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 1ke3_1_B DATA FIRST_RESID 4 DATA SEQUENCE APQQINDIVH RTITPLIEQQ KIPGMAVAVI YQGKPYYFTW GYADIAKKQP DATA SEQUENCE VTQQTLFELG SVSKTFTGVL GGDAIARGEI KLSDPTTKYW PELTAKQWNG DATA SEQUENCE ITLLHLATYT AGGLPLQVPD EVKSSSDLLR FYQNWQPAWA PGTQRLYANS DATA SEQUENCE SIGLFGALAV KPSGLSFEQA MQTRVFQPLK LNHTWINVPP AEEKNYAWGY DATA SEQUENCE REGKAVHVSP GALDAEAYGV KSTIEDMARW VQSNLKPLDI NEKTLQQGIQ DATA SEQUENCE LAQSRYWQTG DMYQGLGWEM LDWPVNPDSI INGSDNKIAL AARPVKAITP DATA SEQUENCE PTPAVRASWV HKTGATGGFG SYVAFIPEKE LGIVMLANKN YPNPARVDAA DATA SEQUENCE WQILNALQ 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 4 A HA 0.000 nan 4.320 nan 0.000 0.244 4 A C 0.000 177.481 177.584 -0.172 0.000 1.274 4 A CA 0.000 51.986 52.037 -0.084 0.000 0.836 4 A CB 0.000 18.948 19.000 -0.086 0.000 0.831 5 P HA 0.052 nan 4.420 nan 0.000 0.267 5 P C 1.039 178.238 177.300 -0.168 0.000 1.195 5 P CA 0.111 63.071 63.100 -0.234 0.000 0.773 5 P CB 0.526 32.018 31.700 -0.346 0.000 0.837 6 Q N 1.976 121.711 119.800 -0.109 0.000 2.096 6 Q HA -0.303 4.037 4.340 -0.000 0.000 0.204 6 Q C 2.212 178.161 176.000 -0.085 0.000 0.982 6 Q CA 2.374 58.134 55.803 -0.071 0.000 0.850 6 Q CB -0.540 28.169 28.738 -0.049 0.000 0.901 6 Q HN 0.527 nan 8.270 nan 0.000 0.422 7 Q N 0.824 120.546 119.800 -0.129 0.000 2.124 7 Q HA -0.108 4.232 4.340 -0.000 0.000 0.202 7 Q C 1.875 177.775 176.000 -0.168 0.000 0.977 7 Q CA 1.741 57.460 55.803 -0.140 0.000 0.850 7 Q CB -0.776 27.860 28.738 -0.170 0.000 0.901 7 Q HN 0.667 nan 8.270 nan 0.000 0.429 8 I N 0.473 120.899 120.570 -0.240 0.000 2.163 8 I HA -0.247 3.923 4.170 -0.000 0.000 0.240 8 I C 2.347 178.430 176.117 -0.056 0.000 1.081 8 I CA 1.544 62.722 61.300 -0.203 0.000 1.353 8 I CB -0.427 37.380 38.000 -0.320 0.000 1.054 8 I HN 0.497 nan 8.210 nan 0.000 0.407 9 N N 0.649 119.373 118.700 0.039 0.000 2.061 9 N HA -0.274 4.465 4.740 -0.000 0.000 0.193 9 N C 1.532 177.076 175.510 0.057 0.000 1.030 9 N CA 1.823 54.961 53.050 0.145 0.000 0.856 9 N CB -0.150 38.415 38.487 0.130 0.000 1.023 9 N HN 0.345 nan 8.380 nan 0.000 0.424 10 D N 0.663 121.073 120.400 0.017 0.000 2.084 10 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 10 D C 1.811 178.126 176.300 0.026 0.000 0.990 10 D CA 0.745 54.765 54.000 0.033 0.000 0.826 10 D CB -0.050 40.752 40.800 0.004 0.000 0.971 10 D HN 0.120 nan 8.370 nan 0.000 0.453 11 I N -0.264 120.288 120.570 -0.030 0.000 2.353 11 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 11 I C 2.057 178.138 176.117 -0.060 0.000 1.119 11 I CA 0.795 62.070 61.300 -0.042 0.000 1.417 11 I CB -0.192 37.773 38.000 -0.060 0.000 1.078 11 I HN -0.007 nan 8.210 nan 0.000 0.421 12 V N 0.199 120.039 119.914 -0.124 0.000 2.307 12 V HA -0.313 3.807 4.120 -0.000 0.000 0.245 12 V C 2.513 178.567 176.094 -0.066 0.000 1.045 12 V CA 2.253 64.433 62.300 -0.199 0.000 1.024 12 V CB -1.053 30.381 31.823 -0.649 0.000 0.651 12 V HN 0.558 nan 8.190 nan 0.000 0.449 13 H N 0.834 119.868 119.070 -0.059 0.000 2.290 13 H HA -0.130 4.426 4.556 -0.000 0.000 0.298 13 H C 2.443 177.768 175.328 -0.005 0.000 1.087 13 H CA 2.066 58.151 56.048 0.063 0.000 1.291 13 H CB -0.099 29.723 29.762 0.100 0.000 1.369 13 H HN 0.232 nan 8.280 nan 0.000 0.492 14 R N -0.959 119.510 120.500 -0.052 0.000 2.189 14 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 14 R C 1.752 177.973 176.300 -0.132 0.000 1.092 14 R CA 1.560 57.592 56.100 -0.113 0.000 0.989 14 R CB 0.114 30.404 30.300 -0.018 0.000 0.876 14 R HN 0.401 nan 8.270 nan 0.000 0.457 15 T N 0.466 114.950 114.554 -0.118 0.000 3.004 15 T HA 0.091 4.441 4.350 -0.000 0.000 0.243 15 T C 1.764 176.362 174.700 -0.169 0.000 1.020 15 T CA 0.322 62.361 62.100 -0.103 0.000 1.145 15 T CB 0.187 69.027 68.868 -0.046 0.000 0.876 15 T HN -0.020 nan 8.240 nan 0.000 0.449 16 I N 2.799 123.219 120.570 -0.251 0.000 2.233 16 I HA -0.092 4.078 4.170 -0.000 0.000 0.243 16 I C 3.023 178.788 176.117 -0.586 0.000 1.093 16 I CA 1.663 62.707 61.300 -0.426 0.000 1.380 16 I CB -1.899 35.725 38.000 -0.628 0.000 1.067 16 I HN 0.406 nan 8.210 nan 0.000 0.413 17 T N -0.074 114.110 114.554 -0.617 0.000 2.720 17 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 17 T C -0.278 174.206 174.700 -0.360 0.000 1.037 17 T CA 1.110 62.874 62.100 -0.560 0.000 1.144 17 T CB -1.893 66.687 68.868 -0.480 0.000 0.864 17 T HN 0.139 nan 8.240 nan 0.000 0.444 18 P HA 0.069 nan 4.420 nan 0.000 0.217 18 P C 1.771 178.961 177.300 -0.182 0.000 1.150 18 P CA 0.401 63.388 63.100 -0.190 0.000 0.832 18 P CB -0.239 31.374 31.700 -0.144 0.000 0.787 19 L N -0.726 120.371 121.223 -0.211 0.000 2.046 19 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 19 L C 2.122 178.830 176.870 -0.270 0.000 1.077 19 L CA 1.773 56.493 54.840 -0.199 0.000 0.747 19 L CB -1.071 40.877 42.059 -0.183 0.000 0.896 19 L HN -0.141 nan 8.230 nan 0.000 0.432 20 I N -0.471 119.898 120.570 -0.334 0.000 2.286 20 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 20 I C 2.587 178.570 176.117 -0.222 0.000 1.115 20 I CA 1.331 62.438 61.300 -0.321 0.000 1.392 20 I CB -0.437 37.336 38.000 -0.377 0.000 1.065 20 I HN 0.425 nan 8.210 nan 0.000 0.418 21 E N 0.941 121.027 120.200 -0.191 0.000 2.046 21 E HA -0.224 4.125 4.350 -0.000 0.000 0.190 21 E C 2.148 178.685 176.600 -0.106 0.000 0.982 21 E CA 1.467 57.790 56.400 -0.129 0.000 0.800 21 E CB -0.014 29.617 29.700 -0.114 0.000 0.756 21 E HN 0.517 nan 8.360 nan 0.000 0.449 22 Q N -0.265 119.470 119.800 -0.108 0.000 2.124 22 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 22 Q C 1.985 177.943 176.000 -0.070 0.000 0.977 22 Q CA 1.343 57.101 55.803 -0.075 0.000 0.850 22 Q CB 0.110 28.811 28.738 -0.062 0.000 0.901 22 Q HN 0.193 nan 8.270 nan 0.000 0.429 23 Q N -0.056 119.676 119.800 -0.114 0.000 2.356 23 Q HA 0.087 4.427 4.340 -0.000 0.000 0.205 23 Q C -0.314 175.625 176.000 -0.102 0.000 0.901 23 Q CA 0.152 55.890 55.803 -0.107 0.000 0.938 23 Q CB 0.713 29.316 28.738 -0.225 0.000 1.081 23 Q HN 0.174 nan 8.270 nan 0.000 0.517 24 K N 0.955 121.290 120.400 -0.109 0.000 3.419 24 K HA -0.164 4.156 4.320 -0.000 0.000 0.272 24 K C -0.733 175.815 176.600 -0.087 0.000 0.973 24 K CA 0.245 56.481 56.287 -0.085 0.000 0.749 24 K CB -1.717 30.752 32.500 -0.051 0.000 1.403 24 K HN 0.255 nan 8.250 nan 0.000 0.456 25 I N 0.652 121.144 120.570 -0.130 0.000 2.352 25 I HA 0.060 4.230 4.170 -0.000 0.000 0.290 25 I C -1.012 175.081 176.117 -0.040 0.000 1.036 25 I CA -2.315 58.926 61.300 -0.098 0.000 1.336 25 I CB 1.002 38.887 38.000 -0.191 0.000 1.407 25 I HN 0.059 nan 8.210 nan 0.000 0.497 26 P HA -0.080 nan 4.420 nan 0.000 0.214 26 P C 0.466 177.820 177.300 0.089 0.000 1.163 26 P CA 0.693 63.781 63.100 -0.020 0.000 0.883 26 P CB 0.238 31.840 31.700 -0.163 0.000 0.788 27 G N -1.591 107.323 108.800 0.190 0.000 2.612 27 G HA2 0.700 4.660 3.960 -0.000 0.000 0.298 27 G HA3 0.700 4.660 3.960 -0.000 0.000 0.298 27 G C -1.794 173.350 174.900 0.408 0.000 1.336 27 G CA -0.408 44.875 45.100 0.305 0.000 0.953 27 G HN 0.070 nan 8.290 nan 0.000 0.482 28 M N 1.111 120.995 119.600 0.474 0.000 2.365 28 M HA 0.681 5.161 4.480 -0.000 0.000 0.288 28 M C -1.551 175.085 176.300 0.559 0.000 1.152 28 M CA -0.513 55.062 55.300 0.457 0.000 0.948 28 M CB 2.137 34.914 32.600 0.295 0.000 1.729 28 M HN 0.996 nan 8.290 nan 0.000 0.487 29 A N 3.499 126.526 122.820 0.344 0.000 2.386 29 A HA 0.910 5.230 4.320 -0.000 0.000 0.311 29 A C -1.711 176.076 177.584 0.338 0.000 1.068 29 A CA -0.635 51.606 52.037 0.339 0.000 0.743 29 A CB 1.875 21.029 19.000 0.256 0.000 1.258 29 A HN 0.659 nan 8.150 nan 0.000 0.429 30 V N 0.725 120.922 119.914 0.472 0.000 2.760 30 V HA 0.787 4.907 4.120 -0.000 0.000 0.309 30 V C -0.025 176.383 176.094 0.523 0.000 1.077 30 V CA -0.202 62.388 62.300 0.483 0.000 0.910 30 V CB 1.878 34.049 31.823 0.581 0.000 1.008 30 V HN 1.466 nan 8.190 nan 0.000 0.424 31 A N 3.867 126.933 122.820 0.409 0.000 2.356 31 A HA 0.901 5.221 4.320 -0.000 0.000 0.310 31 A C -1.183 176.557 177.584 0.261 0.000 1.075 31 A CA -0.567 51.670 52.037 0.334 0.000 0.746 31 A CB 1.835 21.023 19.000 0.313 0.000 1.221 31 A HN 0.702 nan 8.150 nan 0.000 0.443 32 V N 3.500 123.567 119.914 0.256 0.000 2.409 32 V HA 0.349 4.469 4.120 -0.000 0.000 0.291 32 V C -0.836 175.379 176.094 0.201 0.000 1.020 32 V CA -0.316 62.128 62.300 0.240 0.000 0.848 32 V CB 1.255 33.260 31.823 0.304 0.000 0.990 32 V HN 0.726 nan 8.190 nan 0.000 0.430 33 I N 5.535 126.184 120.570 0.132 0.000 2.304 33 I HA 0.351 4.521 4.170 -0.000 0.000 0.291 33 I C -0.575 175.658 176.117 0.195 0.000 1.018 33 I CA -0.271 61.082 61.300 0.088 0.000 1.260 33 I CB 0.663 38.653 38.000 -0.017 0.000 1.390 33 I HN 0.615 nan 8.210 nan 0.000 0.475 34 Y N 5.585 125.964 120.300 0.132 0.000 2.326 34 Y HA 0.350 4.900 4.550 -0.000 0.000 0.329 34 Y C 0.158 176.113 175.900 0.091 0.000 0.973 34 Y CA -0.624 57.548 58.100 0.120 0.000 1.162 34 Y CB 0.939 39.496 38.460 0.161 0.000 1.147 34 Y HN 0.680 nan 8.280 nan 0.000 0.456 35 Q N 4.479 124.056 119.800 -0.372 0.000 2.468 35 Q HA -0.263 4.077 4.340 -0.000 0.000 0.289 35 Q C 1.075 176.990 176.000 -0.141 0.000 1.299 35 Q CA 1.073 56.683 55.803 -0.322 0.000 0.838 35 Q CB -1.697 26.805 28.738 -0.394 0.000 1.195 35 Q HN 1.362 nan 8.270 nan 0.000 0.456 36 G N -2.483 106.249 108.800 -0.114 0.000 2.184 36 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.264 36 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.264 36 G C 0.179 175.025 174.900 -0.091 0.000 0.975 36 G CA 0.949 45.987 45.100 -0.103 0.000 0.642 36 G HN 0.843 nan 8.290 nan 0.000 0.536 37 K N 1.308 121.671 120.400 -0.062 0.000 2.164 37 K HA 0.852 5.172 4.320 -0.000 0.000 0.258 37 K C -2.508 173.895 176.600 -0.329 0.000 0.951 37 K CA -1.402 54.779 56.287 -0.176 0.000 0.844 37 K CB 1.712 34.117 32.500 -0.159 0.000 1.099 37 K HN 0.266 nan 8.250 nan 0.000 0.435 38 P HA 0.412 nan 4.420 nan 0.000 0.290 38 P C -1.428 175.187 177.300 -1.142 0.000 1.276 38 P CA -0.313 62.400 63.100 -0.645 0.000 0.808 38 P CB 0.464 31.855 31.700 -0.514 0.000 0.966 39 Y N 1.578 121.553 120.300 -0.543 0.000 2.361 39 Y HA 0.412 4.962 4.550 -0.000 0.000 0.337 39 Y C 0.062 175.585 175.900 -0.629 0.000 0.965 39 Y CA -0.473 57.331 58.100 -0.495 0.000 1.091 39 Y CB 1.667 40.041 38.460 -0.144 0.000 1.182 39 Y HN 0.305 nan 8.280 nan 0.000 0.450 40 Y N 2.531 122.640 120.300 -0.318 0.000 2.457 40 Y HA 0.728 5.278 4.550 -0.000 0.000 0.333 40 Y C -0.873 174.531 175.900 -0.825 0.000 1.119 40 Y CA -1.211 56.688 58.100 -0.336 0.000 1.143 40 Y CB 1.541 39.898 38.460 -0.171 0.000 1.230 40 Y HN 0.384 nan 8.280 nan 0.000 0.469 41 F N -0.089 119.918 119.950 0.094 0.000 2.596 41 F HA 0.585 5.112 4.527 -0.000 0.000 0.311 41 F C -0.514 175.024 175.800 -0.436 0.000 1.116 41 F CA -0.925 56.894 58.000 -0.301 0.000 0.957 41 F CB 2.446 41.244 39.000 -0.338 0.000 1.250 41 F HN 0.403 nan 8.300 nan 0.000 0.444 42 T N -1.456 112.768 114.554 -0.550 0.000 2.909 42 T HA 0.700 5.050 4.350 -0.000 0.000 0.299 42 T C -1.596 172.857 174.700 -0.412 0.000 1.073 42 T CA -0.781 61.178 62.100 -0.235 0.000 0.999 42 T CB 2.018 70.872 68.868 -0.023 0.000 1.098 42 T HN 0.625 nan 8.240 nan 0.000 0.477 43 W N -0.009 121.377 121.300 0.143 0.000 3.118 43 W HA 0.523 5.183 4.660 -0.000 0.000 0.328 43 W C 0.758 177.290 176.519 0.022 0.000 1.239 43 W CA -0.187 57.199 57.345 0.068 0.000 1.176 43 W CB 1.539 31.037 29.460 0.063 0.000 1.433 43 W HN 1.382 nan 8.180 nan 0.000 0.562 44 G N 0.912 109.788 108.800 0.127 0.000 2.601 44 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 44 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 44 G C -1.605 173.197 174.900 -0.163 0.000 1.294 44 G CA -0.350 44.693 45.100 -0.095 0.000 0.912 44 G HN 0.535 nan 8.290 nan 0.000 0.574 45 Y N -0.092 120.286 120.300 0.130 0.000 2.429 45 Y HA 0.562 5.111 4.550 -0.000 0.000 0.342 45 Y C 1.376 177.373 175.900 0.161 0.000 1.004 45 Y CA -0.291 57.880 58.100 0.118 0.000 1.075 45 Y CB 2.013 40.511 38.460 0.064 0.000 1.214 45 Y HN 0.813 nan 8.280 nan 0.000 0.455 46 A N 0.877 123.901 122.820 0.341 0.000 1.970 46 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 46 A C 0.233 178.027 177.584 0.349 0.000 1.170 46 A CA 1.308 53.494 52.037 0.248 0.000 0.645 46 A CB 0.045 19.125 19.000 0.134 0.000 0.816 46 A HN 0.670 nan 8.150 nan 0.000 0.447 47 D N -1.009 119.596 120.400 0.342 0.000 2.476 47 D HA 0.389 5.029 4.640 -0.000 0.000 0.251 47 D C 0.666 177.056 176.300 0.149 0.000 1.291 47 D CA -0.460 53.759 54.000 0.365 0.000 0.939 47 D CB 0.726 41.716 40.800 0.316 0.000 1.221 47 D HN 0.133 nan 8.370 nan 0.000 0.567 48 I N 2.323 122.972 120.570 0.132 0.000 2.113 48 I HA -0.237 3.933 4.170 -0.000 0.000 0.238 48 I C 2.534 178.542 176.117 -0.181 0.000 1.070 48 I CA 1.295 62.519 61.300 -0.126 0.000 1.332 48 I CB -0.254 37.593 38.000 -0.255 0.000 1.044 48 I HN 0.456 nan 8.210 nan 0.000 0.402 49 A N 0.865 123.632 122.820 -0.089 0.000 1.927 49 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 49 A C 2.176 179.683 177.584 -0.129 0.000 1.185 49 A CA 1.865 53.837 52.037 -0.110 0.000 0.639 49 A CB -0.528 18.409 19.000 -0.105 0.000 0.820 49 A HN 0.400 nan 8.150 nan 0.000 0.451 50 K N -0.724 119.611 120.400 -0.108 0.000 2.458 50 K HA 0.091 4.411 4.320 -0.000 0.000 0.194 50 K C -0.330 176.153 176.600 -0.195 0.000 1.024 50 K CA 0.091 56.319 56.287 -0.099 0.000 1.108 50 K CB 0.102 32.595 32.500 -0.012 0.000 0.846 50 K HN 0.436 nan 8.250 nan 0.000 0.518 51 K N 0.383 120.518 120.400 -0.441 0.000 3.078 51 K HA -0.234 4.086 4.320 -0.000 0.000 0.261 51 K C -0.033 176.333 176.600 -0.390 0.000 0.947 51 K CA 0.860 56.589 56.287 -0.930 0.000 0.702 51 K CB -1.874 30.285 32.500 -0.569 0.000 1.318 51 K HN 0.426 nan 8.250 nan 0.000 0.473 52 Q N 0.907 120.644 119.800 -0.105 0.000 2.296 52 Q HA 0.308 4.648 4.340 -0.000 0.000 0.257 52 Q C -2.189 174.028 176.000 0.361 0.000 0.942 52 Q CA -1.893 53.990 55.803 0.134 0.000 0.939 52 Q CB 0.213 29.018 28.738 0.113 0.000 1.198 52 Q HN 0.086 nan 8.270 nan 0.000 0.429 53 P HA 0.262 nan 4.420 nan 0.000 0.274 53 P C -0.483 176.936 177.300 0.198 0.000 1.237 53 P CA -0.267 63.012 63.100 0.298 0.000 0.793 53 P CB 1.032 32.840 31.700 0.180 0.000 0.977 54 V N 2.351 122.375 119.914 0.183 0.000 2.555 54 V HA 0.273 4.393 4.120 -0.000 0.000 0.286 54 V C 1.196 177.373 176.094 0.138 0.000 1.044 54 V CA 0.625 63.044 62.300 0.198 0.000 1.026 54 V CB 0.469 32.481 31.823 0.315 0.000 0.981 54 V HN 0.894 nan 8.190 nan 0.000 0.480 55 T N 1.504 116.126 114.554 0.113 0.000 2.831 55 T HA 0.353 4.703 4.350 -0.000 0.000 0.287 55 T C 0.346 175.070 174.700 0.040 0.000 1.070 55 T CA -0.766 61.363 62.100 0.048 0.000 1.010 55 T CB 1.723 70.596 68.868 0.009 0.000 1.264 55 T HN 0.455 nan 8.240 nan 0.000 0.532 56 Q N -0.176 119.590 119.800 -0.056 0.000 2.515 56 Q HA 0.088 4.428 4.340 -0.000 0.000 0.212 56 Q C 1.981 177.900 176.000 -0.136 0.000 0.970 56 Q CA 1.000 56.718 55.803 -0.142 0.000 0.941 56 Q CB -0.235 28.309 28.738 -0.324 0.000 0.998 56 Q HN 0.868 nan 8.270 nan 0.000 0.518 57 Q N 0.309 120.049 119.800 -0.100 0.000 2.217 57 Q HA 0.103 4.442 4.340 -0.000 0.000 0.217 57 Q C 0.663 176.625 176.000 -0.064 0.000 0.844 57 Q CA 0.082 55.792 55.803 -0.155 0.000 0.957 57 Q CB 0.410 29.033 28.738 -0.192 0.000 1.127 57 Q HN 0.162 nan 8.270 nan 0.000 0.503 58 T N 1.971 116.534 114.554 0.016 0.000 2.870 58 T HA 0.469 4.819 4.350 -0.000 0.000 0.300 58 T C 0.152 174.859 174.700 0.011 0.000 0.989 58 T CA -0.112 61.984 62.100 -0.007 0.000 1.139 58 T CB 0.204 69.056 68.868 -0.027 0.000 0.920 58 T HN 0.472 nan 8.240 nan 0.000 0.537 59 L N 4.174 125.363 121.223 -0.056 0.000 2.292 59 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 59 L C -0.667 176.157 176.870 -0.076 0.000 1.065 59 L CA -0.503 54.330 54.840 -0.012 0.000 0.806 59 L CB 0.557 42.552 42.059 -0.106 0.000 1.175 59 L HN 0.562 nan 8.230 nan 0.000 0.431 60 F N 0.631 120.595 119.950 0.024 0.000 2.538 60 F HA 0.354 4.881 4.527 -0.000 0.000 0.325 60 F C 0.418 175.994 175.800 -0.374 0.000 1.066 60 F CA -0.917 57.038 58.000 -0.076 0.000 0.946 60 F CB 1.422 40.528 39.000 0.177 0.000 1.199 60 F HN 0.375 nan 8.300 nan 0.000 0.473 61 E N 2.726 122.473 120.200 -0.754 0.000 2.257 61 E HA 0.168 4.518 4.350 -0.000 0.000 0.278 61 E C 0.451 176.977 176.600 -0.124 0.000 1.049 61 E CA -0.068 56.050 56.400 -0.470 0.000 0.876 61 E CB 0.971 30.311 29.700 -0.601 0.000 1.035 61 E HN 0.630 nan 8.360 nan 0.000 0.419 62 L N 2.765 123.985 121.223 -0.005 0.000 2.418 62 L HA 0.043 4.382 4.340 -0.000 0.000 0.218 62 L C 1.406 178.373 176.870 0.162 0.000 1.125 62 L CA 0.553 55.456 54.840 0.104 0.000 0.835 62 L CB -0.806 41.305 42.059 0.087 0.000 0.953 62 L HN 0.907 nan 8.230 nan 0.000 0.454 63 G N 0.346 109.247 108.800 0.169 0.000 2.574 63 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.286 63 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.286 63 G C 0.773 175.831 174.900 0.263 0.000 1.212 63 G CA 0.297 45.534 45.100 0.229 0.000 0.979 63 G HN 0.182 nan 8.290 nan 0.000 0.557 64 S N -0.181 115.673 115.700 0.257 0.000 2.547 64 S HA 0.057 4.526 4.470 -0.000 0.000 0.235 64 S C 2.343 177.083 174.600 0.233 0.000 0.980 64 S CA 1.203 59.571 58.200 0.280 0.000 0.941 64 S CB -0.073 63.334 63.200 0.345 0.000 0.763 64 S HN 0.757 nan 8.310 nan 0.000 0.532 65 V N 1.671 121.709 119.914 0.207 0.000 2.867 65 V HA -0.139 3.981 4.120 -0.000 0.000 0.260 65 V C 2.104 178.323 176.094 0.208 0.000 1.099 65 V CA 1.422 63.825 62.300 0.172 0.000 1.122 65 V CB -0.763 31.185 31.823 0.209 0.000 0.708 65 V HN 0.461 nan 8.190 nan 0.000 0.490 66 S N -0.277 115.562 115.700 0.232 0.000 2.399 66 S HA -0.217 4.253 4.470 -0.000 0.000 0.231 66 S C 1.915 176.679 174.600 0.272 0.000 1.022 66 S CA 1.211 59.571 58.200 0.266 0.000 0.983 66 S CB -0.251 63.040 63.200 0.152 0.000 0.803 66 S HN 0.635 nan 8.310 nan 0.000 0.480 67 K N 0.948 121.469 120.400 0.202 0.000 2.211 67 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 67 K C 2.454 179.100 176.600 0.077 0.000 1.047 67 K CA 1.643 58.035 56.287 0.175 0.000 0.935 67 K CB -0.496 32.136 32.500 0.219 0.000 0.728 67 K HN 0.627 nan 8.250 nan 0.000 0.452 68 T N -1.367 113.128 114.554 -0.098 0.000 2.904 68 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 68 T C 1.737 176.440 174.700 0.004 0.000 1.059 68 T CA 0.759 62.619 62.100 -0.399 0.000 1.137 68 T CB -0.343 67.773 68.868 -1.253 0.000 0.879 68 T HN 0.031 nan 8.240 nan 0.000 0.467 69 F N 2.117 122.115 119.950 0.081 0.000 2.146 69 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 69 F C 2.999 178.859 175.800 0.100 0.000 1.096 69 F CA 1.345 59.361 58.000 0.027 0.000 1.275 69 F CB -1.009 37.874 39.000 -0.195 0.000 1.008 69 F HN 0.140 nan 8.300 nan 0.000 0.480 70 T N -0.615 114.132 114.554 0.322 0.000 2.777 70 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 70 T C 2.362 177.245 174.700 0.304 0.000 1.040 70 T CA 1.350 63.648 62.100 0.329 0.000 1.141 70 T CB -0.970 68.101 68.868 0.339 0.000 0.868 70 T HN 0.435 nan 8.240 nan 0.000 0.444 71 G N 1.005 109.961 108.800 0.261 0.000 2.421 71 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.216 71 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.216 71 G C 1.681 176.746 174.900 0.275 0.000 1.171 71 G CA 0.857 46.115 45.100 0.262 0.000 0.775 71 G HN 0.438 nan 8.290 nan 0.000 0.543 72 V N 0.580 120.659 119.914 0.276 0.000 2.427 72 V HA -0.080 4.040 4.120 -0.000 0.000 0.248 72 V C 2.647 178.855 176.094 0.189 0.000 1.051 72 V CA 1.444 63.906 62.300 0.270 0.000 1.048 72 V CB -0.274 31.783 31.823 0.390 0.000 0.666 72 V HN 0.342 nan 8.190 nan 0.000 0.456 73 L N 1.389 122.700 121.223 0.147 0.000 2.046 73 L HA -0.006 4.334 4.340 -0.000 0.000 0.208 73 L C 2.308 179.187 176.870 0.014 0.000 1.077 73 L CA 2.419 57.270 54.840 0.017 0.000 0.747 73 L CB -1.236 40.760 42.059 -0.105 0.000 0.896 73 L HN 0.257 nan 8.230 nan 0.000 0.432 74 G N -1.138 107.716 108.800 0.090 0.000 2.402 74 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 74 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 74 G C 1.528 176.523 174.900 0.159 0.000 1.162 74 G CA 0.520 45.668 45.100 0.079 0.000 0.777 74 G HN 0.584 nan 8.290 nan 0.000 0.539 75 G N 0.667 109.585 108.800 0.197 0.000 2.442 75 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.219 75 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.219 75 G C 1.442 176.399 174.900 0.095 0.000 1.141 75 G CA 1.406 46.601 45.100 0.159 0.000 0.763 75 G HN 0.506 nan 8.290 nan 0.000 0.554 76 D N 0.555 120.997 120.400 0.069 0.000 2.117 76 D HA 0.020 4.660 4.640 -0.000 0.000 0.197 76 D C 2.660 178.962 176.300 0.004 0.000 0.987 76 D CA 1.472 55.489 54.000 0.029 0.000 0.829 76 D CB -0.278 40.527 40.800 0.009 0.000 0.961 76 D HN 0.245 nan 8.370 nan 0.000 0.460 77 A N -0.047 122.763 122.820 -0.017 0.000 1.972 77 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 77 A C 2.329 179.903 177.584 -0.016 0.000 1.169 77 A CA 0.986 52.994 52.037 -0.048 0.000 0.635 77 A CB -0.706 18.225 19.000 -0.115 0.000 0.810 77 A HN 0.394 nan 8.150 nan 0.000 0.446 78 I N -0.329 120.255 120.570 0.024 0.000 2.202 78 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 78 I C 2.963 179.103 176.117 0.038 0.000 1.091 78 I CA 1.016 62.345 61.300 0.047 0.000 1.368 78 I CB -0.353 37.699 38.000 0.086 0.000 1.058 78 I HN 0.341 nan 8.210 nan 0.000 0.410 79 A N 0.829 123.671 122.820 0.036 0.000 1.940 79 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 79 A C 2.302 179.895 177.584 0.014 0.000 1.176 79 A CA 1.517 53.569 52.037 0.026 0.000 0.631 79 A CB -0.587 18.427 19.000 0.025 0.000 0.814 79 A HN 0.345 nan 8.150 nan 0.000 0.446 80 R N -1.457 119.046 120.500 0.005 0.000 2.307 80 R HA 0.147 4.487 4.340 -0.000 0.000 0.199 80 R C 1.303 177.605 176.300 0.004 0.000 1.000 80 R CA 0.555 56.653 56.100 -0.003 0.000 1.023 80 R CB -0.212 30.078 30.300 -0.017 0.000 0.908 80 R HN 0.720 nan 8.270 nan 0.000 0.473 81 G N 0.927 109.735 108.800 0.014 0.000 2.143 81 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.248 81 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.248 81 G C 0.473 175.389 174.900 0.028 0.000 0.991 81 G CA 0.533 45.648 45.100 0.024 0.000 0.689 81 G HN 0.458 nan 8.290 nan 0.000 0.522 82 E N -0.680 119.526 120.200 0.009 0.000 2.190 82 E HA 0.290 4.640 4.350 -0.000 0.000 0.191 82 E C 1.487 178.096 176.600 0.015 0.000 0.978 82 E CA 1.093 57.495 56.400 0.004 0.000 0.839 82 E CB 0.245 29.920 29.700 -0.042 0.000 0.787 82 E HN 0.900 nan 8.360 nan 0.000 0.473 83 I N -2.571 117.995 120.570 -0.008 0.000 3.191 83 I HA 0.497 4.666 4.170 -0.000 0.000 0.313 83 I C -1.473 174.696 176.117 0.087 0.000 1.193 83 I CA -1.313 59.989 61.300 0.004 0.000 0.968 83 I CB 2.283 40.131 38.000 -0.252 0.000 1.262 83 I HN -0.345 nan 8.210 nan 0.000 0.456 84 K N 2.617 123.114 120.400 0.161 0.000 2.468 84 K HA 0.483 4.803 4.320 -0.000 0.000 0.252 84 K C -0.082 176.613 176.600 0.158 0.000 0.932 84 K CA -0.777 55.594 56.287 0.140 0.000 0.794 84 K CB 2.955 35.534 32.500 0.132 0.000 1.241 84 K HN 0.604 nan 8.250 nan 0.000 0.428 85 L N 1.131 122.422 121.223 0.114 0.000 2.456 85 L HA -0.156 4.184 4.340 -0.000 0.000 0.224 85 L C 1.902 178.807 176.870 0.058 0.000 1.148 85 L CA 1.262 56.146 54.840 0.073 0.000 0.825 85 L CB -0.312 41.729 42.059 -0.029 0.000 0.937 85 L HN 0.729 nan 8.230 nan 0.000 0.450 86 S N -2.954 112.792 115.700 0.077 0.000 2.528 86 S HA 0.024 4.494 4.470 -0.000 0.000 0.219 86 S C 0.597 175.258 174.600 0.102 0.000 0.985 86 S CA -0.372 57.867 58.200 0.066 0.000 0.914 86 S CB -0.221 63.014 63.200 0.058 0.000 0.776 86 S HN 0.217 nan 8.310 nan 0.000 0.526 87 D N 4.407 124.899 120.400 0.154 0.000 2.382 87 D HA 0.274 4.914 4.640 -0.000 0.000 0.245 87 D C -2.340 174.069 176.300 0.181 0.000 1.120 87 D CA -1.429 52.671 54.000 0.167 0.000 0.890 87 D CB 0.783 41.745 40.800 0.270 0.000 1.201 87 D HN 0.224 nan 8.370 nan 0.000 0.433 88 P HA 0.012 nan 4.420 nan 0.000 0.272 88 P C 0.620 178.038 177.300 0.196 0.000 1.223 88 P CA -0.216 62.984 63.100 0.167 0.000 0.784 88 P CB 0.707 32.480 31.700 0.121 0.000 0.923 89 T N 0.750 115.463 114.554 0.264 0.000 2.720 89 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 89 T C 1.665 176.472 174.700 0.179 0.000 1.037 89 T CA 2.112 64.374 62.100 0.270 0.000 1.144 89 T CB -0.982 68.066 68.868 0.300 0.000 0.864 89 T HN 0.510 nan 8.240 nan 0.000 0.444 90 T N 1.494 116.114 114.554 0.110 0.000 2.929 90 T HA -0.079 4.271 4.350 -0.000 0.000 0.271 90 T C 1.840 176.530 174.700 -0.017 0.000 1.085 90 T CA 1.041 63.161 62.100 0.033 0.000 1.125 90 T CB -0.168 68.713 68.868 0.022 0.000 0.874 90 T HN 0.458 nan 8.240 nan 0.000 0.494 91 K N 0.306 120.634 120.400 -0.121 0.000 2.147 91 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 91 K C 0.930 177.244 176.600 -0.476 0.000 1.049 91 K CA 1.359 57.427 56.287 -0.365 0.000 0.936 91 K CB -0.086 32.040 32.500 -0.624 0.000 0.722 91 K HN 0.422 nan 8.250 nan 0.000 0.446 92 Y N -2.390 117.954 120.300 0.073 0.000 2.507 92 Y HA 0.156 4.706 4.550 -0.000 0.000 0.254 92 Y C -0.074 175.888 175.900 0.102 0.000 1.171 92 Y CA -0.571 57.558 58.100 0.049 0.000 1.238 92 Y CB 0.581 39.043 38.460 0.003 0.000 1.148 92 Y HN 0.143 nan 8.280 nan 0.000 0.525 93 W N 1.779 123.069 121.300 -0.017 0.000 1.608 93 W HA 0.394 5.053 4.660 -0.000 0.000 0.308 93 W C -2.546 173.920 176.519 -0.088 0.000 0.925 93 W CA -3.442 53.862 57.345 -0.068 0.000 1.614 93 W CB 0.750 30.126 29.460 -0.140 0.000 1.796 93 W HN -0.087 nan 8.180 nan 0.000 0.407 94 P HA -0.256 nan 4.420 nan 0.000 0.217 94 P C 1.175 178.451 177.300 -0.041 0.000 1.148 94 P CA 2.158 65.279 63.100 0.036 0.000 0.834 94 P CB 0.488 32.215 31.700 0.045 0.000 0.783 95 E N -1.228 118.945 120.200 -0.045 0.000 2.268 95 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 95 E C 0.654 176.991 176.600 -0.438 0.000 0.995 95 E CA 0.343 56.631 56.400 -0.187 0.000 0.836 95 E CB -0.739 28.918 29.700 -0.071 0.000 0.763 95 E HN 0.151 nan 8.360 nan 0.000 0.491 96 L N 1.749 122.561 121.223 -0.685 0.000 2.395 96 L HA 0.090 4.430 4.340 -0.000 0.000 0.268 96 L C 0.770 177.432 176.870 -0.347 0.000 1.223 96 L CA 0.442 54.825 54.840 -0.762 0.000 1.093 96 L CB -0.210 41.186 42.059 -1.104 0.000 1.349 96 L HN 0.057 nan 8.230 nan 0.000 0.427 97 T N -0.289 114.140 114.554 -0.209 0.000 3.044 97 T HA 0.340 4.690 4.350 -0.000 0.000 0.250 97 T C 0.924 175.633 174.700 0.016 0.000 1.081 97 T CA 0.222 62.280 62.100 -0.069 0.000 1.040 97 T CB -0.005 68.828 68.868 -0.058 0.000 0.962 97 T HN 0.535 nan 8.240 nan 0.000 0.506 98 A N 2.902 125.754 122.820 0.053 0.000 2.540 98 A HA 0.255 4.575 4.320 -0.000 0.000 0.239 98 A C 1.691 179.388 177.584 0.188 0.000 1.061 98 A CA 0.012 52.130 52.037 0.135 0.000 0.758 98 A CB 0.167 19.291 19.000 0.207 0.000 0.991 98 A HN 0.661 nan 8.150 nan 0.000 0.502 99 K N 2.064 122.522 120.400 0.096 0.000 2.218 99 K HA -0.253 4.067 4.320 -0.000 0.000 0.205 99 K C 1.367 178.000 176.600 0.054 0.000 1.046 99 K CA 1.708 58.035 56.287 0.067 0.000 0.933 99 K CB -0.091 32.421 32.500 0.020 0.000 0.728 99 K HN 0.819 nan 8.250 nan 0.000 0.454 100 Q N 0.137 119.945 119.800 0.013 0.000 2.488 100 Q HA -0.136 4.204 4.340 -0.000 0.000 0.211 100 Q C 0.721 176.618 176.000 -0.172 0.000 0.967 100 Q CA 0.970 56.695 55.803 -0.131 0.000 0.926 100 Q CB -0.349 28.211 28.738 -0.297 0.000 0.992 100 Q HN 0.595 nan 8.270 nan 0.000 0.506 101 W N 1.478 122.825 121.300 0.079 0.000 3.139 101 W HA 0.208 4.868 4.660 -0.000 0.000 0.260 101 W C 1.897 178.469 176.519 0.089 0.000 1.312 101 W CA -0.258 57.154 57.345 0.111 0.000 1.606 101 W CB -0.088 29.413 29.460 0.069 0.000 1.118 101 W HN 0.192 nan 8.180 nan 0.000 0.675 102 N N 0.521 119.344 118.700 0.206 0.000 2.103 102 N HA -0.191 4.549 4.740 -0.000 0.000 0.200 102 N C 1.597 177.201 175.510 0.156 0.000 1.016 102 N CA 2.267 55.407 53.050 0.151 0.000 0.890 102 N CB -0.768 37.772 38.487 0.089 0.000 1.075 102 N HN 0.228 nan 8.380 nan 0.000 0.506 103 G N -0.016 108.865 108.800 0.135 0.000 3.523 103 G HA2 0.318 4.277 3.960 -0.000 0.000 0.270 103 G HA3 0.318 4.277 3.960 -0.000 0.000 0.270 103 G C 0.351 175.401 174.900 0.251 0.000 1.134 103 G CA -0.372 44.830 45.100 0.170 0.000 0.825 103 G HN 0.198 nan 8.290 nan 0.000 0.534 104 I N 2.837 123.570 120.570 0.273 0.000 2.337 104 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 104 I C 0.933 177.340 176.117 0.483 0.000 1.046 104 I CA -0.369 61.166 61.300 0.391 0.000 1.324 104 I CB 1.083 39.254 38.000 0.285 0.000 1.409 104 I HN 0.088 nan 8.210 nan 0.000 0.494 105 T N 3.100 117.998 114.554 0.573 0.000 2.923 105 T HA 0.442 4.792 4.350 -0.000 0.000 0.281 105 T C 1.231 176.069 174.700 0.229 0.000 0.995 105 T CA -0.868 61.392 62.100 0.267 0.000 0.985 105 T CB 1.466 70.369 68.868 0.058 0.000 1.114 105 T HN 0.417 nan 8.240 nan 0.000 0.548 106 L N 0.187 121.535 121.223 0.208 0.000 2.131 106 L HA -0.003 4.337 4.340 -0.000 0.000 0.210 106 L C 2.561 179.439 176.870 0.014 0.000 1.092 106 L CA 0.915 55.902 54.840 0.244 0.000 0.759 106 L CB -0.786 41.483 42.059 0.350 0.000 0.903 106 L HN 0.612 nan 8.230 nan 0.000 0.435 107 L N -0.296 120.876 121.223 -0.084 0.000 2.012 107 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 107 L C 2.403 179.205 176.870 -0.112 0.000 1.073 107 L CA 1.962 56.669 54.840 -0.221 0.000 0.748 107 L CB -0.619 41.320 42.059 -0.200 0.000 0.891 107 L HN 0.219 nan 8.230 nan 0.000 0.431 108 H N -0.916 118.211 119.070 0.095 0.000 2.319 108 H HA -0.171 4.385 4.556 -0.000 0.000 0.299 108 H C 2.238 177.564 175.328 -0.004 0.000 1.092 108 H CA 1.889 57.987 56.048 0.082 0.000 1.302 108 H CB -0.215 29.619 29.762 0.120 0.000 1.373 108 H HN 0.326 nan 8.280 nan 0.000 0.497 109 L N 0.058 121.366 121.223 0.143 0.000 2.017 109 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 109 L C 2.788 179.600 176.870 -0.095 0.000 1.073 109 L CA 0.918 55.814 54.840 0.093 0.000 0.745 109 L CB -0.540 41.640 42.059 0.201 0.000 0.894 109 L HN 0.350 nan 8.230 nan 0.000 0.432 110 A N -0.434 122.154 122.820 -0.387 0.000 2.121 110 A HA -0.139 4.181 4.320 -0.000 0.000 0.218 110 A C 1.975 179.184 177.584 -0.624 0.000 1.154 110 A CA 1.889 53.464 52.037 -0.770 0.000 0.679 110 A CB -0.641 17.365 19.000 -1.657 0.000 0.795 110 A HN 0.542 nan 8.150 nan 0.000 0.458 111 T N -6.614 107.667 114.554 -0.454 0.000 3.132 111 T HA 0.330 4.680 4.350 -0.000 0.000 0.274 111 T C 0.306 174.758 174.700 -0.412 0.000 1.011 111 T CA 0.234 62.054 62.100 -0.467 0.000 0.899 111 T CB -0.833 68.038 68.868 0.004 0.000 1.089 111 T HN 0.686 nan 8.240 nan 0.000 0.543 112 Y N 0.843 121.143 120.300 0.001 0.000 4.490 112 Y HA -0.286 4.264 4.550 -0.000 0.000 0.233 112 Y C 1.202 177.075 175.900 -0.045 0.000 1.101 112 Y CA 0.562 58.665 58.100 0.005 0.000 2.010 112 Y CB -2.871 35.616 38.460 0.046 0.000 1.622 112 Y HN 0.598 nan 8.280 nan 0.000 0.675 113 T N -3.949 110.603 114.554 -0.004 0.000 3.215 113 T HA 0.670 5.020 4.350 -0.000 0.000 0.271 113 T C 1.258 175.937 174.700 -0.036 0.000 1.012 113 T CA 0.137 62.155 62.100 -0.136 0.000 0.899 113 T CB 0.824 69.351 68.868 -0.568 0.000 1.089 113 T HN 0.465 nan 8.240 nan 0.000 0.552 114 A N 1.179 124.033 122.820 0.057 0.000 2.119 114 A HA 0.587 4.907 4.320 -0.000 0.000 0.217 114 A C 1.832 179.476 177.584 0.099 0.000 1.153 114 A CA 0.490 52.535 52.037 0.013 0.000 0.692 114 A CB -0.787 18.216 19.000 0.005 0.000 0.799 114 A HN 1.511 nan 8.150 nan 0.000 0.458 115 G N -2.887 106.050 108.800 0.229 0.000 2.245 115 G HA2 0.392 4.351 3.960 -0.000 0.000 0.130 115 G HA3 0.392 4.351 3.960 -0.000 0.000 0.130 115 G C 0.995 176.244 174.900 0.581 0.000 1.040 115 G CA 0.355 45.697 45.100 0.404 0.000 0.713 115 G HN 1.976 nan 8.290 nan 0.000 0.488 116 G N -1.117 108.059 108.800 0.628 0.000 2.135 116 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.183 116 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.183 116 G C 0.461 175.679 174.900 0.530 0.000 1.004 116 G CA 0.019 45.445 45.100 0.544 0.000 0.677 116 G HN 1.291 nan 8.290 nan 0.000 0.512 117 L N 2.396 123.797 121.223 0.297 0.000 2.490 117 L HA 0.256 4.596 4.340 -0.000 0.000 0.274 117 L C -0.773 176.201 176.870 0.173 0.000 1.201 117 L CA -1.286 53.525 54.840 -0.048 0.000 0.869 117 L CB 0.385 42.303 42.059 -0.234 0.000 1.123 117 L HN 0.087 nan 8.230 nan 0.000 0.484 118 P HA -0.078 nan 4.420 nan 0.000 0.269 118 P C 0.569 177.933 177.300 0.107 0.000 1.215 118 P CA -0.452 62.763 63.100 0.191 0.000 0.780 118 P CB 0.936 32.771 31.700 0.226 0.000 0.898 119 L N 1.481 122.748 121.223 0.073 0.000 2.013 119 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 119 L C 1.108 177.971 176.870 -0.012 0.000 1.073 119 L CA 1.937 56.783 54.840 0.010 0.000 0.753 119 L CB -0.947 41.135 42.059 0.038 0.000 0.890 119 L HN 0.593 nan 8.230 nan 0.000 0.432 120 Q N -1.307 118.492 119.800 -0.001 0.000 2.413 120 Q HA 0.529 4.869 4.340 -0.000 0.000 0.276 120 Q C -0.976 174.966 176.000 -0.097 0.000 1.099 120 Q CA -1.063 54.723 55.803 -0.030 0.000 0.814 120 Q CB 1.843 30.557 28.738 -0.039 0.000 1.379 120 Q HN -0.059 nan 8.270 nan 0.000 0.436 121 V N 2.460 122.281 119.914 -0.154 0.000 2.555 121 V HA 0.212 4.332 4.120 -0.000 0.000 0.286 121 V C -2.029 173.858 176.094 -0.345 0.000 1.044 121 V CA -1.359 60.689 62.300 -0.419 0.000 1.026 121 V CB 0.473 32.104 31.823 -0.320 0.000 0.981 121 V HN 0.738 nan 8.190 nan 0.000 0.480 122 P HA 0.011 nan 4.420 nan 0.000 0.264 122 P C 0.681 177.883 177.300 -0.164 0.000 1.183 122 P CA 0.133 63.093 63.100 -0.233 0.000 0.763 122 P CB 0.399 31.971 31.700 -0.213 0.000 0.807 123 D N 2.479 122.828 120.400 -0.086 0.000 2.203 123 D HA -0.196 4.444 4.640 -0.000 0.000 0.199 123 D C 0.993 177.268 176.300 -0.042 0.000 0.997 123 D CA 1.502 55.473 54.000 -0.048 0.000 0.863 123 D CB 0.096 40.884 40.800 -0.021 0.000 0.928 123 D HN 0.535 nan 8.370 nan 0.000 0.458 124 E N 0.046 120.219 120.200 -0.045 0.000 2.418 124 E HA -0.010 4.340 4.350 -0.000 0.000 0.197 124 E C 0.304 176.887 176.600 -0.028 0.000 1.026 124 E CA -0.033 56.352 56.400 -0.025 0.000 0.862 124 E CB 0.300 29.993 29.700 -0.011 0.000 0.799 124 E HN 0.023 nan 8.360 nan 0.000 0.518 125 V N 1.521 121.395 119.914 -0.065 0.000 2.455 125 V HA 0.081 4.201 4.120 -0.000 0.000 0.273 125 V C 0.838 176.914 176.094 -0.030 0.000 1.045 125 V CA 0.496 62.763 62.300 -0.056 0.000 0.976 125 V CB 1.170 32.909 31.823 -0.141 0.000 0.993 125 V HN 0.158 nan 8.190 nan 0.000 0.475 126 K N 2.034 122.434 120.400 -0.000 0.000 2.590 126 K HA 0.160 4.480 4.320 -0.000 0.000 0.218 126 K C 0.521 177.130 176.600 0.016 0.000 1.536 126 K CA 0.054 56.344 56.287 0.005 0.000 1.013 126 K CB 1.133 33.637 32.500 0.006 0.000 1.265 126 K HN 0.701 nan 8.250 nan 0.000 0.603 127 S N -0.633 115.086 115.700 0.031 0.000 2.664 127 S HA 0.320 4.790 4.470 -0.000 0.000 0.304 127 S C 0.906 175.543 174.600 0.061 0.000 1.099 127 S CA -0.653 57.570 58.200 0.038 0.000 1.003 127 S CB 1.886 65.110 63.200 0.041 0.000 1.092 127 S HN -0.037 nan 8.310 nan 0.000 0.525 128 S N 1.344 117.079 115.700 0.059 0.000 2.399 128 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 128 S C 1.925 176.616 174.600 0.152 0.000 1.022 128 S CA 1.538 59.789 58.200 0.086 0.000 0.983 128 S CB -0.602 62.630 63.200 0.055 0.000 0.803 128 S HN 0.720 nan 8.310 nan 0.000 0.480 129 S N 1.680 117.450 115.700 0.118 0.000 2.371 129 S HA -0.083 4.387 4.470 -0.000 0.000 0.224 129 S C 1.503 176.183 174.600 0.134 0.000 1.029 129 S CA 1.008 59.282 58.200 0.123 0.000 0.978 129 S CB -0.407 62.842 63.200 0.082 0.000 0.833 129 S HN 0.443 nan 8.310 nan 0.000 0.466 130 D N 1.356 121.824 120.400 0.114 0.000 2.117 130 D HA -0.054 4.586 4.640 -0.000 0.000 0.197 130 D C 1.856 178.259 176.300 0.172 0.000 0.987 130 D CA 0.563 54.630 54.000 0.113 0.000 0.829 130 D CB -0.413 40.429 40.800 0.070 0.000 0.961 130 D HN 0.160 nan 8.370 nan 0.000 0.460 131 L N 0.439 121.787 121.223 0.208 0.000 2.017 131 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 131 L C 2.172 179.340 176.870 0.497 0.000 1.073 131 L CA 1.171 56.209 54.840 0.331 0.000 0.745 131 L CB -0.697 41.560 42.059 0.329 0.000 0.894 131 L HN 0.031 nan 8.230 nan 0.000 0.432 132 L N -0.440 121.056 121.223 0.455 0.000 2.017 132 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 132 L C 2.733 179.664 176.870 0.101 0.000 1.073 132 L CA 1.871 56.874 54.840 0.270 0.000 0.745 132 L CB -0.650 41.535 42.059 0.210 0.000 0.894 132 L HN 0.295 nan 8.230 nan 0.000 0.432 133 R N -1.376 119.202 120.500 0.131 0.000 2.081 133 R HA -0.244 4.095 4.340 -0.000 0.000 0.235 133 R C 2.369 178.738 176.300 0.115 0.000 1.131 133 R CA 1.945 58.103 56.100 0.096 0.000 0.960 133 R CB -0.627 29.733 30.300 0.101 0.000 0.856 133 R HN 0.455 nan 8.270 nan 0.000 0.436 134 F N 0.515 120.479 119.950 0.023 0.000 2.069 134 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 134 F C 1.501 177.317 175.800 0.026 0.000 1.113 134 F CA 1.539 59.520 58.000 -0.032 0.000 1.214 134 F CB -0.709 38.186 39.000 -0.175 0.000 0.978 134 F HN 0.011 nan 8.300 nan 0.000 0.474 135 Y N 0.590 120.793 120.300 -0.162 0.000 2.242 135 Y HA -0.162 4.388 4.550 -0.000 0.000 0.291 135 Y C 2.640 178.622 175.900 0.136 0.000 1.137 135 Y CA 1.551 59.581 58.100 -0.116 0.000 1.181 135 Y CB -0.999 37.361 38.460 -0.168 0.000 0.989 135 Y HN 0.154 nan 8.280 nan 0.000 0.527 136 Q N 0.007 119.870 119.800 0.104 0.000 2.224 136 Q HA -0.137 4.203 4.340 -0.000 0.000 0.203 136 Q C 1.202 177.293 176.000 0.152 0.000 0.970 136 Q CA 1.265 57.134 55.803 0.109 0.000 0.865 136 Q CB -0.401 28.322 28.738 -0.024 0.000 0.922 136 Q HN 0.699 nan 8.270 nan 0.000 0.445 137 N N -1.098 117.657 118.700 0.092 0.000 2.356 137 N HA -0.035 4.705 4.740 -0.000 0.000 0.178 137 N C 0.045 175.570 175.510 0.026 0.000 1.075 137 N CA -0.427 52.651 53.050 0.046 0.000 0.889 137 N CB 0.200 38.709 38.487 0.035 0.000 0.999 137 N HN 0.142 nan 8.380 nan 0.000 0.464 138 W N 3.467 124.655 121.300 -0.188 0.000 2.295 138 W HA -0.013 4.647 4.660 -0.000 0.000 0.335 138 W C -0.513 175.903 176.519 -0.171 0.000 1.351 138 W CA 0.250 57.453 57.345 -0.237 0.000 1.273 138 W CB 0.505 29.755 29.460 -0.350 0.000 1.214 138 W HN -0.049 nan 8.180 nan 0.000 0.563 139 Q N 7.471 126.692 119.800 -0.966 0.000 2.331 139 Q HA 0.319 4.659 4.340 -0.000 0.000 0.267 139 Q C -2.111 173.006 176.000 -1.472 0.000 1.006 139 Q CA -2.142 53.053 55.803 -1.013 0.000 0.818 139 Q CB 1.291 29.710 28.738 -0.531 0.000 1.276 139 Q HN 0.345 nan 8.270 nan 0.000 0.450 140 P HA 0.060 nan 4.420 nan 0.000 0.268 140 P C -0.073 176.816 177.300 -0.685 0.000 1.204 140 P CA 0.143 62.587 63.100 -1.093 0.000 0.768 140 P CB 0.756 32.011 31.700 -0.741 0.000 0.842 141 A N 2.831 125.238 122.820 -0.688 0.000 2.072 141 A HA 0.094 4.414 4.320 -0.000 0.000 0.216 141 A C 0.175 177.049 177.584 -1.184 0.000 1.156 141 A CA 0.785 52.170 52.037 -1.087 0.000 0.701 141 A CB -0.193 17.737 19.000 -1.784 0.000 0.816 141 A HN 0.548 nan 8.150 nan 0.000 0.458 142 W N -2.889 118.358 121.300 -0.088 0.000 3.042 142 W HA 0.633 5.293 4.660 -0.000 0.000 0.342 142 W C -0.087 176.375 176.519 -0.096 0.000 1.240 142 W CA -1.247 56.053 57.345 -0.075 0.000 1.166 142 W CB 0.961 30.395 29.460 -0.044 0.000 1.469 142 W HN 0.114 nan 8.180 nan 0.000 0.579 143 A N 3.253 126.159 122.820 0.143 0.000 2.386 143 A HA 0.528 4.848 4.320 -0.000 0.000 0.248 143 A C -1.996 175.596 177.584 0.012 0.000 1.082 143 A CA -0.897 51.161 52.037 0.036 0.000 0.789 143 A CB -0.712 18.309 19.000 0.035 0.000 1.025 143 A HN 0.166 nan 8.150 nan 0.000 0.490 144 P HA 0.156 nan 4.420 nan 0.000 0.267 144 P C 0.706 177.882 177.300 -0.206 0.000 1.200 144 P CA 1.499 64.427 63.100 -0.287 0.000 0.772 144 P CB 0.413 31.822 31.700 -0.485 0.000 0.855 145 G N 2.014 110.660 108.800 -0.256 0.000 2.273 145 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 145 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 145 G C 0.588 175.455 174.900 -0.055 0.000 1.047 145 G CA 0.733 45.825 45.100 -0.014 0.000 0.869 145 G HN 0.763 nan 8.290 nan 0.000 0.502 146 T N -5.184 109.295 114.554 -0.124 0.000 3.028 146 T HA 0.417 4.767 4.350 -0.000 0.000 0.250 146 T C 0.547 175.113 174.700 -0.224 0.000 0.979 146 T CA 0.693 62.735 62.100 -0.095 0.000 1.004 146 T CB 0.676 69.528 68.868 -0.027 0.000 1.120 146 T HN 0.313 nan 8.240 nan 0.000 0.482 147 Q N 0.934 120.557 119.800 -0.295 0.000 2.397 147 Q HA 0.493 4.833 4.340 -0.000 0.000 0.275 147 Q C -1.351 174.465 176.000 -0.307 0.000 1.090 147 Q CA -0.580 54.968 55.803 -0.425 0.000 0.809 147 Q CB 3.192 31.387 28.738 -0.905 0.000 1.362 147 Q HN 0.388 nan 8.270 nan 0.000 0.431 148 R N 2.029 122.379 120.500 -0.251 0.000 2.255 148 R HA 0.523 4.863 4.340 -0.000 0.000 0.326 148 R C -1.278 175.009 176.300 -0.022 0.000 0.986 148 R CA -0.568 55.475 56.100 -0.095 0.000 0.847 148 R CB 0.468 30.749 30.300 -0.032 0.000 1.111 148 R HN 0.444 nan 8.270 nan 0.000 0.452 149 L N 6.068 127.348 121.223 0.094 0.000 2.377 149 L HA 0.269 4.608 4.340 -0.000 0.000 0.270 149 L C -1.324 175.589 176.870 0.073 0.000 0.991 149 L CA -0.734 54.177 54.840 0.119 0.000 0.851 149 L CB 1.018 43.230 42.059 0.256 0.000 1.218 149 L HN 0.639 nan 8.230 nan 0.000 0.420 150 Y N 4.905 125.068 120.300 -0.229 0.000 2.865 150 Y HA 0.306 4.855 4.550 -0.000 0.000 0.338 150 Y C 0.071 175.770 175.900 -0.334 0.000 1.269 150 Y CA 0.896 58.618 58.100 -0.631 0.000 1.585 150 Y CB 0.348 38.551 38.460 -0.428 0.000 1.224 150 Y HN 0.835 nan 8.280 nan 0.000 0.554 151 A N 5.755 128.150 122.820 -0.708 0.000 2.491 151 A HA 0.285 4.605 4.320 -0.000 0.000 0.293 151 A C -0.159 177.339 177.584 -0.144 0.000 1.047 151 A CA -0.931 50.946 52.037 -0.267 0.000 0.735 151 A CB 0.909 19.923 19.000 0.023 0.000 1.281 151 A HN 0.796 nan 8.150 nan 0.000 0.398 152 N N 1.110 119.737 118.700 -0.121 0.000 2.188 152 N HA -0.139 4.601 4.740 -0.000 0.000 0.184 152 N C 2.019 177.592 175.510 0.105 0.000 1.018 152 N CA 1.900 54.963 53.050 0.021 0.000 0.858 152 N CB -0.091 38.450 38.487 0.091 0.000 0.989 152 N HN 0.838 nan 8.380 nan 0.000 0.426 153 S N -0.976 114.799 115.700 0.125 0.000 2.507 153 S HA 0.033 4.503 4.470 -0.000 0.000 0.235 153 S C 1.985 176.766 174.600 0.302 0.000 0.988 153 S CA 0.943 59.294 58.200 0.252 0.000 0.944 153 S CB 0.004 63.366 63.200 0.270 0.000 0.762 153 S HN 0.174 nan 8.310 nan 0.000 0.526 154 S N 1.072 116.898 115.700 0.210 0.000 2.357 154 S HA 0.274 4.744 4.470 -0.000 0.000 0.209 154 S C 1.607 176.314 174.600 0.179 0.000 1.023 154 S CA 0.380 58.699 58.200 0.197 0.000 0.933 154 S CB -0.587 62.754 63.200 0.235 0.000 0.897 154 S HN 0.549 nan 8.310 nan 0.000 0.529 155 I N 1.361 122.046 120.570 0.191 0.000 2.361 155 I HA -0.040 4.130 4.170 -0.000 0.000 0.251 155 I C 2.135 178.350 176.117 0.164 0.000 1.133 155 I CA 1.349 62.749 61.300 0.167 0.000 1.413 155 I CB -0.611 37.489 38.000 0.167 0.000 1.073 155 I HN 0.486 nan 8.210 nan 0.000 0.424 156 G N 0.921 109.782 108.800 0.101 0.000 2.418 156 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.217 156 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.217 156 G C 1.545 176.413 174.900 -0.054 0.000 1.158 156 G CA 0.925 46.016 45.100 -0.016 0.000 0.771 156 G HN 0.395 nan 8.290 nan 0.000 0.545 157 L N -0.241 121.004 121.223 0.036 0.000 2.093 157 L HA 0.141 4.481 4.340 -0.000 0.000 0.208 157 L C 2.415 179.261 176.870 -0.040 0.000 1.085 157 L CA 1.459 56.270 54.840 -0.050 0.000 0.755 157 L CB -0.740 41.252 42.059 -0.113 0.000 0.904 157 L HN 0.225 nan 8.230 nan 0.000 0.435 158 F N 0.562 120.467 119.950 -0.074 0.000 2.091 158 F HA -0.110 4.416 4.527 -0.000 0.000 0.299 158 F C 2.204 177.955 175.800 -0.082 0.000 1.103 158 F CA 1.847 59.809 58.000 -0.064 0.000 1.228 158 F CB -1.118 37.856 39.000 -0.044 0.000 0.984 158 F HN 0.120 nan 8.300 nan 0.000 0.477 159 G N -0.342 108.336 108.800 -0.204 0.000 2.440 159 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 159 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 159 G C 1.808 176.532 174.900 -0.293 0.000 1.154 159 G CA 1.031 45.970 45.100 -0.269 0.000 0.767 159 G HN 0.683 nan 8.290 nan 0.000 0.552 160 A N 0.439 123.050 122.820 -0.348 0.000 1.898 160 A HA 0.176 4.496 4.320 -0.000 0.000 0.216 160 A C 2.401 179.810 177.584 -0.291 0.000 1.181 160 A CA 1.149 52.997 52.037 -0.315 0.000 0.620 160 A CB -0.319 18.472 19.000 -0.349 0.000 0.819 160 A HN 0.349 nan 8.150 nan 0.000 0.442 161 L N -0.922 120.112 121.223 -0.316 0.000 2.240 161 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 161 L C 2.939 179.562 176.870 -0.412 0.000 1.106 161 L CA 0.722 55.386 54.840 -0.293 0.000 0.793 161 L CB -0.537 41.423 42.059 -0.165 0.000 0.927 161 L HN 0.421 nan 8.230 nan 0.000 0.446 162 A N 0.433 122.941 122.820 -0.519 0.000 1.972 162 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 162 A C 2.108 179.465 177.584 -0.378 0.000 1.169 162 A CA 1.756 53.441 52.037 -0.586 0.000 0.635 162 A CB -0.599 17.907 19.000 -0.824 0.000 0.810 162 A HN 0.332 nan 8.150 nan 0.000 0.446 163 V N -3.957 115.803 119.914 -0.256 0.000 3.649 163 V HA 0.092 4.212 4.120 -0.000 0.000 0.275 163 V C 1.624 177.628 176.094 -0.150 0.000 1.281 163 V CA 0.642 62.837 62.300 -0.175 0.000 1.143 163 V CB -0.400 31.360 31.823 -0.105 0.000 0.892 163 V HN 0.195 nan 8.190 nan 0.000 0.441 164 K N 1.745 122.041 120.400 -0.173 0.000 1.991 164 K HA -0.052 4.268 4.320 -0.000 0.000 0.212 164 K C 0.251 176.816 176.600 -0.057 0.000 1.049 164 K CA 2.092 58.316 56.287 -0.105 0.000 0.932 164 K CB -2.054 30.404 32.500 -0.069 0.000 0.717 164 K HN 0.455 nan 8.250 nan 0.000 0.441 165 P HA -0.160 nan 4.420 nan 0.000 0.216 165 P C 1.522 178.806 177.300 -0.026 0.000 1.150 165 P CA 1.907 65.007 63.100 -0.000 0.000 0.843 165 P CB -0.126 31.578 31.700 0.005 0.000 0.787 166 S N -1.654 114.010 115.700 -0.060 0.000 2.447 166 S HA 0.032 4.502 4.470 -0.000 0.000 0.233 166 S C 1.912 176.480 174.600 -0.053 0.000 1.006 166 S CA 1.143 59.307 58.200 -0.060 0.000 0.957 166 S CB -1.515 61.634 63.200 -0.085 0.000 0.773 166 S HN 0.328 nan 8.310 nan 0.000 0.507 167 G N 0.636 109.405 108.800 -0.053 0.000 2.184 167 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.264 167 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.264 167 G C 0.032 174.899 174.900 -0.054 0.000 0.975 167 G CA 0.528 45.601 45.100 -0.046 0.000 0.642 167 G HN 0.585 nan 8.290 nan 0.000 0.536 168 L N 1.481 122.662 121.223 -0.069 0.000 2.439 168 L HA 0.587 4.927 4.340 -0.000 0.000 0.259 168 L C 1.487 178.314 176.870 -0.072 0.000 1.129 168 L CA -0.223 54.572 54.840 -0.076 0.000 0.803 168 L CB 1.140 43.139 42.059 -0.100 0.000 1.161 168 L HN 0.389 nan 8.230 nan 0.000 0.462 169 S N -0.120 115.541 115.700 -0.064 0.000 2.614 169 S HA 0.102 4.572 4.470 -0.000 0.000 0.265 169 S C 0.773 175.351 174.600 -0.036 0.000 1.303 169 S CA -0.481 57.697 58.200 -0.037 0.000 1.000 169 S CB 0.606 63.790 63.200 -0.027 0.000 0.935 169 S HN 0.537 nan 8.310 nan 0.000 0.551 170 F N 1.160 121.022 119.950 -0.145 0.000 2.126 170 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 170 F C 2.471 178.166 175.800 -0.174 0.000 1.096 170 F CA 2.248 60.148 58.000 -0.168 0.000 1.255 170 F CB -0.405 38.495 39.000 -0.166 0.000 0.997 170 F HN 0.936 nan 8.300 nan 0.000 0.479 171 E N -0.645 119.509 120.200 -0.077 0.000 2.072 171 E HA -0.232 4.118 4.350 -0.000 0.000 0.191 171 E C 2.162 178.614 176.600 -0.247 0.000 0.985 171 E CA 1.125 57.422 56.400 -0.173 0.000 0.801 171 E CB -0.083 29.608 29.700 -0.014 0.000 0.750 171 E HN 0.387 nan 8.360 nan 0.000 0.452 172 Q N 0.124 119.820 119.800 -0.173 0.000 2.079 172 Q HA -0.102 4.238 4.340 -0.000 0.000 0.200 172 Q C 2.113 177.969 176.000 -0.241 0.000 0.974 172 Q CA 1.388 57.092 55.803 -0.165 0.000 0.840 172 Q CB -0.500 28.175 28.738 -0.105 0.000 0.898 172 Q HN 0.372 nan 8.270 nan 0.000 0.430 173 A N 0.725 123.377 122.820 -0.281 0.000 1.865 173 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 173 A C 2.164 179.485 177.584 -0.439 0.000 1.191 173 A CA 2.088 53.936 52.037 -0.315 0.000 0.623 173 A CB -0.550 18.260 19.000 -0.316 0.000 0.826 173 A HN 0.361 nan 8.150 nan 0.000 0.444 174 M N -0.328 118.872 119.600 -0.666 0.000 2.117 174 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 174 M C 2.147 177.880 176.300 -0.944 0.000 1.065 174 M CA 2.030 56.797 55.300 -0.888 0.000 1.114 174 M CB -0.603 31.294 32.600 -1.172 0.000 1.361 174 M HN 0.539 nan 8.290 nan 0.000 0.408 175 Q N -1.092 118.295 119.800 -0.688 0.000 2.020 175 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 175 Q C 1.946 177.788 176.000 -0.264 0.000 0.982 175 Q CA 2.445 57.993 55.803 -0.425 0.000 0.838 175 Q CB -0.389 28.226 28.738 -0.206 0.000 0.899 175 Q HN 0.772 nan 8.270 nan 0.000 0.423 176 T N -1.918 112.500 114.554 -0.227 0.000 2.985 176 T HA 0.007 4.357 4.350 -0.000 0.000 0.266 176 T C 1.649 176.266 174.700 -0.138 0.000 1.076 176 T CA 0.582 62.592 62.100 -0.150 0.000 1.135 176 T CB 0.023 68.817 68.868 -0.123 0.000 0.890 176 T HN 0.139 nan 8.240 nan 0.000 0.480 177 R N 0.025 120.413 120.500 -0.186 0.000 2.237 177 R HA 0.345 4.685 4.340 -0.000 0.000 0.195 177 R C 1.651 177.894 176.300 -0.094 0.000 0.956 177 R CA 0.330 56.350 56.100 -0.134 0.000 1.029 177 R CB 0.319 30.531 30.300 -0.148 0.000 0.972 177 R HN 0.313 nan 8.270 nan 0.000 0.493 178 V N -0.941 118.884 119.914 -0.149 0.000 3.134 178 V HA 0.026 4.146 4.120 -0.000 0.000 0.222 178 V C 1.491 177.664 176.094 0.131 0.000 1.247 178 V CA 0.421 62.716 62.300 -0.008 0.000 1.281 178 V CB -0.453 31.343 31.823 -0.044 0.000 1.169 178 V HN -0.040 nan 8.190 nan 0.000 0.512 179 F N 1.592 121.490 119.950 -0.087 0.000 2.069 179 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 179 F C 2.628 178.350 175.800 -0.130 0.000 1.113 179 F CA 1.647 59.557 58.000 -0.149 0.000 1.214 179 F CB -1.255 37.551 39.000 -0.324 0.000 0.978 179 F HN 0.211 nan 8.300 nan 0.000 0.474 180 Q N -0.372 119.462 119.800 0.056 0.000 2.046 180 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 180 Q C -0.314 175.690 176.000 0.005 0.000 0.975 180 Q CA 1.607 57.403 55.803 -0.011 0.000 0.836 180 Q CB -1.421 27.288 28.738 -0.049 0.000 0.896 180 Q HN 0.279 nan 8.270 nan 0.000 0.428 181 P HA -0.141 nan 4.420 nan 0.000 0.218 181 P C 0.679 178.006 177.300 0.045 0.000 1.149 181 P CA 1.156 64.268 63.100 0.021 0.000 0.817 181 P CB 0.068 31.779 31.700 0.020 0.000 0.785 182 L N -1.459 119.818 121.223 0.089 0.000 2.591 182 L HA 0.133 4.473 4.340 -0.000 0.000 0.228 182 L C 0.474 177.392 176.870 0.080 0.000 1.133 182 L CA 0.234 55.142 54.840 0.114 0.000 0.880 182 L CB -0.601 41.595 42.059 0.229 0.000 1.033 182 L HN -0.043 nan 8.230 nan 0.000 0.450 183 K N 0.623 121.046 120.400 0.038 0.000 3.167 183 K HA -0.158 4.162 4.320 -0.000 0.000 0.272 183 K C -0.202 176.385 176.600 -0.022 0.000 1.137 183 K CA 0.303 56.589 56.287 -0.002 0.000 0.800 183 K CB -1.744 30.760 32.500 0.006 0.000 1.253 183 K HN 0.297 nan 8.250 nan 0.000 0.497 184 L N 1.592 122.788 121.223 -0.044 0.000 2.399 184 L HA 0.106 4.445 4.340 -0.000 0.000 0.257 184 L C 0.919 177.604 176.870 -0.309 0.000 1.236 184 L CA -0.413 54.342 54.840 -0.141 0.000 1.144 184 L CB -0.025 41.911 42.059 -0.205 0.000 1.379 184 L HN 0.165 nan 8.230 nan 0.000 0.414 185 N N 0.337 118.885 118.700 -0.254 0.000 2.521 185 N HA -0.043 4.697 4.740 -0.000 0.000 0.188 185 N C 0.544 175.636 175.510 -0.696 0.000 1.146 185 N CA 0.632 53.422 53.050 -0.433 0.000 0.893 185 N CB 0.121 38.399 38.487 -0.349 0.000 0.975 185 N HN 0.504 nan 8.380 nan 0.000 0.451 186 H N -0.822 118.084 119.070 -0.274 0.000 2.790 186 H HA 0.260 4.816 4.556 -0.000 0.000 0.232 186 H C -0.417 174.733 175.328 -0.296 0.000 1.313 186 H CA -0.100 55.859 56.048 -0.148 0.000 1.011 186 H CB 0.462 30.199 29.762 -0.043 0.000 2.105 186 H HN -0.128 nan 8.280 nan 0.000 0.580 187 T N 0.751 114.890 114.554 -0.691 0.000 2.848 187 T HA 0.385 4.735 4.350 -0.000 0.000 0.285 187 T C -0.846 173.163 174.700 -1.150 0.000 0.995 187 T CA -0.462 61.116 62.100 -0.870 0.000 0.970 187 T CB 1.586 69.723 68.868 -1.218 0.000 0.976 187 T HN 0.233 nan 8.240 nan 0.000 0.441 188 W N 1.497 122.464 121.300 -0.555 0.000 3.118 188 W HA 0.570 5.230 4.660 0.000 0.000 0.328 188 W C 0.564 176.938 176.519 -0.241 0.000 1.239 188 W CA -0.799 56.350 57.345 -0.327 0.000 1.176 188 W CB 1.074 30.369 29.460 -0.276 0.000 1.433 188 W HN 0.474 nan 8.180 nan 0.000 0.562 189 I N 1.372 122.051 120.570 0.182 0.000 2.731 189 I HA 0.009 4.178 4.170 -0.000 0.000 0.260 189 I C 0.101 176.226 176.117 0.013 0.000 1.138 189 I CA 0.775 62.117 61.300 0.070 0.000 1.461 189 I CB 0.064 38.125 38.000 0.102 0.000 1.128 189 I HN 0.273 nan 8.210 nan 0.000 0.438 190 N N 1.318 120.052 118.700 0.056 0.000 2.531 190 N HA 0.169 4.909 4.740 -0.000 0.000 0.268 190 N C -0.924 174.458 175.510 -0.212 0.000 1.023 190 N CA -0.096 52.912 53.050 -0.070 0.000 0.896 190 N CB 2.764 41.223 38.487 -0.046 0.000 1.233 190 N HN -0.172 nan 8.380 nan 0.000 0.512 191 V N 4.772 124.472 119.914 -0.356 0.000 2.485 191 V HA 0.181 4.301 4.120 -0.000 0.000 0.287 191 V C -1.721 174.017 176.094 -0.593 0.000 1.022 191 V CA -0.813 61.130 62.300 -0.596 0.000 1.067 191 V CB 0.269 31.697 31.823 -0.658 0.000 0.967 191 V HN 0.505 nan 8.190 nan 0.000 0.479 192 P HA 0.334 nan 4.420 nan 0.000 0.274 192 P C -2.388 174.685 177.300 -0.379 0.000 1.246 192 P CA -1.599 61.126 63.100 -0.625 0.000 0.795 192 P CB 0.421 31.603 31.700 -0.863 0.000 1.006 193 P HA -0.211 nan 4.420 nan 0.000 0.216 193 P C 1.544 178.766 177.300 -0.128 0.000 1.157 193 P CA 2.451 65.462 63.100 -0.147 0.000 0.880 193 P CB -0.525 31.111 31.700 -0.107 0.000 0.791 194 A N -0.407 122.327 122.820 -0.143 0.000 2.070 194 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 194 A C 2.013 179.553 177.584 -0.074 0.000 1.159 194 A CA 1.507 53.490 52.037 -0.089 0.000 0.656 194 A CB -0.786 18.173 19.000 -0.069 0.000 0.800 194 A HN 0.137 nan 8.150 nan 0.000 0.453 195 E N -0.692 119.424 120.200 -0.140 0.000 2.447 195 E HA -0.024 4.326 4.350 -0.000 0.000 0.195 195 E C 1.528 178.087 176.600 -0.068 0.000 1.028 195 E CA 0.279 56.622 56.400 -0.096 0.000 0.876 195 E CB -0.094 29.501 29.700 -0.176 0.000 0.885 195 E HN 0.751 nan 8.360 nan 0.000 0.500 196 E N 1.616 121.773 120.200 -0.072 0.000 2.108 196 E HA -0.281 4.069 4.350 -0.000 0.000 0.203 196 E C 1.967 178.588 176.600 0.034 0.000 1.022 196 E CA 2.448 58.848 56.400 -0.001 0.000 0.823 196 E CB -0.112 29.586 29.700 -0.004 0.000 0.744 196 E HN 0.261 nan 8.360 nan 0.000 0.456 197 K N -0.045 120.369 120.400 0.022 0.000 2.211 197 K HA -0.165 4.154 4.320 -0.000 0.000 0.204 197 K C 1.190 177.813 176.600 0.038 0.000 1.047 197 K CA 2.014 58.322 56.287 0.036 0.000 0.935 197 K CB -0.238 32.279 32.500 0.028 0.000 0.728 197 K HN 0.121 nan 8.250 nan 0.000 0.452 198 N N -0.539 118.179 118.700 0.029 0.000 2.353 198 N HA -0.018 4.722 4.740 -0.000 0.000 0.185 198 N C -0.641 174.895 175.510 0.042 0.000 1.098 198 N CA -0.326 52.736 53.050 0.021 0.000 0.872 198 N CB 0.175 38.662 38.487 -0.001 0.000 0.970 198 N HN 0.213 nan 8.380 nan 0.000 0.467 199 Y N 2.449 122.668 120.300 -0.135 0.000 2.624 199 Y HA 0.250 4.800 4.550 -0.000 0.000 0.354 199 Y C 0.423 176.212 175.900 -0.184 0.000 1.051 199 Y CA -1.382 56.596 58.100 -0.203 0.000 1.377 199 Y CB 0.097 38.383 38.460 -0.290 0.000 1.168 199 Y HN 0.017 nan 8.280 nan 0.000 0.525 200 A N 6.172 129.034 122.820 0.071 0.000 2.466 200 A HA -0.015 4.305 4.320 -0.000 0.000 0.238 200 A C -1.054 176.539 177.584 0.015 0.000 1.074 200 A CA -0.105 51.944 52.037 0.020 0.000 0.774 200 A CB 0.287 19.245 19.000 -0.071 0.000 1.015 200 A HN 0.939 nan 8.150 nan 0.000 0.498 201 W N 0.271 121.595 121.300 0.040 0.000 2.376 201 W HA 0.506 5.166 4.660 -0.000 0.000 0.322 201 W C 0.778 177.004 176.519 -0.490 0.000 1.160 201 W CA 0.250 57.426 57.345 -0.281 0.000 1.218 201 W CB 1.516 30.673 29.460 -0.505 0.000 1.205 201 W HN 0.933 nan 8.180 nan 0.000 0.559 202 G N 1.606 110.213 108.800 -0.322 0.000 2.425 202 G HA2 0.515 4.475 3.960 -0.000 0.000 0.302 202 G HA3 0.515 4.475 3.960 -0.000 0.000 0.302 202 G C -2.126 172.392 174.900 -0.637 0.000 1.159 202 G CA -0.446 44.208 45.100 -0.743 0.000 0.865 202 G HN 0.422 nan 8.290 nan 0.000 0.515 203 Y N -0.017 120.197 120.300 -0.144 0.000 2.331 203 Y HA 0.547 5.097 4.550 -0.000 0.000 0.334 203 Y C 0.484 176.375 175.900 -0.016 0.000 0.960 203 Y CA -0.800 57.270 58.100 -0.050 0.000 1.130 203 Y CB 2.358 40.795 38.460 -0.039 0.000 1.164 203 Y HN 0.503 nan 8.280 nan 0.000 0.458 204 R N 2.374 122.930 120.500 0.093 0.000 2.468 204 R HA 0.521 4.861 4.340 -0.000 0.000 0.302 204 R C -0.158 176.183 176.300 0.068 0.000 1.041 204 R CA 0.500 56.647 56.100 0.078 0.000 0.899 204 R CB 0.744 31.078 30.300 0.056 0.000 1.167 204 R HN 0.890 nan 8.270 nan 0.000 0.483 205 E N 2.043 122.285 120.200 0.070 0.000 2.340 205 E HA -0.191 4.159 4.350 -0.000 0.000 0.240 205 E C 0.728 177.359 176.600 0.053 0.000 1.154 205 E CA 1.346 57.775 56.400 0.049 0.000 0.717 205 E CB -2.459 27.261 29.700 0.034 0.000 1.250 205 E HN 1.498 nan 8.360 nan 0.000 0.386 206 G N -2.585 106.265 108.800 0.084 0.000 2.377 206 G HA2 0.094 4.054 3.960 -0.000 0.000 0.250 206 G HA3 0.094 4.054 3.960 -0.000 0.000 0.250 206 G C 1.100 176.091 174.900 0.152 0.000 1.039 206 G CA 1.764 46.920 45.100 0.093 0.000 0.625 206 G HN 2.280 nan 8.290 nan 0.000 0.526 207 K N 0.464 120.912 120.400 0.081 0.000 2.298 207 K HA 0.855 5.175 4.320 -0.000 0.000 0.280 207 K C 0.491 177.032 176.600 -0.098 0.000 1.032 207 K CA 0.758 57.043 56.287 -0.002 0.000 0.958 207 K CB 0.713 33.188 32.500 -0.042 0.000 0.978 207 K HN 1.988 nan 8.250 nan 0.000 0.472 208 A N 1.219 123.857 122.820 -0.302 0.000 2.401 208 A HA 0.613 4.933 4.320 -0.000 0.000 0.259 208 A C 0.298 177.640 177.584 -0.403 0.000 1.103 208 A CA 0.239 51.860 52.037 -0.695 0.000 0.789 208 A CB -0.239 18.164 19.000 -0.994 0.000 1.035 208 A HN 1.910 nan 8.150 nan 0.000 0.491 209 V N 0.031 119.864 119.914 -0.136 0.000 3.188 209 V HA 0.742 4.862 4.120 -0.000 0.000 0.305 209 V C -1.017 175.220 176.094 0.237 0.000 1.232 209 V CA -1.000 61.361 62.300 0.103 0.000 1.043 209 V CB 1.799 33.658 31.823 0.061 0.000 1.068 209 V HN 0.925 nan 8.190 nan 0.000 0.439 210 H N -0.032 119.193 119.070 0.258 0.000 2.821 210 H HA 0.691 5.247 4.556 -0.000 0.000 0.373 210 H C -0.470 174.963 175.328 0.175 0.000 1.165 210 H CA -0.577 55.551 56.048 0.134 0.000 1.154 210 H CB 2.224 31.941 29.762 -0.075 0.000 1.765 210 H HN 0.832 nan 8.280 nan 0.000 0.549 211 V N 1.895 122.002 119.914 0.321 0.000 2.763 211 V HA 0.128 4.248 4.120 -0.000 0.000 0.306 211 V C 0.104 176.323 176.094 0.208 0.000 1.059 211 V CA 0.294 62.743 62.300 0.247 0.000 1.138 211 V CB 0.667 32.643 31.823 0.256 0.000 0.940 211 V HN 0.799 nan 8.190 nan 0.000 0.489 212 S N 6.495 122.303 115.700 0.179 0.000 2.646 212 S HA 0.561 5.030 4.470 -0.000 0.000 0.276 212 S C -2.337 172.350 174.600 0.145 0.000 1.222 212 S CA -0.725 57.561 58.200 0.143 0.000 1.014 212 S CB 1.306 64.573 63.200 0.111 0.000 0.991 212 S HN 0.827 nan 8.310 nan 0.000 0.533 213 P HA 0.495 nan 4.420 nan 0.000 0.270 213 P C -0.283 177.067 177.300 0.084 0.000 1.223 213 P CA -0.136 63.006 63.100 0.070 0.000 0.785 213 P CB 0.426 32.150 31.700 0.040 0.000 0.923 214 G N -0.692 108.146 108.800 0.062 0.000 2.632 214 G HA2 0.528 4.488 3.960 -0.000 0.000 0.292 214 G HA3 0.528 4.488 3.960 -0.000 0.000 0.292 214 G C -1.490 173.418 174.900 0.012 0.000 1.465 214 G CA -0.382 44.760 45.100 0.070 0.000 0.824 214 G HN 0.513 nan 8.290 nan 0.000 0.509 215 A N 0.380 123.198 122.820 -0.004 0.000 2.511 215 A HA 0.549 4.869 4.320 -0.000 0.000 0.242 215 A C 1.403 178.957 177.584 -0.051 0.000 1.069 215 A CA 0.535 52.553 52.037 -0.032 0.000 0.763 215 A CB -0.399 18.578 19.000 -0.038 0.000 1.001 215 A HN 1.798 nan 8.150 nan 0.000 0.498 216 L N 0.683 121.841 121.223 -0.107 0.000 3.843 216 L HA -0.307 4.033 4.340 -0.000 0.000 0.411 216 L C 0.979 177.672 176.870 -0.296 0.000 1.205 216 L CA 0.611 55.340 54.840 -0.185 0.000 0.945 216 L CB -1.698 40.306 42.059 -0.092 0.000 1.929 216 L HN 1.014 nan 8.230 nan 0.000 0.934 217 D N -0.239 119.947 120.400 -0.356 0.000 2.123 217 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 217 D C 1.969 177.841 176.300 -0.713 0.000 0.976 217 D CA 1.206 54.734 54.000 -0.786 0.000 0.831 217 D CB -0.078 40.429 40.800 -0.489 0.000 0.974 217 D HN 0.408 nan 8.370 nan 0.000 0.469 218 A N 1.008 123.594 122.820 -0.389 0.000 1.883 218 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 218 A C 2.114 179.543 177.584 -0.258 0.000 1.186 218 A CA 2.030 53.936 52.037 -0.218 0.000 0.624 218 A CB -0.786 18.171 19.000 -0.072 0.000 0.822 218 A HN 0.208 nan 8.150 nan 0.000 0.444 219 E N -0.453 119.386 120.200 -0.601 0.000 2.204 219 E HA 0.102 4.452 4.350 -0.000 0.000 0.194 219 E C 1.787 178.245 176.600 -0.236 0.000 0.989 219 E CA 1.206 57.175 56.400 -0.719 0.000 0.824 219 E CB -0.198 28.975 29.700 -0.878 0.000 0.756 219 E HN 0.614 nan 8.360 nan 0.000 0.477 220 A N -0.701 121.982 122.820 -0.229 0.000 2.192 220 A HA 0.165 4.485 4.320 -0.000 0.000 0.208 220 A C 0.596 178.264 177.584 0.140 0.000 1.220 220 A CA 0.314 52.347 52.037 -0.006 0.000 0.900 220 A CB 0.106 19.165 19.000 0.097 0.000 0.937 220 A HN 0.384 nan 8.150 nan 0.000 0.487 221 Y N -4.689 115.635 120.300 0.039 0.000 3.154 221 Y HA 0.386 4.936 4.550 -0.000 0.000 0.278 221 Y C 0.864 176.784 175.900 0.034 0.000 1.049 221 Y CA -0.484 57.650 58.100 0.058 0.000 1.287 221 Y CB -0.539 37.959 38.460 0.064 0.000 1.298 221 Y HN -0.022 nan 8.280 nan 0.000 0.620 222 G N 0.899 109.579 108.800 -0.201 0.000 2.985 222 G HA2 0.316 4.276 3.960 -0.000 0.000 0.209 222 G HA3 0.316 4.276 3.960 -0.000 0.000 0.209 222 G C -0.063 174.794 174.900 -0.072 0.000 1.165 222 G CA 0.304 45.320 45.100 -0.140 0.000 0.776 222 G HN 0.132 nan 8.290 nan 0.000 0.541 223 V N 0.404 120.276 119.914 -0.072 0.000 2.546 223 V HA 0.421 4.541 4.120 -0.000 0.000 0.284 223 V C -0.268 175.709 176.094 -0.195 0.000 1.050 223 V CA -0.504 61.693 62.300 -0.172 0.000 0.981 223 V CB 1.488 33.106 31.823 -0.341 0.000 0.990 223 V HN 0.128 nan 8.190 nan 0.000 0.474 224 K N 2.394 122.640 120.400 -0.257 0.000 2.270 224 K HA 0.805 5.125 4.320 -0.000 0.000 0.255 224 K C -0.550 175.902 176.600 -0.247 0.000 0.936 224 K CA -0.194 55.932 56.287 -0.268 0.000 0.809 224 K CB 2.034 34.267 32.500 -0.445 0.000 1.131 224 K HN 0.715 nan 8.250 nan 0.000 0.427 225 S N 0.101 115.726 115.700 -0.125 0.000 2.615 225 S HA 0.578 5.048 4.470 -0.000 0.000 0.269 225 S C -1.221 173.438 174.600 0.098 0.000 1.161 225 S CA -0.723 57.424 58.200 -0.089 0.000 0.817 225 S CB 0.971 64.072 63.200 -0.165 0.000 1.131 225 S HN 0.685 nan 8.310 nan 0.000 0.467 226 T N 0.166 114.772 114.554 0.087 0.000 2.912 226 T HA 0.520 4.870 4.350 -0.000 0.000 0.280 226 T C 1.251 176.045 174.700 0.158 0.000 0.989 226 T CA -0.499 61.694 62.100 0.154 0.000 0.995 226 T CB 0.807 69.699 68.868 0.040 0.000 1.077 226 T HN 0.459 nan 8.240 nan 0.000 0.531 227 I N 0.651 121.321 120.570 0.167 0.000 2.394 227 I HA -0.018 4.152 4.170 -0.000 0.000 0.251 227 I C 2.320 178.529 176.117 0.153 0.000 1.136 227 I CA 1.429 62.828 61.300 0.165 0.000 1.425 227 I CB -0.553 37.556 38.000 0.181 0.000 1.079 227 I HN 0.829 nan 8.210 nan 0.000 0.425 228 E N -0.022 120.163 120.200 -0.025 0.000 2.072 228 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 228 E C 1.633 178.301 176.600 0.113 0.000 0.985 228 E CA 1.358 57.741 56.400 -0.028 0.000 0.801 228 E CB -0.123 29.460 29.700 -0.196 0.000 0.750 228 E HN 0.475 nan 8.360 nan 0.000 0.452 229 D N 0.130 120.581 120.400 0.086 0.000 2.144 229 D HA -0.102 4.538 4.640 -0.000 0.000 0.200 229 D C 1.841 178.258 176.300 0.196 0.000 0.978 229 D CA 0.829 54.889 54.000 0.100 0.000 0.833 229 D CB -0.001 40.798 40.800 -0.001 0.000 0.961 229 D HN 0.067 nan 8.370 nan 0.000 0.470 230 M N 0.455 120.182 119.600 0.212 0.000 2.159 230 M HA -0.021 4.459 4.480 -0.000 0.000 0.263 230 M C 2.212 178.706 176.300 0.323 0.000 1.063 230 M CA 0.717 56.206 55.300 0.314 0.000 1.110 230 M CB -1.119 31.644 32.600 0.272 0.000 1.374 230 M HN -0.026 nan 8.290 nan 0.000 0.411 231 A N -0.113 122.872 122.820 0.275 0.000 1.972 231 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 231 A C 2.358 180.032 177.584 0.150 0.000 1.169 231 A CA 1.330 53.496 52.037 0.214 0.000 0.635 231 A CB -0.536 18.627 19.000 0.272 0.000 0.810 231 A HN 0.449 nan 8.150 nan 0.000 0.446 232 R N -1.671 118.941 120.500 0.186 0.000 2.092 232 R HA -0.138 4.202 4.340 -0.000 0.000 0.231 232 R C 2.143 178.555 176.300 0.186 0.000 1.119 232 R CA 1.247 57.434 56.100 0.145 0.000 0.970 232 R CB -0.350 30.040 30.300 0.150 0.000 0.864 232 R HN 0.874 nan 8.270 nan 0.000 0.440 233 W N 0.984 122.318 121.300 0.058 0.000 2.358 233 W HA -0.193 4.467 4.660 -0.000 0.000 0.303 233 W C 1.491 177.970 176.519 -0.067 0.000 1.208 233 W CA 1.102 58.478 57.345 0.051 0.000 1.274 233 W CB 0.033 29.589 29.460 0.160 0.000 1.138 233 W HN -0.126 nan 8.180 nan 0.000 0.515 234 V N 1.351 121.236 119.914 -0.047 0.000 2.358 234 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 234 V C 2.386 178.159 176.094 -0.535 0.000 1.047 234 V CA 2.236 64.299 62.300 -0.396 0.000 1.035 234 V CB -0.963 30.757 31.823 -0.171 0.000 0.658 234 V HN 0.242 nan 8.190 nan 0.000 0.452 235 Q N -0.265 119.366 119.800 -0.282 0.000 2.084 235 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 235 Q C 2.496 178.305 176.000 -0.318 0.000 0.978 235 Q CA 1.967 57.611 55.803 -0.264 0.000 0.844 235 Q CB -0.325 28.331 28.738 -0.138 0.000 0.898 235 Q HN 0.573 nan 8.270 nan 0.000 0.426 236 S N 0.974 116.505 115.700 -0.280 0.000 2.383 236 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 236 S C 1.546 175.881 174.600 -0.443 0.000 1.030 236 S CA 1.076 59.108 58.200 -0.279 0.000 1.002 236 S CB -0.208 62.887 63.200 -0.176 0.000 0.829 236 S HN 0.372 nan 8.310 nan 0.000 0.467 237 N N 0.813 119.081 118.700 -0.719 0.000 2.416 237 N HA 0.149 4.889 4.740 -0.000 0.000 0.177 237 N C 1.536 176.542 175.510 -0.839 0.000 1.036 237 N CA 0.369 52.910 53.050 -0.849 0.000 0.901 237 N CB -0.049 37.713 38.487 -1.208 0.000 0.976 237 N HN 0.338 nan 8.380 nan 0.000 0.444 238 L N 0.237 120.959 121.223 -0.836 0.000 2.131 238 L HA 0.008 4.348 4.340 -0.000 0.000 0.206 238 L C 0.844 177.525 176.870 -0.315 0.000 1.087 238 L CA 1.000 55.495 54.840 -0.575 0.000 0.767 238 L CB 0.155 41.926 42.059 -0.480 0.000 0.917 238 L HN -0.087 nan 8.230 nan 0.000 0.441 239 K N -0.998 119.231 120.400 -0.285 0.000 2.827 239 K HA 0.207 4.527 4.320 -0.000 0.000 0.186 239 K C -1.987 174.512 176.600 -0.167 0.000 1.093 239 K CA -1.405 54.769 56.287 -0.189 0.000 0.993 239 K CB 1.426 33.831 32.500 -0.158 0.000 1.199 239 K HN -0.202 nan 8.250 nan 0.000 0.598 240 P HA -0.182 nan 4.420 nan 0.000 0.216 240 P C 0.851 178.099 177.300 -0.087 0.000 1.150 240 P CA 1.021 64.045 63.100 -0.126 0.000 0.837 240 P CB 0.259 31.893 31.700 -0.109 0.000 0.786 241 L N -0.800 120.375 121.223 -0.080 0.000 2.265 241 L HA -0.154 4.186 4.340 -0.000 0.000 0.215 241 L C 1.617 178.453 176.870 -0.057 0.000 1.117 241 L CA 1.214 56.018 54.840 -0.061 0.000 0.782 241 L CB -0.888 41.136 42.059 -0.058 0.000 0.914 241 L HN -0.028 nan 8.230 nan 0.000 0.441 242 D N 0.273 120.632 120.400 -0.068 0.000 2.348 242 D HA 0.059 4.699 4.640 -0.000 0.000 0.216 242 D C 0.847 177.120 176.300 -0.046 0.000 0.970 242 D CA 0.636 54.601 54.000 -0.058 0.000 0.889 242 D CB 0.066 40.825 40.800 -0.069 0.000 0.912 242 D HN 0.261 nan 8.370 nan 0.000 0.524 243 I N 0.776 121.318 120.570 -0.046 0.000 2.416 243 I HA 0.042 4.212 4.170 -0.000 0.000 0.288 243 I C 1.882 177.986 176.117 -0.022 0.000 1.051 243 I CA -0.161 61.120 61.300 -0.030 0.000 1.375 243 I CB 1.036 39.019 38.000 -0.029 0.000 1.407 243 I HN -0.094 nan 8.210 nan 0.000 0.516 244 N N 5.139 123.829 118.700 -0.016 0.000 2.171 244 N HA -0.110 4.629 4.740 -0.000 0.000 0.184 244 N C 0.784 176.287 175.510 -0.012 0.000 1.021 244 N CA 0.721 53.763 53.050 -0.014 0.000 0.854 244 N CB -0.377 38.103 38.487 -0.013 0.000 0.994 244 N HN 0.663 nan 8.380 nan 0.000 0.426 245 E N 0.640 120.835 120.200 -0.008 0.000 2.238 245 E HA 0.385 4.734 4.350 -0.000 0.000 0.264 245 E C 1.532 178.128 176.600 -0.006 0.000 1.136 245 E CA 0.412 56.808 56.400 -0.007 0.000 0.929 245 E CB 0.667 30.365 29.700 -0.004 0.000 1.010 245 E HN 0.620 nan 8.360 nan 0.000 0.440 246 K N 2.624 123.020 120.400 -0.008 0.000 2.015 246 K HA -0.241 4.078 4.320 -0.000 0.000 0.216 246 K C 2.079 178.677 176.600 -0.003 0.000 1.052 246 K CA 2.495 58.778 56.287 -0.007 0.000 0.937 246 K CB -1.750 30.745 32.500 -0.008 0.000 0.719 246 K HN 0.692 nan 8.250 nan 0.000 0.446 247 T N -0.859 113.695 114.554 -0.001 0.000 2.881 247 T HA -0.067 4.283 4.350 -0.000 0.000 0.270 247 T C 1.966 176.673 174.700 0.012 0.000 1.068 247 T CA 1.379 63.482 62.100 0.004 0.000 1.131 247 T CB -0.178 68.689 68.868 -0.001 0.000 0.871 247 T HN 0.256 nan 8.240 nan 0.000 0.479 248 L N 1.172 122.402 121.223 0.011 0.000 2.072 248 L HA 0.133 4.473 4.340 -0.000 0.000 0.205 248 L C 2.790 179.671 176.870 0.019 0.000 1.079 248 L CA 1.790 56.645 54.840 0.025 0.000 0.752 248 L CB -1.086 40.990 42.059 0.029 0.000 0.906 248 L HN 0.401 nan 8.230 nan 0.000 0.436 249 Q N -0.775 119.026 119.800 0.002 0.000 2.096 249 Q HA -0.316 4.024 4.340 -0.000 0.000 0.204 249 Q C 2.288 178.283 176.000 -0.008 0.000 0.982 249 Q CA 2.358 58.152 55.803 -0.014 0.000 0.850 249 Q CB -0.247 28.479 28.738 -0.020 0.000 0.901 249 Q HN 0.732 nan 8.270 nan 0.000 0.422 250 Q N -0.830 118.973 119.800 0.005 0.000 2.079 250 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 250 Q C 1.968 177.990 176.000 0.037 0.000 0.974 250 Q CA 1.373 57.184 55.803 0.015 0.000 0.840 250 Q CB -0.319 28.428 28.738 0.016 0.000 0.898 250 Q HN 0.535 nan 8.270 nan 0.000 0.430 251 G N 1.156 109.984 108.800 0.048 0.000 2.446 251 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 251 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 251 G C 1.382 176.342 174.900 0.099 0.000 1.168 251 G CA 0.906 46.055 45.100 0.082 0.000 0.771 251 G HN 0.378 nan 8.290 nan 0.000 0.551 252 I N 0.157 120.764 120.570 0.062 0.000 2.361 252 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 252 I C 2.999 179.141 176.117 0.041 0.000 1.133 252 I CA 1.151 62.475 61.300 0.040 0.000 1.413 252 I CB -0.106 37.854 38.000 -0.066 0.000 1.073 252 I HN 0.241 nan 8.210 nan 0.000 0.424 253 Q N 0.112 119.926 119.800 0.023 0.000 2.123 253 Q HA -0.095 4.245 4.340 -0.000 0.000 0.199 253 Q C 2.323 178.355 176.000 0.053 0.000 0.966 253 Q CA 1.105 56.915 55.803 0.013 0.000 0.845 253 Q CB 0.046 28.779 28.738 -0.009 0.000 0.907 253 Q HN 0.514 nan 8.270 nan 0.000 0.439 254 L N -0.122 121.158 121.223 0.094 0.000 2.093 254 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 254 L C 2.388 179.408 176.870 0.250 0.000 1.085 254 L CA 0.830 55.763 54.840 0.156 0.000 0.755 254 L CB -0.545 41.617 42.059 0.170 0.000 0.904 254 L HN 0.191 nan 8.230 nan 0.000 0.435 255 A N -0.657 122.311 122.820 0.247 0.000 2.070 255 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 255 A C 2.050 179.856 177.584 0.370 0.000 1.159 255 A CA 1.272 53.512 52.037 0.338 0.000 0.656 255 A CB -0.278 18.952 19.000 0.384 0.000 0.800 255 A HN 0.513 nan 8.150 nan 0.000 0.453 256 Q N -0.171 119.760 119.800 0.218 0.000 2.247 256 Q HA 0.197 4.537 4.340 -0.000 0.000 0.204 256 Q C -0.176 175.847 176.000 0.039 0.000 0.872 256 Q CA -0.327 55.551 55.803 0.125 0.000 0.951 256 Q CB 0.496 29.234 28.738 0.000 0.000 1.099 256 Q HN 0.493 nan 8.270 nan 0.000 0.501 257 S N 0.974 116.679 115.700 0.009 0.000 2.585 257 S HA 0.233 4.703 4.470 -0.000 0.000 0.273 257 S C 0.043 174.446 174.600 -0.329 0.000 1.339 257 S CA -0.180 57.873 58.200 -0.244 0.000 1.028 257 S CB 0.581 63.510 63.200 -0.451 0.000 0.906 257 S HN 0.231 nan 8.310 nan 0.000 0.528 258 R N 1.604 121.878 120.500 -0.377 0.000 2.204 258 R HA 0.245 4.585 4.340 -0.000 0.000 0.341 258 R C -0.332 175.765 176.300 -0.339 0.000 1.035 258 R CA -0.158 55.818 56.100 -0.207 0.000 0.887 258 R CB 0.378 30.533 30.300 -0.241 0.000 1.114 258 R HN 0.688 nan 8.270 nan 0.000 0.473 259 Y N 0.724 121.026 120.300 0.003 0.000 2.389 259 Y HA 0.112 4.662 4.550 -0.000 0.000 0.292 259 Y C 0.216 175.840 175.900 -0.460 0.000 1.117 259 Y CA 0.454 58.398 58.100 -0.259 0.000 1.195 259 Y CB 0.446 38.758 38.460 -0.246 0.000 1.076 259 Y HN 0.461 nan 8.280 nan 0.000 0.548 260 W N -0.411 121.059 121.300 0.284 0.000 3.031 260 W HA 0.586 5.246 4.660 0.000 0.000 0.337 260 W C -0.864 175.784 176.519 0.215 0.000 1.187 260 W CA -1.039 56.435 57.345 0.215 0.000 1.166 260 W CB 1.093 30.658 29.460 0.175 0.000 1.437 260 W HN -0.456 nan 8.180 nan 0.000 0.551 261 Q N 1.087 121.115 119.800 0.381 0.000 2.356 261 Q HA 0.655 4.995 4.340 -0.000 0.000 0.270 261 Q C -1.350 174.678 176.000 0.046 0.000 1.058 261 Q CA -0.515 55.336 55.803 0.080 0.000 0.802 261 Q CB 2.533 31.243 28.738 -0.047 0.000 1.303 261 Q HN 0.452 nan 8.270 nan 0.000 0.444 262 T N 2.432 116.952 114.554 -0.057 0.000 3.050 262 T HA 0.609 4.959 4.350 -0.000 0.000 0.310 262 T C 0.255 174.897 174.700 -0.097 0.000 0.978 262 T CA 0.755 62.829 62.100 -0.043 0.000 1.013 262 T CB 0.588 69.451 68.868 -0.008 0.000 1.000 262 T HN 1.080 nan 8.240 nan 0.000 0.447 263 G N 5.374 114.117 108.800 -0.094 0.000 2.556 263 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.283 263 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.283 263 G C 0.228 175.032 174.900 -0.159 0.000 1.177 263 G CA 0.698 45.738 45.100 -0.100 0.000 0.978 263 G HN 1.024 nan 8.290 nan 0.000 0.554 264 D N 0.161 120.474 120.400 -0.145 0.000 2.358 264 D HA 0.330 4.970 4.640 -0.000 0.000 0.224 264 D C 0.999 177.178 176.300 -0.201 0.000 1.123 264 D CA 0.290 54.192 54.000 -0.164 0.000 0.833 264 D CB 0.093 40.836 40.800 -0.094 0.000 0.946 264 D HN 0.593 nan 8.370 nan 0.000 0.505 265 M N 0.662 120.120 119.600 -0.237 0.000 2.508 265 M HA 0.445 4.925 4.480 -0.000 0.000 0.327 265 M C -1.770 174.374 176.300 -0.259 0.000 1.160 265 M CA -0.693 54.535 55.300 -0.119 0.000 0.980 265 M CB 1.976 34.599 32.600 0.039 0.000 1.693 265 M HN -0.170 nan 8.290 nan 0.000 0.452 266 Y N 1.539 121.944 120.300 0.176 0.000 2.409 266 Y HA 0.381 4.931 4.550 -0.000 0.000 0.343 266 Y C -0.398 175.658 175.900 0.260 0.000 0.973 266 Y CA -0.694 57.523 58.100 0.196 0.000 1.064 266 Y CB 1.727 40.269 38.460 0.137 0.000 1.207 266 Y HN 0.566 nan 8.280 nan 0.000 0.452 267 Q N 1.916 121.994 119.800 0.463 0.000 2.296 267 Q HA 0.568 4.908 4.340 -0.000 0.000 0.257 267 Q C -0.083 176.210 176.000 0.488 0.000 0.942 267 Q CA -0.186 55.890 55.803 0.455 0.000 0.939 267 Q CB 1.156 30.172 28.738 0.464 0.000 1.198 267 Q HN 0.894 nan 8.270 nan 0.000 0.429 268 G N 2.690 111.751 108.800 0.435 0.000 2.857 268 G HA2 0.507 4.467 3.960 -0.000 0.000 0.217 268 G HA3 0.507 4.467 3.960 -0.000 0.000 0.217 268 G C -0.984 174.106 174.900 0.316 0.000 1.357 268 G CA -0.864 44.519 45.100 0.472 0.000 1.033 268 G HN 0.591 nan 8.290 nan 0.000 0.571 269 L N 1.305 122.692 121.223 0.273 0.000 2.282 269 L HA 0.434 4.774 4.340 -0.000 0.000 0.287 269 L C 1.416 178.366 176.870 0.133 0.000 1.075 269 L CA 0.551 55.433 54.840 0.069 0.000 0.839 269 L CB 0.382 42.481 42.059 0.067 0.000 1.219 269 L HN 1.061 nan 8.230 nan 0.000 0.434 270 G N 2.186 111.037 108.800 0.084 0.000 3.909 270 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 270 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 270 G C 0.013 174.990 174.900 0.130 0.000 1.404 270 G CA -0.215 44.933 45.100 0.079 0.000 0.905 270 G HN 0.510 nan 8.290 nan 0.000 0.589 271 W N 2.207 123.650 121.300 0.238 0.000 2.137 271 W HA 0.588 5.248 4.660 -0.000 0.000 0.344 271 W C 0.786 177.456 176.519 0.251 0.000 1.286 271 W CA -0.197 57.281 57.345 0.222 0.000 1.240 271 W CB 0.445 30.006 29.460 0.167 0.000 1.141 271 W HN 0.312 nan 8.180 nan 0.000 0.579 272 E N 1.561 122.112 120.200 0.584 0.000 2.238 272 E HA 0.536 4.886 4.350 -0.000 0.000 0.267 272 E C -0.859 176.030 176.600 0.482 0.000 0.887 272 E CA -1.078 55.624 56.400 0.503 0.000 0.769 272 E CB 1.751 31.743 29.700 0.485 0.000 1.187 272 E HN 0.175 nan 8.360 nan 0.000 0.416 273 M N 2.022 121.857 119.600 0.392 0.000 2.572 273 M HA 0.520 4.999 4.480 -0.000 0.000 0.299 273 M C -1.496 175.020 176.300 0.361 0.000 1.205 273 M CA -0.389 55.090 55.300 0.298 0.000 0.876 273 M CB 1.736 34.451 32.600 0.192 0.000 1.728 273 M HN 0.307 nan 8.290 nan 0.000 0.458 274 L N 0.229 121.635 121.223 0.304 0.000 2.393 274 L HA 0.549 4.889 4.340 -0.000 0.000 0.260 274 L C -0.864 176.173 176.870 0.279 0.000 1.002 274 L CA -0.740 54.277 54.840 0.295 0.000 0.818 274 L CB 1.999 44.141 42.059 0.139 0.000 1.369 274 L HN 0.549 nan 8.230 nan 0.000 0.412 275 D N 0.737 121.291 120.400 0.256 0.000 2.414 275 D HA 0.019 4.659 4.640 -0.000 0.000 0.242 275 D C -1.005 175.428 176.300 0.221 0.000 1.129 275 D CA 0.150 54.271 54.000 0.201 0.000 0.885 275 D CB 1.273 42.163 40.800 0.149 0.000 1.198 275 D HN 0.337 nan 8.370 nan 0.000 0.437 276 W N 4.212 125.567 121.300 0.092 0.000 2.551 276 W HA 0.296 4.956 4.660 -0.000 0.000 0.330 276 W C -2.279 174.289 176.519 0.081 0.000 1.063 276 W CA -1.794 55.620 57.345 0.115 0.000 1.222 276 W CB 1.100 30.650 29.460 0.150 0.000 1.349 276 W HN 0.240 nan 8.180 nan 0.000 0.536 277 P HA 0.162 nan 4.420 nan 0.000 0.272 277 P C -1.063 175.868 177.300 -0.615 0.000 1.223 277 P CA -0.127 62.179 63.100 -1.322 0.000 0.784 277 P CB 2.258 33.429 31.700 -0.883 0.000 0.923 278 V N 1.512 121.046 119.914 -0.633 0.000 3.019 278 V HA 0.359 4.479 4.120 -0.000 0.000 0.317 278 V C -0.213 175.605 176.094 -0.460 0.000 1.094 278 V CA -0.955 61.111 62.300 -0.391 0.000 1.000 278 V CB 1.908 33.520 31.823 -0.350 0.000 1.060 278 V HN 0.700 nan 8.190 nan 0.000 0.443 279 N N 4.883 123.337 118.700 -0.410 0.000 2.414 279 N HA 0.394 5.134 4.740 -0.000 0.000 0.256 279 N C -1.448 173.691 175.510 -0.619 0.000 1.029 279 N CA -2.033 50.750 53.050 -0.445 0.000 0.948 279 N CB 1.614 39.920 38.487 -0.302 0.000 1.102 279 N HN 0.377 nan 8.380 nan 0.000 0.496 280 P HA -0.151 nan 4.420 nan 0.000 0.216 280 P C 0.232 177.171 177.300 -0.602 0.000 1.153 280 P CA 1.229 63.650 63.100 -1.131 0.000 0.858 280 P CB 0.430 31.038 31.700 -1.819 0.000 0.789 281 D N -0.549 119.584 120.400 -0.445 0.000 2.218 281 D HA -0.101 4.539 4.640 -0.000 0.000 0.204 281 D C 2.190 178.352 176.300 -0.229 0.000 0.976 281 D CA 1.000 54.834 54.000 -0.276 0.000 0.853 281 D CB -0.473 40.199 40.800 -0.213 0.000 0.939 281 D HN 0.185 nan 8.370 nan 0.000 0.481 282 S N 0.516 116.059 115.700 -0.260 0.000 2.345 282 S HA -0.091 4.379 4.470 -0.000 0.000 0.219 282 S C 2.184 176.685 174.600 -0.166 0.000 1.031 282 S CA 0.867 58.950 58.200 -0.195 0.000 0.984 282 S CB -0.186 62.895 63.200 -0.199 0.000 0.874 282 S HN 0.373 nan 8.310 nan 0.000 0.451 283 I N -0.663 119.770 120.570 -0.229 0.000 2.394 283 I HA -0.033 4.137 4.170 -0.000 0.000 0.251 283 I C 2.134 178.216 176.117 -0.060 0.000 1.136 283 I CA 1.189 62.418 61.300 -0.118 0.000 1.425 283 I CB -0.559 37.294 38.000 -0.244 0.000 1.079 283 I HN 0.263 nan 8.210 nan 0.000 0.425 284 I N 2.007 122.492 120.570 -0.141 0.000 2.133 284 I HA -0.246 3.924 4.170 -0.000 0.000 0.238 284 I C 2.417 178.486 176.117 -0.080 0.000 1.074 284 I CA 1.574 62.812 61.300 -0.102 0.000 1.342 284 I CB -0.616 37.307 38.000 -0.130 0.000 1.053 284 I HN 0.300 nan 8.210 nan 0.000 0.404 285 N N 1.070 119.715 118.700 -0.092 0.000 2.166 285 N HA -0.115 4.625 4.740 -0.000 0.000 0.186 285 N C 1.821 177.296 175.510 -0.058 0.000 1.019 285 N CA 1.588 54.594 53.050 -0.073 0.000 0.856 285 N CB -0.644 37.796 38.487 -0.078 0.000 0.993 285 N HN 0.427 nan 8.380 nan 0.000 0.426 286 G N 0.328 109.095 108.800 -0.054 0.000 2.509 286 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 286 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 286 G C 1.544 176.429 174.900 -0.024 0.000 1.124 286 G CA 1.024 46.104 45.100 -0.033 0.000 0.776 286 G HN 0.488 nan 8.290 nan 0.000 0.547 287 S N -0.395 115.291 115.700 -0.024 0.000 2.558 287 S HA 0.037 4.506 4.470 -0.000 0.000 0.217 287 S C 0.721 175.275 174.600 -0.075 0.000 0.975 287 S CA -0.122 58.052 58.200 -0.043 0.000 0.912 287 S CB 0.042 63.217 63.200 -0.042 0.000 0.776 287 S HN 0.268 nan 8.310 nan 0.000 0.526 288 D N 2.198 122.561 120.400 -0.063 0.000 2.458 288 D HA 0.056 4.696 4.640 -0.000 0.000 0.243 288 D C 0.382 176.646 176.300 -0.060 0.000 1.146 288 D CA 0.061 54.027 54.000 -0.058 0.000 0.877 288 D CB 0.509 41.282 40.800 -0.046 0.000 1.176 288 D HN 0.087 nan 8.370 nan 0.000 0.461 289 N N 3.504 122.170 118.700 -0.056 0.000 2.430 289 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 289 N C 1.495 176.985 175.510 -0.033 0.000 1.032 289 N CA 0.477 53.496 53.050 -0.052 0.000 0.893 289 N CB -0.072 38.395 38.487 -0.033 0.000 0.957 289 N HN 0.570 nan 8.380 nan 0.000 0.442 290 K N 0.619 121.002 120.400 -0.027 0.000 2.074 290 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 290 K C 1.741 178.329 176.600 -0.020 0.000 1.048 290 K CA 1.151 57.428 56.287 -0.017 0.000 0.926 290 K CB 0.049 32.538 32.500 -0.019 0.000 0.713 290 K HN 0.139 nan 8.250 nan 0.000 0.444 291 I N -0.624 119.926 120.570 -0.033 0.000 2.685 291 I HA -0.037 4.133 4.170 -0.000 0.000 0.251 291 I C 2.288 178.375 176.117 -0.050 0.000 1.102 291 I CA 0.579 61.857 61.300 -0.037 0.000 1.442 291 I CB -0.247 37.729 38.000 -0.040 0.000 1.194 291 I HN 0.138 nan 8.210 nan 0.000 0.448 292 A N 1.126 123.899 122.820 -0.078 0.000 2.042 292 A HA -0.174 4.146 4.320 -0.000 0.000 0.222 292 A C 2.163 179.659 177.584 -0.147 0.000 1.167 292 A CA 1.641 53.593 52.037 -0.143 0.000 0.649 292 A CB -0.774 18.102 19.000 -0.208 0.000 0.809 292 A HN 0.456 nan 8.150 nan 0.000 0.457 293 L N -1.512 119.672 121.223 -0.064 0.000 2.554 293 L HA 0.231 4.571 4.340 -0.000 0.000 0.225 293 L C 1.364 178.261 176.870 0.045 0.000 1.104 293 L CA 0.020 54.870 54.840 0.017 0.000 0.866 293 L CB -0.397 41.687 42.059 0.042 0.000 1.047 293 L HN 0.381 nan 8.230 nan 0.000 0.468 294 A N 0.832 123.662 122.820 0.017 0.000 2.351 294 A HA 0.607 4.926 4.320 -0.000 0.000 0.257 294 A C 0.441 178.030 177.584 0.008 0.000 1.087 294 A CA -0.085 51.968 52.037 0.026 0.000 0.798 294 A CB 0.356 19.359 19.000 0.005 0.000 1.033 294 A HN 0.200 nan 8.150 nan 0.000 0.488 295 A N 1.873 124.695 122.820 0.004 0.000 2.425 295 A HA 0.615 4.934 4.320 -0.000 0.000 0.249 295 A C 0.390 177.872 177.584 -0.169 0.000 1.084 295 A CA -0.203 51.764 52.037 -0.118 0.000 0.781 295 A CB 0.227 19.075 19.000 -0.254 0.000 1.019 295 A HN 0.762 nan 8.150 nan 0.000 0.490 296 R N 1.677 122.052 120.500 -0.209 0.000 2.651 296 R HA 0.454 4.793 4.340 -0.000 0.000 0.278 296 R C -3.156 173.017 176.300 -0.212 0.000 1.010 296 R CA -1.881 54.118 56.100 -0.169 0.000 0.896 296 R CB 2.155 32.400 30.300 -0.091 0.000 1.211 296 R HN 0.561 nan 8.270 nan 0.000 0.456 297 P HA 0.110 nan 4.420 nan 0.000 0.271 297 P C -0.258 176.988 177.300 -0.089 0.000 1.218 297 P CA -0.251 62.749 63.100 -0.166 0.000 0.780 297 P CB 0.946 32.574 31.700 -0.121 0.000 0.901 298 V N -0.360 119.513 119.914 -0.068 0.000 2.769 298 V HA 0.603 4.722 4.120 -0.000 0.000 0.312 298 V C -0.281 175.935 176.094 0.203 0.000 1.061 298 V CA -1.099 61.234 62.300 0.055 0.000 0.931 298 V CB 2.076 33.869 31.823 -0.051 0.000 1.010 298 V HN 0.496 nan 8.190 nan 0.000 0.433 299 K N 3.115 123.687 120.400 0.286 0.000 2.235 299 K HA 0.788 5.108 4.320 -0.000 0.000 0.266 299 K C 0.020 176.857 176.600 0.395 0.000 0.980 299 K CA -0.324 56.130 56.287 0.278 0.000 0.849 299 K CB 1.646 34.241 32.500 0.158 0.000 1.098 299 K HN 1.202 nan 8.250 nan 0.000 0.445 300 A N 4.958 127.982 122.820 0.339 0.000 2.445 300 A HA 0.293 4.613 4.320 -0.000 0.000 0.242 300 A C -0.078 177.457 177.584 -0.081 0.000 1.075 300 A CA -0.266 51.730 52.037 -0.069 0.000 0.777 300 A CB 0.015 18.894 19.000 -0.203 0.000 1.013 300 A HN 0.810 nan 8.150 nan 0.000 0.493 301 I N 2.394 122.841 120.570 -0.205 0.000 2.337 301 I HA 0.205 4.375 4.170 -0.000 0.000 0.285 301 I C -0.329 175.687 176.117 -0.168 0.000 1.041 301 I CA -0.015 61.217 61.300 -0.113 0.000 1.199 301 I CB 1.293 39.247 38.000 -0.077 0.000 1.370 301 I HN 0.547 nan 8.210 nan 0.000 0.470 302 T N 6.275 120.764 114.554 -0.108 0.000 2.821 302 T HA 0.428 4.778 4.350 -0.000 0.000 0.307 302 T C -1.621 173.038 174.700 -0.068 0.000 1.034 302 T CA -0.973 61.071 62.100 -0.094 0.000 0.953 302 T CB 0.776 69.606 68.868 -0.063 0.000 0.968 302 T HN 0.448 nan 8.240 nan 0.000 0.462 303 P HA 0.535 nan 4.420 nan 0.000 0.284 303 P C -3.048 174.161 177.300 -0.152 0.000 1.292 303 P CA -2.123 60.916 63.100 -0.101 0.000 0.800 303 P CB -0.034 31.622 31.700 -0.074 0.000 1.188 304 P HA 0.078 nan 4.420 nan 0.000 0.266 304 P C -0.350 176.781 177.300 -0.281 0.000 1.195 304 P CA 0.429 63.320 63.100 -0.348 0.000 0.768 304 P CB -0.055 31.285 31.700 -0.600 0.000 0.838 305 T N 5.096 119.480 114.554 -0.284 0.000 2.832 305 T HA 0.270 4.619 4.350 -0.000 0.000 0.296 305 T C -2.159 172.402 174.700 -0.232 0.000 0.968 305 T CA -1.156 60.809 62.100 -0.226 0.000 1.107 305 T CB -0.041 68.684 68.868 -0.239 0.000 0.916 305 T HN 0.260 nan 8.240 nan 0.000 0.517 306 P HA 0.224 nan 4.420 nan 0.000 0.269 306 P C -0.492 176.730 177.300 -0.129 0.000 1.215 306 P CA -0.460 62.559 63.100 -0.134 0.000 0.780 306 P CB 0.292 31.936 31.700 -0.095 0.000 0.898 307 A N 2.636 125.395 122.820 -0.102 0.000 2.592 307 A HA 0.011 4.331 4.320 -0.000 0.000 0.250 307 A C 0.182 177.712 177.584 -0.089 0.000 1.017 307 A CA 0.363 52.347 52.037 -0.088 0.000 0.794 307 A CB -0.843 18.119 19.000 -0.063 0.000 0.917 307 A HN 0.375 nan 8.150 nan 0.000 0.515 308 V N 6.472 126.328 119.914 -0.097 0.000 2.385 308 V HA 0.130 4.250 4.120 -0.000 0.000 0.269 308 V C 1.564 177.626 176.094 -0.055 0.000 1.043 308 V CA -0.580 61.672 62.300 -0.080 0.000 0.906 308 V CB 0.942 32.707 31.823 -0.097 0.000 0.995 308 V HN 1.037 nan 8.190 nan 0.000 0.467 309 R N 3.918 124.391 120.500 -0.045 0.000 2.096 309 R HA -0.116 4.224 4.340 -0.000 0.000 0.240 309 R C 1.413 177.699 176.300 -0.023 0.000 1.139 309 R CA 1.560 57.636 56.100 -0.041 0.000 0.952 309 R CB -0.418 29.859 30.300 -0.039 0.000 0.854 309 R HN 0.736 nan 8.270 nan 0.000 0.436 310 A N 1.927 124.759 122.820 0.020 0.000 3.077 310 A HA 0.233 4.553 4.320 -0.000 0.000 0.255 310 A C -0.382 177.300 177.584 0.162 0.000 1.728 310 A CA 0.079 52.178 52.037 0.103 0.000 1.383 310 A CB -0.106 18.979 19.000 0.142 0.000 1.097 310 A HN 0.083 nan 8.150 nan 0.000 0.634 311 S N 0.302 116.060 115.700 0.096 0.000 2.570 311 S HA 0.536 5.006 4.470 -0.000 0.000 0.286 311 S C -0.921 173.758 174.600 0.131 0.000 1.099 311 S CA -0.586 57.694 58.200 0.133 0.000 0.913 311 S CB 1.225 64.427 63.200 0.003 0.000 1.085 311 S HN 0.679 nan 8.310 nan 0.000 0.480 312 W N 3.960 125.289 121.300 0.048 0.000 2.308 312 W HA 0.550 5.210 4.660 -0.000 0.000 0.311 312 W C -1.841 174.536 176.519 -0.236 0.000 1.088 312 W CA -0.557 56.772 57.345 -0.027 0.000 1.309 312 W CB 0.460 30.023 29.460 0.173 0.000 1.229 312 W HN 0.325 nan 8.180 nan 0.000 0.427 313 V N 7.761 127.234 119.914 -0.735 0.000 2.435 313 V HA 0.419 4.538 4.120 -0.000 0.000 0.290 313 V C 0.073 175.741 176.094 -0.711 0.000 1.030 313 V CA -0.257 61.558 62.300 -0.809 0.000 0.881 313 V CB 1.110 31.941 31.823 -1.653 0.000 0.983 313 V HN 0.692 nan 8.190 nan 0.000 0.445 314 H N 2.648 121.638 119.070 -0.134 0.000 2.918 314 H HA 0.906 5.462 4.556 -0.000 0.000 0.303 314 H C -1.294 174.288 175.328 0.423 0.000 1.380 314 H CA -1.312 54.787 56.048 0.086 0.000 1.134 314 H CB 2.107 31.939 29.762 0.117 0.000 1.842 314 H HN 0.426 nan 8.280 nan 0.000 0.533 315 K N 1.149 121.653 120.400 0.173 0.000 2.584 315 K HA 0.216 4.536 4.320 -0.000 0.000 0.260 315 K C -1.343 175.376 176.600 0.199 0.000 0.949 315 K CA 0.146 56.497 56.287 0.106 0.000 0.888 315 K CB 1.694 34.271 32.500 0.128 0.000 1.330 315 K HN 0.961 nan 8.250 nan 0.000 0.432 316 T N -0.008 114.665 114.554 0.199 0.000 2.874 316 T HA 0.869 5.219 4.350 -0.000 0.000 0.281 316 T C 0.397 175.210 174.700 0.188 0.000 0.994 316 T CA -0.308 61.953 62.100 0.270 0.000 1.015 316 T CB 1.583 70.506 68.868 0.092 0.000 1.028 316 T HN 0.703 nan 8.240 nan 0.000 0.523 317 G N -0.917 107.994 108.800 0.185 0.000 2.759 317 G HA2 0.724 4.684 3.960 -0.000 0.000 0.297 317 G HA3 0.724 4.684 3.960 -0.000 0.000 0.297 317 G C -1.530 173.472 174.900 0.169 0.000 1.434 317 G CA -0.493 44.718 45.100 0.186 0.000 0.980 317 G HN 1.143 nan 8.290 nan 0.000 0.531 318 A N 0.517 123.435 122.820 0.163 0.000 2.604 318 A HA 0.990 5.310 4.320 -0.000 0.000 0.295 318 A C -0.124 177.549 177.584 0.150 0.000 1.067 318 A CA 0.092 52.229 52.037 0.166 0.000 0.683 318 A CB 1.652 20.716 19.000 0.108 0.000 1.281 318 A HN 1.987 nan 8.150 nan 0.000 0.407 319 T N -2.038 112.642 114.554 0.210 0.000 2.831 319 T HA 0.636 4.986 4.350 -0.000 0.000 0.287 319 T C 1.321 176.137 174.700 0.194 0.000 1.070 319 T CA 0.128 62.333 62.100 0.174 0.000 1.010 319 T CB 1.045 70.071 68.868 0.264 0.000 1.264 319 T HN 1.736 nan 8.240 nan 0.000 0.532 320 G N 0.022 108.917 108.800 0.159 0.000 2.505 320 G HA2 0.041 4.001 3.960 -0.000 0.000 0.220 320 G HA3 0.041 4.001 3.960 -0.000 0.000 0.220 320 G C 1.196 176.191 174.900 0.158 0.000 1.145 320 G CA 0.826 46.007 45.100 0.136 0.000 0.761 320 G HN 1.229 nan 8.290 nan 0.000 0.571 321 G N -1.422 107.514 108.800 0.228 0.000 3.324 321 G HA2 0.472 4.432 3.960 -0.000 0.000 0.251 321 G HA3 0.472 4.432 3.960 -0.000 0.000 0.251 321 G C -0.348 174.535 174.900 -0.028 0.000 1.072 321 G CA -0.501 44.650 45.100 0.086 0.000 0.787 321 G HN 0.214 nan 8.290 nan 0.000 0.537 322 F N -0.334 119.752 119.950 0.227 0.000 2.577 322 F HA 0.688 5.215 4.527 -0.000 0.000 0.318 322 F C 0.358 176.301 175.800 0.238 0.000 1.065 322 F CA -1.108 57.062 58.000 0.283 0.000 0.929 322 F CB 2.558 41.747 39.000 0.314 0.000 1.237 322 F HN -0.019 nan 8.300 nan 0.000 0.468 323 G N 0.891 109.970 108.800 0.464 0.000 2.702 323 G HA2 0.540 4.500 3.960 -0.000 0.000 0.295 323 G HA3 0.540 4.500 3.960 -0.000 0.000 0.295 323 G C -1.393 173.683 174.900 0.294 0.000 1.446 323 G CA -0.654 44.610 45.100 0.274 0.000 0.983 323 G HN 0.730 nan 8.290 nan 0.000 0.520 324 S N 1.211 117.056 115.700 0.241 0.000 2.634 324 S HA 0.870 5.340 4.470 -0.000 0.000 0.296 324 S C -1.386 173.407 174.600 0.321 0.000 1.104 324 S CA -0.985 57.374 58.200 0.266 0.000 0.920 324 S CB 2.489 65.837 63.200 0.247 0.000 1.111 324 S HN 1.028 nan 8.310 nan 0.000 0.493 325 Y N 0.033 120.438 120.300 0.175 0.000 2.521 325 Y HA 0.606 5.156 4.550 -0.000 0.000 0.332 325 Y C -2.026 174.025 175.900 0.251 0.000 1.121 325 Y CA -0.853 57.364 58.100 0.195 0.000 1.037 325 Y CB 1.545 40.116 38.460 0.185 0.000 1.330 325 Y HN 0.780 nan 8.280 nan 0.000 0.452 326 V N 4.054 123.767 119.914 -0.335 0.000 2.686 326 V HA 0.978 5.098 4.120 -0.000 0.000 0.306 326 V C -0.941 174.901 176.094 -0.420 0.000 1.065 326 V CA -0.294 61.917 62.300 -0.148 0.000 0.894 326 V CB 1.516 33.527 31.823 0.313 0.000 1.004 326 V HN 1.043 nan 8.190 nan 0.000 0.424 327 A N 4.613 127.228 122.820 -0.340 0.000 2.517 327 A HA 1.017 5.337 4.320 -0.000 0.000 0.297 327 A C -1.323 175.989 177.584 -0.453 0.000 1.050 327 A CA -0.506 51.181 52.037 -0.583 0.000 0.694 327 A CB 1.741 20.271 19.000 -0.784 0.000 1.277 327 A HN 1.557 nan 8.150 nan 0.000 0.400 328 F N -0.441 119.084 119.950 -0.709 0.000 2.668 328 F HA 0.836 5.363 4.527 -0.000 0.000 0.309 328 F C -1.457 174.008 175.800 -0.558 0.000 1.117 328 F CA -1.284 56.376 58.000 -0.568 0.000 0.951 328 F CB 1.262 39.989 39.000 -0.455 0.000 1.323 328 F HN 0.318 nan 8.300 nan 0.000 0.451 329 I N 2.805 123.226 120.570 -0.248 0.000 2.466 329 I HA 0.319 4.489 4.170 -0.000 0.000 0.279 329 I C -2.120 173.904 176.117 -0.154 0.000 1.033 329 I CA -1.907 59.205 61.300 -0.313 0.000 1.123 329 I CB 1.795 39.445 38.000 -0.584 0.000 1.237 329 I HN 0.385 nan 8.210 nan 0.000 0.460 330 P HA -0.261 nan 4.420 nan 0.000 0.215 330 P C 1.458 178.693 177.300 -0.108 0.000 1.163 330 P CA 1.378 64.447 63.100 -0.052 0.000 0.894 330 P CB 0.257 31.938 31.700 -0.031 0.000 0.791 331 E N -0.361 119.772 120.200 -0.113 0.000 2.267 331 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 331 E C 1.131 177.653 176.600 -0.130 0.000 0.998 331 E CA 1.148 57.487 56.400 -0.102 0.000 0.830 331 E CB -0.164 29.494 29.700 -0.069 0.000 0.751 331 E HN 0.064 nan 8.360 nan 0.000 0.491 332 K N 0.262 120.550 120.400 -0.186 0.000 2.358 332 K HA 0.059 4.379 4.320 -0.000 0.000 0.197 332 K C -0.210 176.278 176.600 -0.186 0.000 1.025 332 K CA 0.372 56.542 56.287 -0.195 0.000 1.104 332 K CB 0.529 32.866 32.500 -0.271 0.000 0.855 332 K HN 0.198 nan 8.250 nan 0.000 0.531 333 E N 0.781 120.880 120.200 -0.168 0.000 2.360 333 E HA -0.232 4.118 4.350 -0.000 0.000 0.238 333 E C -0.674 175.835 176.600 -0.151 0.000 1.186 333 E CA 0.231 56.532 56.400 -0.164 0.000 0.719 333 E CB -1.573 28.026 29.700 -0.170 0.000 1.236 333 E HN 0.023 nan 8.360 nan 0.000 0.386 334 L N 0.009 121.146 121.223 -0.142 0.000 2.381 334 L HA 0.757 5.097 4.340 -0.000 0.000 0.274 334 L C 0.124 176.942 176.870 -0.086 0.000 0.988 334 L CA 0.106 54.889 54.840 -0.095 0.000 0.824 334 L CB 1.943 43.929 42.059 -0.121 0.000 1.263 334 L HN 0.092 nan 8.230 nan 0.000 0.410 335 G N 4.484 113.265 108.800 -0.032 0.000 2.692 335 G HA2 0.660 4.620 3.960 -0.000 0.000 0.291 335 G HA3 0.660 4.620 3.960 -0.000 0.000 0.291 335 G C -2.145 172.774 174.900 0.031 0.000 1.423 335 G CA -0.490 44.599 45.100 -0.019 0.000 0.843 335 G HN 0.740 nan 8.290 nan 0.000 0.486 336 I N 0.140 120.733 120.570 0.038 0.000 2.752 336 I HA 0.644 4.814 4.170 -0.000 0.000 0.295 336 I C -1.386 174.810 176.117 0.132 0.000 1.219 336 I CA -0.989 60.377 61.300 0.109 0.000 1.030 336 I CB 2.292 40.376 38.000 0.140 0.000 1.259 336 I HN 0.343 nan 8.210 nan 0.000 0.423 337 V N 7.524 127.553 119.914 0.192 0.000 2.531 337 V HA 0.503 4.623 4.120 -0.000 0.000 0.301 337 V C -0.426 175.813 176.094 0.241 0.000 1.034 337 V CA -0.420 62.008 62.300 0.213 0.000 0.865 337 V CB 1.779 33.741 31.823 0.231 0.000 0.995 337 V HN 0.650 nan 8.190 nan 0.000 0.424 338 M N 6.360 126.113 119.600 0.256 0.000 2.046 338 M HA 0.567 5.047 4.480 -0.000 0.000 0.309 338 M C -1.266 175.148 176.300 0.190 0.000 0.935 338 M CA -0.118 55.340 55.300 0.263 0.000 0.915 338 M CB 1.608 34.418 32.600 0.349 0.000 1.474 338 M HN 0.388 nan 8.290 nan 0.000 0.415 339 L N 3.118 124.349 121.223 0.012 0.000 2.298 339 L HA 0.914 5.254 4.340 -0.000 0.000 0.284 339 L C -0.277 176.429 176.870 -0.273 0.000 1.013 339 L CA -0.648 54.029 54.840 -0.271 0.000 0.824 339 L CB 1.537 43.061 42.059 -0.892 0.000 1.221 339 L HN 0.756 nan 8.230 nan 0.000 0.418 340 A N 2.291 125.215 122.820 0.172 0.000 2.386 340 A HA 0.580 4.900 4.320 -0.000 0.000 0.311 340 A C -0.333 177.606 177.584 0.591 0.000 1.068 340 A CA -0.773 51.501 52.037 0.395 0.000 0.743 340 A CB 1.149 20.377 19.000 0.380 0.000 1.258 340 A HN 0.743 nan 8.150 nan 0.000 0.429 341 N N 1.551 120.546 118.700 0.492 0.000 3.052 341 N HA 0.207 4.947 4.740 -0.000 0.000 0.302 341 N C -0.573 174.917 175.510 -0.032 0.000 1.332 341 N CA -0.133 52.896 53.050 -0.036 0.000 1.129 341 N CB 0.156 38.616 38.487 -0.044 0.000 1.436 341 N HN 0.608 nan 8.380 nan 0.000 0.536 342 K N 0.397 120.867 120.400 0.115 0.000 2.579 342 K HA 0.136 4.456 4.320 -0.000 0.000 0.257 342 K C -1.780 175.004 176.600 0.307 0.000 0.950 342 K CA -0.602 55.789 56.287 0.172 0.000 0.862 342 K CB 0.952 33.549 32.500 0.162 0.000 1.317 342 K HN 0.048 nan 8.250 nan 0.000 0.436 343 N N 4.280 123.122 118.700 0.237 0.000 2.448 343 N HA 0.096 4.836 4.740 -0.000 0.000 0.250 343 N C -1.261 174.381 175.510 0.220 0.000 1.136 343 N CA 0.014 53.194 53.050 0.217 0.000 0.953 343 N CB -0.094 38.484 38.487 0.153 0.000 1.251 343 N HN 0.429 nan 8.380 nan 0.000 0.502 344 Y N 1.584 121.931 120.300 0.079 0.000 2.534 344 Y HA 0.737 5.287 4.550 -0.000 0.000 0.329 344 Y C -2.482 173.441 175.900 0.038 0.000 1.154 344 Y CA -3.508 54.622 58.100 0.050 0.000 1.192 344 Y CB -0.701 37.783 38.460 0.040 0.000 1.275 344 Y HN 0.281 nan 8.280 nan 0.000 0.491 345 P HA -0.058 nan 4.420 nan 0.000 0.257 345 P C 0.252 177.440 177.300 -0.187 0.000 1.162 345 P CA 0.581 63.645 63.100 -0.060 0.000 0.762 345 P CB 0.565 32.280 31.700 0.025 0.000 0.753 346 N N 5.239 123.831 118.700 -0.180 0.000 2.091 346 N HA -0.166 4.574 4.740 -0.000 0.000 0.193 346 N C -0.832 174.567 175.510 -0.185 0.000 1.021 346 N CA 1.899 54.822 53.050 -0.211 0.000 0.862 346 N CB -1.764 36.633 38.487 -0.150 0.000 1.018 346 N HN 0.447 nan 8.380 nan 0.000 0.429 347 P HA -0.094 nan 4.420 nan 0.000 0.216 347 P C 1.125 178.400 177.300 -0.042 0.000 1.153 347 P CA 1.718 64.774 63.100 -0.073 0.000 0.858 347 P CB -0.099 31.574 31.700 -0.045 0.000 0.789 348 A N -0.185 122.635 122.820 0.001 0.000 1.972 348 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 348 A C 2.179 179.831 177.584 0.113 0.000 1.169 348 A CA 1.471 53.564 52.037 0.093 0.000 0.635 348 A CB -0.925 18.206 19.000 0.219 0.000 0.810 348 A HN 0.126 nan 8.150 nan 0.000 0.446 349 R N -0.636 119.863 120.500 -0.002 0.000 2.061 349 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 349 R C 2.004 178.238 176.300 -0.110 0.000 1.140 349 R CA 1.463 57.544 56.100 -0.032 0.000 0.940 349 R CB -0.916 29.220 30.300 -0.275 0.000 0.839 349 R HN 0.317 nan 8.270 nan 0.000 0.429 350 V N 2.207 121.927 119.914 -0.323 0.000 2.324 350 V HA -0.281 3.839 4.120 -0.000 0.000 0.250 350 V C 2.071 178.262 176.094 0.161 0.000 1.060 350 V CA 2.256 64.470 62.300 -0.144 0.000 1.042 350 V CB -0.660 31.095 31.823 -0.114 0.000 0.650 350 V HN 0.359 nan 8.190 nan 0.000 0.450 351 D N 0.402 120.860 120.400 0.096 0.000 2.097 351 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 351 D C 2.120 178.558 176.300 0.230 0.000 0.989 351 D CA 1.745 55.837 54.000 0.154 0.000 0.827 351 D CB -0.197 40.653 40.800 0.083 0.000 0.966 351 D HN 0.367 nan 8.370 nan 0.000 0.456 352 A N 0.501 123.432 122.820 0.185 0.000 1.902 352 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 352 A C 2.415 180.149 177.584 0.250 0.000 1.181 352 A CA 2.379 54.521 52.037 0.176 0.000 0.623 352 A CB -1.120 17.964 19.000 0.139 0.000 0.818 352 A HN 0.340 nan 8.150 nan 0.000 0.443 353 A N -1.800 121.238 122.820 0.363 0.000 1.902 353 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 353 A C 1.991 179.911 177.584 0.561 0.000 1.181 353 A CA 1.550 53.885 52.037 0.497 0.000 0.623 353 A CB -0.870 18.610 19.000 0.800 0.000 0.818 353 A HN 0.812 nan 8.150 nan 0.000 0.443 354 W N 0.665 122.226 121.300 0.435 0.000 2.388 354 W HA -0.150 4.510 4.660 -0.000 0.000 0.294 354 W C 2.278 178.947 176.519 0.251 0.000 1.212 354 W CA 1.776 59.340 57.345 0.366 0.000 1.271 354 W CB -0.034 29.488 29.460 0.104 0.000 1.126 354 W HN 0.317 nan 8.180 nan 0.000 0.535 355 Q N 0.275 120.212 119.800 0.229 0.000 2.061 355 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 355 Q C 2.226 178.196 176.000 -0.051 0.000 0.984 355 Q CA 2.215 58.044 55.803 0.044 0.000 0.846 355 Q CB -1.013 27.789 28.738 0.105 0.000 0.902 355 Q HN 0.448 nan 8.270 nan 0.000 0.421 356 I N 0.256 120.846 120.570 0.034 0.000 2.110 356 I HA -0.271 3.899 4.170 -0.000 0.000 0.236 356 I C 2.367 178.480 176.117 -0.008 0.000 1.068 356 I CA 0.903 62.211 61.300 0.014 0.000 1.333 356 I CB -0.445 37.590 38.000 0.059 0.000 1.054 356 I HN 0.127 nan 8.210 nan 0.000 0.402 357 L N 0.498 121.751 121.223 0.049 0.000 2.079 357 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 357 L C 2.386 179.230 176.870 -0.043 0.000 1.081 357 L CA 1.634 56.498 54.840 0.040 0.000 0.752 357 L CB -0.920 41.221 42.059 0.137 0.000 0.896 357 L HN 0.472 nan 8.230 nan 0.000 0.433 358 N N 0.203 118.749 118.700 -0.257 0.000 2.309 358 N HA -0.140 4.600 4.740 -0.000 0.000 0.182 358 N C 1.757 177.150 175.510 -0.196 0.000 1.018 358 N CA 1.022 53.843 53.050 -0.381 0.000 0.876 358 N CB 0.215 37.954 38.487 -1.247 0.000 0.972 358 N HN 0.312 nan 8.380 nan 0.000 0.434 359 A N 0.578 123.303 122.820 -0.159 0.000 2.067 359 A HA 0.070 4.390 4.320 -0.000 0.000 0.217 359 A C 1.841 179.406 177.584 -0.033 0.000 1.156 359 A CA 0.472 52.458 52.037 -0.085 0.000 0.683 359 A CB -0.096 18.858 19.000 -0.077 0.000 0.808 359 A HN 0.289 nan 8.150 nan 0.000 0.455 360 L N -1.389 119.830 121.223 -0.008 0.000 2.607 360 L HA 0.396 4.735 4.340 -0.000 0.000 0.228 360 L C 0.985 177.938 176.870 0.138 0.000 1.123 360 L CA 0.455 55.336 54.840 0.068 0.000 0.890 360 L CB -0.334 41.772 42.059 0.078 0.000 1.103 360 L HN 0.617 nan 8.230 nan 0.000 0.468 361 Q N 0.000 119.850 119.800 0.083 0.000 2.315 361 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 361 Q CA 0.000 55.862 55.803 0.098 0.000 1.022 361 Q CB 0.000 28.759 28.738 0.035 0.000 1.108 361 Q HN 0.000 nan 8.270 nan 0.000 0.481