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 3l4d_1_C DATA FIRST_RESID 29 DATA SEQUENCE GKLPPVVHGT TPFVGHIIQF GKDPLGFMLK AKKKYGGIFT MNICGNRITV DATA SEQUENCE VGDVHQHSKF FTPRNEILSP REVYSFMVPV FGEGVAYAAP YPRMREQLNF DATA SEQUENCE LAEELTVAKF QNFAPSIQHE VRKFMKANWN KDEGEINILD DCSAMIINTA DATA SEQUENCE CQCLFGEDLR KRLDARQFAQ LLAKMESCLI PAAVFLPWIL KLPLPQSYRC DATA SEQUENCE RDARAELQDI LSEIIIAREK EEAQKDTXTS DLLAGLLGAV YRDGTRMSQH DATA SEQUENCE EVCGMIVAAM FAGQHTSTIT TTWSLLHLMD PRNKRHLAKL HQEIDEFPAQ DATA SEQUENCE LNYDNVMEEM PFAEQCARES IRRDPPLVML MRKVLKPVQV GKYVVPEGDI DATA SEQUENCE IACSPLLSHQ DEEAFPNPRE WNPERNMKLV DGAFCGFGAG VHKCIGEKFG DATA SEQUENCE LLQVKTVLAT VLRDYDFELL GPLPEPNYHT MVVGPTASQC RVKYIKKK 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 29 G HA2 0.000 nan 3.960 nan 0.000 0.244 29 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 29 G C 0.000 174.908 174.900 0.014 0.000 0.946 29 G CA 0.000 45.102 45.100 0.004 0.000 0.502 30 K N 0.667 121.082 120.400 0.023 0.000 2.375 30 K HA 0.724 5.044 4.320 0.001 0.000 0.249 30 K C -0.124 176.566 176.600 0.151 0.000 0.942 30 K CA -0.935 55.386 56.287 0.057 0.000 0.806 30 K CB 1.534 34.050 32.500 0.026 0.000 1.227 30 K HN 0.447 nan 8.250 nan 0.000 0.430 31 L N 4.932 126.237 121.223 0.136 0.000 2.461 31 L HA 0.310 4.651 4.340 0.001 0.000 0.272 31 L C -1.760 175.254 176.870 0.240 0.000 1.197 31 L CA -1.834 53.088 54.840 0.137 0.000 0.836 31 L CB 0.379 42.466 42.059 0.047 0.000 1.105 31 L HN 0.587 nan 8.230 nan 0.000 0.477 32 P HA 0.053 nan 4.420 nan 0.000 0.271 32 P C -2.500 174.699 177.300 -0.168 0.000 1.238 32 P CA -0.882 61.965 63.100 -0.421 0.000 0.794 32 P CB -0.300 31.065 31.700 -0.558 0.000 0.959 33 P HA 0.041 nan 4.420 nan 0.000 0.276 33 P C -0.696 176.406 177.300 -0.329 0.000 1.253 33 P CA 0.183 63.205 63.100 -0.130 0.000 0.766 33 P CB 0.265 31.976 31.700 0.019 0.000 0.845 34 V N 5.647 125.364 119.914 -0.329 0.000 2.387 34 V HA -0.023 4.098 4.120 0.001 0.000 0.260 34 V C 1.264 176.994 176.094 -0.606 0.000 1.054 34 V CA -0.521 61.565 62.300 -0.357 0.000 0.967 34 V CB 1.004 32.684 31.823 -0.239 0.000 1.036 34 V HN 0.448 nan 8.190 nan 0.000 0.481 35 V N 7.567 127.090 119.914 -0.651 0.000 2.625 35 V HA -0.017 4.104 4.120 0.001 0.000 0.305 35 V C 0.929 176.921 176.094 -0.170 0.000 1.055 35 V CA 0.318 62.203 62.300 -0.691 0.000 1.209 35 V CB -0.161 31.384 31.823 -0.463 0.000 0.877 35 V HN 0.844 nan 8.190 nan 0.000 0.489 36 H N 4.880 124.005 119.070 0.092 0.000 2.408 36 H HA 0.350 4.906 4.556 0.001 0.000 0.352 36 H C 1.308 176.795 175.328 0.265 0.000 1.607 36 H CA 0.464 56.619 56.048 0.179 0.000 1.445 36 H CB 0.525 30.387 29.762 0.168 0.000 1.664 36 H HN 1.178 nan 8.280 nan 0.000 0.605 37 G N 0.819 109.817 108.800 0.330 0.000 2.204 37 G HA2 -0.268 3.692 3.960 0.001 0.000 0.244 37 G HA3 -0.268 3.692 3.960 0.001 0.000 0.244 37 G C 0.295 175.293 174.900 0.164 0.000 1.062 37 G CA 0.566 45.808 45.100 0.236 0.000 0.798 37 G HN 0.739 nan 8.290 nan 0.000 0.496 38 T N 0.859 115.436 114.554 0.039 0.000 2.856 38 T HA 0.624 4.975 4.350 0.001 0.000 0.292 38 T C 1.092 175.716 174.700 -0.127 0.000 0.980 38 T CA 0.778 62.746 62.100 -0.220 0.000 1.091 38 T CB 0.581 69.278 68.868 -0.286 0.000 0.936 38 T HN 0.982 nan 8.240 nan 0.000 0.503 39 T N 4.043 118.508 114.554 -0.148 0.000 2.909 39 T HA 0.425 4.775 4.350 0.001 0.000 0.286 39 T C -1.582 173.067 174.700 -0.084 0.000 1.002 39 T CA -1.716 60.344 62.100 -0.067 0.000 1.074 39 T CB 0.965 69.820 68.868 -0.021 0.000 0.984 39 T HN 0.320 nan 8.240 nan 0.000 0.495 40 P HA -0.168 nan 4.420 nan 0.000 0.221 40 P C 0.593 177.744 177.300 -0.249 0.000 1.160 40 P CA 1.668 64.717 63.100 -0.084 0.000 0.933 40 P CB -0.033 31.731 31.700 0.107 0.000 0.793 41 F N -3.698 116.232 119.950 -0.033 0.000 2.747 41 F HA 0.086 4.613 4.527 0.001 0.000 0.305 41 F C 2.129 177.913 175.800 -0.026 0.000 1.065 41 F CA -0.009 57.975 58.000 -0.026 0.000 1.230 41 F CB -0.416 38.577 39.000 -0.012 0.000 1.027 41 F HN -0.366 nan 8.300 nan 0.000 0.607 42 V N 0.102 120.095 119.914 0.132 0.000 2.261 42 V HA -0.013 4.107 4.120 0.001 0.000 0.246 42 V C 1.857 177.933 176.094 -0.031 0.000 1.047 42 V CA 1.954 64.292 62.300 0.062 0.000 1.015 42 V CB -1.097 30.753 31.823 0.046 0.000 0.642 42 V HN 0.589 nan 8.190 nan 0.000 0.446 43 G N -0.833 107.897 108.800 -0.116 0.000 2.669 43 G HA2 -0.255 3.705 3.960 0.001 0.000 0.250 43 G HA3 -0.255 3.705 3.960 0.001 0.000 0.250 43 G C 0.444 175.133 174.900 -0.351 0.000 1.247 43 G CA 0.287 45.220 45.100 -0.277 0.000 0.958 43 G HN 0.388 nan 8.290 nan 0.000 0.559 44 H N 0.227 119.241 119.070 -0.092 0.000 2.705 44 H HA 0.325 4.882 4.556 0.001 0.000 0.269 44 H C 2.512 177.756 175.328 -0.141 0.000 0.998 44 H CA 0.451 56.441 56.048 -0.097 0.000 1.193 44 H CB 0.390 30.067 29.762 -0.142 0.000 1.485 44 H HN 0.425 nan 8.280 nan 0.000 0.521 45 I N 0.954 121.496 120.570 -0.048 0.000 2.113 45 I HA -0.361 3.809 4.170 0.001 0.000 0.242 45 I C 1.823 177.966 176.117 0.044 0.000 1.057 45 I CA 1.355 62.644 61.300 -0.019 0.000 1.314 45 I CB -0.017 37.977 38.000 -0.010 0.000 1.022 45 I HN -0.009 nan 8.210 nan 0.000 0.408 46 I N 1.018 121.614 120.570 0.043 0.000 2.113 46 I HA -0.403 3.767 4.170 0.001 0.000 0.242 46 I C 2.596 178.746 176.117 0.055 0.000 1.057 46 I CA 1.957 63.289 61.300 0.054 0.000 1.314 46 I CB -0.900 37.133 38.000 0.055 0.000 1.022 46 I HN 0.394 nan 8.210 nan 0.000 0.408 47 Q N -1.534 118.309 119.800 0.072 0.000 2.123 47 Q HA -0.156 4.184 4.340 0.001 0.000 0.199 47 Q C 2.231 178.228 176.000 -0.005 0.000 0.966 47 Q CA 1.390 57.250 55.803 0.096 0.000 0.845 47 Q CB -0.353 28.527 28.738 0.237 0.000 0.907 47 Q HN 0.463 nan 8.270 nan 0.000 0.439 48 F N 1.031 120.776 119.950 -0.342 0.000 2.146 48 F HA -0.068 4.459 4.527 0.001 0.000 0.298 48 F C 2.042 177.710 175.800 -0.221 0.000 1.096 48 F CA 1.596 59.302 58.000 -0.491 0.000 1.275 48 F CB -0.539 38.100 39.000 -0.602 0.000 1.008 48 F HN 0.062 nan 8.300 nan 0.000 0.480 49 G N 0.465 109.266 108.800 0.003 0.000 2.459 49 G HA2 -0.311 3.649 3.960 0.001 0.000 0.217 49 G HA3 -0.311 3.649 3.960 0.001 0.000 0.217 49 G C 1.827 176.668 174.900 -0.098 0.000 1.183 49 G CA 0.917 46.002 45.100 -0.025 0.000 0.776 49 G HN 0.196 nan 8.290 nan 0.000 0.552 50 K N 0.720 121.092 120.400 -0.048 0.000 2.015 50 K HA -0.175 4.145 4.320 0.001 0.000 0.216 50 K C -0.147 176.390 176.600 -0.106 0.000 1.052 50 K CA 1.696 57.962 56.287 -0.035 0.000 0.937 50 K CB -0.321 32.182 32.500 0.005 0.000 0.719 50 K HN 0.325 nan 8.250 nan 0.000 0.446 51 D N -0.895 119.409 120.400 -0.160 0.000 2.479 51 D HA 0.197 4.837 4.640 0.001 0.000 0.246 51 D C -2.009 174.047 176.300 -0.407 0.000 1.336 51 D CA -1.923 51.922 54.000 -0.260 0.000 0.967 51 D CB 1.851 42.555 40.800 -0.160 0.000 1.275 51 D HN -0.058 nan 8.370 nan 0.000 0.577 52 P HA -0.116 nan 4.420 nan 0.000 0.215 52 P C 1.640 178.624 177.300 -0.526 0.000 1.157 52 P CA 0.326 62.789 63.100 -1.062 0.000 0.859 52 P CB 0.592 31.624 31.700 -1.114 0.000 0.786 53 L N 0.540 121.458 121.223 -0.509 0.000 2.027 53 L HA 0.076 4.417 4.340 0.001 0.000 0.206 53 L C 2.552 179.334 176.870 -0.146 0.000 1.074 53 L CA 2.547 57.213 54.840 -0.291 0.000 0.745 53 L CB -1.869 39.966 42.059 -0.373 0.000 0.898 53 L HN -0.009 nan 8.230 nan 0.000 0.433 54 G N -0.903 107.800 108.800 -0.161 0.000 2.469 54 G HA2 -0.384 3.576 3.960 0.001 0.000 0.219 54 G HA3 -0.384 3.576 3.960 0.001 0.000 0.219 54 G C 1.622 176.493 174.900 -0.048 0.000 1.150 54 G CA 1.035 46.083 45.100 -0.086 0.000 0.763 54 G HN 0.528 nan 8.290 nan 0.000 0.561 55 F N 0.962 120.811 119.950 -0.168 0.000 2.095 55 F HA -0.045 4.482 4.527 0.001 0.000 0.298 55 F C 2.726 178.469 175.800 -0.095 0.000 1.104 55 F CA 1.906 59.840 58.000 -0.110 0.000 1.232 55 F CB -0.059 38.889 39.000 -0.088 0.000 0.987 55 F HN 0.100 nan 8.300 nan 0.000 0.475 56 M N -0.610 119.056 119.600 0.110 0.000 2.123 56 M HA -0.142 4.338 4.480 0.001 0.000 0.263 56 M C 2.066 178.285 176.300 -0.135 0.000 1.069 56 M CA 0.983 56.319 55.300 0.059 0.000 1.133 56 M CB -0.564 32.248 32.600 0.353 0.000 1.356 56 M HN 0.185 nan 8.290 nan 0.000 0.415 57 L N 0.925 122.105 121.223 -0.072 0.000 1.997 57 L HA -0.269 4.071 4.340 0.001 0.000 0.216 57 L C 2.285 179.059 176.870 -0.159 0.000 1.074 57 L CA 2.012 56.804 54.840 -0.080 0.000 0.763 57 L CB -0.934 41.092 42.059 -0.055 0.000 0.890 57 L HN 0.241 nan 8.230 nan 0.000 0.434 58 K N -1.275 118.995 120.400 -0.217 0.000 2.026 58 K HA -0.150 4.171 4.320 0.001 0.000 0.208 58 K C 2.100 178.480 176.600 -0.367 0.000 1.048 58 K CA 1.410 57.541 56.287 -0.260 0.000 0.929 58 K CB -0.416 31.929 32.500 -0.259 0.000 0.713 58 K HN 0.362 nan 8.250 nan 0.000 0.439 59 A N 2.114 124.592 122.820 -0.570 0.000 1.851 59 A HA -0.254 4.067 4.320 0.001 0.000 0.216 59 A C 2.118 179.366 177.584 -0.561 0.000 1.195 59 A CA 1.915 53.521 52.037 -0.718 0.000 0.622 59 A CB -0.592 17.523 19.000 -1.476 0.000 0.831 59 A HN 0.266 nan 8.150 nan 0.000 0.444 60 K N -0.100 119.983 120.400 -0.528 0.000 2.059 60 K HA -0.281 4.039 4.320 0.001 0.000 0.212 60 K C 2.214 178.760 176.600 -0.091 0.000 1.050 60 K CA 2.206 58.410 56.287 -0.138 0.000 0.927 60 K CB -0.241 32.282 32.500 0.037 0.000 0.714 60 K HN 0.474 nan 8.250 nan 0.000 0.447 61 K N 0.862 121.181 120.400 -0.135 0.000 2.009 61 K HA -0.226 4.095 4.320 0.001 0.000 0.210 61 K C 2.240 178.745 176.600 -0.158 0.000 1.049 61 K CA 1.904 58.122 56.287 -0.114 0.000 0.929 61 K CB -0.099 32.329 32.500 -0.121 0.000 0.714 61 K HN 0.081 nan 8.250 nan 0.000 0.440 62 K N -0.765 119.470 120.400 -0.275 0.000 2.001 62 K HA -0.138 4.182 4.320 0.001 0.000 0.208 62 K C 1.819 178.163 176.600 -0.427 0.000 1.048 62 K CA 1.604 57.630 56.287 -0.434 0.000 0.932 62 K CB -0.024 32.049 32.500 -0.712 0.000 0.715 62 K HN 0.200 nan 8.250 nan 0.000 0.437 63 Y N -0.579 119.650 120.300 -0.118 0.000 2.497 63 Y HA 0.260 4.810 4.550 0.001 0.000 0.265 63 Y C 0.941 176.862 175.900 0.034 0.000 1.111 63 Y CA 0.368 58.446 58.100 -0.037 0.000 1.288 63 Y CB 0.945 39.368 38.460 -0.062 0.000 1.082 63 Y HN 0.319 nan 8.280 nan 0.000 0.536 64 G N -0.517 108.366 108.800 0.139 0.000 2.592 64 G HA2 -0.056 3.904 3.960 0.001 0.000 0.684 64 G HA3 -0.056 3.904 3.960 0.001 0.000 0.684 64 G C 0.914 175.958 174.900 0.239 0.000 1.291 64 G CA -0.549 44.650 45.100 0.164 0.000 0.891 64 G HN 0.458 nan 8.290 nan 0.000 0.544 65 G N -0.483 108.446 108.800 0.214 0.000 2.491 65 G HA2 0.058 4.018 3.960 0.001 0.000 0.218 65 G HA3 0.058 4.018 3.960 0.001 0.000 0.218 65 G C 1.029 176.061 174.900 0.219 0.000 1.180 65 G CA 1.533 46.771 45.100 0.229 0.000 0.774 65 G HN 0.957 nan 8.290 nan 0.000 0.562 66 I N 1.925 122.563 120.570 0.113 0.000 2.322 66 I HA 0.424 4.594 4.170 0.001 0.000 0.292 66 I C -0.394 175.639 176.117 -0.139 0.000 1.060 66 I CA -0.914 60.317 61.300 -0.115 0.000 1.309 66 I CB -0.757 37.115 38.000 -0.213 0.000 1.415 66 I HN 0.231 nan 8.210 nan 0.000 0.492 67 F N 2.762 122.574 119.950 -0.231 0.000 2.692 67 F HA 0.779 5.307 4.527 0.001 0.000 0.320 67 F C -0.574 175.079 175.800 -0.244 0.000 1.123 67 F CA -0.906 56.931 58.000 -0.271 0.000 0.961 67 F CB 1.585 40.465 39.000 -0.201 0.000 1.383 67 F HN 0.098 nan 8.300 nan 0.000 0.483 68 T N 2.601 117.095 114.554 -0.100 0.000 2.840 68 T HA 0.558 4.909 4.350 0.001 0.000 0.287 68 T C -0.459 174.220 174.700 -0.034 0.000 0.991 68 T CA -0.545 61.466 62.100 -0.149 0.000 0.964 68 T CB 1.247 70.020 68.868 -0.159 0.000 0.954 68 T HN 0.566 nan 8.240 nan 0.000 0.438 69 M N 2.849 122.430 119.600 -0.033 0.000 2.359 69 M HA 0.446 4.927 4.480 0.001 0.000 0.322 69 M C 0.427 176.751 176.300 0.040 0.000 1.166 69 M CA -0.830 54.479 55.300 0.015 0.000 1.067 69 M CB 0.823 33.392 32.600 -0.052 0.000 1.523 69 M HN 0.396 nan 8.290 nan 0.000 0.467 70 N N 2.240 121.131 118.700 0.318 0.000 2.443 70 N HA 0.332 5.073 4.740 0.001 0.000 0.269 70 N C -1.958 173.486 175.510 -0.111 0.000 0.985 70 N CA -0.274 52.786 53.050 0.017 0.000 0.921 70 N CB 1.078 39.529 38.487 -0.061 0.000 1.195 70 N HN 0.538 nan 8.380 nan 0.000 0.492 71 I N 3.708 124.116 120.570 -0.270 0.000 2.428 71 I HA 0.216 4.387 4.170 0.001 0.000 0.279 71 I C 0.388 176.366 176.117 -0.232 0.000 1.040 71 I CA -0.450 60.617 61.300 -0.389 0.000 1.171 71 I CB -0.245 37.217 38.000 -0.897 0.000 1.312 71 I HN 0.540 nan 8.210 nan 0.000 0.470 72 C N 4.888 124.124 119.300 -0.107 0.000 4.067 72 C HA -0.127 4.333 4.460 0.001 0.000 0.305 72 C C 1.702 176.707 174.990 0.025 0.000 1.305 72 C CA 0.640 59.668 59.018 0.016 0.000 2.111 72 C CB -2.392 25.407 27.740 0.098 0.000 1.339 72 C HN 1.242 nan 8.230 nan 0.000 0.668 73 G N 0.554 109.336 108.800 -0.031 0.000 2.196 73 G HA2 -0.307 3.653 3.960 0.001 0.000 0.268 73 G HA3 -0.307 3.653 3.960 0.001 0.000 0.268 73 G C -0.270 174.611 174.900 -0.031 0.000 0.975 73 G CA 0.824 45.906 45.100 -0.030 0.000 0.648 73 G HN 0.836 nan 8.290 nan 0.000 0.538 74 N N 0.027 118.692 118.700 -0.058 0.000 2.421 74 N HA 0.584 5.325 4.740 0.001 0.000 0.285 74 N C 0.101 175.539 175.510 -0.121 0.000 1.027 74 N CA -0.546 52.465 53.050 -0.065 0.000 0.918 74 N CB 0.838 39.303 38.487 -0.036 0.000 1.152 74 N HN 0.268 nan 8.380 nan 0.000 0.485 75 R N 1.846 122.293 120.500 -0.089 0.000 2.202 75 R HA 0.387 4.728 4.340 0.001 0.000 0.334 75 R C -0.563 175.664 176.300 -0.122 0.000 1.036 75 R CA -0.332 55.706 56.100 -0.102 0.000 0.878 75 R CB 0.806 31.060 30.300 -0.077 0.000 1.067 75 R HN 0.555 nan 8.270 nan 0.000 0.457 76 I N 2.431 122.900 120.570 -0.169 0.000 2.411 76 I HA 0.238 4.408 4.170 0.001 0.000 0.284 76 I C -0.934 175.052 176.117 -0.218 0.000 1.012 76 I CA -0.312 60.875 61.300 -0.189 0.000 1.119 76 I CB 1.801 39.636 38.000 -0.274 0.000 1.261 76 I HN 0.485 nan 8.210 nan 0.000 0.448 77 T N 7.471 121.901 114.554 -0.206 0.000 2.743 77 T HA 0.296 4.646 4.350 0.001 0.000 0.292 77 T C -0.096 174.402 174.700 -0.338 0.000 0.972 77 T CA -0.394 61.537 62.100 -0.282 0.000 0.967 77 T CB 1.102 69.847 68.868 -0.206 0.000 0.926 77 T HN 0.465 nan 8.240 nan 0.000 0.459 78 V N 2.422 122.002 119.914 -0.556 0.000 2.509 78 V HA 0.550 4.671 4.120 0.001 0.000 0.284 78 V C 0.091 175.911 176.094 -0.456 0.000 1.047 78 V CA -0.667 61.314 62.300 -0.531 0.000 0.952 78 V CB 1.216 32.660 31.823 -0.632 0.000 0.988 78 V HN 0.560 nan 8.190 nan 0.000 0.469 79 V N 6.264 125.986 119.914 -0.320 0.000 2.162 79 V HA 0.327 4.448 4.120 0.001 0.000 0.255 79 V C 1.631 177.698 176.094 -0.046 0.000 1.304 79 V CA 0.748 62.949 62.300 -0.164 0.000 1.198 79 V CB -0.283 31.457 31.823 -0.139 0.000 1.333 79 V HN 1.153 nan 8.190 nan 0.000 0.493 80 G N 2.387 111.181 108.800 -0.010 0.000 2.448 80 G HA2 -0.133 3.828 3.960 0.001 0.000 0.218 80 G HA3 -0.133 3.828 3.960 0.001 0.000 0.218 80 G C 0.655 175.651 174.900 0.161 0.000 1.135 80 G CA 0.105 45.280 45.100 0.124 0.000 0.784 80 G HN 0.663 nan 8.290 nan 0.000 0.543 81 D N 0.717 121.207 120.400 0.150 0.000 2.338 81 D HA 0.102 4.743 4.640 0.001 0.000 0.255 81 D C 1.370 177.749 176.300 0.131 0.000 1.237 81 D CA -0.343 53.753 54.000 0.161 0.000 0.883 81 D CB 1.405 42.308 40.800 0.172 0.000 1.087 81 D HN -0.102 nan 8.370 nan 0.000 0.485 82 V N 5.013 124.948 119.914 0.035 0.000 2.594 82 V HA -0.198 3.923 4.120 0.001 0.000 0.253 82 V C 1.822 177.704 176.094 -0.353 0.000 1.069 82 V CA 1.433 63.542 62.300 -0.319 0.000 1.082 82 V CB -0.677 30.993 31.823 -0.256 0.000 0.680 82 V HN 0.692 nan 8.190 nan 0.000 0.469 83 H N -0.892 118.136 119.070 -0.069 0.000 2.546 83 H HA 0.041 4.597 4.556 0.001 0.000 0.277 83 H C 1.443 176.807 175.328 0.060 0.000 1.004 83 H CA 0.737 56.781 56.048 -0.008 0.000 1.231 83 H CB 0.396 30.169 29.762 0.017 0.000 1.382 83 H HN 0.467 nan 8.280 nan 0.000 0.580 84 Q N -0.342 119.574 119.800 0.194 0.000 2.188 84 Q HA 0.052 4.393 4.340 0.001 0.000 0.212 84 Q C 1.127 177.308 176.000 0.302 0.000 0.846 84 Q CA -0.095 55.840 55.803 0.220 0.000 0.989 84 Q CB 0.185 29.036 28.738 0.189 0.000 1.114 84 Q HN 0.704 nan 8.270 nan 0.000 0.488 85 H N 0.379 119.562 119.070 0.190 0.000 2.387 85 H HA -0.118 4.439 4.556 0.001 0.000 0.299 85 H C 2.212 177.773 175.328 0.390 0.000 1.099 85 H CA 1.504 57.724 56.048 0.288 0.000 1.315 85 H CB 0.528 30.530 29.762 0.399 0.000 1.380 85 H HN 0.294 nan 8.280 nan 0.000 0.513 86 S N 0.879 116.843 115.700 0.441 0.000 2.419 86 S HA -0.106 4.364 4.470 0.001 0.000 0.233 86 S C 1.762 176.511 174.600 0.248 0.000 1.016 86 S CA 0.739 59.148 58.200 0.348 0.000 0.974 86 S CB -0.013 63.330 63.200 0.238 0.000 0.786 86 S HN 0.260 nan 8.310 nan 0.000 0.492 87 K N 0.340 120.869 120.400 0.214 0.000 2.362 87 K HA 0.087 4.407 4.320 0.001 0.000 0.200 87 K C 1.425 178.096 176.600 0.117 0.000 1.046 87 K CA 0.791 57.165 56.287 0.144 0.000 0.952 87 K CB -0.459 32.123 32.500 0.137 0.000 0.753 87 K HN 0.642 nan 8.250 nan 0.000 0.466 88 F N -0.627 119.280 119.950 -0.070 0.000 2.419 88 F HA 0.131 4.658 4.527 0.001 0.000 0.283 88 F C 1.564 177.217 175.800 -0.245 0.000 1.044 88 F CA 0.236 58.081 58.000 -0.258 0.000 1.376 88 F CB 0.034 38.719 39.000 -0.526 0.000 1.131 88 F HN -0.193 nan 8.300 nan 0.000 0.585 89 F N 0.005 120.050 119.950 0.158 0.000 2.661 89 F HA -0.003 4.524 4.527 0.001 0.000 0.298 89 F C 2.106 177.921 175.800 0.025 0.000 1.137 89 F CA 1.046 59.093 58.000 0.078 0.000 1.454 89 F CB -0.451 38.671 39.000 0.204 0.000 1.103 89 F HN -0.069 nan 8.300 nan 0.000 0.577 90 T N -1.146 113.506 114.554 0.162 0.000 2.988 90 T HA 0.102 4.452 4.350 0.001 0.000 0.240 90 T C -1.566 173.161 174.700 0.046 0.000 1.014 90 T CA 0.076 62.246 62.100 0.117 0.000 1.155 90 T CB -0.802 68.139 68.868 0.122 0.000 0.872 90 T HN -0.156 nan 8.240 nan 0.000 0.440 91 P HA 0.068 nan 4.420 nan 0.000 0.266 91 P C -0.011 177.274 177.300 -0.025 0.000 1.186 91 P CA 0.385 63.472 63.100 -0.022 0.000 0.767 91 P CB 0.398 32.063 31.700 -0.058 0.000 0.820 92 R N 2.068 122.557 120.500 -0.019 0.000 2.707 92 R HA 0.098 4.438 4.340 0.001 0.000 0.270 92 R C 1.144 177.415 176.300 -0.047 0.000 1.083 92 R CA -0.345 55.746 56.100 -0.015 0.000 1.182 92 R CB -0.061 30.229 30.300 -0.016 0.000 1.084 92 R HN 0.411 nan 8.270 nan 0.000 0.528 93 N N 1.195 119.869 118.700 -0.042 0.000 2.513 93 N HA -0.153 4.587 4.740 0.001 0.000 0.187 93 N C 0.804 176.202 175.510 -0.188 0.000 1.056 93 N CA 1.069 54.063 53.050 -0.094 0.000 0.907 93 N CB 0.034 38.474 38.487 -0.078 0.000 0.954 93 N HN 0.561 nan 8.380 nan 0.000 0.445 94 E N -0.283 119.807 120.200 -0.184 0.000 2.107 94 E HA -0.080 4.270 4.350 0.001 0.000 0.191 94 E C 1.034 177.567 176.600 -0.112 0.000 0.982 94 E CA 0.796 57.098 56.400 -0.163 0.000 0.809 94 E CB 0.051 29.672 29.700 -0.132 0.000 0.756 94 E HN 0.360 nan 8.360 nan 0.000 0.459 95 I N 0.390 120.904 120.570 -0.094 0.000 2.364 95 I HA -0.040 4.130 4.170 0.001 0.000 0.241 95 I C 0.875 176.933 176.117 -0.098 0.000 1.082 95 I CA 0.801 62.053 61.300 -0.080 0.000 1.401 95 I CB -0.002 37.960 38.000 -0.064 0.000 1.126 95 I HN -0.083 nan 8.210 nan 0.000 0.429 96 L N 0.038 121.188 121.223 -0.122 0.000 2.322 96 L HA 0.542 4.882 4.340 0.001 0.000 0.281 96 L C -0.275 176.498 176.870 -0.161 0.000 1.014 96 L CA -0.341 54.399 54.840 -0.166 0.000 0.815 96 L CB 1.636 43.541 42.059 -0.257 0.000 1.247 96 L HN -0.006 nan 8.230 nan 0.000 0.421 97 S N 3.486 119.085 115.700 -0.169 0.000 2.594 97 S HA 0.548 5.019 4.470 0.001 0.000 0.296 97 S C -2.116 172.331 174.600 -0.255 0.000 1.124 97 S CA -1.253 56.852 58.200 -0.158 0.000 1.011 97 S CB 1.852 64.990 63.200 -0.104 0.000 1.016 97 S HN 0.422 nan 8.310 nan 0.000 0.485 98 P HA 0.099 nan 4.420 nan 0.000 0.251 98 P C 1.327 178.278 177.300 -0.583 0.000 1.223 98 P CA -0.053 62.601 63.100 -0.742 0.000 0.796 98 P CB 0.200 31.197 31.700 -1.171 0.000 1.068 99 R N 1.375 121.748 120.500 -0.213 0.000 2.122 99 R HA -0.162 4.178 4.340 0.001 0.000 0.236 99 R C 2.100 178.390 176.300 -0.017 0.000 1.129 99 R CA 1.937 58.024 56.100 -0.021 0.000 0.925 99 R CB -0.831 29.505 30.300 0.060 0.000 0.850 99 R HN 0.393 nan 8.270 nan 0.000 0.431 100 E N 0.312 120.496 120.200 -0.027 0.000 2.208 100 E HA -0.070 4.281 4.350 0.001 0.000 0.193 100 E C 1.959 178.587 176.600 0.046 0.000 0.988 100 E CA 0.799 57.208 56.400 0.016 0.000 0.828 100 E CB -0.283 29.423 29.700 0.009 0.000 0.763 100 E HN 0.148 nan 8.360 nan 0.000 0.478 101 V N 0.438 120.363 119.914 0.019 0.000 3.306 101 V HA -0.102 4.019 4.120 0.001 0.000 0.264 101 V C 0.827 177.195 176.094 0.457 0.000 1.149 101 V CA 0.878 63.268 62.300 0.150 0.000 1.143 101 V CB -0.666 31.213 31.823 0.095 0.000 0.767 101 V HN 0.162 nan 8.190 nan 0.000 0.476 102 Y N -0.434 119.816 120.300 -0.085 0.000 2.531 102 Y HA 0.175 4.725 4.550 0.001 0.000 0.249 102 Y C 2.425 178.173 175.900 -0.254 0.000 1.168 102 Y CA -0.315 57.653 58.100 -0.221 0.000 1.226 102 Y CB -0.419 37.730 38.460 -0.519 0.000 1.177 102 Y HN 0.359 nan 8.280 nan 0.000 0.527 103 S N 0.167 115.920 115.700 0.089 0.000 2.419 103 S HA -0.249 4.222 4.470 0.001 0.000 0.235 103 S C 1.809 176.381 174.600 -0.048 0.000 1.019 103 S CA 1.251 59.483 58.200 0.055 0.000 0.982 103 S CB -1.468 61.783 63.200 0.085 0.000 0.789 103 S HN 0.454 nan 8.310 nan 0.000 0.490 104 F N 0.648 120.571 119.950 -0.044 0.000 2.583 104 F HA 0.294 4.822 4.527 0.001 0.000 0.297 104 F C 1.835 177.543 175.800 -0.153 0.000 1.131 104 F CA 0.263 58.194 58.000 -0.115 0.000 1.467 104 F CB -0.824 38.075 39.000 -0.169 0.000 1.097 104 F HN 0.132 nan 8.300 nan 0.000 0.586 105 M N -0.110 119.029 119.600 -0.767 0.000 2.495 105 M HA 0.043 4.523 4.480 0.001 0.000 0.237 105 M C 1.780 177.779 176.300 -0.502 0.000 1.131 105 M CA -0.049 54.782 55.300 -0.783 0.000 1.032 105 M CB 0.065 32.041 32.600 -1.039 0.000 1.513 105 M HN 0.134 nan 8.290 nan 0.000 0.488 106 V N 1.705 121.504 119.914 -0.191 0.000 2.317 106 V HA -0.227 3.893 4.120 0.001 0.000 0.251 106 V C -0.597 175.442 176.094 -0.091 0.000 1.065 106 V CA 2.218 64.493 62.300 -0.041 0.000 1.049 106 V CB -1.787 30.044 31.823 0.015 0.000 0.651 106 V HN 0.310 nan 8.190 nan 0.000 0.450 107 P HA -0.110 nan 4.420 nan 0.000 0.218 107 P C 1.722 178.919 177.300 -0.171 0.000 1.146 107 P CA 1.261 64.288 63.100 -0.122 0.000 0.813 107 P CB 0.005 31.629 31.700 -0.127 0.000 0.778 108 V N -1.916 117.794 119.914 -0.340 0.000 2.374 108 V HA -0.083 4.038 4.120 0.001 0.000 0.241 108 V C 2.056 177.992 176.094 -0.263 0.000 1.034 108 V CA 1.381 63.434 62.300 -0.411 0.000 1.037 108 V CB -1.164 30.185 31.823 -0.790 0.000 0.682 108 V HN 0.006 nan 8.190 nan 0.000 0.463 109 F N 0.879 120.757 119.950 -0.121 0.000 2.259 109 F HA 0.347 4.874 4.527 0.001 0.000 0.298 109 F C 1.484 177.220 175.800 -0.107 0.000 1.088 109 F CA 0.778 58.718 58.000 -0.099 0.000 1.358 109 F CB -0.295 38.654 39.000 -0.085 0.000 1.040 109 F HN 0.378 nan 8.300 nan 0.000 0.505 110 G N 0.842 109.702 108.800 0.100 0.000 2.690 110 G HA2 -0.157 3.804 3.960 0.001 0.000 0.686 110 G HA3 -0.157 3.804 3.960 0.001 0.000 0.686 110 G C -0.811 174.233 174.900 0.240 0.000 1.277 110 G CA -1.250 43.927 45.100 0.130 0.000 0.799 110 G HN 0.033 nan 8.290 nan 0.000 0.613 111 E N 0.195 120.590 120.200 0.325 0.000 2.481 111 E HA 0.373 4.723 4.350 0.001 0.000 0.263 111 E C 1.384 178.146 176.600 0.271 0.000 0.992 111 E CA 1.188 57.721 56.400 0.222 0.000 0.938 111 E CB 0.367 30.124 29.700 0.096 0.000 0.933 111 E HN 2.307 nan 8.360 nan 0.000 0.453 112 G N 1.533 110.425 108.800 0.154 0.000 2.356 112 G HA2 -0.232 3.729 3.960 0.001 0.000 0.296 112 G HA3 -0.232 3.729 3.960 0.001 0.000 0.296 112 G C -0.127 174.847 174.900 0.123 0.000 1.022 112 G CA 0.457 45.628 45.100 0.118 0.000 0.961 112 G HN 0.297 nan 8.290 nan 0.000 0.510 113 V N -0.894 119.082 119.914 0.103 0.000 2.876 113 V HA 0.885 5.005 4.120 0.001 0.000 0.312 113 V C 1.185 177.220 176.094 -0.098 0.000 1.085 113 V CA 0.214 62.527 62.300 0.023 0.000 0.945 113 V CB 1.233 33.069 31.823 0.021 0.000 1.017 113 V HN 2.290 nan 8.190 nan 0.000 0.428 114 A N 3.129 125.801 122.820 -0.247 0.000 5.391 114 A HA -0.314 4.007 4.320 0.001 0.000 0.315 114 A C 1.027 178.396 177.584 -0.359 0.000 1.874 114 A CA 2.206 53.923 52.037 -0.533 0.000 0.714 114 A CB -1.941 16.430 19.000 -1.049 0.000 1.335 114 A HN 1.129 nan 8.150 nan 0.000 0.382 115 Y N -0.334 119.902 120.300 -0.107 0.000 2.333 115 Y HA 0.123 4.674 4.550 0.001 0.000 0.290 115 Y C 2.704 178.633 175.900 0.048 0.000 1.144 115 Y CA 1.340 59.449 58.100 0.015 0.000 1.228 115 Y CB -0.317 38.197 38.460 0.089 0.000 0.985 115 Y HN 0.755 nan 8.280 nan 0.000 0.542 116 A N 0.045 122.973 122.820 0.179 0.000 2.259 116 A HA 0.488 4.809 4.320 0.001 0.000 0.208 116 A C 1.035 178.678 177.584 0.098 0.000 1.201 116 A CA 0.505 52.631 52.037 0.149 0.000 0.824 116 A CB -0.798 18.303 19.000 0.168 0.000 0.838 116 A HN 0.231 nan 8.150 nan 0.000 0.485 117 A N 0.020 122.881 122.820 0.068 0.000 2.330 117 A HA 0.736 5.056 4.320 0.001 0.000 0.329 117 A C -2.874 174.736 177.584 0.043 0.000 1.135 117 A CA -2.097 49.964 52.037 0.039 0.000 0.817 117 A CB 0.471 19.475 19.000 0.006 0.000 1.269 117 A HN 0.105 nan 8.150 nan 0.000 0.469 118 P HA -0.057 nan 4.420 nan 0.000 0.266 118 P C 0.330 177.663 177.300 0.055 0.000 1.186 118 P CA 0.362 63.489 63.100 0.044 0.000 0.767 118 P CB 0.164 31.867 31.700 0.005 0.000 0.820 119 Y N 7.229 127.527 120.300 -0.002 0.000 2.069 119 Y HA -0.200 4.350 4.550 0.001 0.000 0.278 119 Y C -0.880 175.010 175.900 -0.016 0.000 1.175 119 Y CA 2.318 60.419 58.100 0.001 0.000 1.134 119 Y CB -2.126 36.335 38.460 0.002 0.000 0.965 119 Y HN 0.384 nan 8.280 nan 0.000 0.498 120 P HA -0.126 nan 4.420 nan 0.000 0.219 120 P C 1.272 178.408 177.300 -0.272 0.000 1.150 120 P CA 1.630 64.469 63.100 -0.434 0.000 0.814 120 P CB -0.067 31.543 31.700 -0.150 0.000 0.787 121 R N -0.236 120.162 120.500 -0.170 0.000 2.115 121 R HA 0.028 4.368 4.340 0.001 0.000 0.230 121 R C 2.522 178.766 176.300 -0.093 0.000 1.111 121 R CA 1.097 57.130 56.100 -0.111 0.000 0.976 121 R CB -1.434 28.800 30.300 -0.109 0.000 0.870 121 R HN 0.152 nan 8.270 nan 0.000 0.445 122 M N -0.368 119.141 119.600 -0.152 0.000 2.077 122 M HA -0.154 4.326 4.480 0.001 0.000 0.261 122 M C 1.587 177.742 176.300 -0.241 0.000 1.070 122 M CA 1.547 56.741 55.300 -0.176 0.000 1.125 122 M CB -0.054 32.479 32.600 -0.113 0.000 1.339 122 M HN -0.048 nan 8.290 nan 0.000 0.409 123 R N 1.091 121.396 120.500 -0.325 0.000 2.094 123 R HA -0.152 4.189 4.340 0.001 0.000 0.239 123 R C 1.935 178.027 176.300 -0.348 0.000 1.137 123 R CA 2.099 57.994 56.100 -0.341 0.000 0.943 123 R CB -1.329 28.710 30.300 -0.435 0.000 0.850 123 R HN 0.629 nan 8.270 nan 0.000 0.433 124 E N 0.708 120.697 120.200 -0.350 0.000 2.085 124 E HA -0.211 4.139 4.350 0.001 0.000 0.194 124 E C 2.161 178.242 176.600 -0.866 0.000 0.994 124 E CA 1.098 57.158 56.400 -0.567 0.000 0.801 124 E CB -0.109 29.446 29.700 -0.242 0.000 0.743 124 E HN 0.483 nan 8.360 nan 0.000 0.453 125 Q N 0.464 120.052 119.800 -0.354 0.000 2.084 125 Q HA -0.132 4.208 4.340 0.001 0.000 0.202 125 Q C 2.407 178.286 176.000 -0.202 0.000 0.978 125 Q CA 1.032 56.737 55.803 -0.164 0.000 0.844 125 Q CB -0.117 28.608 28.738 -0.022 0.000 0.898 125 Q HN 0.290 nan 8.270 nan 0.000 0.426 126 L N 0.677 121.753 121.223 -0.246 0.000 2.093 126 L HA -0.187 4.154 4.340 0.001 0.000 0.208 126 L C 1.988 178.757 176.870 -0.169 0.000 1.085 126 L CA 0.636 55.361 54.840 -0.192 0.000 0.755 126 L CB -0.395 41.548 42.059 -0.194 0.000 0.904 126 L HN 0.237 nan 8.230 nan 0.000 0.435 127 N N 0.273 118.810 118.700 -0.271 0.000 2.043 127 N HA -0.184 4.556 4.740 0.001 0.000 0.193 127 N C 1.804 177.245 175.510 -0.115 0.000 1.037 127 N CA 1.531 54.441 53.050 -0.233 0.000 0.851 127 N CB -0.521 37.764 38.487 -0.336 0.000 1.027 127 N HN 0.250 nan 8.380 nan 0.000 0.422 128 F N 0.226 120.106 119.950 -0.117 0.000 2.147 128 F HA -0.211 4.316 4.527 0.001 0.000 0.301 128 F C 2.149 177.888 175.800 -0.102 0.000 1.084 128 F CA 0.223 58.146 58.000 -0.128 0.000 1.268 128 F CB -0.160 38.739 39.000 -0.169 0.000 1.009 128 F HN 0.085 nan 8.300 nan 0.000 0.486 129 L N 0.397 121.671 121.223 0.084 0.000 2.131 129 L HA 0.051 4.392 4.340 0.001 0.000 0.206 129 L C 2.395 179.275 176.870 0.017 0.000 1.087 129 L CA 1.650 56.511 54.840 0.037 0.000 0.767 129 L CB -1.039 41.031 42.059 0.019 0.000 0.917 129 L HN -0.003 nan 8.230 nan 0.000 0.441 130 A N -0.733 122.088 122.820 0.002 0.000 1.933 130 A HA -0.213 4.108 4.320 0.001 0.000 0.218 130 A C 2.150 179.725 177.584 -0.015 0.000 1.175 130 A CA 1.827 53.865 52.037 0.002 0.000 0.628 130 A CB -0.548 18.442 19.000 -0.016 0.000 0.814 130 A HN 0.606 nan 8.150 nan 0.000 0.444 131 E N -0.308 119.883 120.200 -0.015 0.000 2.208 131 E HA -0.103 4.248 4.350 0.001 0.000 0.193 131 E C 1.222 177.774 176.600 -0.080 0.000 0.988 131 E CA 0.749 57.126 56.400 -0.038 0.000 0.828 131 E CB -0.021 29.677 29.700 -0.002 0.000 0.763 131 E HN 0.534 nan 8.360 nan 0.000 0.478 132 E N 0.108 120.271 120.200 -0.062 0.000 2.511 132 E HA -0.010 4.340 4.350 0.001 0.000 0.196 132 E C 1.198 177.709 176.600 -0.148 0.000 1.066 132 E CA 0.462 56.803 56.400 -0.097 0.000 0.871 132 E CB 0.433 30.101 29.700 -0.054 0.000 0.863 132 E HN 0.323 nan 8.360 nan 0.000 0.520 133 L N 0.676 121.821 121.223 -0.130 0.000 3.135 133 L HA 0.096 4.437 4.340 0.001 0.000 0.279 133 L C 0.654 177.444 176.870 -0.133 0.000 1.200 133 L CA -0.094 54.689 54.840 -0.094 0.000 1.016 133 L CB 0.555 42.653 42.059 0.065 0.000 1.391 133 L HN -0.038 nan 8.230 nan 0.000 0.588 134 T N -1.996 112.404 114.554 -0.256 0.000 2.900 134 T HA 0.109 4.460 4.350 0.001 0.000 0.307 134 T C 1.693 176.056 174.700 -0.563 0.000 1.065 134 T CA -0.102 61.857 62.100 -0.235 0.000 1.105 134 T CB 1.646 70.407 68.868 -0.178 0.000 0.979 134 T HN 0.039 nan 8.240 nan 0.000 0.544 135 V N 0.039 119.846 119.914 -0.177 0.000 2.439 135 V HA -0.156 3.964 4.120 0.001 0.000 0.253 135 V C 2.813 178.623 176.094 -0.474 0.000 1.074 135 V CA 1.790 64.056 62.300 -0.057 0.000 1.076 135 V CB -2.012 29.966 31.823 0.258 0.000 0.664 135 V HN 1.074 nan 8.190 nan 0.000 0.461 136 A N 0.037 122.616 122.820 -0.402 0.000 2.131 136 A HA -0.121 4.199 4.320 0.001 0.000 0.220 136 A C 2.068 179.356 177.584 -0.493 0.000 1.158 136 A CA 1.699 53.517 52.037 -0.366 0.000 0.665 136 A CB -0.439 18.416 19.000 -0.242 0.000 0.795 136 A HN 0.581 nan 8.150 nan 0.000 0.460 137 K N -0.730 119.194 120.400 -0.794 0.000 2.404 137 K HA 0.155 4.475 4.320 0.001 0.000 0.194 137 K C -0.913 175.070 176.600 -1.030 0.000 1.023 137 K CA 0.030 55.837 56.287 -0.799 0.000 1.094 137 K CB 0.021 32.061 32.500 -0.766 0.000 0.841 137 K HN 0.468 nan 8.250 nan 0.000 0.523 138 F N 1.737 121.276 119.950 -0.685 0.000 2.309 138 F HA 0.298 4.825 4.527 0.001 0.000 0.366 138 F C 1.370 176.857 175.800 -0.521 0.000 1.104 138 F CA -0.641 56.829 58.000 -0.883 0.000 1.179 138 F CB 0.938 39.590 39.000 -0.580 0.000 1.437 138 F HN -0.198 nan 8.300 nan 0.000 0.528 139 Q N 1.532 121.236 119.800 -0.160 0.000 2.481 139 Q HA 0.061 4.401 4.340 0.001 0.000 0.219 139 Q C 0.970 177.034 176.000 0.106 0.000 0.920 139 Q CA 0.785 56.564 55.803 -0.040 0.000 0.915 139 Q CB 0.077 28.792 28.738 -0.039 0.000 1.057 139 Q HN 0.611 nan 8.270 nan 0.000 0.581 140 N N -0.655 118.189 118.700 0.240 0.000 2.351 140 N HA 0.071 4.811 4.740 0.001 0.000 0.254 140 N C 0.510 176.237 175.510 0.362 0.000 1.241 140 N CA -0.162 53.034 53.050 0.243 0.000 0.883 140 N CB -0.290 38.288 38.487 0.151 0.000 1.202 140 N HN -0.105 nan 8.380 nan 0.000 0.512 141 F N 1.491 121.522 119.950 0.135 0.000 2.146 141 F HA 0.148 4.675 4.527 0.001 0.000 0.298 141 F C 2.508 178.363 175.800 0.092 0.000 1.096 141 F CA 0.690 58.780 58.000 0.150 0.000 1.275 141 F CB -0.884 38.264 39.000 0.247 0.000 1.008 141 F HN 0.258 nan 8.300 nan 0.000 0.480 142 A N 0.749 123.745 122.820 0.293 0.000 1.849 142 A HA -0.195 4.126 4.320 0.001 0.000 0.217 142 A C 0.052 177.699 177.584 0.105 0.000 1.202 142 A CA 2.108 54.237 52.037 0.154 0.000 0.629 142 A CB -2.136 16.950 19.000 0.142 0.000 0.834 142 A HN 0.234 nan 8.150 nan 0.000 0.447 143 P HA -0.114 nan 4.420 nan 0.000 0.215 143 P C 1.763 179.111 177.300 0.081 0.000 1.157 143 P CA 1.920 65.073 63.100 0.087 0.000 0.874 143 P CB -0.199 31.549 31.700 0.080 0.000 0.790 144 S N -0.422 115.317 115.700 0.066 0.000 2.353 144 S HA -0.172 4.298 4.470 0.001 0.000 0.222 144 S C 1.924 176.546 174.600 0.037 0.000 1.035 144 S CA 1.332 59.548 58.200 0.027 0.000 1.025 144 S CB -1.275 61.899 63.200 -0.043 0.000 0.902 144 S HN 0.119 nan 8.310 nan 0.000 0.440 145 I N 1.582 122.159 120.570 0.012 0.000 2.163 145 I HA -0.290 3.880 4.170 0.001 0.000 0.243 145 I C 2.776 178.887 176.117 -0.011 0.000 1.085 145 I CA 1.434 62.719 61.300 -0.025 0.000 1.347 145 I CB -0.516 37.459 38.000 -0.042 0.000 1.044 145 I HN 0.354 nan 8.210 nan 0.000 0.408 146 Q N -0.389 119.424 119.800 0.021 0.000 2.084 146 Q HA -0.280 4.061 4.340 0.001 0.000 0.202 146 Q C 2.184 178.208 176.000 0.039 0.000 0.978 146 Q CA 1.919 57.737 55.803 0.024 0.000 0.844 146 Q CB -0.308 28.456 28.738 0.043 0.000 0.898 146 Q HN 0.564 nan 8.270 nan 0.000 0.426 147 H N 0.831 119.893 119.070 -0.013 0.000 2.290 147 H HA -0.140 4.416 4.556 0.001 0.000 0.298 147 H C 1.870 177.183 175.328 -0.024 0.000 1.087 147 H CA 1.819 57.861 56.048 -0.011 0.000 1.291 147 H CB 0.264 30.021 29.762 -0.009 0.000 1.369 147 H HN 0.124 nan 8.280 nan 0.000 0.492 148 E N -0.059 120.151 120.200 0.017 0.000 2.110 148 E HA -0.096 4.255 4.350 0.001 0.000 0.193 148 E C 2.484 179.022 176.600 -0.103 0.000 0.988 148 E CA 1.069 57.438 56.400 -0.051 0.000 0.804 148 E CB -0.293 29.390 29.700 -0.029 0.000 0.745 148 E HN 0.400 nan 8.360 nan 0.000 0.458 149 V N 0.778 120.627 119.914 -0.107 0.000 2.970 149 V HA -0.122 3.998 4.120 0.001 0.000 0.260 149 V C 2.022 178.047 176.094 -0.115 0.000 1.100 149 V CA 1.218 63.434 62.300 -0.139 0.000 1.122 149 V CB -0.376 31.375 31.823 -0.120 0.000 0.721 149 V HN 0.116 nan 8.190 nan 0.000 0.483 150 R N -0.439 119.996 120.500 -0.109 0.000 2.282 150 R HA 0.113 4.454 4.340 0.001 0.000 0.195 150 R C 2.234 178.447 176.300 -0.145 0.000 0.909 150 R CA 0.109 56.153 56.100 -0.093 0.000 1.039 150 R CB 0.039 30.302 30.300 -0.062 0.000 1.015 150 R HN 0.362 nan 8.270 nan 0.000 0.513 151 K N 0.240 120.516 120.400 -0.208 0.000 2.186 151 K HA -0.051 4.270 4.320 0.001 0.000 0.202 151 K C 1.509 178.016 176.600 -0.156 0.000 1.052 151 K CA 0.859 57.025 56.287 -0.203 0.000 0.965 151 K CB 0.088 32.440 32.500 -0.247 0.000 0.746 151 K HN 0.039 nan 8.250 nan 0.000 0.457 152 F N 1.560 121.329 119.950 -0.302 0.000 2.098 152 F HA -0.109 4.419 4.527 0.001 0.000 0.294 152 F C 2.119 177.592 175.800 -0.546 0.000 1.107 152 F CA 1.464 59.230 58.000 -0.390 0.000 1.234 152 F CB -0.041 38.698 39.000 -0.434 0.000 1.002 152 F HN -0.077 nan 8.300 nan 0.000 0.472 153 M N 0.077 119.462 119.600 -0.358 0.000 2.080 153 M HA -0.254 4.226 4.480 0.001 0.000 0.260 153 M C 2.197 178.356 176.300 -0.236 0.000 1.068 153 M CA 1.855 56.839 55.300 -0.526 0.000 1.109 153 M CB -0.563 31.872 32.600 -0.275 0.000 1.342 153 M HN 0.033 nan 8.290 nan 0.000 0.405 154 K N -0.025 120.298 120.400 -0.128 0.000 2.442 154 K HA -0.033 4.288 4.320 0.001 0.000 0.198 154 K C 1.544 178.080 176.600 -0.107 0.000 1.042 154 K CA 1.001 57.257 56.287 -0.051 0.000 0.958 154 K CB 0.128 32.605 32.500 -0.039 0.000 0.766 154 K HN 0.314 nan 8.250 nan 0.000 0.474 155 A N -0.074 122.607 122.820 -0.232 0.000 2.108 155 A HA 0.123 4.443 4.320 0.001 0.000 0.206 155 A C 1.223 178.618 177.584 -0.314 0.000 1.212 155 A CA 0.298 52.187 52.037 -0.248 0.000 0.843 155 A CB 0.144 18.979 19.000 -0.275 0.000 0.902 155 A HN 0.283 nan 8.150 nan 0.000 0.477 156 N N -1.947 116.451 118.700 -0.502 0.000 2.257 156 N HA 0.044 4.784 4.740 0.001 0.000 0.200 156 N C -0.855 174.646 175.510 -0.015 0.000 1.163 156 N CA -0.001 52.782 53.050 -0.444 0.000 0.891 156 N CB 0.556 38.455 38.487 -0.980 0.000 1.067 156 N HN 0.506 nan 8.380 nan 0.000 0.497 157 W N 2.662 123.767 121.300 -0.325 0.000 2.148 157 W HA 0.351 5.011 4.660 0.001 0.000 0.288 157 W C 0.315 176.814 176.519 -0.033 0.000 0.920 157 W CA -1.081 56.000 57.345 -0.441 0.000 1.904 157 W CB -0.847 28.090 29.460 -0.872 0.000 2.083 157 W HN 0.090 nan 8.180 nan 0.000 0.398 158 N N 0.413 119.264 118.700 0.253 0.000 2.414 158 N HA -0.019 4.722 4.740 0.001 0.000 0.177 158 N C 0.417 176.079 175.510 0.254 0.000 1.062 158 N CA 0.172 53.353 53.050 0.219 0.000 0.890 158 N CB 0.250 38.802 38.487 0.109 0.000 1.070 158 N HN 0.096 nan 8.380 nan 0.000 0.454 159 K N 0.822 121.420 120.400 0.329 0.000 2.230 159 K HA 0.044 4.364 4.320 0.001 0.000 0.253 159 K C 0.194 176.903 176.600 0.182 0.000 1.008 159 K CA -0.237 56.181 56.287 0.219 0.000 0.910 159 K CB 0.615 33.220 32.500 0.175 0.000 0.994 159 K HN -0.111 nan 8.250 nan 0.000 0.495 160 D N 1.048 121.470 120.400 0.037 0.000 2.126 160 D HA -0.205 4.436 4.640 0.001 0.000 0.190 160 D C 0.542 176.738 176.300 -0.173 0.000 1.001 160 D CA 1.712 55.690 54.000 -0.037 0.000 0.841 160 D CB 0.088 40.851 40.800 -0.062 0.000 0.949 160 D HN 0.669 nan 8.370 nan 0.000 0.446 161 E N -1.796 118.202 120.200 -0.337 0.000 2.460 161 E HA 0.649 4.999 4.350 0.001 0.000 0.277 161 E C -0.368 175.742 176.600 -0.816 0.000 1.010 161 E CA -1.229 54.700 56.400 -0.784 0.000 0.838 161 E CB 2.052 31.473 29.700 -0.466 0.000 1.448 161 E HN 0.109 nan 8.360 nan 0.000 0.462 162 G N 0.249 108.486 108.800 -0.939 0.000 2.338 162 G HA2 0.313 4.274 3.960 0.001 0.000 0.295 162 G HA3 0.313 4.274 3.960 0.001 0.000 0.295 162 G C -1.859 172.979 174.900 -0.103 0.000 1.461 162 G CA -0.675 44.239 45.100 -0.310 0.000 0.817 162 G HN 0.703 nan 8.290 nan 0.000 0.556 163 E N -0.509 119.698 120.200 0.011 0.000 2.216 163 E HA 0.738 5.089 4.350 0.001 0.000 0.279 163 E C 0.007 176.650 176.600 0.072 0.000 0.997 163 E CA -0.809 55.608 56.400 0.028 0.000 0.817 163 E CB 2.131 31.832 29.700 0.002 0.000 1.096 163 E HN 0.942 nan 8.360 nan 0.000 0.393 164 I N -1.038 119.564 120.570 0.054 0.000 3.093 164 I HA 0.437 4.607 4.170 0.001 0.000 0.308 164 I C -1.336 174.800 176.117 0.030 0.000 1.303 164 I CA -1.272 60.063 61.300 0.059 0.000 0.975 164 I CB 2.373 40.414 38.000 0.069 0.000 1.286 164 I HN 0.351 nan 8.210 nan 0.000 0.459 165 N N 2.752 121.479 118.700 0.045 0.000 2.521 165 N HA 0.183 4.923 4.740 0.001 0.000 0.236 165 N C 0.462 175.979 175.510 0.013 0.000 1.067 165 N CA -0.240 52.814 53.050 0.007 0.000 0.939 165 N CB 1.029 39.518 38.487 0.003 0.000 1.201 165 N HN 0.846 nan 8.380 nan 0.000 0.511 166 I N 4.790 125.336 120.570 -0.041 0.000 2.151 166 I HA -0.255 3.915 4.170 0.001 0.000 0.243 166 I C 1.925 177.993 176.117 -0.082 0.000 1.080 166 I CA 1.180 62.442 61.300 -0.062 0.000 1.339 166 I CB -0.276 37.608 38.000 -0.193 0.000 1.039 166 I HN 0.595 nan 8.210 nan 0.000 0.409 167 L N 0.568 121.709 121.223 -0.136 0.000 2.043 167 L HA -0.260 4.081 4.340 0.001 0.000 0.212 167 L C 1.949 178.760 176.870 -0.098 0.000 1.075 167 L CA 2.135 56.882 54.840 -0.156 0.000 0.752 167 L CB -1.157 40.787 42.059 -0.192 0.000 0.891 167 L HN 0.298 nan 8.230 nan 0.000 0.432 168 D N -0.518 119.854 120.400 -0.047 0.000 2.149 168 D HA -0.138 4.503 4.640 0.001 0.000 0.201 168 D C 1.756 178.067 176.300 0.017 0.000 0.972 168 D CA 1.345 55.340 54.000 -0.009 0.000 0.835 168 D CB -0.158 40.656 40.800 0.023 0.000 0.966 168 D HN 0.436 nan 8.370 nan 0.000 0.476 169 D N -0.407 120.038 120.400 0.075 0.000 2.149 169 D HA -0.063 4.578 4.640 0.001 0.000 0.201 169 D C 2.072 178.207 176.300 -0.276 0.000 0.972 169 D CA 0.434 54.496 54.000 0.104 0.000 0.835 169 D CB -0.431 40.655 40.800 0.476 0.000 0.966 169 D HN 0.176 nan 8.370 nan 0.000 0.476 170 C N -0.049 119.141 119.300 -0.182 0.000 2.440 170 C HA -0.081 4.380 4.460 0.001 0.000 0.278 170 C C 2.948 177.781 174.990 -0.262 0.000 1.295 170 C CA 0.972 59.838 59.018 -0.252 0.000 1.738 170 C CB -0.840 26.792 27.740 -0.180 0.000 1.987 170 C HN 0.341 nan 8.230 nan 0.000 0.492 171 S N 0.694 116.278 115.700 -0.194 0.000 2.359 171 S HA -0.172 4.299 4.470 0.001 0.000 0.224 171 S C 2.067 176.552 174.600 -0.192 0.000 1.035 171 S CA 1.804 59.902 58.200 -0.171 0.000 1.018 171 S CB -0.351 62.779 63.200 -0.118 0.000 0.876 171 S HN 0.620 nan 8.310 nan 0.000 0.448 172 A N 1.416 124.114 122.820 -0.204 0.000 1.908 172 A HA -0.062 4.258 4.320 0.001 0.000 0.218 172 A C 2.299 179.682 177.584 -0.335 0.000 1.181 172 A CA 1.795 53.721 52.037 -0.185 0.000 0.627 172 A CB -0.673 18.320 19.000 -0.011 0.000 0.818 172 A HN 0.649 nan 8.150 nan 0.000 0.445 173 M N -0.763 118.472 119.600 -0.609 0.000 2.175 173 M HA -0.092 4.388 4.480 0.001 0.000 0.264 173 M C 1.926 178.037 176.300 -0.315 0.000 1.063 173 M CA 1.081 56.045 55.300 -0.560 0.000 1.119 173 M CB -0.402 31.786 32.600 -0.686 0.000 1.377 173 M HN 0.306 nan 8.290 nan 0.000 0.415 174 I N 0.042 120.449 120.570 -0.272 0.000 2.202 174 I HA -0.227 3.943 4.170 0.001 0.000 0.242 174 I C 2.454 178.469 176.117 -0.170 0.000 1.091 174 I CA 1.354 62.531 61.300 -0.206 0.000 1.368 174 I CB -1.059 36.829 38.000 -0.187 0.000 1.058 174 I HN 0.244 nan 8.210 nan 0.000 0.410 175 I N 1.741 122.219 120.570 -0.154 0.000 2.286 175 I HA -0.277 3.893 4.170 0.001 0.000 0.248 175 I C 2.103 178.133 176.117 -0.145 0.000 1.115 175 I CA 1.509 62.738 61.300 -0.119 0.000 1.392 175 I CB -0.603 37.364 38.000 -0.056 0.000 1.065 175 I HN 0.197 nan 8.210 nan 0.000 0.418 176 N N 0.086 118.705 118.700 -0.135 0.000 2.084 176 N HA -0.160 4.580 4.740 0.001 0.000 0.190 176 N C 1.914 177.340 175.510 -0.140 0.000 1.030 176 N CA 2.236 55.215 53.050 -0.118 0.000 0.849 176 N CB -0.991 37.443 38.487 -0.090 0.000 1.012 176 N HN 0.559 nan 8.380 nan 0.000 0.423 177 T N -1.744 112.719 114.554 -0.151 0.000 2.915 177 T HA 0.119 4.470 4.350 0.001 0.000 0.269 177 T C 1.933 176.544 174.700 -0.148 0.000 1.071 177 T CA 1.071 63.085 62.100 -0.143 0.000 1.132 177 T CB -0.324 68.453 68.868 -0.151 0.000 0.878 177 T HN 0.186 nan 8.240 nan 0.000 0.479 178 A N 1.022 123.754 122.820 -0.146 0.000 1.840 178 A HA 0.025 4.346 4.320 0.001 0.000 0.214 178 A C 2.732 180.116 177.584 -0.334 0.000 1.198 178 A CA 1.239 53.210 52.037 -0.109 0.000 0.608 178 A CB -1.371 17.578 19.000 -0.086 0.000 0.839 178 A HN 0.666 nan 8.150 nan 0.000 0.443 179 C N -0.958 118.048 119.300 -0.490 0.000 2.411 179 C HA -0.109 4.351 4.460 0.001 0.000 0.279 179 C C 2.818 177.608 174.990 -0.334 0.000 1.288 179 C CA 1.488 60.072 59.018 -0.724 0.000 1.764 179 C CB -1.200 26.202 27.740 -0.564 0.000 1.974 179 C HN 0.753 nan 8.230 nan 0.000 0.498 180 Q N -0.421 119.243 119.800 -0.227 0.000 2.230 180 Q HA -0.064 4.276 4.340 0.001 0.000 0.202 180 Q C 2.017 177.883 176.000 -0.222 0.000 0.963 180 Q CA 1.704 57.416 55.803 -0.151 0.000 0.866 180 Q CB -0.364 28.311 28.738 -0.105 0.000 0.931 180 Q HN 0.707 nan 8.270 nan 0.000 0.452 181 C N -1.249 117.834 119.300 -0.361 0.000 2.519 181 C HA 0.206 4.666 4.460 0.001 0.000 0.281 181 C C 2.188 176.851 174.990 -0.545 0.000 1.331 181 C CA 0.101 58.656 59.018 -0.771 0.000 1.725 181 C CB -0.556 26.489 27.740 -1.158 0.000 2.079 181 C HN 0.481 nan 8.230 nan 0.000 0.496 182 L N -1.448 119.620 121.223 -0.258 0.000 2.463 182 L HA 0.249 4.590 4.340 0.001 0.000 0.219 182 L C 0.219 177.244 176.870 0.259 0.000 1.088 182 L CA 0.448 55.290 54.840 0.004 0.000 0.849 182 L CB -0.133 41.917 42.059 -0.014 0.000 1.012 182 L HN 0.267 nan 8.230 nan 0.000 0.468 183 F N 0.572 120.431 119.950 -0.152 0.000 2.410 183 F HA 0.381 4.909 4.527 0.001 0.000 0.349 183 F C 1.300 177.044 175.800 -0.094 0.000 1.117 183 F CA -1.095 56.827 58.000 -0.130 0.000 1.104 183 F CB 1.181 40.083 39.000 -0.163 0.000 1.122 183 F HN -0.096 nan 8.300 nan 0.000 0.483 184 G N 2.016 110.841 108.800 0.043 0.000 2.699 184 G HA2 -0.056 3.905 3.960 0.001 0.000 0.246 184 G HA3 -0.056 3.905 3.960 0.001 0.000 0.246 184 G C 0.713 175.619 174.900 0.011 0.000 1.219 184 G CA -0.300 44.804 45.100 0.006 0.000 0.866 184 G HN 0.847 nan 8.290 nan 0.000 0.572 185 E N -0.332 119.868 120.200 0.001 0.000 2.106 185 E HA -0.171 4.180 4.350 0.001 0.000 0.192 185 E C 1.901 178.500 176.600 -0.002 0.000 0.984 185 E CA 1.398 57.799 56.400 0.003 0.000 0.806 185 E CB -0.003 29.695 29.700 -0.005 0.000 0.750 185 E HN 0.630 nan 8.360 nan 0.000 0.458 186 D N 0.855 121.245 120.400 -0.016 0.000 2.219 186 D HA -0.188 4.453 4.640 0.001 0.000 0.205 186 D C 2.070 178.353 176.300 -0.029 0.000 0.970 186 D CA 0.501 54.488 54.000 -0.021 0.000 0.851 186 D CB -0.302 40.481 40.800 -0.028 0.000 0.943 186 D HN 0.301 nan 8.370 nan 0.000 0.488 187 L N 0.245 121.438 121.223 -0.049 0.000 2.131 187 L HA 0.155 4.496 4.340 0.001 0.000 0.206 187 L C 2.340 179.203 176.870 -0.013 0.000 1.087 187 L CA 1.137 55.927 54.840 -0.083 0.000 0.767 187 L CB -0.366 41.560 42.059 -0.222 0.000 0.917 187 L HN -0.224 nan 8.230 nan 0.000 0.441 188 R N -0.655 119.867 120.500 0.037 0.000 2.235 188 R HA -0.029 4.311 4.340 0.001 0.000 0.213 188 R C 2.034 178.370 176.300 0.059 0.000 1.059 188 R CA 0.759 56.911 56.100 0.087 0.000 0.997 188 R CB -0.049 30.303 30.300 0.086 0.000 0.884 188 R HN 0.332 nan 8.270 nan 0.000 0.462 189 K N -0.240 120.180 120.400 0.034 0.000 2.167 189 K HA 0.022 4.343 4.320 0.001 0.000 0.203 189 K C 1.794 178.413 176.600 0.032 0.000 1.052 189 K CA 0.591 56.895 56.287 0.028 0.000 0.956 189 K CB 0.243 32.753 32.500 0.016 0.000 0.735 189 K HN 0.020 nan 8.250 nan 0.000 0.451 190 R N 0.264 120.781 120.500 0.029 0.000 2.119 190 R HA 0.064 4.405 4.340 0.001 0.000 0.222 190 R C 0.510 176.845 176.300 0.059 0.000 1.088 190 R CA 0.511 56.631 56.100 0.033 0.000 0.984 190 R CB -0.170 30.140 30.300 0.017 0.000 0.884 190 R HN 0.046 nan 8.270 nan 0.000 0.447 191 L N 2.316 123.589 121.223 0.084 0.000 2.563 191 L HA 0.191 4.531 4.340 0.001 0.000 0.259 191 L C -1.317 175.655 176.870 0.169 0.000 1.034 191 L CA -0.795 54.128 54.840 0.139 0.000 0.899 191 L CB 1.080 43.251 42.059 0.187 0.000 1.159 191 L HN 0.008 nan 8.230 nan 0.000 0.456 192 D N 2.686 123.164 120.400 0.130 0.000 2.371 192 D HA 0.308 4.948 4.640 0.001 0.000 0.242 192 D C 1.317 177.697 176.300 0.134 0.000 1.218 192 D CA 0.232 54.299 54.000 0.111 0.000 0.945 192 D CB 1.003 41.847 40.800 0.073 0.000 1.137 192 D HN 0.451 nan 8.370 nan 0.000 0.464 193 A N 1.028 123.894 122.820 0.075 0.000 1.896 193 A HA -0.329 3.992 4.320 0.001 0.000 0.220 193 A C 2.206 179.863 177.584 0.122 0.000 1.206 193 A CA 2.594 54.667 52.037 0.061 0.000 0.647 193 A CB -0.911 18.084 19.000 -0.009 0.000 0.828 193 A HN 0.726 nan 8.150 nan 0.000 0.455 194 R N -0.546 120.006 120.500 0.086 0.000 2.096 194 R HA -0.208 4.132 4.340 0.001 0.000 0.240 194 R C 2.302 178.657 176.300 0.091 0.000 1.139 194 R CA 2.045 58.190 56.100 0.076 0.000 0.952 194 R CB -0.317 30.016 30.300 0.055 0.000 0.854 194 R HN 0.742 nan 8.270 nan 0.000 0.436 195 Q N -1.028 118.840 119.800 0.113 0.000 2.378 195 Q HA -0.124 4.216 4.340 0.001 0.000 0.205 195 Q C 1.715 177.804 176.000 0.148 0.000 0.954 195 Q CA 0.881 56.749 55.803 0.108 0.000 0.901 195 Q CB 0.039 28.839 28.738 0.103 0.000 0.981 195 Q HN 0.365 nan 8.270 nan 0.000 0.483 196 F N 1.288 121.275 119.950 0.062 0.000 2.118 196 F HA -0.013 4.515 4.527 0.001 0.000 0.293 196 F C 2.205 178.036 175.800 0.052 0.000 1.102 196 F CA 1.149 59.200 58.000 0.083 0.000 1.247 196 F CB -0.193 38.877 39.000 0.115 0.000 1.017 196 F HN -0.020 nan 8.300 nan 0.000 0.475 197 A N -0.150 122.741 122.820 0.117 0.000 2.139 197 A HA -0.274 4.046 4.320 0.001 0.000 0.221 197 A C 2.126 179.671 177.584 -0.066 0.000 1.159 197 A CA 1.903 53.933 52.037 -0.011 0.000 0.662 197 A CB -0.968 18.053 19.000 0.036 0.000 0.796 197 A HN 0.680 nan 8.150 nan 0.000 0.463 198 Q N -0.687 119.087 119.800 -0.043 0.000 2.096 198 Q HA 0.012 4.352 4.340 0.001 0.000 0.197 198 Q C 1.858 177.815 176.000 -0.072 0.000 0.964 198 Q CA 1.046 56.829 55.803 -0.033 0.000 0.838 198 Q CB -0.127 28.613 28.738 0.003 0.000 0.906 198 Q HN 0.711 nan 8.270 nan 0.000 0.444 199 L N 0.292 121.431 121.223 -0.139 0.000 2.217 199 L HA -0.115 4.225 4.340 0.001 0.000 0.211 199 L C 2.230 178.988 176.870 -0.187 0.000 1.107 199 L CA 0.350 55.098 54.840 -0.154 0.000 0.783 199 L CB -0.238 41.716 42.059 -0.174 0.000 0.919 199 L HN 0.293 nan 8.230 nan 0.000 0.442 200 L N -0.097 120.958 121.223 -0.279 0.000 1.994 200 L HA -0.220 4.121 4.340 0.001 0.000 0.208 200 L C 2.944 179.810 176.870 -0.007 0.000 1.071 200 L CA 1.322 56.073 54.840 -0.148 0.000 0.745 200 L CB -0.622 41.346 42.059 -0.151 0.000 0.892 200 L HN 0.262 nan 8.230 nan 0.000 0.431 201 A N 0.391 123.203 122.820 -0.013 0.000 1.873 201 A HA -0.285 4.035 4.320 0.001 0.000 0.218 201 A C 2.234 179.830 177.584 0.019 0.000 1.193 201 A CA 2.198 54.250 52.037 0.025 0.000 0.629 201 A CB -0.526 18.481 19.000 0.011 0.000 0.826 201 A HN 0.381 nan 8.150 nan 0.000 0.447 202 K N -1.089 119.310 120.400 -0.003 0.000 2.211 202 K HA -0.069 4.251 4.320 0.001 0.000 0.204 202 K C 1.965 178.564 176.600 -0.002 0.000 1.047 202 K CA 1.636 57.923 56.287 0.000 0.000 0.935 202 K CB -0.245 32.252 32.500 -0.005 0.000 0.728 202 K HN 0.559 nan 8.250 nan 0.000 0.452 203 M N 0.092 119.686 119.600 -0.010 0.000 2.447 203 M HA -0.050 4.431 4.480 0.001 0.000 0.266 203 M C 1.611 177.901 176.300 -0.016 0.000 1.120 203 M CA 1.158 56.443 55.300 -0.026 0.000 1.166 203 M CB 0.094 32.666 32.600 -0.046 0.000 1.349 203 M HN 0.082 nan 8.290 nan 0.000 0.463 204 E N 0.624 120.860 120.200 0.058 0.000 2.204 204 E HA -0.151 4.199 4.350 0.001 0.000 0.195 204 E C 2.000 178.630 176.600 0.049 0.000 0.990 204 E CA 1.555 58.024 56.400 0.116 0.000 0.821 204 E CB -0.228 29.619 29.700 0.246 0.000 0.750 204 E HN 0.506 nan 8.360 nan 0.000 0.477 205 S N 0.815 116.532 115.700 0.030 0.000 2.383 205 S HA -0.250 4.221 4.470 0.001 0.000 0.229 205 S C 2.265 176.863 174.600 -0.003 0.000 1.030 205 S CA 1.261 59.470 58.200 0.015 0.000 1.002 205 S CB -0.694 62.515 63.200 0.015 0.000 0.829 205 S HN 0.496 nan 8.310 nan 0.000 0.467 206 C N 1.268 120.557 119.300 -0.019 0.000 2.446 206 C HA 0.369 4.830 4.460 0.001 0.000 0.279 206 C C 1.261 176.228 174.990 -0.039 0.000 1.366 206 C CA -0.679 58.315 59.018 -0.040 0.000 1.763 206 C CB -1.819 25.885 27.740 -0.060 0.000 1.929 206 C HN 0.657 nan 8.230 nan 0.000 0.509 207 L N 2.119 123.325 121.223 -0.028 0.000 2.640 207 L HA 0.067 4.407 4.340 0.001 0.000 0.280 207 L C -0.277 176.588 176.870 -0.009 0.000 1.229 207 L CA 0.834 55.682 54.840 0.012 0.000 0.919 207 L CB 0.083 42.158 42.059 0.026 0.000 1.168 207 L HN 0.344 nan 8.230 nan 0.000 0.496 208 I N 5.637 126.190 120.570 -0.029 0.000 2.623 208 I HA 0.174 4.344 4.170 0.001 0.000 0.275 208 I C -1.709 174.135 176.117 -0.455 0.000 1.108 208 I CA -1.473 59.720 61.300 -0.178 0.000 1.120 208 I CB 1.444 39.344 38.000 -0.166 0.000 1.249 208 I HN 0.380 nan 8.210 nan 0.000 0.500 209 P HA -0.229 nan 4.420 nan 0.000 0.216 209 P C 1.712 178.448 177.300 -0.939 0.000 1.153 209 P CA 1.365 63.773 63.100 -1.152 0.000 0.858 209 P CB 0.335 31.670 31.700 -0.608 0.000 0.789 210 A N 0.226 122.704 122.820 -0.569 0.000 2.032 210 A HA -0.215 4.105 4.320 0.001 0.000 0.221 210 A C 2.302 179.543 177.584 -0.571 0.000 1.165 210 A CA 2.099 53.844 52.037 -0.487 0.000 0.645 210 A CB -1.649 17.210 19.000 -0.236 0.000 0.807 210 A HN 0.219 nan 8.150 nan 0.000 0.453 211 A N -0.531 121.972 122.820 -0.528 0.000 2.093 211 A HA -0.082 4.238 4.320 0.001 0.000 0.222 211 A C 2.108 179.446 177.584 -0.410 0.000 1.162 211 A CA 1.830 53.613 52.037 -0.424 0.000 0.655 211 A CB -0.914 17.918 19.000 -0.280 0.000 0.805 211 A HN 0.491 nan 8.150 nan 0.000 0.461 212 V N -1.620 117.920 119.914 -0.623 0.000 2.490 212 V HA -0.257 3.863 4.120 0.001 0.000 0.250 212 V C 2.054 177.898 176.094 -0.416 0.000 1.061 212 V CA 2.165 64.120 62.300 -0.575 0.000 1.064 212 V CB -0.897 30.389 31.823 -0.895 0.000 0.670 212 V HN 0.715 nan 8.190 nan 0.000 0.461 213 F N -1.793 118.059 119.950 -0.164 0.000 2.653 213 F HA 0.337 4.864 4.527 0.001 0.000 0.288 213 F C 0.750 176.467 175.800 -0.137 0.000 1.121 213 F CA -0.169 57.755 58.000 -0.127 0.000 1.384 213 F CB 0.311 39.232 39.000 -0.131 0.000 1.115 213 F HN 0.022 nan 8.300 nan 0.000 0.599 214 L N 1.919 123.041 121.223 -0.168 0.000 2.784 214 L HA 0.334 4.674 4.340 0.001 0.000 0.241 214 L C -1.713 174.715 176.870 -0.736 0.000 1.352 214 L CA -1.573 52.977 54.840 -0.483 0.000 0.911 214 L CB -0.017 41.634 42.059 -0.680 0.000 1.227 214 L HN -0.258 nan 8.230 nan 0.000 0.501 215 P HA -0.253 nan 4.420 nan 0.000 0.217 215 P C 1.565 178.756 177.300 -0.182 0.000 1.151 215 P CA 1.696 64.676 63.100 -0.199 0.000 0.849 215 P CB -0.190 31.496 31.700 -0.024 0.000 0.787 216 W N -0.121 121.180 121.300 0.002 0.000 2.387 216 W HA -0.085 4.576 4.660 0.001 0.000 0.272 216 W C 1.687 178.200 176.519 -0.009 0.000 1.224 216 W CA 0.227 57.571 57.345 -0.001 0.000 1.210 216 W CB -1.924 27.537 29.460 0.002 0.000 1.125 216 W HN -0.061 nan 8.180 nan 0.000 0.572 217 I N 1.505 121.788 120.570 -0.478 0.000 2.151 217 I HA -0.361 3.810 4.170 0.001 0.000 0.243 217 I C 2.693 178.742 176.117 -0.113 0.000 1.080 217 I CA 1.726 62.815 61.300 -0.352 0.000 1.339 217 I CB -0.696 36.970 38.000 -0.556 0.000 1.039 217 I HN -0.045 nan 8.210 nan 0.000 0.409 218 L N 0.208 121.359 121.223 -0.121 0.000 2.131 218 L HA -0.199 4.142 4.340 0.001 0.000 0.210 218 L C 2.202 179.059 176.870 -0.022 0.000 1.092 218 L CA 1.125 55.923 54.840 -0.070 0.000 0.759 218 L CB -0.517 41.507 42.059 -0.058 0.000 0.903 218 L HN 0.109 nan 8.230 nan 0.000 0.435 219 K N 0.062 120.483 120.400 0.036 0.000 2.504 219 K HA 0.104 4.425 4.320 0.001 0.000 0.195 219 K C 0.285 176.930 176.600 0.076 0.000 1.036 219 K CA 0.422 56.749 56.287 0.066 0.000 0.984 219 K CB -0.240 32.329 32.500 0.115 0.000 0.788 219 K HN 0.177 nan 8.250 nan 0.000 0.488 220 L N 2.595 123.867 121.223 0.081 0.000 2.312 220 L HA 0.251 4.591 4.340 0.001 0.000 0.281 220 L C -1.979 174.915 176.870 0.041 0.000 1.070 220 L CA -2.176 52.720 54.840 0.092 0.000 0.805 220 L CB 0.879 43.024 42.059 0.144 0.000 1.174 220 L HN -0.081 nan 8.230 nan 0.000 0.434 221 P HA 0.125 nan 4.420 nan 0.000 0.263 221 P C -1.002 176.378 177.300 0.134 0.000 1.345 221 P CA 0.349 63.520 63.100 0.118 0.000 1.119 221 P CB 0.018 31.817 31.700 0.166 0.000 1.363 222 L N 6.229 127.463 121.223 0.018 0.000 2.365 222 L HA 0.364 4.705 4.340 0.001 0.000 0.273 222 L C -1.094 175.837 176.870 0.102 0.000 1.000 222 L CA -2.627 52.247 54.840 0.057 0.000 0.819 222 L CB 2.454 44.503 42.059 -0.018 0.000 1.284 222 L HN -0.018 nan 8.230 nan 0.000 0.418 223 P HA -0.225 nan 4.420 nan 0.000 0.214 223 P C 0.939 178.380 177.300 0.235 0.000 1.163 223 P CA 1.460 64.798 63.100 0.397 0.000 0.889 223 P CB 0.305 32.116 31.700 0.184 0.000 0.790 224 Q N 0.347 120.193 119.800 0.078 0.000 2.118 224 Q HA -0.173 4.167 4.340 0.001 0.000 0.211 224 Q C 2.452 178.429 176.000 -0.039 0.000 0.998 224 Q CA 2.397 58.211 55.803 0.018 0.000 0.872 224 Q CB -1.611 27.121 28.738 -0.011 0.000 0.925 224 Q HN 0.243 nan 8.270 nan 0.000 0.414 225 S N -0.312 115.290 115.700 -0.163 0.000 2.374 225 S HA -0.186 4.284 4.470 0.001 0.000 0.227 225 S C 1.700 176.145 174.600 -0.259 0.000 1.037 225 S CA 1.588 59.621 58.200 -0.279 0.000 1.024 225 S CB -0.436 62.491 63.200 -0.455 0.000 0.861 225 S HN 0.438 nan 8.310 nan 0.000 0.456 226 Y N 1.501 121.803 120.300 0.003 0.000 2.220 226 Y HA 0.050 4.601 4.550 0.001 0.000 0.291 226 Y C 2.582 178.483 175.900 0.002 0.000 1.129 226 Y CA 0.382 58.484 58.100 0.004 0.000 1.161 226 Y CB -0.430 38.033 38.460 0.006 0.000 0.997 226 Y HN 0.026 nan 8.280 nan 0.000 0.522 227 R N -0.107 120.484 120.500 0.151 0.000 2.122 227 R HA -0.272 4.069 4.340 0.001 0.000 0.236 227 R C 2.518 178.843 176.300 0.041 0.000 1.129 227 R CA 1.760 57.908 56.100 0.080 0.000 0.925 227 R CB -1.524 28.809 30.300 0.056 0.000 0.850 227 R HN 0.445 nan 8.270 nan 0.000 0.431 228 C N 1.033 120.338 119.300 0.009 0.000 2.367 228 C HA -0.185 4.276 4.460 0.001 0.000 0.276 228 C C 2.992 177.981 174.990 -0.002 0.000 1.195 228 C CA 1.431 60.440 59.018 -0.015 0.000 1.756 228 C CB -0.992 26.718 27.740 -0.049 0.000 2.046 228 C HN 0.536 nan 8.230 nan 0.000 0.453 229 R N 0.162 120.668 120.500 0.009 0.000 2.103 229 R HA -0.205 4.136 4.340 0.001 0.000 0.242 229 R C 1.883 178.208 176.300 0.041 0.000 1.142 229 R CA 2.646 58.763 56.100 0.029 0.000 0.960 229 R CB -0.718 29.607 30.300 0.041 0.000 0.858 229 R HN 0.638 nan 8.270 nan 0.000 0.439 230 D N -0.409 120.020 120.400 0.049 0.000 2.162 230 D HA -0.003 4.638 4.640 0.001 0.000 0.203 230 D C 1.757 178.076 176.300 0.031 0.000 0.967 230 D CA 1.372 55.399 54.000 0.045 0.000 0.840 230 D CB -0.008 40.823 40.800 0.051 0.000 0.972 230 D HN 0.386 nan 8.370 nan 0.000 0.482 231 A N 0.523 123.355 122.820 0.020 0.000 1.877 231 A HA -0.176 4.144 4.320 0.001 0.000 0.216 231 A C 2.283 179.870 177.584 0.006 0.000 1.186 231 A CA 1.635 53.675 52.037 0.005 0.000 0.620 231 A CB -0.635 18.359 19.000 -0.011 0.000 0.822 231 A HN 0.201 nan 8.150 nan 0.000 0.443 232 R N -0.493 120.012 120.500 0.008 0.000 2.096 232 R HA -0.112 4.228 4.340 0.001 0.000 0.235 232 R C 2.253 178.576 176.300 0.038 0.000 1.127 232 R CA 1.347 57.457 56.100 0.017 0.000 0.968 232 R CB -0.367 29.941 30.300 0.014 0.000 0.861 232 R HN 0.467 nan 8.270 nan 0.000 0.440 233 A N 0.511 123.357 122.820 0.043 0.000 1.972 233 A HA -0.192 4.128 4.320 0.001 0.000 0.219 233 A C 1.950 179.561 177.584 0.044 0.000 1.169 233 A CA 1.504 53.572 52.037 0.051 0.000 0.635 233 A CB -0.407 18.623 19.000 0.049 0.000 0.810 233 A HN 0.549 nan 8.150 nan 0.000 0.446 234 E N -0.699 119.523 120.200 0.037 0.000 2.107 234 E HA -0.144 4.206 4.350 0.001 0.000 0.191 234 E C 1.858 178.486 176.600 0.045 0.000 0.982 234 E CA 1.036 57.458 56.400 0.036 0.000 0.809 234 E CB -0.133 29.585 29.700 0.030 0.000 0.756 234 E HN 0.449 nan 8.360 nan 0.000 0.459 235 L N 1.288 122.542 121.223 0.051 0.000 2.093 235 L HA -0.159 4.181 4.340 0.001 0.000 0.208 235 L C 2.342 179.250 176.870 0.063 0.000 1.085 235 L CA 1.754 56.640 54.840 0.077 0.000 0.755 235 L CB -0.552 41.565 42.059 0.096 0.000 0.904 235 L HN 0.123 nan 8.230 nan 0.000 0.435 236 Q N -0.190 119.643 119.800 0.054 0.000 2.061 236 Q HA -0.244 4.097 4.340 0.001 0.000 0.204 236 Q C 1.743 177.767 176.000 0.040 0.000 0.984 236 Q CA 2.410 58.244 55.803 0.052 0.000 0.846 236 Q CB -0.234 28.544 28.738 0.068 0.000 0.902 236 Q HN 0.560 nan 8.270 nan 0.000 0.421 237 D N -0.675 119.748 120.400 0.038 0.000 2.224 237 D HA -0.039 4.601 4.640 0.001 0.000 0.205 237 D C 1.598 177.910 176.300 0.020 0.000 0.965 237 D CA 0.787 54.804 54.000 0.028 0.000 0.852 237 D CB 0.044 40.861 40.800 0.028 0.000 0.947 237 D HN 0.335 nan 8.370 nan 0.000 0.494 238 I N 0.142 120.727 120.570 0.024 0.000 2.233 238 I HA -0.188 3.982 4.170 0.001 0.000 0.243 238 I C 2.152 178.264 176.117 -0.007 0.000 1.093 238 I CA 0.612 61.921 61.300 0.015 0.000 1.380 238 I CB -0.071 37.948 38.000 0.032 0.000 1.067 238 I HN 0.036 nan 8.210 nan 0.000 0.413 239 L N 0.493 121.710 121.223 -0.009 0.000 1.989 239 L HA -0.250 4.090 4.340 0.001 0.000 0.211 239 L C 2.905 179.757 176.870 -0.030 0.000 1.071 239 L CA 2.058 56.876 54.840 -0.037 0.000 0.749 239 L CB -0.839 41.203 42.059 -0.029 0.000 0.890 239 L HN 0.381 nan 8.230 nan 0.000 0.431 240 S N -0.557 115.138 115.700 -0.009 0.000 2.353 240 S HA -0.251 4.219 4.470 0.001 0.000 0.222 240 S C 1.721 176.314 174.600 -0.010 0.000 1.035 240 S CA 1.365 59.562 58.200 -0.006 0.000 1.025 240 S CB -0.590 62.615 63.200 0.009 0.000 0.902 240 S HN 0.415 nan 8.310 nan 0.000 0.440 241 E N 0.742 120.939 120.200 -0.006 0.000 2.068 241 E HA -0.165 4.186 4.350 0.001 0.000 0.207 241 E C 2.106 178.696 176.600 -0.017 0.000 1.032 241 E CA 1.655 58.051 56.400 -0.007 0.000 0.839 241 E CB -0.317 29.382 29.700 -0.002 0.000 0.758 241 E HN 0.415 nan 8.360 nan 0.000 0.457 242 I N 1.009 121.563 120.570 -0.027 0.000 2.163 242 I HA -0.275 3.896 4.170 0.001 0.000 0.243 242 I C 2.373 178.465 176.117 -0.041 0.000 1.085 242 I CA 1.290 62.566 61.300 -0.041 0.000 1.347 242 I CB -0.854 37.106 38.000 -0.067 0.000 1.044 242 I HN 0.201 nan 8.210 nan 0.000 0.408 243 I N 1.272 121.817 120.570 -0.041 0.000 2.052 243 I HA -0.333 3.837 4.170 0.001 0.000 0.235 243 I C 2.552 178.650 176.117 -0.031 0.000 1.046 243 I CA 1.522 62.798 61.300 -0.040 0.000 1.308 243 I CB -0.598 37.380 38.000 -0.035 0.000 1.031 243 I HN 0.116 nan 8.210 nan 0.000 0.395 244 I N 1.268 121.824 120.570 -0.023 0.000 2.248 244 I HA -0.289 3.881 4.170 0.001 0.000 0.248 244 I C 2.770 178.875 176.117 -0.019 0.000 1.107 244 I CA 2.028 63.317 61.300 -0.018 0.000 1.373 244 I CB -2.186 35.807 38.000 -0.012 0.000 1.055 244 I HN 0.224 nan 8.210 nan 0.000 0.418 245 A N 1.470 124.278 122.820 -0.019 0.000 1.940 245 A HA -0.195 4.125 4.320 0.001 0.000 0.219 245 A C 2.509 180.080 177.584 -0.022 0.000 1.176 245 A CA 1.592 53.618 52.037 -0.018 0.000 0.631 245 A CB -0.662 18.327 19.000 -0.018 0.000 0.814 245 A HN 0.440 nan 8.150 nan 0.000 0.446 246 R N -0.464 120.019 120.500 -0.028 0.000 2.096 246 R HA -0.120 4.220 4.340 0.001 0.000 0.235 246 R C 2.075 178.359 176.300 -0.028 0.000 1.127 246 R CA 1.520 57.601 56.100 -0.031 0.000 0.968 246 R CB -0.278 29.998 30.300 -0.040 0.000 0.861 246 R HN 0.702 nan 8.270 nan 0.000 0.440 247 E N 0.619 120.803 120.200 -0.026 0.000 2.047 247 E HA -0.156 4.194 4.350 0.001 0.000 0.191 247 E C 1.922 178.511 176.600 -0.019 0.000 0.987 247 E CA 1.020 57.406 56.400 -0.023 0.000 0.799 247 E CB 0.057 29.744 29.700 -0.022 0.000 0.752 247 E HN 0.274 nan 8.360 nan 0.000 0.449 248 K N 0.969 121.359 120.400 -0.017 0.000 2.032 248 K HA -0.200 4.120 4.320 0.001 0.000 0.209 248 K C 2.226 178.817 176.600 -0.014 0.000 1.048 248 K CA 1.676 57.954 56.287 -0.014 0.000 0.927 248 K CB -0.169 32.324 32.500 -0.012 0.000 0.712 248 K HN 0.267 nan 8.250 nan 0.000 0.441 249 E N 1.052 121.243 120.200 -0.016 0.000 2.358 249 E HA -0.181 4.170 4.350 0.001 0.000 0.195 249 E C 1.663 178.252 176.600 -0.018 0.000 1.010 249 E CA 0.685 57.075 56.400 -0.016 0.000 0.856 249 E CB -0.005 29.685 29.700 -0.017 0.000 0.795 249 E HN 0.326 nan 8.360 nan 0.000 0.504 250 E N 0.854 121.042 120.200 -0.020 0.000 2.409 250 E HA -0.141 4.209 4.350 0.001 0.000 0.198 250 E C 1.824 178.413 176.600 -0.019 0.000 1.024 250 E CA 0.711 57.098 56.400 -0.022 0.000 0.861 250 E CB -0.062 29.623 29.700 -0.025 0.000 0.788 250 E HN 0.424 nan 8.360 nan 0.000 0.521 251 A N 1.331 124.141 122.820 -0.016 0.000 1.908 251 A HA -0.258 4.063 4.320 0.001 0.000 0.218 251 A C 2.195 179.770 177.584 -0.014 0.000 1.181 251 A CA 1.630 53.658 52.037 -0.015 0.000 0.627 251 A CB -0.590 18.402 19.000 -0.012 0.000 0.818 251 A HN 0.373 nan 8.150 nan 0.000 0.445 252 Q N -0.236 119.556 119.800 -0.014 0.000 2.050 252 Q HA -0.226 4.115 4.340 0.001 0.000 0.202 252 Q C 0.760 176.752 176.000 -0.014 0.000 0.980 252 Q CA 2.286 58.081 55.803 -0.013 0.000 0.840 252 Q CB -0.237 28.494 28.738 -0.012 0.000 0.898 252 Q HN 0.432 nan 8.270 nan 0.000 0.424 253 K N 1.192 121.582 120.400 -0.016 0.000 3.035 253 K HA -0.188 4.132 4.320 0.001 0.000 0.262 253 K C -0.471 176.118 176.600 -0.017 0.000 1.024 253 K CA 1.190 57.466 56.287 -0.018 0.000 0.748 253 K CB -1.603 30.886 32.500 -0.019 0.000 1.247 253 K HN 0.451 nan 8.250 nan 0.000 0.482 254 D N -0.650 119.741 120.400 -0.015 0.000 2.440 254 D HA 0.226 4.867 4.640 0.001 0.000 0.216 254 D C -0.263 176.029 176.300 -0.014 0.000 1.150 254 D CA 1.069 55.061 54.000 -0.014 0.000 0.832 254 D CB 0.552 41.345 40.800 -0.012 0.000 0.992 254 D HN 0.468 nan 8.370 nan 0.000 0.502 258 S N 4.082 119.774 115.700 -0.013 0.000 2.673 258 S HA 0.253 4.724 4.470 0.001 0.000 0.308 258 S C 0.781 175.380 174.600 -0.003 0.000 1.246 258 S CA 0.101 58.288 58.200 -0.022 0.000 1.077 258 S CB -0.080 63.097 63.200 -0.039 0.000 0.814 258 S HN 0.910 nan 8.310 nan 0.000 0.503 259 D N 2.145 122.540 120.400 -0.009 0.000 2.539 259 D HA 0.189 4.829 4.640 0.001 0.000 0.276 259 D C 1.208 177.506 176.300 -0.004 0.000 1.206 259 D CA -0.913 53.096 54.000 0.014 0.000 1.081 259 D CB -0.005 40.797 40.800 0.002 0.000 1.142 259 D HN 0.287 nan 8.370 nan 0.000 0.595 260 L N -0.462 120.773 121.223 0.020 0.000 2.017 260 L HA -0.046 4.294 4.340 0.001 0.000 0.208 260 L C 2.215 179.058 176.870 -0.044 0.000 1.073 260 L CA 1.432 56.273 54.840 0.003 0.000 0.745 260 L CB -1.165 40.929 42.059 0.059 0.000 0.894 260 L HN 0.545 nan 8.230 nan 0.000 0.432 261 L N -0.110 121.063 121.223 -0.083 0.000 2.043 261 L HA -0.171 4.170 4.340 0.001 0.000 0.212 261 L C 2.429 179.242 176.870 -0.096 0.000 1.075 261 L CA 2.201 56.974 54.840 -0.112 0.000 0.752 261 L CB -0.993 40.962 42.059 -0.174 0.000 0.891 261 L HN 0.297 nan 8.230 nan 0.000 0.432 262 A N -0.656 122.112 122.820 -0.086 0.000 1.898 262 A HA 0.008 4.328 4.320 0.001 0.000 0.216 262 A C 2.340 179.868 177.584 -0.093 0.000 1.181 262 A CA 1.347 53.335 52.037 -0.082 0.000 0.620 262 A CB -1.547 17.413 19.000 -0.067 0.000 0.819 262 A HN 0.531 nan 8.150 nan 0.000 0.442 263 G N 0.103 108.850 108.800 -0.088 0.000 2.459 263 G HA2 -0.200 3.760 3.960 0.001 0.000 0.217 263 G HA3 -0.200 3.760 3.960 0.001 0.000 0.217 263 G C 1.569 176.382 174.900 -0.145 0.000 1.183 263 G CA 1.110 46.148 45.100 -0.105 0.000 0.776 263 G HN 0.420 nan 8.290 nan 0.000 0.552 264 L N 0.006 121.150 121.223 -0.132 0.000 2.012 264 L HA -0.050 4.290 4.340 0.001 0.000 0.210 264 L C 2.859 179.594 176.870 -0.224 0.000 1.073 264 L CA 0.679 55.415 54.840 -0.174 0.000 0.748 264 L CB -0.524 41.473 42.059 -0.103 0.000 0.891 264 L HN 0.158 nan 8.230 nan 0.000 0.431 265 L N -0.195 120.932 121.223 -0.160 0.000 2.447 265 L HA -0.158 4.182 4.340 0.001 0.000 0.225 265 L C 2.210 178.974 176.870 -0.177 0.000 1.148 265 L CA 0.956 55.708 54.840 -0.147 0.000 0.808 265 L CB -0.737 41.260 42.059 -0.103 0.000 0.928 265 L HN 0.342 nan 8.230 nan 0.000 0.448 266 G N -0.873 107.802 108.800 -0.208 0.000 2.986 266 G HA2 0.264 4.225 3.960 0.001 0.000 0.213 266 G HA3 0.264 4.225 3.960 0.001 0.000 0.213 266 G C 0.667 175.379 174.900 -0.313 0.000 1.156 266 G CA 0.340 45.314 45.100 -0.210 0.000 0.763 266 G HN 0.321 nan 8.290 nan 0.000 0.547 267 A N 0.343 122.859 122.820 -0.507 0.000 2.450 267 A HA 0.563 4.884 4.320 0.001 0.000 0.255 267 A C -0.484 176.616 177.584 -0.807 0.000 1.096 267 A CA 0.021 51.500 52.037 -0.930 0.000 0.778 267 A CB 0.796 18.695 19.000 -1.834 0.000 1.031 267 A HN 0.259 nan 8.150 nan 0.000 0.494 268 V N 3.991 123.566 119.914 -0.565 0.000 2.444 268 V HA 0.249 4.370 4.120 0.001 0.000 0.294 268 V C -0.467 175.620 176.094 -0.011 0.000 1.022 268 V CA -0.496 61.659 62.300 -0.243 0.000 0.850 268 V CB 0.865 32.629 31.823 -0.098 0.000 0.992 268 V HN 0.847 nan 8.190 nan 0.000 0.426 269 Y N 2.939 123.333 120.300 0.157 0.000 2.394 269 Y HA 0.081 4.632 4.550 0.001 0.000 0.351 269 Y C 1.825 177.792 175.900 0.112 0.000 1.272 269 Y CA 0.176 58.408 58.100 0.219 0.000 1.508 269 Y CB 0.484 39.025 38.460 0.135 0.000 1.369 269 Y HN 0.496 nan 8.280 nan 0.000 0.639 270 R N 0.478 121.140 120.500 0.270 0.000 2.341 270 R HA -0.135 4.206 4.340 0.001 0.000 0.213 270 R C 0.526 176.887 176.300 0.102 0.000 1.082 270 R CA 1.287 57.466 56.100 0.133 0.000 1.017 270 R CB -0.247 30.100 30.300 0.078 0.000 0.860 270 R HN 0.711 nan 8.270 nan 0.000 0.473 271 D N -1.947 118.530 120.400 0.128 0.000 2.398 271 D HA 0.059 4.700 4.640 0.001 0.000 0.210 271 D C 1.010 177.357 176.300 0.077 0.000 1.094 271 D CA 0.644 54.688 54.000 0.074 0.000 0.839 271 D CB 0.549 41.370 40.800 0.035 0.000 0.963 271 D HN 0.107 nan 8.370 nan 0.000 0.506 272 G N 0.095 108.961 108.800 0.111 0.000 2.141 272 G HA2 -0.216 3.744 3.960 0.001 0.000 0.231 272 G HA3 -0.216 3.744 3.960 0.001 0.000 0.231 272 G C 0.366 175.317 174.900 0.086 0.000 0.984 272 G CA 0.381 45.528 45.100 0.078 0.000 0.660 272 G HN 0.780 nan 8.290 nan 0.000 0.525 273 T N -1.771 112.873 114.554 0.149 0.000 2.943 273 T HA 0.780 5.130 4.350 0.001 0.000 0.284 273 T C 0.183 175.017 174.700 0.223 0.000 1.015 273 T CA -0.773 61.421 62.100 0.156 0.000 1.042 273 T CB 2.282 71.230 68.868 0.133 0.000 1.055 273 T HN 0.381 nan 8.240 nan 0.000 0.500 274 R N 1.004 121.585 120.500 0.135 0.000 2.540 274 R HA 0.425 4.765 4.340 0.001 0.000 0.287 274 R C 0.375 176.765 176.300 0.151 0.000 0.980 274 R CA -0.851 55.280 56.100 0.052 0.000 0.966 274 R CB 1.274 31.557 30.300 -0.028 0.000 1.106 274 R HN 0.638 nan 8.270 nan 0.000 0.480 275 M N 1.684 121.314 119.600 0.051 0.000 2.245 275 M HA -0.060 4.420 4.480 0.001 0.000 0.335 275 M C 0.683 177.046 176.300 0.105 0.000 1.155 275 M CA 0.772 56.165 55.300 0.155 0.000 1.055 275 M CB 0.370 32.964 32.600 -0.010 0.000 1.670 275 M HN 0.650 nan 8.290 nan 0.000 0.447 276 S N 2.511 118.296 115.700 0.142 0.000 2.601 276 S HA 0.147 4.618 4.470 0.001 0.000 0.271 276 S C 0.709 175.365 174.600 0.094 0.000 1.305 276 S CA -0.804 57.460 58.200 0.107 0.000 1.022 276 S CB 1.305 64.580 63.200 0.125 0.000 0.940 276 S HN 0.796 nan 8.310 nan 0.000 0.525 277 Q N 0.475 120.318 119.800 0.072 0.000 2.242 277 Q HA -0.273 4.068 4.340 0.001 0.000 0.211 277 Q C 1.878 177.930 176.000 0.087 0.000 0.992 277 Q CA 2.084 57.922 55.803 0.058 0.000 0.889 277 Q CB -0.497 28.270 28.738 0.049 0.000 0.913 277 Q HN 0.908 nan 8.270 nan 0.000 0.422 278 H N 0.999 120.089 119.070 0.035 0.000 2.326 278 H HA -0.102 4.455 4.556 0.001 0.000 0.301 278 H C 1.519 176.881 175.328 0.057 0.000 1.081 278 H CA 1.618 57.692 56.048 0.044 0.000 1.334 278 H CB 0.345 30.131 29.762 0.041 0.000 1.385 278 H HN 0.366 nan 8.280 nan 0.000 0.504 279 E N 0.012 120.250 120.200 0.063 0.000 2.150 279 E HA -0.090 4.261 4.350 0.001 0.000 0.193 279 E C 2.494 179.094 176.600 0.001 0.000 0.985 279 E CA 0.908 57.326 56.400 0.029 0.000 0.814 279 E CB 0.219 30.010 29.700 0.151 0.000 0.752 279 E HN 0.238 nan 8.360 nan 0.000 0.466 280 V N 1.011 120.929 119.914 0.008 0.000 2.358 280 V HA -0.279 3.841 4.120 0.001 0.000 0.246 280 V C 2.470 178.560 176.094 -0.008 0.000 1.047 280 V CA 1.535 63.830 62.300 -0.009 0.000 1.035 280 V CB -0.284 31.526 31.823 -0.022 0.000 0.658 280 V HN 0.526 nan 8.190 nan 0.000 0.452 281 C N 0.921 120.211 119.300 -0.018 0.000 2.462 281 C HA -0.049 4.412 4.460 0.001 0.000 0.278 281 C C 3.027 178.025 174.990 0.014 0.000 1.253 281 C CA 0.973 59.992 59.018 0.001 0.000 1.713 281 C CB -1.486 26.248 27.740 -0.009 0.000 2.049 281 C HN 0.611 nan 8.230 nan 0.000 0.477 282 G N 0.535 109.297 108.800 -0.063 0.000 2.469 282 G HA2 -0.233 3.727 3.960 0.001 0.000 0.219 282 G HA3 -0.233 3.727 3.960 0.001 0.000 0.219 282 G C 1.524 176.474 174.900 0.082 0.000 1.150 282 G CA 1.312 46.408 45.100 -0.006 0.000 0.763 282 G HN 0.453 nan 8.290 nan 0.000 0.561 283 M N 0.173 119.793 119.600 0.033 0.000 2.254 283 M HA 0.195 4.675 4.480 0.001 0.000 0.265 283 M C 2.584 178.947 176.300 0.105 0.000 1.066 283 M CA 0.542 55.864 55.300 0.037 0.000 1.123 283 M CB -0.887 31.723 32.600 0.015 0.000 1.388 283 M HN 0.243 nan 8.290 nan 0.000 0.425 284 I N -0.694 119.949 120.570 0.121 0.000 2.252 284 I HA -0.224 3.947 4.170 0.001 0.000 0.245 284 I C 2.288 178.584 176.117 0.298 0.000 1.102 284 I CA 0.745 62.156 61.300 0.185 0.000 1.385 284 I CB -0.315 37.777 38.000 0.153 0.000 1.064 284 I HN -0.003 nan 8.210 nan 0.000 0.414 285 V N 1.032 121.124 119.914 0.297 0.000 2.358 285 V HA -0.265 3.855 4.120 0.001 0.000 0.246 285 V C 2.744 179.071 176.094 0.389 0.000 1.047 285 V CA 1.894 64.405 62.300 0.352 0.000 1.035 285 V CB -0.981 30.977 31.823 0.224 0.000 0.658 285 V HN 0.477 nan 8.190 nan 0.000 0.452 286 A N 0.120 123.175 122.820 0.391 0.000 1.908 286 A HA -0.187 4.134 4.320 0.001 0.000 0.218 286 A C 2.426 180.252 177.584 0.403 0.000 1.181 286 A CA 2.368 54.702 52.037 0.494 0.000 0.627 286 A CB -0.818 18.332 19.000 0.251 0.000 0.818 286 A HN 0.576 nan 8.150 nan 0.000 0.445 287 A N -0.882 122.114 122.820 0.293 0.000 1.855 287 A HA -0.099 4.222 4.320 0.001 0.000 0.215 287 A C 2.227 179.987 177.584 0.294 0.000 1.191 287 A CA 2.009 54.199 52.037 0.254 0.000 0.613 287 A CB -0.490 18.616 19.000 0.176 0.000 0.829 287 A HN 0.432 nan 8.150 nan 0.000 0.442 288 M N -1.595 118.202 119.600 0.328 0.000 2.086 288 M HA -0.056 4.424 4.480 0.001 0.000 0.261 288 M C 2.223 178.717 176.300 0.325 0.000 1.067 288 M CA 1.402 56.898 55.300 0.325 0.000 1.116 288 M CB -1.516 31.398 32.600 0.524 0.000 1.348 288 M HN 0.568 nan 8.290 nan 0.000 0.407 289 F N 1.287 121.389 119.950 0.253 0.000 2.126 289 F HA -0.193 4.334 4.527 0.001 0.000 0.299 289 F C 2.297 178.262 175.800 0.275 0.000 1.096 289 F CA 1.799 59.939 58.000 0.233 0.000 1.255 289 F CB -0.196 38.930 39.000 0.211 0.000 0.997 289 F HN 0.121 nan 8.300 nan 0.000 0.479 290 A N 0.342 123.483 122.820 0.535 0.000 1.858 290 A HA -0.058 4.262 4.320 0.001 0.000 0.216 290 A C 2.381 180.092 177.584 0.212 0.000 1.190 290 A CA 1.662 53.945 52.037 0.411 0.000 0.617 290 A CB -1.785 17.461 19.000 0.410 0.000 0.827 290 A HN 0.497 nan 8.150 nan 0.000 0.443 291 G N -1.572 107.350 108.800 0.204 0.000 2.650 291 G HA2 0.027 3.987 3.960 0.001 0.000 0.214 291 G HA3 0.027 3.987 3.960 0.001 0.000 0.214 291 G C 1.486 176.404 174.900 0.029 0.000 1.136 291 G CA 1.060 46.257 45.100 0.162 0.000 0.789 291 G HN 0.514 nan 8.290 nan 0.000 0.536 292 Q N 0.513 120.267 119.800 -0.077 0.000 2.008 292 Q HA -0.054 4.286 4.340 0.001 0.000 0.196 292 Q C 2.265 178.071 176.000 -0.322 0.000 0.973 292 Q CA 1.355 57.008 55.803 -0.251 0.000 0.826 292 Q CB -0.437 28.053 28.738 -0.412 0.000 0.894 292 Q HN 0.591 nan 8.270 nan 0.000 0.439 293 H N -0.481 118.473 119.070 -0.192 0.000 2.307 293 H HA -0.035 4.522 4.556 0.001 0.000 0.303 293 H C 2.145 177.415 175.328 -0.096 0.000 1.073 293 H CA 2.117 58.058 56.048 -0.178 0.000 1.338 293 H CB -0.778 28.819 29.762 -0.276 0.000 1.389 293 H HN 0.545 nan 8.280 nan 0.000 0.503 294 T N -0.749 113.842 114.554 0.062 0.000 2.720 294 T HA -0.135 4.216 4.350 0.001 0.000 0.268 294 T C 2.377 177.096 174.700 0.032 0.000 1.037 294 T CA 1.645 63.776 62.100 0.052 0.000 1.144 294 T CB -0.595 68.313 68.868 0.066 0.000 0.864 294 T HN 0.112 nan 8.240 nan 0.000 0.444 295 S N 1.484 117.187 115.700 0.005 0.000 2.368 295 S HA -0.110 4.360 4.470 0.001 0.000 0.225 295 S C 2.538 177.107 174.600 -0.052 0.000 1.030 295 S CA 1.841 60.023 58.200 -0.029 0.000 0.999 295 S CB -0.864 62.292 63.200 -0.073 0.000 0.844 295 S HN 0.930 nan 8.310 nan 0.000 0.459 296 T N 0.876 115.385 114.554 -0.075 0.000 2.812 296 T HA 0.070 4.420 4.350 0.001 0.000 0.264 296 T C 1.772 176.430 174.700 -0.070 0.000 1.042 296 T CA 0.843 62.884 62.100 -0.098 0.000 1.140 296 T CB -0.632 68.160 68.868 -0.126 0.000 0.870 296 T HN 0.319 nan 8.240 nan 0.000 0.445 297 I N 1.632 122.187 120.570 -0.026 0.000 2.151 297 I HA -0.205 3.966 4.170 0.001 0.000 0.243 297 I C 2.965 179.159 176.117 0.128 0.000 1.080 297 I CA 1.790 63.102 61.300 0.020 0.000 1.339 297 I CB -0.788 37.269 38.000 0.096 0.000 1.039 297 I HN 0.346 nan 8.210 nan 0.000 0.409 298 T N 0.025 114.654 114.554 0.125 0.000 2.643 298 T HA -0.180 4.170 4.350 0.001 0.000 0.264 298 T C 1.883 176.650 174.700 0.111 0.000 1.045 298 T CA 2.196 64.390 62.100 0.156 0.000 1.155 298 T CB -0.531 68.395 68.868 0.098 0.000 0.863 298 T HN 0.399 nan 8.240 nan 0.000 0.420 299 T N 1.920 116.485 114.554 0.018 0.000 2.699 299 T HA -0.156 4.195 4.350 0.001 0.000 0.268 299 T C 2.222 176.885 174.700 -0.061 0.000 1.036 299 T CA 1.820 63.900 62.100 -0.033 0.000 1.147 299 T CB -0.849 67.966 68.868 -0.088 0.000 0.862 299 T HN 0.405 nan 8.240 nan 0.000 0.446 300 T N 0.266 114.762 114.554 -0.095 0.000 2.668 300 T HA -0.081 4.269 4.350 0.001 0.000 0.262 300 T C 1.594 176.188 174.700 -0.178 0.000 1.045 300 T CA 1.109 63.092 62.100 -0.195 0.000 1.152 300 T CB -0.577 68.121 68.868 -0.282 0.000 0.864 300 T HN 0.504 nan 8.240 nan 0.000 0.419 301 W N 2.008 123.234 121.300 -0.123 0.000 2.298 301 W HA -0.278 4.382 4.660 0.001 0.000 0.328 301 W C 3.090 179.539 176.519 -0.118 0.000 1.259 301 W CA 1.642 58.914 57.345 -0.123 0.000 1.251 301 W CB -0.709 28.772 29.460 0.034 0.000 1.161 301 W HN 0.319 nan 8.180 nan 0.000 0.466 302 S N 0.447 116.295 115.700 0.247 0.000 2.378 302 S HA -0.333 4.137 4.470 0.001 0.000 0.229 302 S C 1.721 176.246 174.600 -0.125 0.000 1.052 302 S CA 1.821 60.064 58.200 0.071 0.000 1.084 302 S CB -1.288 61.983 63.200 0.120 0.000 0.950 302 S HN 0.334 nan 8.310 nan 0.000 0.440 303 L N 1.027 122.167 121.223 -0.138 0.000 2.012 303 L HA -0.121 4.220 4.340 0.001 0.000 0.210 303 L C 2.735 179.446 176.870 -0.265 0.000 1.073 303 L CA 1.466 56.167 54.840 -0.232 0.000 0.748 303 L CB -0.714 41.135 42.059 -0.350 0.000 0.891 303 L HN 0.325 nan 8.230 nan 0.000 0.431 304 L N -1.250 119.792 121.223 -0.302 0.000 2.042 304 L HA -0.267 4.073 4.340 0.001 0.000 0.210 304 L C 2.730 179.387 176.870 -0.356 0.000 1.076 304 L CA 1.205 55.843 54.840 -0.337 0.000 0.749 304 L CB -0.959 40.851 42.059 -0.415 0.000 0.893 304 L HN 0.396 nan 8.230 nan 0.000 0.432 305 H N -0.154 118.688 119.070 -0.379 0.000 2.423 305 H HA -0.069 4.488 4.556 0.001 0.000 0.297 305 H C 2.366 177.437 175.328 -0.427 0.000 1.075 305 H CA 1.186 56.874 56.048 -0.600 0.000 1.342 305 H CB -0.036 28.741 29.762 -1.642 0.000 1.395 305 H HN 0.356 nan 8.280 nan 0.000 0.530 306 L N 0.923 121.999 121.223 -0.244 0.000 2.291 306 L HA -0.097 4.244 4.340 0.001 0.000 0.214 306 L C 2.447 179.355 176.870 0.063 0.000 1.120 306 L CA 0.734 55.555 54.840 -0.032 0.000 0.799 306 L CB -0.175 41.886 42.059 0.003 0.000 0.925 306 L HN 0.293 nan 8.230 nan 0.000 0.446 307 M N -2.587 117.021 119.600 0.014 0.000 2.371 307 M HA 0.203 4.683 4.480 0.001 0.000 0.246 307 M C 0.239 176.571 176.300 0.053 0.000 1.103 307 M CA 0.089 55.434 55.300 0.074 0.000 1.010 307 M CB 0.093 32.745 32.600 0.087 0.000 1.457 307 M HN -0.107 nan 8.290 nan 0.000 0.486 308 D N 2.542 122.962 120.400 0.033 0.000 2.350 308 D HA 0.176 4.817 4.640 0.001 0.000 0.249 308 D C -1.814 174.538 176.300 0.086 0.000 1.119 308 D CA -1.528 52.502 54.000 0.050 0.000 0.886 308 D CB 1.708 42.540 40.800 0.052 0.000 1.195 308 D HN -0.050 nan 8.370 nan 0.000 0.437 309 P HA -0.159 nan 4.420 nan 0.000 0.215 309 P C 1.139 178.494 177.300 0.091 0.000 1.163 309 P CA 1.527 64.671 63.100 0.073 0.000 0.894 309 P CB 0.157 31.890 31.700 0.056 0.000 0.791 310 R N -1.026 119.537 120.500 0.106 0.000 2.170 310 R HA -0.092 4.248 4.340 0.001 0.000 0.242 310 R C 0.631 177.028 176.300 0.162 0.000 1.145 310 R CA 1.115 57.290 56.100 0.125 0.000 0.984 310 R CB -0.759 29.628 30.300 0.146 0.000 0.869 310 R HN 0.266 nan 8.270 nan 0.000 0.455 311 N N 0.774 119.602 118.700 0.213 0.000 2.451 311 N HA 0.053 4.794 4.740 0.001 0.000 0.264 311 N C 0.125 175.768 175.510 0.222 0.000 1.167 311 N CA 0.152 53.395 53.050 0.321 0.000 0.898 311 N CB 0.702 39.483 38.487 0.491 0.000 1.176 311 N HN 0.241 nan 8.380 nan 0.000 0.507 312 K N 0.797 121.269 120.400 0.121 0.000 2.057 312 K HA -0.120 4.201 4.320 0.001 0.000 0.207 312 K C 2.026 178.676 176.600 0.082 0.000 1.049 312 K CA 0.901 57.248 56.287 0.100 0.000 0.931 312 K CB 0.091 32.628 32.500 0.061 0.000 0.714 312 K HN 0.268 nan 8.250 nan 0.000 0.440 313 R N 1.156 121.648 120.500 -0.013 0.000 2.081 313 R HA -0.131 4.209 4.340 0.001 0.000 0.235 313 R C 1.705 178.010 176.300 0.009 0.000 1.131 313 R CA 1.530 57.590 56.100 -0.068 0.000 0.960 313 R CB -0.941 29.246 30.300 -0.188 0.000 0.856 313 R HN 0.365 nan 8.270 nan 0.000 0.436 314 H N 0.892 120.113 119.070 0.252 0.000 2.389 314 H HA -0.042 4.514 4.556 0.001 0.000 0.299 314 H C 2.139 177.727 175.328 0.432 0.000 1.081 314 H CA 1.357 57.656 56.048 0.418 0.000 1.345 314 H CB -0.178 29.939 29.762 0.593 0.000 1.393 314 H HN 0.154 nan 8.280 nan 0.000 0.520 315 L N 0.963 122.451 121.223 0.441 0.000 2.093 315 L HA 0.002 4.342 4.340 0.001 0.000 0.208 315 L C 2.470 179.561 176.870 0.370 0.000 1.085 315 L CA 1.548 56.617 54.840 0.382 0.000 0.755 315 L CB -0.706 41.544 42.059 0.318 0.000 0.904 315 L HN 0.162 nan 8.230 nan 0.000 0.435 316 A N -0.611 122.360 122.820 0.252 0.000 1.898 316 A HA -0.235 4.085 4.320 0.001 0.000 0.216 316 A C 2.448 180.116 177.584 0.141 0.000 1.181 316 A CA 1.810 53.955 52.037 0.179 0.000 0.620 316 A CB -0.559 18.491 19.000 0.084 0.000 0.819 316 A HN 0.473 nan 8.150 nan 0.000 0.442 317 K N -0.806 119.631 120.400 0.062 0.000 2.097 317 K HA -0.098 4.222 4.320 0.001 0.000 0.205 317 K C 1.866 178.459 176.600 -0.012 0.000 1.050 317 K CA 1.253 57.470 56.287 -0.117 0.000 0.938 317 K CB -0.231 31.980 32.500 -0.482 0.000 0.718 317 K HN 0.312 nan 8.250 nan 0.000 0.442 318 L N 1.136 122.508 121.223 0.248 0.000 2.017 318 L HA -0.148 4.192 4.340 0.001 0.000 0.208 318 L C 1.784 178.781 176.870 0.211 0.000 1.073 318 L CA 1.971 57.040 54.840 0.382 0.000 0.745 318 L CB -0.774 41.532 42.059 0.412 0.000 0.894 318 L HN 0.265 nan 8.230 nan 0.000 0.432 319 H N -0.950 118.235 119.070 0.192 0.000 2.319 319 H HA -0.178 4.379 4.556 0.001 0.000 0.299 319 H C 2.296 177.694 175.328 0.117 0.000 1.092 319 H CA 2.061 58.200 56.048 0.152 0.000 1.302 319 H CB 0.042 29.877 29.762 0.122 0.000 1.373 319 H HN 0.470 nan 8.280 nan 0.000 0.497 320 Q N 0.096 120.016 119.800 0.200 0.000 2.077 320 Q HA -0.263 4.077 4.340 0.001 0.000 0.206 320 Q C 2.284 178.335 176.000 0.085 0.000 0.989 320 Q CA 1.848 57.712 55.803 0.101 0.000 0.853 320 Q CB -0.105 28.656 28.738 0.038 0.000 0.907 320 Q HN 0.607 nan 8.270 nan 0.000 0.418 321 E N 0.637 120.910 120.200 0.121 0.000 2.153 321 E HA -0.192 4.158 4.350 0.001 0.000 0.194 321 E C 1.904 178.658 176.600 0.257 0.000 0.988 321 E CA 1.312 57.807 56.400 0.159 0.000 0.811 321 E CB -0.070 29.770 29.700 0.233 0.000 0.746 321 E HN 0.582 nan 8.360 nan 0.000 0.466 322 I N -2.557 118.186 120.570 0.288 0.000 3.035 322 I HA 0.063 4.233 4.170 0.001 0.000 0.271 322 I C 1.103 177.404 176.117 0.307 0.000 1.190 322 I CA 0.352 61.908 61.300 0.427 0.000 1.472 322 I CB -0.053 38.105 38.000 0.263 0.000 1.116 322 I HN -0.195 nan 8.210 nan 0.000 0.443 323 D N 1.908 122.420 120.400 0.186 0.000 2.265 323 D HA -0.216 4.424 4.640 0.001 0.000 0.208 323 D C 1.989 178.314 176.300 0.042 0.000 0.977 323 D CA 1.354 55.432 54.000 0.130 0.000 0.871 323 D CB -0.049 40.816 40.800 0.108 0.000 0.925 323 D HN 0.498 nan 8.370 nan 0.000 0.485 324 E N -0.709 119.442 120.200 -0.082 0.000 2.285 324 E HA -0.023 4.328 4.350 0.001 0.000 0.194 324 E C -0.099 176.350 176.600 -0.250 0.000 0.997 324 E CA 0.139 56.400 56.400 -0.232 0.000 0.845 324 E CB -0.067 29.385 29.700 -0.413 0.000 0.782 324 E HN 0.154 nan 8.360 nan 0.000 0.491 325 F N 1.255 121.234 119.950 0.048 0.000 2.399 325 F HA 0.323 4.850 4.527 0.001 0.000 0.342 325 F C -1.393 174.436 175.800 0.047 0.000 1.106 325 F CA -2.355 55.672 58.000 0.044 0.000 1.196 325 F CB 0.418 39.445 39.000 0.044 0.000 1.163 325 F HN -0.020 nan 8.300 nan 0.000 0.547 326 P HA 0.172 nan 4.420 nan 0.000 0.293 326 P C 0.156 177.541 177.300 0.141 0.000 1.298 326 P CA -0.213 62.977 63.100 0.150 0.000 0.757 326 P CB 0.436 32.211 31.700 0.125 0.000 1.262 327 A N -0.975 121.907 122.820 0.105 0.000 1.858 327 A HA -0.166 4.155 4.320 0.001 0.000 0.216 327 A C 1.016 178.652 177.584 0.087 0.000 1.190 327 A CA 1.460 53.552 52.037 0.092 0.000 0.617 327 A CB -1.060 17.985 19.000 0.076 0.000 0.827 327 A HN 0.606 nan 8.150 nan 0.000 0.443 328 Q N 0.175 120.025 119.800 0.084 0.000 2.360 328 Q HA 0.517 4.858 4.340 0.001 0.000 0.254 328 Q C -1.245 174.800 176.000 0.076 0.000 0.975 328 Q CA -0.307 55.541 55.803 0.076 0.000 0.912 328 Q CB 1.205 29.986 28.738 0.073 0.000 1.212 328 Q HN 0.486 nan 8.270 nan 0.000 0.452 329 L N 3.172 124.423 121.223 0.046 0.000 2.371 329 L HA 0.252 4.592 4.340 0.001 0.000 0.272 329 L C 0.330 177.217 176.870 0.027 0.000 1.124 329 L CA -0.567 54.275 54.840 0.003 0.000 0.816 329 L CB 0.433 42.432 42.059 -0.100 0.000 1.129 329 L HN 0.660 nan 8.230 nan 0.000 0.448 330 N N 0.598 119.318 118.700 0.034 0.000 2.483 330 N HA 0.064 4.804 4.740 0.001 0.000 0.285 330 N C 0.544 176.101 175.510 0.077 0.000 1.210 330 N CA -0.716 52.384 53.050 0.082 0.000 0.931 330 N CB 0.390 38.940 38.487 0.106 0.000 1.220 330 N HN 0.535 nan 8.380 nan 0.000 0.542 331 Y N 0.393 120.708 120.300 0.025 0.000 2.102 331 Y HA -0.286 4.264 4.550 0.001 0.000 0.280 331 Y C 1.077 176.980 175.900 0.005 0.000 1.178 331 Y CA 2.298 60.410 58.100 0.020 0.000 1.146 331 Y CB -0.408 38.083 38.460 0.052 0.000 0.968 331 Y HN 0.606 nan 8.280 nan 0.000 0.504 332 D N -0.239 120.133 120.400 -0.047 0.000 2.092 332 D HA -0.212 4.428 4.640 0.001 0.000 0.193 332 D C 1.817 178.037 176.300 -0.133 0.000 0.994 332 D CA 1.869 55.796 54.000 -0.121 0.000 0.828 332 D CB -0.720 40.106 40.800 0.044 0.000 0.963 332 D HN 0.598 nan 8.370 nan 0.000 0.450 333 N N -0.113 118.552 118.700 -0.060 0.000 2.049 333 N HA -0.177 4.564 4.740 0.001 0.000 0.198 333 N C 1.840 177.161 175.510 -0.315 0.000 1.030 333 N CA 1.360 54.344 53.050 -0.110 0.000 0.870 333 N CB -0.134 38.210 38.487 -0.237 0.000 1.045 333 N HN 0.020 nan 8.380 nan 0.000 0.434 334 V N 0.917 120.633 119.914 -0.331 0.000 2.379 334 V HA -0.147 3.973 4.120 0.001 0.000 0.245 334 V C 2.195 178.128 176.094 -0.269 0.000 1.044 334 V CA 1.262 63.374 62.300 -0.313 0.000 1.036 334 V CB -0.302 31.367 31.823 -0.257 0.000 0.664 334 V HN 0.328 nan 8.190 nan 0.000 0.453 335 M N -0.335 119.048 119.600 -0.362 0.000 2.115 335 M HA -0.042 4.439 4.480 0.001 0.000 0.261 335 M C 2.181 178.365 176.300 -0.192 0.000 1.079 335 M CA 1.737 56.829 55.300 -0.347 0.000 1.143 335 M CB -1.089 31.127 32.600 -0.639 0.000 1.332 335 M HN 0.267 nan 8.290 nan 0.000 0.421 336 E N 0.082 120.189 120.200 -0.156 0.000 2.190 336 E HA -0.030 4.320 4.350 0.001 0.000 0.191 336 E C 1.265 177.870 176.600 0.008 0.000 0.978 336 E CA 0.612 56.977 56.400 -0.057 0.000 0.839 336 E CB 0.176 29.857 29.700 -0.032 0.000 0.787 336 E HN 0.489 nan 8.360 nan 0.000 0.473 337 E N -0.475 119.754 120.200 0.049 0.000 2.476 337 E HA 0.194 4.544 4.350 0.001 0.000 0.196 337 E C -0.210 176.536 176.600 0.244 0.000 1.029 337 E CA -0.025 56.488 56.400 0.187 0.000 0.896 337 E CB 0.420 30.337 29.700 0.361 0.000 1.012 337 E HN 0.145 nan 8.360 nan 0.000 0.475 338 M N 1.564 121.217 119.600 0.088 0.000 2.854 338 M HA 0.186 4.666 4.480 0.001 0.000 0.203 338 M C -2.088 174.244 176.300 0.053 0.000 1.069 338 M CA -1.532 53.816 55.300 0.082 0.000 0.803 338 M CB 1.171 33.746 32.600 -0.041 0.000 1.380 338 M HN -0.102 nan 8.290 nan 0.000 0.494 339 P HA -0.091 nan 4.420 nan 0.000 0.219 339 P C 1.283 178.641 177.300 0.096 0.000 1.154 339 P CA 1.082 64.221 63.100 0.066 0.000 0.826 339 P CB 0.119 31.865 31.700 0.078 0.000 0.795 340 F N 1.516 121.472 119.950 0.010 0.000 2.206 340 F HA 0.106 4.634 4.527 0.001 0.000 0.298 340 F C 2.352 178.159 175.800 0.012 0.000 1.090 340 F CA 1.063 59.066 58.000 0.006 0.000 1.323 340 F CB -0.939 38.084 39.000 0.037 0.000 1.028 340 F HN -0.105 nan 8.300 nan 0.000 0.492 341 A N 0.158 122.984 122.820 0.010 0.000 1.892 341 A HA -0.314 4.006 4.320 0.001 0.000 0.218 341 A C 2.235 179.735 177.584 -0.139 0.000 1.188 341 A CA 2.137 54.130 52.037 -0.074 0.000 0.631 341 A CB -1.190 17.809 19.000 -0.001 0.000 0.822 341 A HN 0.555 nan 8.150 nan 0.000 0.447 342 E N -0.570 119.567 120.200 -0.105 0.000 2.077 342 E HA -0.266 4.084 4.350 0.001 0.000 0.193 342 E C 2.206 178.709 176.600 -0.161 0.000 0.989 342 E CA 1.461 57.797 56.400 -0.106 0.000 0.800 342 E CB -0.175 29.474 29.700 -0.086 0.000 0.746 342 E HN 0.768 nan 8.360 nan 0.000 0.452 343 Q N -0.393 119.268 119.800 -0.233 0.000 2.135 343 Q HA -0.197 4.143 4.340 0.001 0.000 0.204 343 Q C 2.426 178.164 176.000 -0.437 0.000 0.981 343 Q CA 1.718 57.329 55.803 -0.319 0.000 0.856 343 Q CB -0.129 28.426 28.738 -0.306 0.000 0.902 343 Q HN 0.437 nan 8.270 nan 0.000 0.425 344 C N 0.021 119.018 119.300 -0.505 0.000 2.462 344 C HA -0.111 4.350 4.460 0.001 0.000 0.278 344 C C 2.888 177.885 174.990 0.011 0.000 1.253 344 C CA 0.760 59.588 59.018 -0.316 0.000 1.713 344 C CB -1.240 26.437 27.740 -0.105 0.000 2.049 344 C HN 0.648 nan 8.230 nan 0.000 0.477 345 A N 0.353 123.175 122.820 0.002 0.000 1.902 345 A HA -0.234 4.086 4.320 0.001 0.000 0.217 345 A C 2.258 179.881 177.584 0.065 0.000 1.181 345 A CA 1.926 54.007 52.037 0.073 0.000 0.623 345 A CB -0.664 18.361 19.000 0.041 0.000 0.818 345 A HN 0.650 nan 8.150 nan 0.000 0.443 346 R N -0.571 119.922 120.500 -0.011 0.000 2.092 346 R HA -0.177 4.164 4.340 0.001 0.000 0.231 346 R C 2.120 178.379 176.300 -0.069 0.000 1.119 346 R CA 1.734 57.832 56.100 -0.002 0.000 0.970 346 R CB -0.159 30.062 30.300 -0.133 0.000 0.864 346 R HN 0.549 nan 8.270 nan 0.000 0.440 347 E N -0.067 120.005 120.200 -0.214 0.000 2.152 347 E HA -0.068 4.283 4.350 0.001 0.000 0.192 347 E C 1.516 177.995 176.600 -0.202 0.000 0.983 347 E CA 1.715 57.899 56.400 -0.360 0.000 0.818 347 E CB -0.003 29.224 29.700 -0.789 0.000 0.758 347 E HN 0.200 nan 8.360 nan 0.000 0.467 348 S N -0.204 115.557 115.700 0.100 0.000 2.423 348 S HA -0.003 4.467 4.470 0.001 0.000 0.231 348 S C 1.800 176.395 174.600 -0.008 0.000 1.014 348 S CA 1.008 59.348 58.200 0.234 0.000 0.965 348 S CB -0.176 63.252 63.200 0.380 0.000 0.785 348 S HN 0.328 nan 8.310 nan 0.000 0.495 349 I N 0.693 121.273 120.570 0.016 0.000 2.876 349 I HA 0.036 4.206 4.170 0.001 0.000 0.264 349 I C 2.622 178.689 176.117 -0.084 0.000 1.204 349 I CA 0.392 61.681 61.300 -0.019 0.000 1.485 349 I CB -0.148 37.867 38.000 0.026 0.000 1.103 349 I HN 0.103 nan 8.210 nan 0.000 0.446 350 R N 1.740 122.174 120.500 -0.110 0.000 2.073 350 R HA -0.080 4.261 4.340 0.001 0.000 0.229 350 R C 2.247 178.284 176.300 -0.440 0.000 1.120 350 R CA 1.450 57.277 56.100 -0.455 0.000 0.967 350 R CB -0.328 29.788 30.300 -0.307 0.000 0.862 350 R HN 0.282 nan 8.270 nan 0.000 0.436 351 R N 0.116 120.450 120.500 -0.278 0.000 2.055 351 R HA -0.054 4.287 4.340 0.001 0.000 0.228 351 R C -0.299 175.867 176.300 -0.223 0.000 1.143 351 R CA 1.639 57.599 56.100 -0.232 0.000 0.945 351 R CB 0.114 30.297 30.300 -0.196 0.000 0.841 351 R HN 0.061 nan 8.270 nan 0.000 0.429 352 D N 2.017 122.212 120.400 -0.342 0.000 2.456 352 D HA 0.220 4.861 4.640 0.001 0.000 0.287 352 D C -2.484 173.694 176.300 -0.204 0.000 1.186 352 D CA -1.541 52.243 54.000 -0.359 0.000 0.916 352 D CB 1.483 41.787 40.800 -0.827 0.000 1.029 352 D HN 0.236 nan 8.370 nan 0.000 0.498 353 P HA 0.095 nan 4.420 nan 0.000 0.266 353 P C -1.948 175.337 177.300 -0.026 0.000 1.215 353 P CA -0.991 62.089 63.100 -0.034 0.000 0.763 353 P CB 1.136 32.841 31.700 0.009 0.000 0.806 354 P HA -0.082 nan 4.420 nan 0.000 0.216 354 P C 0.381 177.688 177.300 0.011 0.000 1.150 354 P CA 1.444 64.555 63.100 0.018 0.000 0.837 354 P CB 0.124 31.838 31.700 0.023 0.000 0.786 355 L N -0.462 120.759 121.223 -0.004 0.000 2.287 355 L HA 0.152 4.492 4.340 0.001 0.000 0.280 355 L C 1.209 178.083 176.870 0.007 0.000 1.055 355 L CA -0.465 54.386 54.840 0.018 0.000 0.863 355 L CB 1.384 43.465 42.059 0.037 0.000 1.245 355 L HN -0.228 nan 8.230 nan 0.000 0.432 356 V N 3.283 123.218 119.914 0.035 0.000 2.871 356 V HA 0.066 4.187 4.120 0.001 0.000 0.256 356 V C 0.806 176.918 176.094 0.030 0.000 1.082 356 V CA 1.229 63.555 62.300 0.044 0.000 1.105 356 V CB -0.048 31.849 31.823 0.124 0.000 0.713 356 V HN 0.636 nan 8.190 nan 0.000 0.473 357 M N 0.781 120.408 119.600 0.045 0.000 2.122 357 M HA 0.390 4.871 4.480 0.001 0.000 0.269 357 M C -1.446 174.895 176.300 0.068 0.000 0.954 357 M CA 0.043 55.367 55.300 0.042 0.000 0.998 357 M CB 2.010 34.670 32.600 0.099 0.000 1.755 357 M HN 0.004 nan 8.290 nan 0.000 0.459 358 L N 4.318 125.559 121.223 0.029 0.000 2.275 358 L HA 0.631 4.971 4.340 0.001 0.000 0.288 358 L C -0.221 176.767 176.870 0.196 0.000 1.046 358 L CA -0.189 54.753 54.840 0.169 0.000 0.805 358 L CB 1.186 43.373 42.059 0.215 0.000 1.193 358 L HN 0.679 nan 8.230 nan 0.000 0.426 359 M N 3.636 123.429 119.600 0.322 0.000 2.662 359 M HA 0.658 5.139 4.480 0.001 0.000 0.310 359 M C -0.643 175.716 176.300 0.098 0.000 1.204 359 M CA -0.839 54.609 55.300 0.247 0.000 0.891 359 M CB 2.684 35.416 32.600 0.220 0.000 1.732 359 M HN 0.467 nan 8.290 nan 0.000 0.467 360 R N 0.924 121.449 120.500 0.043 0.000 2.734 360 R HA 0.529 4.869 4.340 0.001 0.000 0.271 360 R C -1.578 174.674 176.300 -0.080 0.000 1.021 360 R CA -1.070 54.945 56.100 -0.142 0.000 0.893 360 R CB 1.890 32.018 30.300 -0.287 0.000 1.244 360 R HN 0.473 nan 8.270 nan 0.000 0.464 361 K N 0.735 121.067 120.400 -0.113 0.000 2.265 361 K HA 0.322 4.642 4.320 0.001 0.000 0.267 361 K C -0.888 175.667 176.600 -0.076 0.000 0.994 361 K CA -0.477 55.769 56.287 -0.069 0.000 0.860 361 K CB 1.419 33.883 32.500 -0.061 0.000 1.099 361 K HN 0.334 nan 8.250 nan 0.000 0.448 362 V N 7.755 127.636 119.914 -0.055 0.000 2.397 362 V HA 0.066 4.187 4.120 0.001 0.000 0.262 362 V C 0.978 177.043 176.094 -0.048 0.000 1.047 362 V CA 0.064 62.331 62.300 -0.054 0.000 1.003 362 V CB 0.059 31.858 31.823 -0.039 0.000 1.037 362 V HN 0.791 nan 8.190 nan 0.000 0.480 363 L N 3.699 124.887 121.223 -0.058 0.000 2.477 363 L HA 0.283 4.624 4.340 0.001 0.000 0.220 363 L C 0.875 177.718 176.870 -0.045 0.000 1.106 363 L CA 0.704 55.512 54.840 -0.053 0.000 0.851 363 L CB -0.088 41.931 42.059 -0.068 0.000 0.994 363 L HN 0.491 nan 8.230 nan 0.000 0.462 364 K N 0.099 120.473 120.400 -0.044 0.000 2.523 364 K HA 0.360 4.680 4.320 0.001 0.000 0.257 364 K C -2.650 173.934 176.600 -0.027 0.000 0.932 364 K CA -1.913 54.354 56.287 -0.033 0.000 0.812 364 K CB 2.547 35.026 32.500 -0.035 0.000 1.326 364 K HN -0.348 nan 8.250 nan 0.000 0.433 365 P HA -0.059 nan 4.420 nan 0.000 0.262 365 P C -0.539 176.758 177.300 -0.005 0.000 1.182 365 P CA -0.122 62.973 63.100 -0.008 0.000 0.761 365 P CB 0.345 32.043 31.700 -0.002 0.000 0.795 366 V N 0.941 120.856 119.914 0.002 0.000 2.487 366 V HA 0.406 4.527 4.120 0.001 0.000 0.298 366 V C -0.219 175.893 176.094 0.032 0.000 1.028 366 V CA -1.138 61.169 62.300 0.011 0.000 0.860 366 V CB 1.483 33.309 31.823 0.004 0.000 0.991 366 V HN 0.201 nan 8.190 nan 0.000 0.427 367 Q N 3.260 123.082 119.800 0.036 0.000 2.286 367 Q HA 0.526 4.866 4.340 0.001 0.000 0.265 367 Q C -0.462 175.581 176.000 0.072 0.000 1.080 367 Q CA 0.217 56.051 55.803 0.052 0.000 0.906 367 Q CB 1.248 30.009 28.738 0.039 0.000 1.227 367 Q HN 0.755 nan 8.270 nan 0.000 0.409 368 V N 3.034 123.010 119.914 0.102 0.000 2.378 368 V HA 0.699 4.820 4.120 0.001 0.000 0.288 368 V C 0.933 177.137 176.094 0.183 0.000 1.016 368 V CA 0.212 62.588 62.300 0.126 0.000 0.840 368 V CB 0.808 32.696 31.823 0.108 0.000 0.994 368 V HN 1.014 nan 8.190 nan 0.000 0.431 369 G N 5.513 114.403 108.800 0.149 0.000 2.596 369 G HA2 -0.346 3.614 3.960 0.001 0.000 0.295 369 G HA3 -0.346 3.614 3.960 0.001 0.000 0.295 369 G C 0.921 175.850 174.900 0.049 0.000 1.240 369 G CA 0.819 45.999 45.100 0.133 0.000 0.985 369 G HN 1.014 nan 8.290 nan 0.000 0.555 370 K N -0.430 119.924 120.400 -0.076 0.000 2.288 370 K HA 0.132 4.453 4.320 0.001 0.000 0.201 370 K C 0.972 177.443 176.600 -0.216 0.000 1.048 370 K CA 1.058 57.215 56.287 -0.217 0.000 0.956 370 K CB -0.056 32.212 32.500 -0.386 0.000 0.746 370 K HN 0.525 nan 8.250 nan 0.000 0.461 371 Y N 0.957 121.270 120.300 0.021 0.000 2.281 371 Y HA 0.310 4.861 4.550 0.001 0.000 0.337 371 Y C 0.240 176.145 175.900 0.009 0.000 1.304 371 Y CA -1.099 57.010 58.100 0.014 0.000 1.465 371 Y CB 0.971 39.438 38.460 0.013 0.000 1.350 371 Y HN -0.311 nan 8.280 nan 0.000 0.575 372 V N 2.022 122.045 119.914 0.181 0.000 2.483 372 V HA 0.273 4.393 4.120 0.001 0.000 0.297 372 V C -0.985 175.151 176.094 0.069 0.000 1.027 372 V CA -0.988 61.368 62.300 0.094 0.000 0.855 372 V CB 1.773 33.629 31.823 0.055 0.000 0.995 372 V HN 0.500 nan 8.190 nan 0.000 0.424 373 V N 8.729 128.668 119.914 0.041 0.000 2.408 373 V HA 0.308 4.428 4.120 0.001 0.000 0.267 373 V C -1.780 174.314 176.094 -0.001 0.000 1.047 373 V CA -1.448 60.856 62.300 0.007 0.000 0.937 373 V CB 1.175 32.993 31.823 -0.008 0.000 0.999 373 V HN 0.709 nan 8.190 nan 0.000 0.472 374 P HA 0.146 nan 4.420 nan 0.000 0.272 374 P C -0.255 177.035 177.300 -0.017 0.000 1.240 374 P CA -0.423 62.671 63.100 -0.009 0.000 0.791 374 P CB 0.741 32.434 31.700 -0.011 0.000 0.978 375 E N -0.452 119.738 120.200 -0.017 0.000 2.373 375 E HA 0.365 4.716 4.350 0.001 0.000 0.263 375 E C 0.754 177.342 176.600 -0.020 0.000 1.073 375 E CA -0.347 56.041 56.400 -0.021 0.000 0.894 375 E CB -0.204 29.484 29.700 -0.021 0.000 1.008 375 E HN 0.733 nan 8.360 nan 0.000 0.420 376 G N 1.832 110.620 108.800 -0.021 0.000 2.253 376 G HA2 -0.277 3.684 3.960 0.001 0.000 0.251 376 G HA3 -0.277 3.684 3.960 0.001 0.000 0.251 376 G C 0.079 174.969 174.900 -0.016 0.000 0.998 376 G CA 0.264 45.355 45.100 -0.015 0.000 0.621 376 G HN 0.759 nan 8.290 nan 0.000 0.524 377 D N 0.705 121.090 120.400 -0.024 0.000 2.341 377 D HA 0.420 5.060 4.640 0.001 0.000 0.245 377 D C 0.665 176.949 176.300 -0.027 0.000 1.106 377 D CA -0.255 53.726 54.000 -0.032 0.000 0.905 377 D CB 0.450 41.225 40.800 -0.041 0.000 1.202 377 D HN 0.312 nan 8.370 nan 0.000 0.426 378 I N 4.238 124.791 120.570 -0.027 0.000 2.304 378 I HA 0.226 4.396 4.170 0.001 0.000 0.291 378 I C 0.543 176.645 176.117 -0.024 0.000 1.018 378 I CA -0.614 60.681 61.300 -0.008 0.000 1.260 378 I CB 1.238 39.256 38.000 0.029 0.000 1.390 378 I HN 0.243 nan 8.210 nan 0.000 0.475 379 I N 6.375 126.950 120.570 0.008 0.000 2.385 379 I HA 0.623 4.793 4.170 0.001 0.000 0.294 379 I C -0.171 176.015 176.117 0.116 0.000 0.988 379 I CA -0.133 61.188 61.300 0.035 0.000 1.265 379 I CB 1.068 39.117 38.000 0.082 0.000 1.388 379 I HN 0.679 nan 8.210 nan 0.000 0.480 380 A N 6.724 129.499 122.820 -0.075 0.000 2.393 380 A HA 0.559 4.879 4.320 0.001 0.000 0.306 380 A C -1.344 175.852 177.584 -0.647 0.000 1.050 380 A CA -0.497 51.395 52.037 -0.242 0.000 0.724 380 A CB 1.386 20.291 19.000 -0.157 0.000 1.248 380 A HN 0.796 nan 8.150 nan 0.000 0.424 381 C N 2.082 120.698 119.300 -1.141 0.000 2.322 381 C HA 0.791 5.251 4.460 0.001 0.000 0.324 381 C C 0.429 175.094 174.990 -0.541 0.000 1.284 381 C CA -0.200 58.182 59.018 -1.059 0.000 1.606 381 C CB 0.267 26.931 27.740 -1.794 0.000 2.251 381 C HN 0.956 nan 8.230 nan 0.000 0.502 382 S N 6.462 121.961 115.700 -0.335 0.000 2.461 382 S HA 0.467 4.938 4.470 0.001 0.000 0.322 382 S C -1.624 172.837 174.600 -0.232 0.000 1.063 382 S CA -1.120 56.966 58.200 -0.190 0.000 1.120 382 S CB 1.059 64.216 63.200 -0.071 0.000 0.968 382 S HN 0.747 nan 8.310 nan 0.000 0.467 383 P HA -0.075 nan 4.420 nan 0.000 0.221 383 P C 1.312 178.244 177.300 -0.613 0.000 1.145 383 P CA 0.338 63.071 63.100 -0.612 0.000 0.795 383 P CB 0.160 31.584 31.700 -0.460 0.000 0.775 384 L N -0.836 120.251 121.223 -0.227 0.000 2.044 384 L HA -0.047 4.294 4.340 0.001 0.000 0.205 384 L C 2.057 178.902 176.870 -0.042 0.000 1.075 384 L CA 1.691 56.488 54.840 -0.071 0.000 0.747 384 L CB -1.485 40.600 42.059 0.043 0.000 0.903 384 L HN -0.127 nan 8.230 nan 0.000 0.435 385 L N -1.099 120.107 121.223 -0.029 0.000 2.072 385 L HA -0.069 4.272 4.340 0.001 0.000 0.205 385 L C 2.362 179.265 176.870 0.055 0.000 1.079 385 L CA 1.908 56.769 54.840 0.034 0.000 0.752 385 L CB -0.781 41.328 42.059 0.082 0.000 0.906 385 L HN 0.261 nan 8.230 nan 0.000 0.436 386 S N -1.123 114.588 115.700 0.019 0.000 2.423 386 S HA -0.125 4.346 4.470 0.001 0.000 0.231 386 S C 1.634 176.347 174.600 0.188 0.000 1.014 386 S CA 0.812 59.097 58.200 0.142 0.000 0.965 386 S CB -0.550 62.812 63.200 0.271 0.000 0.785 386 S HN 0.566 nan 8.310 nan 0.000 0.495 387 H N 1.159 120.195 119.070 -0.057 0.000 2.556 387 H HA 0.203 4.759 4.556 0.001 0.000 0.268 387 H C 1.468 176.641 175.328 -0.259 0.000 0.996 387 H CA 0.544 56.353 56.048 -0.398 0.000 1.157 387 H CB 0.056 29.568 29.762 -0.418 0.000 1.355 387 H HN 0.330 nan 8.280 nan 0.000 0.597 388 Q N -0.154 119.704 119.800 0.095 0.000 2.319 388 Q HA 0.021 4.361 4.340 0.001 0.000 0.209 388 Q C 0.283 176.396 176.000 0.188 0.000 0.884 388 Q CA -0.057 55.813 55.803 0.112 0.000 0.938 388 Q CB 0.509 29.291 28.738 0.073 0.000 1.098 388 Q HN 0.370 nan 8.270 nan 0.000 0.517 389 D N 2.237 122.801 120.400 0.273 0.000 2.479 389 D HA -0.093 4.547 4.640 0.001 0.000 0.257 389 D C 0.499 176.941 176.300 0.237 0.000 1.230 389 D CA 0.368 54.516 54.000 0.246 0.000 0.912 389 D CB 0.721 41.672 40.800 0.252 0.000 1.130 389 D HN 0.199 nan 8.370 nan 0.000 0.515 390 E N 2.855 123.141 120.200 0.144 0.000 2.204 390 E HA -0.203 4.147 4.350 0.001 0.000 0.195 390 E C 1.507 178.146 176.600 0.064 0.000 0.990 390 E CA 0.583 57.048 56.400 0.109 0.000 0.821 390 E CB 0.256 30.000 29.700 0.073 0.000 0.750 390 E HN 0.662 nan 8.360 nan 0.000 0.477 391 E N 0.937 121.165 120.200 0.047 0.000 2.017 391 E HA -0.193 4.158 4.350 0.001 0.000 0.193 391 E C 2.088 178.635 176.600 -0.089 0.000 0.997 391 E CA 1.094 57.495 56.400 0.003 0.000 0.804 391 E CB -0.075 29.645 29.700 0.034 0.000 0.757 391 E HN 0.185 nan 8.360 nan 0.000 0.448 392 A N 0.095 122.814 122.820 -0.168 0.000 1.969 392 A HA -0.059 4.262 4.320 0.001 0.000 0.218 392 A C 0.606 177.647 177.584 -0.905 0.000 1.169 392 A CA 0.902 52.605 52.037 -0.556 0.000 0.635 392 A CB -0.148 18.474 19.000 -0.631 0.000 0.810 392 A HN 0.293 nan 8.150 nan 0.000 0.445 393 F N 0.434 120.400 119.950 0.026 0.000 2.660 393 F HA 0.319 4.846 4.527 0.001 0.000 0.352 393 F C -2.619 173.190 175.800 0.014 0.000 1.257 393 F CA -2.799 55.210 58.000 0.015 0.000 1.200 393 F CB 1.115 40.130 39.000 0.024 0.000 1.473 393 F HN -0.038 nan 8.300 nan 0.000 0.561 394 P HA -0.045 nan 4.420 nan 0.000 0.269 394 P C -0.002 177.349 177.300 0.084 0.000 1.209 394 P CA 0.216 63.361 63.100 0.074 0.000 0.776 394 P CB 0.654 32.374 31.700 0.033 0.000 0.876 395 N N 1.061 119.804 118.700 0.073 0.000 2.671 395 N HA -0.141 4.600 4.740 0.001 0.000 0.261 395 N C -1.678 173.878 175.510 0.078 0.000 1.053 395 N CA 0.150 53.241 53.050 0.069 0.000 0.732 395 N CB -0.988 37.536 38.487 0.062 0.000 0.887 395 N HN 0.391 nan 8.380 nan 0.000 0.546 396 P HA -0.071 nan 4.420 nan 0.000 0.216 396 P C 1.126 178.448 177.300 0.037 0.000 1.153 396 P CA 0.996 64.142 63.100 0.077 0.000 0.848 396 P CB 0.286 32.038 31.700 0.086 0.000 0.787 397 R N 0.128 120.658 120.500 0.051 0.000 2.325 397 R HA 0.113 4.453 4.340 0.001 0.000 0.214 397 R C 0.695 177.044 176.300 0.082 0.000 0.961 397 R CA 0.120 56.253 56.100 0.055 0.000 1.086 397 R CB -1.080 29.258 30.300 0.063 0.000 1.037 397 R HN 0.432 nan 8.270 nan 0.000 0.493 398 E N 0.081 120.327 120.200 0.077 0.000 2.156 398 E HA 0.049 4.399 4.350 0.001 0.000 0.279 398 E C -1.163 175.491 176.600 0.090 0.000 0.965 398 E CA -0.777 55.689 56.400 0.110 0.000 0.789 398 E CB 0.746 30.506 29.700 0.100 0.000 1.098 398 E HN 0.098 nan 8.360 nan 0.000 0.397 399 W N 6.310 127.563 121.300 -0.077 0.000 2.497 399 W HA 0.217 4.878 4.660 0.001 0.000 0.354 399 W C -0.655 175.757 176.519 -0.179 0.000 1.111 399 W CA -0.404 56.801 57.345 -0.234 0.000 1.510 399 W CB 0.161 29.354 29.460 -0.445 0.000 1.466 399 W HN 0.388 nan 8.180 nan 0.000 0.409 400 N N 7.026 125.434 118.700 -0.486 0.000 2.569 400 N HA 0.344 5.084 4.740 0.001 0.000 0.254 400 N C -2.062 173.032 175.510 -0.694 0.000 1.004 400 N CA -2.374 50.391 53.050 -0.475 0.000 0.904 400 N CB 1.954 40.367 38.487 -0.123 0.000 1.165 400 N HN 0.049 nan 8.380 nan 0.000 0.513 401 P HA -0.030 nan 4.420 nan 0.000 0.225 401 P C 0.461 177.585 177.300 -0.295 0.000 1.148 401 P CA 0.930 63.563 63.100 -0.778 0.000 0.779 401 P CB 0.489 31.634 31.700 -0.924 0.000 0.780 402 E N -0.266 119.857 120.200 -0.128 0.000 2.442 402 E HA -0.021 4.330 4.350 0.001 0.000 0.195 402 E C 0.907 177.483 176.600 -0.040 0.000 1.030 402 E CA 0.158 56.563 56.400 0.009 0.000 0.869 402 E CB -0.370 29.392 29.700 0.104 0.000 0.857 402 E HN 0.490 nan 8.360 nan 0.000 0.505 403 R N 1.633 122.078 120.500 -0.091 0.000 2.811 403 R HA 0.090 4.430 4.340 0.001 0.000 0.265 403 R C 0.323 176.583 176.300 -0.067 0.000 1.026 403 R CA -0.267 55.795 56.100 -0.064 0.000 1.142 403 R CB 0.115 30.381 30.300 -0.056 0.000 1.027 403 R HN -0.273 nan 8.270 nan 0.000 0.465 404 N N 2.634 121.299 118.700 -0.058 0.000 2.406 404 N HA 0.053 4.793 4.740 0.001 0.000 0.251 404 N C 0.511 175.969 175.510 -0.087 0.000 1.069 404 N CA -0.410 52.597 53.050 -0.072 0.000 0.947 404 N CB 0.867 39.312 38.487 -0.069 0.000 1.111 404 N HN 0.657 nan 8.380 nan 0.000 0.497 405 M N 2.183 121.737 119.600 -0.077 0.000 2.349 405 M HA 0.009 4.490 4.480 0.001 0.000 0.266 405 M C 0.928 177.193 176.300 -0.059 0.000 1.076 405 M CA 0.942 56.220 55.300 -0.037 0.000 1.126 405 M CB -0.333 32.188 32.600 -0.132 0.000 1.392 405 M HN 0.375 nan 8.290 nan 0.000 0.440 406 K N 0.583 120.938 120.400 -0.075 0.000 2.444 406 K HA 0.091 4.411 4.320 0.001 0.000 0.193 406 K C 1.723 178.268 176.600 -0.093 0.000 1.024 406 K CA 0.025 56.275 56.287 -0.062 0.000 1.077 406 K CB -0.475 31.998 32.500 -0.044 0.000 0.833 406 K HN 0.175 nan 8.250 nan 0.000 0.517 407 L N 0.701 121.840 121.223 -0.140 0.000 2.034 407 L HA -0.197 4.144 4.340 0.001 0.000 0.217 407 L C 0.449 177.231 176.870 -0.147 0.000 1.077 407 L CA 1.726 56.476 54.840 -0.151 0.000 0.769 407 L CB -0.078 41.849 42.059 -0.219 0.000 0.890 407 L HN -0.162 nan 8.230 nan 0.000 0.435 408 V N 0.796 120.586 119.914 -0.208 0.000 2.305 408 V HA 0.193 4.313 4.120 0.001 0.000 0.275 408 V C -0.610 175.391 176.094 -0.154 0.000 1.020 408 V CA -1.125 61.052 62.300 -0.204 0.000 0.811 408 V CB 0.815 32.447 31.823 -0.319 0.000 1.031 408 V HN 0.171 nan 8.190 nan 0.000 0.439 409 D N 3.915 124.264 120.400 -0.084 0.000 2.502 409 D HA 0.307 4.948 4.640 0.001 0.000 0.249 409 D C 1.235 177.530 176.300 -0.008 0.000 1.188 409 D CA 2.216 56.201 54.000 -0.024 0.000 0.890 409 D CB 0.643 41.444 40.800 0.002 0.000 1.140 409 D HN 0.929 nan 8.370 nan 0.000 0.505 410 G N 2.483 111.320 108.800 0.061 0.000 2.179 410 G HA2 -0.241 3.719 3.960 0.001 0.000 0.220 410 G HA3 -0.241 3.719 3.960 0.001 0.000 0.220 410 G C 1.089 176.098 174.900 0.182 0.000 0.990 410 G CA 0.497 45.675 45.100 0.130 0.000 0.646 410 G HN 0.811 nan 8.290 nan 0.000 0.517 411 A N 0.174 123.062 122.820 0.113 0.000 1.832 411 A HA 0.458 4.779 4.320 0.001 0.000 0.214 411 A C 1.177 179.109 177.584 0.579 0.000 1.200 411 A CA 1.439 53.589 52.037 0.189 0.000 0.610 411 A CB -0.439 18.624 19.000 0.104 0.000 0.842 411 A HN 1.429 nan 8.150 nan 0.000 0.444 412 F N 0.823 121.072 119.950 0.498 0.000 2.578 412 F HA 0.266 4.794 4.527 0.001 0.000 0.376 412 F C 0.534 176.580 175.800 0.410 0.000 1.085 412 F CA -0.020 58.286 58.000 0.511 0.000 1.260 412 F CB 0.633 39.803 39.000 0.283 0.000 1.095 412 F HN 0.335 nan 8.300 nan 0.000 0.573 413 C N 3.993 123.184 119.300 -0.182 0.000 3.214 413 C HA 0.410 4.871 4.460 0.001 0.000 0.261 413 C C 1.608 176.340 174.990 -0.430 0.000 2.279 413 C CA -0.300 58.554 59.018 -0.274 0.000 1.606 413 C CB -0.454 27.209 27.740 -0.128 0.000 3.251 413 C HN 1.042 nan 8.230 nan 0.000 0.443 414 G N 0.663 108.891 108.800 -0.954 0.000 2.470 414 G HA2 -0.034 3.927 3.960 0.001 0.000 0.220 414 G HA3 -0.034 3.927 3.960 0.001 0.000 0.220 414 G C 0.576 175.156 174.900 -0.533 0.000 1.121 414 G CA 0.979 45.699 45.100 -0.633 0.000 0.766 414 G HN 0.608 nan 8.290 nan 0.000 0.553 415 F N 0.986 120.903 119.950 -0.054 0.000 2.772 415 F HA 0.445 4.972 4.527 0.001 0.000 0.302 415 F C 1.586 177.398 175.800 0.019 0.000 1.136 415 F CA -0.148 57.888 58.000 0.060 0.000 1.322 415 F CB 0.419 39.499 39.000 0.134 0.000 0.967 415 F HN 0.326 nan 8.300 nan 0.000 0.513 416 G N 1.352 110.183 108.800 0.051 0.000 2.641 416 G HA2 0.120 4.080 3.960 0.001 0.000 0.254 416 G HA3 0.120 4.080 3.960 0.001 0.000 0.254 416 G C -0.386 174.287 174.900 -0.379 0.000 1.315 416 G CA -0.319 44.798 45.100 0.029 0.000 0.907 416 G HN 1.038 nan 8.290 nan 0.000 0.572 417 A N -2.844 119.743 122.820 -0.388 0.000 2.540 417 A HA 1.057 5.377 4.320 0.001 0.000 0.291 417 A C 1.339 178.975 177.584 0.088 0.000 1.083 417 A CA 1.199 53.017 52.037 -0.364 0.000 0.650 417 A CB 0.546 18.965 19.000 -0.968 0.000 1.292 417 A HN 3.100 nan 8.150 nan 0.000 0.435 418 G N -0.891 107.967 108.800 0.096 0.000 2.622 418 G HA2 -0.131 3.830 3.960 0.001 0.000 0.307 418 G HA3 -0.131 3.830 3.960 0.001 0.000 0.307 418 G C 1.192 176.168 174.900 0.125 0.000 1.226 418 G CA 1.721 46.912 45.100 0.152 0.000 0.997 418 G HN 1.846 nan 8.290 nan 0.000 0.551 419 V N 0.476 120.468 119.914 0.129 0.000 2.407 419 V HA -0.082 4.038 4.120 0.001 0.000 0.248 419 V C 1.850 177.907 176.094 -0.061 0.000 1.055 419 V CA 2.562 64.876 62.300 0.024 0.000 1.049 419 V CB -0.519 31.322 31.823 0.030 0.000 0.662 419 V HN 0.661 nan 8.190 nan 0.000 0.455 420 H N 0.783 119.935 119.070 0.137 0.000 2.503 420 H HA 0.215 4.772 4.556 0.001 0.000 0.296 420 H C 0.538 175.984 175.328 0.196 0.000 1.097 420 H CA -0.374 55.772 56.048 0.165 0.000 1.055 420 H CB 0.118 29.984 29.762 0.174 0.000 1.580 420 H HN 0.604 nan 8.280 nan 0.000 0.546 421 K N 0.180 120.711 120.400 0.218 0.000 2.436 421 K HA 0.062 4.383 4.320 0.001 0.000 0.275 421 K C 0.299 177.030 176.600 0.218 0.000 0.999 421 K CA -0.405 56.000 56.287 0.196 0.000 0.980 421 K CB 0.832 33.404 32.500 0.120 0.000 0.919 421 K HN 0.032 nan 8.250 nan 0.000 0.484 422 C N 5.339 124.807 119.300 0.280 0.000 2.419 422 C HA -0.000 4.460 4.460 0.001 0.000 0.398 422 C C 1.655 176.782 174.990 0.227 0.000 1.498 422 C CA -0.494 58.709 59.018 0.309 0.000 1.494 422 C CB -1.775 26.253 27.740 0.479 0.000 2.485 422 C HN 0.983 nan 8.230 nan 0.000 0.608 423 I N 3.659 124.348 120.570 0.199 0.000 3.684 423 I HA 0.302 4.472 4.170 0.001 0.000 0.304 423 I C 1.452 177.680 176.117 0.185 0.000 1.278 423 I CA 1.092 62.481 61.300 0.150 0.000 1.272 423 I CB -0.340 37.724 38.000 0.107 0.000 1.029 423 I HN 0.673 nan 8.210 nan 0.000 0.458 424 G N 0.919 109.866 108.800 0.245 0.000 3.651 424 G HA2 0.088 4.049 3.960 0.001 0.000 0.279 424 G HA3 0.088 4.049 3.960 0.001 0.000 0.279 424 G C 1.051 176.134 174.900 0.306 0.000 1.024 424 G CA -0.069 45.216 45.100 0.309 0.000 0.813 424 G HN 0.459 nan 8.290 nan 0.000 0.518 425 E N 0.859 121.183 120.200 0.207 0.000 2.077 425 E HA -0.135 4.216 4.350 0.001 0.000 0.193 425 E C 2.039 178.641 176.600 0.004 0.000 0.989 425 E CA 0.784 57.205 56.400 0.035 0.000 0.800 425 E CB 0.070 29.493 29.700 -0.462 0.000 0.746 425 E HN 0.085 nan 8.360 nan 0.000 0.452 426 K N 0.250 120.691 120.400 0.067 0.000 2.026 426 K HA -0.153 4.168 4.320 0.001 0.000 0.208 426 K C 2.045 178.675 176.600 0.050 0.000 1.048 426 K CA 1.076 57.413 56.287 0.083 0.000 0.929 426 K CB -0.678 31.952 32.500 0.217 0.000 0.713 426 K HN 0.213 nan 8.250 nan 0.000 0.439 427 F N 1.450 121.417 119.950 0.028 0.000 2.146 427 F HA -0.079 4.449 4.527 0.001 0.000 0.298 427 F C 2.056 177.830 175.800 -0.043 0.000 1.096 427 F CA 1.631 59.571 58.000 -0.100 0.000 1.275 427 F CB -0.735 38.389 39.000 0.207 0.000 1.008 427 F HN 0.046 nan 8.300 nan 0.000 0.480 428 G N 0.926 109.698 108.800 -0.046 0.000 2.480 428 G HA2 -0.245 3.716 3.960 0.001 0.000 0.216 428 G HA3 -0.245 3.716 3.960 0.001 0.000 0.216 428 G C 1.804 176.621 174.900 -0.138 0.000 1.200 428 G CA 1.108 46.146 45.100 -0.103 0.000 0.782 428 G HN 0.427 nan 8.290 nan 0.000 0.554 429 L N -0.121 121.068 121.223 -0.056 0.000 2.191 429 L HA -0.048 4.292 4.340 0.001 0.000 0.212 429 L C 2.691 179.467 176.870 -0.156 0.000 1.103 429 L CA 0.297 55.096 54.840 -0.068 0.000 0.769 429 L CB -0.348 41.678 42.059 -0.054 0.000 0.908 429 L HN 0.230 nan 8.230 nan 0.000 0.438 430 L N -0.337 120.742 121.223 -0.239 0.000 2.012 430 L HA -0.264 4.077 4.340 0.001 0.000 0.210 430 L C 2.529 179.236 176.870 -0.271 0.000 1.073 430 L CA 1.852 56.523 54.840 -0.281 0.000 0.748 430 L CB -0.506 41.310 42.059 -0.406 0.000 0.891 430 L HN 0.258 nan 8.230 nan 0.000 0.431 431 Q N -1.230 118.348 119.800 -0.369 0.000 1.990 431 Q HA -0.168 4.172 4.340 0.001 0.000 0.200 431 Q C 2.161 178.042 176.000 -0.198 0.000 0.980 431 Q CA 1.996 57.614 55.803 -0.308 0.000 0.832 431 Q CB -0.377 28.119 28.738 -0.404 0.000 0.897 431 Q HN 0.449 nan 8.270 nan 0.000 0.427 432 V N 1.697 121.511 119.914 -0.166 0.000 2.215 432 V HA -0.380 3.741 4.120 0.001 0.000 0.249 432 V C 2.166 178.205 176.094 -0.092 0.000 1.054 432 V CA 2.320 64.558 62.300 -0.102 0.000 1.012 432 V CB -0.650 31.142 31.823 -0.051 0.000 0.639 432 V HN 0.371 nan 8.190 nan 0.000 0.448 433 K N -0.400 119.943 120.400 -0.095 0.000 2.034 433 K HA -0.227 4.093 4.320 0.001 0.000 0.214 433 K C 2.164 178.702 176.600 -0.102 0.000 1.051 433 K CA 2.239 58.471 56.287 -0.092 0.000 0.931 433 K CB -0.724 31.710 32.500 -0.110 0.000 0.715 433 K HN 0.537 nan 8.250 nan 0.000 0.446 434 T N 1.095 115.574 114.554 -0.124 0.000 2.652 434 T HA -0.136 4.215 4.350 0.001 0.000 0.267 434 T C 2.062 176.711 174.700 -0.085 0.000 1.039 434 T CA 1.523 63.555 62.100 -0.114 0.000 1.153 434 T CB -0.331 68.471 68.868 -0.110 0.000 0.863 434 T HN -0.036 nan 8.240 nan 0.000 0.428 435 V N 1.564 121.421 119.914 -0.095 0.000 2.332 435 V HA -0.157 3.964 4.120 0.001 0.000 0.248 435 V C 2.498 178.567 176.094 -0.042 0.000 1.055 435 V CA 1.547 63.796 62.300 -0.085 0.000 1.038 435 V CB -0.751 31.000 31.823 -0.120 0.000 0.651 435 V HN 0.436 nan 8.190 nan 0.000 0.450 436 L N 0.031 121.231 121.223 -0.039 0.000 2.046 436 L HA -0.143 4.198 4.340 0.001 0.000 0.208 436 L C 2.750 179.634 176.870 0.022 0.000 1.077 436 L CA 1.582 56.419 54.840 -0.005 0.000 0.747 436 L CB -0.862 41.189 42.059 -0.012 0.000 0.896 436 L HN 0.353 nan 8.230 nan 0.000 0.432 437 A N -0.496 122.322 122.820 -0.004 0.000 1.978 437 A HA -0.195 4.126 4.320 0.001 0.000 0.220 437 A C 2.348 179.965 177.584 0.056 0.000 1.170 437 A CA 2.384 54.427 52.037 0.011 0.000 0.636 437 A CB -0.789 18.177 19.000 -0.057 0.000 0.810 437 A HN 0.415 nan 8.150 nan 0.000 0.448 438 T N -0.825 113.758 114.554 0.048 0.000 2.851 438 T HA -0.026 4.324 4.350 0.001 0.000 0.262 438 T C 1.903 176.702 174.700 0.164 0.000 1.043 438 T CA 1.343 63.493 62.100 0.083 0.000 1.140 438 T CB -0.277 68.613 68.868 0.037 0.000 0.872 438 T HN 0.159 nan 8.240 nan 0.000 0.446 439 V N 1.785 121.805 119.914 0.175 0.000 2.307 439 V HA -0.032 4.088 4.120 0.001 0.000 0.245 439 V C 2.402 178.763 176.094 0.445 0.000 1.045 439 V CA 1.394 63.889 62.300 0.324 0.000 1.024 439 V CB -0.678 31.323 31.823 0.297 0.000 0.651 439 V HN 0.415 nan 8.190 nan 0.000 0.449 440 L N -0.112 121.298 121.223 0.311 0.000 2.465 440 L HA -0.054 4.286 4.340 0.001 0.000 0.224 440 L C 2.579 179.627 176.870 0.296 0.000 1.145 440 L CA 0.983 56.001 54.840 0.296 0.000 0.834 440 L CB -0.511 41.588 42.059 0.067 0.000 0.944 440 L HN 0.287 nan 8.230 nan 0.000 0.451 441 R N 0.011 120.664 120.500 0.255 0.000 2.193 441 R HA -0.101 4.239 4.340 0.001 0.000 0.213 441 R C 0.612 177.043 176.300 0.219 0.000 1.055 441 R CA 1.204 57.447 56.100 0.238 0.000 0.995 441 R CB 0.250 30.662 30.300 0.186 0.000 0.893 441 R HN 0.290 nan 8.270 nan 0.000 0.459 442 D N -1.769 118.794 120.400 0.272 0.000 2.500 442 D HA 0.123 4.763 4.640 0.001 0.000 0.218 442 D C -0.907 175.320 176.300 -0.122 0.000 1.140 442 D CA 0.334 54.406 54.000 0.120 0.000 0.830 442 D CB 0.605 41.537 40.800 0.219 0.000 1.055 442 D HN 0.034 nan 8.370 nan 0.000 0.512 443 Y N 0.466 120.859 120.300 0.155 0.000 2.534 443 Y HA 0.399 4.950 4.550 0.001 0.000 0.345 443 Y C -0.314 175.552 175.900 -0.057 0.000 1.031 443 Y CA -1.130 56.964 58.100 -0.010 0.000 1.022 443 Y CB 1.809 40.217 38.460 -0.087 0.000 1.292 443 Y HN -0.344 nan 8.280 nan 0.000 0.459 444 D N 0.951 121.271 120.400 -0.133 0.000 2.449 444 D HA 0.634 5.274 4.640 0.001 0.000 0.250 444 D C -1.179 174.839 176.300 -0.470 0.000 1.050 444 D CA -0.246 53.713 54.000 -0.069 0.000 1.024 444 D CB 1.662 42.456 40.800 -0.010 0.000 1.218 444 D HN 0.239 nan 8.370 nan 0.000 0.566 445 F N -0.432 119.565 119.950 0.079 0.000 2.662 445 F HA 0.404 4.931 4.527 0.001 0.000 0.312 445 F C -0.256 175.544 175.800 -0.001 0.000 1.113 445 F CA -0.759 57.254 58.000 0.020 0.000 0.951 445 F CB 2.084 41.078 39.000 -0.010 0.000 1.344 445 F HN 0.019 nan 8.300 nan 0.000 0.462 446 E N 1.861 122.161 120.200 0.167 0.000 2.291 446 E HA 0.436 4.786 4.350 0.001 0.000 0.276 446 E C -1.338 175.289 176.600 0.043 0.000 0.896 446 E CA -0.754 55.690 56.400 0.073 0.000 0.774 446 E CB 2.652 32.366 29.700 0.023 0.000 1.227 446 E HN 0.388 nan 8.360 nan 0.000 0.413 447 L N 2.498 123.733 121.223 0.019 0.000 2.479 447 L HA 0.078 4.418 4.340 0.001 0.000 0.270 447 L C 0.959 177.823 176.870 -0.010 0.000 1.236 447 L CA 0.248 55.082 54.840 -0.009 0.000 0.823 447 L CB 0.238 42.286 42.059 -0.018 0.000 1.098 447 L HN 0.586 nan 8.230 nan 0.000 0.500 448 L N 0.545 121.756 121.223 -0.020 0.000 3.016 448 L HA 0.411 4.751 4.340 0.001 0.000 0.267 448 L C 0.470 177.330 176.870 -0.017 0.000 1.182 448 L CA -0.043 54.786 54.840 -0.018 0.000 0.997 448 L CB 0.467 42.514 42.059 -0.021 0.000 1.354 448 L HN 0.816 nan 8.230 nan 0.000 0.569 449 G N -0.132 108.657 108.800 -0.017 0.000 2.489 449 G HA2 0.358 4.318 3.960 0.001 0.000 0.305 449 G HA3 0.358 4.318 3.960 0.001 0.000 0.305 449 G C -3.002 171.894 174.900 -0.008 0.000 1.311 449 G CA -0.531 44.562 45.100 -0.012 0.000 0.813 449 G HN -0.247 nan 8.290 nan 0.000 0.480 450 P HA 0.297 nan 4.420 nan 0.000 0.268 450 P C -0.045 177.257 177.300 0.003 0.000 1.205 450 P CA -0.426 62.681 63.100 0.011 0.000 0.771 450 P CB 1.074 32.786 31.700 0.021 0.000 0.858 451 L N 5.947 127.175 121.223 0.009 0.000 2.640 451 L HA 0.052 4.392 4.340 0.001 0.000 0.280 451 L C -1.989 174.893 176.870 0.020 0.000 1.229 451 L CA -0.822 54.015 54.840 -0.005 0.000 0.919 451 L CB -1.340 40.730 42.059 0.018 0.000 1.168 451 L HN 0.328 nan 8.230 nan 0.000 0.496 452 P HA -0.012 nan 4.420 nan 0.000 0.266 452 P C -0.951 176.413 177.300 0.106 0.000 1.180 452 P CA 0.156 63.232 63.100 -0.040 0.000 0.765 452 P CB 0.421 31.993 31.700 -0.214 0.000 0.806 453 E N 3.264 123.529 120.200 0.109 0.000 2.214 453 E HA 0.346 4.696 4.350 0.001 0.000 0.274 453 E C -2.297 174.418 176.600 0.191 0.000 0.977 453 E CA -2.704 53.810 56.400 0.190 0.000 0.827 453 E CB 0.342 30.127 29.700 0.141 0.000 1.130 453 E HN 0.262 nan 8.360 nan 0.000 0.394 454 P HA -0.011 nan 4.420 nan 0.000 0.268 454 P C -0.957 176.266 177.300 -0.129 0.000 1.204 454 P CA 0.188 63.329 63.100 0.068 0.000 0.768 454 P CB 0.344 31.935 31.700 -0.182 0.000 0.842 455 N N 2.448 121.073 118.700 -0.125 0.000 2.462 455 N HA 0.118 4.859 4.740 0.001 0.000 0.242 455 N C 0.011 175.453 175.510 -0.114 0.000 1.010 455 N CA -0.428 52.607 53.050 -0.025 0.000 0.939 455 N CB 0.235 38.751 38.487 0.047 0.000 1.127 455 N HN 0.300 nan 8.380 nan 0.000 0.509 456 Y N 1.880 122.172 120.300 -0.014 0.000 2.490 456 Y HA 0.073 4.623 4.550 0.001 0.000 0.281 456 Y C 1.724 177.537 175.900 -0.144 0.000 1.174 456 Y CA 0.094 58.133 58.100 -0.103 0.000 1.295 456 Y CB 0.046 38.396 38.460 -0.182 0.000 1.062 456 Y HN 0.682 nan 8.280 nan 0.000 0.522 457 H N -0.528 118.604 119.070 0.105 0.000 2.546 457 H HA 0.023 4.579 4.556 0.001 0.000 0.277 457 H C 0.637 175.982 175.328 0.028 0.000 1.004 457 H CA 1.178 57.263 56.048 0.060 0.000 1.231 457 H CB -0.048 29.737 29.762 0.039 0.000 1.382 457 H HN 0.224 nan 8.280 nan 0.000 0.580 458 T N -2.391 112.227 114.554 0.107 0.000 2.925 458 T HA 0.230 4.580 4.350 0.001 0.000 0.285 458 T C 1.323 176.032 174.700 0.014 0.000 1.021 458 T CA -0.790 61.336 62.100 0.043 0.000 1.042 458 T CB 2.521 71.398 68.868 0.014 0.000 1.037 458 T HN 0.007 nan 8.240 nan 0.000 0.481 459 M N 1.092 120.687 119.600 -0.008 0.000 2.159 459 M HA 0.030 4.510 4.480 0.001 0.000 0.263 459 M C -0.221 176.079 176.300 -0.001 0.000 1.063 459 M CA 1.517 56.818 55.300 0.001 0.000 1.110 459 M CB 0.157 32.777 32.600 0.033 0.000 1.374 459 M HN 0.469 nan 8.290 nan 0.000 0.411 460 V N 1.900 121.780 119.914 -0.057 0.000 2.334 460 V HA 0.241 4.362 4.120 0.001 0.000 0.281 460 V C -0.307 175.771 176.094 -0.028 0.000 1.016 460 V CA -0.889 61.382 62.300 -0.049 0.000 0.832 460 V CB 1.167 32.914 31.823 -0.128 0.000 0.999 460 V HN -0.040 nan 8.190 nan 0.000 0.439 461 V N 5.097 125.007 119.914 -0.006 0.000 2.521 461 V HA 0.663 4.783 4.120 0.001 0.000 0.286 461 V C 0.937 177.053 176.094 0.036 0.000 1.034 461 V CA 0.747 63.030 62.300 -0.028 0.000 1.045 461 V CB 0.840 32.614 31.823 -0.082 0.000 0.974 461 V HN 1.002 nan 8.190 nan 0.000 0.480 462 G N 5.755 114.574 108.800 0.032 0.000 2.866 462 G HA2 0.694 4.654 3.960 0.001 0.000 0.289 462 G HA3 0.694 4.654 3.960 0.001 0.000 0.289 462 G C -3.225 171.679 174.900 0.007 0.000 1.396 462 G CA -1.254 43.905 45.100 0.097 0.000 0.848 462 G HN 0.490 nan 8.290 nan 0.000 0.515 463 P HA 0.200 nan 4.420 nan 0.000 0.275 463 P C 0.150 177.270 177.300 -0.299 0.000 1.227 463 P CA 0.117 62.889 63.100 -0.547 0.000 0.781 463 P CB 0.553 31.393 31.700 -1.434 0.000 0.906 464 T N 3.046 117.499 114.554 -0.168 0.000 2.800 464 T HA 0.044 4.394 4.350 0.001 0.000 0.283 464 T C 1.768 176.385 174.700 -0.139 0.000 0.999 464 T CA 0.648 62.686 62.100 -0.103 0.000 1.176 464 T CB 0.196 69.037 68.868 -0.045 0.000 0.973 464 T HN 0.458 nan 8.240 nan 0.000 0.519 465 A N 4.305 127.060 122.820 -0.109 0.000 1.873 465 A HA -0.156 4.164 4.320 0.001 0.000 0.218 465 A C 2.503 180.032 177.584 -0.091 0.000 1.193 465 A CA 2.076 54.050 52.037 -0.106 0.000 0.629 465 A CB -1.106 17.851 19.000 -0.072 0.000 0.826 465 A HN 0.909 nan 8.150 nan 0.000 0.447 466 S N -0.439 115.222 115.700 -0.066 0.000 2.469 466 S HA -0.203 4.268 4.470 0.001 0.000 0.238 466 S C 1.544 176.108 174.600 -0.059 0.000 0.998 466 S CA 1.408 59.577 58.200 -0.052 0.000 0.957 466 S CB -0.456 62.722 63.200 -0.036 0.000 0.764 466 S HN 0.719 nan 8.310 nan 0.000 0.514 467 Q N -0.571 119.181 119.800 -0.080 0.000 2.403 467 Q HA 0.236 4.576 4.340 0.001 0.000 0.203 467 Q C 0.803 176.733 176.000 -0.117 0.000 0.932 467 Q CA 0.163 55.915 55.803 -0.085 0.000 0.945 467 Q CB -0.096 28.591 28.738 -0.086 0.000 1.045 467 Q HN 0.600 nan 8.270 nan 0.000 0.511 468 C N 1.885 121.107 119.300 -0.130 0.000 2.693 468 C HA 0.139 4.600 4.460 0.001 0.000 0.286 468 C C 0.735 175.661 174.990 -0.107 0.000 1.277 468 C CA -0.550 58.374 59.018 -0.156 0.000 1.705 468 C CB -1.347 26.273 27.740 -0.199 0.000 1.879 468 C HN 0.368 nan 8.230 nan 0.000 0.607 469 R N 0.606 121.063 120.500 -0.072 0.000 2.442 469 R HA 0.585 4.926 4.340 0.001 0.000 0.291 469 R C -1.015 175.259 176.300 -0.044 0.000 1.069 469 R CA 0.199 56.273 56.100 -0.044 0.000 1.022 469 R CB 0.464 30.748 30.300 -0.027 0.000 0.976 469 R HN 0.100 nan 8.270 nan 0.000 0.443 470 V N 1.918 121.817 119.914 -0.025 0.000 3.114 470 V HA 0.358 4.479 4.120 0.001 0.000 0.308 470 V C -0.592 175.521 176.094 0.032 0.000 1.168 470 V CA -1.119 61.181 62.300 0.001 0.000 1.015 470 V CB 2.418 34.243 31.823 0.004 0.000 1.050 470 V HN 0.781 nan 8.190 nan 0.000 0.433 471 K N 1.888 122.307 120.400 0.031 0.000 2.130 471 K HA 0.580 4.900 4.320 0.001 0.000 0.268 471 K C -1.385 175.204 176.600 -0.018 0.000 0.983 471 K CA -0.452 55.820 56.287 -0.024 0.000 0.893 471 K CB 1.324 33.777 32.500 -0.078 0.000 1.066 471 K HN 0.720 nan 8.250 nan 0.000 0.450 472 Y N 1.924 122.091 120.300 -0.220 0.000 2.487 472 Y HA 0.736 5.286 4.550 0.001 0.000 0.337 472 Y C -0.914 174.821 175.900 -0.274 0.000 1.076 472 Y CA -1.180 56.659 58.100 -0.434 0.000 1.115 472 Y CB 1.075 39.163 38.460 -0.620 0.000 1.235 472 Y HN 0.341 nan 8.280 nan 0.000 0.468 473 I N 2.791 123.235 120.570 -0.210 0.000 2.692 473 I HA 0.354 4.525 4.170 0.001 0.000 0.293 473 I C -1.251 174.780 176.117 -0.144 0.000 1.200 473 I CA -0.986 60.202 61.300 -0.187 0.000 1.036 473 I CB 2.579 40.464 38.000 -0.191 0.000 1.258 473 I HN 0.713 nan 8.210 nan 0.000 0.421 474 K N 4.281 124.570 120.400 -0.186 0.000 2.270 474 K HA 0.466 4.787 4.320 0.001 0.000 0.255 474 K C -0.303 176.194 176.600 -0.172 0.000 0.936 474 K CA -0.644 55.461 56.287 -0.302 0.000 0.809 474 K CB 1.627 33.835 32.500 -0.486 0.000 1.131 474 K HN 0.341 nan 8.250 nan 0.000 0.427 475 K N 4.066 124.383 120.400 -0.138 0.000 2.514 475 K HA 0.083 4.403 4.320 0.001 0.000 0.207 475 K C -0.556 176.002 176.600 -0.071 0.000 1.035 475 K CA -0.269 55.964 56.287 -0.090 0.000 1.113 475 K CB -0.353 32.102 32.500 -0.075 0.000 0.846 475 K HN 0.731 nan 8.250 nan 0.000 0.491 476 K N 0.000 120.353 120.400 -0.078 0.000 2.780 476 K HA 0.000 4.320 4.320 0.001 0.000 0.191 476 K CA 0.000 56.257 56.287 -0.051 0.000 0.838 476 K CB 0.000 32.474 32.500 -0.044 0.000 1.064 476 K HN 0.000 nan 8.250 nan 0.000 0.543