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 3jw7_1_H DATA FIRST_RESID 1 DATA SEQUENCE MKIKQVHVRA SKIKLKETFT IALGTIESAD SAIVEIETEE GLVGYGEGGP DATA SEQUENCE GIFITGETLA GTLETIELFG QAIIGLNPFN IEKIHEVMDK ISAFAPAAKA DATA SEQUENCE AIDIACYDLM GQKAQLPLYQ LLGGYDNQVI TDITLGIDEP NVMAQKAVEK DATA SEQUENCE VKLGFDTLKI KVGTGIEADI ARVKAIREAV GFDIKLRLDA NQAWTPKDAV DATA SEQUENCE KAIQALADYQ IELVEQPVKR RDLEGLKYVT SQVNTTIMAD ESCFDAQDAL DATA SEQUENCE ELVKKGTVDV INIKLMKCGG IHEALKINQI CETAGIECMI GCMAEETTIG DATA SEQUENCE ITAAAHLAAA QKNITRADLD ATFGLETAPV TGGVSLEAKP LLELGEAAGL DATA SEQUENCE GIS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.320 176.300 0.033 0.000 1.140 1 M CA 0.000 55.334 55.300 0.057 0.000 0.988 1 M CB 0.000 32.670 32.600 0.117 0.000 1.302 2 K N 4.771 125.177 120.400 0.010 0.000 2.443 2 K HA 0.611 4.931 4.320 -0.000 0.000 0.252 2 K C -1.150 175.438 176.600 -0.019 0.000 0.933 2 K CA -0.731 55.553 56.287 -0.006 0.000 0.792 2 K CB 2.548 35.044 32.500 -0.008 0.000 1.185 2 K HN 0.622 nan 8.250 nan 0.000 0.425 3 I N 3.408 123.959 120.570 -0.032 0.000 2.598 3 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 3 I C 1.439 177.534 176.117 -0.037 0.000 1.140 3 I CA 0.391 61.666 61.300 -0.042 0.000 1.420 3 I CB 0.633 38.598 38.000 -0.058 0.000 1.387 3 I HN 0.707 nan 8.210 nan 0.000 0.553 4 K N 4.482 124.863 120.400 -0.031 0.000 2.141 4 K HA 0.052 4.372 4.320 -0.000 0.000 0.202 4 K C 0.455 177.025 176.600 -0.051 0.000 1.045 4 K CA 0.668 56.938 56.287 -0.027 0.000 0.971 4 K CB 0.463 32.959 32.500 -0.007 0.000 0.795 4 K HN 0.571 nan 8.250 nan 0.000 0.459 5 Q N -0.208 119.550 119.800 -0.070 0.000 2.435 5 Q HA 0.337 4.677 4.340 -0.000 0.000 0.282 5 Q C -2.131 173.718 176.000 -0.251 0.000 1.020 5 Q CA -0.698 54.995 55.803 -0.183 0.000 0.820 5 Q CB 2.545 31.137 28.738 -0.243 0.000 1.436 5 Q HN -0.027 nan 8.270 nan 0.000 0.395 6 V N 3.746 123.460 119.914 -0.333 0.000 2.378 6 V HA 0.505 4.625 4.120 -0.000 0.000 0.288 6 V C -1.052 174.838 176.094 -0.339 0.000 1.016 6 V CA -0.636 61.525 62.300 -0.232 0.000 0.840 6 V CB 1.193 32.950 31.823 -0.110 0.000 0.994 6 V HN 0.804 nan 8.190 nan 0.000 0.431 7 H N 2.585 121.624 119.070 -0.052 0.000 2.499 7 H HA 0.818 5.374 4.556 -0.000 0.000 0.340 7 H C -0.455 174.851 175.328 -0.037 0.000 1.148 7 H CA -0.691 55.331 56.048 -0.043 0.000 1.215 7 H CB 2.078 31.810 29.762 -0.050 0.000 1.529 7 H HN 0.469 nan 8.280 nan 0.000 0.510 8 V N 3.027 122.990 119.914 0.082 0.000 2.888 8 V HA 0.656 4.776 4.120 -0.000 0.000 0.309 8 V C -1.395 174.720 176.094 0.035 0.000 1.114 8 V CA -0.710 61.616 62.300 0.042 0.000 0.940 8 V CB 1.745 33.572 31.823 0.008 0.000 1.021 8 V HN 1.032 nan 8.190 nan 0.000 0.426 9 R N 4.853 125.370 120.500 0.029 0.000 2.774 9 R HA 0.913 5.253 4.340 -0.000 0.000 0.272 9 R C -0.944 175.363 176.300 0.012 0.000 1.000 9 R CA -0.503 55.609 56.100 0.021 0.000 0.906 9 R CB 2.040 32.356 30.300 0.026 0.000 1.227 9 R HN 0.983 nan 8.270 nan 0.000 0.468 10 A N 0.995 123.818 122.820 0.005 0.000 2.331 10 A HA 0.493 4.813 4.320 -0.000 0.000 0.283 10 A C -0.449 177.137 177.584 0.002 0.000 1.142 10 A CA -0.451 51.585 52.037 -0.001 0.000 0.812 10 A CB 1.179 20.175 19.000 -0.007 0.000 1.074 10 A HN 0.630 nan 8.150 nan 0.000 0.497 11 S N 1.539 117.239 115.700 -0.001 0.000 2.519 11 S HA 0.562 5.032 4.470 -0.000 0.000 0.309 11 S C -0.871 173.726 174.600 -0.006 0.000 1.100 11 S CA -0.682 57.519 58.200 0.000 0.000 1.059 11 S CB 0.397 63.600 63.200 0.004 0.000 1.008 11 S HN 0.576 nan 8.310 nan 0.000 0.478 12 K N 4.864 125.261 120.400 -0.004 0.000 2.559 12 K HA 0.489 4.809 4.320 -0.000 0.000 0.249 12 K C -1.208 175.391 176.600 -0.001 0.000 0.958 12 K CA -0.289 55.995 56.287 -0.005 0.000 0.901 12 K CB 1.360 33.857 32.500 -0.004 0.000 1.124 12 K HN 0.586 nan 8.250 nan 0.000 0.437 13 I N 3.043 123.611 120.570 -0.003 0.000 2.382 13 I HA 0.223 4.393 4.170 -0.000 0.000 0.286 13 I C 0.028 176.150 176.117 0.007 0.000 1.002 13 I CA -0.888 60.413 61.300 0.002 0.000 1.135 13 I CB 1.568 39.568 38.000 0.000 0.000 1.288 13 I HN 0.396 nan 8.210 nan 0.000 0.448 14 K N 6.702 127.111 120.400 0.014 0.000 2.382 14 K HA 0.346 4.666 4.320 -0.000 0.000 0.275 14 K C -0.787 175.832 176.600 0.031 0.000 1.009 14 K CA -0.255 56.045 56.287 0.022 0.000 0.970 14 K CB 0.730 33.244 32.500 0.023 0.000 0.934 14 K HN 0.544 nan 8.250 nan 0.000 0.479 15 L N 4.702 125.952 121.223 0.044 0.000 2.357 15 L HA 0.185 4.525 4.340 -0.000 0.000 0.273 15 L C 1.335 178.252 176.870 0.079 0.000 1.080 15 L CA -0.445 54.434 54.840 0.065 0.000 0.803 15 L CB 1.239 43.353 42.059 0.091 0.000 1.174 15 L HN 0.753 nan 8.230 nan 0.000 0.443 16 K N 0.865 121.320 120.400 0.091 0.000 2.211 16 K HA -0.018 4.302 4.320 -0.000 0.000 0.203 16 K C -0.171 176.484 176.600 0.092 0.000 1.050 16 K CA 1.100 57.438 56.287 0.084 0.000 0.945 16 K CB 0.148 32.701 32.500 0.089 0.000 0.732 16 K HN 0.582 nan 8.250 nan 0.000 0.451 17 E N 0.244 120.529 120.200 0.142 0.000 2.356 17 E HA 0.098 4.448 4.350 -0.000 0.000 0.275 17 E C -1.081 175.629 176.600 0.183 0.000 0.904 17 E CA -0.607 55.865 56.400 0.120 0.000 0.757 17 E CB 2.148 31.904 29.700 0.093 0.000 1.232 17 E HN 0.041 nan 8.360 nan 0.000 0.442 18 T N -0.854 113.754 114.554 0.089 0.000 2.897 18 T HA 0.498 4.848 4.350 -0.000 0.000 0.294 18 T C -0.417 174.340 174.700 0.095 0.000 1.004 18 T CA -0.343 61.831 62.100 0.124 0.000 1.106 18 T CB 0.272 69.175 68.868 0.058 0.000 0.949 18 T HN 0.186 nan 8.240 nan 0.000 0.520 19 F N 0.982 120.947 119.950 0.026 0.000 2.480 19 F HA 0.551 5.078 4.527 0.000 0.000 0.329 19 F C 0.660 176.474 175.800 0.024 0.000 1.091 19 F CA -0.632 57.380 58.000 0.019 0.000 0.972 19 F CB 2.556 41.568 39.000 0.020 0.000 1.150 19 F HN 0.645 nan 8.300 nan 0.000 0.467 20 T N 5.215 119.818 114.554 0.082 0.000 2.824 20 T HA 0.712 5.061 4.350 -0.000 0.000 0.282 20 T C -0.411 174.297 174.700 0.013 0.000 0.993 20 T CA -0.458 61.662 62.100 0.033 0.000 0.967 20 T CB 1.049 69.901 68.868 -0.027 0.000 0.960 20 T HN 0.505 nan 8.240 nan 0.000 0.441 21 I N -0.357 120.183 120.570 -0.049 0.000 3.294 21 I HA 0.842 5.012 4.170 -0.000 0.000 0.311 21 I C 1.372 177.382 176.117 -0.178 0.000 1.111 21 I CA -1.435 59.803 61.300 -0.103 0.000 0.976 21 I CB 1.092 39.021 38.000 -0.118 0.000 1.260 21 I HN 0.565 nan 8.210 nan 0.000 0.474 22 A N 1.255 123.960 122.820 -0.191 0.000 2.024 22 A HA 0.016 4.336 4.320 -0.000 0.000 0.220 22 A C 1.913 179.353 177.584 -0.239 0.000 1.164 22 A CA 1.473 53.397 52.037 -0.188 0.000 0.643 22 A CB -0.932 17.951 19.000 -0.195 0.000 0.806 22 A HN 0.729 nan 8.150 nan 0.000 0.451 23 L N -2.148 118.839 121.223 -0.393 0.000 2.446 23 L HA 0.330 4.670 4.340 -0.000 0.000 0.219 23 L C 1.285 177.754 176.870 -0.669 0.000 1.116 23 L CA 0.416 54.927 54.840 -0.549 0.000 0.844 23 L CB -0.351 41.246 42.059 -0.770 0.000 0.970 23 L HN 0.569 nan 8.230 nan 0.000 0.457 24 G N -0.505 107.934 108.800 -0.602 0.000 2.351 24 G HA2 0.234 4.194 3.960 -0.000 0.000 0.279 24 G HA3 0.234 4.194 3.960 -0.000 0.000 0.279 24 G C -1.132 173.730 174.900 -0.062 0.000 1.297 24 G CA -0.084 44.858 45.100 -0.264 0.000 0.886 24 G HN -0.048 nan 8.290 nan 0.000 0.493 25 T N -1.887 112.764 114.554 0.163 0.000 2.907 25 T HA 0.771 5.121 4.350 -0.000 0.000 0.292 25 T C -0.621 174.236 174.700 0.261 0.000 1.043 25 T CA -0.610 61.601 62.100 0.184 0.000 1.003 25 T CB 2.094 71.023 68.868 0.101 0.000 1.084 25 T HN 1.317 nan 8.240 nan 0.000 0.483 26 I N 1.758 122.464 120.570 0.227 0.000 2.608 26 I HA 0.494 4.664 4.170 -0.000 0.000 0.295 26 I C 0.287 176.484 176.117 0.133 0.000 1.049 26 I CA -0.895 60.503 61.300 0.163 0.000 1.063 26 I CB 1.966 40.049 38.000 0.138 0.000 1.248 26 I HN 1.079 nan 8.210 nan 0.000 0.424 27 E N 3.892 124.144 120.200 0.086 0.000 2.676 27 E HA 0.244 4.594 4.350 -0.000 0.000 0.225 27 E C -0.306 176.324 176.600 0.052 0.000 0.944 27 E CA -0.296 56.150 56.400 0.077 0.000 1.156 27 E CB 0.921 30.657 29.700 0.061 0.000 1.117 27 E HN 0.328 nan 8.360 nan 0.000 0.523 28 S N 0.280 115.999 115.700 0.032 0.000 2.543 28 S HA 0.626 5.096 4.470 -0.000 0.000 0.271 28 S C -1.619 172.975 174.600 -0.010 0.000 1.148 28 S CA -0.368 57.840 58.200 0.012 0.000 0.914 28 S CB 1.699 64.903 63.200 0.008 0.000 1.096 28 S HN 0.346 nan 8.310 nan 0.000 0.471 29 A N 3.632 126.443 122.820 -0.016 0.000 2.478 29 A HA 0.569 4.889 4.320 -0.000 0.000 0.327 29 A C -0.955 176.610 177.584 -0.032 0.000 1.431 29 A CA -0.446 51.570 52.037 -0.035 0.000 1.014 29 A CB -0.058 18.918 19.000 -0.040 0.000 1.143 29 A HN 0.696 nan 8.150 nan 0.000 0.532 30 D N 2.162 122.538 120.400 -0.040 0.000 2.303 30 D HA 0.530 5.170 4.640 -0.000 0.000 0.236 30 D C 0.060 176.336 176.300 -0.040 0.000 1.068 30 D CA 0.200 54.179 54.000 -0.034 0.000 0.830 30 D CB 1.695 42.475 40.800 -0.033 0.000 1.109 30 D HN 0.542 nan 8.370 nan 0.000 0.496 31 S N -0.029 115.653 115.700 -0.030 0.000 2.685 31 S HA 0.853 5.323 4.470 -0.000 0.000 0.282 31 S C -0.941 173.649 174.600 -0.017 0.000 1.159 31 S CA -1.079 57.104 58.200 -0.029 0.000 0.833 31 S CB 1.844 65.027 63.200 -0.028 0.000 1.151 31 S HN 0.374 nan 8.310 nan 0.000 0.485 32 A N 0.894 123.706 122.820 -0.014 0.000 2.288 32 A HA 0.751 5.071 4.320 -0.000 0.000 0.320 32 A C -0.548 177.044 177.584 0.013 0.000 1.217 32 A CA -0.783 51.251 52.037 -0.005 0.000 0.840 32 A CB -0.108 18.883 19.000 -0.014 0.000 1.179 32 A HN 0.772 nan 8.150 nan 0.000 0.504 33 I N 3.341 123.927 120.570 0.027 0.000 2.339 33 I HA 0.324 4.494 4.170 -0.000 0.000 0.290 33 I C -0.558 175.592 176.117 0.056 0.000 0.994 33 I CA -0.620 60.713 61.300 0.054 0.000 1.191 33 I CB 1.700 39.743 38.000 0.071 0.000 1.343 33 I HN 0.300 nan 8.210 nan 0.000 0.458 34 V N 6.394 126.342 119.914 0.057 0.000 2.547 34 V HA 0.374 4.494 4.120 -0.000 0.000 0.299 34 V C -0.190 175.899 176.094 -0.009 0.000 1.040 34 V CA -0.569 61.751 62.300 0.033 0.000 0.913 34 V CB 1.919 33.757 31.823 0.025 0.000 0.992 34 V HN 0.681 nan 8.190 nan 0.000 0.449 35 E N 4.352 124.529 120.200 -0.037 0.000 2.255 35 E HA 0.477 4.827 4.350 -0.000 0.000 0.256 35 E C -1.256 175.326 176.600 -0.031 0.000 0.887 35 E CA -0.365 55.929 56.400 -0.177 0.000 0.782 35 E CB 2.276 31.829 29.700 -0.246 0.000 1.214 35 E HN 0.525 nan 8.360 nan 0.000 0.417 36 I N 2.775 123.289 120.570 -0.093 0.000 2.297 36 I HA 0.141 4.311 4.170 -0.000 0.000 0.291 36 I C 0.273 176.362 176.117 -0.046 0.000 1.033 36 I CA -0.262 61.010 61.300 -0.047 0.000 1.253 36 I CB 0.908 38.864 38.000 -0.073 0.000 1.396 36 I HN 0.456 nan 8.210 nan 0.000 0.476 37 E N 5.831 126.046 120.200 0.025 0.000 2.227 37 E HA 0.300 4.650 4.350 -0.000 0.000 0.282 37 E C -0.410 176.189 176.600 -0.003 0.000 1.015 37 E CA -0.522 55.891 56.400 0.022 0.000 0.823 37 E CB 1.241 31.020 29.700 0.132 0.000 1.081 37 E HN 0.651 nan 8.360 nan 0.000 0.396 38 T N 1.271 115.815 114.554 -0.016 0.000 2.912 38 T HA 0.222 4.572 4.350 -0.000 0.000 0.280 38 T C 1.034 175.731 174.700 -0.005 0.000 0.989 38 T CA -0.838 61.253 62.100 -0.015 0.000 0.995 38 T CB 1.346 70.204 68.868 -0.016 0.000 1.077 38 T HN 0.397 nan 8.240 nan 0.000 0.531 39 E N 0.838 121.035 120.200 -0.005 0.000 2.118 39 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 39 E C 2.008 178.608 176.600 0.000 0.000 0.992 39 E CA 1.675 58.074 56.400 -0.002 0.000 0.804 39 E CB -0.164 29.534 29.700 -0.003 0.000 0.741 39 E HN 0.962 nan 8.360 nan 0.000 0.458 40 E N -0.600 119.601 120.200 0.002 0.000 2.418 40 E HA 0.016 4.366 4.350 -0.000 0.000 0.197 40 E C 1.228 177.829 176.600 0.002 0.000 1.026 40 E CA 0.750 57.152 56.400 0.004 0.000 0.862 40 E CB 0.111 29.816 29.700 0.008 0.000 0.799 40 E HN 0.218 nan 8.360 nan 0.000 0.518 41 G N 1.071 109.871 108.800 -0.001 0.000 2.218 41 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 41 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 41 G C 0.182 175.077 174.900 -0.010 0.000 0.994 41 G CA -0.034 45.064 45.100 -0.004 0.000 0.637 41 G HN 0.166 nan 8.290 nan 0.000 0.505 42 L N 1.380 122.598 121.223 -0.009 0.000 2.416 42 L HA 0.523 4.863 4.340 -0.000 0.000 0.272 42 L C 0.330 177.176 176.870 -0.040 0.000 1.161 42 L CA -0.357 54.475 54.840 -0.014 0.000 0.845 42 L CB 1.369 43.424 42.059 -0.007 0.000 1.119 42 L HN -0.025 nan 8.230 nan 0.000 0.464 43 V N 2.196 122.075 119.914 -0.059 0.000 2.444 43 V HA 0.540 4.660 4.120 -0.000 0.000 0.294 43 V C 0.467 176.455 176.094 -0.178 0.000 1.022 43 V CA -0.545 61.670 62.300 -0.142 0.000 0.850 43 V CB 1.656 33.353 31.823 -0.210 0.000 0.992 43 V HN 0.881 nan 8.190 nan 0.000 0.426 44 G N 3.025 111.711 108.800 -0.191 0.000 2.371 44 G HA2 0.609 4.569 3.960 -0.000 0.000 0.326 44 G HA3 0.609 4.569 3.960 -0.000 0.000 0.326 44 G C -1.478 173.284 174.900 -0.231 0.000 1.127 44 G CA -0.338 44.685 45.100 -0.128 0.000 0.885 44 G HN 0.500 nan 8.290 nan 0.000 0.477 45 Y N 0.170 120.461 120.300 -0.015 0.000 2.342 45 Y HA 0.618 5.168 4.550 -0.000 0.000 0.334 45 Y C 0.889 176.787 175.900 -0.003 0.000 1.067 45 Y CA 0.008 58.104 58.100 -0.006 0.000 1.128 45 Y CB 2.517 40.972 38.460 -0.008 0.000 1.200 45 Y HN 0.755 nan 8.280 nan 0.000 0.464 46 G N 1.485 110.367 108.800 0.137 0.000 2.672 46 G HA2 0.618 4.578 3.960 -0.000 0.000 0.292 46 G HA3 0.618 4.578 3.960 -0.000 0.000 0.292 46 G C -1.983 172.964 174.900 0.078 0.000 1.375 46 G CA -0.779 44.373 45.100 0.087 0.000 0.890 46 G HN 0.521 nan 8.290 nan 0.000 0.476 47 E N -0.856 119.375 120.200 0.052 0.000 2.352 47 E HA 0.578 4.928 4.350 -0.000 0.000 0.280 47 E C -0.913 175.696 176.600 0.015 0.000 0.930 47 E CA -1.013 55.406 56.400 0.033 0.000 0.765 47 E CB 2.051 31.766 29.700 0.025 0.000 1.219 47 E HN 0.829 nan 8.360 nan 0.000 0.434 48 G N 1.410 110.211 108.800 0.003 0.000 2.728 48 G HA2 0.555 4.515 3.960 -0.000 0.000 0.296 48 G HA3 0.555 4.515 3.960 -0.000 0.000 0.296 48 G C -0.509 174.372 174.900 -0.031 0.000 1.401 48 G CA -0.524 44.568 45.100 -0.013 0.000 1.007 48 G HN 0.416 nan 8.290 nan 0.000 0.527 49 G N 3.877 112.651 108.800 -0.044 0.000 2.873 49 G HA2 0.616 4.576 3.960 -0.000 0.000 0.340 49 G HA3 0.616 4.576 3.960 -0.000 0.000 0.340 49 G C -2.444 172.410 174.900 -0.078 0.000 1.171 49 G CA -1.326 43.738 45.100 -0.060 0.000 1.113 49 G HN 0.428 nan 8.290 nan 0.000 0.471 50 P HA 0.242 nan 4.420 nan 0.000 0.282 50 P C 0.296 177.517 177.300 -0.131 0.000 1.262 50 P CA -0.022 63.026 63.100 -0.088 0.000 0.773 50 P CB 1.970 33.628 31.700 -0.070 0.000 0.879 51 G N 3.628 112.336 108.800 -0.154 0.000 2.428 51 G HA2 0.199 4.159 3.960 -0.000 0.000 0.320 51 G HA3 0.199 4.159 3.960 -0.000 0.000 0.320 51 G C 0.883 175.622 174.900 -0.269 0.000 1.098 51 G CA -0.634 44.285 45.100 -0.301 0.000 0.984 51 G HN 0.576 nan 8.290 nan 0.000 0.444 52 I N 2.665 123.053 120.570 -0.304 0.000 2.264 52 I HA -0.160 4.010 4.170 -0.000 0.000 0.248 52 I C 2.045 178.147 176.117 -0.024 0.000 1.111 52 I CA 1.275 62.495 61.300 -0.133 0.000 1.382 52 I CB 0.104 38.045 38.000 -0.098 0.000 1.060 52 I HN 0.676 nan 8.210 nan 0.000 0.418 53 F N -1.234 118.745 119.950 0.048 0.000 2.773 53 F HA 0.206 4.733 4.527 0.000 0.000 0.304 53 F C 1.469 177.310 175.800 0.069 0.000 1.129 53 F CA -0.262 57.768 58.000 0.050 0.000 1.378 53 F CB -0.268 38.751 39.000 0.032 0.000 1.095 53 F HN -0.095 nan 8.300 nan 0.000 0.565 54 I N 0.801 121.556 120.570 0.309 0.000 3.366 54 I HA -0.019 4.151 4.170 -0.000 0.000 0.267 54 I C 2.170 178.496 176.117 0.349 0.000 1.149 54 I CA 1.493 62.979 61.300 0.309 0.000 1.436 54 I CB -0.587 37.524 38.000 0.185 0.000 1.379 54 I HN 0.294 nan 8.210 nan 0.000 0.460 55 T N -2.887 111.839 114.554 0.288 0.000 2.975 55 T HA 0.354 4.704 4.350 -0.000 0.000 0.257 55 T C 1.501 176.407 174.700 0.343 0.000 1.003 55 T CA 0.724 63.087 62.100 0.439 0.000 0.932 55 T CB 0.985 70.104 68.868 0.418 0.000 1.087 55 T HN 0.431 nan 8.240 nan 0.000 0.512 56 G N 1.408 110.326 108.800 0.196 0.000 2.199 56 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.254 56 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.254 56 G C -0.160 174.805 174.900 0.108 0.000 0.982 56 G CA 0.092 45.279 45.100 0.145 0.000 0.632 56 G HN 0.666 nan 8.290 nan 0.000 0.529 57 E N 1.376 121.636 120.200 0.100 0.000 2.383 57 E HA 0.486 4.836 4.350 -0.000 0.000 0.264 57 E C 0.830 177.422 176.600 -0.013 0.000 1.050 57 E CA 0.690 57.110 56.400 0.034 0.000 0.896 57 E CB 0.697 30.391 29.700 -0.009 0.000 0.982 57 E HN 0.475 nan 8.360 nan 0.000 0.424 58 T N -0.537 114.004 114.554 -0.021 0.000 2.930 58 T HA 0.242 4.592 4.350 -0.000 0.000 0.290 58 T C 0.566 175.241 174.700 -0.042 0.000 1.052 58 T CA -0.925 61.154 62.100 -0.034 0.000 1.017 58 T CB 1.078 69.933 68.868 -0.021 0.000 1.137 58 T HN 0.301 nan 8.240 nan 0.000 0.511 59 L N 1.501 122.698 121.223 -0.043 0.000 2.046 59 L HA 0.189 4.528 4.340 -0.000 0.000 0.208 59 L C 2.727 179.572 176.870 -0.041 0.000 1.077 59 L CA 2.438 57.253 54.840 -0.042 0.000 0.747 59 L CB -1.426 40.611 42.059 -0.037 0.000 0.896 59 L HN 0.947 nan 8.230 nan 0.000 0.432 60 A N -0.618 122.181 122.820 -0.035 0.000 1.877 60 A HA -0.071 4.249 4.320 -0.000 0.000 0.216 60 A C 2.339 179.895 177.584 -0.047 0.000 1.186 60 A CA 1.575 53.591 52.037 -0.036 0.000 0.620 60 A CB -1.564 17.421 19.000 -0.026 0.000 0.822 60 A HN 0.508 nan 8.150 nan 0.000 0.443 61 G N -1.326 107.447 108.800 -0.045 0.000 2.408 61 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 61 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 61 G C 1.551 176.398 174.900 -0.089 0.000 1.150 61 G CA 1.617 46.684 45.100 -0.056 0.000 0.776 61 G HN 0.436 nan 8.290 nan 0.000 0.542 62 T N 1.371 115.876 114.554 -0.081 0.000 2.777 62 T HA -0.006 4.344 4.350 -0.000 0.000 0.266 62 T C 2.429 177.062 174.700 -0.113 0.000 1.040 62 T CA 0.782 62.823 62.100 -0.099 0.000 1.141 62 T CB -0.182 68.644 68.868 -0.071 0.000 0.868 62 T HN 0.141 nan 8.240 nan 0.000 0.444 63 L N 0.701 121.874 121.223 -0.084 0.000 2.046 63 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 63 L C 2.800 179.607 176.870 -0.106 0.000 1.077 63 L CA 1.551 56.345 54.840 -0.078 0.000 0.747 63 L CB -0.503 41.525 42.059 -0.052 0.000 0.896 63 L HN 0.359 nan 8.230 nan 0.000 0.432 64 E N -0.228 119.907 120.200 -0.109 0.000 2.077 64 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 64 E C 1.958 178.438 176.600 -0.201 0.000 0.989 64 E CA 1.883 58.210 56.400 -0.122 0.000 0.800 64 E CB 0.072 29.714 29.700 -0.096 0.000 0.746 64 E HN 0.363 nan 8.360 nan 0.000 0.452 65 T N 1.108 115.495 114.554 -0.277 0.000 2.777 65 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 65 T C 1.882 176.134 174.700 -0.746 0.000 1.040 65 T CA 1.326 63.106 62.100 -0.533 0.000 1.141 65 T CB -0.194 68.340 68.868 -0.558 0.000 0.868 65 T HN 0.194 nan 8.240 nan 0.000 0.444 66 I N 0.812 121.122 120.570 -0.433 0.000 2.286 66 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 66 I C 2.675 178.712 176.117 -0.133 0.000 1.115 66 I CA 1.297 62.460 61.300 -0.228 0.000 1.392 66 I CB -0.305 37.652 38.000 -0.072 0.000 1.065 66 I HN 0.304 nan 8.210 nan 0.000 0.418 67 E N 0.903 121.016 120.200 -0.144 0.000 2.106 67 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 67 E C 2.320 178.875 176.600 -0.075 0.000 0.984 67 E CA 0.915 57.261 56.400 -0.089 0.000 0.806 67 E CB 0.066 29.717 29.700 -0.082 0.000 0.750 67 E HN 0.440 nan 8.360 nan 0.000 0.458 68 L N -0.181 120.962 121.223 -0.132 0.000 2.056 68 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 68 L C 2.189 179.110 176.870 0.084 0.000 1.078 68 L CA 0.660 55.461 54.840 -0.065 0.000 0.749 68 L CB -0.389 41.594 42.059 -0.127 0.000 0.901 68 L HN 0.181 nan 8.230 nan 0.000 0.433 69 F N 0.575 120.497 119.950 -0.047 0.000 2.102 69 F HA -0.095 4.432 4.527 0.000 0.000 0.298 69 F C 2.564 178.323 175.800 -0.068 0.000 1.105 69 F CA 0.956 58.921 58.000 -0.058 0.000 1.239 69 F CB -1.762 37.197 39.000 -0.067 0.000 0.991 69 F HN 0.025 nan 8.300 nan 0.000 0.474 70 G N -0.292 108.589 108.800 0.135 0.000 2.491 70 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 70 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 70 G C 1.561 176.456 174.900 -0.008 0.000 1.180 70 G CA 0.741 45.855 45.100 0.024 0.000 0.774 70 G HN 0.258 nan 8.290 nan 0.000 0.562 71 Q N 0.356 120.153 119.800 -0.005 0.000 2.224 71 Q HA 0.079 4.419 4.340 -0.000 0.000 0.203 71 Q C 2.755 178.752 176.000 -0.005 0.000 0.970 71 Q CA 1.211 57.003 55.803 -0.017 0.000 0.865 71 Q CB -0.527 28.201 28.738 -0.017 0.000 0.922 71 Q HN 0.504 nan 8.270 nan 0.000 0.445 72 A N 0.959 123.792 122.820 0.021 0.000 2.119 72 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 72 A C 1.839 179.414 177.584 -0.015 0.000 1.152 72 A CA 0.543 52.588 52.037 0.014 0.000 0.708 72 A CB -0.368 18.660 19.000 0.048 0.000 0.805 72 A HN 0.451 nan 8.150 nan 0.000 0.460 73 I N -3.522 117.032 120.570 -0.027 0.000 3.956 73 I HA 0.370 4.540 4.170 -0.000 0.000 0.333 73 I C -0.086 175.999 176.117 -0.052 0.000 1.302 73 I CA -0.454 60.813 61.300 -0.055 0.000 1.122 73 I CB -0.061 37.888 38.000 -0.085 0.000 1.013 73 I HN -0.051 nan 8.210 nan 0.000 0.405 74 I N 3.474 124.017 120.570 -0.044 0.000 2.683 74 I HA 0.126 4.296 4.170 -0.000 0.000 0.286 74 I C 1.501 177.596 176.117 -0.037 0.000 1.175 74 I CA 1.547 62.820 61.300 -0.045 0.000 1.429 74 I CB 0.467 38.441 38.000 -0.044 0.000 1.371 74 I HN 0.574 nan 8.210 nan 0.000 0.569 75 G N 5.151 113.929 108.800 -0.035 0.000 2.213 75 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.236 75 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.236 75 G C 0.151 175.034 174.900 -0.028 0.000 0.991 75 G CA -0.481 44.602 45.100 -0.028 0.000 0.629 75 G HN 0.444 nan 8.290 nan 0.000 0.517 76 L N 0.637 121.837 121.223 -0.038 0.000 2.421 76 L HA 0.462 4.802 4.340 -0.000 0.000 0.263 76 L C 0.531 177.380 176.870 -0.036 0.000 1.122 76 L CA -1.012 53.804 54.840 -0.040 0.000 0.804 76 L CB 0.727 42.751 42.059 -0.059 0.000 1.150 76 L HN 0.149 nan 8.230 nan 0.000 0.457 77 N N 1.507 120.194 118.700 -0.021 0.000 2.444 77 N HA 0.179 4.919 4.740 -0.000 0.000 0.271 77 N C -1.990 173.504 175.510 -0.027 0.000 1.069 77 N CA -1.777 51.279 53.050 0.010 0.000 0.965 77 N CB 1.859 40.378 38.487 0.053 0.000 1.092 77 N HN 0.230 nan 8.380 nan 0.000 0.476 78 P HA -0.066 nan 4.420 nan 0.000 0.218 78 P C 0.768 177.887 177.300 -0.302 0.000 1.146 78 P CA 1.126 64.096 63.100 -0.216 0.000 0.813 78 P CB 0.041 31.574 31.700 -0.278 0.000 0.778 79 F N -1.332 118.524 119.950 -0.158 0.000 2.407 79 F HA -0.030 4.497 4.527 0.000 0.000 0.299 79 F C 1.406 177.109 175.800 -0.161 0.000 1.097 79 F CA 0.750 58.650 58.000 -0.166 0.000 1.422 79 F CB -0.699 38.236 39.000 -0.108 0.000 1.067 79 F HN -0.127 nan 8.300 nan 0.000 0.539 80 N N 1.350 120.060 118.700 0.018 0.000 3.303 80 N HA -0.024 4.716 4.740 -0.000 0.000 0.304 80 N C 1.383 176.825 175.510 -0.114 0.000 1.302 80 N CA 0.092 53.124 53.050 -0.030 0.000 1.213 80 N CB -0.456 38.017 38.487 -0.023 0.000 1.481 80 N HN 0.144 nan 8.380 nan 0.000 0.546 81 I N 0.903 121.363 120.570 -0.184 0.000 2.335 81 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 81 I C 1.693 177.661 176.117 -0.248 0.000 1.129 81 I CA 1.598 62.728 61.300 -0.283 0.000 1.402 81 I CB 0.109 37.853 38.000 -0.426 0.000 1.069 81 I HN 0.389 nan 8.210 nan 0.000 0.424 82 E N -0.012 120.060 120.200 -0.213 0.000 2.072 82 E HA -0.269 4.081 4.350 -0.000 0.000 0.191 82 E C 2.141 178.731 176.600 -0.017 0.000 0.985 82 E CA 1.141 57.493 56.400 -0.080 0.000 0.801 82 E CB -0.187 29.524 29.700 0.017 0.000 0.750 82 E HN 0.484 nan 8.360 nan 0.000 0.452 83 K N 0.905 121.277 120.400 -0.045 0.000 2.097 83 K HA -0.137 4.183 4.320 -0.000 0.000 0.205 83 K C 2.109 178.661 176.600 -0.081 0.000 1.050 83 K CA 0.811 57.071 56.287 -0.044 0.000 0.938 83 K CB 0.073 32.547 32.500 -0.043 0.000 0.718 83 K HN -0.005 nan 8.250 nan 0.000 0.442 84 I N 1.496 121.986 120.570 -0.132 0.000 2.163 84 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 84 I C 2.326 178.270 176.117 -0.288 0.000 1.085 84 I CA 1.647 62.812 61.300 -0.224 0.000 1.347 84 I CB -1.393 36.431 38.000 -0.293 0.000 1.044 84 I HN 0.363 nan 8.210 nan 0.000 0.408 85 H N 1.032 120.005 119.070 -0.162 0.000 2.428 85 H HA -0.116 4.440 4.556 -0.000 0.000 0.296 85 H C 2.122 177.385 175.328 -0.109 0.000 1.062 85 H CA 1.550 57.518 56.048 -0.135 0.000 1.350 85 H CB 0.144 29.884 29.762 -0.037 0.000 1.403 85 H HN 0.567 nan 8.280 nan 0.000 0.533 86 E N 0.732 120.949 120.200 0.029 0.000 2.106 86 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 86 E C 2.187 178.768 176.600 -0.033 0.000 0.984 86 E CA 1.040 57.447 56.400 0.012 0.000 0.806 86 E CB -0.410 29.299 29.700 0.016 0.000 0.750 86 E HN 0.070 nan 8.360 nan 0.000 0.458 87 V N 1.633 121.499 119.914 -0.080 0.000 2.295 87 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 87 V C 2.537 178.546 176.094 -0.143 0.000 1.049 87 V CA 2.109 64.353 62.300 -0.093 0.000 1.024 87 V CB -0.462 31.294 31.823 -0.110 0.000 0.648 87 V HN 0.330 nan 8.190 nan 0.000 0.447 88 M N -0.483 118.921 119.600 -0.325 0.000 2.175 88 M HA -0.152 4.328 4.480 -0.000 0.000 0.264 88 M C 1.896 178.079 176.300 -0.195 0.000 1.063 88 M CA 1.639 56.559 55.300 -0.633 0.000 1.119 88 M CB -0.624 31.273 32.600 -1.172 0.000 1.377 88 M HN 0.302 nan 8.290 nan 0.000 0.415 89 D N 0.371 120.725 120.400 -0.077 0.000 2.219 89 D HA -0.115 4.525 4.640 -0.000 0.000 0.205 89 D C 1.868 178.207 176.300 0.065 0.000 0.970 89 D CA 1.146 55.170 54.000 0.039 0.000 0.851 89 D CB -0.140 40.694 40.800 0.057 0.000 0.943 89 D HN 0.151 nan 8.370 nan 0.000 0.488 90 K N 0.429 120.854 120.400 0.041 0.000 2.103 90 K HA 0.052 4.372 4.320 -0.000 0.000 0.204 90 K C 1.987 178.637 176.600 0.082 0.000 1.052 90 K CA 0.515 56.833 56.287 0.052 0.000 0.945 90 K CB -0.095 32.424 32.500 0.031 0.000 0.722 90 K HN 0.093 nan 8.250 nan 0.000 0.443 91 I N -0.816 119.828 120.570 0.122 0.000 2.233 91 I HA -0.110 4.060 4.170 -0.000 0.000 0.243 91 I C 0.736 176.968 176.117 0.192 0.000 1.093 91 I CA 0.511 61.920 61.300 0.182 0.000 1.380 91 I CB 0.092 38.287 38.000 0.325 0.000 1.067 91 I HN 0.007 nan 8.210 nan 0.000 0.413 92 S N -0.475 115.380 115.700 0.257 0.000 2.532 92 S HA 0.600 5.070 4.470 -0.000 0.000 0.299 92 S C 0.501 175.216 174.600 0.192 0.000 1.105 92 S CA -0.409 57.920 58.200 0.216 0.000 1.018 92 S CB 1.814 65.172 63.200 0.264 0.000 1.021 92 S HN 0.207 nan 8.310 nan 0.000 0.483 93 A N 3.645 126.567 122.820 0.169 0.000 2.119 93 A HA 0.356 4.676 4.320 -0.000 0.000 0.217 93 A C 0.250 178.009 177.584 0.291 0.000 1.153 93 A CA 0.645 52.790 52.037 0.180 0.000 0.692 93 A CB -0.242 18.840 19.000 0.136 0.000 0.799 93 A HN 1.019 nan 8.150 nan 0.000 0.458 94 F N -2.006 118.002 119.950 0.097 0.000 2.911 94 F HA 0.489 5.016 4.527 0.000 0.000 0.349 94 F C -0.689 175.181 175.800 0.117 0.000 1.222 94 F CA -0.265 57.797 58.000 0.103 0.000 1.164 94 F CB 0.771 39.812 39.000 0.068 0.000 1.454 94 F HN 0.174 nan 8.300 nan 0.000 0.616 95 A N 7.416 129.986 122.820 -0.418 0.000 3.134 95 A HA 0.376 4.696 4.320 -0.000 0.000 0.237 95 A C -2.522 174.928 177.584 -0.223 0.000 1.233 95 A CA -0.487 51.354 52.037 -0.327 0.000 1.112 95 A CB -0.158 18.811 19.000 -0.052 0.000 1.365 95 A HN 0.382 nan 8.150 nan 0.000 0.796 96 P HA -0.208 nan 4.420 nan 0.000 0.216 96 P C 1.570 178.831 177.300 -0.065 0.000 1.150 96 P CA 2.015 65.025 63.100 -0.150 0.000 0.837 96 P CB 0.233 31.845 31.700 -0.147 0.000 0.786 97 A N 0.519 123.282 122.820 -0.096 0.000 1.898 97 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 97 A C 2.524 180.109 177.584 0.002 0.000 1.181 97 A CA 2.035 54.042 52.037 -0.049 0.000 0.620 97 A CB -1.461 17.498 19.000 -0.067 0.000 0.819 97 A HN 0.245 nan 8.150 nan 0.000 0.442 98 A N -0.187 122.646 122.820 0.021 0.000 1.929 98 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 98 A C 2.092 179.842 177.584 0.275 0.000 1.176 98 A CA 1.617 53.712 52.037 0.097 0.000 0.628 98 A CB -0.344 18.642 19.000 -0.023 0.000 0.816 98 A HN 0.526 nan 8.150 nan 0.000 0.444 99 K N -0.176 120.390 120.400 0.277 0.000 2.097 99 K HA 0.014 4.334 4.320 -0.000 0.000 0.205 99 K C 2.260 178.912 176.600 0.086 0.000 1.050 99 K CA 0.994 57.368 56.287 0.146 0.000 0.938 99 K CB -0.279 32.286 32.500 0.108 0.000 0.718 99 K HN 0.415 nan 8.250 nan 0.000 0.442 100 A N 1.658 124.531 122.820 0.089 0.000 1.933 100 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 100 A C 2.382 180.003 177.584 0.062 0.000 1.175 100 A CA 1.726 53.808 52.037 0.076 0.000 0.628 100 A CB -0.628 18.394 19.000 0.036 0.000 0.814 100 A HN 0.317 nan 8.150 nan 0.000 0.444 101 A N 0.075 122.930 122.820 0.057 0.000 1.908 101 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 101 A C 2.031 179.641 177.584 0.044 0.000 1.181 101 A CA 1.716 53.783 52.037 0.050 0.000 0.627 101 A CB -0.458 18.572 19.000 0.049 0.000 0.818 101 A HN 0.416 nan 8.150 nan 0.000 0.445 102 I N 0.224 120.817 120.570 0.038 0.000 2.233 102 I HA -0.168 4.002 4.170 -0.000 0.000 0.243 102 I C 2.322 178.410 176.117 -0.048 0.000 1.093 102 I CA 1.694 62.983 61.300 -0.019 0.000 1.380 102 I CB -1.362 36.598 38.000 -0.067 0.000 1.067 102 I HN 0.468 nan 8.210 nan 0.000 0.413 103 D N 1.491 121.873 120.400 -0.031 0.000 2.116 103 D HA -0.214 4.426 4.640 -0.000 0.000 0.193 103 D C 2.283 178.696 176.300 0.187 0.000 0.998 103 D CA 1.524 55.569 54.000 0.075 0.000 0.836 103 D CB 0.033 40.971 40.800 0.230 0.000 0.951 103 D HN 0.320 nan 8.370 nan 0.000 0.449 104 I N 1.085 121.736 120.570 0.134 0.000 2.226 104 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 104 I C 2.749 178.926 176.117 0.099 0.000 1.100 104 I CA 1.127 62.503 61.300 0.126 0.000 1.374 104 I CB -0.301 37.742 38.000 0.071 0.000 1.057 104 I HN 0.009 nan 8.210 nan 0.000 0.413 105 A N -0.297 122.551 122.820 0.047 0.000 1.972 105 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 105 A C 2.414 179.969 177.584 -0.047 0.000 1.169 105 A CA 1.660 53.700 52.037 0.004 0.000 0.635 105 A CB -1.111 17.874 19.000 -0.025 0.000 0.810 105 A HN 0.545 nan 8.150 nan 0.000 0.446 106 C N -2.385 116.869 119.300 -0.076 0.000 2.440 106 C HA -0.045 4.415 4.460 -0.000 0.000 0.278 106 C C 2.439 177.259 174.990 -0.283 0.000 1.295 106 C CA 0.800 59.694 59.018 -0.207 0.000 1.738 106 C CB -1.577 25.999 27.740 -0.272 0.000 1.987 106 C HN 0.717 nan 8.230 nan 0.000 0.492 107 Y N 0.813 121.027 120.300 -0.143 0.000 2.314 107 Y HA -0.142 4.408 4.550 -0.000 0.000 0.293 107 Y C 2.284 178.094 175.900 -0.151 0.000 1.129 107 Y CA 1.852 59.863 58.100 -0.149 0.000 1.201 107 Y CB -0.339 38.075 38.460 -0.076 0.000 0.999 107 Y HN 0.309 nan 8.280 nan 0.000 0.541 108 D N 0.201 120.618 120.400 0.029 0.000 2.117 108 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 108 D C 2.011 178.276 176.300 -0.057 0.000 0.987 108 D CA 1.310 55.305 54.000 -0.007 0.000 0.829 108 D CB -0.247 40.576 40.800 0.038 0.000 0.961 108 D HN 0.289 nan 8.370 nan 0.000 0.460 109 L N -0.377 120.779 121.223 -0.111 0.000 2.083 109 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 109 L C 2.737 179.467 176.870 -0.235 0.000 1.083 109 L CA 0.773 55.524 54.840 -0.148 0.000 0.752 109 L CB -0.306 41.650 42.059 -0.173 0.000 0.899 109 L HN 0.135 nan 8.230 nan 0.000 0.433 110 M N -0.816 118.525 119.600 -0.432 0.000 2.117 110 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 110 M C 2.320 178.528 176.300 -0.153 0.000 1.065 110 M CA 1.951 56.839 55.300 -0.687 0.000 1.114 110 M CB -0.897 31.144 32.600 -0.932 0.000 1.361 110 M HN 0.353 nan 8.290 nan 0.000 0.408 111 G N -0.287 108.462 108.800 -0.084 0.000 2.418 111 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 111 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 111 G C 1.409 176.313 174.900 0.007 0.000 1.158 111 G CA 0.517 45.611 45.100 -0.011 0.000 0.771 111 G HN 0.493 nan 8.290 nan 0.000 0.545 112 Q N -0.290 119.507 119.800 -0.006 0.000 2.119 112 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 112 Q C 2.484 178.509 176.000 0.041 0.000 0.972 112 Q CA 1.367 57.179 55.803 0.015 0.000 0.847 112 Q CB -0.097 28.646 28.738 0.009 0.000 0.903 112 Q HN 0.340 nan 8.270 nan 0.000 0.433 113 K N 1.050 121.491 120.400 0.068 0.000 2.097 113 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 113 K C 1.677 178.355 176.600 0.131 0.000 1.050 113 K CA 1.348 57.711 56.287 0.127 0.000 0.938 113 K CB -0.297 32.359 32.500 0.260 0.000 0.718 113 K HN 0.155 nan 8.250 nan 0.000 0.442 114 A N 0.207 123.124 122.820 0.162 0.000 2.167 114 A HA -0.022 4.298 4.320 -0.000 0.000 0.214 114 A C 0.095 177.715 177.584 0.059 0.000 1.151 114 A CA 0.847 52.957 52.037 0.121 0.000 0.735 114 A CB -0.345 18.751 19.000 0.159 0.000 0.802 114 A HN 0.507 nan 8.150 nan 0.000 0.467 115 Q N -1.765 118.063 119.800 0.047 0.000 2.468 115 Q HA -0.167 4.173 4.340 -0.000 0.000 0.289 115 Q C -1.113 174.894 176.000 0.010 0.000 1.299 115 Q CA 0.693 56.512 55.803 0.026 0.000 0.838 115 Q CB -1.807 26.945 28.738 0.023 0.000 1.195 115 Q HN 0.651 nan 8.270 nan 0.000 0.456 116 L N -0.845 120.379 121.223 0.001 0.000 2.409 116 L HA 0.603 4.943 4.340 -0.000 0.000 0.262 116 L C -2.368 174.460 176.870 -0.070 0.000 0.992 116 L CA -2.414 52.402 54.840 -0.040 0.000 0.817 116 L CB 2.069 44.104 42.059 -0.040 0.000 1.350 116 L HN -0.196 nan 8.230 nan 0.000 0.411 117 P HA 0.032 nan 4.420 nan 0.000 0.268 117 P C 0.450 177.656 177.300 -0.156 0.000 1.205 117 P CA -0.375 62.658 63.100 -0.112 0.000 0.771 117 P CB 0.763 32.337 31.700 -0.211 0.000 0.858 118 L N 4.776 125.959 121.223 -0.065 0.000 2.043 118 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 118 L C 2.095 179.048 176.870 0.138 0.000 1.075 118 L CA 2.017 56.840 54.840 -0.028 0.000 0.752 118 L CB -1.687 40.215 42.059 -0.262 0.000 0.891 118 L HN 0.486 nan 8.230 nan 0.000 0.432 119 Y N -1.753 118.810 120.300 0.440 0.000 2.315 119 Y HA -0.191 4.359 4.550 -0.000 0.000 0.288 119 Y C 2.173 178.157 175.900 0.140 0.000 1.154 119 Y CA 1.306 59.542 58.100 0.228 0.000 1.229 119 Y CB -1.071 37.453 38.460 0.107 0.000 0.980 119 Y HN 0.267 nan 8.280 nan 0.000 0.540 120 Q N 0.818 120.368 119.800 -0.417 0.000 2.083 120 Q HA -0.086 4.254 4.340 -0.000 0.000 0.198 120 Q C 2.487 178.476 176.000 -0.019 0.000 0.969 120 Q CA 1.434 57.115 55.803 -0.205 0.000 0.838 120 Q CB -0.540 28.009 28.738 -0.315 0.000 0.900 120 Q HN 0.685 nan 8.270 nan 0.000 0.436 121 L N 0.464 121.682 121.223 -0.009 0.000 2.083 121 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 121 L C 1.856 178.793 176.870 0.112 0.000 1.083 121 L CA 0.892 55.776 54.840 0.072 0.000 0.752 121 L CB -0.049 42.067 42.059 0.096 0.000 0.899 121 L HN 0.160 nan 8.230 nan 0.000 0.433 122 L N -1.174 120.115 121.223 0.109 0.000 2.599 122 L HA 0.169 4.509 4.340 -0.000 0.000 0.230 122 L C 1.482 178.414 176.870 0.103 0.000 1.141 122 L CA 0.668 55.568 54.840 0.101 0.000 0.877 122 L CB -0.059 42.039 42.059 0.066 0.000 1.009 122 L HN 0.524 nan 8.230 nan 0.000 0.447 123 G N -1.923 106.950 108.800 0.123 0.000 3.511 123 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.218 123 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.218 123 G C 0.919 175.923 174.900 0.173 0.000 1.001 123 G CA -0.081 45.097 45.100 0.129 0.000 0.877 123 G HN 0.220 nan 8.290 nan 0.000 0.450 124 G N -0.236 108.695 108.800 0.220 0.000 2.203 124 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.263 124 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.263 124 G C 0.843 175.894 174.900 0.252 0.000 1.012 124 G CA 1.311 46.569 45.100 0.264 0.000 0.749 124 G HN 1.243 nan 8.290 nan 0.000 0.512 125 Y N 0.398 120.760 120.300 0.103 0.000 2.242 125 Y HA 0.236 4.786 4.550 0.000 0.000 0.291 125 Y C 1.371 177.289 175.900 0.031 0.000 1.137 125 Y CA 1.873 60.006 58.100 0.056 0.000 1.181 125 Y CB 0.439 38.919 38.460 0.034 0.000 0.989 125 Y HN 0.361 nan 8.280 nan 0.000 0.527 126 D N -2.263 118.186 120.400 0.082 0.000 2.677 126 D HA 0.117 4.757 4.640 -0.000 0.000 0.298 126 D C -0.811 175.327 176.300 -0.269 0.000 1.250 126 D CA -0.264 53.683 54.000 -0.088 0.000 0.888 126 D CB 0.858 41.628 40.800 -0.049 0.000 1.397 126 D HN 0.168 nan 8.370 nan 0.000 0.461 127 N N 0.075 118.510 118.700 -0.442 0.000 2.241 127 N HA 0.050 4.790 4.740 -0.000 0.000 0.238 127 N C -0.577 174.596 175.510 -0.561 0.000 1.244 127 N CA -0.141 52.348 53.050 -0.935 0.000 0.880 127 N CB 0.799 38.790 38.487 -0.828 0.000 1.179 127 N HN 0.560 nan 8.380 nan 0.000 0.513 128 Q N -1.569 118.035 119.800 -0.327 0.000 2.575 128 Q HA 0.640 4.980 4.340 -0.000 0.000 0.290 128 Q C -2.058 173.867 176.000 -0.124 0.000 0.963 128 Q CA -1.031 54.647 55.803 -0.208 0.000 0.783 128 Q CB 1.992 30.637 28.738 -0.156 0.000 1.467 128 Q HN -0.113 nan 8.270 nan 0.000 0.402 129 V N 1.267 121.132 119.914 -0.082 0.000 3.049 129 V HA 0.618 4.738 4.120 -0.000 0.000 0.309 129 V C -1.655 174.433 176.094 -0.010 0.000 1.148 129 V CA -0.865 61.414 62.300 -0.035 0.000 0.990 129 V CB 2.262 34.070 31.823 -0.025 0.000 1.039 129 V HN 0.809 nan 8.190 nan 0.000 0.430 130 I N 4.372 124.947 120.570 0.010 0.000 2.321 130 I HA 0.416 4.586 4.170 -0.000 0.000 0.291 130 I C 0.246 176.408 176.117 0.075 0.000 0.998 130 I CA -0.115 61.203 61.300 0.029 0.000 1.227 130 I CB 1.790 39.801 38.000 0.018 0.000 1.368 130 I HN 0.663 nan 8.210 nan 0.000 0.466 131 T N 3.809 118.447 114.554 0.139 0.000 2.929 131 T HA 0.338 4.688 4.350 -0.000 0.000 0.284 131 T C -0.358 174.529 174.700 0.311 0.000 1.014 131 T CA -0.707 61.508 62.100 0.193 0.000 1.051 131 T CB 1.042 70.040 68.868 0.216 0.000 1.028 131 T HN 0.699 nan 8.240 nan 0.000 0.485 132 D N 2.153 122.684 120.400 0.218 0.000 2.478 132 D HA 0.474 5.114 4.640 -0.000 0.000 0.269 132 D C -0.327 176.052 176.300 0.131 0.000 1.232 132 D CA -0.575 53.552 54.000 0.212 0.000 1.059 132 D CB 0.497 41.353 40.800 0.093 0.000 1.104 132 D HN 0.570 nan 8.370 nan 0.000 0.566 133 I N -1.577 118.936 120.570 -0.096 0.000 2.686 133 I HA 0.320 4.490 4.170 -0.000 0.000 0.295 133 I C -1.039 175.004 176.117 -0.124 0.000 1.114 133 I CA -0.503 60.635 61.300 -0.269 0.000 1.038 133 I CB 2.128 39.575 38.000 -0.922 0.000 1.238 133 I HN 0.332 nan 8.210 nan 0.000 0.420 134 T N 7.335 121.853 114.554 -0.059 0.000 2.882 134 T HA 0.499 4.849 4.350 -0.000 0.000 0.287 134 T C -0.349 174.464 174.700 0.188 0.000 0.992 134 T CA -0.326 61.798 62.100 0.039 0.000 1.076 134 T CB 0.825 69.700 68.868 0.012 0.000 0.961 134 T HN 0.311 nan 8.240 nan 0.000 0.490 135 L N 2.810 124.116 121.223 0.138 0.000 2.298 135 L HA 0.513 4.853 4.340 -0.000 0.000 0.284 135 L C 1.107 178.025 176.870 0.079 0.000 1.013 135 L CA -0.937 53.961 54.840 0.097 0.000 0.824 135 L CB 1.156 43.224 42.059 0.015 0.000 1.221 135 L HN 0.748 nan 8.230 nan 0.000 0.418 136 G N 3.471 112.253 108.800 -0.031 0.000 2.569 136 G HA2 0.388 4.348 3.960 -0.000 0.000 0.249 136 G HA3 0.388 4.348 3.960 -0.000 0.000 0.249 136 G C 0.125 174.963 174.900 -0.104 0.000 1.216 136 G CA -0.633 44.420 45.100 -0.077 0.000 0.845 136 G HN 0.498 nan 8.290 nan 0.000 0.568 137 I N 1.096 121.628 120.570 -0.064 0.000 2.775 137 I HA 0.095 4.265 4.170 -0.000 0.000 0.290 137 I C 0.386 176.455 176.117 -0.080 0.000 1.203 137 I CA 0.821 62.085 61.300 -0.060 0.000 1.433 137 I CB 0.407 38.378 38.000 -0.048 0.000 1.354 137 I HN 0.404 nan 8.210 nan 0.000 0.579 138 D N 3.511 123.873 120.400 -0.063 0.000 2.809 138 D HA 0.124 4.764 4.640 -0.000 0.000 0.336 138 D C -1.046 175.229 176.300 -0.042 0.000 1.367 138 D CA -0.542 53.421 54.000 -0.062 0.000 0.815 138 D CB 1.322 42.071 40.800 -0.086 0.000 1.381 138 D HN 0.256 nan 8.370 nan 0.000 0.471 139 E N 0.833 121.010 120.200 -0.038 0.000 2.415 139 E HA 0.140 4.490 4.350 -0.000 0.000 0.262 139 E C -1.596 174.987 176.600 -0.028 0.000 1.038 139 E CA -1.081 55.302 56.400 -0.028 0.000 0.921 139 E CB 0.545 30.230 29.700 -0.025 0.000 0.950 139 E HN 0.156 nan 8.360 nan 0.000 0.438 140 P HA -0.250 nan 4.420 nan 0.000 0.217 140 P C 0.957 178.243 177.300 -0.024 0.000 1.162 140 P CA 2.223 65.309 63.100 -0.024 0.000 0.901 140 P CB 0.029 31.716 31.700 -0.023 0.000 0.793 141 N N -1.272 117.416 118.700 -0.020 0.000 2.223 141 N HA -0.111 4.629 4.740 -0.000 0.000 0.185 141 N C 1.357 176.854 175.510 -0.022 0.000 1.016 141 N CA 0.864 53.904 53.050 -0.018 0.000 0.863 141 N CB -0.992 37.487 38.487 -0.014 0.000 0.983 141 N HN -0.041 nan 8.380 nan 0.000 0.429 142 V N 1.125 121.022 119.914 -0.028 0.000 2.379 142 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 142 V C 2.505 178.574 176.094 -0.042 0.000 1.044 142 V CA 1.517 63.795 62.300 -0.036 0.000 1.036 142 V CB -0.520 31.276 31.823 -0.044 0.000 0.664 142 V HN 0.380 nan 8.190 nan 0.000 0.453 143 M N -0.082 119.493 119.600 -0.043 0.000 2.159 143 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 143 M C 2.393 178.675 176.300 -0.031 0.000 1.063 143 M CA 2.044 57.318 55.300 -0.043 0.000 1.110 143 M CB -0.587 31.990 32.600 -0.038 0.000 1.374 143 M HN 0.415 nan 8.290 nan 0.000 0.411 144 A N -0.062 122.743 122.820 -0.026 0.000 1.877 144 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 144 A C 2.029 179.604 177.584 -0.015 0.000 1.186 144 A CA 1.875 53.900 52.037 -0.019 0.000 0.620 144 A CB -0.871 18.119 19.000 -0.016 0.000 0.822 144 A HN 0.585 nan 8.150 nan 0.000 0.443 145 Q N -0.616 119.174 119.800 -0.017 0.000 2.050 145 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 145 Q C 1.989 177.982 176.000 -0.012 0.000 0.980 145 Q CA 1.664 57.459 55.803 -0.013 0.000 0.840 145 Q CB -0.119 28.610 28.738 -0.015 0.000 0.898 145 Q HN 0.431 nan 8.270 nan 0.000 0.424 146 K N 0.063 120.450 120.400 -0.021 0.000 2.097 146 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 146 K C 1.973 178.568 176.600 -0.009 0.000 1.049 146 K CA 1.090 57.364 56.287 -0.021 0.000 0.933 146 K CB -0.352 32.123 32.500 -0.042 0.000 0.717 146 K HN 0.330 nan 8.250 nan 0.000 0.442 147 A N 0.914 123.728 122.820 -0.010 0.000 1.883 147 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 147 A C 2.445 180.037 177.584 0.013 0.000 1.186 147 A CA 1.865 53.902 52.037 -0.001 0.000 0.624 147 A CB -0.749 18.247 19.000 -0.007 0.000 0.822 147 A HN 0.082 nan 8.150 nan 0.000 0.444 148 V N 0.208 120.127 119.914 0.009 0.000 2.332 148 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 148 V C 2.382 178.492 176.094 0.026 0.000 1.055 148 V CA 2.389 64.698 62.300 0.016 0.000 1.038 148 V CB -1.028 30.801 31.823 0.009 0.000 0.651 148 V HN 0.663 nan 8.190 nan 0.000 0.450 149 E N -0.124 120.089 120.200 0.021 0.000 2.110 149 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 149 E C 2.258 178.889 176.600 0.052 0.000 0.988 149 E CA 0.990 57.407 56.400 0.028 0.000 0.804 149 E CB -0.127 29.583 29.700 0.017 0.000 0.745 149 E HN 0.436 nan 8.360 nan 0.000 0.458 150 K N 0.428 120.860 120.400 0.054 0.000 2.167 150 K HA -0.017 4.303 4.320 -0.000 0.000 0.203 150 K C 2.143 178.868 176.600 0.207 0.000 1.052 150 K CA 0.484 56.830 56.287 0.099 0.000 0.956 150 K CB -0.388 32.101 32.500 -0.018 0.000 0.735 150 K HN 0.054 nan 8.250 nan 0.000 0.451 151 V N 1.852 121.846 119.914 0.133 0.000 2.626 151 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 151 V C 2.086 178.237 176.094 0.094 0.000 1.067 151 V CA 1.467 63.846 62.300 0.131 0.000 1.081 151 V CB -0.381 31.488 31.823 0.077 0.000 0.686 151 V HN 0.311 nan 8.190 nan 0.000 0.468 152 K N -0.208 120.235 120.400 0.073 0.000 2.280 152 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 152 K C 1.685 178.306 176.600 0.036 0.000 1.047 152 K CA 0.982 57.294 56.287 0.042 0.000 0.942 152 K CB -0.138 32.381 32.500 0.031 0.000 0.739 152 K HN 0.415 nan 8.250 nan 0.000 0.457 153 L N -0.434 120.839 121.223 0.083 0.000 2.599 153 L HA 0.074 4.414 4.340 -0.000 0.000 0.230 153 L C 1.126 177.931 176.870 -0.109 0.000 1.141 153 L CA 0.358 55.223 54.840 0.042 0.000 0.877 153 L CB 0.098 42.270 42.059 0.188 0.000 1.009 153 L HN 0.403 nan 8.230 nan 0.000 0.447 154 G N -0.688 108.069 108.800 -0.073 0.000 2.176 154 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.232 154 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.232 154 G C 0.085 174.852 174.900 -0.222 0.000 0.986 154 G CA -0.631 44.366 45.100 -0.171 0.000 0.643 154 G HN 0.143 nan 8.290 nan 0.000 0.522 155 F N 2.233 122.176 119.950 -0.011 0.000 2.467 155 F HA 0.409 4.936 4.527 0.000 0.000 0.362 155 F C 1.441 177.249 175.800 0.014 0.000 1.090 155 F CA 0.123 58.129 58.000 0.009 0.000 1.202 155 F CB 1.100 40.114 39.000 0.023 0.000 1.113 155 F HN 0.179 nan 8.300 nan 0.000 0.541 156 D N -0.559 119.937 120.400 0.158 0.000 2.369 156 D HA 0.050 4.690 4.640 -0.000 0.000 0.211 156 D C -0.024 176.345 176.300 0.116 0.000 1.077 156 D CA 0.170 54.233 54.000 0.105 0.000 0.842 156 D CB 0.007 40.841 40.800 0.057 0.000 0.947 156 D HN 0.304 nan 8.370 nan 0.000 0.509 157 T N 0.744 115.396 114.554 0.163 0.000 2.928 157 T HA 0.517 4.867 4.350 -0.000 0.000 0.296 157 T C -0.528 174.243 174.700 0.118 0.000 1.000 157 T CA -0.645 61.529 62.100 0.123 0.000 0.989 157 T CB 1.722 70.657 68.868 0.112 0.000 1.005 157 T HN 0.001 nan 8.240 nan 0.000 0.442 158 L N 2.636 123.901 121.223 0.069 0.000 2.346 158 L HA 0.622 4.962 4.340 -0.000 0.000 0.276 158 L C 0.043 176.927 176.870 0.024 0.000 1.006 158 L CA -1.046 53.813 54.840 0.032 0.000 0.817 158 L CB 2.047 44.119 42.059 0.021 0.000 1.272 158 L HN 0.427 nan 8.230 nan 0.000 0.421 159 K N 3.952 124.358 120.400 0.010 0.000 2.316 159 K HA 0.528 4.848 4.320 -0.000 0.000 0.267 159 K C -0.972 175.635 176.600 0.012 0.000 1.025 159 K CA -0.393 55.899 56.287 0.009 0.000 0.896 159 K CB 0.739 33.238 32.500 -0.001 0.000 1.124 159 K HN 0.524 nan 8.250 nan 0.000 0.451 160 I N 5.091 125.667 120.570 0.010 0.000 2.325 160 I HA 0.186 4.356 4.170 -0.000 0.000 0.291 160 I C 0.171 176.285 176.117 -0.005 0.000 1.019 160 I CA -0.800 60.504 61.300 0.008 0.000 1.302 160 I CB 1.035 39.041 38.000 0.011 0.000 1.401 160 I HN 0.340 nan 8.210 nan 0.000 0.485 161 K N 6.554 126.951 120.400 -0.004 0.000 2.205 161 K HA 0.584 4.904 4.320 -0.000 0.000 0.279 161 K C -0.287 176.289 176.600 -0.040 0.000 1.027 161 K CA -0.272 55.997 56.287 -0.030 0.000 0.932 161 K CB 1.996 34.493 32.500 -0.004 0.000 1.032 161 K HN 0.547 nan 8.250 nan 0.000 0.466 162 V N -2.418 117.446 119.914 -0.084 0.000 3.165 162 V HA 0.909 5.029 4.120 -0.000 0.000 0.309 162 V C 0.430 176.439 176.094 -0.142 0.000 1.267 162 V CA -0.257 62.014 62.300 -0.048 0.000 1.067 162 V CB 1.708 33.565 31.823 0.057 0.000 1.082 162 V HN 0.789 nan 8.190 nan 0.000 0.451 163 G N -0.347 108.430 108.800 -0.039 0.000 2.456 163 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.208 163 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.208 163 G C 0.559 175.480 174.900 0.036 0.000 1.004 163 G CA 0.889 45.926 45.100 -0.105 0.000 0.791 163 G HN 1.808 nan 8.290 nan 0.000 0.537 164 T N -1.709 112.895 114.554 0.083 0.000 3.054 164 T HA 0.529 4.879 4.350 -0.000 0.000 0.259 164 T C 1.203 175.965 174.700 0.102 0.000 1.092 164 T CA 1.077 63.215 62.100 0.063 0.000 1.121 164 T CB 1.009 69.897 68.868 0.034 0.000 0.912 164 T HN 1.902 nan 8.240 nan 0.000 0.489 165 G N 0.188 109.093 108.800 0.175 0.000 2.341 165 G HA2 0.387 4.347 3.960 -0.000 0.000 0.300 165 G HA3 0.387 4.347 3.960 -0.000 0.000 0.300 165 G C -0.077 174.885 174.900 0.104 0.000 1.706 165 G CA -0.554 44.628 45.100 0.136 0.000 0.916 165 G HN 0.041 nan 8.290 nan 0.000 0.716 166 I N 1.197 121.756 120.570 -0.018 0.000 2.103 166 I HA -0.322 3.848 4.170 -0.000 0.000 0.241 166 I C 2.975 179.024 176.117 -0.113 0.000 1.036 166 I CA 2.604 63.785 61.300 -0.199 0.000 1.300 166 I CB -0.256 37.588 38.000 -0.261 0.000 1.010 166 I HN 0.808 nan 8.210 nan 0.000 0.406 167 E N 1.639 121.798 120.200 -0.069 0.000 2.038 167 E HA -0.253 4.097 4.350 -0.000 0.000 0.195 167 E C 2.272 178.854 176.600 -0.030 0.000 1.000 167 E CA 1.844 58.213 56.400 -0.052 0.000 0.803 167 E CB -0.944 28.734 29.700 -0.037 0.000 0.750 167 E HN 0.520 nan 8.360 nan 0.000 0.448 168 A N 2.058 124.876 122.820 -0.003 0.000 1.898 168 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 168 A C 1.887 179.484 177.584 0.023 0.000 1.181 168 A CA 1.791 53.833 52.037 0.008 0.000 0.620 168 A CB -0.413 18.599 19.000 0.020 0.000 0.819 168 A HN 0.174 nan 8.150 nan 0.000 0.442 169 D N 0.130 120.571 120.400 0.069 0.000 2.117 169 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 169 D C 1.881 178.213 176.300 0.053 0.000 0.987 169 D CA 1.126 55.203 54.000 0.128 0.000 0.829 169 D CB -0.354 40.660 40.800 0.356 0.000 0.961 169 D HN 0.520 nan 8.370 nan 0.000 0.460 170 I N 1.319 121.877 120.570 -0.021 0.000 2.179 170 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 170 I C 2.507 178.554 176.117 -0.117 0.000 1.088 170 I CA 1.042 62.285 61.300 -0.094 0.000 1.357 170 I CB -0.219 37.706 38.000 -0.126 0.000 1.051 170 I HN -0.076 nan 8.210 nan 0.000 0.409 171 A N 0.778 123.551 122.820 -0.078 0.000 1.940 171 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 171 A C 2.370 179.913 177.584 -0.068 0.000 1.176 171 A CA 1.508 53.501 52.037 -0.073 0.000 0.631 171 A CB -0.556 18.419 19.000 -0.042 0.000 0.814 171 A HN 0.333 nan 8.150 nan 0.000 0.446 172 R N -0.755 119.719 120.500 -0.043 0.000 2.073 172 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 172 R C 2.059 178.328 176.300 -0.052 0.000 1.134 172 R CA 1.550 57.630 56.100 -0.033 0.000 0.952 172 R CB -0.606 29.689 30.300 -0.007 0.000 0.850 172 R HN 0.395 nan 8.270 nan 0.000 0.433 173 V N 2.006 121.879 119.914 -0.069 0.000 2.295 173 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 173 V C 2.218 178.213 176.094 -0.164 0.000 1.049 173 V CA 1.686 63.930 62.300 -0.093 0.000 1.024 173 V CB -0.458 31.310 31.823 -0.091 0.000 0.648 173 V HN 0.299 nan 8.190 nan 0.000 0.447 174 K N 0.888 121.118 120.400 -0.282 0.000 2.032 174 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 174 K C 2.347 178.908 176.600 -0.064 0.000 1.048 174 K CA 1.735 57.832 56.287 -0.317 0.000 0.927 174 K CB -0.786 31.524 32.500 -0.316 0.000 0.712 174 K HN 0.472 nan 8.250 nan 0.000 0.441 175 A N 1.822 124.607 122.820 -0.057 0.000 1.883 175 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 175 A C 2.316 179.888 177.584 -0.020 0.000 1.186 175 A CA 1.404 53.428 52.037 -0.022 0.000 0.624 175 A CB -0.656 18.329 19.000 -0.025 0.000 0.822 175 A HN 0.211 nan 8.150 nan 0.000 0.444 176 I N -1.142 119.409 120.570 -0.032 0.000 2.202 176 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 176 I C 2.662 178.754 176.117 -0.043 0.000 1.091 176 I CA 1.670 62.952 61.300 -0.031 0.000 1.368 176 I CB -0.259 37.724 38.000 -0.029 0.000 1.058 176 I HN 0.292 nan 8.210 nan 0.000 0.410 177 R N 1.626 122.098 120.500 -0.046 0.000 2.081 177 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 177 R C 1.960 178.184 176.300 -0.126 0.000 1.131 177 R CA 1.748 57.782 56.100 -0.109 0.000 0.960 177 R CB -0.491 29.804 30.300 -0.008 0.000 0.856 177 R HN 0.393 nan 8.270 nan 0.000 0.436 178 E N -0.575 119.613 120.200 -0.019 0.000 2.150 178 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 178 E C 1.804 178.396 176.600 -0.013 0.000 0.985 178 E CA 1.113 57.514 56.400 0.003 0.000 0.814 178 E CB -0.114 29.618 29.700 0.053 0.000 0.752 178 E HN 0.500 nan 8.360 nan 0.000 0.466 179 A N 0.991 123.800 122.820 -0.019 0.000 1.930 179 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 179 A C 2.376 179.949 177.584 -0.018 0.000 1.176 179 A CA 1.292 53.322 52.037 -0.013 0.000 0.632 179 A CB -0.199 18.795 19.000 -0.011 0.000 0.819 179 A HN 0.227 nan 8.150 nan 0.000 0.445 180 V N -4.210 115.680 119.914 -0.039 0.000 3.565 180 V HA 0.555 4.675 4.120 -0.000 0.000 0.260 180 V C 1.116 177.180 176.094 -0.049 0.000 1.231 180 V CA 0.504 62.784 62.300 -0.033 0.000 1.100 180 V CB -1.036 30.771 31.823 -0.027 0.000 0.807 180 V HN 1.676 nan 8.190 nan 0.000 0.454 181 G N 0.348 109.082 108.800 -0.111 0.000 2.757 181 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.638 181 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.638 181 G C -0.410 174.351 174.900 -0.232 0.000 1.344 181 G CA 0.007 45.036 45.100 -0.119 0.000 0.855 181 G HN 0.308 nan 8.290 nan 0.000 0.537 182 F N 0.331 120.296 119.950 0.024 0.000 2.797 182 F HA 0.206 4.733 4.527 0.000 0.000 0.302 182 F C 2.085 177.900 175.800 0.025 0.000 1.130 182 F CA 0.735 58.748 58.000 0.023 0.000 1.387 182 F CB 0.400 39.403 39.000 0.004 0.000 1.107 182 F HN 0.355 nan 8.300 nan 0.000 0.577 183 D N 0.069 120.548 120.400 0.132 0.000 2.347 183 D HA 0.026 4.666 4.640 -0.000 0.000 0.213 183 D C 0.832 177.174 176.300 0.070 0.000 0.985 183 D CA 0.738 54.795 54.000 0.095 0.000 0.879 183 D CB 0.460 41.302 40.800 0.069 0.000 0.919 183 D HN 0.046 nan 8.370 nan 0.000 0.526 184 I N 1.435 122.034 120.570 0.048 0.000 2.385 184 I HA 0.142 4.312 4.170 -0.000 0.000 0.294 184 I C 0.716 176.861 176.117 0.046 0.000 0.988 184 I CA -0.654 60.671 61.300 0.042 0.000 1.265 184 I CB 1.177 39.191 38.000 0.024 0.000 1.388 184 I HN -0.398 nan 8.210 nan 0.000 0.480 185 K N 6.501 126.937 120.400 0.060 0.000 2.276 185 K HA 0.519 4.839 4.320 -0.000 0.000 0.283 185 K C -0.860 175.772 176.600 0.054 0.000 1.044 185 K CA -0.415 55.910 56.287 0.063 0.000 0.944 185 K CB 1.131 33.671 32.500 0.066 0.000 1.012 185 K HN 0.427 nan 8.250 nan 0.000 0.472 186 L N 4.973 126.227 121.223 0.052 0.000 2.343 186 L HA 0.441 4.781 4.340 -0.000 0.000 0.278 186 L C -0.081 176.819 176.870 0.051 0.000 0.996 186 L CA -0.870 53.996 54.840 0.044 0.000 0.831 186 L CB 1.368 43.446 42.059 0.033 0.000 1.232 186 L HN 0.578 nan 8.230 nan 0.000 0.413 187 R N 3.969 124.495 120.500 0.042 0.000 2.589 187 R HA 0.826 5.166 4.340 -0.000 0.000 0.293 187 R C -1.308 175.011 176.300 0.031 0.000 0.963 187 R CA -0.859 55.265 56.100 0.040 0.000 0.905 187 R CB 1.654 31.974 30.300 0.033 0.000 1.144 187 R HN 0.450 nan 8.270 nan 0.000 0.459 188 L N 1.243 122.487 121.223 0.035 0.000 2.334 188 L HA 0.515 4.855 4.340 -0.000 0.000 0.270 188 L C -0.568 176.286 176.870 -0.027 0.000 1.018 188 L CA -1.036 53.816 54.840 0.021 0.000 0.811 188 L CB 1.672 43.775 42.059 0.073 0.000 1.271 188 L HN 0.681 nan 8.230 nan 0.000 0.443 189 D N 0.416 120.768 120.400 -0.080 0.000 2.602 189 D HA 0.415 5.055 4.640 -0.000 0.000 0.245 189 D C -0.016 176.134 176.300 -0.250 0.000 1.325 189 D CA -0.367 53.554 54.000 -0.132 0.000 0.952 189 D CB 2.210 42.960 40.800 -0.083 0.000 1.317 189 D HN 0.572 nan 8.370 nan 0.000 0.577 190 A N 3.447 126.015 122.820 -0.420 0.000 2.238 190 A HA 0.135 4.455 4.320 -0.000 0.000 0.210 190 A C 0.805 178.123 177.584 -0.444 0.000 1.179 190 A CA 0.083 51.710 52.037 -0.684 0.000 0.827 190 A CB -0.617 17.532 19.000 -1.419 0.000 0.856 190 A HN 0.773 nan 8.150 nan 0.000 0.488 191 N N 0.024 118.558 118.700 -0.275 0.000 2.705 191 N HA -0.262 4.478 4.740 -0.000 0.000 0.255 191 N C -0.025 175.378 175.510 -0.178 0.000 1.008 191 N CA 0.780 53.719 53.050 -0.184 0.000 0.742 191 N CB -1.236 37.148 38.487 -0.172 0.000 0.906 191 N HN 0.675 nan 8.380 nan 0.000 0.541 192 Q N -4.198 115.499 119.800 -0.170 0.000 2.362 192 Q HA -0.347 3.993 4.340 -0.000 0.000 0.220 192 Q C 1.253 177.181 176.000 -0.120 0.000 0.713 192 Q CA 1.025 56.762 55.803 -0.109 0.000 1.345 192 Q CB -1.593 27.115 28.738 -0.050 0.000 1.570 192 Q HN 0.713 nan 8.270 nan 0.000 0.701 193 A N -0.438 122.235 122.820 -0.244 0.000 2.067 193 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 193 A C 0.425 178.025 177.584 0.026 0.000 1.158 193 A CA 0.757 52.686 52.037 -0.181 0.000 0.661 193 A CB -0.002 18.821 19.000 -0.294 0.000 0.801 193 A HN 0.404 nan 8.150 nan 0.000 0.452 194 W N 0.243 121.545 121.300 0.003 0.000 2.509 194 W HA 0.493 5.153 4.660 -0.001 0.000 0.351 194 W C 0.524 177.052 176.519 0.015 0.000 1.107 194 W CA -0.622 56.728 57.345 0.009 0.000 1.264 194 W CB 0.031 29.500 29.460 0.015 0.000 1.312 194 W HN 0.157 nan 8.180 nan 0.000 0.608 195 T N -1.382 113.323 114.554 0.252 0.000 2.849 195 T HA 0.222 4.572 4.350 -0.000 0.000 0.284 195 T C -1.764 173.032 174.700 0.160 0.000 1.004 195 T CA -1.369 60.814 62.100 0.139 0.000 1.021 195 T CB 1.656 70.566 68.868 0.070 0.000 1.013 195 T HN 0.002 nan 8.240 nan 0.000 0.527 196 P HA -0.105 nan 4.420 nan 0.000 0.214 196 P C 1.467 178.918 177.300 0.251 0.000 1.163 196 P CA 1.423 64.643 63.100 0.200 0.000 0.889 196 P CB 0.076 31.825 31.700 0.082 0.000 0.790 197 K N -1.008 119.474 120.400 0.137 0.000 2.097 197 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 197 K C 1.704 178.334 176.600 0.050 0.000 1.050 197 K CA 1.306 57.681 56.287 0.147 0.000 0.938 197 K CB -0.533 32.000 32.500 0.056 0.000 0.718 197 K HN 0.095 nan 8.250 nan 0.000 0.442 198 D N 0.726 121.127 120.400 0.002 0.000 2.144 198 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 198 D C 1.747 177.886 176.300 -0.269 0.000 0.984 198 D CA 1.056 54.977 54.000 -0.131 0.000 0.834 198 D CB -0.050 40.673 40.800 -0.128 0.000 0.955 198 D HN 0.184 nan 8.370 nan 0.000 0.465 199 A N 0.226 123.007 122.820 -0.065 0.000 1.898 199 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 199 A C 2.475 180.026 177.584 -0.054 0.000 1.181 199 A CA 1.138 53.173 52.037 -0.003 0.000 0.620 199 A CB -0.688 18.548 19.000 0.393 0.000 0.819 199 A HN 0.144 nan 8.150 nan 0.000 0.442 200 V N 0.253 120.178 119.914 0.019 0.000 2.343 200 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 200 V C 2.520 178.580 176.094 -0.058 0.000 1.051 200 V CA 2.389 64.685 62.300 -0.006 0.000 1.036 200 V CB -0.669 31.167 31.823 0.022 0.000 0.654 200 V HN 0.680 nan 8.190 nan 0.000 0.451 201 K N 0.311 120.658 120.400 -0.088 0.000 2.026 201 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 201 K C 2.222 178.720 176.600 -0.169 0.000 1.048 201 K CA 1.632 57.852 56.287 -0.112 0.000 0.929 201 K CB -0.375 32.052 32.500 -0.121 0.000 0.713 201 K HN 0.415 nan 8.250 nan 0.000 0.439 202 A N 1.173 123.806 122.820 -0.312 0.000 1.902 202 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 202 A C 2.093 179.558 177.584 -0.199 0.000 1.181 202 A CA 1.492 53.302 52.037 -0.377 0.000 0.623 202 A CB -0.578 17.907 19.000 -0.859 0.000 0.818 202 A HN 0.360 nan 8.150 nan 0.000 0.443 203 I N -0.542 119.949 120.570 -0.132 0.000 2.226 203 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 203 I C 2.705 178.823 176.117 0.002 0.000 1.100 203 I CA 1.478 62.770 61.300 -0.012 0.000 1.374 203 I CB -0.428 37.592 38.000 0.033 0.000 1.057 203 I HN 0.454 nan 8.210 nan 0.000 0.413 204 Q N 0.537 120.325 119.800 -0.019 0.000 2.230 204 Q HA -0.080 4.260 4.340 -0.000 0.000 0.202 204 Q C 2.383 178.393 176.000 0.017 0.000 0.963 204 Q CA 1.326 57.130 55.803 0.001 0.000 0.866 204 Q CB -0.180 28.551 28.738 -0.011 0.000 0.931 204 Q HN 0.545 nan 8.270 nan 0.000 0.452 205 A N 0.344 123.157 122.820 -0.011 0.000 2.067 205 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 205 A C 1.506 179.125 177.584 0.058 0.000 1.158 205 A CA 0.929 52.967 52.037 0.003 0.000 0.661 205 A CB 0.065 19.032 19.000 -0.056 0.000 0.801 205 A HN 0.205 nan 8.150 nan 0.000 0.452 206 L N -0.995 120.265 121.223 0.061 0.000 2.700 206 L HA 0.335 4.675 4.340 -0.000 0.000 0.234 206 L C 2.305 179.341 176.870 0.276 0.000 1.156 206 L CA 0.612 55.541 54.840 0.149 0.000 0.946 206 L CB -0.597 41.484 42.059 0.038 0.000 1.216 206 L HN 0.313 nan 8.230 nan 0.000 0.493 207 A N -0.283 122.647 122.820 0.184 0.000 1.903 207 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 207 A C 1.733 179.403 177.584 0.143 0.000 1.191 207 A CA 2.130 54.248 52.037 0.136 0.000 0.638 207 A CB -0.368 18.679 19.000 0.078 0.000 0.823 207 A HN 0.405 nan 8.150 nan 0.000 0.451 208 D N -2.047 118.439 120.400 0.143 0.000 2.336 208 D HA 0.051 4.691 4.640 -0.000 0.000 0.229 208 D C 0.128 176.396 176.300 -0.053 0.000 1.061 208 D CA 0.447 54.439 54.000 -0.013 0.000 0.875 208 D CB -0.126 40.598 40.800 -0.126 0.000 0.904 208 D HN 0.682 nan 8.370 nan 0.000 0.525 209 Y N 0.458 120.880 120.300 0.203 0.000 2.524 209 Y HA 0.101 4.651 4.550 0.001 0.000 0.266 209 Y C 0.680 176.751 175.900 0.284 0.000 1.180 209 Y CA -0.298 57.963 58.100 0.268 0.000 1.244 209 Y CB 0.221 38.744 38.460 0.106 0.000 1.125 209 Y HN -0.117 nan 8.280 nan 0.000 0.524 210 Q N 1.560 121.570 119.800 0.349 0.000 2.453 210 Q HA -0.190 4.150 4.340 -0.000 0.000 0.350 210 Q C -1.153 174.963 176.000 0.194 0.000 1.447 210 Q CA -0.197 55.765 55.803 0.265 0.000 0.968 210 Q CB -0.882 28.088 28.738 0.388 0.000 1.175 210 Q HN 0.264 nan 8.270 nan 0.000 0.354 211 I N 2.143 122.809 120.570 0.161 0.000 2.352 211 I HA 0.001 4.171 4.170 -0.000 0.000 0.290 211 I C 1.617 177.792 176.117 0.097 0.000 1.036 211 I CA 0.529 61.902 61.300 0.123 0.000 1.336 211 I CB 1.102 39.173 38.000 0.119 0.000 1.407 211 I HN 0.570 nan 8.210 nan 0.000 0.497 212 E N 6.613 126.863 120.200 0.083 0.000 2.028 212 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 212 E C -0.323 176.312 176.600 0.059 0.000 0.988 212 E CA 1.243 57.683 56.400 0.067 0.000 0.799 212 E CB 0.407 30.143 29.700 0.060 0.000 0.755 212 E HN 0.583 nan 8.360 nan 0.000 0.447 213 L N -3.402 117.856 121.223 0.058 0.000 2.775 213 L HA 0.519 4.859 4.340 -0.000 0.000 0.263 213 L C -1.343 175.562 176.870 0.058 0.000 1.017 213 L CA -1.129 53.743 54.840 0.053 0.000 0.891 213 L CB 1.821 43.904 42.059 0.039 0.000 1.482 213 L HN -0.296 nan 8.230 nan 0.000 0.410 214 V N 0.406 120.356 119.914 0.060 0.000 2.487 214 V HA 0.526 4.646 4.120 -0.000 0.000 0.298 214 V C -0.366 175.745 176.094 0.028 0.000 1.028 214 V CA -0.324 62.013 62.300 0.062 0.000 0.860 214 V CB 1.487 33.387 31.823 0.128 0.000 0.991 214 V HN 0.843 nan 8.190 nan 0.000 0.427 215 E N 2.480 122.673 120.200 -0.011 0.000 2.249 215 E HA 0.330 4.680 4.350 -0.000 0.000 0.280 215 E C -0.149 176.417 176.600 -0.055 0.000 1.016 215 E CA -0.661 55.724 56.400 -0.026 0.000 0.830 215 E CB 0.873 30.551 29.700 -0.036 0.000 1.081 215 E HN 0.647 nan 8.360 nan 0.000 0.395 216 Q N 3.573 123.357 119.800 -0.026 0.000 2.377 216 Q HA -0.180 4.160 4.340 -0.000 0.000 0.368 216 Q C -1.938 174.017 176.000 -0.075 0.000 1.284 216 Q CA 0.363 56.150 55.803 -0.027 0.000 1.172 216 Q CB -0.054 28.671 28.738 -0.023 0.000 1.331 216 Q HN 0.395 nan 8.270 nan 0.000 0.311 217 P HA -0.087 nan 4.420 nan 0.000 0.221 217 P C 0.439 177.754 177.300 0.024 0.000 1.150 217 P CA 1.436 64.521 63.100 -0.025 0.000 0.800 217 P CB 0.121 31.947 31.700 0.209 0.000 0.787 218 V N -4.353 115.592 119.914 0.053 0.000 3.166 218 V HA 0.545 4.665 4.120 -0.000 0.000 0.317 218 V C -0.027 176.084 176.094 0.028 0.000 1.136 218 V CA -1.594 60.745 62.300 0.066 0.000 1.035 218 V CB 1.283 33.167 31.823 0.101 0.000 1.110 218 V HN -0.330 nan 8.190 nan 0.000 0.450 219 K N 1.599 122.017 120.400 0.030 0.000 2.527 219 K HA 0.041 4.361 4.320 -0.000 0.000 0.278 219 K C 1.574 178.187 176.600 0.022 0.000 0.981 219 K CA 0.754 57.051 56.287 0.017 0.000 1.009 219 K CB 0.390 32.899 32.500 0.015 0.000 0.895 219 K HN 0.915 nan 8.250 nan 0.000 0.493 220 R N 2.276 122.790 120.500 0.023 0.000 2.117 220 R HA -0.132 4.208 4.340 -0.000 0.000 0.243 220 R C 1.055 177.362 176.300 0.011 0.000 1.143 220 R CA 1.073 57.192 56.100 0.032 0.000 0.968 220 R CB -0.022 30.309 30.300 0.052 0.000 0.863 220 R HN 0.297 nan 8.270 nan 0.000 0.444 221 R N 0.772 121.268 120.500 -0.006 0.000 2.275 221 R HA 0.020 4.360 4.340 -0.000 0.000 0.199 221 R C 0.057 176.356 176.300 -0.003 0.000 0.989 221 R CA 0.431 56.520 56.100 -0.018 0.000 1.016 221 R CB -0.386 29.895 30.300 -0.032 0.000 0.918 221 R HN 0.263 nan 8.270 nan 0.000 0.473 222 D N 1.348 121.754 120.400 0.010 0.000 2.619 222 D HA 0.056 4.696 4.640 -0.000 0.000 0.224 222 D C 1.181 177.500 176.300 0.032 0.000 1.133 222 D CA -0.012 53.999 54.000 0.019 0.000 1.017 222 D CB -0.098 40.717 40.800 0.025 0.000 1.077 222 D HN 0.036 nan 8.370 nan 0.000 0.503 223 L N 0.911 122.149 121.223 0.026 0.000 2.141 223 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 223 L C 2.043 178.941 176.870 0.047 0.000 1.094 223 L CA 0.834 55.694 54.840 0.035 0.000 0.763 223 L CB -0.129 41.945 42.059 0.024 0.000 0.908 223 L HN 0.292 nan 8.230 nan 0.000 0.437 224 E N 0.304 120.528 120.200 0.041 0.000 2.072 224 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 224 E C 2.274 178.926 176.600 0.087 0.000 0.985 224 E CA 1.035 57.466 56.400 0.053 0.000 0.801 224 E CB -0.277 29.441 29.700 0.029 0.000 0.750 224 E HN 0.531 nan 8.360 nan 0.000 0.452 225 G N 1.532 110.375 108.800 0.071 0.000 2.418 225 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 225 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 225 G C 1.563 176.563 174.900 0.167 0.000 1.158 225 G CA 0.444 45.606 45.100 0.104 0.000 0.771 225 G HN 0.114 nan 8.290 nan 0.000 0.545 226 L N 0.747 122.039 121.223 0.115 0.000 2.056 226 L HA 0.104 4.444 4.340 -0.000 0.000 0.207 226 L C 2.632 179.564 176.870 0.104 0.000 1.078 226 L CA 2.305 57.208 54.840 0.106 0.000 0.749 226 L CB -0.506 41.597 42.059 0.073 0.000 0.901 226 L HN 0.250 nan 8.230 nan 0.000 0.433 227 K N -1.875 118.585 120.400 0.099 0.000 2.097 227 K HA -0.265 4.055 4.320 -0.000 0.000 0.205 227 K C 2.279 178.937 176.600 0.097 0.000 1.050 227 K CA 1.584 57.919 56.287 0.081 0.000 0.938 227 K CB -0.424 32.119 32.500 0.072 0.000 0.718 227 K HN 0.412 nan 8.250 nan 0.000 0.442 228 Y N 1.277 121.593 120.300 0.027 0.000 2.097 228 Y HA -0.280 4.271 4.550 0.000 0.000 0.282 228 Y C 1.813 177.731 175.900 0.031 0.000 1.152 228 Y CA 1.774 59.889 58.100 0.026 0.000 1.136 228 Y CB -0.483 37.992 38.460 0.025 0.000 0.975 228 Y HN -0.156 nan 8.280 nan 0.000 0.498 229 V N -0.244 119.685 119.914 0.025 0.000 2.287 229 V HA -0.366 3.754 4.120 -0.000 0.000 0.248 229 V C 2.299 178.340 176.094 -0.089 0.000 1.053 229 V CA 2.552 64.820 62.300 -0.054 0.000 1.027 229 V CB -1.353 30.530 31.823 0.101 0.000 0.646 229 V HN 0.507 nan 8.190 nan 0.000 0.447 230 T N 0.538 115.075 114.554 -0.027 0.000 2.759 230 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 230 T C 2.010 176.675 174.700 -0.058 0.000 1.042 230 T CA 1.875 63.962 62.100 -0.022 0.000 1.140 230 T CB -0.343 68.528 68.868 0.006 0.000 0.864 230 T HN 0.740 nan 8.240 nan 0.000 0.455 231 S N 0.692 116.334 115.700 -0.096 0.000 2.489 231 S HA 0.018 4.488 4.470 -0.000 0.000 0.228 231 S C 1.837 176.341 174.600 -0.160 0.000 0.995 231 S CA 0.243 58.381 58.200 -0.104 0.000 0.934 231 S CB -0.105 63.047 63.200 -0.080 0.000 0.771 231 S HN 0.289 nan 8.310 nan 0.000 0.522 232 Q N 0.951 120.595 119.800 -0.259 0.000 2.396 232 Q HA 0.315 4.655 4.340 -0.000 0.000 0.209 232 Q C 0.752 176.668 176.000 -0.140 0.000 0.906 232 Q CA 0.370 56.017 55.803 -0.260 0.000 0.927 232 Q CB 0.888 29.341 28.738 -0.475 0.000 1.069 232 Q HN 0.702 nan 8.270 nan 0.000 0.523 233 V N -2.358 117.497 119.914 -0.099 0.000 3.001 233 V HA 0.528 4.648 4.120 -0.000 0.000 0.314 233 V C 0.452 176.531 176.094 -0.024 0.000 1.099 233 V CA -0.923 61.349 62.300 -0.046 0.000 0.989 233 V CB 1.989 33.798 31.823 -0.024 0.000 1.040 233 V HN -0.147 nan 8.190 nan 0.000 0.434 234 N N 0.384 119.080 118.700 -0.007 0.000 2.373 234 N HA 0.062 4.802 4.740 -0.000 0.000 0.181 234 N C 0.560 176.079 175.510 0.015 0.000 1.082 234 N CA 0.418 53.469 53.050 0.002 0.000 0.885 234 N CB 0.271 38.760 38.487 0.004 0.000 0.977 234 N HN 0.822 nan 8.380 nan 0.000 0.462 235 T N 1.791 116.360 114.554 0.024 0.000 2.853 235 T HA 0.052 4.402 4.350 -0.000 0.000 0.298 235 T C 0.380 175.102 174.700 0.036 0.000 0.978 235 T CA 0.245 62.369 62.100 0.040 0.000 1.152 235 T CB 0.642 69.544 68.868 0.057 0.000 0.914 235 T HN 0.032 nan 8.240 nan 0.000 0.539 236 T N 5.467 120.043 114.554 0.036 0.000 2.866 236 T HA 0.084 4.434 4.350 -0.000 0.000 0.293 236 T C 0.397 175.119 174.700 0.037 0.000 1.005 236 T CA -0.106 62.013 62.100 0.032 0.000 1.162 236 T CB -0.091 68.795 68.868 0.030 0.000 0.968 236 T HN 0.278 nan 8.240 nan 0.000 0.530 237 I N 4.001 124.590 120.570 0.032 0.000 2.378 237 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 237 I C 0.089 176.223 176.117 0.029 0.000 0.992 237 I CA -0.704 60.618 61.300 0.038 0.000 1.154 237 I CB 1.431 39.455 38.000 0.040 0.000 1.315 237 I HN 0.650 nan 8.210 nan 0.000 0.448 238 M N 5.241 124.857 119.600 0.027 0.000 2.383 238 M HA 0.702 5.182 4.480 -0.000 0.000 0.325 238 M C -0.779 175.533 176.300 0.019 0.000 1.092 238 M CA -0.559 54.752 55.300 0.019 0.000 0.961 238 M CB 2.043 34.651 32.600 0.012 0.000 1.672 238 M HN 0.689 nan 8.290 nan 0.000 0.438 239 A N 3.016 125.849 122.820 0.023 0.000 2.310 239 A HA 0.453 4.773 4.320 -0.000 0.000 0.299 239 A C -0.490 177.111 177.584 0.028 0.000 1.147 239 A CA -0.384 51.672 52.037 0.032 0.000 0.818 239 A CB 0.799 19.824 19.000 0.042 0.000 1.096 239 A HN 0.959 nan 8.150 nan 0.000 0.495 240 D N 0.446 120.867 120.400 0.035 0.000 3.054 240 D HA 0.029 4.669 4.640 -0.000 0.000 0.209 240 D C 1.224 177.570 176.300 0.077 0.000 1.527 240 D CA 0.471 54.486 54.000 0.025 0.000 1.427 240 D CB -0.262 40.538 40.800 0.001 0.000 1.059 240 D HN 0.446 nan 8.370 nan 0.000 0.243 241 E N 0.071 120.337 120.200 0.109 0.000 2.333 241 E HA 0.003 4.353 4.350 -0.000 0.000 0.198 241 E C 1.718 178.506 176.600 0.312 0.000 1.007 241 E CA 0.783 57.335 56.400 0.255 0.000 0.845 241 E CB -0.027 29.793 29.700 0.200 0.000 0.766 241 E HN 0.039 nan 8.360 nan 0.000 0.507 242 S N -0.645 115.160 115.700 0.176 0.000 2.562 242 S HA 0.026 4.496 4.470 -0.000 0.000 0.221 242 S C 0.242 174.939 174.600 0.161 0.000 0.975 242 S CA 0.022 58.299 58.200 0.129 0.000 0.918 242 S CB 0.103 63.348 63.200 0.075 0.000 0.772 242 S HN 0.316 nan 8.310 nan 0.000 0.531 243 C N 0.969 120.410 119.300 0.235 0.000 2.478 243 C HA 0.590 5.050 4.460 -0.000 0.000 0.334 243 C C 0.427 175.614 174.990 0.330 0.000 1.106 243 C CA -0.849 58.303 59.018 0.222 0.000 1.363 243 C CB -1.075 26.731 27.740 0.110 0.000 1.941 243 C HN 0.409 nan 8.230 nan 0.000 0.436 244 F N 2.269 122.245 119.950 0.044 0.000 2.419 244 F HA 0.241 4.768 4.527 -0.000 0.000 0.283 244 F C 1.264 177.094 175.800 0.051 0.000 1.044 244 F CA 0.749 58.789 58.000 0.067 0.000 1.376 244 F CB -0.064 39.009 39.000 0.121 0.000 1.131 244 F HN 0.656 nan 8.300 nan 0.000 0.585 245 D N -1.631 118.916 120.400 0.245 0.000 2.687 245 D HA 0.490 5.130 4.640 -0.000 0.000 0.264 245 D C 1.032 177.373 176.300 0.068 0.000 1.091 245 D CA -0.176 53.900 54.000 0.127 0.000 1.123 245 D CB 0.288 41.167 40.800 0.132 0.000 1.407 245 D HN -0.010 nan 8.370 nan 0.000 0.591 246 A N -0.674 122.162 122.820 0.026 0.000 1.940 246 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 246 A C 1.961 179.554 177.584 0.014 0.000 1.176 246 A CA 1.737 53.776 52.037 0.003 0.000 0.631 246 A CB -0.994 17.989 19.000 -0.029 0.000 0.814 246 A HN 0.599 nan 8.150 nan 0.000 0.446 247 Q N -0.551 119.264 119.800 0.024 0.000 2.124 247 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 247 Q C 1.399 177.415 176.000 0.026 0.000 0.977 247 Q CA 1.372 57.187 55.803 0.021 0.000 0.850 247 Q CB -0.247 28.505 28.738 0.023 0.000 0.901 247 Q HN 0.609 nan 8.270 nan 0.000 0.429 248 D N 0.653 121.079 120.400 0.044 0.000 2.117 248 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 248 D C 1.817 178.141 176.300 0.041 0.000 0.987 248 D CA 1.300 55.328 54.000 0.047 0.000 0.829 248 D CB -0.178 40.674 40.800 0.086 0.000 0.961 248 D HN 0.231 nan 8.370 nan 0.000 0.460 249 A N 0.940 123.783 122.820 0.039 0.000 1.908 249 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 249 A C 2.164 179.758 177.584 0.016 0.000 1.181 249 A CA 1.081 53.133 52.037 0.026 0.000 0.627 249 A CB -0.754 18.256 19.000 0.016 0.000 0.818 249 A HN 0.242 nan 8.150 nan 0.000 0.445 250 L N -0.059 121.171 121.223 0.012 0.000 2.083 250 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 250 L C 2.220 179.097 176.870 0.010 0.000 1.083 250 L CA 2.738 57.583 54.840 0.008 0.000 0.752 250 L CB -0.655 41.407 42.059 0.005 0.000 0.899 250 L HN 0.529 nan 8.230 nan 0.000 0.433 251 E N -0.512 119.696 120.200 0.013 0.000 2.077 251 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 251 E C 2.133 178.742 176.600 0.015 0.000 0.989 251 E CA 1.562 57.969 56.400 0.012 0.000 0.800 251 E CB -0.352 29.355 29.700 0.012 0.000 0.746 251 E HN 0.576 nan 8.360 nan 0.000 0.452 252 L N 0.154 121.388 121.223 0.019 0.000 2.093 252 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 252 L C 2.539 179.419 176.870 0.017 0.000 1.085 252 L CA 1.178 56.031 54.840 0.021 0.000 0.755 252 L CB -0.641 41.434 42.059 0.027 0.000 0.904 252 L HN 0.235 nan 8.230 nan 0.000 0.435 253 V N -2.989 116.933 119.914 0.013 0.000 2.453 253 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 253 V C 2.311 178.411 176.094 0.009 0.000 1.048 253 V CA 1.272 63.578 62.300 0.010 0.000 1.049 253 V CB -0.680 31.146 31.823 0.006 0.000 0.672 253 V HN 0.349 nan 8.190 nan 0.000 0.457 254 K N 0.670 121.076 120.400 0.010 0.000 2.097 254 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 254 K C 2.207 178.814 176.600 0.011 0.000 1.049 254 K CA 1.779 58.071 56.287 0.009 0.000 0.933 254 K CB -0.196 32.309 32.500 0.008 0.000 0.717 254 K HN 0.502 nan 8.250 nan 0.000 0.442 255 K N -0.632 119.776 120.400 0.014 0.000 2.400 255 K HA 0.046 4.366 4.320 -0.000 0.000 0.194 255 K C 0.727 177.338 176.600 0.018 0.000 1.033 255 K CA 0.539 56.836 56.287 0.017 0.000 1.021 255 K CB 0.615 33.126 32.500 0.019 0.000 0.808 255 K HN 0.298 nan 8.250 nan 0.000 0.505 256 G N 2.156 110.966 108.800 0.016 0.000 2.273 256 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.280 256 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.280 256 G C 0.655 175.567 174.900 0.020 0.000 1.047 256 G CA 0.747 45.856 45.100 0.016 0.000 0.869 256 G HN 0.265 nan 8.290 nan 0.000 0.502 257 T N -1.438 113.130 114.554 0.024 0.000 2.746 257 T HA 0.191 4.541 4.350 -0.000 0.000 0.267 257 T C 1.564 176.282 174.700 0.030 0.000 1.039 257 T CA 1.895 64.013 62.100 0.031 0.000 1.142 257 T CB -0.115 68.773 68.868 0.033 0.000 0.866 257 T HN 1.581 nan 8.240 nan 0.000 0.444 258 V N -1.695 118.235 119.914 0.025 0.000 3.105 258 V HA 0.562 4.682 4.120 -0.000 0.000 0.311 258 V C -0.356 175.748 176.094 0.017 0.000 1.287 258 V CA -0.917 61.398 62.300 0.024 0.000 1.066 258 V CB 1.871 33.710 31.823 0.027 0.000 1.105 258 V HN -0.139 nan 8.190 nan 0.000 0.462 259 D N -0.326 120.084 120.400 0.017 0.000 2.324 259 D HA 0.288 4.928 4.640 -0.000 0.000 0.212 259 D C 0.292 176.599 176.300 0.011 0.000 0.984 259 D CA 1.128 55.136 54.000 0.013 0.000 0.885 259 D CB 1.465 42.273 40.800 0.014 0.000 0.996 259 D HN 0.379 nan 8.370 nan 0.000 0.505 260 V N 0.914 120.836 119.914 0.012 0.000 3.114 260 V HA 0.443 4.563 4.120 -0.000 0.000 0.308 260 V C -0.717 175.383 176.094 0.009 0.000 1.168 260 V CA -0.822 61.483 62.300 0.008 0.000 1.015 260 V CB 3.271 35.100 31.823 0.009 0.000 1.050 260 V HN -0.112 nan 8.190 nan 0.000 0.433 261 I N 2.369 122.942 120.570 0.004 0.000 2.545 261 I HA 0.402 4.572 4.170 -0.000 0.000 0.292 261 I C -0.674 175.440 176.117 -0.004 0.000 1.040 261 I CA -0.599 60.704 61.300 0.005 0.000 1.068 261 I CB 2.152 40.157 38.000 0.008 0.000 1.251 261 I HN 0.595 nan 8.210 nan 0.000 0.424 262 N N 7.397 126.093 118.700 -0.007 0.000 2.422 262 N HA 0.399 5.139 4.740 -0.000 0.000 0.264 262 N C -1.070 174.420 175.510 -0.033 0.000 1.063 262 N CA -0.101 52.937 53.050 -0.021 0.000 0.959 262 N CB 0.896 39.368 38.487 -0.025 0.000 1.087 262 N HN 0.475 nan 8.380 nan 0.000 0.483 263 I N 2.988 123.534 120.570 -0.040 0.000 2.359 263 I HA 0.285 4.455 4.170 -0.000 0.000 0.294 263 I C 0.234 176.310 176.117 -0.069 0.000 0.987 263 I CA -0.541 60.729 61.300 -0.051 0.000 1.225 263 I CB 1.170 39.144 38.000 -0.043 0.000 1.366 263 I HN 0.231 nan 8.210 nan 0.000 0.466 264 K N 6.121 126.464 120.400 -0.093 0.000 2.471 264 K HA 0.417 4.737 4.320 -0.000 0.000 0.252 264 K C 0.467 177.008 176.600 -0.098 0.000 0.938 264 K CA -0.693 55.531 56.287 -0.105 0.000 0.796 264 K CB 2.605 35.018 32.500 -0.145 0.000 1.161 264 K HN 0.540 nan 8.250 nan 0.000 0.425 265 L N 1.806 122.985 121.223 -0.074 0.000 2.127 265 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 265 L C 1.774 178.610 176.870 -0.057 0.000 1.089 265 L CA 1.167 55.975 54.840 -0.053 0.000 0.757 265 L CB -0.248 41.789 42.059 -0.038 0.000 0.899 265 L HN 0.682 nan 8.230 nan 0.000 0.434 266 M N -0.715 118.834 119.600 -0.085 0.000 2.562 266 M HA -0.087 4.393 4.480 -0.000 0.000 0.257 266 M C 1.879 178.092 176.300 -0.144 0.000 1.099 266 M CA 1.327 56.570 55.300 -0.096 0.000 1.099 266 M CB -0.652 31.888 32.600 -0.099 0.000 1.427 266 M HN 0.203 nan 8.290 nan 0.000 0.489 267 K N -0.407 119.870 120.400 -0.204 0.000 2.202 267 K HA 0.011 4.331 4.320 -0.000 0.000 0.201 267 K C 1.880 178.419 176.600 -0.102 0.000 1.051 267 K CA 1.165 57.235 56.287 -0.362 0.000 0.977 267 K CB 0.265 32.393 32.500 -0.620 0.000 0.792 267 K HN 0.495 nan 8.250 nan 0.000 0.469 268 C N -1.069 118.201 119.300 -0.050 0.000 2.799 268 C HA 0.431 4.891 4.460 -0.000 0.000 0.267 268 C C 1.341 176.355 174.990 0.041 0.000 1.257 268 C CA -0.115 58.919 59.018 0.028 0.000 1.702 268 C CB -0.542 27.197 27.740 -0.002 0.000 1.934 268 C HN 0.578 nan 8.230 nan 0.000 0.594 269 G N 0.014 108.832 108.800 0.030 0.000 2.142 269 G HA2 0.411 4.371 3.960 -0.000 0.000 0.225 269 G HA3 0.411 4.371 3.960 -0.000 0.000 0.225 269 G C 0.580 175.567 174.900 0.145 0.000 1.015 269 G CA 0.228 45.376 45.100 0.080 0.000 0.716 269 G HN 2.488 nan 8.290 nan 0.000 0.508 270 G N -1.804 107.047 108.800 0.085 0.000 2.355 270 G HA2 0.231 4.191 3.960 -0.000 0.000 0.619 270 G HA3 0.231 4.191 3.960 -0.000 0.000 0.619 270 G C 0.677 175.605 174.900 0.048 0.000 1.337 270 G CA -0.142 45.027 45.100 0.114 0.000 0.993 270 G HN 0.822 nan 8.290 nan 0.000 0.599 271 I N -0.466 120.102 120.570 -0.003 0.000 2.226 271 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 271 I C 2.411 178.475 176.117 -0.088 0.000 1.100 271 I CA 1.963 63.148 61.300 -0.191 0.000 1.374 271 I CB -0.296 37.310 38.000 -0.658 0.000 1.057 271 I HN 0.716 nan 8.210 nan 0.000 0.413 272 H N 1.056 120.141 119.070 0.025 0.000 2.319 272 H HA -0.261 4.295 4.556 -0.000 0.000 0.297 272 H C 2.076 177.363 175.328 -0.068 0.000 1.097 272 H CA 2.317 58.404 56.048 0.064 0.000 1.285 272 H CB -0.009 29.797 29.762 0.072 0.000 1.368 272 H HN 0.259 nan 8.280 nan 0.000 0.495 273 E N -0.097 120.010 120.200 -0.154 0.000 2.107 273 E HA 0.002 4.352 4.350 -0.000 0.000 0.191 273 E C 2.260 178.787 176.600 -0.122 0.000 0.982 273 E CA 1.051 57.338 56.400 -0.188 0.000 0.809 273 E CB -0.470 29.162 29.700 -0.113 0.000 0.756 273 E HN 0.521 nan 8.360 nan 0.000 0.459 274 A N 0.554 123.323 122.820 -0.086 0.000 1.940 274 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 274 A C 2.225 179.761 177.584 -0.080 0.000 1.176 274 A CA 1.393 53.386 52.037 -0.073 0.000 0.631 274 A CB -0.753 18.204 19.000 -0.071 0.000 0.814 274 A HN 0.348 nan 8.150 nan 0.000 0.446 275 L N -0.750 120.415 121.223 -0.097 0.000 2.083 275 L HA -0.224 4.116 4.340 -0.000 0.000 0.209 275 L C 2.581 179.400 176.870 -0.086 0.000 1.083 275 L CA 1.761 56.552 54.840 -0.080 0.000 0.752 275 L CB -0.410 41.611 42.059 -0.063 0.000 0.899 275 L HN 0.376 nan 8.230 nan 0.000 0.433 276 K N 0.205 120.530 120.400 -0.126 0.000 2.026 276 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 276 K C 2.064 178.623 176.600 -0.069 0.000 1.048 276 K CA 1.323 57.543 56.287 -0.111 0.000 0.929 276 K CB -0.245 32.165 32.500 -0.151 0.000 0.713 276 K HN 0.215 nan 8.250 nan 0.000 0.439 277 I N 1.657 122.190 120.570 -0.061 0.000 2.127 277 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 277 I C 2.340 178.437 176.117 -0.033 0.000 1.075 277 I CA 1.348 62.626 61.300 -0.036 0.000 1.334 277 I CB -0.447 37.537 38.000 -0.028 0.000 1.040 277 I HN 0.227 nan 8.210 nan 0.000 0.405 278 N N 0.659 119.335 118.700 -0.041 0.000 2.149 278 N HA -0.222 4.518 4.740 -0.000 0.000 0.188 278 N C 1.882 177.370 175.510 -0.037 0.000 1.019 278 N CA 1.529 54.556 53.050 -0.038 0.000 0.857 278 N CB -0.025 38.436 38.487 -0.043 0.000 0.997 278 N HN 0.354 nan 8.380 nan 0.000 0.426 279 Q N -0.247 119.531 119.800 -0.038 0.000 2.079 279 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 279 Q C 2.187 178.172 176.000 -0.026 0.000 0.974 279 Q CA 1.169 56.953 55.803 -0.032 0.000 0.840 279 Q CB -0.071 28.648 28.738 -0.031 0.000 0.898 279 Q HN 0.520 nan 8.270 nan 0.000 0.430 280 I N 0.359 120.914 120.570 -0.025 0.000 2.163 280 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 280 I C 2.500 178.608 176.117 -0.015 0.000 1.085 280 I CA 0.902 62.191 61.300 -0.018 0.000 1.347 280 I CB -0.383 37.608 38.000 -0.015 0.000 1.044 280 I HN 0.280 nan 8.210 nan 0.000 0.408 281 C N 0.280 119.570 119.300 -0.016 0.000 2.432 281 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 281 C C 2.793 177.772 174.990 -0.018 0.000 1.249 281 C CA 0.937 59.947 59.018 -0.014 0.000 1.725 281 C CB -1.013 26.718 27.740 -0.015 0.000 2.028 281 C HN 0.529 nan 8.230 nan 0.000 0.477 282 E N 0.624 120.809 120.200 -0.025 0.000 2.049 282 E HA -0.245 4.105 4.350 -0.000 0.000 0.198 282 E C 1.933 178.520 176.600 -0.023 0.000 1.007 282 E CA 1.992 58.373 56.400 -0.030 0.000 0.809 282 E CB -0.168 29.507 29.700 -0.041 0.000 0.749 282 E HN 0.585 nan 8.360 nan 0.000 0.450 283 T N 0.184 114.727 114.554 -0.019 0.000 2.833 283 T HA -0.088 4.262 4.350 -0.000 0.000 0.269 283 T C 1.579 176.273 174.700 -0.009 0.000 1.054 283 T CA 1.164 63.256 62.100 -0.013 0.000 1.135 283 T CB -0.125 68.736 68.868 -0.011 0.000 0.869 283 T HN 0.301 nan 8.240 nan 0.000 0.466 284 A N 0.207 123.022 122.820 -0.009 0.000 2.251 284 A HA 0.538 4.858 4.320 -0.000 0.000 0.209 284 A C 1.814 179.395 177.584 -0.005 0.000 1.187 284 A CA 0.668 52.702 52.037 -0.005 0.000 0.823 284 A CB -0.554 18.445 19.000 -0.003 0.000 0.846 284 A HN 0.696 nan 8.150 nan 0.000 0.486 285 G N -0.729 108.066 108.800 -0.009 0.000 2.137 285 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.237 285 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.237 285 G C -0.168 174.727 174.900 -0.007 0.000 1.002 285 G CA 0.201 45.296 45.100 -0.008 0.000 0.702 285 G HN 0.309 nan 8.290 nan 0.000 0.515 286 I N 1.189 121.753 120.570 -0.009 0.000 2.339 286 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 286 I C 0.658 176.768 176.117 -0.012 0.000 0.994 286 I CA -0.979 60.317 61.300 -0.006 0.000 1.191 286 I CB 1.132 39.130 38.000 -0.003 0.000 1.343 286 I HN 0.202 nan 8.210 nan 0.000 0.458 287 E N 4.146 124.339 120.200 -0.011 0.000 2.349 287 E HA 0.386 4.736 4.350 -0.000 0.000 0.262 287 E C -0.883 175.709 176.600 -0.013 0.000 1.088 287 E CA -0.318 56.072 56.400 -0.016 0.000 0.899 287 E CB 1.412 31.105 29.700 -0.011 0.000 1.044 287 E HN 0.520 nan 8.360 nan 0.000 0.420 288 C N 1.662 120.951 119.300 -0.018 0.000 2.614 288 C HA 0.562 5.022 4.460 -0.000 0.000 0.320 288 C C -0.282 174.699 174.990 -0.015 0.000 1.200 288 C CA -0.720 58.288 59.018 -0.017 0.000 1.700 288 C CB 1.008 28.734 27.740 -0.023 0.000 2.275 288 C HN 0.733 nan 8.230 nan 0.000 0.492 289 M N 2.750 122.341 119.600 -0.014 0.000 2.321 289 M HA 0.623 5.103 4.480 -0.000 0.000 0.315 289 M C -1.128 175.159 176.300 -0.022 0.000 1.052 289 M CA -0.522 54.770 55.300 -0.013 0.000 0.936 289 M CB 1.034 33.629 32.600 -0.008 0.000 1.639 289 M HN 0.730 nan 8.290 nan 0.000 0.433 290 I N 4.466 125.023 120.570 -0.023 0.000 2.441 290 I HA 0.622 4.792 4.170 -0.000 0.000 0.287 290 I C 0.130 176.222 176.117 -0.041 0.000 1.049 290 I CA 0.562 61.842 61.300 -0.033 0.000 1.381 290 I CB 1.027 39.011 38.000 -0.028 0.000 1.409 290 I HN 0.765 nan 8.210 nan 0.000 0.523 291 G N 5.551 114.318 108.800 -0.055 0.000 3.175 291 G HA2 0.750 4.710 3.960 -0.000 0.000 0.255 291 G HA3 0.750 4.710 3.960 -0.000 0.000 0.255 291 G C -1.337 173.513 174.900 -0.083 0.000 1.352 291 G CA -0.098 44.962 45.100 -0.067 0.000 1.037 291 G HN 1.012 nan 8.290 nan 0.000 0.556 292 C N -2.245 116.998 119.300 -0.096 0.000 3.312 292 C HA 0.801 5.261 4.460 -0.000 0.000 0.332 292 C C -0.627 174.300 174.990 -0.105 0.000 1.340 292 C CA -1.236 57.719 59.018 -0.106 0.000 1.265 292 C CB 0.884 28.547 27.740 -0.127 0.000 1.563 292 C HN 0.669 nan 8.230 nan 0.000 0.471 293 M N 1.947 121.484 119.600 -0.104 0.000 2.409 293 M HA 0.455 4.935 4.480 -0.000 0.000 0.329 293 M C 1.210 177.442 176.300 -0.115 0.000 1.180 293 M CA -0.161 55.082 55.300 -0.096 0.000 1.053 293 M CB 1.291 33.832 32.600 -0.099 0.000 1.586 293 M HN 1.075 nan 8.290 nan 0.000 0.461 294 A N 1.488 124.243 122.820 -0.107 0.000 2.121 294 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 294 A C 1.569 179.085 177.584 -0.114 0.000 1.154 294 A CA 1.308 53.265 52.037 -0.134 0.000 0.679 294 A CB -0.407 18.528 19.000 -0.109 0.000 0.795 294 A HN 0.871 nan 8.150 nan 0.000 0.458 295 E N 0.608 120.744 120.200 -0.106 0.000 2.482 295 E HA 0.022 4.372 4.350 -0.000 0.000 0.196 295 E C 0.266 176.819 176.600 -0.079 0.000 1.047 295 E CA 0.235 56.580 56.400 -0.093 0.000 0.869 295 E CB 0.080 29.716 29.700 -0.106 0.000 0.836 295 E HN 0.710 nan 8.360 nan 0.000 0.520 296 E N 0.194 120.341 120.200 -0.088 0.000 2.349 296 E HA 0.243 4.593 4.350 -0.000 0.000 0.262 296 E C 0.341 176.896 176.600 -0.075 0.000 1.088 296 E CA 0.045 56.400 56.400 -0.075 0.000 0.899 296 E CB 1.272 30.924 29.700 -0.081 0.000 1.044 296 E HN 0.123 nan 8.360 nan 0.000 0.420 297 T N -2.310 112.212 114.554 -0.054 0.000 2.551 297 T HA 0.159 4.509 4.350 -0.000 0.000 0.249 297 T C 1.324 176.001 174.700 -0.039 0.000 0.851 297 T CA -0.197 61.874 62.100 -0.047 0.000 1.149 297 T CB 0.251 69.101 68.868 -0.030 0.000 1.456 297 T HN 0.310 nan 8.240 nan 0.000 0.514 298 T N 1.459 115.997 114.554 -0.026 0.000 2.620 298 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 298 T C 1.953 176.644 174.700 -0.015 0.000 1.044 298 T CA 2.262 64.350 62.100 -0.020 0.000 1.161 298 T CB -0.847 68.003 68.868 -0.030 0.000 0.862 298 T HN 0.497 nan 8.240 nan 0.000 0.438 299 I N 1.140 121.702 120.570 -0.014 0.000 2.142 299 I HA -0.104 4.066 4.170 -0.000 0.000 0.240 299 I C 3.017 179.140 176.117 0.010 0.000 1.078 299 I CA 1.498 62.801 61.300 0.005 0.000 1.343 299 I CB -0.940 37.081 38.000 0.035 0.000 1.046 299 I HN 0.348 nan 8.210 nan 0.000 0.405 300 G N 1.343 110.141 108.800 -0.003 0.000 2.418 300 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 300 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 300 G C 1.608 176.497 174.900 -0.017 0.000 1.158 300 G CA 0.506 45.599 45.100 -0.013 0.000 0.771 300 G HN 0.191 nan 8.290 nan 0.000 0.545 301 I N 1.398 121.951 120.570 -0.028 0.000 2.315 301 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 301 I C 2.874 179.000 176.117 0.015 0.000 1.117 301 I CA 1.369 62.649 61.300 -0.033 0.000 1.404 301 I CB -1.450 36.512 38.000 -0.064 0.000 1.071 301 I HN 0.111 nan 8.210 nan 0.000 0.419 302 T N 1.360 115.940 114.554 0.044 0.000 2.777 302 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 302 T C 2.080 176.892 174.700 0.188 0.000 1.040 302 T CA 1.509 63.684 62.100 0.125 0.000 1.141 302 T CB -0.257 68.676 68.868 0.108 0.000 0.868 302 T HN 0.431 nan 8.240 nan 0.000 0.444 303 A N 1.501 124.372 122.820 0.086 0.000 1.902 303 A HA 0.124 4.444 4.320 -0.000 0.000 0.217 303 A C 2.638 180.263 177.584 0.068 0.000 1.181 303 A CA 1.880 53.951 52.037 0.057 0.000 0.623 303 A CB -1.111 17.894 19.000 0.009 0.000 0.818 303 A HN 0.507 nan 8.150 nan 0.000 0.443 304 A N -0.269 122.572 122.820 0.034 0.000 1.933 304 A HA 0.182 4.502 4.320 -0.000 0.000 0.218 304 A C 2.474 180.076 177.584 0.030 0.000 1.175 304 A CA 2.002 54.045 52.037 0.010 0.000 0.628 304 A CB -0.910 18.078 19.000 -0.020 0.000 0.814 304 A HN 1.030 nan 8.150 nan 0.000 0.444 305 A N -1.190 121.660 122.820 0.050 0.000 1.898 305 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 305 A C 2.055 179.646 177.584 0.012 0.000 1.181 305 A CA 1.454 53.500 52.037 0.014 0.000 0.620 305 A CB -0.931 18.066 19.000 -0.005 0.000 0.819 305 A HN 0.684 nan 8.150 nan 0.000 0.442 306 H N -1.193 117.903 119.070 0.044 0.000 2.353 306 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 306 H C 2.149 177.526 175.328 0.082 0.000 1.090 306 H CA 1.847 57.958 56.048 0.105 0.000 1.327 306 H CB -0.211 29.622 29.762 0.117 0.000 1.383 306 H HN 0.439 nan 8.280 nan 0.000 0.508 307 L N 1.078 122.384 121.223 0.139 0.000 2.017 307 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 307 L C 2.621 179.515 176.870 0.041 0.000 1.073 307 L CA 1.943 56.815 54.840 0.053 0.000 0.745 307 L CB -0.872 41.179 42.059 -0.014 0.000 0.894 307 L HN 0.149 nan 8.230 nan 0.000 0.432 308 A N -0.376 122.458 122.820 0.024 0.000 1.902 308 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 308 A C 2.455 180.052 177.584 0.022 0.000 1.181 308 A CA 1.995 54.038 52.037 0.010 0.000 0.623 308 A CB -1.286 17.712 19.000 -0.002 0.000 0.818 308 A HN 0.615 nan 8.150 nan 0.000 0.443 309 A N -0.282 122.545 122.820 0.011 0.000 1.933 309 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 309 A C 2.447 180.085 177.584 0.089 0.000 1.175 309 A CA 2.006 54.041 52.037 -0.003 0.000 0.628 309 A CB -0.892 18.025 19.000 -0.139 0.000 0.814 309 A HN 1.079 nan 8.150 nan 0.000 0.444 310 A N -1.685 121.215 122.820 0.133 0.000 2.015 310 A HA 0.021 4.341 4.320 -0.000 0.000 0.219 310 A C 1.132 178.803 177.584 0.145 0.000 1.163 310 A CA 0.724 52.875 52.037 0.189 0.000 0.646 310 A CB -0.063 19.051 19.000 0.189 0.000 0.806 310 A HN 0.455 nan 8.150 nan 0.000 0.448 311 Q N -0.424 119.414 119.800 0.064 0.000 2.325 311 Q HA 0.222 4.562 4.340 -0.000 0.000 0.262 311 Q C 0.431 176.355 176.000 -0.127 0.000 0.968 311 Q CA -0.235 55.551 55.803 -0.028 0.000 0.877 311 Q CB 1.790 30.509 28.738 -0.033 0.000 1.253 311 Q HN 0.560 nan 8.270 nan 0.000 0.448 312 K N 2.944 123.114 120.400 -0.384 0.000 2.063 312 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 312 K C 1.144 177.578 176.600 -0.277 0.000 1.048 312 K CA 1.747 57.651 56.287 -0.639 0.000 0.928 312 K CB 0.257 32.065 32.500 -1.152 0.000 0.713 312 K HN 0.385 nan 8.250 nan 0.000 0.442 313 N N 0.505 119.088 118.700 -0.195 0.000 2.453 313 N HA -0.038 4.702 4.740 -0.000 0.000 0.183 313 N C -0.065 175.404 175.510 -0.069 0.000 1.041 313 N CA 0.429 53.413 53.050 -0.110 0.000 0.900 313 N CB 0.064 38.499 38.487 -0.086 0.000 0.961 313 N HN 0.172 nan 8.380 nan 0.000 0.443 314 I N 1.161 121.693 120.570 -0.063 0.000 2.260 314 I HA 0.037 4.207 4.170 -0.000 0.000 0.297 314 I C 0.975 177.079 176.117 -0.022 0.000 1.143 314 I CA -0.112 61.167 61.300 -0.035 0.000 1.271 314 I CB 0.541 38.525 38.000 -0.026 0.000 1.461 314 I HN 0.176 nan 8.210 nan 0.000 0.530 315 T N 2.265 116.809 114.554 -0.016 0.000 3.081 315 T HA 0.239 4.589 4.350 -0.000 0.000 0.250 315 T C 0.892 175.599 174.700 0.011 0.000 1.100 315 T CA 0.033 62.133 62.100 -0.000 0.000 1.038 315 T CB 0.233 69.100 68.868 -0.001 0.000 0.962 315 T HN 0.406 nan 8.240 nan 0.000 0.516 316 R N 0.070 120.574 120.500 0.008 0.000 2.867 316 R HA 0.824 5.164 4.340 -0.000 0.000 0.268 316 R C -1.578 174.728 176.300 0.010 0.000 1.014 316 R CA -0.919 55.190 56.100 0.015 0.000 0.946 316 R CB 2.278 32.586 30.300 0.014 0.000 1.208 316 R HN 0.230 nan 8.270 nan 0.000 0.477 317 A N 0.883 123.714 122.820 0.018 0.000 2.459 317 A HA 0.382 4.702 4.320 -0.000 0.000 0.296 317 A C -1.735 175.858 177.584 0.016 0.000 1.039 317 A CA -0.587 51.457 52.037 0.011 0.000 0.698 317 A CB 1.697 20.706 19.000 0.016 0.000 1.261 317 A HN 0.701 nan 8.150 nan 0.000 0.405 318 D N 2.490 122.881 120.400 -0.014 0.000 2.441 318 D HA 0.446 5.086 4.640 -0.000 0.000 0.287 318 D C -1.168 175.080 176.300 -0.087 0.000 1.198 318 D CA 0.062 54.040 54.000 -0.036 0.000 0.894 318 D CB 0.052 40.827 40.800 -0.041 0.000 1.070 318 D HN 0.331 nan 8.370 nan 0.000 0.499 319 L N 2.954 124.118 121.223 -0.098 0.000 2.581 319 L HA 0.371 4.711 4.340 -0.000 0.000 0.241 319 L C 0.023 176.668 176.870 -0.376 0.000 1.265 319 L CA -0.386 54.351 54.840 -0.172 0.000 0.954 319 L CB 0.948 42.949 42.059 -0.096 0.000 1.269 319 L HN 0.216 nan 8.230 nan 0.000 0.475 320 D N -0.058 120.024 120.400 -0.531 0.000 2.479 320 D HA 0.074 4.714 4.640 -0.000 0.000 0.218 320 D C 1.462 177.209 176.300 -0.921 0.000 1.177 320 D CA 0.087 53.415 54.000 -1.120 0.000 0.830 320 D CB 0.673 41.075 40.800 -0.663 0.000 1.014 320 D HN 0.249 nan 8.370 nan 0.000 0.503 321 A N 1.160 123.657 122.820 -0.539 0.000 1.972 321 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 321 A C 2.287 179.704 177.584 -0.279 0.000 1.169 321 A CA 2.265 54.087 52.037 -0.360 0.000 0.635 321 A CB -1.093 17.764 19.000 -0.238 0.000 0.810 321 A HN 0.416 nan 8.150 nan 0.000 0.446 322 T N -3.341 111.041 114.554 -0.287 0.000 2.951 322 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 322 T C 1.511 176.283 174.700 0.120 0.000 1.073 322 T CA 1.067 63.129 62.100 -0.064 0.000 1.134 322 T CB -0.580 68.300 68.868 0.019 0.000 0.884 322 T HN 0.226 nan 8.240 nan 0.000 0.479 323 F N 2.612 122.545 119.950 -0.029 0.000 2.154 323 F HA 0.170 4.697 4.527 -0.000 0.000 0.301 323 F C 2.626 178.423 175.800 -0.004 0.000 1.087 323 F CA 0.435 58.431 58.000 -0.006 0.000 1.274 323 F CB -1.458 37.535 39.000 -0.011 0.000 1.009 323 F HN 0.424 nan 8.300 nan 0.000 0.485 324 G N -0.270 108.611 108.800 0.135 0.000 3.042 324 G HA2 0.180 4.140 3.960 -0.000 0.000 0.212 324 G HA3 0.180 4.140 3.960 -0.000 0.000 0.212 324 G C 0.654 175.596 174.900 0.069 0.000 1.166 324 G CA -0.253 44.906 45.100 0.100 0.000 0.767 324 G HN 0.116 nan 8.290 nan 0.000 0.546 325 L N 0.730 121.984 121.223 0.051 0.000 2.453 325 L HA 0.160 4.500 4.340 -0.000 0.000 0.272 325 L C 1.389 178.286 176.870 0.044 0.000 1.182 325 L CA -0.203 54.658 54.840 0.035 0.000 0.858 325 L CB 0.936 43.008 42.059 0.021 0.000 1.120 325 L HN 0.179 nan 8.230 nan 0.000 0.474 326 E N 0.536 120.757 120.200 0.035 0.000 2.152 326 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 326 E C 0.501 177.117 176.600 0.027 0.000 0.983 326 E CA 0.933 57.352 56.400 0.033 0.000 0.818 326 E CB 0.372 30.088 29.700 0.027 0.000 0.758 326 E HN 0.684 nan 8.360 nan 0.000 0.467 327 T N -1.463 113.104 114.554 0.022 0.000 2.816 327 T HA 0.589 4.939 4.350 -0.000 0.000 0.299 327 T C -1.931 172.776 174.700 0.012 0.000 1.230 327 T CA -0.553 61.557 62.100 0.016 0.000 1.007 327 T CB 1.675 70.550 68.868 0.011 0.000 1.289 327 T HN -0.006 nan 8.240 nan 0.000 0.508 328 A N 2.954 125.779 122.820 0.007 0.000 2.304 328 A HA 0.712 5.032 4.320 -0.000 0.000 0.323 328 A C -1.575 176.004 177.584 -0.008 0.000 1.195 328 A CA -1.493 50.543 52.037 -0.001 0.000 0.826 328 A CB 0.909 19.907 19.000 -0.002 0.000 1.184 328 A HN 0.721 nan 8.150 nan 0.000 0.496 329 P HA 0.089 nan 4.420 nan 0.000 0.241 329 P C 0.156 177.442 177.300 -0.023 0.000 1.191 329 P CA 0.703 63.798 63.100 -0.009 0.000 0.771 329 P CB 0.257 31.956 31.700 -0.001 0.000 0.929 330 V N -1.442 118.440 119.914 -0.053 0.000 3.202 330 V HA 0.430 4.550 4.120 -0.000 0.000 0.306 330 V C -1.099 174.932 176.094 -0.105 0.000 1.283 330 V CA -0.568 61.666 62.300 -0.110 0.000 1.065 330 V CB 2.169 33.862 31.823 -0.216 0.000 1.079 330 V HN -0.161 nan 8.190 nan 0.000 0.448 331 T N 2.114 116.585 114.554 -0.137 0.000 2.867 331 T HA 0.742 5.092 4.350 -0.000 0.000 0.282 331 T C 0.111 174.750 174.700 -0.102 0.000 1.000 331 T CA 0.739 62.783 62.100 -0.093 0.000 1.042 331 T CB 0.909 69.736 68.868 -0.067 0.000 0.973 331 T HN 1.915 nan 8.240 nan 0.000 0.465 332 G N 1.433 110.201 108.800 -0.054 0.000 2.632 332 G HA2 0.335 4.295 3.960 -0.000 0.000 0.224 332 G HA3 0.335 4.295 3.960 -0.000 0.000 0.224 332 G C 0.334 175.220 174.900 -0.022 0.000 1.341 332 G CA -0.301 44.779 45.100 -0.033 0.000 0.880 332 G HN 1.892 nan 8.290 nan 0.000 0.566 333 G N -2.473 106.334 108.800 0.011 0.000 2.697 333 G HA2 0.171 4.131 3.960 -0.000 0.000 0.240 333 G HA3 0.171 4.131 3.960 -0.000 0.000 0.240 333 G C 0.386 175.315 174.900 0.048 0.000 1.346 333 G CA 0.499 45.626 45.100 0.044 0.000 0.887 333 G HN 2.076 nan 8.290 nan 0.000 0.569 334 V N 1.611 121.559 119.914 0.057 0.000 2.540 334 V HA 0.402 4.522 4.120 -0.000 0.000 0.297 334 V C 1.494 177.623 176.094 0.059 0.000 1.024 334 V CA 0.658 62.993 62.300 0.058 0.000 1.105 334 V CB 0.587 32.444 31.823 0.056 0.000 0.938 334 V HN 1.536 nan 8.190 nan 0.000 0.482 335 S N 5.285 121.028 115.700 0.072 0.000 2.624 335 S HA 0.301 4.771 4.470 -0.000 0.000 0.263 335 S C 0.708 175.383 174.600 0.124 0.000 1.287 335 S CA -0.611 57.633 58.200 0.072 0.000 0.990 335 S CB 0.782 64.014 63.200 0.052 0.000 0.950 335 S HN 0.382 nan 8.310 nan 0.000 0.561 336 L N 0.628 121.913 121.223 0.103 0.000 2.465 336 L HA 0.200 4.540 4.340 -0.000 0.000 0.224 336 L C 0.917 177.886 176.870 0.164 0.000 1.145 336 L CA 0.978 55.902 54.840 0.140 0.000 0.834 336 L CB -1.443 40.666 42.059 0.083 0.000 0.944 336 L HN 0.723 nan 8.230 nan 0.000 0.451 337 E N 0.158 120.415 120.200 0.095 0.000 2.415 337 E HA 0.174 4.524 4.350 -0.000 0.000 0.263 337 E C 0.432 176.917 176.600 -0.192 0.000 0.995 337 E CA 0.080 56.474 56.400 -0.010 0.000 0.915 337 E CB 0.510 30.195 29.700 -0.026 0.000 0.951 337 E HN 0.237 nan 8.360 nan 0.000 0.449 338 A N 5.359 127.953 122.820 -0.375 0.000 2.671 338 A HA 0.168 4.488 4.320 -0.000 0.000 0.306 338 A C -0.222 177.073 177.584 -0.482 0.000 1.473 338 A CA -0.200 51.287 52.037 -0.917 0.000 1.155 338 A CB -0.428 18.306 19.000 -0.444 0.000 1.123 338 A HN 0.581 nan 8.150 nan 0.000 0.545 339 K N 2.379 122.467 120.400 -0.520 0.000 2.527 339 K HA 0.581 4.901 4.320 -0.000 0.000 0.260 339 K C -2.877 173.472 176.600 -0.418 0.000 0.937 339 K CA -1.767 54.249 56.287 -0.451 0.000 0.826 339 K CB 2.272 34.623 32.500 -0.248 0.000 1.359 339 K HN 0.105 nan 8.250 nan 0.000 0.434 340 P HA -0.104 nan 4.420 nan 0.000 0.220 340 P C 0.300 177.545 177.300 -0.092 0.000 1.152 340 P CA 0.471 63.326 63.100 -0.408 0.000 0.812 340 P CB 0.217 31.572 31.700 -0.575 0.000 0.792 341 L N 1.320 122.467 121.223 -0.126 0.000 2.278 341 L HA 0.237 4.577 4.340 -0.000 0.000 0.287 341 L C -0.336 176.522 176.870 -0.019 0.000 1.072 341 L CA -0.202 54.600 54.840 -0.063 0.000 0.819 341 L CB -0.191 41.818 42.059 -0.084 0.000 1.176 341 L HN -0.172 nan 8.230 nan 0.000 0.435 342 L N 5.894 127.115 121.223 -0.004 0.000 2.335 342 L HA 0.456 4.796 4.340 -0.000 0.000 0.268 342 L C -0.058 176.777 176.870 -0.058 0.000 1.037 342 L CA -0.271 54.570 54.840 0.002 0.000 0.895 342 L CB 0.916 42.992 42.059 0.028 0.000 1.266 342 L HN 0.642 nan 8.230 nan 0.000 0.439 343 E N 3.762 123.923 120.200 -0.065 0.000 2.174 343 E HA 0.433 4.783 4.350 -0.000 0.000 0.282 343 E C -0.911 175.624 176.600 -0.109 0.000 0.992 343 E CA -0.700 55.637 56.400 -0.105 0.000 0.803 343 E CB 1.253 30.904 29.700 -0.081 0.000 1.090 343 E HN 0.482 nan 8.360 nan 0.000 0.396 344 L N 3.719 124.826 121.223 -0.195 0.000 2.349 344 L HA 0.372 4.712 4.340 -0.000 0.000 0.275 344 L C 1.068 177.936 176.870 -0.005 0.000 1.115 344 L CA -0.546 54.199 54.840 -0.158 0.000 0.820 344 L CB 1.028 42.843 42.059 -0.407 0.000 1.135 344 L HN 0.637 nan 8.230 nan 0.000 0.445 345 G N 1.011 109.867 108.800 0.094 0.000 2.553 345 G HA2 0.136 4.096 3.960 -0.000 0.000 0.278 345 G HA3 0.136 4.096 3.960 -0.000 0.000 0.278 345 G C 0.433 175.457 174.900 0.206 0.000 1.349 345 G CA -0.304 44.867 45.100 0.119 0.000 1.037 345 G HN 0.657 nan 8.290 nan 0.000 0.508 346 E N -0.411 119.878 120.200 0.148 0.000 2.474 346 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 346 E C 1.467 178.126 176.600 0.099 0.000 1.039 346 E CA -0.073 56.411 56.400 0.140 0.000 0.881 346 E CB 0.294 30.051 29.700 0.096 0.000 0.970 346 E HN 0.492 nan 8.360 nan 0.000 0.486 347 A N 1.393 124.273 122.820 0.100 0.000 2.520 347 A HA 0.369 4.689 4.320 -0.000 0.000 0.235 347 A C 0.624 178.246 177.584 0.063 0.000 1.065 347 A CA 0.402 52.481 52.037 0.071 0.000 0.764 347 A CB 0.228 19.268 19.000 0.066 0.000 1.002 347 A HN 0.167 nan 8.150 nan 0.000 0.502 348 A N 1.604 124.445 122.820 0.035 0.000 2.425 348 A HA 0.570 4.890 4.320 -0.000 0.000 0.242 348 A C 1.562 179.145 177.584 -0.001 0.000 1.077 348 A CA 0.775 52.820 52.037 0.014 0.000 0.781 348 A CB -0.718 18.291 19.000 0.015 0.000 1.020 348 A HN 2.910 nan 8.150 nan 0.000 0.494 349 G N -0.312 108.467 108.800 -0.035 0.000 2.583 349 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.292 349 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.292 349 G C 0.715 175.503 174.900 -0.186 0.000 1.203 349 G CA 0.598 45.652 45.100 -0.078 0.000 0.987 349 G HN 1.189 nan 8.290 nan 0.000 0.554 350 L N 2.223 123.356 121.223 -0.149 0.000 2.558 350 L HA 0.366 4.706 4.340 -0.000 0.000 0.225 350 L C 2.310 179.163 176.870 -0.028 0.000 1.128 350 L CA 0.891 55.615 54.840 -0.192 0.000 0.868 350 L CB -0.414 41.595 42.059 -0.083 0.000 1.006 350 L HN 1.926 nan 8.230 nan 0.000 0.454 351 G N 1.367 110.170 108.800 0.004 0.000 2.225 351 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.267 351 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.267 351 G C 0.113 175.007 174.900 -0.009 0.000 1.024 351 G CA 0.161 45.282 45.100 0.034 0.000 0.784 351 G HN 0.330 nan 8.290 nan 0.000 0.507 352 I N 0.723 121.258 120.570 -0.058 0.000 2.460 352 I HA 0.645 4.815 4.170 -0.000 0.000 0.298 352 I C 0.690 176.638 176.117 -0.281 0.000 0.989 352 I CA -0.182 60.992 61.300 -0.210 0.000 1.173 352 I CB 2.022 39.824 38.000 -0.330 0.000 1.338 352 I HN 0.376 nan 8.210 nan 0.000 0.456 353 S N 0.000 115.499 115.700 -0.334 0.000 2.498 353 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 353 S CA 0.000 58.095 58.200 -0.175 0.000 1.107 353 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 353 S HN 0.000 nan 8.310 nan 0.000 0.517