I N 1.433 122.046 120.570 0.072 0.000 2.607 65 I HA 0.735 4.905 4.170 0.001 0.000 0.305 65 I C -0.430 175.692 176.117 0.008 0.000 0.995 65 I CA -0.747 60.573 61.300 0.033 0.000 1.148 65 I CB 1.799 39.823 38.000 0.040 0.000 1.323 65 I HN 0.450 nan 8.210 nan 0.000 0.461 66 K N 3.042 123.419 120.400 -0.037 0.000 2.306 66 K HA 0.571 4.892 4.320 0.001 0.000 0.236 66 K C -2.698 173.845 176.600 -0.095 0.000 1.013 66 K CA -1.800 54.428 56.287 -0.097 0.000 0.857 66 K CB 1.392 33.794 32.500 -0.163 0.000 1.214 66 K HN 0.352 nan 8.250 nan 0.000 0.449 67 P HA -0.017 nan 4.420 nan 0.000 0.264 67 P C -0.486 176.784 177.300 -0.049 0.000 1.193 67 P CA 0.200 63.255 63.100 -0.075 0.000 0.763 67 P CB 0.318 31.853 31.700 -0.274 0.000 0.810 68 N N 2.077 120.834 118.700 0.095 0.000 2.200 68 N HA -0.044 4.697 4.740 0.001 0.000 0.224 68 N C 0.726 176.304 175.510 0.112 0.000 1.179 68 N CA 0.059 53.137 53.050 0.047 0.000 0.877 68 N CB -0.544 37.955 38.487 0.021 0.000 1.072 68 N HN 0.434 nan 8.380 nan 0.000 0.519 69 H N -0.602 118.453 119.070 -0.026 0.000 2.539 69 H HA 0.263 4.819 4.556 0.001 0.000 0.269 69 H C 0.425 175.760 175.328 0.013 0.000 0.980 69 H CA -0.059 55.995 56.048 0.009 0.000 1.152 69 H CB -0.590 29.197 29.762 0.041 0.000 1.407 69 H HN 0.118 nan 8.280 nan 0.000 0.564 70 V N -1.433 118.296 119.914 -0.309 0.000 3.102 70 V HA 0.575 4.696 4.120 0.001 0.000 0.312 70 V C 0.431 176.424 176.094 -0.167 0.000 1.135 70 V CA -0.571 61.575 62.300 -0.256 0.000 1.022 70 V CB 1.691 33.321 31.823 -0.321 0.000 1.056 70 V HN 0.344 nan 8.190 nan 0.000 0.436 71 T N -1.041 113.444 114.554 -0.115 0.000 2.828 71 T HA 0.284 4.635 4.350 0.001 0.000 0.290 71 T C 0.810 175.436 174.700 -0.123 0.000 1.019 71 T CA 0.694 62.735 62.100 -0.098 0.000 1.031 71 T CB 1.176 70.005 68.868 -0.064 0.000 1.001 71 T HN 0.936 nan 8.240 nan 0.000 0.531 72 Q N 0.274 120.002 119.800 -0.120 0.000 2.124 72 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 72 Q C 2.077 178.012 176.000 -0.108 0.000 0.977 72 Q CA 1.889 57.607 55.803 -0.141 0.000 0.850 72 Q CB -0.447 28.208 28.738 -0.138 0.000 0.901 72 Q HN 0.877 nan 8.270 nan 0.000 0.429 73 E N -0.765 119.390 120.200 -0.076 0.000 2.110 73 E HA -0.178 4.173 4.350 0.001 0.000 0.193 73 E C 1.912 178.506 176.600 -0.010 0.000 0.988 73 E CA 1.140 57.514 56.400 -0.043 0.000 0.804 73 E CB -0.193 29.489 29.700 -0.030 0.000 0.745 73 E HN 0.320 nan 8.360 nan 0.000 0.458 74 S N 0.446 116.136 115.700 -0.016 0.000 2.368 74 S HA -0.098 4.373 4.470 0.001 0.000 0.224 74 S C 1.981 176.635 174.600 0.090 0.000 1.029 74 S CA 0.680 58.899 58.200 0.032 0.000 0.988 74 S CB -0.122 63.082 63.200 0.007 0.000 0.838 74 S HN 0.158 nan 8.310 nan 0.000 0.462 75 L N 1.517 122.735 121.223 -0.008 0.000 2.017 75 L HA -0.131 4.210 4.340 0.001 0.000 0.208 75 L C 2.422 179.366 176.870 0.124 0.000 1.073 75 L CA 1.339 56.164 54.840 -0.024 0.000 0.745 75 L CB -0.856 41.014 42.059 -0.314 0.000 0.894 75 L HN 0.317 nan 8.230 nan 0.000 0.432 76 N N 0.462 119.196 118.700 0.057 0.000 2.120 76 N HA -0.155 4.586 4.740 0.001 0.000 0.188 76 N C 1.870 177.501 175.510 0.200 0.000 1.024 76 N CA 1.562 54.699 53.050 0.144 0.000 0.852 76 N CB -0.397 38.090 38.487 -0.000 0.000 1.003 76 N HN 0.321 nan 8.380 nan 0.000 0.424 77 A N 0.543 123.439 122.820 0.127 0.000 1.902 77 A HA -0.077 4.244 4.320 0.001 0.000 0.217 77 A C 2.493 180.154 177.584 0.128 0.000 1.181 77 A CA 1.668 53.765 52.037 0.099 0.000 0.623 77 A CB -0.694 18.355 19.000 0.082 0.000 0.818 77 A HN 0.258 nan 8.150 nan 0.000 0.443 78 S N -0.499 115.323 115.700 0.204 0.000 2.382 78 S HA -0.120 4.351 4.470 0.001 0.000 0.228 78 S C 1.882 176.616 174.600 0.223 0.000 1.027 78 S CA 1.413 59.746 58.200 0.222 0.000 0.991 78 S CB -0.390 63.022 63.200 0.352 0.000 0.823 78 S HN 0.353 nan 8.310 nan 0.000 0.469 79 V N 2.014 122.082 119.914 0.256 0.000 2.358 79 V HA -0.152 3.969 4.120 0.001 0.000 0.246 79 V C 2.433 178.574 176.094 0.079 0.000 1.047 79 V CA 1.555 63.979 62.300 0.206 0.000 1.035 79 V CB -0.595 31.387 31.823 0.266 0.000 0.658 79 V HN 0.384 nan 8.190 nan 0.000 0.452 80 R N 0.020 120.481 120.500 -0.065 0.000 2.073 80 R HA -0.138 4.202 4.340 0.001 0.000 0.234 80 R C 2.582 178.912 176.300 0.050 0.000 1.134 80 R CA 1.792 57.724 56.100 -0.280 0.000 0.952 80 R CB -0.584 29.376 30.300 -0.568 0.000 0.850 80 R HN 0.450 nan 8.270 nan 0.000 0.433 81 S N 0.176 115.931 115.700 0.092 0.000 2.368 81 S HA -0.171 4.299 4.470 0.001 0.000 0.225 81 S C 1.656 176.345 174.600 0.149 0.000 1.030 81 S CA 1.099 59.373 58.200 0.123 0.000 0.999 81 S CB -0.356 62.904 63.200 0.100 0.000 0.844 81 S HN 0.348 nan 8.310 nan 0.000 0.459 82 Y N 0.611 120.967 120.300 0.093 0.000 2.181 82 Y HA -0.208 4.342 4.550 0.001 0.000 0.288 82 Y C 2.279 178.305 175.900 0.210 0.000 1.146 82 Y CA 1.623 59.792 58.100 0.115 0.000 1.164 82 Y CB -0.457 38.047 38.460 0.074 0.000 0.982 82 Y HN 0.346 nan 8.280 nan 0.000 0.515 83 Y N 1.122 121.560 120.300 0.231 0.000 2.181 83 Y HA -0.257 4.294 4.550 0.001 0.000 0.288 83 Y C 2.093 178.159 175.900 0.278 0.000 1.146 83 Y CA 2.058 60.301 58.100 0.238 0.000 1.164 83 Y CB -0.683 37.841 38.460 0.107 0.000 0.982 83 Y HN 0.139 nan 8.280 nan 0.000 0.515 84 D N -0.006 120.449 120.400 0.092 0.000 2.123 84 D HA -0.208 4.433 4.640 0.001 0.000 0.196 84 D C 1.691 177.937 176.300 -0.090 0.000 0.992 84 D CA 1.865 55.847 54.000 -0.031 0.000 0.833 84 D CB -0.501 40.361 40.800 0.105 0.000 0.954 84 D HN 0.582 nan 8.370 nan 0.000 0.455 85 N N -0.500 118.160 118.700 -0.066 0.000 2.171 85 N HA -0.112 4.629 4.740 0.001 0.000 0.184 85 N C 1.645 177.085 175.510 -0.117 0.000 1.021 85 N CA 0.634 53.608 53.050 -0.126 0.000 0.854 85 N CB -0.111 38.268 38.487 -0.180 0.000 0.994 85 N HN 0.236 nan 8.380 nan 0.000 0.426 86 W N 2.679 123.863 121.300 -0.193 0.000 2.355 86 W HA -0.118 4.543 4.660 0.001 0.000 0.309 86 W C 2.237 178.760 176.519 0.006 0.000 1.206 86 W CA 1.234 58.597 57.345 0.030 0.000 1.284 86 W CB -0.064 29.472 29.460 0.127 0.000 1.145 86 W HN -0.131 nan 8.180 nan 0.000 0.502 87 K N 0.869 121.215 120.400 -0.090 0.000 2.057 87 K HA -0.269 4.052 4.320 0.001 0.000 0.207 87 K C 2.255 178.637 176.600 -0.363 0.000 1.049 87 K CA 1.937 58.022 56.287 -0.336 0.000 0.931 87 K CB -0.485 31.801 32.500 -0.358 0.000 0.714 87 K HN 0.131 nan 8.250 nan 0.000 0.440 88 K N 0.870 121.098 120.400 -0.286 0.000 2.097 88 K HA -0.199 4.122 4.320 0.001 0.000 0.206 88 K C 2.088 178.481 176.600 -0.344 0.000 1.049 88 K CA 1.661 57.795 56.287 -0.256 0.000 0.933 88 K CB 0.020 32.404 32.500 -0.193 0.000 0.717 88 K HN 0.043 nan 8.250 nan 0.000 0.442 89 K N -1.108 118.991 120.400 -0.502 0.000 2.166 89 K HA -0.054 4.267 4.320 0.001 0.000 0.201 89 K C 1.140 177.221 176.600 -0.865 0.000 1.052 89 K CA 0.798 56.649 56.287 -0.726 0.000 0.969 89 K CB 0.201 32.097 32.500 -1.006 0.000 0.761 89 K HN 0.138 nan 8.250 nan 0.000 0.459 90 Y N -0.137 119.856 120.300 -0.512 0.000 2.498 90 Y HA 0.203 4.753 4.550 0.001 0.000 0.259 90 Y C 0.148 175.707 175.900 -0.568 0.000 1.086 90 Y CA -0.749 57.029 58.100 -0.538 0.000 1.287 90 Y CB 0.327 38.380 38.460 -0.678 0.000 1.146 90 Y HN -0.058 nan 8.280 nan 0.000 0.523 91 L N 2.595 123.503 121.223 -0.525 0.000 2.369 91 L HA 0.316 4.657 4.340 0.001 0.000 0.279 91 L C -0.584 176.113 176.870 -0.288 0.000 1.108 91 L CA -0.129 54.516 54.840 -0.325 0.000 0.852 91 L CB 0.035 41.981 42.059 -0.187 0.000 1.169 91 L HN -0.133 nan 8.230 nan 0.000 0.452 92 K N 3.728 123.862 120.400 -0.442 0.000 2.340 92 K HA 0.523 4.844 4.320 0.001 0.000 0.244 92 K C -0.465 175.770 176.600 -0.609 0.000 0.973 92 K CA -0.539 55.371 56.287 -0.627 0.000 0.828 92 K CB 1.798 33.602 32.500 -1.160 0.000 1.226 92 K HN 0.673 nan 8.250 nan 0.000 0.437 93 N N 0.031 118.421 118.700 -0.517 0.000 2.527 93 N HA -0.028 4.712 4.740 0.001 0.000 0.279 93 N C -0.906 174.447 175.510 -0.261 0.000 1.571 93 N CA -0.365 52.333 53.050 -0.587 0.000 0.858 93 N CB -0.021 37.711 38.487 -1.259 0.000 1.422 93 N HN 0.476 nan 8.380 nan 0.000 0.491 94 D N 0.277 120.627 120.400 -0.083 0.000 2.738 94 D HA 0.152 4.793 4.640 0.001 0.000 0.246 94 D C -0.272 176.071 176.300 0.072 0.000 1.270 94 D CA -0.348 53.648 54.000 -0.007 0.000 0.833 94 D CB -0.132 40.661 40.800 -0.013 0.000 1.040 94 D HN 0.258 nan 8.370 nan 0.000 0.487 95 L N 0.978 122.261 121.223 0.100 0.000 2.325 95 L HA 0.166 4.506 4.340 0.001 0.000 0.284 95 L C 1.270 178.168 176.870 0.046 0.000 1.089 95 L CA -0.375 54.513 54.840 0.081 0.000 0.836 95 L CB 1.169 43.294 42.059 0.111 0.000 1.184 95 L HN -0.041 nan 8.230 nan 0.000 0.444 96 S N 0.511 116.229 115.700 0.031 0.000 2.419 96 S HA -0.142 4.329 4.470 0.001 0.000 0.233 96 S C 1.869 176.481 174.600 0.020 0.000 1.016 96 S CA 1.513 59.724 58.200 0.018 0.000 0.974 96 S CB 0.007 63.215 63.200 0.012 0.000 0.786 96 S HN 0.865 nan 8.310 nan 0.000 0.492 97 S N 0.089 115.809 115.700 0.033 0.000 2.603 97 S HA 0.205 4.676 4.470 0.001 0.000 0.220 97 S C 0.293 174.902 174.600 0.015 0.000 0.967 97 S CA -0.062 58.150 58.200 0.020 0.000 0.920 97 S CB -0.039 63.178 63.200 0.029 0.000 0.773 97 S HN 0.275 nan 8.310 nan 0.000 0.529 98 L N 1.235 122.485 121.223 0.046 0.000 2.392 98 L HA 0.513 4.853 4.340 0.001 0.000 0.262 98 L C -3.145 173.755 176.870 0.050 0.000 1.498 98 L CA -1.585 53.287 54.840 0.052 0.000 0.820 98 L CB 1.159 43.288 42.059 0.117 0.000 0.990 98 L HN -0.159 nan 8.230 nan 0.000 0.520 99 P HA 0.391 nan 4.420 nan 0.000 0.265 99 P C 0.906 178.223 177.300 0.028 0.000 1.193 99 P CA 1.348 64.456 63.100 0.013 0.000 0.765 99 P CB 0.870 32.575 31.700 0.008 0.000 0.823 100 G N 1.795 110.602 108.800 0.013 0.000 2.241 100 G HA2 -0.163 3.797 3.960 0.001 0.000 0.244 100 G HA3 -0.163 3.797 3.960 0.001 0.000 0.244 100 G C 0.610 175.593 174.900 0.138 0.000 0.998 100 G CA -0.172 44.969 45.100 0.070 0.000 0.621 100 G HN 0.896 nan 8.290 nan 0.000 0.519 101 G N -0.497 108.365 108.800 0.104 0.000 2.476 101 G HA2 0.581 4.542 3.960 0.001 0.000 0.269 101 G HA3 0.581 4.542 3.960 0.001 0.000 0.269 101 G C -0.694 174.296 174.900 0.150 0.000 1.195 101 G CA -0.384 44.832 45.100 0.194 0.000 0.843 101 G HN 0.289 nan 8.290 nan 0.000 0.545 102 Y N -0.371 120.001 120.300 0.119 0.000 2.562 102 Y HA 0.636 5.186 4.550 0.001 0.000 0.343 102 Y C -0.003 175.991 175.900 0.156 0.000 1.025 102 Y CA -0.601 57.549 58.100 0.084 0.000 1.082 102 Y CB 2.423 40.912 38.460 0.047 0.000 1.264 102 Y HN 0.761 nan 8.280 nan 0.000 0.478 103 Y N -2.479 117.909 120.300 0.146 0.000 2.725 103 Y HA 0.797 5.347 4.550 0.001 0.000 0.333 103 Y C -2.217 173.728 175.900 0.075 0.000 1.242 103 Y CA -1.698 56.433 58.100 0.052 0.000 1.059 103 Y CB 0.511 38.917 38.460 -0.091 0.000 1.306 103 Y HN 0.245 nan 8.280 nan 0.000 0.454 104 V N 2.246 122.277 119.914 0.195 0.000 2.417 104 V HA 0.365 4.485 4.120 0.001 0.000 0.291 104 V C -0.371 175.794 176.094 0.117 0.000 1.024 104 V CA -0.957 61.417 62.300 0.123 0.000 0.861 104 V CB 1.247 33.275 31.823 0.342 0.000 0.985 104 V HN 0.655 nan 8.190 nan 0.000 0.436 105 K N 3.993 124.420 120.400 0.045 0.000 2.382 105 K HA 0.387 4.707 4.320 0.001 0.000 0.286 105 K C 0.511 177.078 176.600 -0.054 0.000 1.062 105 K CA 0.429 56.774 56.287 0.097 0.000 1.000 105 K CB 0.234 32.791 32.500 0.095 0.000 0.954 105 K HN 0.859 nan 8.250 nan 0.000 0.470 106 G N 2.900 111.555 108.800 -0.241 0.000 2.543 106 G HA2 0.140 4.101 3.960 0.001 0.000 0.290 106 G HA3 0.140 4.101 3.960 0.001 0.000 0.290 106 G C -0.790 174.047 174.900 -0.105 0.000 1.310 106 G CA -0.610 44.173 45.100 -0.529 0.000 1.025 106 G HN 0.739 nan 8.290 nan 0.000 0.502 107 E N -0.923 119.279 120.200 0.003 0.000 2.392 107 E HA 0.173 4.524 4.350 0.001 0.000 0.259 107 E C 0.788 177.416 176.600 0.046 0.000 1.108 107 E CA -0.526 55.940 56.400 0.110 0.000 0.916 107 E CB 0.535 30.334 29.700 0.166 0.000 0.989 107 E HN 0.408 nan 8.360 nan 0.000 0.432 108 I N 0.490 121.094 120.570 0.056 0.000 2.710 108 I HA 0.179 4.350 4.170 0.001 0.000 0.286 108 I C 0.170 176.301 176.117 0.024 0.000 1.181 108 I CA 0.040 61.358 61.300 0.031 0.000 1.430 108 I CB 0.663 38.685 38.000 0.035 0.000 1.367 108 I HN 0.305 nan 8.210 nan 0.000 0.577 109 T N 3.128 117.688 114.554 0.011 0.000 2.792 109 T HA 0.584 4.935 4.350 0.001 0.000 0.303 109 T C -0.030 174.679 174.700 0.015 0.000 1.310 109 T CA 0.016 62.127 62.100 0.017 0.000 1.007 109 T CB 1.286 70.168 68.868 0.023 0.000 1.335 109 T HN 1.052 nan 8.240 nan 0.000 0.504 110 G N 1.051 109.868 108.800 0.028 0.000 2.667 110 G HA2 0.435 4.396 3.960 0.001 0.000 0.250 110 G HA3 0.435 4.396 3.960 0.001 0.000 0.250 110 G C -0.563 174.358 174.900 0.035 0.000 1.212 110 G CA -0.329 44.788 45.100 0.029 0.000 0.874 110 G HN 0.755 nan 8.290 nan 0.000 0.561 111 D N -0.369 120.052 120.400 0.036 0.000 2.382 111 D HA 0.444 5.085 4.640 0.001 0.000 0.240 111 D C 0.355 176.719 176.300 0.106 0.000 1.146 111 D CA 0.769 54.801 54.000 0.054 0.000 0.897 111 D CB 1.146 41.966 40.800 0.033 0.000 1.197 111 D HN 0.522 nan 8.370 nan 0.000 0.432 112 A N 1.731 124.651 122.820 0.166 0.000 2.310 112 A HA 0.471 4.792 4.320 0.001 0.000 0.304 112 A C -0.366 177.498 177.584 0.466 0.000 1.231 112 A CA -0.669 51.545 52.037 0.295 0.000 0.799 112 A CB 0.405 19.506 19.000 0.168 0.000 1.162 112 A HN 0.600 nan 8.150 nan 0.000 0.486 113 D N 1.638 122.237 120.400 0.332 0.000 2.837 113 D HA -0.176 4.464 4.640 0.001 0.000 0.230 113 D C 1.249 177.610 176.300 0.102 0.000 1.152 113 D CA 2.995 57.155 54.000 0.266 0.000 0.736 113 D CB -1.044 39.988 40.800 0.387 0.000 1.084 113 D HN 1.907 nan 8.370 nan 0.000 0.429 114 G N -2.251 106.561 108.800 0.020 0.000 2.225 114 G HA2 -0.334 3.627 3.960 0.001 0.000 0.254 114 G HA3 -0.334 3.627 3.960 0.001 0.000 0.254 114 G C 0.340 175.086 174.900 -0.257 0.000 0.988 114 G CA 0.126 45.118 45.100 -0.180 0.000 0.625 114 G HN 0.425 nan 8.290 nan 0.000 0.527 115 F N 1.080 121.053 119.950 0.038 0.000 2.378 115 F HA 0.601 5.128 4.527 0.001 0.000 0.325 115 F C 1.045 176.833 175.800 -0.021 0.000 1.097 115 F CA -0.458 57.556 58.000 0.023 0.000 1.079 115 F CB 0.984 40.050 39.000 0.110 0.000 1.240 115 F HN -0.190 nan 8.300 nan 0.000 0.519 116 K N 2.837 123.321 120.400 0.141 0.000 2.268 116 K HA 0.309 4.629 4.320 0.001 0.000 0.276 116 K C -2.600 173.962 176.600 -0.063 0.000 1.080 116 K CA -1.757 54.542 56.287 0.020 0.000 0.910 116 K CB 0.647 33.146 32.500 -0.001 0.000 1.163 116 K HN 0.156 nan 8.250 nan 0.000 0.465 117 P HA 0.021 nan 4.420 nan 0.000 0.267 117 P C 0.009 177.167 177.300 -0.237 0.000 1.209 117 P CA 0.147 63.082 63.100 -0.275 0.000 0.763 117 P CB 0.633 32.149 31.700 -0.306 0.000 0.816 118 L N 1.745 122.771 121.223 -0.329 0.000 2.470 118 L HA 0.396 4.737 4.340 0.001 0.000 0.219 118 L C 1.213 177.948 176.870 -0.224 0.000 1.071 118 L CA 0.367 55.041 54.840 -0.276 0.000 0.850 118 L CB -0.026 41.753 42.059 -0.467 0.000 1.040 118 L HN 0.507 nan 8.230 nan 0.000 0.475 119 G N -0.616 107.977 108.800 -0.344 0.000 2.608 119 G HA2 0.521 4.481 3.960 0.001 0.000 0.291 119 G HA3 0.521 4.481 3.960 0.001 0.000 0.291 119 G C -1.253 173.462 174.900 -0.308 0.000 1.425 119 G CA 0.028 44.986 45.100 -0.237 0.000 0.787 119 G HN -0.085 nan 8.290 nan 0.000 0.484 120 T N -3.073 111.369 114.554 -0.187 0.000 2.887 120 T HA 0.597 4.947 4.350 0.001 0.000 0.292 120 T C 1.532 176.215 174.700 -0.027 0.000 1.087 120 T CA 0.525 62.555 62.100 -0.117 0.000 1.009 120 T CB 1.361 70.270 68.868 0.068 0.000 1.203 120 T HN 1.335 nan 8.240 nan 0.000 0.518 121 S N -0.517 115.210 115.700 0.045 0.000 2.423 121 S HA -0.150 4.320 4.470 0.001 0.000 0.231 121 S C 1.657 176.291 174.600 0.056 0.000 1.014 121 S CA 1.134 59.380 58.200 0.076 0.000 0.965 121 S CB -0.727 62.559 63.200 0.144 0.000 0.785 121 S HN 0.853 nan 8.310 nan 0.000 0.495 122 E N 1.988 122.216 120.200 0.046 0.000 2.031 122 E HA -0.117 4.233 4.350 0.001 0.000 0.193 122 E C 2.191 178.589 176.600 -0.337 0.000 0.994 122 E CA 1.359 57.691 56.400 -0.115 0.000 0.800 122 E CB -0.938 28.774 29.700 0.020 0.000 0.752 122 E HN 0.616 nan 8.360 nan 0.000 0.447 123 G N 0.280 109.083 108.800 0.004 0.000 2.422 123 G HA2 -0.299 3.662 3.960 0.001 0.000 0.218 123 G HA3 -0.299 3.662 3.960 0.001 0.000 0.218 123 G C 1.528 176.568 174.900 0.233 0.000 1.140 123 G CA 0.763 46.016 45.100 0.253 0.000 0.775 123 G HN 0.268 nan 8.290 nan 0.000 0.545 124 Q N 0.597 120.479 119.800 0.137 0.000 2.084 124 Q HA 0.031 4.372 4.340 0.001 0.000 0.202 124 Q C 2.574 178.684 176.000 0.183 0.000 0.978 124 Q CA 2.016 57.917 55.803 0.164 0.000 0.844 124 Q CB -0.846 27.956 28.738 0.106 0.000 0.898 124 Q HN 0.323 nan 8.270 nan 0.000 0.426 125 G N -1.087 107.787 108.800 0.124 0.000 2.421 125 G HA2 -0.249 3.711 3.960 0.001 0.000 0.216 125 G HA3 -0.249 3.711 3.960 0.001 0.000 0.216 125 G C 0.875 175.942 174.900 0.280 0.000 1.171 125 G CA 0.930 46.136 45.100 0.177 0.000 0.775 125 G HN 0.355 nan 8.290 nan 0.000 0.543 126 Y N 1.348 121.800 120.300 0.253 0.000 2.145 126 Y HA -0.041 4.509 4.550 0.001 0.000 0.286 126 Y C 3.040 179.024 175.900 0.139 0.000 1.145 126 Y CA 0.332 58.541 58.100 0.181 0.000 1.148 126 Y CB -1.248 37.350 38.460 0.230 0.000 0.981 126 Y HN 0.181 nan 8.280 nan 0.000 0.507 127 G N -0.615 108.462 108.800 0.460 0.000 2.422 127 G HA2 -0.253 3.707 3.960 0.001 0.000 0.218 127 G HA3 -0.253 3.707 3.960 0.001 0.000 0.218 127 G C 1.721 176.810 174.900 0.314 0.000 1.146 127 G CA 1.092 46.476 45.100 0.473 0.000 0.769 127 G HN 0.329 nan 8.290 nan 0.000 0.547 128 M N -0.186 119.575 119.600 0.269 0.000 2.175 128 M HA 0.123 4.603 4.480 0.001 0.000 0.264 128 M C 2.505 178.958 176.300 0.255 0.000 1.063 128 M CA 1.021 56.491 55.300 0.284 0.000 1.119 128 M CB -0.236 32.498 32.600 0.223 0.000 1.377 128 M HN 0.181 nan 8.290 nan 0.000 0.415 129 I N 0.167 120.803 120.570 0.110 0.000 2.202 129 I HA -0.277 3.893 4.170 0.001 0.000 0.242 129 I C 2.245 178.209 176.117 -0.255 0.000 1.091 129 I CA 1.297 62.520 61.300 -0.128 0.000 1.368 129 I CB -0.302 37.567 38.000 -0.219 0.000 1.058 129 I HN 0.228 nan 8.210 nan 0.000 0.410 130 I N 0.441 120.893 120.570 -0.198 0.000 2.163 130 I HA -0.322 3.849 4.170 0.001 0.000 0.243 130 I C 2.539 178.566 176.117 -0.150 0.000 1.085 130 I CA 1.695 62.839 61.300 -0.260 0.000 1.347 130 I CB -0.609 37.165 38.000 -0.377 0.000 1.044 130 I HN 0.253 nan 8.210 nan 0.000 0.408 131 T N 0.374 114.961 114.554 0.056 0.000 2.746 131 T HA -0.130 4.221 4.350 0.001 0.000 0.267 131 T C 1.973 176.723 174.700 0.082 0.000 1.039 131 T CA 1.409 63.609 62.100 0.166 0.000 1.142 131 T CB -0.287 68.786 68.868 0.342 0.000 0.866 131 T HN 0.125 nan 8.240 nan 0.000 0.444 132 V N 1.500 121.407 119.914 -0.013 0.000 2.427 132 V HA -0.072 4.049 4.120 0.001 0.000 0.248 132 V C 2.450 178.417 176.094 -0.211 0.000 1.051 132 V CA 1.326 63.479 62.300 -0.244 0.000 1.048 132 V CB -0.699 30.831 31.823 -0.488 0.000 0.666 132 V HN 0.445 nan 8.190 nan 0.000 0.456 133 L N -0.935 120.154 121.223 -0.224 0.000 2.141 133 L HA -0.110 4.231 4.340 0.001 0.000 0.209 133 L C 2.274 179.139 176.870 -0.008 0.000 1.094 133 L CA 1.010 55.784 54.840 -0.110 0.000 0.763 133 L CB -0.401 41.490 42.059 -0.280 0.000 0.908 133 L HN 0.317 nan 8.230 nan 0.000 0.437 134 M N -0.296 119.183 119.600 -0.202 0.000 2.561 134 M HA 0.166 4.646 4.480 0.001 0.000 0.238 134 M C 1.012 177.271 176.300 -0.068 0.000 1.131 134 M CA -0.104 54.987 55.300 -0.348 0.000 1.046 134 M CB -1.075 30.963 32.600 -0.937 0.000 1.532 134 M HN 0.067 nan 8.290 nan 0.000 0.497 135 A N 0.088 122.928 122.820 0.034 0.000 2.498 135 A HA 0.442 4.763 4.320 0.001 0.000 0.239 135 A C 1.449 179.124 177.584 0.152 0.000 1.068 135 A CA 0.973 53.095 52.037 0.142 0.000 0.766 135 A CB -0.250 18.822 19.000 0.121 0.000 1.003 135 A HN 0.783 nan 8.150 nan 0.000 0.497 136 G N 0.065 108.968 108.800 0.173 0.000 2.397 136 G HA2 -0.330 3.631 3.960 0.001 0.000 0.211 136 G HA3 -0.330 3.631 3.960 0.001 0.000 0.211 136 G C 1.015 176.043 174.900 0.213 0.000 1.077 136 G CA 1.098 46.299 45.100 0.168 0.000 0.649 136 G HN 1.499 nan 8.290 nan 0.000 0.511 137 Y N 2.124 122.489 120.300 0.108 0.000 2.301 137 Y HA 0.427 4.977 4.550 0.001 0.000 0.295 137 Y C 0.741 176.687 175.900 0.076 0.000 1.126 137 Y CA 1.167 59.316 58.100 0.083 0.000 1.154 137 Y CB 0.344 38.784 38.460 -0.033 0.000 1.075 137 Y HN 0.168 nan 8.280 nan 0.000 0.534 138 D N 0.550 120.883 120.400 -0.111 0.000 2.380 138 D HA 0.083 4.723 4.640 0.001 0.000 0.230 138 D C 1.036 177.339 176.300 0.006 0.000 1.154 138 D CA 0.493 54.430 54.000 -0.105 0.000 0.859 138 D CB 1.333 42.209 40.800 0.126 0.000 1.045 138 D HN 0.403 nan 8.370 nan 0.000 0.495 139 S N 3.191 118.874 115.700 -0.028 0.000 2.469 139 S HA -0.116 4.354 4.470 0.001 0.000 0.238 139 S C 1.015 175.634 174.600 0.033 0.000 0.998 139 S CA 0.499 58.709 58.200 0.017 0.000 0.957 139 S CB 0.007 63.205 63.200 -0.004 0.000 0.764 139 S HN 0.464 nan 8.310 nan 0.000 0.514 140 N N 1.216 119.940 118.700 0.039 0.000 2.230 140 N HA 0.364 5.104 4.740 0.001 0.000 0.202 140 N C 1.586 177.123 175.510 0.045 0.000 1.119 140 N CA 0.668 53.738 53.050 0.034 0.000 0.851 140 N CB 0.178 38.690 38.487 0.042 0.000 0.990 140 N HN 0.526 nan 8.380 nan 0.000 0.497 141 A N 1.439 124.327 122.820 0.112 0.000 1.884 141 A HA -0.271 4.050 4.320 0.001 0.000 0.219 141 A C 2.163 179.816 177.584 0.114 0.000 1.197 141 A CA 1.575 53.733 52.037 0.202 0.000 0.637 141 A CB -0.646 18.562 19.000 0.346 0.000 0.827 141 A HN 0.328 nan 8.150 nan 0.000 0.450 142 Q N -0.746 118.953 119.800 -0.169 0.000 2.119 142 Q HA -0.192 4.148 4.340 0.001 0.000 0.201 142 Q C 2.178 178.008 176.000 -0.283 0.000 0.972 142 Q CA 1.846 57.216 55.803 -0.722 0.000 0.847 142 Q CB -0.119 27.848 28.738 -1.286 0.000 0.903 142 Q HN 0.720 nan 8.270 nan 0.000 0.433 143 K N 0.240 120.542 120.400 -0.163 0.000 2.057 143 K HA -0.136 4.184 4.320 0.001 0.000 0.206 143 K C 1.918 178.435 176.600 -0.138 0.000 1.050 143 K CA 1.253 57.489 56.287 -0.085 0.000 0.935 143 K CB -0.085 32.397 32.500 -0.031 0.000 0.715 143 K HN 0.227 nan 8.250 nan 0.000 0.439 144 I N 0.180 120.614 120.570 -0.226 0.000 2.179 144 I HA -0.283 3.887 4.170 0.001 0.000 0.242 144 I C 2.272 178.205 176.117 -0.305 0.000 1.088 144 I CA 1.250 62.205 61.300 -0.575 0.000 1.357 144 I CB -0.348 37.451 38.000 -0.334 0.000 1.051 144 I HN 0.239 nan 8.210 nan 0.000 0.409 145 Y N 2.014 122.245 120.300 -0.114 0.000 2.145 145 Y HA -0.325 4.226 4.550 0.001 0.000 0.286 145 Y C 2.196 178.156 175.900 0.100 0.000 1.145 145 Y CA 1.931 60.053 58.100 0.036 0.000 1.148 145 Y CB -0.219 38.320 38.460 0.131 0.000 0.981 145 Y HN 0.189 nan 8.280 nan 0.000 0.507 146 D N -0.524 119.973 120.400 0.162 0.000 2.178 146 D HA -0.128 4.513 4.640 0.001 0.000 0.201 146 D C 2.278 178.676 176.300 0.164 0.000 0.980 146 D CA 1.369 55.498 54.000 0.214 0.000 0.842 146 D CB -0.754 40.157 40.800 0.185 0.000 0.948 146 D HN 0.555 nan 8.370 nan 0.000 0.472 147 G N 0.305 109.155 108.800 0.083 0.000 2.403 147 G HA2 -0.141 3.819 3.960 0.001 0.000 0.216 147 G HA3 -0.141 3.819 3.960 0.001 0.000 0.216 147 G C 1.741 176.776 174.900 0.224 0.000 1.154 147 G CA 0.073 45.309 45.100 0.226 0.000 0.784 147 G HN 0.246 nan 8.290 nan 0.000 0.538 148 L N -0.759 120.508 121.223 0.074 0.000 2.093 148 L HA 0.062 4.403 4.340 0.001 0.000 0.208 148 L C 2.502 179.415 176.870 0.072 0.000 1.085 148 L CA 0.712 55.603 54.840 0.085 0.000 0.755 148 L CB -0.333 41.717 42.059 -0.014 0.000 0.904 148 L HN 0.221 nan 8.230 nan 0.000 0.435 149 F N 1.003 120.858 119.950 -0.159 0.000 2.186 149 F HA -0.209 4.319 4.527 0.001 0.000 0.299 149 F C 2.526 178.350 175.800 0.039 0.000 1.090 149 F CA 1.541 59.492 58.000 -0.083 0.000 1.307 149 F CB -0.211 38.743 39.000 -0.076 0.000 1.019 149 F HN -0.095 nan 8.300 nan 0.000 0.489 150 K N -0.464 119.948 120.400 0.021 0.000 2.032 150 K HA -0.175 4.145 4.320 0.001 0.000 0.209 150 K C 1.940 178.526 176.600 -0.022 0.000 1.048 150 K CA 2.068 58.334 56.287 -0.036 0.000 0.927 150 K CB -0.425 32.129 32.500 0.090 0.000 0.712 150 K HN 0.246 nan 8.250 nan 0.000 0.441 151 T N 0.679 115.287 114.554 0.090 0.000 2.746 151 T HA -0.100 4.251 4.350 0.001 0.000 0.267 151 T C 1.852 176.651 174.700 0.166 0.000 1.039 151 T CA 1.254 63.476 62.100 0.204 0.000 1.142 151 T CB -0.311 68.674 68.868 0.195 0.000 0.866 151 T HN 0.429 nan 8.240 nan 0.000 0.444 152 A N 1.885 124.725 122.820 0.033 0.000 1.908 152 A HA -0.147 4.173 4.320 0.001 0.000 0.218 152 A C 2.375 179.929 177.584 -0.050 0.000 1.181 152 A CA 1.272 53.316 52.037 0.012 0.000 0.627 152 A CB -0.294 18.718 19.000 0.020 0.000 0.818 152 A HN 0.209 nan 8.150 nan 0.000 0.445 153 R N -0.997 119.360 120.500 -0.238 0.000 2.173 153 R HA 0.034 4.375 4.340 0.001 0.000 0.208 153 R C 2.025 178.257 176.300 -0.113 0.000 1.035 153 R CA 1.443 57.403 56.100 -0.234 0.000 1.004 153 R CB -1.409 28.609 30.300 -0.471 0.000 0.917 153 R HN 0.537 nan 8.270 nan 0.000 0.462 154 T N 0.588 115.093 114.554 -0.082 0.000 2.812 154 T HA 0.002 4.352 4.350 0.001 0.000 0.264 154 T C 0.700 175.287 174.700 -0.189 0.000 1.042 154 T CA 0.881 62.903 62.100 -0.131 0.000 1.140 154 T CB -0.146 68.638 68.868 -0.140 0.000 0.870 154 T HN 0.052 nan 8.240 nan 0.000 0.445 155 F N 3.394 123.309 119.950 -0.058 0.000 2.913 155 F HA 0.243 4.770 4.527 0.001 0.000 0.306 155 F C 0.974 176.770 175.800 -0.006 0.000 1.205 155 F CA -0.856 57.121 58.000 -0.038 0.000 1.359 155 F CB -0.527 38.433 39.000 -0.066 0.000 1.260 155 F HN 0.090 nan 8.300 nan 0.000 0.545 156 K N -0.975 119.476 120.400 0.084 0.000 2.286 156 K HA 0.186 4.507 4.320 0.001 0.000 0.256 156 K C 0.617 177.288 176.600 0.118 0.000 0.999 156 K CA -0.514 55.823 56.287 0.084 0.000 0.908 156 K CB 0.557 33.077 32.500 0.033 0.000 0.981 156 K HN 0.125 nan 8.250 nan 0.000 0.500 157 S N 0.263 116.041 115.700 0.131 0.000 2.564 157 S HA -0.020 4.451 4.470 0.001 0.000 0.278 157 S C 1.040 175.704 174.600 0.106 0.000 1.333 157 S CA -0.256 58.037 58.200 0.155 0.000 1.048 157 S CB 0.447 63.751 63.200 0.173 0.000 0.900 157 S HN 0.711 nan 8.310 nan 0.000 0.505 158 S N 3.775 119.532 115.700 0.095 0.000 2.515 158 S HA 0.005 4.476 4.470 0.001 0.000 0.231 158 S C 1.286 175.916 174.600 0.050 0.000 0.987 158 S CA 0.175 58.396 58.200 0.035 0.000 0.936 158 S CB -0.113 63.061 63.200 -0.045 0.000 0.766 158 S HN 0.713 nan 8.310 nan 0.000 0.528 159 Q N 1.641 121.495 119.800 0.090 0.000 2.178 159 Q HA 0.271 4.612 4.340 0.001 0.000 0.197 159 Q C 0.295 176.344 176.000 0.081 0.000 0.998 159 Q CA 0.408 56.266 55.803 0.092 0.000 0.845 159 Q CB -0.673 28.144 28.738 0.132 0.000 0.943 159 Q HN 0.492 nan 8.270 nan 0.000 0.514 160 N N 2.733 121.490 118.700 0.096 0.000 2.437 160 N HA 0.089 4.830 4.740 0.001 0.000 0.243 160 N C -1.978 173.583 175.510 0.086 0.000 1.041 160 N CA -1.609 51.492 53.050 0.084 0.000 0.940 160 N CB 1.367 39.909 38.487 0.091 0.000 1.133 160 N HN -0.018 nan 8.380 nan 0.000 0.506 161 P HA -0.083 nan 4.420 nan 0.000 0.226 161 P C 0.210 177.548 177.300 0.065 0.000 1.146 161 P CA 0.871 64.007 63.100 0.060 0.000 0.773 161 P CB 0.473 32.199 31.700 0.042 0.000 0.772 162 N N -0.473 118.273 118.700 0.076 0.000 2.461 162 N HA 0.090 4.830 4.740 0.001 0.000 0.188 162 N C 0.913 176.486 175.510 0.105 0.000 1.134 162 N CA 0.465 53.566 53.050 0.086 0.000 0.878 162 N CB 0.319 38.858 38.487 0.087 0.000 0.972 162 N HN 0.312 nan 8.380 nan 0.000 0.456 163 L N -0.169 121.121 121.223 0.111 0.000 2.299 163 L HA 0.518 4.858 4.340 0.001 0.000 0.268 163 L C -0.009 176.942 176.870 0.135 0.000 1.012 163 L CA -0.825 54.096 54.840 0.135 0.000 0.816 163 L CB 1.594 43.743 42.059 0.149 0.000 1.355 163 L HN -0.082 nan 8.230 nan 0.000 0.457 164 M N 0.143 119.837 119.600 0.157 0.000 2.336 164 M HA 0.478 4.958 4.480 0.001 0.000 0.342 164 M C 0.062 176.484 176.300 0.203 0.000 1.128 164 M CA -0.451 54.945 55.300 0.160 0.000 1.016 164 M CB 1.643 34.328 32.600 0.143 0.000 1.665 164 M HN 0.611 nan 8.290 nan 0.000 0.445 165 G N 4.300 113.229 108.800 0.215 0.000 2.441 165 G HA2 -0.014 3.946 3.960 0.001 0.000 0.243 165 G HA3 -0.014 3.946 3.960 0.001 0.000 0.243 165 G C 0.480 175.500 174.900 0.199 0.000 1.281 165 G CA -0.424 44.841 45.100 0.274 0.000 0.854 165 G HN 1.098 nan 8.290 nan 0.000 0.560 166 W N 1.799 123.140 121.300 0.069 0.000 2.525 166 W HA 0.142 4.803 4.660 0.001 0.000 0.259 166 W C -0.799 175.582 176.519 -0.230 0.000 1.253 166 W CA -0.008 57.315 57.345 -0.037 0.000 1.262 166 W CB -0.635 28.840 29.460 0.025 0.000 1.122 166 W HN 0.132 nan 8.180 nan 0.000 0.607 167 V N 2.591 121.818 119.914 -1.145 0.000 2.459 167 V HA 0.277 4.397 4.120 0.001 0.000 0.295 167 V C -0.078 175.421 176.094 -0.991 0.000 1.029 167 V CA -0.885 60.559 62.300 -1.425 0.000 0.874 167 V CB 1.767 32.127 31.823 -2.439 0.000 0.985 167 V HN -0.221 nan 8.190 nan 0.000 0.438 168 V N 4.522 123.915 119.914 -0.869 0.000 2.350 168 V HA 0.814 4.934 4.120 0.001 0.000 0.276 168 V C 0.332 175.942 176.094 -0.807 0.000 1.028 168 V CA -0.184 61.481 62.300 -1.058 0.000 0.860 168 V CB 1.219 32.460 31.823 -0.971 0.000 0.990 168 V HN 1.012 nan 8.190 nan 0.000 0.453 169 A N 3.254 125.717 122.820 -0.595 0.000 2.435 169 A HA 0.653 4.974 4.320 0.001 0.000 0.304 169 A C -0.578 176.961 177.584 -0.075 0.000 1.064 169 A CA -0.587 51.284 52.037 -0.276 0.000 0.727 169 A CB 1.498 20.425 19.000 -0.122 0.000 1.284 169 A HN 0.653 nan 8.150 nan 0.000 0.415 170 D N 1.444 121.812 120.400 -0.054 0.000 2.551 170 D HA 0.404 5.045 4.640 0.001 0.000 0.223 170 D C -0.352 176.005 176.300 0.096 0.000 1.144 170 D CA 0.988 55.005 54.000 0.028 0.000 1.025 170 D CB -0.065 40.725 40.800 -0.016 0.000 1.085 170 D HN 0.479 nan 8.370 nan 0.000 0.506 171 S N 1.800 117.583 115.700 0.137 0.000 2.548 171 S HA 0.200 4.670 4.470 0.001 0.000 0.278 171 S C 0.765 175.386 174.600 0.035 0.000 1.150 171 S CA -0.770 57.505 58.200 0.126 0.000 0.907 171 S CB 1.079 64.453 63.200 0.290 0.000 1.108 171 S HN 0.209 nan 8.310 nan 0.000 0.459 172 K N 2.302 122.699 120.400 -0.006 0.000 2.209 172 K HA -0.014 4.306 4.320 0.001 0.000 0.204 172 K C 1.452 178.001 176.600 -0.086 0.000 1.048 172 K CA 1.068 57.303 56.287 -0.087 0.000 0.940 172 K CB -0.052 32.412 32.500 -0.060 0.000 0.729 172 K HN 0.516 nan 8.250 nan 0.000 0.451 173 K N 0.308 120.716 120.400 0.013 0.000 2.283 173 K HA -0.040 4.280 4.320 0.001 0.000 0.202 173 K C 1.899 178.440 176.600 -0.098 0.000 1.048 173 K CA 0.926 57.239 56.287 0.044 0.000 0.948 173 K CB 0.078 32.691 32.500 0.188 0.000 0.742 173 K HN 0.106 nan 8.250 nan 0.000 0.458 174 A N 1.049 123.704 122.820 -0.275 0.000 2.123 174 A HA -0.038 4.283 4.320 0.001 0.000 0.214 174 A C 0.658 178.173 177.584 -0.115 0.000 1.152 174 A CA 0.224 51.942 52.037 -0.531 0.000 0.728 174 A CB 0.021 18.677 19.000 -0.573 0.000 0.814 174 A HN 0.237 nan 8.150 nan 0.000 0.464 175 Q N -0.327 119.289 119.800 -0.307 0.000 2.325 175 Q HA 0.398 4.739 4.340 0.001 0.000 0.256 175 Q C 0.781 176.663 176.000 -0.196 0.000 1.142 175 Q CA 0.508 55.999 55.803 -0.520 0.000 0.902 175 Q CB 0.098 28.399 28.738 -0.729 0.000 1.350 175 Q HN 0.695 nan 8.270 nan 0.000 0.449 176 G N 1.878 110.649 108.800 -0.048 0.000 2.141 176 G HA2 -0.308 3.653 3.960 0.001 0.000 0.231 176 G HA3 -0.308 3.653 3.960 0.001 0.000 0.231 176 G C 0.286 175.207 174.900 0.034 0.000 0.984 176 G CA 0.325 45.429 45.100 0.006 0.000 0.660 176 G HN 0.796 nan 8.290 nan 0.000 0.525 177 H N -0.817 118.211 119.070 -0.070 0.000 2.486 177 H HA 0.530 5.087 4.556 0.001 0.000 0.287 177 H C 0.882 176.031 175.328 -0.298 0.000 1.010 177 H CA 0.445 56.352 56.048 -0.235 0.000 1.324 177 H CB 0.120 29.599 29.762 -0.472 0.000 1.446 177 H HN 0.329 nan 8.280 nan 0.000 0.537 178 F N 1.510 121.439 119.950 -0.036 0.000 2.399 178 F HA 0.242 4.769 4.527 0.001 0.000 0.328 178 F C 0.420 176.293 175.800 0.122 0.000 1.084 178 F CA -1.042 56.962 58.000 0.008 0.000 1.053 178 F CB 0.878 39.863 39.000 -0.025 0.000 1.209 178 F HN 0.215 nan 8.300 nan 0.000 0.502 179 D N -0.640 120.012 120.400 0.420 0.000 2.451 179 D HA 0.402 5.042 4.640 0.001 0.000 0.259 179 D C -0.195 176.409 176.300 0.507 0.000 1.201 179 D CA -0.738 53.495 54.000 0.389 0.000 1.028 179 D CB 0.444 41.467 40.800 0.371 0.000 1.095 179 D HN 0.438 nan 8.370 nan 0.000 0.539 180 S N -1.534 114.423 115.700 0.427 0.000 2.693 180 S HA 0.692 5.162 4.470 0.001 0.000 0.276 180 S C -0.496 174.324 174.600 0.367 0.000 1.192 180 S CA -0.793 57.632 58.200 0.375 0.000 0.994 180 S CB 0.974 64.329 63.200 0.259 0.000 1.012 180 S HN 0.933 nan 8.310 nan 0.000 0.550 181 A N 0.987 123.981 122.820 0.290 0.000 2.353 181 A HA 0.602 4.923 4.320 0.001 0.000 0.299 181 A C 0.833 178.530 177.584 0.189 0.000 1.089 181 A CA -0.697 51.475 52.037 0.225 0.000 0.736 181 A CB 0.644 19.761 19.000 0.196 0.000 1.195 181 A HN 0.841 nan 8.150 nan 0.000 0.447 182 T N 1.304 115.952 114.554 0.156 0.000 2.665 182 T HA -0.211 4.139 4.350 0.001 0.000 0.268 182 T C 1.616 176.421 174.700 0.175 0.000 1.035 182 T CA 2.387 64.583 62.100 0.159 0.000 1.151 182 T CB -0.310 68.641 68.868 0.139 0.000 0.862 182 T HN 0.894 nan 8.240 nan 0.000 0.438 183 D N 1.255 121.746 120.400 0.151 0.000 2.144 183 D HA -0.037 4.604 4.640 0.001 0.000 0.199 183 D C 2.338 178.735 176.300 0.162 0.000 0.984 183 D CA 1.351 55.439 54.000 0.146 0.000 0.834 183 D CB -1.222 39.645 40.800 0.113 0.000 0.955 183 D HN 0.468 nan 8.370 nan 0.000 0.465 184 G N 0.826 109.715 108.800 0.147 0.000 2.421 184 G HA2 -0.268 3.693 3.960 0.001 0.000 0.216 184 G HA3 -0.268 3.693 3.960 0.001 0.000 0.216 184 G C 1.407 176.419 174.900 0.187 0.000 1.171 184 G CA 0.994 46.175 45.100 0.136 0.000 0.775 184 G HN 0.210 nan 8.290 nan 0.000 0.543 185 D N 0.418 120.942 120.400 0.207 0.000 2.144 185 D HA -0.045 4.596 4.640 0.001 0.000 0.200 185 D C 2.655 179.127 176.300 0.287 0.000 0.978 185 D CA 0.421 54.558 54.000 0.228 0.000 0.833 185 D CB -0.036 40.892 40.800 0.214 0.000 0.961 185 D HN 0.285 nan 8.370 nan 0.000 0.470 186 L N 1.002 122.414 121.223 0.316 0.000 2.017 186 L HA -0.181 4.160 4.340 0.001 0.000 0.208 186 L C 2.149 179.325 176.870 0.509 0.000 1.073 186 L CA 1.089 56.188 54.840 0.431 0.000 0.745 186 L CB -0.245 42.002 42.059 0.313 0.000 0.894 186 L HN -0.108 nan 8.230 nan 0.000 0.432 187 D N 0.012 120.665 120.400 0.421 0.000 2.117 187 D HA -0.126 4.514 4.640 0.001 0.000 0.198 187 D C 2.290 178.805 176.300 0.359 0.000 0.982 187 D CA 1.197 55.466 54.000 0.449 0.000 0.828 187 D CB 0.004 41.040 40.800 0.393 0.000 0.967 187 D HN 0.306 nan 8.370 nan 0.000 0.464 188 I N 1.186 121.935 120.570 0.298 0.000 2.179 188 I HA -0.252 3.919 4.170 0.001 0.000 0.242 188 I C 2.534 178.808 176.117 0.261 0.000 1.088 188 I CA 1.053 62.513 61.300 0.267 0.000 1.357 188 I CB -0.234 37.910 38.000 0.241 0.000 1.051 188 I HN -0.087 nan 8.210 nan 0.000 0.409 189 A N 0.154 123.129 122.820 0.258 0.000 1.908 189 A HA -0.300 4.021 4.320 0.001 0.000 0.218 189 A C 2.320 180.002 177.584 0.163 0.000 1.181 189 A CA 1.735 53.869 52.037 0.161 0.000 0.627 189 A CB -1.132 17.907 19.000 0.065 0.000 0.818 189 A HN 0.539 nan 8.150 nan 0.000 0.445 190 Y N 1.785 122.190 120.300 0.175 0.000 2.224 190 Y HA -0.222 4.328 4.550 0.001 0.000 0.289 190 Y C 2.876 178.735 175.900 -0.068 0.000 1.146 190 Y CA 1.877 59.997 58.100 0.034 0.000 1.182 190 Y CB -0.349 37.885 38.460 -0.378 0.000 0.983 190 Y HN 0.442 nan 8.280 nan 0.000 0.524 191 S N -0.221 115.512 115.700 0.054 0.000 2.399 191 S HA -0.209 4.261 4.470 0.001 0.000 0.231 191 S C 1.946 176.481 174.600 -0.109 0.000 1.022 191 S CA 1.509 59.694 58.200 -0.024 0.000 0.983 191 S CB -1.005 62.340 63.200 0.242 0.000 0.803 191 S HN 0.547 nan 8.310 nan 0.000 0.480 192 L N 0.472 121.685 121.223 -0.018 0.000 2.141 192 L HA 0.049 4.389 4.340 0.001 0.000 0.209 192 L C 2.542 179.277 176.870 -0.224 0.000 1.094 192 L CA 0.882 55.688 54.840 -0.057 0.000 0.763 192 L CB -0.480 41.583 42.059 0.007 0.000 0.908 192 L HN 0.335 nan 8.230 nan 0.000 0.437 193 L N -0.809 120.195 121.223 -0.364 0.000 2.093 193 L HA -0.200 4.141 4.340 0.001 0.000 0.208 193 L C 2.441 179.048 176.870 -0.438 0.000 1.085 193 L CA 1.034 55.544 54.840 -0.549 0.000 0.755 193 L CB -0.394 41.205 42.059 -0.765 0.000 0.904 193 L HN 0.266 nan 8.230 nan 0.000 0.435 194 L N -0.282 120.622 121.223 -0.532 0.000 2.046 194 L HA -0.184 4.156 4.340 0.001 0.000 0.208 194 L C 2.916 179.560 176.870 -0.376 0.000 1.077 194 L CA 1.159 55.722 54.840 -0.462 0.000 0.747 194 L CB -0.753 40.895 42.059 -0.686 0.000 0.896 194 L HN 0.236 nan 8.230 nan 0.000 0.432 195 A N -0.396 122.070 122.820 -0.591 0.000 1.908 195 A HA -0.312 4.009 4.320 0.001 0.000 0.218 195 A C 2.123 179.435 177.584 -0.453 0.000 1.181 195 A CA 2.074 53.593 52.037 -0.863 0.000 0.627 195 A CB -0.858 17.283 19.000 -1.432 0.000 0.818 195 A HN 0.555 nan 8.150 nan 0.000 0.445 196 H N 0.033 118.949 119.070 -0.256 0.000 2.353 196 H HA -0.050 4.507 4.556 0.001 0.000 0.300 196 H C 1.626 176.950 175.328 -0.007 0.000 1.090 196 H CA 2.078 58.132 56.048 0.010 0.000 1.327 196 H CB 0.067 29.808 29.762 -0.035 0.000 1.383 196 H HN 0.229 nan 8.280 nan 0.000 0.508 197 K N -0.032 120.242 120.400 -0.209 0.000 2.366 197 K HA -0.058 4.262 4.320 0.001 0.000 0.198 197 K C 2.078 178.481 176.600 -0.328 0.000 1.044 197 K CA 0.770 56.919 56.287 -0.229 0.000 0.973 197 K CB 0.114 32.653 32.500 0.064 0.000 0.767 197 K HN 0.406 nan 8.250 nan 0.000 0.475 198 Q N -0.751 118.818 119.800 -0.386 0.000 2.061 198 Q HA -0.032 4.308 4.340 0.001 0.000 0.195 198 Q C 0.987 176.627 176.000 -0.599 0.000 0.967 198 Q CA 1.277 56.670 55.803 -0.683 0.000 0.829 198 Q CB 0.245 28.277 28.738 -1.177 0.000 0.900 198 Q HN 0.299 nan 8.270 nan 0.000 0.450 199 W N -0.171 121.063 121.300 -0.110 0.000 2.871 199 W HA 0.571 5.232 4.660 0.001 0.000 0.340 199 W C 0.371 176.914 176.519 0.040 0.000 1.058 199 W CA 0.491 57.827 57.345 -0.016 0.000 1.633 199 W CB -0.206 29.291 29.460 0.060 0.000 1.067 199 W HN 0.291 nan 8.180 nan 0.000 0.554 200 G N 0.938 109.847 108.800 0.183 0.000 2.781 200 G HA2 -0.197 3.764 3.960 0.001 0.000 0.683 200 G HA3 -0.197 3.764 3.960 0.001 0.000 0.683 200 G C 0.145 175.260 174.900 0.359 0.000 1.390 200 G CA -0.163 45.024 45.100 0.145 0.000 0.850 200 G HN -0.054 nan 8.290 nan 0.000 0.557 201 S N -0.023 115.875 115.700 0.331 0.000 2.588 201 S HA 0.199 4.669 4.470 0.001 0.000 0.245 201 S C 1.234 175.862 174.600 0.046 0.000 1.021 201 S CA 0.053 58.365 58.200 0.187 0.000 1.006 201 S CB -0.017 63.310 63.200 0.211 0.000 0.830 201 S HN 0.586 nan 8.310 nan 0.000 0.468 202 N N 1.085 119.821 118.700 0.060 0.000 2.280 202 N HA 0.132 4.873 4.740 0.001 0.000 0.192 202 N C 1.143 176.650 175.510 -0.006 0.000 1.109 202 N CA -0.278 52.787 53.050 0.026 0.000 0.855 202 N CB 0.531 39.044 38.487 0.044 0.000 0.974 202 N HN 0.380 nan 8.380 nan 0.000 0.482 203 G N 0.086 108.865 108.800 -0.035 0.000 2.630 203 G HA2 0.014 3.975 3.960 0.001 0.000 0.223 203 G HA3 0.014 3.975 3.960 0.001 0.000 0.223 203 G C 0.934 175.778 174.900 -0.093 0.000 1.434 203 G CA -0.079 44.988 45.100 -0.054 0.000 1.057 203 G HN -0.070 nan 8.290 nan 0.000 0.570 204 T N -0.448 114.052 114.554 -0.091 0.000 2.720 204 T HA -0.062 4.289 4.350 0.001 0.000 0.268 204 T C 0.976 175.607 174.700 -0.115 0.000 1.037 204 T CA 0.940 62.997 62.100 -0.072 0.000 1.144 204 T CB -0.137 68.709 68.868 -0.035 0.000 0.864 204 T HN 0.100 nan 8.240 nan 0.000 0.444 205 V N 2.844 122.600 119.914 -0.263 0.000 2.398 205 V HA 0.339 4.460 4.120 0.001 0.000 0.286 205 V C 0.109 175.833 176.094 -0.616 0.000 1.026 205 V CA -1.168 60.901 62.300 -0.385 0.000 0.868 205 V CB 1.562 33.120 31.823 -0.442 0.000 0.982 205 V HN 0.252 nan 8.190 nan 0.000 0.443 206 N N 3.763 122.270 118.700 -0.322 0.000 2.807 206 N HA 0.154 4.894 4.740 0.001 0.000 0.259 206 N C 0.861 176.252 175.510 -0.199 0.000 1.149 206 N CA 0.083 52.999 53.050 -0.223 0.000 1.042 206 N CB -0.041 38.393 38.487 -0.087 0.000 1.367 206 N HN 0.661 nan 8.380 nan 0.000 0.516 207 Y N 0.833 121.112 120.300 -0.035 0.000 2.069 207 Y HA -0.300 4.251 4.550 0.001 0.000 0.278 207 Y C 2.052 177.869 175.900 -0.138 0.000 1.175 207 Y CA 0.848 58.893 58.100 -0.092 0.000 1.134 207 Y CB -0.067 38.392 38.460 -0.001 0.000 0.965 207 Y HN 0.379 nan 8.280 nan 0.000 0.498 208 L N 0.902 122.100 121.223 -0.041 0.000 2.012 208 L HA -0.214 4.127 4.340 0.001 0.000 0.210 208 L C 2.333 179.123 176.870 -0.133 0.000 1.073 208 L CA 1.902 56.587 54.840 -0.259 0.000 0.748 208 L CB -0.742 40.964 42.059 -0.589 0.000 0.891 208 L HN 0.140 nan 8.230 nan 0.000 0.431 209 K N -0.924 119.429 120.400 -0.078 0.000 2.026 209 K HA -0.181 4.139 4.320 0.001 0.000 0.208 209 K C 1.948 178.546 176.600 -0.003 0.000 1.048 209 K CA 1.475 57.743 56.287 -0.031 0.000 0.929 209 K CB -0.080 32.412 32.500 -0.013 0.000 0.713 209 K HN 0.333 nan 8.250 nan 0.000 0.439 210 E N 0.418 120.623 120.200 0.008 0.000 2.085 210 E HA -0.192 4.159 4.350 0.001 0.000 0.194 210 E C 1.957 178.588 176.600 0.051 0.000 0.994 210 E CA 1.233 57.678 56.400 0.075 0.000 0.801 210 E CB -0.261 29.471 29.700 0.054 0.000 0.743 210 E HN 0.449 nan 8.360 nan 0.000 0.453 211 A N 1.472 124.278 122.820 -0.023 0.000 1.877 211 A HA -0.241 4.080 4.320 0.001 0.000 0.216 211 A C 2.173 179.692 177.584 -0.109 0.000 1.186 211 A CA 1.646 53.633 52.037 -0.084 0.000 0.620 211 A CB -0.606 18.291 19.000 -0.172 0.000 0.822 211 A HN 0.228 nan 8.150 nan 0.000 0.443 212 Q N -0.410 119.344 119.800 -0.078 0.000 2.096 212 Q HA -0.196 4.145 4.340 0.001 0.000 0.204 212 Q C 1.525 177.523 176.000 -0.003 0.000 0.982 212 Q CA 1.504 57.282 55.803 -0.042 0.000 0.850 212 Q CB -0.272 28.462 28.738 -0.006 0.000 0.901 212 Q HN 0.599 nan 8.270 nan 0.000 0.422 213 D N 0.374 120.786 120.400 0.020 0.000 2.117 213 D HA -0.148 4.492 4.640 0.001 0.000 0.198 213 D C 1.758 178.092 176.300 0.056 0.000 0.982 213 D CA 1.014 55.044 54.000 0.049 0.000 0.828 213 D CB -0.161 40.678 40.800 0.066 0.000 0.967 213 D HN 0.207 nan 8.370 nan 0.000 0.464 214 M N 0.089 119.718 119.600 0.048 0.000 2.132 214 M HA -0.108 4.373 4.480 0.001 0.000 0.263 214 M C 2.007 178.317 176.300 0.016 0.000 1.065 214 M CA 1.188 56.523 55.300 0.059 0.000 1.122 214 M CB 0.075 32.725 32.600 0.083 0.000 1.365 214 M HN -0.073 nan 8.290 nan 0.000 0.411 215 I N -0.740 119.768 120.570 -0.103 0.000 2.202 215 I HA -0.273 3.898 4.170 0.001 0.000 0.242 215 I C 2.057 178.270 176.117 0.159 0.000 1.091 215 I CA 1.544 62.726 61.300 -0.196 0.000 1.368 215 I CB -0.529 37.130 38.000 -0.569 0.000 1.058 215 I HN 0.323 nan 8.210 nan 0.000 0.410 216 T N 0.172 114.811 114.554 0.143 0.000 2.814 216 T HA -0.043 4.308 4.350 0.001 0.000 0.254 216 T C 1.826 176.606 174.700 0.134 0.000 1.037 216 T CA 0.864 63.077 62.100 0.188 0.000 1.143 216 T CB -0.048 68.906 68.868 0.144 0.000 0.866 216 T HN 0.219 nan 8.240 nan 0.000 0.431 217 K N 0.629 121.089 120.400 0.100 0.000 2.366 217 K HA 0.130 4.451 4.320 0.001 0.000 0.198 217 K C 2.142 178.798 176.600 0.093 0.000 1.044 217 K CA 0.713 57.050 56.287 0.084 0.000 0.973 217 K CB 0.028 32.570 32.500 0.071 0.000 0.767 217 K HN 0.337 nan 8.250 nan 0.000 0.475 218 G N 1.067 109.934 108.800 0.112 0.000 2.728 218 G HA2 -0.005 3.956 3.960 0.001 0.000 0.223 218 G HA3 -0.005 3.956 3.960 0.001 0.000 0.223 218 G C 1.393 176.386 174.900 0.156 0.000 1.379 218 G CA -0.224 44.950 45.100 0.123 0.000 0.870 218 G HN -0.015 nan 8.290 nan 0.000 0.591 219 I N 1.028 121.723 120.570 0.208 0.000 2.179 219 I HA -0.128 4.043 4.170 0.001 0.000 0.242 219 I C 2.700 179.012 176.117 0.325 0.000 1.088 219 I CA 1.558 63.038 61.300 0.299 0.000 1.357 219 I CB -0.194 38.050 38.000 0.406 0.000 1.051 219 I HN 0.174 nan 8.210 nan 0.000 0.409 220 K N 1.541 122.157 120.400 0.359 0.000 2.002 220 K HA -0.202 4.119 4.320 0.001 0.000 0.209 220 K C 2.263 178.892 176.600 0.049 0.000 1.048 220 K CA 1.663 58.025 56.287 0.125 0.000 0.930 220 K CB -0.171 32.362 32.500 0.054 0.000 0.714 220 K HN 0.275 nan 8.250 nan 0.000 0.438 221 A N 0.355 123.220 122.820 0.075 0.000 1.883 221 A HA -0.132 4.188 4.320 0.001 0.000 0.217 221 A C 2.119 179.726 177.584 0.039 0.000 1.186 221 A CA 2.253 54.317 52.037 0.045 0.000 0.624 221 A CB -0.483 18.551 19.000 0.056 0.000 0.822 221 A HN 0.396 nan 8.150 nan 0.000 0.444 222 S N -0.811 114.925 115.700 0.060 0.000 2.483 222 S HA 0.033 4.504 4.470 0.001 0.000 0.221 222 S C 1.450 176.063 174.600 0.021 0.000 1.030 222 S CA 0.389 58.612 58.200 0.039 0.000 0.925 222 S CB -0.028 63.204 63.200 0.053 0.000 0.795 222 S HN 0.649 nan 8.310 nan 0.000 0.511 223 N N 0.777 119.515 118.700 0.063 0.000 2.348 223 N HA 0.151 4.892 4.740 0.001 0.000 0.183 223 N C -0.116 175.428 175.510 0.057 0.000 1.094 223 N CA 0.228 53.315 53.050 0.060 0.000 0.885 223 N CB 0.459 39.021 38.487 0.125 0.000 1.065 223 N HN 0.119 nan 8.380 nan 0.000 0.472 224 V N 3.216 123.155 119.914 0.043 0.000 2.427 224 V HA 0.103 4.224 4.120 0.001 0.000 0.268 224 V C 0.888 176.954 176.094 -0.046 0.000 1.046 224 V CA -0.326 61.960 62.300 -0.024 0.000 0.970 224 V CB 0.544 32.277 31.823 -0.149 0.000 1.001 224 V HN 0.265 nan 8.190 nan 0.000 0.476 225 T N 1.937 116.465 114.554 -0.042 0.000 2.849 225 T HA 0.175 4.526 4.350 0.001 0.000 0.284 225 T C 1.115 175.783 174.700 -0.052 0.000 1.004 225 T CA -0.693 61.382 62.100 -0.041 0.000 1.021 225 T CB 0.615 69.466 68.868 -0.030 0.000 1.013 225 T HN 0.515 nan 8.240 nan 0.000 0.527 226 N N 1.502 120.178 118.700 -0.040 0.000 2.364 226 N HA -0.103 4.638 4.740 0.001 0.000 0.183 226 N C 1.111 176.596 175.510 -0.042 0.000 1.022 226 N CA 1.229 54.255 53.050 -0.040 0.000 0.883 226 N CB -0.546 37.925 38.487 -0.027 0.000 0.965 226 N HN 0.855 nan 8.380 nan 0.000 0.438 227 N N 0.310 118.986 118.700 -0.040 0.000 2.268 227 N HA 0.045 4.786 4.740 0.001 0.000 0.204 227 N C -0.489 174.984 175.510 -0.061 0.000 1.124 227 N CA -0.231 52.795 53.050 -0.040 0.000 0.838 227 N CB -0.131 38.341 38.487 -0.025 0.000 0.994 227 N HN -0.148 nan 8.380 nan 0.000 0.489 228 N N -0.077 118.578 118.700 -0.076 0.000 2.740 228 N HA -0.194 4.546 4.740 0.001 0.000 0.248 228 N C -0.907 174.528 175.510 -0.124 0.000 1.062 228 N CA 0.815 53.804 53.050 -0.101 0.000 0.704 228 N CB -1.060 37.367 38.487 -0.101 0.000 0.968 228 N HN 0.671 nan 8.380 nan 0.000 0.547 229 Q N -0.574 119.165 119.800 -0.101 0.000 2.962 229 Q HA 0.724 5.064 4.340 0.001 0.000 0.282 229 Q C -0.191 175.781 176.000 -0.046 0.000 1.058 229 Q CA -0.789 54.941 55.803 -0.122 0.000 0.854 229 Q CB 1.398 30.093 28.738 -0.072 0.000 1.441 229 Q HN 0.192 nan 8.270 nan 0.000 0.497 230 L N 2.290 123.525 121.223 0.019 0.000 2.356 230 L HA 0.387 4.728 4.340 0.001 0.000 0.277 230 L C -0.477 176.456 176.870 0.106 0.000 0.996 230 L CA -0.889 54.008 54.840 0.095 0.000 0.822 230 L CB 1.349 43.512 42.059 0.173 0.000 1.256 230 L HN 0.672 nan 8.230 nan 0.000 0.413 231 N N 3.480 122.205 118.700 0.041 0.000 2.374 231 N HA 0.232 4.973 4.740 0.001 0.000 0.284 231 N C 0.586 176.084 175.510 -0.020 0.000 1.280 231 N CA -0.495 52.546 53.050 -0.014 0.000 0.963 231 N CB 0.532 38.948 38.487 -0.119 0.000 1.141 231 N HN 0.505 nan 8.380 nan 0.000 0.565 232 L N -2.305 118.842 121.223 -0.126 0.000 2.341 232 L HA 0.322 4.663 4.340 0.001 0.000 0.214 232 L C 1.170 177.969 176.870 -0.118 0.000 1.115 232 L CA 0.633 55.446 54.840 -0.045 0.000 0.820 232 L CB -0.773 41.334 42.059 0.080 0.000 0.944 232 L HN 0.853 nan 8.230 nan 0.000 0.452 233 G N -0.647 107.899 108.800 -0.424 0.000 2.356 233 G HA2 0.098 4.058 3.960 0.001 0.000 0.294 233 G HA3 0.098 4.058 3.960 0.001 0.000 0.294 233 G C -0.926 173.730 174.900 -0.407 0.000 1.423 233 G CA 0.067 44.989 45.100 -0.297 0.000 0.806 233 G HN 0.028 nan 8.290 nan 0.000 0.527 234 D N -0.686 119.660 120.400 -0.090 0.000 2.378 234 D HA -0.067 4.573 4.640 0.001 0.000 0.227 234 D C 1.714 178.015 176.300 0.002 0.000 1.012 234 D CA 1.204 55.189 54.000 -0.025 0.000 0.905 234 D CB -0.230 40.623 40.800 0.089 0.000 0.895 234 D HN 0.667 nan 8.370 nan 0.000 0.532 235 W N 0.116 121.451 121.300 0.059 0.000 2.863 235 W HA 0.259 4.919 4.660 0.001 0.000 0.258 235 W C -0.045 176.493 176.519 0.031 0.000 1.298 235 W CA -0.544 56.824 57.345 0.039 0.000 1.451 235 W CB -0.602 28.876 29.460 0.030 0.000 1.107 235 W HN -0.210 nan 8.180 nan 0.000 0.641 236 D N 2.003 121.956 120.400 -0.744 0.000 2.358 236 D HA 0.099 4.740 4.640 0.001 0.000 0.244 236 D C -0.028 176.132 176.300 -0.234 0.000 1.163 236 D CA -0.046 53.556 54.000 -0.664 0.000 0.945 236 D CB 1.785 41.975 40.800 -1.017 0.000 1.152 236 D HN -0.182 nan 8.370 nan 0.000 0.451 237 S N 0.851 116.473 115.700 -0.129 0.000 2.585 237 S HA 0.041 4.511 4.470 0.001 0.000 0.273 237 S C 0.971 175.536 174.600 -0.058 0.000 1.339 237 S CA -0.331 57.837 58.200 -0.052 0.000 1.028 237 S CB 0.875 64.067 63.200 -0.012 0.000 0.906 237 S HN 0.425 nan 8.310 nan 0.000 0.528 238 K N 1.879 122.260 120.400 -0.032 0.000 2.365 238 K HA 0.041 4.362 4.320 0.001 0.000 0.199 238 K C 1.486 178.072 176.600 -0.024 0.000 1.045 238 K CA 1.494 57.764 56.287 -0.028 0.000 0.962 238 K CB -0.213 32.277 32.500 -0.017 0.000 0.759 238 K HN 0.576 nan 8.250 nan 0.000 0.469 239 S N -1.445 114.245 115.700 -0.016 0.000 2.593 239 S HA 0.188 4.658 4.470 0.001 0.000 0.236 239 S C 0.313 174.912 174.600 -0.002 0.000 0.991 239 S CA -0.564 57.631 58.200 -0.008 0.000 0.963 239 S CB 0.004 63.203 63.200 -0.001 0.000 0.865 239 S HN 0.124 nan 8.310 nan 0.000 0.488 240 S N 1.084 116.778 115.700 -0.010 0.000 2.558 240 S HA 0.282 4.753 4.470 0.001 0.000 0.288 240 S C 0.546 175.159 174.600 0.021 0.000 1.318 240 S CA -0.347 57.854 58.200 0.002 0.000 1.056 240 S CB 0.130 63.310 63.200 -0.033 0.000 0.853 240 S HN 0.586 nan 8.310 nan 0.000 0.505 241 L N 2.992 124.241 121.223 0.044 0.000 2.857 241 L HA 0.331 4.672 4.340 0.001 0.000 0.249 241 L C -0.325 176.591 176.870 0.076 0.000 1.172 241 L CA -0.172 54.700 54.840 0.054 0.000 0.980 241 L CB 0.266 42.354 42.059 0.048 0.000 1.299 241 L HN 0.536 nan 8.230 nan 0.000 0.535 242 D N 0.426 120.885 120.400 0.099 0.000 2.225 242 D HA 0.359 4.999 4.640 0.001 0.000 0.248 242 D C 0.015 176.412 176.300 0.162 0.000 1.096 242 D CA 0.426 54.513 54.000 0.145 0.000 0.863 242 D CB 2.207 43.174 40.800 0.280 0.000 1.156 242 D HN -0.175 nan 8.370 nan 0.000 0.450 243 T N 0.952 115.617 114.554 0.184 0.000 2.868 243 T HA 0.445 4.796 4.350 0.001 0.000 0.306 243 T C -1.336 173.452 174.700 0.147 0.000 1.224 243 T CA -0.827 61.410 62.100 0.228 0.000 1.012 243 T CB 1.403 70.474 68.868 0.338 0.000 1.221 243 T HN 0.334 nan 8.240 nan 0.000 0.499 244 R N 3.768 124.291 120.500 0.038 0.000 2.320 244 R HA 0.414 4.754 4.340 0.001 0.000 0.319 244 R C -2.155 173.782 176.300 -0.604 0.000 0.969 244 R CA -2.070 53.838 56.100 -0.320 0.000 0.857 244 R CB 1.255 31.407 30.300 -0.247 0.000 1.160 244 R HN 0.355 nan 8.270 nan 0.000 0.491 245 P HA -0.202 nan 4.420 nan 0.000 0.218 245 P C 0.808 177.517 177.300 -0.985 0.000 1.146 245 P CA 1.465 63.497 63.100 -1.780 0.000 0.820 245 P CB 0.269 31.070 31.700 -1.500 0.000 0.778 246 S N -2.025 113.311 115.700 -0.606 0.000 2.547 246 S HA -0.092 4.379 4.470 0.001 0.000 0.235 246 S C 1.231 175.704 174.600 -0.211 0.000 0.980 246 S CA 0.936 58.918 58.200 -0.363 0.000 0.941 246 S CB -0.829 62.173 63.200 -0.330 0.000 0.763 246 S HN 0.109 nan 8.310 nan 0.000 0.532 247 D N 0.296 120.581 120.400 -0.191 0.000 2.348 247 D HA 0.074 4.714 4.640 0.001 0.000 0.211 247 D C -0.323 176.077 176.300 0.167 0.000 0.998 247 D CA 0.158 54.171 54.000 0.023 0.000 0.873 247 D CB -0.145 40.724 40.800 0.115 0.000 0.925 247 D HN 0.534 nan 8.370 nan 0.000 0.524 248 W N 1.674 122.894 121.300 -0.133 0.000 1.371 248 W HA 0.252 4.913 4.660 0.001 0.000 0.482 248 W C 0.158 176.532 176.519 -0.242 0.000 0.640 248 W CA -0.729 56.517 57.345 -0.165 0.000 2.164 248 W CB -1.622 27.742 29.460 -0.160 0.000 1.613 248 W HN -0.082 nan 8.180 nan 0.000 0.212 249 M N 2.604 122.146 119.600 -0.098 0.000 3.237 249 M HA 0.005 4.485 4.480 0.001 0.000 0.266 249 M C 1.430 177.533 176.300 -0.329 0.000 1.456 249 M CA -0.042 55.048 55.300 -0.349 0.000 1.593 249 M CB 0.226 32.421 32.600 -0.675 0.000 1.129 249 M HN 0.017 nan 8.290 nan 0.000 0.547 250 M N 0.244 119.695 119.600 -0.247 0.000 2.103 250 M HA -0.211 4.270 4.480 0.001 0.000 0.255 250 M C 2.336 178.502 176.300 -0.224 0.000 1.074 250 M CA 2.392 57.560 55.300 -0.219 0.000 1.090 250 M CB -1.677 30.814 32.600 -0.182 0.000 1.325 250 M HN 0.675 nan 8.290 nan 0.000 0.403 251 S N -1.118 114.451 115.700 -0.217 0.000 2.423 251 S HA -0.150 4.320 4.470 0.001 0.000 0.231 251 S C 1.729 176.269 174.600 -0.100 0.000 1.014 251 S CA 1.116 59.241 58.200 -0.124 0.000 0.965 251 S CB -0.694 62.472 63.200 -0.056 0.000 0.785 251 S HN 0.454 nan 8.310 nan 0.000 0.495 252 H N 2.109 120.899 119.070 -0.466 0.000 2.326 252 H HA 0.208 4.765 4.556 0.001 0.000 0.301 252 H C 2.053 176.914 175.328 -0.779 0.000 1.081 252 H CA 1.405 57.081 56.048 -0.618 0.000 1.334 252 H CB -0.674 28.639 29.762 -0.749 0.000 1.385 252 H HN 0.314 nan 8.280 nan 0.000 0.504 253 L N -0.072 120.796 121.223 -0.592 0.000 2.127 253 L HA -0.184 4.157 4.340 0.001 0.000 0.211 253 L C 2.543 179.305 176.870 -0.179 0.000 1.089 253 L CA 1.011 55.546 54.840 -0.508 0.000 0.757 253 L CB -0.333 41.628 42.059 -0.163 0.000 0.899 253 L HN 0.205 nan 8.230 nan 0.000 0.434 254 R N 0.419 120.781 120.500 -0.229 0.000 2.081 254 R HA -0.117 4.224 4.340 0.001 0.000 0.235 254 R C 2.362 178.680 176.300 0.030 0.000 1.131 254 R CA 1.580 57.513 56.100 -0.280 0.000 0.960 254 R CB -0.817 28.781 30.300 -1.171 0.000 0.856 254 R HN 0.374 nan 8.270 nan 0.000 0.436 255 A N 0.764 123.682 122.820 0.164 0.000 1.930 255 A HA -0.114 4.206 4.320 0.001 0.000 0.217 255 A C 1.961 179.868 177.584 0.539 0.000 1.175 255 A CA 0.957 53.281 52.037 0.478 0.000 0.627 255 A CB -0.538 18.835 19.000 0.621 0.000 0.815 255 A HN 0.121 nan 8.150 nan 0.000 0.443 256 F N -1.192 118.778 119.950 0.034 0.000 2.126 256 F HA -0.160 4.368 4.527 0.001 0.000 0.299 256 F C 2.222 178.011 175.800 -0.020 0.000 1.096 256 F CA 0.832 58.689 58.000 -0.239 0.000 1.255 256 F CB -1.454 36.911 39.000 -1.058 0.000 0.997 256 F HN 0.501 nan 8.300 nan 0.000 0.479 257 Y N 1.177 121.623 120.300 0.244 0.000 2.114 257 Y HA -0.192 4.359 4.550 0.001 0.000 0.284 257 Y C 2.256 178.283 175.900 0.211 0.000 1.143 257 Y CA 1.921 60.208 58.100 0.312 0.000 1.135 257 Y CB -0.779 37.829 38.460 0.247 0.000 0.980 257 Y HN 0.164 nan 8.280 nan 0.000 0.499 258 E N -0.849 119.294 120.200 -0.095 0.000 2.118 258 E HA -0.200 4.150 4.350 0.001 0.000 0.195 258 E C 1.673 178.068 176.600 -0.341 0.000 0.992 258 E CA 1.456 57.674 56.400 -0.302 0.000 0.804 258 E CB -0.329 29.298 29.700 -0.121 0.000 0.741 258 E HN 0.501 nan 8.360 nan 0.000 0.458 259 F N -0.379 119.556 119.950 -0.025 0.000 2.776 259 F HA 0.012 4.540 4.527 0.001 0.000 0.300 259 F C 2.258 178.038 175.800 -0.034 0.000 1.116 259 F CA 1.045 59.033 58.000 -0.019 0.000 1.375 259 F CB 0.471 39.474 39.000 0.005 0.000 1.109 259 F HN 0.040 nan 8.300 nan 0.000 0.585 260 T N -5.585 109.033 114.554 0.107 0.000 2.964 260 T HA 0.377 4.728 4.350 0.001 0.000 0.250 260 T C 1.831 176.562 174.700 0.051 0.000 0.982 260 T CA 0.588 62.757 62.100 0.115 0.000 0.959 260 T CB 0.391 69.400 68.868 0.234 0.000 1.141 260 T HN 0.216 nan 8.240 nan 0.000 0.494 261 G N 1.720 110.465 108.800 -0.093 0.000 2.184 261 G HA2 -0.228 3.732 3.960 0.001 0.000 0.264 261 G HA3 -0.228 3.732 3.960 0.001 0.000 0.264 261 G C -0.188 174.790 174.900 0.130 0.000 0.975 261 G CA 0.215 45.229 45.100 -0.144 0.000 0.642 261 G HN 0.717 nan 8.290 nan 0.000 0.536 262 D N 0.710 121.276 120.400 0.276 0.000 2.352 262 D HA 0.318 4.958 4.640 0.001 0.000 0.245 262 D C 1.577 178.154 176.300 0.461 0.000 1.224 262 D CA -0.263 53.931 54.000 0.323 0.000 0.879 262 D CB 0.414 41.395 40.800 0.302 0.000 1.057 262 D HN 0.364 nan 8.370 nan 0.000 0.491 263 K N 1.629 122.219 120.400 0.317 0.000 2.442 263 K HA -0.082 4.239 4.320 0.001 0.000 0.198 263 K C 1.637 178.252 176.600 0.025 0.000 1.044 263 K CA 0.692 57.081 56.287 0.170 0.000 0.948 263 K CB 0.181 32.726 32.500 0.074 0.000 0.762 263 K HN 0.405 nan 8.250 nan 0.000 0.472 264 T N 0.463 114.975 114.554 -0.070 0.000 2.737 264 T HA -0.184 4.166 4.350 0.001 0.000 0.269 264 T C 1.280 175.815 174.700 -0.275 0.000 1.040 264 T CA 1.469 63.409 62.100 -0.267 0.000 1.142 264 T CB -0.254 68.314 68.868 -0.501 0.000 0.861 264 T HN 0.458 nan 8.240 nan 0.000 0.456 265 W N 1.043 122.415 121.300 0.120 0.000 2.402 265 W HA 0.120 4.781 4.660 0.001 0.000 0.286 265 W C 2.034 178.553 176.519 -0.000 0.000 1.221 265 W CA 0.016 57.428 57.345 0.113 0.000 1.257 265 W CB -0.493 29.118 29.460 0.252 0.000 1.120 265 W HN 0.207 nan 8.180 nan 0.000 0.551 266 L N -0.607 120.673 121.223 0.096 0.000 2.109 266 L HA -0.130 4.211 4.340 0.001 0.000 0.207 266 L C 2.320 179.161 176.870 -0.049 0.000 1.086 266 L CA 1.228 56.029 54.840 -0.065 0.000 0.760 266 L CB -1.268 40.625 42.059 -0.276 0.000 0.910 266 L HN -0.081 nan 8.230 nan 0.000 0.437 267 T N -0.330 114.189 114.554 -0.058 0.000 2.746 267 T HA -0.140 4.211 4.350 0.001 0.000 0.267 267 T C 2.042 176.700 174.700 -0.069 0.000 1.039 267 T CA 1.206 63.266 62.100 -0.068 0.000 1.142 267 T CB -0.171 68.646 68.868 -0.084 0.000 0.866 267 T HN 0.045 nan 8.240 nan 0.000 0.444 268 V N 1.320 121.196 119.914 -0.063 0.000 2.307 268 V HA -0.123 3.998 4.120 0.001 0.000 0.245 268 V C 2.397 178.429 176.094 -0.104 0.000 1.045 268 V CA 1.385 63.638 62.300 -0.079 0.000 1.024 268 V CB -0.602 31.214 31.823 -0.011 0.000 0.651 268 V HN 0.467 nan 8.190 nan 0.000 0.449 269 I N 0.585 121.129 120.570 -0.043 0.000 2.118 269 I HA -0.285 3.886 4.170 0.001 0.000 0.241 269 I C 2.429 178.537 176.117 -0.016 0.000 1.070 269 I CA 1.779 63.038 61.300 -0.069 0.000 1.327 269 I CB -0.575 37.429 38.000 0.006 0.000 1.034 269 I HN 0.380 nan 8.210 nan 0.000 0.405 270 N N 0.833 119.550 118.700 0.030 0.000 2.120 270 N HA -0.215 4.525 4.740 0.001 0.000 0.188 270 N C 1.640 177.162 175.510 0.020 0.000 1.024 270 N CA 1.533 54.624 53.050 0.069 0.000 0.852 270 N CB -0.771 37.724 38.487 0.013 0.000 1.003 270 N HN 0.376 nan 8.380 nan 0.000 0.424 271 N N 1.017 119.680 118.700 -0.062 0.000 2.142 271 N HA 0.005 4.745 4.740 0.001 0.000 0.186 271 N C 1.720 177.118 175.510 -0.187 0.000 1.023 271 N CA 0.635 53.624 53.050 -0.101 0.000 0.852 271 N CB -0.187 38.226 38.487 -0.124 0.000 0.998 271 N HN 0.154 nan 8.380 nan 0.000 0.424 272 L N -0.828 120.192 121.223 -0.339 0.000 2.131 272 L HA -0.170 4.171 4.340 0.001 0.000 0.210 272 L C 1.660 178.298 176.870 -0.387 0.000 1.092 272 L CA 0.902 55.348 54.840 -0.657 0.000 0.759 272 L CB -0.502 40.998 42.059 -0.931 0.000 0.903 272 L HN 0.256 nan 8.230 nan 0.000 0.435 273 Y N 0.319 120.540 120.300 -0.130 0.000 2.242 273 Y HA -0.219 4.331 4.550 0.001 0.000 0.291 273 Y C 2.472 178.395 175.900 0.038 0.000 1.137 273 Y CA 1.067 59.159 58.100 -0.013 0.000 1.181 273 Y CB -0.348 38.090 38.460 -0.036 0.000 0.989 273 Y HN 0.214 nan 8.280 nan 0.000 0.527 274 D N -0.679 119.806 120.400 0.141 0.000 2.117 274 D HA -0.156 4.484 4.640 0.001 0.000 0.197 274 D C 2.374 178.745 176.300 0.119 0.000 0.987 274 D CA 1.411 55.474 54.000 0.104 0.000 0.829 274 D CB -0.432 40.395 40.800 0.045 0.000 0.961 274 D HN 0.159 nan 8.370 nan 0.000 0.460 275 V N 0.476 120.421 119.914 0.053 0.000 2.343 275 V HA -0.261 3.860 4.120 0.001 0.000 0.247 275 V C 2.212 178.467 176.094 0.269 0.000 1.051 275 V CA 1.354 63.709 62.300 0.092 0.000 1.036 275 V CB -0.706 31.067 31.823 -0.084 0.000 0.654 275 V HN 0.197 nan 8.190 nan 0.000 0.451 276 Y N 1.306 121.729 120.300 0.205 0.000 2.128 276 Y HA -0.298 4.253 4.550 0.001 0.000 0.284 276 Y C 2.755 178.832 175.900 0.295 0.000 1.154 276 Y CA 2.371 60.678 58.100 0.345 0.000 1.149 276 Y CB -0.258 38.403 38.460 0.335 0.000 0.976 276 Y HN 0.226 nan 8.280 nan 0.000 0.505 277 T N -0.091 114.760 114.554 0.496 0.000 2.777 277 T HA -0.264 4.086 4.350 0.001 0.000 0.266 277 T C 1.738 176.585 174.700 0.245 0.000 1.040 277 T CA 1.622 63.929 62.100 0.345 0.000 1.141 277 T CB -0.315 68.687 68.868 0.224 0.000 0.868 277 T HN 0.455 nan 8.240 nan 0.000 0.444 278 Q N -0.248 119.683 119.800 0.218 0.000 2.124 278 Q HA -0.103 4.237 4.340 0.001 0.000 0.202 278 Q C 2.015 178.131 176.000 0.193 0.000 0.977 278 Q CA 1.317 57.216 55.803 0.161 0.000 0.850 278 Q CB -0.274 28.549 28.738 0.141 0.000 0.901 278 Q HN 0.597 nan 8.270 nan 0.000 0.429 279 F N 0.043 120.070 119.950 0.128 0.000 2.084 279 F HA -0.186 4.342 4.527 0.001 0.000 0.296 279 F C 2.560 178.447 175.800 0.146 0.000 1.111 279 F CA 1.755 59.853 58.000 0.163 0.000 1.224 279 F CB -0.604 38.425 39.000 0.048 0.000 0.991 279 F HN 0.077 nan 8.300 nan 0.000 0.471 280 S N 0.417 116.354 115.700 0.394 0.000 2.368 280 S HA -0.209 4.261 4.470 0.001 0.000 0.225 280 S C 1.855 176.493 174.600 0.064 0.000 1.030 280 S CA 1.694 60.043 58.200 0.250 0.000 0.999 280 S CB -0.598 62.794 63.200 0.319 0.000 0.844 280 S HN 0.490 nan 8.310 nan 0.000 0.459 281 N N 1.203 119.937 118.700 0.057 0.000 2.272 281 N HA -0.079 4.662 4.740 0.001 0.000 0.185 281 N C 1.602 177.038 175.510 -0.124 0.000 1.014 281 N CA 1.021 54.060 53.050 -0.018 0.000 0.870 281 N CB -0.234 38.253 38.487 0.001 0.000 0.975 281 N HN 0.579 nan 8.380 nan 0.000 0.433 282 K N -0.831 119.433 120.400 -0.226 0.000 2.214 282 K HA 0.052 4.373 4.320 0.001 0.000 0.201 282 K C 0.926 177.134 176.600 -0.654 0.000 1.049 282 K CA 0.427 56.426 56.287 -0.479 0.000 0.978 282 K CB 0.120 32.209 32.500 -0.685 0.000 0.842 282 K HN 0.095 nan 8.250 nan 0.000 0.474 283 Y N 0.057 120.135 120.300 -0.369 0.000 2.458 283 Y HA 0.144 4.694 4.550 0.001 0.000 0.254 283 Y C 0.562 176.317 175.900 -0.242 0.000 1.120 283 Y CA -0.001 57.859 58.100 -0.401 0.000 1.282 283 Y CB 1.156 39.137 38.460 -0.798 0.000 1.109 283 Y HN 0.046 nan 8.280 nan 0.000 0.526 284 S N -1.545 114.119 115.700 -0.061 0.000 2.612 284 S HA 0.211 4.682 4.470 0.001 0.000 0.203 284 S C -2.295 172.264 174.600 -0.068 0.000 0.965 284 S CA -0.877 57.290 58.200 -0.055 0.000 1.157 284 S CB 0.324 63.527 63.200 0.005 0.000 1.526 284 S HN -0.046 nan 8.310 nan 0.000 0.423 285 P HA -0.074 nan 4.420 nan 0.000 0.221 285 P C 0.381 177.644 177.300 -0.061 0.000 1.145 285 P CA 1.161 64.225 63.100 -0.060 0.000 0.795 285 P CB 0.012 31.668 31.700 -0.074 0.000 0.775 286 N N -1.377 117.264 118.700 -0.098 0.000 2.227 286 N HA 0.018 4.758 4.740 0.001 0.000 0.196 286 N C 1.496 176.902 175.510 -0.174 0.000 1.142 286 N CA 0.979 53.976 53.050 -0.089 0.000 0.887 286 N CB 0.285 38.739 38.487 -0.055 0.000 1.022 286 N HN 0.297 nan 8.380 nan 0.000 0.500 287 T N -3.788 110.551 114.554 -0.358 0.000 3.018 287 T HA 0.258 4.609 4.350 0.001 0.000 0.246 287 T C 1.448 175.940 174.700 -0.346 0.000 1.026 287 T CA 0.871 62.531 62.100 -0.733 0.000 1.081 287 T CB 0.539 68.601 68.868 -1.344 0.000 0.970 287 T HN 0.118 nan 8.240 nan 0.000 0.475 288 G N 1.737 110.441 108.800 -0.160 0.000 2.162 288 G HA2 -0.212 3.749 3.960 0.001 0.000 0.260 288 G HA3 -0.212 3.749 3.960 0.001 0.000 0.260 288 G C 0.008 174.955 174.900 0.079 0.000 0.976 288 G CA 0.443 45.562 45.100 0.031 0.000 0.655 288 G HN 0.664 nan 8.290 nan 0.000 0.533 289 L N -0.552 120.605 121.223 -0.110 0.000 2.468 289 L HA 0.780 5.120 4.340 0.001 0.000 0.254 289 L C 0.889 177.765 176.870 0.010 0.000 1.171 289 L CA -0.749 54.017 54.840 -0.124 0.000 0.809 289 L CB 1.042 42.867 42.059 -0.389 0.000 1.155 289 L HN 0.244 nan 8.230 nan 0.000 0.473 290 I N -0.847 119.711 120.570 -0.019 0.000 2.969 290 I HA 0.315 4.486 4.170 0.001 0.000 0.307 290 I C -0.143 175.872 176.117 -0.169 0.000 1.149 290 I CA -0.367 60.715 61.300 -0.362 0.000 1.008 290 I CB 2.392 39.842 38.000 -0.916 0.000 1.232 290 I HN 0.756 nan 8.210 nan 0.000 0.435 291 S N 2.702 118.203 115.700 -0.331 0.000 2.617 291 S HA 0.217 4.688 4.470 0.001 0.000 0.269 291 S C 0.454 174.887 174.600 -0.277 0.000 1.292 291 S CA -0.505 57.620 58.200 -0.124 0.000 1.010 291 S CB 1.330 64.532 63.200 0.003 0.000 0.944 291 S HN 0.664 nan 8.310 nan 0.000 0.536 292 D N 0.268 120.565 120.400 -0.171 0.000 2.133 292 D HA 0.032 4.673 4.640 0.001 0.000 0.195 292 D C -0.319 175.555 176.300 -0.710 0.000 0.997 292 D CA 1.641 55.422 54.000 -0.364 0.000 0.840 292 D CB -0.177 40.571 40.800 -0.087 0.000 0.947 292 D HN 0.538 nan 8.370 nan 0.000 0.452 293 F N -1.356 118.476 119.950 -0.198 0.000 2.576 293 F HA 0.489 5.017 4.527 0.001 0.000 0.313 293 F C -0.237 175.352 175.800 -0.352 0.000 1.078 293 F CA -1.070 56.761 58.000 -0.283 0.000 0.921 293 F CB 1.967 40.757 39.000 -0.350 0.000 1.232 293 F HN -0.455 nan 8.300 nan 0.000 0.459 294 V N 2.904 122.733 119.914 -0.143 0.000 2.735 294 V HA 0.800 4.920 4.120 0.001 0.000 0.310 294 V C -0.842 175.206 176.094 -0.076 0.000 1.061 294 V CA -0.841 61.385 62.300 -0.123 0.000 0.913 294 V CB 2.159 33.901 31.823 -0.135 0.000 1.005 294 V HN 0.663 nan 8.190 nan 0.000 0.428 295 V N 1.400 121.278 119.914 -0.059 0.000 3.040 295 V HA 0.842 4.962 4.120 0.001 0.000 0.312 295 V C -0.525 175.585 176.094 0.026 0.000 1.115 295 V CA -0.992 61.286 62.300 -0.036 0.000 0.998 295 V CB 1.634 33.398 31.823 -0.097 0.000 1.042 295 V HN 0.935 nan 8.190 nan 0.000 0.433 296 K N 0.735 121.159 120.400 0.041 0.000 1.004 296 K HA -0.193 4.127 4.320 0.001 0.000 0.819 296 K C -0.572 176.067 176.600 0.065 0.000 2.144 296 K CA 0.795 57.112 56.287 0.050 0.000 1.464 296 K CB -0.599 31.928 32.500 0.044 0.000 2.730 296 K HN 1.144 nan 8.250 nan 0.000 0.209 297 N N 1.249 119.983 118.700 0.058 0.000 2.542 297 N HA 0.311 5.052 4.740 0.001 0.000 0.288 297 N C -2.903 172.639 175.510 0.053 0.000 1.115 297 N CA -1.196 51.890 53.050 0.060 0.000 0.924 297 N CB 1.409 39.921 38.487 0.042 0.000 1.526 297 N HN 0.303 nan 8.380 nan 0.000 0.515 298 P HA 0.183 nan 4.420 nan 0.000 0.267 298 P C -2.565 174.810 177.300 0.125 0.000 1.201 298 P CA -0.499 62.655 63.100 0.091 0.000 0.775 298 P CB 0.058 31.809 31.700 0.085 0.000 0.854 299 P HA 0.049 nan 4.420 nan 0.000 0.271 299 P C -0.882 176.563 177.300 0.242 0.000 1.216 299 P CA 0.137 63.376 63.100 0.231 0.000 0.771 299 P CB 0.909 32.804 31.700 0.325 0.000 0.864 300 Q N 2.848 122.717 119.800 0.116 0.000 2.495 300 Q HA 0.498 4.838 4.340 0.001 0.000 0.287 300 Q C -2.683 173.249 176.000 -0.114 0.000 1.078 300 Q CA -2.447 53.224 55.803 -0.220 0.000 0.793 300 Q CB 1.712 30.353 28.738 -0.161 0.000 1.459 300 Q HN 0.296 nan 8.270 nan 0.000 0.422 301 P HA 0.042 nan 4.420 nan 0.000 0.271 301 P C -1.100 176.133 177.300 -0.112 0.000 1.218 301 P CA 0.166 63.231 63.100 -0.057 0.000 0.780 301 P CB 0.517 32.124 31.700 -0.155 0.000 0.901 302 A N 5.323 128.069 122.820 -0.125 0.000 2.386 302 A HA 0.403 4.724 4.320 0.001 0.000 0.246 302 A C -1.949 175.577 177.584 -0.097 0.000 1.089 302 A CA -1.003 50.884 52.037 -0.250 0.000 0.790 302 A CB -1.124 17.563 19.000 -0.522 0.000 1.042 302 A HN 0.432 nan 8.150 nan 0.000 0.497 303 P HA 0.177 nan 4.420 nan 0.000 0.274 303 P C -0.738 176.606 177.300 0.073 0.000 1.256 303 P CA -0.316 62.808 63.100 0.040 0.000 0.795 303 P CB 0.511 32.261 31.700 0.084 0.000 1.038 304 K N 0.318 120.744 120.400 0.043 0.000 2.258 304 K HA 0.048 4.369 4.320 0.001 0.000 0.264 304 K C 0.233 176.851 176.600 0.030 0.000 1.007 304 K CA 0.022 56.320 56.287 0.018 0.000 0.941 304 K CB -0.194 32.282 32.500 -0.039 0.000 0.966 304 K HN 0.460 nan 8.250 nan 0.000 0.480 305 D N 0.742 121.145 120.400 0.005 0.000 2.870 305 D HA -0.233 4.408 4.640 0.001 0.000 0.228 305 D C -0.580 175.729 176.300 0.015 0.000 1.147 305 D CA 0.838 54.832 54.000 -0.010 0.000 0.757 305 D CB -1.494 39.280 40.800 -0.043 0.000 1.091 305 D HN 0.430 nan 8.370 nan 0.000 0.429 306 F N 0.853 120.741 119.950 -0.104 0.000 2.541 306 F HA 0.133 4.660 4.527 0.001 0.000 0.378 306 F C 1.677 177.315 175.800 -0.270 0.000 1.068 306 F CA -0.094 57.793 58.000 -0.189 0.000 1.199 306 F CB 0.232 39.086 39.000 -0.244 0.000 1.091 306 F HN 0.133 nan 8.300 nan 0.000 0.555 307 L N 5.500 126.266 121.223 -0.763 0.000 4.137 307 L HA -0.404 3.937 4.340 0.001 0.000 0.421 307 L C 0.327 177.004 176.870 -0.321 0.000 1.162 307 L CA 0.742 55.215 54.840 -0.612 0.000 0.978 307 L CB -1.671 39.923 42.059 -0.774 0.000 1.957 307 L HN 0.757 nan 8.230 nan 0.000 0.978 308 D N -0.754 119.520 120.400 -0.211 0.000 2.737 308 D HA -0.195 4.446 4.640 0.001 0.000 0.233 308 D C 1.358 177.620 176.300 -0.064 0.000 1.155 308 D CA 1.261 55.195 54.000 -0.111 0.000 0.667 308 D CB -0.063 40.675 40.800 -0.103 0.000 1.060 308 D HN 0.588 nan 8.370 nan 0.000 0.427 309 E N -0.444 119.735 120.200 -0.034 0.000 2.107 309 E HA -0.044 4.306 4.350 0.001 0.000 0.191 309 E C 1.303 177.973 176.600 0.116 0.000 0.982 309 E CA 1.300 57.741 56.400 0.067 0.000 0.809 309 E CB 0.206 30.032 29.700 0.211 0.000 0.756 309 E HN 0.602 nan 8.360 nan 0.000 0.459 310 S N -1.266 114.497 115.700 0.106 0.000 2.645 310 S HA 0.087 4.557 4.470 0.001 0.000 0.268 310 S C 0.146 174.712 174.600 -0.057 0.000 1.110 310 S CA -0.412 57.832 58.200 0.073 0.000 0.823 310 S CB 0.641 63.986 63.200 0.242 0.000 1.091 310 S HN 0.098 nan 8.310 nan 0.000 0.466 311 E N -0.260 119.777 120.200 -0.271 0.000 2.502 311 E HA 0.048 4.398 4.350 0.001 0.000 0.194 311 E C -0.291 175.959 176.600 -0.584 0.000 1.062 311 E CA 0.430 56.562 56.400 -0.448 0.000 0.867 311 E CB -0.462 28.868 29.700 -0.617 0.000 0.888 311 E HN 0.682 nan 8.360 nan 0.000 0.510 312 Y N 1.345 121.548 120.300 -0.162 0.000 2.720 312 Y HA 0.165 4.716 4.550 0.001 0.000 0.277 312 Y C 1.653 177.548 175.900 -0.008 0.000 1.144 312 Y CA -0.073 57.901 58.100 -0.210 0.000 1.221 312 Y CB 0.396 38.440 38.460 -0.694 0.000 1.163 312 Y HN 0.131 nan 8.280 nan 0.000 0.537 313 T N -2.786 111.882 114.554 0.189 0.000 3.051 313 T HA -0.171 4.180 4.350 0.001 0.000 0.269 313 T C 1.451 176.276 174.700 0.208 0.000 1.127 313 T CA 1.314 63.597 62.100 0.306 0.000 1.107 313 T CB -0.215 68.882 68.868 0.383 0.000 0.898 313 T HN 0.439 nan 8.240 nan 0.000 0.517 314 N N 1.752 120.538 118.700 0.144 0.000 2.398 314 N HA 0.297 5.037 4.740 0.001 0.000 0.188 314 N C 0.400 175.990 175.510 0.134 0.000 1.122 314 N CA 0.164 53.272 53.050 0.098 0.000 0.866 314 N CB 0.071 38.598 38.487 0.066 0.000 0.970 314 N HN 0.616 nan 8.380 nan 0.000 0.462 315 A N -0.082 122.849 122.820 0.186 0.000 2.470 315 A HA 0.477 4.798 4.320 0.001 0.000 0.271 315 A C -1.504 176.246 177.584 0.277 0.000 1.269 315 A CA -0.803 51.370 52.037 0.228 0.000 0.828 315 A CB 0.251 19.392 19.000 0.234 0.000 1.374 315 A HN 0.205 nan 8.150 nan 0.000 0.454 316 Y N 1.076 121.499 120.300 0.206 0.000 2.616 316 Y HA 0.435 4.986 4.550 0.001 0.000 0.350 316 Y C -0.519 175.635 175.900 0.423 0.000 1.119 316 Y CA 0.449 58.689 58.100 0.233 0.000 1.467 316 Y CB -0.422 38.191 38.460 0.256 0.000 1.287 316 Y HN 0.610 nan 8.280 nan 0.000 0.504 317 Y N 2.593 122.889 120.300 -0.007 0.000 3.042 317 Y HA 0.177 4.728 4.550 0.001 0.000 0.339 317 Y C 0.705 176.600 175.900 -0.009 0.000 1.299 317 Y CA -1.515 56.690 58.100 0.175 0.000 1.059 317 Y CB -0.089 38.550 38.460 0.297 0.000 1.361 317 Y HN 0.459 nan 8.280 nan 0.000 0.755 318 Y N 0.534 120.655 120.300 -0.299 0.000 2.256 318 Y HA -0.254 4.296 4.550 0.001 0.000 0.288 318 Y C 2.178 177.904 175.900 -0.290 0.000 1.155 318 Y CA 1.776 59.674 58.100 -0.337 0.000 1.203 318 Y CB -0.079 38.223 38.460 -0.264 0.000 0.980 318 Y HN 0.481 nan 8.280 nan 0.000 0.530 319 N N -0.301 118.330 118.700 -0.113 0.000 2.109 319 N HA -0.106 4.635 4.740 0.001 0.000 0.188 319 N C 2.021 177.270 175.510 -0.435 0.000 1.034 319 N CA 1.213 54.123 53.050 -0.234 0.000 0.846 319 N CB -0.429 37.848 38.487 -0.350 0.000 1.010 319 N HN 0.308 nan 8.380 nan 0.000 0.425 320 A N 1.260 123.762 122.820 -0.531 0.000 2.121 320 A HA -0.097 4.223 4.320 0.001 0.000 0.218 320 A C 2.291 179.330 177.584 -0.908 0.000 1.154 320 A CA 1.531 53.177 52.037 -0.651 0.000 0.679 320 A CB -0.592 18.069 19.000 -0.566 0.000 0.795 320 A HN 0.444 nan 8.150 nan 0.000 0.458 321 S N 0.329 115.314 115.700 -1.192 0.000 2.420 321 S HA -0.244 4.227 4.470 0.001 0.000 0.237 321 S C 1.809 175.905 174.600 -0.841 0.000 1.023 321 S CA 1.484 58.878 58.200 -1.345 0.000 0.991 321 S CB -0.459 61.496 63.200 -2.076 0.000 0.792 321 S HN 0.685 nan 8.310 nan 0.000 0.488 322 R N 0.361 120.401 120.500 -0.766 0.000 2.240 322 R HA 0.203 4.543 4.340 0.001 0.000 0.203 322 R C 2.123 178.254 176.300 -0.282 0.000 1.011 322 R CA 0.724 56.411 56.100 -0.688 0.000 1.007 322 R CB -0.506 29.225 30.300 -0.949 0.000 0.911 322 R HN 0.321 nan 8.270 nan 0.000 0.468 323 V N 1.913 121.665 119.914 -0.271 0.000 2.282 323 V HA -0.206 3.915 4.120 0.001 0.000 0.249 323 V C -0.847 175.211 176.094 -0.060 0.000 1.057 323 V CA 2.010 64.227 62.300 -0.140 0.000 1.032 323 V CB -1.089 30.682 31.823 -0.086 0.000 0.645 323 V HN 0.215 nan 8.190 nan 0.000 0.447 324 P HA -0.172 nan 4.420 nan 0.000 0.216 324 P C 1.852 179.121 177.300 -0.052 0.000 1.150 324 P CA 1.278 64.375 63.100 -0.005 0.000 0.843 324 P CB -0.054 31.659 31.700 0.021 0.000 0.787 325 L N -0.762 120.421 121.223 -0.067 0.000 2.044 325 L HA -0.063 4.277 4.340 0.001 0.000 0.205 325 L C 2.214 178.918 176.870 -0.277 0.000 1.075 325 L CA 1.858 56.602 54.840 -0.159 0.000 0.747 325 L CB -0.814 41.166 42.059 -0.132 0.000 0.903 325 L HN -0.240 nan 8.230 nan 0.000 0.435 326 R N 0.051 120.430 120.500 -0.201 0.000 2.105 326 R HA -0.111 4.229 4.340 0.001 0.000 0.239 326 R C 2.149 178.299 176.300 -0.250 0.000 1.135 326 R CA 1.505 57.445 56.100 -0.266 0.000 0.967 326 R CB -0.987 29.198 30.300 -0.192 0.000 0.861 326 R HN 0.403 nan 8.270 nan 0.000 0.442 327 I N -0.150 120.321 120.570 -0.165 0.000 2.235 327 I HA -0.134 4.037 4.170 0.001 0.000 0.241 327 I C 2.460 178.522 176.117 -0.093 0.000 1.085 327 I CA 0.728 61.959 61.300 -0.114 0.000 1.378 327 I CB -1.248 36.691 38.000 -0.102 0.000 1.076 327 I HN -0.083 nan 8.210 nan 0.000 0.415 328 V N 1.119 120.965 119.914 -0.114 0.000 2.568 328 V HA -0.261 3.860 4.120 0.001 0.000 0.253 328 V C 2.514 178.521 176.094 -0.146 0.000 1.072 328 V CA 1.476 63.735 62.300 -0.069 0.000 1.084 328 V CB -0.259 31.544 31.823 -0.033 0.000 0.676 328 V HN 0.312 nan 8.190 nan 0.000 0.469 329 M N -0.592 118.757 119.600 -0.418 0.000 2.279 329 M HA -0.149 4.331 4.480 0.001 0.000 0.264 329 M C 1.839 177.970 176.300 -0.282 0.000 1.062 329 M CA 2.024 56.916 55.300 -0.680 0.000 1.099 329 M CB -0.446 31.488 32.600 -1.111 0.000 1.394 329 M HN 0.369 nan 8.290 nan 0.000 0.426 330 D N -0.301 120.036 120.400 -0.105 0.000 2.117 330 D HA -0.182 4.458 4.640 0.001 0.000 0.198 330 D C 1.728 178.098 176.300 0.116 0.000 0.982 330 D CA 1.204 55.252 54.000 0.078 0.000 0.828 330 D CB -0.056 40.821 40.800 0.127 0.000 0.967 330 D HN 0.394 nan 8.370 nan 0.000 0.464 331 Y N 0.863 121.154 120.300 -0.014 0.000 2.163 331 Y HA -0.041 4.510 4.550 0.001 0.000 0.288 331 Y C 2.123 178.000 175.900 -0.038 0.000 1.136 331 Y CA 1.919 60.010 58.100 -0.014 0.000 1.147 331 Y CB -0.649 37.796 38.460 -0.025 0.000 0.987 331 Y HN -0.010 nan 8.280 nan 0.000 0.509 332 A N 0.444 123.190 122.820 -0.123 0.000 1.883 332 A HA -0.211 4.110 4.320 0.001 0.000 0.217 332 A C 2.252 179.491 177.584 -0.575 0.000 1.186 332 A CA 2.356 54.222 52.037 -0.285 0.000 0.624 332 A CB -0.744 18.227 19.000 -0.048 0.000 0.822 332 A HN 0.594 nan 8.150 nan 0.000 0.444 333 M N -3.080 116.198 119.600 -0.537 0.000 2.394 333 M HA 0.066 4.547 4.480 0.001 0.000 0.266 333 M C 0.976 176.889 176.300 -0.644 0.000 1.098 333 M CA 1.124 56.044 55.300 -0.633 0.000 1.149 333 M CB 0.146 32.421 32.600 -0.541 0.000 1.369 333 M HN 0.517 nan 8.290 nan 0.000 0.450 334 Y N -0.866 119.357 120.300 -0.129 0.000 2.527 334 Y HA 0.405 4.955 4.550 0.001 0.000 0.247 334 Y C 1.423 177.258 175.900 -0.108 0.000 1.138 334 Y CA 0.048 58.109 58.100 -0.064 0.000 1.228 334 Y CB 0.584 39.038 38.460 -0.010 0.000 1.252 334 Y HN 0.347 nan 8.280 nan 0.000 0.531 335 G N 1.178 109.887 108.800 -0.151 0.000 2.153 335 G HA2 -0.370 3.590 3.960 0.001 0.000 0.252 335 G HA3 -0.370 3.590 3.960 0.001 0.000 0.252 335 G C -0.026 174.867 174.900 -0.012 0.000 0.994 335 G CA 0.393 45.342 45.100 -0.252 0.000 0.698 335 G HN 0.302 nan 8.290 nan 0.000 0.521 336 E N 0.723 120.969 120.200 0.077 0.000 2.383 336 E HA 0.346 4.696 4.350 0.001 0.000 0.257 336 E C 1.554 178.235 176.600 0.136 0.000 1.079 336 E CA 0.143 56.581 56.400 0.063 0.000 0.934 336 E CB 0.240 29.951 29.700 0.019 0.000 0.978 336 E HN 0.432 nan 8.360 nan 0.000 0.462 337 K N 3.611 124.047 120.400 0.059 0.000 2.147 337 K HA -0.116 4.205 4.320 0.001 0.000 0.205 337 K C 1.613 178.137 176.600 -0.125 0.000 1.049 337 K CA 1.062 57.361 56.287 0.021 0.000 0.936 337 K CB 0.061 32.558 32.500 -0.006 0.000 0.722 337 K HN 0.421 nan 8.250 nan 0.000 0.446 338 R N 0.164 120.503 120.500 -0.268 0.000 2.152 338 R HA -0.086 4.255 4.340 0.001 0.000 0.232 338 R C 2.500 178.629 176.300 -0.286 0.000 1.117 338 R CA 1.229 57.100 56.100 -0.382 0.000 0.981 338 R CB -0.173 29.669 30.300 -0.764 0.000 0.870 338 R HN 0.103 nan 8.270 nan 0.000 0.451 339 S N 0.979 116.560 115.700 -0.198 0.000 2.371 339 S HA -0.157 4.314 4.470 0.001 0.000 0.224 339 S C 1.941 176.492 174.600 -0.082 0.000 1.029 339 S CA 1.223 59.427 58.200 0.008 0.000 0.978 339 S CB 0.045 63.331 63.200 0.145 0.000 0.833 339 S HN 0.261 nan 8.310 nan 0.000 0.466 340 K N 0.449 120.731 120.400 -0.197 0.000 2.057 340 K HA -0.044 4.276 4.320 0.001 0.000 0.207 340 K C 1.919 178.380 176.600 -0.232 0.000 1.049 340 K CA 1.560 57.608 56.287 -0.399 0.000 0.931 340 K CB -0.308 31.707 32.500 -0.809 0.000 0.714 340 K HN 0.306 nan 8.250 nan 0.000 0.440 341 V N 1.595 121.403 119.914 -0.176 0.000 2.295 341 V HA -0.270 3.851 4.120 0.001 0.000 0.246 341 V C 2.306 178.348 176.094 -0.086 0.000 1.049 341 V CA 1.882 64.112 62.300 -0.117 0.000 1.024 341 V CB -0.325 31.442 31.823 -0.094 0.000 0.648 341 V HN 0.335 nan 8.190 nan 0.000 0.447 342 I N -0.171 120.340 120.570 -0.099 0.000 2.226 342 I HA -0.214 3.956 4.170 0.001 0.000 0.245 342 I C 2.562 178.639 176.117 -0.066 0.000 1.100 342 I CA 1.605 62.839 61.300 -0.110 0.000 1.374 342 I CB -0.347 37.481 38.000 -0.286 0.000 1.057 342 I HN 0.260 nan 8.210 nan 0.000 0.413 343 S N 0.260 115.917 115.700 -0.071 0.000 2.356 343 S HA -0.193 4.277 4.470 0.001 0.000 0.223 343 S C 1.649 176.241 174.600 -0.012 0.000 1.032 343 S CA 1.324 59.508 58.200 -0.026 0.000 1.005 343 S CB -0.310 62.867 63.200 -0.038 0.000 0.867 343 S HN 0.427 nan 8.310 nan 0.000 0.449 344 D N 0.995 121.361 120.400 -0.056 0.000 2.144 344 D HA -0.080 4.561 4.640 0.001 0.000 0.199 344 D C 1.919 178.200 176.300 -0.032 0.000 0.984 344 D CA 0.928 54.895 54.000 -0.055 0.000 0.834 344 D CB -0.165 40.584 40.800 -0.085 0.000 0.955 344 D HN 0.368 nan 8.370 nan 0.000 0.465 345 K N 0.671 121.063 120.400 -0.014 0.000 2.026 345 K HA -0.106 4.214 4.320 0.001 0.000 0.208 345 K C 2.048 178.682 176.600 0.056 0.000 1.048 345 K CA 0.859 57.154 56.287 0.013 0.000 0.929 345 K CB 0.017 32.530 32.500 0.022 0.000 0.713 345 K HN -0.103 nan 8.250 nan 0.000 0.439 346 V N 0.602 120.565 119.914 0.081 0.000 2.358 346 V HA -0.226 3.894 4.120 0.001 0.000 0.246 346 V C 2.410 178.584 176.094 0.134 0.000 1.047 346 V CA 2.043 64.441 62.300 0.163 0.000 1.035 346 V CB -0.387 31.560 31.823 0.206 0.000 0.658 346 V HN 0.477 nan 8.190 nan 0.000 0.452 347 S N -0.174 115.561 115.700 0.058 0.000 2.353 347 S HA -0.221 4.249 4.470 0.001 0.000 0.222 347 S C 2.234 176.683 174.600 -0.253 0.000 1.035 347 S CA 2.244 60.409 58.200 -0.058 0.000 1.025 347 S CB -0.338 62.848 63.200 -0.023 0.000 0.902 347 S HN 0.615 nan 8.310 nan 0.000 0.440 348 S N 0.071 115.670 115.700 -0.169 0.000 2.382 348 S HA -0.108 4.363 4.470 0.001 0.000 0.228 348 S C 1.208 175.663 174.600 -0.241 0.000 1.027 348 S CA 1.323 59.393 58.200 -0.216 0.000 0.991 348 S CB -0.541 62.587 63.200 -0.120 0.000 0.823 348 S HN 0.825 nan 8.310 nan 0.000 0.469 349 W N 2.013 123.145 121.300 -0.280 0.000 2.378 349 W HA -0.049 4.612 4.660 0.001 0.000 0.313 349 W C 1.802 178.072 176.519 -0.415 0.000 1.197 349 W CA 0.694 57.860 57.345 -0.298 0.000 1.304 349 W CB -0.670 28.635 29.460 -0.258 0.000 1.148 349 W HN 0.223 nan 8.180 nan 0.000 0.494 350 I N 1.407 121.395 120.570 -0.970 0.000 2.361 350 I HA -0.280 3.890 4.170 0.001 0.000 0.251 350 I C 2.388 177.829 176.117 -1.126 0.000 1.133 350 I CA 1.904 62.335 61.300 -1.449 0.000 1.413 350 I CB -0.747 36.469 38.000 -1.307 0.000 1.073 350 I HN 0.193 nan 8.210 nan 0.000 0.424 351 Q N -0.304 118.855 119.800 -1.067 0.000 2.079 351 Q HA -0.242 4.099 4.340 0.001 0.000 0.200 351 Q C 2.037 177.620 176.000 -0.694 0.000 0.974 351 Q CA 1.863 56.984 55.803 -1.137 0.000 0.840 351 Q CB -0.342 27.733 28.738 -1.105 0.000 0.898 351 Q HN 0.600 nan 8.270 nan 0.000 0.430 352 N N 0.967 119.308 118.700 -0.598 0.000 2.216 352 N HA -0.189 4.551 4.740 0.001 0.000 0.183 352 N C 1.569 176.812 175.510 -0.445 0.000 1.017 352 N CA 1.286 54.083 53.050 -0.422 0.000 0.861 352 N CB 0.019 38.310 38.487 -0.325 0.000 0.986 352 N HN -0.070 nan 8.380 nan 0.000 0.428 353 K N -0.228 119.756 120.400 -0.694 0.000 2.103 353 K HA -0.049 4.271 4.320 0.001 0.000 0.207 353 K C 1.386 177.744 176.600 -0.405 0.000 1.048 353 K CA 1.953 57.855 56.287 -0.642 0.000 0.930 353 K CB -0.685 31.092 32.500 -1.204 0.000 0.716 353 K HN 0.422 nan 8.250 nan 0.000 0.444 354 T N -2.841 111.470 114.554 -0.405 0.000 3.105 354 T HA 0.190 4.540 4.350 0.001 0.000 0.253 354 T C -0.195 174.429 174.700 -0.127 0.000 1.047 354 T CA 0.003 61.980 62.100 -0.205 0.000 0.944 354 T CB -0.811 67.984 68.868 -0.121 0.000 1.016 354 T HN 0.433 nan 8.240 nan 0.000 0.544 355 N N 1.424 120.017 118.700 -0.179 0.000 2.721 355 N HA -0.196 4.545 4.740 0.001 0.000 0.249 355 N C 0.874 176.349 175.510 -0.059 0.000 1.072 355 N CA 0.087 53.066 53.050 -0.118 0.000 0.710 355 N CB -1.583 36.860 38.487 -0.074 0.000 0.993 355 N HN 0.828 nan 8.380 nan 0.000 0.547 356 G N -0.258 108.494 108.800 -0.081 0.000 2.168 356 G HA2 -0.360 3.600 3.960 0.001 0.000 0.257 356 G HA3 -0.360 3.600 3.960 0.001 0.000 0.257 356 G C -0.225 174.889 174.900 0.356 0.000 0.997 356 G CA 0.375 45.554 45.100 0.132 0.000 0.708 356 G HN 0.601 nan 8.290 nan 0.000 0.520 357 N N 0.282 119.137 118.700 0.258 0.000 2.558 357 N HA 0.479 5.219 4.740 0.001 0.000 0.242 357 N C -1.056 174.503 175.510 0.083 0.000 0.979 357 N CA -2.275 50.860 53.050 0.141 0.000 0.931 357 N CB 1.797 40.322 38.487 0.062 0.000 1.122 357 N HN -0.052 nan 8.380 nan 0.000 0.508 358 P HA -0.147 nan 4.420 nan 0.000 0.217 358 P C 1.161 178.206 177.300 -0.425 0.000 1.148 358 P CA 1.295 64.159 63.100 -0.394 0.000 0.828 358 P CB 0.228 31.549 31.700 -0.631 0.000 0.783 359 S N -1.535 114.027 115.700 -0.231 0.000 2.547 359 S HA -0.052 4.419 4.470 0.001 0.000 0.235 359 S C 1.528 176.103 174.600 -0.041 0.000 0.980 359 S CA 0.804 58.949 58.200 -0.092 0.000 0.941 359 S CB -0.715 62.584 63.200 0.166 0.000 0.763 359 S HN 0.034 nan 8.310 nan 0.000 0.532 360 K N 0.824 121.194 120.400 -0.050 0.000 2.404 360 K HA 0.393 4.714 4.320 0.001 0.000 0.194 360 K C 0.330 176.915 176.600 -0.025 0.000 1.023 360 K CA -0.196 56.081 56.287 -0.016 0.000 1.094 360 K CB -0.159 32.336 32.500 -0.007 0.000 0.841 360 K HN 0.506 nan 8.250 nan 0.000 0.523 361 I N 2.262 122.791 120.570 -0.067 0.000 2.588 361 I HA -0.046 4.125 4.170 0.001 0.000 0.283 361 I C 0.596 176.679 176.117 -0.056 0.000 1.119 361 I CA -0.410 60.893 61.300 0.006 0.000 1.419 361 I CB 0.751 38.753 38.000 0.002 0.000 1.394 361 I HN -0.219 nan 8.210 nan 0.000 0.562 362 V N 2.207 122.077 119.914 -0.074 0.000 3.103 362 V HA 0.432 4.553 4.120 0.001 0.000 0.318 362 V C -0.233 175.422 176.094 -0.733 0.000 1.114 362 V CA -0.934 61.154 62.300 -0.353 0.000 1.020 362 V CB 1.856 33.472 31.823 -0.345 0.000 1.085 362 V HN 0.770 nan 8.190 nan 0.000 0.446 363 D N 0.906 120.778 120.400 -0.881 0.000 2.688 363 D HA 0.491 5.131 4.640 0.001 0.000 0.228 363 D C 0.359 175.863 176.300 -1.327 0.000 1.116 363 D CA 0.681 53.711 54.000 -1.617 0.000 1.023 363 D CB -0.109 40.152 40.800 -0.898 0.000 1.100 363 D HN 1.614 nan 8.370 nan 0.000 0.487 364 G N 0.280 108.343 108.800 -1.228 0.000 2.521 364 G HA2 0.203 4.164 3.960 0.001 0.000 0.589 364 G HA3 0.203 4.164 3.960 0.001 0.000 0.589 364 G C -1.821 172.872 174.900 -0.346 0.000 1.501 364 G CA -1.231 43.718 45.100 -0.251 0.000 0.887 364 G HN 0.194 nan 8.290 nan 0.000 0.654 365 Y N 0.927 121.429 120.300 0.335 0.000 2.534 365 Y HA 0.583 5.134 4.550 0.001 0.000 0.345 365 Y C 0.339 176.355 175.900 0.193 0.000 1.031 365 Y CA -1.153 57.099 58.100 0.252 0.000 1.022 365 Y CB 1.887 40.544 38.460 0.329 0.000 1.292 365 Y HN 0.554 nan 8.280 nan 0.000 0.459 366 Q N 1.744 121.710 119.800 0.277 0.000 2.443 366 Q HA 0.219 4.560 4.340 0.001 0.000 0.232 366 Q C 1.085 177.166 176.000 0.134 0.000 1.026 366 Q CA -0.035 55.876 55.803 0.181 0.000 0.924 366 Q CB 1.002 29.819 28.738 0.132 0.000 1.256 366 Q HN 0.854 nan 8.270 nan 0.000 0.519 367 L N 1.151 122.432 121.223 0.096 0.000 2.265 367 L HA -0.229 4.111 4.340 0.001 0.000 0.215 367 L C 1.493 178.300 176.870 -0.106 0.000 1.117 367 L CA 1.097 55.947 54.840 0.017 0.000 0.782 367 L CB -0.497 41.614 42.059 0.086 0.000 0.914 367 L HN 0.607 nan 8.230 nan 0.000 0.441 368 N N -0.137 118.532 118.700 -0.051 0.000 2.398 368 N HA 0.021 4.762 4.740 0.001 0.000 0.188 368 N C 1.222 176.677 175.510 -0.090 0.000 1.122 368 N CA 0.884 53.887 53.050 -0.079 0.000 0.866 368 N CB 0.508 38.988 38.487 -0.011 0.000 0.970 368 N HN 0.228 nan 8.380 nan 0.000 0.462 369 G N -1.253 107.494 108.800 -0.089 0.000 2.218 369 G HA2 -0.245 3.716 3.960 0.001 0.000 0.216 369 G HA3 -0.245 3.716 3.960 0.001 0.000 0.216 369 G C -0.152 174.966 174.900 0.363 0.000 0.994 369 G CA 0.075 45.239 45.100 0.105 0.000 0.637 369 G HN 0.392 nan 8.290 nan 0.000 0.505 370 S N 1.377 117.223 115.700 0.243 0.000 2.562 370 S HA 0.403 4.874 4.470 0.001 0.000 0.281 370 S C 0.551 175.321 174.600 0.283 0.000 1.333 370 S CA -0.328 58.010 58.200 0.229 0.000 1.052 370 S CB 0.600 63.882 63.200 0.137 0.000 0.884 370 S HN 0.457 nan 8.310 nan 0.000 0.506 371 N N 1.512 120.339 118.700 0.213 0.000 2.454 371 N HA 0.212 4.952 4.740 0.001 0.000 0.254 371 N C 0.700 176.179 175.510 -0.052 0.000 1.228 371 N CA 0.177 53.257 53.050 0.050 0.000 0.900 371 N CB 0.336 38.829 38.487 0.010 0.000 1.089 371 N HN 0.519 nan 8.380 nan 0.000 0.449 372 I N -0.545 119.906 120.570 -0.199 0.000 3.739 372 I HA 0.209 4.380 4.170 0.001 0.000 0.272 372 I C 1.422 177.409 176.117 -0.217 0.000 1.167 372 I CA 0.044 61.183 61.300 -0.269 0.000 1.386 372 I CB -0.130 37.605 38.000 -0.442 0.000 1.490 372 I HN 0.498 nan 8.210 nan 0.000 0.452 373 G N 0.332 108.976 108.800 -0.260 0.000 2.588 373 G HA2 0.256 4.217 3.960 0.001 0.000 0.278 373 G HA3 0.256 4.217 3.960 0.001 0.000 0.278 373 G C 0.641 175.478 174.900 -0.106 0.000 1.307 373 G CA 0.533 45.530 45.100 -0.171 0.000 1.016 373 G HN 0.344 nan 8.290 nan 0.000 0.503 374 S N -2.333 113.378 115.700 0.018 0.000 2.684 374 S HA 0.288 4.758 4.470 0.001 0.000 0.268 374 S C -0.029 174.674 174.600 0.172 0.000 1.075 374 S CA -0.014 58.234 58.200 0.080 0.000 1.184 374 S CB -0.124 63.144 63.200 0.115 0.000 1.129 374 S HN 1.090 nan 8.310 nan 0.000 0.630 375 Y N 0.147 120.424 120.300 -0.039 0.000 2.615 375 Y HA 0.864 5.414 4.550 0.001 0.000 0.341 375 Y C -3.431 172.472 175.900 0.005 0.000 1.089 375 Y CA -2.526 55.583 58.100 0.016 0.000 1.049 375 Y CB 1.192 39.695 38.460 0.072 0.000 1.296 375 Y HN -0.158 nan 8.280 nan 0.000 0.470 376 P HA 0.178 nan 4.420 nan 0.000 0.292 376 P C -0.876 176.366 177.300 -0.097 0.000 1.326 376 P CA 0.065 63.047 63.100 -0.196 0.000 0.787 376 P CB 1.716 33.383 31.700 -0.055 0.000 0.903 377 T N 1.713 116.135 114.554 -0.220 0.000 2.876 377 T HA 0.493 4.843 4.350 0.001 0.000 0.289 377 T C 1.398 176.236 174.700 0.231 0.000 1.014 377 T CA -0.214 61.939 62.100 0.088 0.000 0.986 377 T CB 1.082 69.906 68.868 -0.073 0.000 1.021 377 T HN 0.237 nan 8.240 nan 0.000 0.458 378 A N 3.482 126.541 122.820 0.399 0.000 1.986 378 A HA -0.035 4.285 4.320 0.001 0.000 0.220 378 A C 2.332 179.964 177.584 0.080 0.000 1.171 378 A CA 2.063 54.292 52.037 0.319 0.000 0.640 378 A CB -1.018 18.152 19.000 0.283 0.000 0.811 378 A HN 0.790 nan 8.150 nan 0.000 0.451 379 V N -1.738 118.155 119.914 -0.036 0.000 2.720 379 V HA -0.168 3.953 4.120 0.001 0.000 0.256 379 V C 1.988 177.832 176.094 -0.418 0.000 1.082 379 V CA 2.010 64.121 62.300 -0.314 0.000 1.101 379 V CB -0.623 30.835 31.823 -0.608 0.000 0.693 379 V HN 0.562 nan 8.190 nan 0.000 0.479 380 F N -1.397 118.391 119.950 -0.270 0.000 2.315 380 F HA 0.087 4.615 4.527 0.001 0.000 0.284 380 F C 2.166 177.878 175.800 -0.148 0.000 1.049 380 F CA 1.578 59.416 58.000 -0.270 0.000 1.323 380 F CB -0.429 38.463 39.000 -0.179 0.000 1.113 380 F HN -0.080 nan 8.300 nan 0.000 0.544 381 V N -0.473 119.499 119.914 0.096 0.000 2.233 381 V HA -0.296 3.824 4.120 0.001 0.000 0.247 381 V C 2.305 178.428 176.094 0.049 0.000 1.050 381 V CA 2.322 64.614 62.300 -0.013 0.000 1.010 381 V CB -1.065 30.397 31.823 -0.602 0.000 0.637 381 V HN 0.275 nan 8.190 nan 0.000 0.444 382 S N 0.150 115.877 115.700 0.047 0.000 2.370 382 S HA -0.135 4.336 4.470 0.001 0.000 0.226 382 S C -0.038 174.604 174.600 0.070 0.000 1.033 382 S CA 2.113 60.355 58.200 0.070 0.000 1.011 382 S CB -1.355 61.880 63.200 0.060 0.000 0.852 382 S HN 0.498 nan 8.310 nan 0.000 0.457 383 P HA 0.009 nan 4.420 nan 0.000 0.219 383 P C 0.972 178.323 177.300 0.085 0.000 1.150 383 P CA 0.870 63.970 63.100 -0.000 0.000 0.814 383 P CB -0.103 31.533 31.700 -0.107 0.000 0.787 384 F N -1.052 118.988 119.950 0.150 0.000 2.234 384 F HA -0.157 4.371 4.527 0.001 0.000 0.299 384 F C 2.038 178.001 175.800 0.273 0.000 1.087 384 F CA 0.335 58.466 58.000 0.217 0.000 1.340 384 F CB -0.324 38.833 39.000 0.260 0.000 1.031 384 F HN -0.150 nan 8.300 nan 0.000 0.500 385 I N 0.104 120.884 120.570 0.351 0.000 2.286 385 I HA -0.201 3.970 4.170 0.001 0.000 0.245 385 I C 2.717 178.976 176.117 0.237 0.000 1.104 385 I CA 1.294 62.729 61.300 0.224 0.000 1.397 385 I CB -1.887 36.132 38.000 0.031 0.000 1.072 385 I HN 0.016 nan 8.210 nan 0.000 0.417 386 A N 1.083 124.018 122.820 0.192 0.000 1.933 386 A HA -0.103 4.217 4.320 0.001 0.000 0.218 386 A C 2.475 180.159 177.584 0.166 0.000 1.175 386 A CA 1.829 53.969 52.037 0.171 0.000 0.628 386 A CB -0.737 18.330 19.000 0.112 0.000 0.814 386 A HN 0.405 nan 8.150 nan 0.000 0.444 387 A N -0.619 122.308 122.820 0.178 0.000 2.172 387 A HA 0.047 4.367 4.320 0.001 0.000 0.216 387 A C 2.048 179.724 177.584 0.153 0.000 1.154 387 A CA 1.631 53.758 52.037 0.151 0.000 0.701 387 A CB -0.469 18.645 19.000 0.190 0.000 0.789 387 A HN 0.437 nan 8.150 nan 0.000 0.465 388 S N -0.227 115.605 115.700 0.220 0.000 2.575 388 S HA 0.089 4.560 4.470 0.001 0.000 0.215 388 S C 1.411 176.111 174.600 0.166 0.000 0.966 388 S CA 0.423 58.748 58.200 0.208 0.000 0.911 388 S CB -0.356 63.089 63.200 0.409 0.000 0.780 388 S HN 0.806 nan 8.310 nan 0.000 0.514 389 I N 0.813 121.478 120.570 0.158 0.000 3.444 389 I HA 0.035 4.206 4.170 0.001 0.000 0.287 389 I C 1.831 178.024 176.117 0.126 0.000 1.302 389 I CA 0.965 62.350 61.300 0.141 0.000 1.368 389 I CB -0.744 37.352 38.000 0.159 0.000 1.048 389 I HN 0.188 nan 8.210 nan 0.000 0.487 390 T N -2.592 112.013 114.554 0.085 0.000 3.107 390 T HA 0.227 4.578 4.350 0.001 0.000 0.249 390 T C 0.631 175.332 174.700 0.002 0.000 1.096 390 T CA -0.194 61.933 62.100 0.045 0.000 1.012 390 T CB -0.159 68.601 68.868 -0.180 0.000 0.977 390 T HN 0.254 nan 8.240 nan 0.000 0.527 391 S N 1.481 117.190 115.700 0.014 0.000 2.605 391 S HA 0.417 4.887 4.470 0.001 0.000 0.308 391 S C 1.107 175.723 174.600 0.027 0.000 1.113 391 S CA -0.512 57.690 58.200 0.003 0.000 1.049 391 S CB 1.827 65.012 63.200 -0.025 0.000 1.001 391 S HN 0.514 nan 8.310 nan 0.000 0.480 392 S N 2.946 118.662 115.700 0.026 0.000 2.419 392 S HA -0.209 4.262 4.470 0.001 0.000 0.235 392 S C 1.389 176.005 174.600 0.025 0.000 1.019 392 S CA 1.606 59.824 58.200 0.029 0.000 0.982 392 S CB -0.638 62.576 63.200 0.023 0.000 0.789 392 S HN 0.811 nan 8.310 nan 0.000 0.490 393 N N 2.024 120.732 118.700 0.013 0.000 2.571 393 N HA -0.012 4.729 4.740 0.001 0.000 0.189 393 N C 0.589 176.110 175.510 0.018 0.000 1.154 393 N CA 0.605 53.659 53.050 0.006 0.000 0.907 393 N CB -0.695 37.784 38.487 -0.013 0.000 0.977 393 N HN 0.361 nan 8.380 nan 0.000 0.449 394 N N -0.012 118.714 118.700 0.043 0.000 2.268 394 N HA -0.013 4.727 4.740 0.001 0.000 0.204 394 N C 1.035 176.633 175.510 0.147 0.000 1.124 394 N CA 0.025 53.133 53.050 0.097 0.000 0.838 394 N CB 0.303 38.863 38.487 0.122 0.000 0.994 394 N HN 0.317 nan 8.380 nan 0.000 0.489 395 Q N 1.769 121.622 119.800 0.089 0.000 2.077 395 Q HA -0.151 4.190 4.340 0.001 0.000 0.206 395 Q C 1.935 177.975 176.000 0.066 0.000 0.989 395 Q CA 1.748 57.593 55.803 0.071 0.000 0.853 395 Q CB -0.022 28.741 28.738 0.042 0.000 0.907 395 Q HN 0.277 nan 8.270 nan 0.000 0.418 396 K N -0.870 119.572 120.400 0.070 0.000 2.057 396 K HA -0.187 4.134 4.320 0.001 0.000 0.207 396 K C 2.017 178.675 176.600 0.097 0.000 1.049 396 K CA 1.441 57.758 56.287 0.051 0.000 0.931 396 K CB -0.633 31.901 32.500 0.057 0.000 0.714 396 K HN 0.541 nan 8.250 nan 0.000 0.440 397 W N 1.228 122.508 121.300 -0.034 0.000 2.358 397 W HA -0.193 4.468 4.660 0.001 0.000 0.303 397 W C 1.416 177.941 176.519 0.009 0.000 1.208 397 W CA 1.170 58.499 57.345 -0.026 0.000 1.274 397 W CB -0.239 29.198 29.460 -0.039 0.000 1.138 397 W HN -0.089 nan 8.180 nan 0.000 0.515 398 V N 2.195 122.156 119.914 0.078 0.000 2.343 398 V HA -0.361 3.759 4.120 0.001 0.000 0.247 398 V C 2.216 178.305 176.094 -0.009 0.000 1.051 398 V CA 2.315 64.615 62.300 0.000 0.000 1.036 398 V CB -1.035 30.846 31.823 0.096 0.000 0.654 398 V HN 0.159 nan 8.190 nan 0.000 0.451 399 N N -0.064 118.606 118.700 -0.050 0.000 2.120 399 N HA -0.141 4.600 4.740 0.001 0.000 0.188 399 N C 2.138 177.560 175.510 -0.148 0.000 1.024 399 N CA 1.767 54.698 53.050 -0.198 0.000 0.852 399 N CB -0.574 37.580 38.487 -0.555 0.000 1.003 399 N HN 0.454 nan 8.380 nan 0.000 0.424 400 S N -0.081 115.529 115.700 -0.150 0.000 2.383 400 S HA -0.037 4.433 4.470 0.001 0.000 0.227 400 S C 2.016 176.554 174.600 -0.103 0.000 1.026 400 S CA 1.483 59.617 58.200 -0.110 0.000 0.981 400 S CB -0.647 62.473 63.200 -0.133 0.000 0.818 400 S HN 0.430 nan 8.310 nan 0.000 0.472 401 G N 0.694 109.341 108.800 -0.254 0.000 2.418 401 G HA2 -0.217 3.743 3.960 0.001 0.000 0.217 401 G HA3 -0.217 3.743 3.960 0.001 0.000 0.217 401 G C 1.376 176.325 174.900 0.082 0.000 1.158 401 G CA 0.775 45.739 45.100 -0.226 0.000 0.771 401 G HN 0.680 nan 8.290 nan 0.000 0.545 402 W N 1.656 122.946 121.300 -0.017 0.000 2.355 402 W HA -0.110 4.551 4.660 0.001 0.000 0.309 402 W C 1.592 178.174 176.519 0.106 0.000 1.206 402 W CA 1.513 58.900 57.345 0.070 0.000 1.284 402 W CB -0.056 29.487 29.460 0.139 0.000 1.145 402 W HN 0.207 nan 8.180 nan 0.000 0.502 403 D N -0.479 119.989 120.400 0.113 0.000 2.149 403 D HA -0.219 4.422 4.640 0.001 0.000 0.198 403 D C 1.573 177.831 176.300 -0.069 0.000 0.990 403 D CA 1.670 55.673 54.000 0.005 0.000 0.839 403 D CB -1.153 39.725 40.800 0.130 0.000 0.948 403 D HN 0.358 nan 8.370 nan 0.000 0.460 404 W N 1.417 122.628 121.300 -0.148 0.000 2.409 404 W HA -0.116 4.544 4.660 0.001 0.000 0.299 404 W C 2.435 178.859 176.519 -0.160 0.000 1.203 404 W CA 1.634 58.901 57.345 -0.130 0.000 1.298 404 W CB -0.082 29.305 29.460 -0.121 0.000 1.127 404 W HN -0.050 nan 8.180 nan 0.000 0.528 405 M N 0.880 120.515 119.600 0.057 0.000 2.394 405 M HA 0.044 4.525 4.480 0.001 0.000 0.266 405 M C 1.897 177.946 176.300 -0.418 0.000 1.098 405 M CA 1.666 56.906 55.300 -0.101 0.000 1.149 405 M CB -0.830 31.803 32.600 0.055 0.000 1.369 405 M HN -0.036 nan 8.290 nan 0.000 0.450 406 K N 0.718 120.707 120.400 -0.685 0.000 2.127 406 K HA -0.160 4.160 4.320 0.001 0.000 0.208 406 K C 0.443 176.857 176.600 -0.311 0.000 1.047 406 K CA 2.007 57.812 56.287 -0.802 0.000 0.927 406 K CB -0.707 31.131 32.500 -1.103 0.000 0.716 406 K HN 0.467 nan 8.250 nan 0.000 0.450 407 N N 0.587 119.162 118.700 -0.209 0.000 2.238 407 N HA 0.051 4.791 4.740 0.001 0.000 0.235 407 N C -0.956 174.543 175.510 -0.019 0.000 1.209 407 N CA -0.207 52.829 53.050 -0.023 0.000 0.879 407 N CB 0.987 39.428 38.487 -0.076 0.000 1.136 407 N HN 0.086 nan 8.380 nan 0.000 0.517 408 K N 1.726 122.077 120.400 -0.080 0.000 2.338 408 K HA 0.193 4.513 4.320 0.001 0.000 0.290 408 K C -0.321 176.355 176.600 0.126 0.000 1.069 408 K CA 0.124 56.318 56.287 -0.155 0.000 0.941 408 K CB 0.243 32.440 32.500 -0.505 0.000 1.023 408 K HN -0.020 nan 8.250 nan 0.000 0.477 409 R N 3.422 123.964 120.500 0.070 0.000 2.494 409 R HA 0.249 4.589 4.340 0.001 0.000 0.305 409 R C 0.050 176.428 176.300 0.129 0.000 0.959 409 R CA -0.511 55.660 56.100 0.119 0.000 0.864 409 R CB 1.720 32.034 30.300 0.024 0.000 1.159 409 R HN 0.851 nan 8.270 nan 0.000 0.446 410 E N 1.625 121.946 120.200 0.202 0.000 3.777 410 E HA 0.065 4.415 4.350 0.001 0.000 0.247 410 E C -0.595 176.164 176.600 0.265 0.000 1.256 410 E CA 0.100 56.631 56.400 0.218 0.000 1.786 410 E CB 0.643 30.498 29.700 0.258 0.000 1.722 410 E HN 0.459 nan 8.360 nan 0.000 0.810 411 R N -1.335 119.352 120.500 0.311 0.000 2.756 411 R HA 0.169 4.509 4.340 0.001 0.000 0.273 411 R C 0.364 176.799 176.300 0.226 0.000 1.030 411 R CA -0.189 56.128 56.100 0.362 0.000 0.887 411 R CB -0.966 29.527 30.300 0.322 0.000 1.274 411 R HN 0.084 nan 8.270 nan 0.000 0.461 412 Y N 0.656 120.979 120.300 0.039 0.000 2.040 412 Y HA -0.192 4.359 4.550 0.001 0.000 0.275 412 Y C 1.496 177.429 175.900 0.055 0.000 1.171 412 Y CA 2.148 60.052 58.100 -0.327 0.000 1.123 412 Y CB -0.480 37.955 38.460 -0.043 0.000 0.963 412 Y HN 0.513 nan 8.280 nan 0.000 0.493 413 F N 0.611 120.261 119.950 -0.500 0.000 2.051 413 F HA -0.174 4.354 4.527 0.001 0.000 0.296 413 F C 2.661 178.329 175.800 -0.221 0.000 1.122 413 F CA 2.158 59.861 58.000 -0.495 0.000 1.201 413 F CB -1.068 37.911 39.000 -0.035 0.000 0.978 413 F HN 0.109 nan 8.300 nan 0.000 0.472 414 S N -0.107 115.589 115.700 -0.007 0.000 2.383 414 S HA -0.164 4.307 4.470 0.001 0.000 0.227 414 S C 1.560 176.166 174.600 0.010 0.000 1.026 414 S CA 1.353 59.535 58.200 -0.030 0.000 0.981 414 S CB -0.392 62.904 63.200 0.161 0.000 0.818 414 S HN 0.391 nan 8.310 nan 0.000 0.472 415 D N 1.245 121.701 120.400 0.093 0.000 2.117 415 D HA -0.022 4.618 4.640 0.001 0.000 0.197 415 D C 2.187 178.607 176.300 0.201 0.000 0.987 415 D CA 1.063 55.231 54.000 0.280 0.000 0.829 415 D CB -0.441 40.581 40.800 0.369 0.000 0.961 415 D HN 0.222 nan 8.370 nan 0.000 0.460 416 S N -0.502 115.200 115.700 0.003 0.000 2.356 416 S HA -0.169 4.301 4.470 0.001 0.000 0.223 416 S C 1.855 176.249 174.600 -0.343 0.000 1.032 416 S CA 0.630 58.768 58.200 -0.104 0.000 1.005 416 S CB -0.408 62.796 63.200 0.007 0.000 0.867 416 S HN 0.299 nan 8.310 nan 0.000 0.449 417 Y N 2.544 122.499 120.300 -0.574 0.000 2.373 417 Y HA -0.034 4.516 4.550 0.001 0.000 0.293 417 Y C 2.281 177.968 175.900 -0.355 0.000 1.129 417 Y CA 0.889 58.621 58.100 -0.613 0.000 1.226 417 Y CB -0.371 37.641 38.460 -0.747 0.000 1.000 417 Y HN 0.203 nan 8.280 nan 0.000 0.549 418 N N 0.136 118.729 118.700 -0.179 0.000 2.142 418 N HA -0.173 4.568 4.740 0.001 0.000 0.186 418 N C 1.807 177.136 175.510 -0.302 0.000 1.023 418 N CA 1.313 54.249 53.050 -0.191 0.000 0.852 418 N CB -0.542 37.861 38.487 -0.140 0.000 0.998 418 N HN 0.359 nan 8.380 nan 0.000 0.424 419 L N 0.660 121.718 121.223 -0.275 0.000 2.046 419 L HA 0.019 4.360 4.340 0.001 0.000 0.208 419 L C 2.004 178.745 176.870 -0.214 0.000 1.077 419 L CA 1.410 56.105 54.840 -0.242 0.000 0.747 419 L CB -0.824 41.138 42.059 -0.163 0.000 0.896 419 L HN 0.267 nan 8.230 nan 0.000 0.432 420 L N -1.226 119.815 121.223 -0.304 0.000 2.046 420 L HA -0.230 4.111 4.340 0.001 0.000 0.208 420 L C 2.311 179.152 176.870 -0.048 0.000 1.077 420 L CA 1.826 56.535 54.840 -0.219 0.000 0.747 420 L CB -0.985 40.825 42.059 -0.415 0.000 0.896 420 L HN 0.284 nan 8.230 nan 0.000 0.432 421 T N -0.548 113.886 114.554 -0.200 0.000 2.777 421 T HA -0.176 4.175 4.350 0.001 0.000 0.266 421 T C 1.920 176.685 174.700 0.108 0.000 1.040 421 T CA 1.349 63.415 62.100 -0.057 0.000 1.141 421 T CB -0.153 68.654 68.868 -0.101 0.000 0.868 421 T HN 0.217 nan 8.240 nan 0.000 0.444 422 M N 0.401 120.036 119.600 0.058 0.000 2.117 422 M HA 0.007 4.488 4.480 0.001 0.000 0.262 422 M C 2.185 178.612 176.300 0.211 0.000 1.065 422 M CA 1.441 56.857 55.300 0.193 0.000 1.114 422 M CB -0.561 32.080 32.600 0.068 0.000 1.361 422 M HN 0.173 nan 8.290 nan 0.000 0.408 423 L N -1.181 120.144 121.223 0.170 0.000 2.046 423 L HA -0.222 4.118 4.340 0.001 0.000 0.208 423 L C 2.415 179.458 176.870 0.289 0.000 1.077 423 L CA 1.304 56.273 54.840 0.216 0.000 0.747 423 L CB -0.508 41.639 42.059 0.147 0.000 0.896 423 L HN 0.204 nan 8.230 nan 0.000 0.432 424 F N 0.906 121.001 119.950 0.243 0.000 2.128 424 F HA -0.150 4.377 4.527 0.001 0.000 0.295 424 F C 2.281 178.149 175.800 0.113 0.000 1.100 424 F CA 1.520 59.636 58.000 0.193 0.000 1.260 424 F CB -0.092 38.918 39.000 0.017 0.000 1.009 424 F HN 0.017 nan 8.300 nan 0.000 0.476 425 I N -1.476 119.165 120.570 0.117 0.000 3.001 425 I HA -0.056 4.114 4.170 0.001 0.000 0.268 425 I C 1.474 177.517 176.117 -0.124 0.000 1.267 425 I CA 1.519 62.827 61.300 0.012 0.000 1.472 425 I CB -1.083 36.995 38.000 0.130 0.000 1.089 425 I HN 0.237 nan 8.210 nan 0.000 0.468 426 T N -2.607 111.877 114.554 -0.118 0.000 3.086 426 T HA 0.444 4.794 4.350 0.001 0.000 0.250 426 T C 1.503 176.096 174.700 -0.178 0.000 1.074 426 T CA 0.277 62.260 62.100 -0.195 0.000 0.988 426 T CB 0.292 69.078 68.868 -0.136 0.000 0.988 426 T HN 0.661 nan 8.240 nan 0.000 0.530 427 G N 2.100 110.784 108.800 -0.193 0.000 2.148 427 G HA2 -0.267 3.693 3.960 0.001 0.000 0.254 427 G HA3 -0.267 3.693 3.960 0.001 0.000 0.254 427 G C 0.689 175.526 174.900 -0.104 0.000 0.981 427 G CA 0.149 45.123 45.100 -0.211 0.000 0.670 427 G HN 0.527 nan 8.290 nan 0.000 0.528 428 N N -0.795 117.904 118.700 -0.000 0.000 2.322 428 N HA 0.075 4.815 4.740 0.001 0.000 0.194 428 N C -0.015 175.648 175.510 0.256 0.000 1.126 428 N CA 0.075 53.186 53.050 0.102 0.000 0.845 428 N CB 0.166 38.735 38.487 0.137 0.000 0.976 428 N HN 0.553 nan 8.380 nan 0.000 0.475 429 W N 3.850 125.170 121.300 0.033 0.000 2.298 429 W HA 0.235 4.895 4.660 0.001 0.000 0.327 429 W C -0.388 176.177 176.519 0.077 0.000 0.988 429 W CA -1.483 55.866 57.345 0.006 0.000 1.448 429 W CB -0.313 29.274 29.460 0.212 0.000 1.243 429 W HN -0.027 nan 8.180 nan 0.000 0.388 430 W N 4.365 125.934 121.300 0.449 0.000 2.141 430 W HA 0.442 5.103 4.660 0.001 0.000 0.354 430 W C -0.606 176.175 176.519 0.437 0.000 1.297 430 W CA -1.126 56.402 57.345 0.305 0.000 1.380 430 W CB 0.098 29.601 29.460 0.071 0.000 1.168 430 W HN 0.249 nan 8.180 nan 0.000 0.639 431 K N 3.319 124.089 120.400 0.617 0.000 2.234 431 K HA 0.266 4.586 4.320 0.001 0.000 0.277 431 K C -2.206 174.717 176.600 0.540 0.000 1.038 431 K CA -1.644 54.921 56.287 0.463 0.000 0.888 431 K CB 0.966 33.635 32.500 0.283 0.000 1.091 431 K HN 0.082 nan 8.250 nan 0.000 0.467 432 P HA 0.062 nan 4.420 nan 0.000 0.282 432 P C -0.864 176.789 177.300 0.589 0.000 1.262 432 P CA -0.466 62.953 63.100 0.533 0.000 0.773 432 P CB 1.164 33.005 31.700 0.234 0.000 0.879 433 V N 1.165 121.366 119.914 0.478 0.000 2.789 433 V HA 0.603 4.723 4.120 0.001 0.000 0.311 433 V C -2.734 173.384 176.094 0.039 0.000 1.073 433 V CA -3.057 59.359 62.300 0.193 0.000 0.921 433 V CB 1.475 33.364 31.823 0.111 0.000 1.009 433 V HN 0.247 nan 8.190 nan 0.000 0.426 434 P HA 0.000 nan 4.420 nan 0.000 0.216 434 P CA 0.000 62.853 63.100 -0.411 0.000 0.800 434 P CB 0.000 31.371 31.700 -0.549 0.000 0.726