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 1ezv_1_A DATA FIRST_RESID 27 DATA SEQUENCE AEVTQLSNGI VVATEHNPAH TASVGVVFGS GAANENPYNN GVSNLWKNIF DATA SEQUENCE LSKENSAVAA KEGLALSSNI SRDFQSYIVS SLPGSTDKSL DFLNQSFIQQ DATA SEQUENCE KANLLSSSNF EATKKSVLKQ VQDFEDNDHP NRVLEHLHST AFQNTPLSLP DATA SEQUENCE TRGTLESLEN LVVADLESFA NNHFLNSNAV VVGTGNIKHE DLVNSIESKN DATA SEQUENCE LSLQTGTKPV LKKKAAFLGS EVRLRDDTLP KAWISLAVEG EPVNSPNYFV DATA SEQUENCE AKLAAQIFGS YNAFEPASRL QGIKLLDNIQ EYQLCDNFNH FSLSYKDSGL DATA SEQUENCE WGFSTATRNV TMIDDLIHFT LKQWNRLTIS VTDTEVERAK SLLKLQLGQL DATA SEQUENCE YESGNPVNDA NLLGAEVLIK GSKLSLGEAF KKIDAITVKD VKAWAGKRLW DATA SEQUENCE DQDIAIAGTG QIEGLLDYMR IRSDMSMMRW 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.515 177.584 -0.115 0.000 1.274 27 A CA 0.000 51.978 52.037 -0.099 0.000 0.836 27 A CB 0.000 18.948 19.000 -0.087 0.000 0.831 28 E N -0.227 119.899 120.200 -0.124 0.000 2.393 28 E HA 0.773 5.123 4.350 -0.000 0.000 0.273 28 E C -1.091 175.450 176.600 -0.099 0.000 0.918 28 E CA -0.699 55.628 56.400 -0.121 0.000 0.773 28 E CB 2.842 32.441 29.700 -0.170 0.000 1.275 28 E HN 0.564 nan 8.360 nan 0.000 0.451 29 V N 1.938 121.795 119.914 -0.096 0.000 2.658 29 V HA 0.255 4.375 4.120 -0.000 0.000 0.259 29 V C -1.059 174.953 176.094 -0.136 0.000 0.933 29 V CA -0.821 61.417 62.300 -0.104 0.000 0.871 29 V CB 1.180 32.954 31.823 -0.081 0.000 1.062 29 V HN 0.786 nan 8.190 nan 0.000 0.479 30 T N 0.754 115.187 114.554 -0.202 0.000 2.801 30 T HA 0.567 4.917 4.350 -0.000 0.000 0.306 30 T C -0.500 173.897 174.700 -0.504 0.000 1.020 30 T CA -0.481 61.404 62.100 -0.360 0.000 0.948 30 T CB 1.693 70.283 68.868 -0.463 0.000 0.962 30 T HN 0.508 nan 8.240 nan 0.000 0.465 31 Q N 4.135 123.757 119.800 -0.297 0.000 2.325 31 Q HA 0.585 4.925 4.340 -0.000 0.000 0.270 31 Q C -1.841 174.120 176.000 -0.065 0.000 1.020 31 Q CA -0.737 54.964 55.803 -0.170 0.000 0.785 31 Q CB 1.401 30.076 28.738 -0.104 0.000 1.259 31 Q HN 0.789 nan 8.270 nan 0.000 0.452 32 L N 1.838 123.093 121.223 0.055 0.000 2.445 32 L HA 0.449 4.789 4.340 -0.000 0.000 0.262 32 L C -0.563 176.353 176.870 0.076 0.000 0.974 32 L CA -0.748 54.152 54.840 0.100 0.000 0.822 32 L CB 2.447 44.634 42.059 0.214 0.000 1.339 32 L HN 0.590 nan 8.230 nan 0.000 0.409 33 S N 1.356 117.078 115.700 0.037 0.000 2.433 33 S HA 0.452 4.922 4.470 -0.000 0.000 0.310 33 S C -0.174 174.432 174.600 0.009 0.000 1.097 33 S CA -0.468 57.742 58.200 0.016 0.000 1.103 33 S CB 0.950 64.154 63.200 0.006 0.000 0.992 33 S HN 0.729 nan 8.310 nan 0.000 0.469 34 N N 3.494 122.195 118.700 0.000 0.000 2.218 34 N HA 0.320 5.060 4.740 -0.000 0.000 0.231 34 N C 1.749 177.255 175.510 -0.007 0.000 1.036 34 N CA 0.378 53.424 53.050 -0.008 0.000 1.139 34 N CB -0.427 38.049 38.487 -0.018 0.000 1.456 34 N HN 0.643 nan 8.380 nan 0.000 0.608 35 G N 0.065 108.859 108.800 -0.010 0.000 2.576 35 G HA2 0.255 4.215 3.960 -0.000 0.000 0.210 35 G HA3 0.255 4.215 3.960 -0.000 0.000 0.210 35 G C 0.512 175.407 174.900 -0.008 0.000 1.143 35 G CA 0.057 45.153 45.100 -0.007 0.000 0.819 35 G HN 0.115 nan 8.290 nan 0.000 0.534 36 I N 0.037 120.599 120.570 -0.015 0.000 3.062 36 I HA 0.471 4.641 4.170 -0.000 0.000 0.318 36 I C -0.285 175.820 176.117 -0.020 0.000 1.026 36 I CA -1.146 60.141 61.300 -0.022 0.000 1.096 36 I CB 2.030 40.007 38.000 -0.037 0.000 1.348 36 I HN -0.139 nan 8.210 nan 0.000 0.543 37 V N 4.549 124.446 119.914 -0.028 0.000 2.350 37 V HA 0.463 4.583 4.120 -0.000 0.000 0.276 37 V C -0.487 175.590 176.094 -0.028 0.000 1.028 37 V CA -0.327 61.960 62.300 -0.022 0.000 0.860 37 V CB 1.302 33.110 31.823 -0.026 0.000 0.990 37 V HN 0.445 nan 8.190 nan 0.000 0.453 38 V N 6.709 126.629 119.914 0.010 0.000 2.398 38 V HA 0.875 4.995 4.120 -0.000 0.000 0.286 38 V C 0.422 176.557 176.094 0.068 0.000 1.026 38 V CA -0.010 62.313 62.300 0.038 0.000 0.868 38 V CB 1.197 33.065 31.823 0.074 0.000 0.982 38 V HN 1.172 nan 8.190 nan 0.000 0.443 39 A N 3.737 126.562 122.820 0.008 0.000 2.356 39 A HA 0.940 5.260 4.320 -0.000 0.000 0.310 39 A C -0.076 177.489 177.584 -0.031 0.000 1.075 39 A CA -0.414 51.597 52.037 -0.044 0.000 0.746 39 A CB 1.708 20.659 19.000 -0.082 0.000 1.221 39 A HN 0.944 nan 8.150 nan 0.000 0.443 40 T N -0.859 113.660 114.554 -0.058 0.000 2.883 40 T HA 0.779 5.129 4.350 -0.000 0.000 0.296 40 T C -0.863 173.812 174.700 -0.041 0.000 1.117 40 T CA -0.641 61.454 62.100 -0.009 0.000 1.006 40 T CB 1.996 70.925 68.868 0.101 0.000 1.191 40 T HN 0.736 nan 8.240 nan 0.000 0.508 41 E N 1.054 121.252 120.200 -0.003 0.000 2.378 41 E HA 0.321 4.671 4.350 -0.000 0.000 0.282 41 E C -1.517 175.106 176.600 0.038 0.000 0.910 41 E CA -0.666 55.722 56.400 -0.020 0.000 0.816 41 E CB 0.740 30.403 29.700 -0.061 0.000 1.359 41 E HN 0.958 nan 8.360 nan 0.000 0.397 42 H N 2.540 121.597 119.070 -0.022 0.000 2.472 42 H HA 0.643 5.199 4.556 -0.000 0.000 0.338 42 H C -1.016 174.308 175.328 -0.007 0.000 1.133 42 H CA -0.655 55.388 56.048 -0.008 0.000 1.216 42 H CB 1.324 31.088 29.762 0.003 0.000 1.497 42 H HN 0.212 nan 8.280 nan 0.000 0.500 43 N N 4.164 122.913 118.700 0.082 0.000 2.503 43 N HA 0.157 4.897 4.740 -0.000 0.000 0.287 43 N C -3.037 172.535 175.510 0.103 0.000 1.096 43 N CA -1.423 51.644 53.050 0.028 0.000 0.936 43 N CB 2.321 40.796 38.487 -0.020 0.000 1.570 43 N HN 0.530 nan 8.380 nan 0.000 0.504 44 P HA 0.004 nan 4.420 nan 0.000 0.247 44 P C -0.267 177.080 177.300 0.079 0.000 1.147 44 P CA 0.443 63.597 63.100 0.089 0.000 0.964 44 P CB 0.326 32.070 31.700 0.073 0.000 0.944 45 A N 3.197 126.072 122.820 0.092 0.000 2.084 45 A HA 0.326 4.646 4.320 -0.000 0.000 0.211 45 A C 0.966 178.692 177.584 0.236 0.000 2.280 45 A CA 0.973 53.088 52.037 0.129 0.000 1.128 45 A CB 0.020 19.080 19.000 0.099 0.000 1.248 45 A HN 0.444 nan 8.150 nan 0.000 0.624 46 H N -2.245 116.836 119.070 0.017 0.000 1.813 46 H HA 0.178 4.734 4.556 -0.000 0.000 0.130 46 H C 0.294 175.629 175.328 0.010 0.000 1.170 46 H CA 0.908 56.964 56.048 0.012 0.000 1.074 46 H CB 0.378 30.147 29.762 0.011 0.000 0.605 46 H HN 0.661 nan 8.280 nan 0.000 0.260 47 T N -0.712 113.929 114.554 0.145 0.000 2.949 47 T HA 0.852 5.202 4.350 -0.000 0.000 0.287 47 T C -0.242 174.489 174.700 0.050 0.000 1.034 47 T CA -0.315 61.830 62.100 0.074 0.000 1.018 47 T CB 2.327 71.239 68.868 0.074 0.000 1.135 47 T HN 0.406 nan 8.240 nan 0.000 0.532 48 A N 0.724 123.563 122.820 0.033 0.000 2.386 48 A HA 0.746 5.066 4.320 -0.000 0.000 0.311 48 A C -0.345 177.254 177.584 0.025 0.000 1.068 48 A CA -0.845 51.208 52.037 0.027 0.000 0.743 48 A CB 1.575 20.585 19.000 0.017 0.000 1.258 48 A HN 0.773 nan 8.150 nan 0.000 0.429 49 S N 0.468 116.182 115.700 0.023 0.000 2.519 49 S HA 0.626 5.096 4.470 -0.000 0.000 0.309 49 S C -0.634 173.977 174.600 0.018 0.000 1.100 49 S CA -0.457 57.757 58.200 0.024 0.000 1.059 49 S CB 1.420 64.632 63.200 0.021 0.000 1.008 49 S HN 0.668 nan 8.310 nan 0.000 0.478 50 V N 2.106 122.038 119.914 0.029 0.000 2.604 50 V HA 0.990 5.110 4.120 -0.000 0.000 0.305 50 V C 0.463 176.572 176.094 0.025 0.000 1.043 50 V CA -0.429 61.883 62.300 0.019 0.000 0.888 50 V CB 1.694 33.535 31.823 0.029 0.000 0.995 50 V HN 1.019 nan 8.190 nan 0.000 0.429 51 G N 1.460 110.244 108.800 -0.027 0.000 2.601 51 G HA2 0.535 4.495 3.960 -0.000 0.000 0.291 51 G HA3 0.535 4.495 3.960 -0.000 0.000 0.291 51 G C -1.978 172.812 174.900 -0.184 0.000 1.456 51 G CA -0.517 44.546 45.100 -0.062 0.000 0.804 51 G HN 0.728 nan 8.290 nan 0.000 0.499 52 V N 0.439 120.162 119.914 -0.318 0.000 2.472 52 V HA 0.744 4.864 4.120 -0.000 0.000 0.290 52 V C -0.619 175.115 176.094 -0.601 0.000 1.037 52 V CA -0.518 61.449 62.300 -0.555 0.000 0.908 52 V CB 1.458 32.752 31.823 -0.881 0.000 0.985 52 V HN 0.732 nan 8.190 nan 0.000 0.454 53 V N 7.733 127.314 119.914 -0.555 0.000 2.376 53 V HA 0.484 4.604 4.120 -0.000 0.000 0.287 53 V C -0.434 175.457 176.094 -0.339 0.000 1.015 53 V CA -0.521 61.572 62.300 -0.345 0.000 0.834 53 V CB 1.041 32.734 31.823 -0.217 0.000 1.001 53 V HN 0.744 nan 8.190 nan 0.000 0.428 54 F N 1.736 121.697 119.950 0.017 0.000 2.384 54 F HA 0.544 5.071 4.527 -0.000 0.000 0.338 54 F C 1.493 177.375 175.800 0.137 0.000 1.103 54 F CA -0.285 57.748 58.000 0.055 0.000 1.157 54 F CB 1.284 40.335 39.000 0.085 0.000 1.167 54 F HN 0.565 nan 8.300 nan 0.000 0.529 55 G N 1.211 110.196 108.800 0.307 0.000 3.414 55 G HA2 0.279 4.239 3.960 -0.000 0.000 0.258 55 G HA3 0.279 4.239 3.960 -0.000 0.000 0.258 55 G C -0.433 174.602 174.900 0.225 0.000 1.348 55 G CA -0.035 45.204 45.100 0.231 0.000 1.319 55 G HN 0.437 nan 8.290 nan 0.000 0.555 56 S N -1.525 114.329 115.700 0.257 0.000 2.603 56 S HA 0.711 5.181 4.470 -0.000 0.000 0.274 56 S C 0.281 174.989 174.600 0.180 0.000 1.168 56 S CA -0.255 58.037 58.200 0.154 0.000 0.963 56 S CB 1.980 65.204 63.200 0.041 0.000 1.078 56 S HN 0.534 nan 8.310 nan 0.000 0.477 57 G N 1.011 109.865 108.800 0.091 0.000 3.247 57 G HA2 0.668 4.628 3.960 -0.000 0.000 0.199 57 G HA3 0.668 4.628 3.960 -0.000 0.000 0.199 57 G C 0.823 175.720 174.900 -0.005 0.000 1.172 57 G CA 0.008 45.130 45.100 0.037 0.000 0.844 57 G HN 0.766 nan 8.290 nan 0.000 0.619 58 A N -0.608 122.153 122.820 -0.099 0.000 2.125 58 A HA 0.314 4.634 4.320 -0.000 0.000 0.219 58 A C 2.382 179.896 177.584 -0.116 0.000 1.156 58 A CA 2.212 54.172 52.037 -0.128 0.000 0.671 58 A CB -0.662 18.233 19.000 -0.174 0.000 0.794 58 A HN 1.361 nan 8.150 nan 0.000 0.459 59 A N -0.412 122.338 122.820 -0.116 0.000 2.209 59 A HA -0.027 4.293 4.320 -0.000 0.000 0.212 59 A C 1.579 179.133 177.584 -0.050 0.000 1.158 59 A CA 1.014 52.987 52.037 -0.106 0.000 0.742 59 A CB -0.355 18.570 19.000 -0.126 0.000 0.790 59 A HN 0.601 nan 8.150 nan 0.000 0.472 60 N N -0.328 118.355 118.700 -0.028 0.000 2.220 60 N HA 0.037 4.777 4.740 -0.000 0.000 0.195 60 N C -0.049 175.492 175.510 0.052 0.000 1.123 60 N CA 0.040 53.082 53.050 -0.013 0.000 0.874 60 N CB 0.558 38.962 38.487 -0.139 0.000 0.995 60 N HN 0.634 nan 8.380 nan 0.000 0.498 61 E N 1.059 121.280 120.200 0.035 0.000 2.405 61 E HA 0.158 4.508 4.350 -0.000 0.000 0.253 61 E C -0.390 176.223 176.600 0.021 0.000 1.257 61 E CA -0.087 56.331 56.400 0.031 0.000 0.960 61 E CB 0.734 30.382 29.700 -0.087 0.000 1.077 61 E HN 0.119 nan 8.360 nan 0.000 0.512 62 N N -0.141 118.571 118.700 0.020 0.000 2.502 62 N HA 0.139 4.879 4.740 -0.000 0.000 0.280 62 N C -2.066 173.392 175.510 -0.087 0.000 1.223 62 N CA -1.351 51.705 53.050 0.009 0.000 0.966 62 N CB 0.956 39.496 38.487 0.088 0.000 1.203 62 N HN 0.168 nan 8.380 nan 0.000 0.565 63 P HA -0.120 nan 4.420 nan 0.000 0.219 63 P C 0.000 176.983 177.300 -0.529 0.000 1.146 63 P CA 1.461 64.309 63.100 -0.421 0.000 0.808 63 P CB 0.086 31.401 31.700 -0.641 0.000 0.779 64 Y N -1.261 119.034 120.300 -0.009 0.000 2.507 64 Y HA 0.105 4.654 4.550 -0.000 0.000 0.263 64 Y C 1.507 177.397 175.900 -0.017 0.000 1.093 64 Y CA 0.268 58.362 58.100 -0.009 0.000 1.285 64 Y CB -0.496 37.963 38.460 -0.001 0.000 1.115 64 Y HN 0.063 nan 8.280 nan 0.000 0.533 65 N N -0.891 117.853 118.700 0.073 0.000 2.238 65 N HA 0.017 4.757 4.740 -0.000 0.000 0.222 65 N C -0.493 174.974 175.510 -0.070 0.000 1.133 65 N CA -0.313 52.745 53.050 0.013 0.000 0.854 65 N CB -0.186 38.322 38.487 0.036 0.000 1.041 65 N HN -0.068 nan 8.380 nan 0.000 0.510 66 N N 0.734 119.383 118.700 -0.086 0.000 2.414 66 N HA 0.242 4.982 4.740 -0.000 0.000 0.268 66 N C 1.030 176.463 175.510 -0.128 0.000 1.286 66 N CA 1.622 54.598 53.050 -0.124 0.000 0.896 66 N CB 0.134 38.541 38.487 -0.133 0.000 1.093 66 N HN 0.494 nan 8.380 nan 0.000 0.480 67 G N 1.468 110.171 108.800 -0.161 0.000 2.192 67 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.193 67 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.193 67 G C 0.709 175.511 174.900 -0.164 0.000 0.999 67 G CA 0.073 45.084 45.100 -0.149 0.000 0.659 67 G HN 0.604 nan 8.290 nan 0.000 0.503 68 V N 0.894 120.665 119.914 -0.238 0.000 2.453 68 V HA -0.031 4.089 4.120 -0.000 0.000 0.247 68 V C 2.569 178.530 176.094 -0.221 0.000 1.048 68 V CA 3.284 65.414 62.300 -0.282 0.000 1.049 68 V CB -0.158 31.420 31.823 -0.409 0.000 0.672 68 V HN 0.396 nan 8.190 nan 0.000 0.457 69 S N 0.745 116.272 115.700 -0.289 0.000 2.368 69 S HA -0.183 4.287 4.470 -0.000 0.000 0.224 69 S C 1.847 176.526 174.600 0.133 0.000 1.029 69 S CA 1.782 59.984 58.200 0.003 0.000 0.988 69 S CB -0.593 62.575 63.200 -0.054 0.000 0.838 69 S HN 0.756 nan 8.310 nan 0.000 0.462 70 N N 1.178 119.875 118.700 -0.005 0.000 2.223 70 N HA -0.036 4.704 4.740 -0.000 0.000 0.185 70 N C 1.529 177.068 175.510 0.049 0.000 1.016 70 N CA 0.645 53.695 53.050 -0.001 0.000 0.863 70 N CB -0.360 38.078 38.487 -0.082 0.000 0.983 70 N HN 0.169 nan 8.380 nan 0.000 0.429 71 L N -0.710 120.521 121.223 0.013 0.000 2.072 71 L HA 0.081 4.421 4.340 -0.000 0.000 0.205 71 L C 1.737 178.664 176.870 0.095 0.000 1.079 71 L CA 1.266 56.095 54.840 -0.019 0.000 0.752 71 L CB -1.109 40.876 42.059 -0.123 0.000 0.906 71 L HN 0.302 nan 8.230 nan 0.000 0.436 72 W N 0.528 121.925 121.300 0.162 0.000 2.317 72 W HA -0.318 4.342 4.660 -0.000 0.000 0.318 72 W C 2.758 179.524 176.519 0.412 0.000 1.227 72 W CA 1.829 59.353 57.345 0.297 0.000 1.269 72 W CB -0.142 29.573 29.460 0.426 0.000 1.155 72 W HN 0.101 nan 8.180 nan 0.000 0.484 73 K N 0.257 121.053 120.400 0.659 0.000 2.074 73 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 73 K C 1.606 178.472 176.600 0.444 0.000 1.048 73 K CA 1.809 58.401 56.287 0.508 0.000 0.926 73 K CB -0.539 32.080 32.500 0.200 0.000 0.713 73 K HN 0.185 nan 8.250 nan 0.000 0.444 74 N N 0.881 119.758 118.700 0.295 0.000 2.416 74 N HA -0.056 4.684 4.740 -0.000 0.000 0.177 74 N C 1.926 177.554 175.510 0.197 0.000 1.036 74 N CA 1.234 54.398 53.050 0.190 0.000 0.901 74 N CB 0.068 38.599 38.487 0.073 0.000 0.976 74 N HN 0.460 nan 8.380 nan 0.000 0.444 75 I N -2.354 118.365 120.570 0.249 0.000 2.584 75 I HA -0.040 4.130 4.170 -0.000 0.000 0.255 75 I C 2.101 178.403 176.117 0.309 0.000 1.145 75 I CA 0.611 62.047 61.300 0.226 0.000 1.462 75 I CB -0.647 37.468 38.000 0.191 0.000 1.102 75 I HN -0.199 nan 8.210 nan 0.000 0.433 76 F N 2.530 122.662 119.950 0.304 0.000 2.250 76 F HA -0.049 4.478 4.527 -0.000 0.000 0.301 76 F C 1.627 177.594 175.800 0.278 0.000 1.077 76 F CA 1.565 59.755 58.000 0.316 0.000 1.348 76 F CB 0.063 39.362 39.000 0.499 0.000 1.040 76 F HN 0.003 nan 8.300 nan 0.000 0.509 77 L N -0.671 120.721 121.223 0.281 0.000 2.769 77 L HA 0.186 4.526 4.340 -0.000 0.000 0.240 77 L C 1.013 177.935 176.870 0.087 0.000 1.163 77 L CA -0.249 54.677 54.840 0.142 0.000 0.962 77 L CB -0.402 41.777 42.059 0.200 0.000 1.258 77 L HN -0.049 nan 8.230 nan 0.000 0.513 78 S N 0.567 116.321 115.700 0.090 0.000 2.584 78 S HA -0.019 4.451 4.470 -0.000 0.000 0.270 78 S C 1.383 176.008 174.600 0.041 0.000 1.346 78 S CA -0.101 58.136 58.200 0.062 0.000 1.018 78 S CB 1.189 64.430 63.200 0.068 0.000 0.899 78 S HN 0.338 nan 8.310 nan 0.000 0.542 79 K N 1.808 122.226 120.400 0.030 0.000 2.160 79 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 79 K C 1.779 178.395 176.600 0.027 0.000 1.047 79 K CA 1.828 58.129 56.287 0.023 0.000 0.930 79 K CB -0.130 32.380 32.500 0.017 0.000 0.720 79 K HN 0.717 nan 8.250 nan 0.000 0.450 80 E N 0.102 120.322 120.200 0.034 0.000 2.028 80 E HA -0.191 4.159 4.350 -0.000 0.000 0.191 80 E C 1.855 178.489 176.600 0.057 0.000 0.988 80 E CA 1.279 57.703 56.400 0.039 0.000 0.799 80 E CB -0.158 29.564 29.700 0.037 0.000 0.755 80 E HN 0.310 nan 8.360 nan 0.000 0.447 81 N N 0.119 118.856 118.700 0.062 0.000 2.331 81 N HA -0.076 4.664 4.740 -0.000 0.000 0.180 81 N C 1.681 177.281 175.510 0.149 0.000 1.019 81 N CA 0.758 53.873 53.050 0.107 0.000 0.881 81 N CB 0.068 38.577 38.487 0.036 0.000 0.972 81 N HN -0.116 nan 8.380 nan 0.000 0.435 82 S N -1.250 114.478 115.700 0.047 0.000 2.446 82 S HA 0.225 4.695 4.470 -0.000 0.000 0.225 82 S C 1.708 176.292 174.600 -0.027 0.000 1.016 82 S CA 0.681 58.873 58.200 -0.014 0.000 0.943 82 S CB -0.178 63.015 63.200 -0.012 0.000 0.786 82 S HN 0.494 nan 8.310 nan 0.000 0.508 83 A N 0.544 123.370 122.820 0.010 0.000 1.930 83 A HA 0.087 4.407 4.320 -0.000 0.000 0.215 83 A C 2.098 179.691 177.584 0.014 0.000 1.176 83 A CA 1.015 53.055 52.037 0.004 0.000 0.632 83 A CB -0.610 18.399 19.000 0.016 0.000 0.819 83 A HN 0.380 nan 8.150 nan 0.000 0.445 84 V N -0.173 119.785 119.914 0.073 0.000 2.594 84 V HA -0.200 3.920 4.120 -0.000 0.000 0.253 84 V C 2.855 178.992 176.094 0.072 0.000 1.069 84 V CA 1.796 64.182 62.300 0.143 0.000 1.082 84 V CB -0.903 31.087 31.823 0.279 0.000 0.680 84 V HN 0.591 nan 8.190 nan 0.000 0.469 85 A N -0.343 122.371 122.820 -0.177 0.000 1.975 85 A HA 0.229 4.549 4.320 -0.000 0.000 0.215 85 A C 2.309 179.715 177.584 -0.296 0.000 1.170 85 A CA 1.275 52.945 52.037 -0.611 0.000 0.656 85 A CB -0.386 17.971 19.000 -1.071 0.000 0.821 85 A HN 0.504 nan 8.150 nan 0.000 0.449 86 A N -0.237 122.483 122.820 -0.166 0.000 2.016 86 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 86 A C 2.006 179.552 177.584 -0.064 0.000 1.162 86 A CA 1.158 53.134 52.037 -0.101 0.000 0.662 86 A CB -0.212 18.749 19.000 -0.066 0.000 0.812 86 A HN 0.293 nan 8.150 nan 0.000 0.450 87 K N 0.050 120.422 120.400 -0.046 0.000 2.026 87 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 87 K C 1.652 178.236 176.600 -0.026 0.000 1.048 87 K CA 1.661 57.935 56.287 -0.021 0.000 0.929 87 K CB -0.273 32.227 32.500 0.001 0.000 0.713 87 K HN 0.497 nan 8.250 nan 0.000 0.439 88 E N -0.201 119.975 120.200 -0.041 0.000 2.516 88 E HA -0.017 4.333 4.350 -0.000 0.000 0.199 88 E C 0.374 176.943 176.600 -0.052 0.000 1.069 88 E CA 0.584 56.962 56.400 -0.036 0.000 0.876 88 E CB -0.117 29.564 29.700 -0.032 0.000 0.843 88 E HN 0.479 nan 8.360 nan 0.000 0.530 89 G N 0.221 108.982 108.800 -0.066 0.000 2.212 89 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.255 89 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.255 89 G C -0.467 174.386 174.900 -0.078 0.000 1.062 89 G CA 0.312 45.377 45.100 -0.058 0.000 0.815 89 G HN 0.131 nan 8.290 nan 0.000 0.497 90 L N 0.190 121.331 121.223 -0.136 0.000 2.334 90 L HA 0.916 5.256 4.340 -0.000 0.000 0.273 90 L C 0.478 177.247 176.870 -0.169 0.000 1.013 90 L CA -0.302 54.437 54.840 -0.168 0.000 0.816 90 L CB 1.941 43.826 42.059 -0.290 0.000 1.278 90 L HN 0.632 nan 8.230 nan 0.000 0.431 91 A N 3.652 126.407 122.820 -0.108 0.000 2.342 91 A HA 0.834 5.154 4.320 -0.000 0.000 0.323 91 A C -1.074 176.489 177.584 -0.036 0.000 1.125 91 A CA -0.503 51.493 52.037 -0.070 0.000 0.785 91 A CB 0.785 19.770 19.000 -0.025 0.000 1.221 91 A HN 0.615 nan 8.150 nan 0.000 0.463 92 L N 1.368 122.581 121.223 -0.016 0.000 2.325 92 L HA 0.699 5.039 4.340 -0.000 0.000 0.278 92 L C 0.117 177.076 176.870 0.148 0.000 1.023 92 L CA -0.335 54.550 54.840 0.074 0.000 0.811 92 L CB 2.028 44.086 42.059 -0.002 0.000 1.249 92 L HN 0.673 nan 8.230 nan 0.000 0.431 93 S N 0.859 116.711 115.700 0.254 0.000 2.543 93 S HA 0.595 5.065 4.470 -0.000 0.000 0.271 93 S C -1.209 173.518 174.600 0.212 0.000 1.148 93 S CA -0.477 57.837 58.200 0.191 0.000 0.914 93 S CB 2.151 65.417 63.200 0.111 0.000 1.096 93 S HN 0.588 nan 8.310 nan 0.000 0.471 94 S N 2.322 118.094 115.700 0.120 0.000 2.564 94 S HA 0.686 5.156 4.470 -0.000 0.000 0.274 94 S C -1.893 172.658 174.600 -0.082 0.000 1.124 94 S CA -0.729 57.438 58.200 -0.054 0.000 0.869 94 S CB 1.371 64.524 63.200 -0.079 0.000 1.105 94 S HN 0.750 nan 8.310 nan 0.000 0.472 95 N N 3.568 122.169 118.700 -0.166 0.000 2.478 95 N HA 0.298 5.038 4.740 -0.000 0.000 0.291 95 N C -1.677 173.719 175.510 -0.189 0.000 1.090 95 N CA -0.442 52.539 53.050 -0.114 0.000 0.911 95 N CB 0.964 39.440 38.487 -0.018 0.000 1.546 95 N HN 0.496 nan 8.380 nan 0.000 0.500 96 I N 1.986 122.442 120.570 -0.190 0.000 2.331 96 I HA 0.302 4.472 4.170 -0.000 0.000 0.292 96 I C 0.858 176.780 176.117 -0.324 0.000 0.998 96 I CA -0.231 60.933 61.300 -0.228 0.000 1.267 96 I CB 0.688 38.602 38.000 -0.144 0.000 1.386 96 I HN 0.444 nan 8.210 nan 0.000 0.476 97 S N 5.345 120.731 115.700 -0.523 0.000 2.855 97 S HA 0.540 5.010 4.470 -0.000 0.000 0.308 97 S C 1.190 175.552 174.600 -0.396 0.000 1.077 97 S CA -0.486 57.377 58.200 -0.562 0.000 0.896 97 S CB 1.644 64.161 63.200 -1.139 0.000 1.339 97 S HN 0.620 nan 8.310 nan 0.000 0.602 98 R N 0.156 120.475 120.500 -0.302 0.000 2.064 98 R HA 0.139 4.479 4.340 -0.000 0.000 0.221 98 R C 0.894 177.110 176.300 -0.140 0.000 1.136 98 R CA 1.118 57.070 56.100 -0.248 0.000 0.980 98 R CB -0.313 29.751 30.300 -0.394 0.000 0.876 98 R HN 0.559 nan 8.270 nan 0.000 0.437 99 D N -0.176 120.216 120.400 -0.013 0.000 2.305 99 D HA 0.023 4.663 4.640 -0.000 0.000 0.206 99 D C 0.432 176.856 176.300 0.206 0.000 0.974 99 D CA 0.789 54.868 54.000 0.133 0.000 0.871 99 D CB 0.386 41.355 40.800 0.281 0.000 0.947 99 D HN 0.079 nan 8.370 nan 0.000 0.516 100 F N -0.865 119.125 119.950 0.067 0.000 2.869 100 F HA 0.611 5.138 4.527 -0.000 0.000 0.325 100 F C -1.439 174.413 175.800 0.087 0.000 1.184 100 F CA -1.164 56.886 58.000 0.082 0.000 0.951 100 F CB 1.635 40.666 39.000 0.051 0.000 1.421 100 F HN -0.349 nan 8.300 nan 0.000 0.501 101 Q N 1.171 121.184 119.800 0.355 0.000 2.403 101 Q HA 0.566 4.905 4.340 -0.000 0.000 0.267 101 Q C -2.061 174.075 176.000 0.226 0.000 0.991 101 Q CA -0.606 55.310 55.803 0.189 0.000 0.906 101 Q CB 2.298 31.235 28.738 0.331 0.000 1.422 101 Q HN 1.120 nan 8.270 nan 0.000 0.400 102 S N 2.063 117.715 115.700 -0.079 0.000 2.548 102 S HA 0.701 5.171 4.470 -0.000 0.000 0.276 102 S C -1.680 172.571 174.600 -0.581 0.000 1.129 102 S CA -0.492 57.604 58.200 -0.174 0.000 0.931 102 S CB 0.917 64.120 63.200 0.005 0.000 1.068 102 S HN 0.494 nan 8.310 nan 0.000 0.480 103 Y N 1.943 122.095 120.300 -0.247 0.000 2.338 103 Y HA 0.680 5.230 4.550 -0.000 0.000 0.333 103 Y C -0.226 175.592 175.900 -0.136 0.000 0.968 103 Y CA -0.864 57.008 58.100 -0.381 0.000 1.123 103 Y CB 1.561 39.544 38.460 -0.795 0.000 1.165 103 Y HN 0.674 nan 8.280 nan 0.000 0.452 104 I N 3.861 124.544 120.570 0.188 0.000 2.533 104 I HA 0.549 4.719 4.170 -0.000 0.000 0.290 104 I C -1.202 175.085 176.117 0.282 0.000 1.056 104 I CA -1.086 60.321 61.300 0.178 0.000 1.057 104 I CB 2.156 40.204 38.000 0.080 0.000 1.240 104 I HN 0.221 nan 8.210 nan 0.000 0.423 105 V N 4.097 124.139 119.914 0.213 0.000 2.540 105 V HA 0.432 4.552 4.120 -0.000 0.000 0.302 105 V C -0.141 175.999 176.094 0.077 0.000 1.035 105 V CA -0.562 61.831 62.300 0.155 0.000 0.873 105 V CB 1.783 33.711 31.823 0.175 0.000 0.992 105 V HN 0.720 nan 8.190 nan 0.000 0.428 106 S N 3.108 118.834 115.700 0.042 0.000 2.442 106 S HA 0.677 5.147 4.470 -0.000 0.000 0.297 106 S C 0.215 174.818 174.600 0.006 0.000 1.131 106 S CA -0.524 57.692 58.200 0.026 0.000 1.092 106 S CB 1.482 64.697 63.200 0.026 0.000 0.998 106 S HN 1.010 nan 8.310 nan 0.000 0.478 107 S N 2.605 118.311 115.700 0.010 0.000 2.798 107 S HA 0.792 5.262 4.470 -0.000 0.000 0.312 107 S C -1.037 173.566 174.600 0.006 0.000 1.122 107 S CA -0.872 57.328 58.200 0.001 0.000 0.949 107 S CB 0.802 64.005 63.200 0.005 0.000 1.235 107 S HN 0.412 nan 8.310 nan 0.000 0.552 108 L N 2.008 123.231 121.223 -0.001 0.000 2.316 108 L HA 0.553 4.893 4.340 -0.000 0.000 0.280 108 L C -1.892 174.970 176.870 -0.013 0.000 1.006 108 L CA -2.208 52.631 54.840 -0.002 0.000 0.836 108 L CB 1.407 43.464 42.059 -0.003 0.000 1.221 108 L HN 0.522 nan 8.230 nan 0.000 0.418 109 P HA -0.058 nan 4.420 nan 0.000 0.225 109 P C 1.107 178.395 177.300 -0.020 0.000 1.148 109 P CA 0.942 64.032 63.100 -0.016 0.000 0.779 109 P CB 0.305 31.991 31.700 -0.023 0.000 0.780 110 G N -0.018 108.768 108.800 -0.023 0.000 2.572 110 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 110 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 110 G C 1.241 176.133 174.900 -0.013 0.000 1.133 110 G CA 0.136 45.223 45.100 -0.021 0.000 0.791 110 G HN 0.243 nan 8.290 nan 0.000 0.538 111 S N 0.137 115.832 115.700 -0.009 0.000 2.763 111 S HA 0.072 4.542 4.470 -0.000 0.000 0.237 111 S C 1.909 176.512 174.600 0.005 0.000 0.966 111 S CA 0.350 58.549 58.200 -0.002 0.000 1.017 111 S CB 0.055 63.254 63.200 -0.003 0.000 0.780 111 S HN 0.388 nan 8.310 nan 0.000 0.476 112 T N 0.847 115.402 114.554 0.001 0.000 3.025 112 T HA -0.125 4.225 4.350 -0.000 0.000 0.270 112 T C 1.319 176.025 174.700 0.011 0.000 1.126 112 T CA 1.410 63.513 62.100 0.004 0.000 1.105 112 T CB -0.189 68.675 68.868 -0.007 0.000 0.884 112 T HN 0.444 nan 8.240 nan 0.000 0.522 113 D N -0.253 120.154 120.400 0.011 0.000 2.262 113 D HA 0.106 4.746 4.640 -0.000 0.000 0.212 113 D C 2.012 178.334 176.300 0.037 0.000 0.964 113 D CA 0.575 54.585 54.000 0.017 0.000 0.875 113 D CB 0.084 40.889 40.800 0.009 0.000 0.996 113 D HN 0.102 nan 8.370 nan 0.000 0.497 114 K N -0.363 120.060 120.400 0.039 0.000 2.486 114 K HA 0.181 4.501 4.320 -0.000 0.000 0.194 114 K C 1.750 178.407 176.600 0.094 0.000 1.033 114 K CA 0.246 56.569 56.287 0.060 0.000 1.004 114 K CB 0.107 32.632 32.500 0.041 0.000 0.798 114 K HN -0.057 nan 8.250 nan 0.000 0.495 115 S N 0.071 115.820 115.700 0.082 0.000 2.406 115 S HA 0.094 4.564 4.470 -0.000 0.000 0.224 115 S C 1.514 176.206 174.600 0.155 0.000 1.030 115 S CA 0.482 58.752 58.200 0.118 0.000 0.958 115 S CB 0.004 63.250 63.200 0.075 0.000 0.811 115 S HN 0.185 nan 8.310 nan 0.000 0.489 116 L N 1.314 122.596 121.223 0.098 0.000 2.201 116 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 116 L C 1.962 178.889 176.870 0.094 0.000 1.105 116 L CA 0.799 55.687 54.840 0.080 0.000 0.775 116 L CB -0.365 41.717 42.059 0.038 0.000 0.913 116 L HN 0.180 nan 8.230 nan 0.000 0.440 117 D N -0.318 120.147 120.400 0.109 0.000 2.117 117 D HA -0.200 4.440 4.640 -0.000 0.000 0.198 117 D C 1.928 178.308 176.300 0.132 0.000 0.982 117 D CA 1.255 55.318 54.000 0.104 0.000 0.828 117 D CB -0.024 40.838 40.800 0.103 0.000 0.967 117 D HN 0.204 nan 8.370 nan 0.000 0.464 118 F N 0.910 120.897 119.950 0.062 0.000 2.325 118 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 118 F C 2.056 177.943 175.800 0.146 0.000 1.090 118 F CA 0.470 58.517 58.000 0.078 0.000 1.392 118 F CB 0.074 39.110 39.000 0.060 0.000 1.053 118 F HN -0.099 nan 8.300 nan 0.000 0.521 119 L N 0.439 121.808 121.223 0.244 0.000 2.027 119 L HA -0.247 4.093 4.340 -0.000 0.000 0.206 119 L C 2.189 179.179 176.870 0.201 0.000 1.074 119 L CA 1.813 56.805 54.840 0.253 0.000 0.745 119 L CB -1.374 40.779 42.059 0.156 0.000 0.898 119 L HN 0.304 nan 8.230 nan 0.000 0.433 120 N N -0.657 118.105 118.700 0.104 0.000 2.333 120 N HA -0.190 4.550 4.740 -0.000 0.000 0.178 120 N C 1.718 177.249 175.510 0.035 0.000 1.018 120 N CA 0.385 53.484 53.050 0.082 0.000 0.882 120 N CB 0.226 38.742 38.487 0.049 0.000 0.984 120 N HN 0.417 nan 8.380 nan 0.000 0.434 121 Q N 0.127 119.908 119.800 -0.031 0.000 2.364 121 Q HA -0.019 4.321 4.340 -0.000 0.000 0.209 121 Q C 1.120 177.021 176.000 -0.166 0.000 0.977 121 Q CA 0.885 56.629 55.803 -0.098 0.000 0.885 121 Q CB 0.254 28.910 28.738 -0.137 0.000 0.941 121 Q HN 0.292 nan 8.270 nan 0.000 0.464 122 S N -0.859 114.741 115.700 -0.166 0.000 2.452 122 S HA 0.102 4.572 4.470 -0.000 0.000 0.225 122 S C 0.711 175.206 174.600 -0.175 0.000 1.057 122 S CA 0.015 58.098 58.200 -0.196 0.000 0.949 122 S CB 0.125 63.212 63.200 -0.187 0.000 0.836 122 S HN 0.327 nan 8.310 nan 0.000 0.518 123 F N 0.828 120.755 119.950 -0.039 0.000 2.664 123 F HA 0.479 5.006 4.527 -0.000 0.000 0.301 123 F C 1.129 176.920 175.800 -0.016 0.000 1.126 123 F CA 0.136 58.114 58.000 -0.037 0.000 1.373 123 F CB 0.065 39.032 39.000 -0.055 0.000 1.042 123 F HN 0.151 nan 8.300 nan 0.000 0.535 124 I N -2.315 118.303 120.570 0.079 0.000 4.147 124 I HA -0.087 4.083 4.170 -0.000 0.000 0.278 124 I C 2.112 178.237 176.117 0.013 0.000 1.133 124 I CA 0.202 61.533 61.300 0.051 0.000 1.317 124 I CB 0.100 38.132 38.000 0.053 0.000 1.688 124 I HN -0.125 nan 8.210 nan 0.000 0.432 125 Q N 1.376 121.172 119.800 -0.006 0.000 1.984 125 Q HA -0.115 4.225 4.340 -0.000 0.000 0.196 125 Q C 1.717 177.699 176.000 -0.030 0.000 0.975 125 Q CA 1.685 57.477 55.803 -0.018 0.000 0.827 125 Q CB 0.075 28.797 28.738 -0.027 0.000 0.894 125 Q HN 0.423 nan 8.270 nan 0.000 0.438 126 Q N 0.043 119.806 119.800 -0.061 0.000 2.444 126 Q HA -0.025 4.315 4.340 -0.000 0.000 0.206 126 Q C 0.644 176.619 176.000 -0.042 0.000 0.948 126 Q CA 0.141 55.907 55.803 -0.062 0.000 0.946 126 Q CB 0.370 29.043 28.738 -0.109 0.000 1.027 126 Q HN -0.046 nan 8.270 nan 0.000 0.513 127 K N -0.428 119.941 120.400 -0.052 0.000 2.591 127 K HA 0.057 4.377 4.320 -0.000 0.000 0.197 127 K C 0.344 176.980 176.600 0.061 0.000 1.026 127 K CA 0.151 56.433 56.287 -0.008 0.000 1.127 127 K CB 0.162 32.614 32.500 -0.080 0.000 0.871 127 K HN 0.176 nan 8.250 nan 0.000 0.507 128 A N -1.291 121.548 122.820 0.031 0.000 2.653 128 A HA 0.253 4.573 4.320 -0.000 0.000 0.248 128 A C 0.993 178.584 177.584 0.011 0.000 1.211 128 A CA -0.256 51.796 52.037 0.025 0.000 0.991 128 A CB 0.184 19.192 19.000 0.012 0.000 1.252 128 A HN 0.288 nan 8.150 nan 0.000 0.593 129 N N -0.968 117.739 118.700 0.012 0.000 2.257 129 N HA 0.285 5.025 4.740 -0.000 0.000 0.200 129 N C 1.220 176.741 175.510 0.018 0.000 1.163 129 N CA 0.052 53.106 53.050 0.006 0.000 0.891 129 N CB 0.299 38.784 38.487 -0.004 0.000 1.067 129 N HN 0.309 nan 8.380 nan 0.000 0.497 130 L N 0.367 121.612 121.223 0.037 0.000 2.217 130 L HA 0.050 4.390 4.340 -0.000 0.000 0.211 130 L C 0.269 177.177 176.870 0.062 0.000 1.107 130 L CA 0.815 55.694 54.840 0.064 0.000 0.783 130 L CB 0.025 42.155 42.059 0.117 0.000 0.919 130 L HN 0.152 nan 8.230 nan 0.000 0.442 131 L N 0.263 121.504 121.223 0.031 0.000 2.998 131 L HA 0.125 4.465 4.340 -0.000 0.000 0.234 131 L C 0.781 177.629 176.870 -0.037 0.000 1.350 131 L CA -0.257 54.565 54.840 -0.030 0.000 1.202 131 L CB -0.597 41.392 42.059 -0.116 0.000 1.583 131 L HN 0.088 nan 8.230 nan 0.000 0.456 132 S N -2.726 112.982 115.700 0.013 0.000 2.584 132 S HA 0.243 4.713 4.470 -0.000 0.000 0.273 132 S C 1.338 175.962 174.600 0.040 0.000 1.311 132 S CA -0.598 57.609 58.200 0.011 0.000 1.034 132 S CB 1.819 65.030 63.200 0.019 0.000 0.939 132 S HN 0.221 nan 8.310 nan 0.000 0.513 133 S N 2.201 117.914 115.700 0.022 0.000 2.380 133 S HA -0.130 4.339 4.470 -0.000 0.000 0.229 133 S C 2.034 176.686 174.600 0.087 0.000 1.043 133 S CA 1.879 60.108 58.200 0.048 0.000 1.038 133 S CB -0.602 62.610 63.200 0.020 0.000 0.872 133 S HN 0.797 nan 8.310 nan 0.000 0.456 134 S N 0.826 116.560 115.700 0.056 0.000 2.436 134 S HA 0.026 4.496 4.470 -0.000 0.000 0.228 134 S C 1.663 176.293 174.600 0.050 0.000 1.014 134 S CA 0.605 58.833 58.200 0.046 0.000 0.950 134 S CB -0.321 62.895 63.200 0.028 0.000 0.784 134 S HN 0.522 nan 8.310 nan 0.000 0.504 135 N N 1.028 119.768 118.700 0.066 0.000 2.207 135 N HA 0.018 4.758 4.740 -0.000 0.000 0.182 135 N C 1.386 176.945 175.510 0.081 0.000 1.020 135 N CA 0.924 54.012 53.050 0.064 0.000 0.858 135 N CB -0.344 38.184 38.487 0.068 0.000 0.991 135 N HN 0.321 nan 8.380 nan 0.000 0.427 136 F N 1.602 121.526 119.950 -0.042 0.000 2.134 136 F HA -0.023 4.504 4.527 -0.000 0.000 0.299 136 F C 2.092 177.860 175.800 -0.054 0.000 1.097 136 F CA 1.287 59.248 58.000 -0.065 0.000 1.264 136 F CB -0.066 38.883 39.000 -0.085 0.000 1.001 136 F HN 0.033 nan 8.300 nan 0.000 0.479 137 E N 0.254 120.463 120.200 0.014 0.000 2.152 137 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 137 E C 2.256 178.786 176.600 -0.116 0.000 0.983 137 E CA 1.014 57.369 56.400 -0.076 0.000 0.818 137 E CB -0.567 29.150 29.700 0.028 0.000 0.758 137 E HN 0.481 nan 8.360 nan 0.000 0.467 138 A N 0.281 123.056 122.820 -0.075 0.000 2.123 138 A HA -0.003 4.317 4.320 -0.000 0.000 0.214 138 A C 2.239 179.768 177.584 -0.092 0.000 1.152 138 A CA 1.091 53.090 52.037 -0.065 0.000 0.728 138 A CB -0.150 18.834 19.000 -0.027 0.000 0.814 138 A HN 0.130 nan 8.150 nan 0.000 0.464 139 T N -0.704 113.767 114.554 -0.138 0.000 2.939 139 T HA -0.020 4.330 4.350 -0.000 0.000 0.254 139 T C 2.010 176.572 174.700 -0.230 0.000 1.041 139 T CA 1.181 63.191 62.100 -0.151 0.000 1.142 139 T CB -0.075 68.714 68.868 -0.132 0.000 0.874 139 T HN 0.466 nan 8.240 nan 0.000 0.452 140 K N 1.469 121.631 120.400 -0.396 0.000 2.097 140 K HA -0.112 4.208 4.320 -0.000 0.000 0.206 140 K C 2.239 178.705 176.600 -0.223 0.000 1.049 140 K CA 1.291 57.335 56.287 -0.404 0.000 0.933 140 K CB -0.114 32.015 32.500 -0.618 0.000 0.717 140 K HN 0.182 nan 8.250 nan 0.000 0.442 141 K N -0.065 120.231 120.400 -0.174 0.000 2.283 141 K HA -0.028 4.292 4.320 -0.000 0.000 0.202 141 K C 1.685 178.236 176.600 -0.083 0.000 1.048 141 K CA 1.102 57.326 56.287 -0.106 0.000 0.948 141 K CB 0.138 32.590 32.500 -0.080 0.000 0.742 141 K HN 0.010 nan 8.250 nan 0.000 0.458 142 S N -0.158 115.488 115.700 -0.089 0.000 2.470 142 S HA -0.046 4.424 4.470 -0.000 0.000 0.222 142 S C 1.583 176.146 174.600 -0.062 0.000 1.024 142 S CA 0.706 58.869 58.200 -0.062 0.000 0.931 142 S CB 0.550 63.720 63.200 -0.050 0.000 0.791 142 S HN 0.360 nan 8.310 nan 0.000 0.513 143 V N -0.731 119.132 119.914 -0.085 0.000 3.306 143 V HA 0.171 4.291 4.120 -0.000 0.000 0.264 143 V C 1.684 177.734 176.094 -0.074 0.000 1.149 143 V CA 0.773 63.025 62.300 -0.080 0.000 1.143 143 V CB -0.492 31.272 31.823 -0.098 0.000 0.767 143 V HN 0.238 nan 8.190 nan 0.000 0.476 144 L N 0.504 121.682 121.223 -0.075 0.000 2.127 144 L HA 0.156 4.496 4.340 -0.000 0.000 0.203 144 L C 2.538 179.387 176.870 -0.034 0.000 1.080 144 L CA 1.919 56.726 54.840 -0.056 0.000 0.768 144 L CB -0.834 41.188 42.059 -0.062 0.000 0.924 144 L HN 0.331 nan 8.230 nan 0.000 0.444 145 K N -0.915 119.464 120.400 -0.034 0.000 2.283 145 K HA -0.205 4.115 4.320 -0.000 0.000 0.202 145 K C 2.036 178.629 176.600 -0.011 0.000 1.048 145 K CA 1.119 57.394 56.287 -0.020 0.000 0.948 145 K CB 0.181 32.668 32.500 -0.022 0.000 0.742 145 K HN 0.390 nan 8.250 nan 0.000 0.458 146 Q N -0.029 119.759 119.800 -0.020 0.000 2.033 146 Q HA -0.069 4.271 4.340 -0.000 0.000 0.196 146 Q C 1.844 177.847 176.000 0.004 0.000 0.970 146 Q CA 1.042 56.835 55.803 -0.016 0.000 0.828 146 Q CB 0.295 29.009 28.738 -0.040 0.000 0.895 146 Q HN 0.117 nan 8.270 nan 0.000 0.440 147 V N 1.164 121.071 119.914 -0.011 0.000 2.667 147 V HA -0.213 3.907 4.120 -0.000 0.000 0.252 147 V C 2.286 178.436 176.094 0.094 0.000 1.065 147 V CA 1.845 64.158 62.300 0.021 0.000 1.083 147 V CB -0.408 31.397 31.823 -0.028 0.000 0.692 147 V HN 0.461 nan 8.190 nan 0.000 0.468 148 Q N -0.256 119.571 119.800 0.045 0.000 2.079 148 Q HA -0.246 4.094 4.340 -0.000 0.000 0.200 148 Q C 2.115 178.137 176.000 0.036 0.000 0.974 148 Q CA 1.825 57.650 55.803 0.036 0.000 0.840 148 Q CB -0.179 28.565 28.738 0.010 0.000 0.898 148 Q HN 0.605 nan 8.270 nan 0.000 0.430 149 D N -0.511 119.912 120.400 0.037 0.000 2.144 149 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 149 D C 1.655 177.971 176.300 0.027 0.000 0.984 149 D CA 0.830 54.841 54.000 0.019 0.000 0.834 149 D CB -0.041 40.771 40.800 0.020 0.000 0.955 149 D HN 0.244 nan 8.370 nan 0.000 0.465 150 F N 1.964 121.863 119.950 -0.086 0.000 2.075 150 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 150 F C 2.309 178.036 175.800 -0.121 0.000 1.113 150 F CA 1.402 59.340 58.000 -0.104 0.000 1.218 150 F CB -0.235 38.717 39.000 -0.080 0.000 0.984 150 F HN -0.195 nan 8.300 nan 0.000 0.472 151 E N 0.316 120.467 120.200 -0.081 0.000 2.150 151 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 151 E C 1.647 178.140 176.600 -0.179 0.000 0.985 151 E CA 1.602 57.905 56.400 -0.162 0.000 0.814 151 E CB -0.385 29.325 29.700 0.016 0.000 0.752 151 E HN 0.524 nan 8.360 nan 0.000 0.466 152 D N -1.093 119.222 120.400 -0.141 0.000 2.194 152 D HA 0.011 4.651 4.640 -0.000 0.000 0.204 152 D C 1.144 177.299 176.300 -0.242 0.000 0.964 152 D CA 0.845 54.776 54.000 -0.115 0.000 0.846 152 D CB 0.296 41.059 40.800 -0.061 0.000 0.962 152 D HN 0.101 nan 8.370 nan 0.000 0.490 153 N N -0.961 117.474 118.700 -0.440 0.000 2.324 153 N HA -0.045 4.695 4.740 -0.000 0.000 0.235 153 N C -0.390 174.566 175.510 -0.924 0.000 1.162 153 N CA 0.053 52.732 53.050 -0.617 0.000 0.834 153 N CB 0.683 39.006 38.487 -0.273 0.000 1.354 153 N HN -0.040 nan 8.380 nan 0.000 0.471 154 D N 1.040 121.001 120.400 -0.733 0.000 2.522 154 D HA 0.112 4.752 4.640 -0.000 0.000 0.218 154 D C 0.719 176.569 176.300 -0.749 0.000 1.149 154 D CA -0.136 53.489 54.000 -0.624 0.000 0.981 154 D CB -0.076 40.498 40.800 -0.377 0.000 1.041 154 D HN 0.251 nan 8.370 nan 0.000 0.518 155 H N 1.369 120.051 119.070 -0.646 0.000 2.395 155 H HA -0.004 4.552 4.556 0.000 0.000 0.299 155 H C -0.803 174.128 175.328 -0.661 0.000 1.070 155 H CA 0.751 56.288 56.048 -0.851 0.000 1.356 155 H CB -0.362 28.431 29.762 -1.614 0.000 1.401 155 H HN 0.386 nan 8.280 nan 0.000 0.524 156 P HA -0.122 nan 4.420 nan 0.000 0.216 156 P C 0.791 178.079 177.300 -0.019 0.000 1.153 156 P CA 1.366 64.421 63.100 -0.075 0.000 0.848 156 P CB 0.247 31.993 31.700 0.075 0.000 0.787 157 N N -0.465 118.205 118.700 -0.049 0.000 2.300 157 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 157 N C 2.023 177.573 175.510 0.067 0.000 1.016 157 N CA 0.472 53.572 53.050 0.082 0.000 0.876 157 N CB -0.337 38.303 38.487 0.255 0.000 0.979 157 N HN 0.145 nan 8.380 nan 0.000 0.432 158 R N 1.345 121.678 120.500 -0.278 0.000 2.083 158 R HA -0.087 4.253 4.340 -0.000 0.000 0.237 158 R C 1.957 178.315 176.300 0.097 0.000 1.137 158 R CA 1.257 57.203 56.100 -0.256 0.000 0.951 158 R CB -0.249 29.779 30.300 -0.453 0.000 0.851 158 R HN -0.067 nan 8.270 nan 0.000 0.434 159 V N 1.177 121.113 119.914 0.038 0.000 2.343 159 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 159 V C 2.259 178.448 176.094 0.157 0.000 1.051 159 V CA 1.604 63.967 62.300 0.105 0.000 1.036 159 V CB -0.425 31.450 31.823 0.086 0.000 0.654 159 V HN 0.363 nan 8.190 nan 0.000 0.451 160 L N 0.078 121.382 121.223 0.135 0.000 2.141 160 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 160 L C 2.298 179.322 176.870 0.256 0.000 1.094 160 L CA 2.029 56.952 54.840 0.139 0.000 0.763 160 L CB -0.488 41.621 42.059 0.084 0.000 0.908 160 L HN 0.347 nan 8.230 nan 0.000 0.437 161 E N -1.121 119.230 120.200 0.252 0.000 2.072 161 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 161 E C 2.077 178.777 176.600 0.165 0.000 0.985 161 E CA 1.450 57.988 56.400 0.229 0.000 0.801 161 E CB -0.145 29.667 29.700 0.186 0.000 0.750 161 E HN 0.656 nan 8.360 nan 0.000 0.452 162 H N -0.405 118.745 119.070 0.133 0.000 2.457 162 H HA -0.000 4.556 4.556 -0.000 0.000 0.294 162 H C 1.895 177.277 175.328 0.090 0.000 1.064 162 H CA 1.120 57.224 56.048 0.093 0.000 1.330 162 H CB 0.081 29.876 29.762 0.054 0.000 1.395 162 H HN 0.137 nan 8.280 nan 0.000 0.541 163 L N 0.125 121.472 121.223 0.207 0.000 2.012 163 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 163 L C 1.688 178.597 176.870 0.065 0.000 1.073 163 L CA 1.963 56.866 54.840 0.105 0.000 0.748 163 L CB -0.367 41.728 42.059 0.059 0.000 0.891 163 L HN 0.456 nan 8.230 nan 0.000 0.431 164 H N -1.605 117.556 119.070 0.152 0.000 2.387 164 H HA -0.158 4.398 4.556 0.000 0.000 0.299 164 H C 2.554 177.987 175.328 0.176 0.000 1.090 164 H CA 1.675 57.862 56.048 0.231 0.000 1.332 164 H CB -0.019 29.859 29.762 0.193 0.000 1.386 164 H HN 0.298 nan 8.280 nan 0.000 0.516 165 S N -0.861 114.967 115.700 0.214 0.000 2.359 165 S HA -0.225 4.245 4.470 -0.000 0.000 0.224 165 S C 2.344 176.991 174.600 0.079 0.000 1.035 165 S CA 1.972 60.239 58.200 0.112 0.000 1.018 165 S CB -0.471 62.754 63.200 0.042 0.000 0.876 165 S HN 0.524 nan 8.310 nan 0.000 0.448 166 T N 0.277 114.862 114.554 0.051 0.000 2.976 166 T HA 0.299 4.649 4.350 -0.000 0.000 0.257 166 T C 1.846 176.454 174.700 -0.153 0.000 1.051 166 T CA 1.170 63.254 62.100 -0.026 0.000 1.141 166 T CB -0.574 68.286 68.868 -0.015 0.000 0.881 166 T HN 0.445 nan 8.240 nan 0.000 0.461 167 A N 0.058 122.739 122.820 -0.233 0.000 1.933 167 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 167 A C 1.346 178.526 177.584 -0.674 0.000 1.175 167 A CA 1.125 52.784 52.037 -0.630 0.000 0.628 167 A CB -0.605 18.016 19.000 -0.631 0.000 0.814 167 A HN 0.632 nan 8.150 nan 0.000 0.444 168 F N 0.332 120.254 119.950 -0.047 0.000 2.805 168 F HA 0.166 4.693 4.527 0.000 0.000 0.317 168 F C 0.665 176.458 175.800 -0.012 0.000 1.146 168 F CA -0.748 57.256 58.000 0.006 0.000 1.265 168 F CB 0.234 39.278 39.000 0.073 0.000 0.992 168 F HN 0.319 nan 8.300 nan 0.000 0.511 169 Q N 0.435 120.282 119.800 0.079 0.000 2.333 169 Q HA -0.048 4.292 4.340 -0.000 0.000 0.299 169 Q C 0.025 176.055 176.000 0.051 0.000 1.067 169 Q CA 0.279 56.110 55.803 0.046 0.000 0.943 169 Q CB 0.047 28.782 28.738 -0.005 0.000 1.233 169 Q HN 0.515 nan 8.270 nan 0.000 0.401 170 N N 0.857 119.578 118.700 0.035 0.000 2.738 170 N HA -0.161 4.579 4.740 -0.000 0.000 0.249 170 N C -1.274 174.263 175.510 0.045 0.000 1.047 170 N CA 0.826 53.894 53.050 0.029 0.000 0.707 170 N CB -0.693 37.810 38.487 0.025 0.000 0.937 170 N HN 0.767 nan 8.380 nan 0.000 0.545 171 T N -1.707 112.876 114.554 0.049 0.000 2.977 171 T HA 0.201 4.551 4.350 -0.000 0.000 0.345 171 T C -2.105 172.604 174.700 0.015 0.000 1.562 171 T CA -0.771 61.362 62.100 0.055 0.000 1.090 171 T CB 2.029 70.968 68.868 0.119 0.000 1.383 171 T HN -0.315 nan 8.240 nan 0.000 0.484 172 P HA -0.027 nan 4.420 nan 0.000 0.218 172 P C 1.407 178.630 177.300 -0.129 0.000 1.148 172 P CA 0.500 63.562 63.100 -0.065 0.000 0.822 172 P CB 0.187 31.851 31.700 -0.060 0.000 0.784 173 L N -0.514 120.585 121.223 -0.207 0.000 2.551 173 L HA -0.025 4.315 4.340 -0.000 0.000 0.228 173 L C 2.020 178.832 176.870 -0.098 0.000 1.153 173 L CA 1.589 56.224 54.840 -0.342 0.000 0.851 173 L CB -1.852 39.694 42.059 -0.856 0.000 0.959 173 L HN 0.074 nan 8.230 nan 0.000 0.451 174 S N -1.965 113.748 115.700 0.021 0.000 2.470 174 S HA 0.022 4.492 4.470 -0.000 0.000 0.225 174 S C 0.913 175.505 174.600 -0.014 0.000 1.006 174 S CA -0.215 58.036 58.200 0.084 0.000 0.934 174 S CB -0.138 63.115 63.200 0.089 0.000 0.778 174 S HN 0.081 nan 8.310 nan 0.000 0.517 175 L N 4.122 125.301 121.223 -0.074 0.000 2.410 175 L HA 0.416 4.756 4.340 -0.000 0.000 0.273 175 L C -2.140 174.646 176.870 -0.140 0.000 1.144 175 L CA -2.048 52.726 54.840 -0.109 0.000 0.863 175 L CB -0.251 41.738 42.059 -0.117 0.000 1.140 175 L HN 0.177 nan 8.230 nan 0.000 0.463 176 P HA 0.137 nan 4.420 nan 0.000 0.275 176 P C 0.663 177.856 177.300 -0.178 0.000 1.228 176 P CA -0.293 62.715 63.100 -0.154 0.000 0.786 176 P CB 0.590 32.212 31.700 -0.130 0.000 0.927 177 T N 0.635 115.064 114.554 -0.207 0.000 2.904 177 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 177 T C 1.437 176.012 174.700 -0.208 0.000 1.059 177 T CA 0.911 62.883 62.100 -0.214 0.000 1.137 177 T CB -0.462 68.268 68.868 -0.230 0.000 0.879 177 T HN 0.293 nan 8.240 nan 0.000 0.467 178 R N 1.427 121.782 120.500 -0.242 0.000 2.299 178 R HA 0.478 4.818 4.340 -0.000 0.000 0.197 178 R C 1.468 177.666 176.300 -0.171 0.000 0.971 178 R CA 0.445 56.404 56.100 -0.236 0.000 1.030 178 R CB -0.573 29.512 30.300 -0.357 0.000 0.932 178 R HN 0.636 nan 8.270 nan 0.000 0.477 179 G N 0.324 109.030 108.800 -0.156 0.000 2.846 179 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.660 179 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.660 179 G C -0.148 174.694 174.900 -0.097 0.000 1.464 179 G CA -0.290 44.734 45.100 -0.127 0.000 0.891 179 G HN 0.298 nan 8.290 nan 0.000 0.552 180 T N -1.275 113.230 114.554 -0.083 0.000 2.928 180 T HA 0.631 4.981 4.350 -0.000 0.000 0.284 180 T C 1.868 176.545 174.700 -0.039 0.000 1.008 180 T CA -0.135 61.933 62.100 -0.054 0.000 1.057 180 T CB 1.525 70.358 68.868 -0.059 0.000 1.018 180 T HN 0.868 nan 8.240 nan 0.000 0.493 181 L N 0.772 121.984 121.223 -0.017 0.000 2.187 181 L HA -0.115 4.225 4.340 -0.000 0.000 0.213 181 L C 2.574 179.436 176.870 -0.012 0.000 1.100 181 L CA 1.620 56.451 54.840 -0.014 0.000 0.765 181 L CB -0.345 41.715 42.059 0.001 0.000 0.904 181 L HN 0.816 nan 8.230 nan 0.000 0.437 182 E N -1.079 119.117 120.200 -0.007 0.000 2.190 182 E HA -0.101 4.249 4.350 -0.000 0.000 0.191 182 E C 2.192 178.802 176.600 0.016 0.000 0.978 182 E CA 1.044 57.450 56.400 0.009 0.000 0.839 182 E CB 0.122 29.834 29.700 0.020 0.000 0.787 182 E HN 0.430 nan 8.360 nan 0.000 0.473 183 S N 0.253 115.952 115.700 -0.002 0.000 2.436 183 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 183 S C 1.845 176.439 174.600 -0.010 0.000 1.014 183 S CA 0.324 58.527 58.200 0.005 0.000 0.950 183 S CB -0.062 63.116 63.200 -0.037 0.000 0.784 183 S HN 0.022 nan 8.310 nan 0.000 0.504 184 L N 2.870 124.075 121.223 -0.031 0.000 2.023 184 L HA 0.030 4.370 4.340 -0.000 0.000 0.205 184 L C 2.739 179.585 176.870 -0.040 0.000 1.073 184 L CA 2.062 56.873 54.840 -0.049 0.000 0.745 184 L CB -0.825 41.195 42.059 -0.065 0.000 0.900 184 L HN 0.601 nan 8.230 nan 0.000 0.435 185 E N -1.606 118.578 120.200 -0.027 0.000 2.478 185 E HA -0.186 4.164 4.350 -0.000 0.000 0.198 185 E C 1.250 177.852 176.600 0.003 0.000 1.046 185 E CA 0.793 57.179 56.400 -0.022 0.000 0.870 185 E CB -0.472 29.218 29.700 -0.017 0.000 0.818 185 E HN 0.510 nan 8.360 nan 0.000 0.527 186 N N 0.578 119.288 118.700 0.016 0.000 2.238 186 N HA 0.061 4.801 4.740 -0.000 0.000 0.222 186 N C -0.714 174.822 175.510 0.043 0.000 1.133 186 N CA -0.282 52.788 53.050 0.032 0.000 0.854 186 N CB 0.389 38.900 38.487 0.040 0.000 1.041 186 N HN 0.072 nan 8.380 nan 0.000 0.510 187 L N 1.791 123.044 121.223 0.051 0.000 2.312 187 L HA 0.357 4.697 4.340 -0.000 0.000 0.281 187 L C 0.069 177.043 176.870 0.174 0.000 1.070 187 L CA -0.475 54.412 54.840 0.078 0.000 0.805 187 L CB 1.479 43.569 42.059 0.053 0.000 1.174 187 L HN -0.075 nan 8.230 nan 0.000 0.434 188 V N 2.209 122.179 119.914 0.092 0.000 3.158 188 V HA 0.487 4.607 4.120 -0.000 0.000 0.315 188 V C 0.913 176.837 176.094 -0.284 0.000 1.148 188 V CA -0.706 61.582 62.300 -0.020 0.000 1.042 188 V CB 1.393 33.175 31.823 -0.068 0.000 1.101 188 V HN 0.461 nan 8.190 nan 0.000 0.448 189 V N 0.897 120.406 119.914 -0.675 0.000 2.469 189 V HA -0.206 3.914 4.120 -0.000 0.000 0.251 189 V C 2.869 178.758 176.094 -0.341 0.000 1.064 189 V CA 2.786 64.648 62.300 -0.731 0.000 1.066 189 V CB -1.376 30.044 31.823 -0.672 0.000 0.667 189 V HN 1.135 nan 8.190 nan 0.000 0.461 190 A N -0.562 122.128 122.820 -0.217 0.000 2.067 190 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 190 A C 1.997 179.545 177.584 -0.060 0.000 1.158 190 A CA 1.596 53.566 52.037 -0.112 0.000 0.661 190 A CB -0.380 18.571 19.000 -0.081 0.000 0.801 190 A HN 0.557 nan 8.150 nan 0.000 0.452 191 D N 0.066 120.427 120.400 -0.065 0.000 2.137 191 D HA -0.078 4.562 4.640 -0.000 0.000 0.202 191 D C 1.970 178.283 176.300 0.021 0.000 0.970 191 D CA 0.625 54.622 54.000 -0.005 0.000 0.837 191 D CB -0.178 40.617 40.800 -0.008 0.000 0.981 191 D HN 0.239 nan 8.370 nan 0.000 0.475 192 L N 1.318 122.482 121.223 -0.099 0.000 1.990 192 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 192 L C 2.359 179.353 176.870 0.207 0.000 1.072 192 L CA 1.627 56.364 54.840 -0.172 0.000 0.755 192 L CB -1.101 40.561 42.059 -0.662 0.000 0.889 192 L HN 0.106 nan 8.230 nan 0.000 0.432 193 E N -0.464 119.785 120.200 0.081 0.000 2.023 193 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 193 E C 2.340 178.996 176.600 0.093 0.000 1.003 193 E CA 1.703 58.175 56.400 0.119 0.000 0.809 193 E CB 0.045 29.756 29.700 0.019 0.000 0.755 193 E HN 0.291 nan 8.360 nan 0.000 0.449 194 S N -0.209 115.533 115.700 0.071 0.000 2.383 194 S HA -0.165 4.304 4.470 -0.000 0.000 0.229 194 S C 1.539 176.178 174.600 0.065 0.000 1.030 194 S CA 0.937 59.166 58.200 0.049 0.000 1.002 194 S CB -0.290 62.943 63.200 0.055 0.000 0.829 194 S HN 0.291 nan 8.310 nan 0.000 0.467 195 F N 2.090 122.050 119.950 0.017 0.000 2.084 195 F HA -0.054 4.473 4.527 -0.000 0.000 0.296 195 F C 2.329 178.016 175.800 -0.188 0.000 1.111 195 F CA 1.173 59.200 58.000 0.046 0.000 1.224 195 F CB -0.598 38.467 39.000 0.109 0.000 0.991 195 F HN 0.186 nan 8.300 nan 0.000 0.471 196 A N 0.176 122.878 122.820 -0.198 0.000 1.978 196 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 196 A C 1.906 179.213 177.584 -0.461 0.000 1.170 196 A CA 1.936 53.486 52.037 -0.813 0.000 0.636 196 A CB -0.872 17.879 19.000 -0.414 0.000 0.810 196 A HN 0.532 nan 8.150 nan 0.000 0.448 197 N N -0.549 118.006 118.700 -0.241 0.000 2.463 197 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 197 N C 0.649 176.009 175.510 -0.249 0.000 1.078 197 N CA 0.867 53.812 53.050 -0.174 0.000 0.902 197 N CB -0.124 38.306 38.487 -0.095 0.000 0.970 197 N HN 0.602 nan 8.380 nan 0.000 0.451 198 N N -1.263 117.185 118.700 -0.420 0.000 2.227 198 N HA 0.108 4.848 4.740 -0.000 0.000 0.196 198 N C 0.727 175.698 175.510 -0.899 0.000 1.142 198 N CA 0.230 52.914 53.050 -0.610 0.000 0.887 198 N CB 0.509 38.585 38.487 -0.684 0.000 1.022 198 N HN 0.218 nan 8.380 nan 0.000 0.500 199 H N -1.671 117.120 119.070 -0.466 0.000 3.436 199 H HA 0.229 4.785 4.556 -0.000 0.000 0.244 199 H C 0.034 175.228 175.328 -0.223 0.000 1.009 199 H CA -0.079 55.717 56.048 -0.420 0.000 1.129 199 H CB 0.254 29.529 29.762 -0.811 0.000 1.473 199 H HN 0.132 nan 8.280 nan 0.000 0.510 200 F N 2.616 122.240 119.950 -0.543 0.000 2.869 200 F HA 0.152 4.679 4.527 -0.000 0.000 0.298 200 F C 0.501 176.177 175.800 -0.207 0.000 1.235 200 F CA -0.249 57.288 58.000 -0.771 0.000 1.402 200 F CB -0.153 38.400 39.000 -0.746 0.000 1.142 200 F HN -0.159 nan 8.300 nan 0.000 0.529 201 L N -0.549 120.723 121.223 0.081 0.000 2.488 201 L HA 0.196 4.536 4.340 -0.000 0.000 0.249 201 L C 1.410 178.367 176.870 0.145 0.000 1.151 201 L CA -0.422 54.467 54.840 0.082 0.000 0.806 201 L CB 0.349 42.413 42.059 0.008 0.000 1.261 201 L HN -0.014 nan 8.230 nan 0.000 0.484 202 N N -0.251 118.498 118.700 0.082 0.000 2.207 202 N HA -0.139 4.601 4.740 -0.000 0.000 0.182 202 N C 1.638 177.179 175.510 0.052 0.000 1.020 202 N CA 1.399 54.486 53.050 0.062 0.000 0.858 202 N CB 0.102 38.608 38.487 0.032 0.000 0.991 202 N HN 0.628 nan 8.380 nan 0.000 0.427 203 S N -1.442 114.285 115.700 0.045 0.000 2.555 203 S HA 0.019 4.489 4.470 -0.000 0.000 0.230 203 S C 1.056 175.692 174.600 0.059 0.000 0.978 203 S CA 0.411 58.633 58.200 0.038 0.000 0.934 203 S CB -0.261 62.953 63.200 0.025 0.000 0.766 203 S HN 0.319 nan 8.310 nan 0.000 0.533 204 N N 1.154 119.915 118.700 0.101 0.000 2.401 204 N HA 0.533 5.273 4.740 -0.000 0.000 0.264 204 N C -0.652 174.996 175.510 0.230 0.000 1.238 204 N CA -0.013 53.130 53.050 0.154 0.000 0.889 204 N CB 0.729 39.319 38.487 0.172 0.000 1.196 204 N HN 0.473 nan 8.380 nan 0.000 0.511 205 A N -0.546 122.341 122.820 0.112 0.000 2.498 205 A HA 0.790 5.110 4.320 -0.000 0.000 0.298 205 A C -1.353 176.165 177.584 -0.109 0.000 1.075 205 A CA -0.541 51.478 52.037 -0.029 0.000 0.714 205 A CB 1.678 20.644 19.000 -0.056 0.000 1.299 205 A HN 0.011 nan 8.150 nan 0.000 0.407 206 V N 1.110 120.896 119.914 -0.214 0.000 2.733 206 V HA 0.518 4.638 4.120 -0.000 0.000 0.306 206 V C -0.595 175.356 176.094 -0.239 0.000 1.084 206 V CA -0.644 61.550 62.300 -0.177 0.000 0.905 206 V CB 1.736 33.474 31.823 -0.143 0.000 1.010 206 V HN 1.089 nan 8.190 nan 0.000 0.424 207 V N 6.646 126.453 119.914 -0.180 0.000 2.407 207 V HA 0.730 4.850 4.120 -0.000 0.000 0.278 207 V C -0.622 175.402 176.094 -0.117 0.000 1.037 207 V CA 0.113 62.309 62.300 -0.173 0.000 0.900 207 V CB 1.666 33.406 31.823 -0.138 0.000 0.983 207 V HN 0.641 nan 8.190 nan 0.000 0.459 208 V N 5.949 125.791 119.914 -0.120 0.000 2.604 208 V HA 0.846 4.966 4.120 -0.000 0.000 0.305 208 V C 0.526 176.587 176.094 -0.055 0.000 1.043 208 V CA 0.054 62.300 62.300 -0.089 0.000 0.888 208 V CB 1.787 33.539 31.823 -0.119 0.000 0.995 208 V HN 1.092 nan 8.190 nan 0.000 0.429 209 G N 2.086 110.870 108.800 -0.027 0.000 2.683 209 G HA2 0.683 4.643 3.960 -0.000 0.000 0.299 209 G HA3 0.683 4.643 3.960 -0.000 0.000 0.299 209 G C -0.471 174.431 174.900 0.003 0.000 1.432 209 G CA -0.238 44.860 45.100 -0.005 0.000 0.978 209 G HN 0.808 nan 8.290 nan 0.000 0.513 210 T N -0.795 113.759 114.554 0.002 0.000 2.907 210 T HA 0.926 5.276 4.350 -0.000 0.000 0.290 210 T C 0.738 175.454 174.700 0.027 0.000 1.066 210 T CA 0.221 62.327 62.100 0.010 0.000 1.012 210 T CB 2.257 71.117 68.868 -0.014 0.000 1.184 210 T HN 2.084 nan 8.240 nan 0.000 0.522 211 G N 1.731 110.555 108.800 0.040 0.000 1.844 211 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.177 211 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.177 211 G C 0.057 175.001 174.900 0.075 0.000 1.010 211 G CA 0.538 45.668 45.100 0.050 0.000 1.257 211 G HN 1.354 nan 8.290 nan 0.000 0.428 212 N N 0.461 119.205 118.700 0.072 0.000 2.011 212 N HA 0.192 4.932 4.740 -0.000 0.000 0.228 212 N C 0.697 176.217 175.510 0.016 0.000 1.378 212 N CA 0.764 53.872 53.050 0.097 0.000 0.852 212 N CB 0.207 38.731 38.487 0.063 0.000 1.111 212 N HN 1.099 nan 8.380 nan 0.000 0.497 213 I N 0.346 120.910 120.570 -0.009 0.000 2.588 213 I HA 0.280 4.450 4.170 -0.000 0.000 0.283 213 I C 0.479 176.514 176.117 -0.136 0.000 1.119 213 I CA -0.651 60.604 61.300 -0.076 0.000 1.419 213 I CB 0.441 38.422 38.000 -0.032 0.000 1.394 213 I HN -0.162 nan 8.210 nan 0.000 0.562 214 K N 2.714 122.974 120.400 -0.234 0.000 2.187 214 K HA 0.026 4.346 4.320 -0.000 0.000 0.247 214 K C 0.782 177.377 176.600 -0.007 0.000 1.019 214 K CA -0.239 55.906 56.287 -0.237 0.000 0.893 214 K CB 0.260 32.635 32.500 -0.208 0.000 1.025 214 K HN 0.698 nan 8.250 nan 0.000 0.500 215 H N 1.494 120.541 119.070 -0.037 0.000 2.326 215 H HA -0.068 4.488 4.556 -0.000 0.000 0.301 215 H C 0.906 176.218 175.328 -0.027 0.000 1.081 215 H CA 1.901 57.942 56.048 -0.012 0.000 1.334 215 H CB 0.316 30.086 29.762 0.013 0.000 1.385 215 H HN 0.640 nan 8.280 nan 0.000 0.504 216 E N -0.377 119.768 120.200 -0.093 0.000 2.427 216 E HA -0.093 4.257 4.350 -0.000 0.000 0.196 216 E C 1.525 178.057 176.600 -0.113 0.000 1.028 216 E CA 0.525 56.834 56.400 -0.152 0.000 0.864 216 E CB 0.189 29.843 29.700 -0.076 0.000 0.813 216 E HN 0.526 nan 8.360 nan 0.000 0.514 217 D N -0.007 120.339 120.400 -0.089 0.000 2.234 217 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 217 D C 1.657 177.916 176.300 -0.069 0.000 0.962 217 D CA 0.597 54.553 54.000 -0.074 0.000 0.855 217 D CB 0.401 41.156 40.800 -0.075 0.000 0.951 217 D HN 0.178 nan 8.370 nan 0.000 0.500 218 L N -0.130 121.046 121.223 -0.078 0.000 2.362 218 L HA 0.064 4.404 4.340 -0.000 0.000 0.204 218 L C 2.136 178.949 176.870 -0.095 0.000 1.060 218 L CA 0.441 55.243 54.840 -0.063 0.000 0.827 218 L CB -0.126 41.916 42.059 -0.028 0.000 1.027 218 L HN -0.203 nan 8.230 nan 0.000 0.474 219 V N 0.412 120.220 119.914 -0.176 0.000 2.720 219 V HA -0.204 3.916 4.120 -0.000 0.000 0.256 219 V C 2.012 178.026 176.094 -0.134 0.000 1.082 219 V CA 1.858 64.037 62.300 -0.201 0.000 1.101 219 V CB -0.564 31.010 31.823 -0.414 0.000 0.693 219 V HN 0.562 nan 8.190 nan 0.000 0.479 220 N N -0.080 118.550 118.700 -0.116 0.000 2.290 220 N HA -0.042 4.698 4.740 -0.000 0.000 0.179 220 N C 1.933 177.410 175.510 -0.055 0.000 1.016 220 N CA 1.546 54.550 53.050 -0.078 0.000 0.871 220 N CB -0.273 38.172 38.487 -0.070 0.000 0.987 220 N HN 0.410 nan 8.380 nan 0.000 0.431 221 S N 0.627 116.296 115.700 -0.051 0.000 2.474 221 S HA 0.116 4.586 4.470 -0.000 0.000 0.235 221 S C 1.915 176.498 174.600 -0.030 0.000 0.997 221 S CA 0.407 58.587 58.200 -0.033 0.000 0.949 221 S CB 0.076 63.260 63.200 -0.027 0.000 0.766 221 S HN 0.272 nan 8.310 nan 0.000 0.517 222 I N 0.723 121.269 120.570 -0.041 0.000 2.429 222 I HA 0.007 4.177 4.170 -0.000 0.000 0.247 222 I C 2.354 178.451 176.117 -0.033 0.000 1.099 222 I CA 0.855 62.133 61.300 -0.037 0.000 1.422 222 I CB -0.042 37.930 38.000 -0.047 0.000 1.112 222 I HN 0.197 nan 8.210 nan 0.000 0.430 223 E N 0.290 120.465 120.200 -0.041 0.000 2.511 223 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 223 E C 2.059 178.644 176.600 -0.026 0.000 1.066 223 E CA 0.329 56.708 56.400 -0.034 0.000 0.871 223 E CB 0.203 29.878 29.700 -0.041 0.000 0.863 223 E HN 0.297 nan 8.360 nan 0.000 0.520 224 S N 0.505 116.190 115.700 -0.025 0.000 2.349 224 S HA -0.126 4.344 4.470 -0.000 0.000 0.216 224 S C 0.478 175.070 174.600 -0.012 0.000 1.033 224 S CA 0.976 59.165 58.200 -0.018 0.000 1.021 224 S CB 0.043 63.233 63.200 -0.016 0.000 0.968 224 S HN 0.031 nan 8.310 nan 0.000 0.426 225 K N 2.280 122.674 120.400 -0.010 0.000 2.234 225 K HA 0.336 4.656 4.320 -0.000 0.000 0.282 225 K C 0.542 177.138 176.600 -0.007 0.000 1.039 225 K CA -0.231 56.053 56.287 -0.005 0.000 0.928 225 K CB 0.800 33.300 32.500 -0.001 0.000 1.039 225 K HN 0.322 nan 8.250 nan 0.000 0.470 226 N N 1.489 120.187 118.700 -0.005 0.000 2.440 226 N HA 0.290 5.030 4.740 -0.000 0.000 0.264 226 N C -0.609 174.901 175.510 -0.000 0.000 1.328 226 N CA -0.525 52.522 53.050 -0.004 0.000 0.882 226 N CB 0.138 38.623 38.487 -0.004 0.000 1.122 226 N HN 0.311 nan 8.380 nan 0.000 0.422 227 L N 0.541 121.764 121.223 0.001 0.000 2.912 227 L HA -0.212 4.128 4.340 -0.000 0.000 0.582 227 L C 0.576 177.450 176.870 0.007 0.000 1.001 227 L CA -0.056 54.786 54.840 0.005 0.000 1.305 227 L CB -0.361 41.703 42.059 0.007 0.000 1.620 227 L HN 0.425 nan 8.230 nan 0.000 0.785 228 S N 3.929 119.633 115.700 0.007 0.000 2.388 228 S HA 0.227 4.697 4.470 -0.000 0.000 0.223 228 S C 0.463 175.072 174.600 0.016 0.000 1.034 228 S CA 0.460 58.665 58.200 0.008 0.000 0.963 228 S CB 0.058 63.262 63.200 0.006 0.000 0.827 228 S HN 0.685 nan 8.310 nan 0.000 0.481 229 L N 2.055 123.288 121.223 0.017 0.000 2.975 229 L HA -0.189 4.151 4.340 -0.000 0.000 0.628 229 L C -0.121 176.763 176.870 0.023 0.000 1.006 229 L CA 0.547 55.400 54.840 0.023 0.000 1.321 229 L CB -1.513 40.568 42.059 0.036 0.000 1.705 229 L HN 0.653 nan 8.230 nan 0.000 0.822 230 Q N 0.428 120.236 119.800 0.012 0.000 2.475 230 Q HA -0.211 4.129 4.340 -0.000 0.000 0.280 230 Q C 0.499 176.502 176.000 0.005 0.000 1.234 230 Q CA 1.442 57.248 55.803 0.005 0.000 0.873 230 Q CB -0.770 27.970 28.738 0.003 0.000 1.256 230 Q HN 0.766 nan 8.270 nan 0.000 0.475 231 T N -1.953 112.605 114.554 0.006 0.000 2.897 231 T HA 0.452 4.802 4.350 -0.000 0.000 0.294 231 T C 1.260 175.960 174.700 0.000 0.000 1.004 231 T CA 1.339 63.442 62.100 0.005 0.000 1.106 231 T CB 1.053 69.924 68.868 0.006 0.000 0.949 231 T HN 0.747 nan 8.240 nan 0.000 0.520 232 G N 3.143 111.943 108.800 -0.000 0.000 2.213 232 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.226 232 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.226 232 G C 0.250 175.145 174.900 -0.009 0.000 0.992 232 G CA 0.152 45.249 45.100 -0.004 0.000 0.632 232 G HN 0.928 nan 8.290 nan 0.000 0.511 233 T N 2.819 117.365 114.554 -0.013 0.000 2.780 233 T HA 0.539 4.889 4.350 -0.000 0.000 0.294 233 T C 0.362 175.044 174.700 -0.029 0.000 0.949 233 T CA -0.113 61.971 62.100 -0.027 0.000 1.074 233 T CB 1.612 70.457 68.868 -0.039 0.000 0.910 233 T HN 0.438 nan 8.240 nan 0.000 0.501 234 K N 3.682 124.063 120.400 -0.033 0.000 2.090 234 K HA 0.438 4.758 4.320 -0.000 0.000 0.249 234 K C -1.916 174.643 176.600 -0.068 0.000 0.995 234 K CA -1.921 54.347 56.287 -0.031 0.000 0.914 234 K CB 0.380 32.871 32.500 -0.016 0.000 1.057 234 K HN 0.345 nan 8.250 nan 0.000 0.462 235 P HA 0.052 nan 4.420 nan 0.000 0.323 235 P C -0.493 176.755 177.300 -0.087 0.000 1.319 235 P CA -0.320 62.701 63.100 -0.132 0.000 0.741 235 P CB 0.322 32.004 31.700 -0.031 0.000 1.545 236 V N 0.254 120.136 119.914 -0.053 0.000 2.495 236 V HA 0.226 4.346 4.120 -0.000 0.000 0.298 236 V C 0.765 176.888 176.094 0.048 0.000 1.031 236 V CA -0.881 61.419 62.300 -0.001 0.000 0.871 236 V CB 1.330 33.154 31.823 0.003 0.000 0.988 236 V HN 0.308 nan 8.190 nan 0.000 0.432 237 L N 3.794 125.039 121.223 0.037 0.000 2.479 237 L HA 0.487 4.827 4.340 -0.000 0.000 0.248 237 L C 0.345 177.245 176.870 0.050 0.000 1.205 237 L CA 0.100 54.967 54.840 0.044 0.000 0.817 237 L CB 1.031 43.110 42.059 0.034 0.000 1.162 237 L HN 0.927 nan 8.230 nan 0.000 0.486 238 K N 0.132 120.561 120.400 0.048 0.000 1.740 238 K HA 0.516 4.836 4.320 -0.000 0.000 0.273 238 K C -1.106 175.520 176.600 0.043 0.000 0.796 238 K CA -0.868 55.447 56.287 0.047 0.000 0.535 238 K CB 0.905 33.434 32.500 0.049 0.000 2.513 238 K HN 0.198 nan 8.250 nan 0.000 0.873 239 K N 0.913 121.338 120.400 0.042 0.000 2.464 239 K HA 0.318 4.638 4.320 -0.000 0.000 0.253 239 K C -1.347 175.279 176.600 0.044 0.000 0.933 239 K CA -0.767 55.546 56.287 0.043 0.000 0.801 239 K CB 1.461 33.987 32.500 0.043 0.000 1.271 239 K HN 0.525 nan 8.250 nan 0.000 0.430 240 K N 1.164 121.595 120.400 0.051 0.000 2.355 240 K HA 0.305 4.625 4.320 -0.000 0.000 0.270 240 K C -0.135 176.504 176.600 0.066 0.000 1.003 240 K CA -0.411 55.910 56.287 0.057 0.000 0.957 240 K CB 0.547 33.088 32.500 0.067 0.000 0.939 240 K HN 0.533 nan 8.250 nan 0.000 0.482 241 A N 1.222 124.075 122.820 0.055 0.000 2.425 241 A HA 0.570 4.890 4.320 -0.000 0.000 0.249 241 A C -0.281 177.413 177.584 0.183 0.000 1.084 241 A CA -0.021 52.055 52.037 0.066 0.000 0.781 241 A CB -0.003 18.949 19.000 -0.079 0.000 1.019 241 A HN 0.827 nan 8.150 nan 0.000 0.490 242 A N 1.501 124.499 122.820 0.297 0.000 2.486 242 A HA 0.620 4.940 4.320 -0.000 0.000 0.300 242 A C -0.886 176.988 177.584 0.484 0.000 1.048 242 A CA -0.489 51.760 52.037 0.353 0.000 0.696 242 A CB 0.757 19.886 19.000 0.215 0.000 1.278 242 A HN 1.190 nan 8.150 nan 0.000 0.405 243 F N 2.181 122.295 119.950 0.273 0.000 2.427 243 F HA 0.586 5.113 4.527 -0.000 0.000 0.352 243 F C -0.476 175.340 175.800 0.027 0.000 1.100 243 F CA -0.401 57.627 58.000 0.047 0.000 1.191 243 F CB 0.906 39.919 39.000 0.022 0.000 1.128 243 F HN 0.471 nan 8.300 nan 0.000 0.533 244 L N 6.551 127.442 121.223 -0.552 0.000 2.343 244 L HA 0.583 4.923 4.340 -0.000 0.000 0.278 244 L C -0.051 176.448 176.870 -0.619 0.000 0.996 244 L CA -0.315 54.303 54.840 -0.369 0.000 0.831 244 L CB 1.397 43.337 42.059 -0.199 0.000 1.232 244 L HN 0.693 nan 8.230 nan 0.000 0.413 245 G N 3.443 112.079 108.800 -0.273 0.000 2.299 245 G HA2 0.454 4.414 3.960 -0.000 0.000 0.256 245 G HA3 0.454 4.414 3.960 -0.000 0.000 0.256 245 G C -0.292 174.500 174.900 -0.179 0.000 1.259 245 G CA 0.696 45.748 45.100 -0.079 0.000 0.943 245 G HN 1.006 nan 8.290 nan 0.000 0.479 246 S N 1.172 116.781 115.700 -0.151 0.000 2.669 246 S HA 0.704 5.174 4.470 -0.000 0.000 0.266 246 S C -1.084 173.489 174.600 -0.046 0.000 1.149 246 S CA -0.790 57.266 58.200 -0.240 0.000 0.842 246 S CB 1.759 64.829 63.200 -0.217 0.000 1.160 246 S HN 1.067 nan 8.310 nan 0.000 0.487 247 E N -0.813 119.353 120.200 -0.057 0.000 2.392 247 E HA 0.727 5.077 4.350 -0.000 0.000 0.279 247 E C -1.838 174.766 176.600 0.007 0.000 0.964 247 E CA -1.217 55.207 56.400 0.040 0.000 0.777 247 E CB 2.126 31.903 29.700 0.128 0.000 1.249 247 E HN 0.870 nan 8.360 nan 0.000 0.449 248 V N 1.781 121.710 119.914 0.024 0.000 2.577 248 V HA 0.576 4.696 4.120 -0.000 0.000 0.303 248 V C -1.464 174.622 176.094 -0.014 0.000 1.042 248 V CA -0.542 61.761 62.300 0.005 0.000 0.872 248 V CB 1.522 33.361 31.823 0.027 0.000 0.998 248 V HN 0.713 nan 8.190 nan 0.000 0.423 249 R N 6.075 126.560 120.500 -0.025 0.000 2.337 249 R HA 0.549 4.889 4.340 -0.000 0.000 0.319 249 R C -0.798 175.470 176.300 -0.053 0.000 0.954 249 R CA -0.430 55.654 56.100 -0.026 0.000 0.840 249 R CB 1.524 31.821 30.300 -0.005 0.000 1.164 249 R HN 0.717 nan 8.270 nan 0.000 0.472 250 L N 3.120 124.296 121.223 -0.079 0.000 2.923 250 L HA 0.320 4.660 4.340 -0.000 0.000 0.231 250 L C 0.665 177.503 176.870 -0.054 0.000 1.300 250 L CA -0.286 54.494 54.840 -0.100 0.000 1.184 250 L CB -0.130 41.815 42.059 -0.190 0.000 1.511 250 L HN 0.300 nan 8.230 nan 0.000 0.448 251 R N 1.724 122.204 120.500 -0.032 0.000 2.537 251 R HA -0.006 4.334 4.340 -0.000 0.000 0.281 251 R C -0.679 175.611 176.300 -0.017 0.000 0.988 251 R CA 0.700 56.790 56.100 -0.017 0.000 1.077 251 R CB 0.379 30.671 30.300 -0.013 0.000 0.932 251 R HN 0.262 nan 8.270 nan 0.000 0.409 252 D N 2.696 123.090 120.400 -0.009 0.000 2.375 252 D HA 0.100 4.740 4.640 -0.000 0.000 0.241 252 D C -0.548 175.753 176.300 0.001 0.000 1.361 252 D CA -0.483 53.511 54.000 -0.009 0.000 0.995 252 D CB 1.016 41.802 40.800 -0.024 0.000 1.312 252 D HN 0.362 nan 8.370 nan 0.000 0.576 253 D N 1.172 121.572 120.400 -0.001 0.000 2.371 253 D HA -0.066 4.574 4.640 -0.000 0.000 0.221 253 D C 1.886 178.189 176.300 0.005 0.000 0.986 253 D CA 0.859 54.859 54.000 0.000 0.000 0.899 253 D CB 0.279 41.078 40.800 -0.003 0.000 0.902 253 D HN 0.537 nan 8.370 nan 0.000 0.530 254 T N -2.264 112.295 114.554 0.009 0.000 3.067 254 T HA 0.104 4.454 4.350 -0.000 0.000 0.257 254 T C 1.135 175.851 174.700 0.028 0.000 1.105 254 T CA -0.153 61.956 62.100 0.015 0.000 1.104 254 T CB 0.031 68.908 68.868 0.015 0.000 0.925 254 T HN -0.008 nan 8.240 nan 0.000 0.498 255 L N 2.735 123.977 121.223 0.032 0.000 2.426 255 L HA 0.273 4.613 4.340 -0.000 0.000 0.271 255 L C -1.084 175.829 176.870 0.072 0.000 1.169 255 L CA -1.889 52.996 54.840 0.075 0.000 0.836 255 L CB 0.685 42.801 42.059 0.095 0.000 1.112 255 L HN 0.011 nan 8.230 nan 0.000 0.465 256 P HA 0.042 nan 4.420 nan 0.000 0.249 256 P C -0.200 177.037 177.300 -0.104 0.000 1.229 256 P CA 0.813 63.920 63.100 0.012 0.000 0.788 256 P CB 0.514 32.241 31.700 0.044 0.000 1.072 257 K N -0.745 119.501 120.400 -0.257 0.000 2.399 257 K HA 0.735 5.055 4.320 -0.000 0.000 0.260 257 K C -0.981 175.276 176.600 -0.571 0.000 1.049 257 K CA -1.014 54.912 56.287 -0.601 0.000 0.890 257 K CB 2.294 34.078 32.500 -1.194 0.000 1.430 257 K HN -0.246 nan 8.250 nan 0.000 0.459 258 A N 0.892 123.384 122.820 -0.548 0.000 2.342 258 A HA 0.630 4.950 4.320 -0.000 0.000 0.323 258 A C -1.563 175.800 177.584 -0.368 0.000 1.125 258 A CA -0.620 51.248 52.037 -0.282 0.000 0.785 258 A CB 0.689 19.611 19.000 -0.130 0.000 1.221 258 A HN 0.547 nan 8.150 nan 0.000 0.463 259 W N 2.793 124.072 121.300 -0.036 0.000 2.538 259 W HA 0.536 5.196 4.660 0.000 0.000 0.322 259 W C -0.756 175.740 176.519 -0.038 0.000 1.028 259 W CA -0.446 56.888 57.345 -0.020 0.000 1.228 259 W CB 1.779 31.241 29.460 0.004 0.000 1.356 259 W HN 0.738 nan 8.180 nan 0.000 0.452 260 I N 0.771 121.406 120.570 0.110 0.000 2.828 260 I HA 0.748 4.918 4.170 -0.000 0.000 0.302 260 I C -0.808 175.272 176.117 -0.062 0.000 1.101 260 I CA -0.323 60.987 61.300 0.017 0.000 1.031 260 I CB 2.386 40.360 38.000 -0.044 0.000 1.231 260 I HN 0.008 nan 8.210 nan 0.000 0.427 261 S N 5.834 121.530 115.700 -0.007 0.000 2.536 261 S HA 0.817 5.287 4.470 -0.000 0.000 0.287 261 S C -1.199 173.456 174.600 0.092 0.000 1.101 261 S CA -0.623 57.595 58.200 0.030 0.000 0.950 261 S CB 1.717 65.015 63.200 0.164 0.000 1.056 261 S HN 0.765 nan 8.310 nan 0.000 0.481 262 L N 2.138 123.466 121.223 0.175 0.000 2.493 262 L HA 0.870 5.210 4.340 -0.000 0.000 0.265 262 L C -1.309 175.816 176.870 0.424 0.000 0.954 262 L CA -0.190 54.824 54.840 0.289 0.000 0.844 262 L CB 1.520 43.764 42.059 0.309 0.000 1.302 262 L HN 0.867 nan 8.230 nan 0.000 0.405 263 A N 3.461 126.526 122.820 0.409 0.000 2.594 263 A HA 0.773 5.093 4.320 -0.000 0.000 0.295 263 A C -1.222 176.594 177.584 0.386 0.000 1.071 263 A CA -0.279 52.004 52.037 0.410 0.000 0.685 263 A CB 1.813 21.072 19.000 0.432 0.000 1.285 263 A HN 0.822 nan 8.150 nan 0.000 0.405 264 V N -1.078 118.994 119.914 0.264 0.000 3.211 264 V HA 0.684 4.804 4.120 -0.000 0.000 0.319 264 V C 0.354 176.221 176.094 -0.378 0.000 1.096 264 V CA -0.724 61.537 62.300 -0.065 0.000 1.029 264 V CB 1.274 33.058 31.823 -0.065 0.000 1.137 264 V HN 1.003 nan 8.190 nan 0.000 0.453 265 E N 0.825 120.401 120.200 -1.040 0.000 2.406 265 E HA 0.366 4.716 4.350 -0.000 0.000 0.258 265 E C 0.521 177.049 176.600 -0.120 0.000 1.043 265 E CA 0.481 56.481 56.400 -0.666 0.000 0.929 265 E CB 0.374 29.676 29.700 -0.663 0.000 0.969 265 E HN 1.003 nan 8.360 nan 0.000 0.462 266 G N 3.991 112.882 108.800 0.150 0.000 2.714 266 G HA2 0.149 4.109 3.960 -0.000 0.000 0.197 266 G HA3 0.149 4.109 3.960 -0.000 0.000 0.197 266 G C -0.472 174.595 174.900 0.278 0.000 1.449 266 G CA -0.424 44.854 45.100 0.298 0.000 1.065 266 G HN 0.542 nan 8.290 nan 0.000 0.575 267 E N 1.215 121.594 120.200 0.299 0.000 2.179 267 E HA 0.348 4.698 4.350 -0.000 0.000 0.275 267 E C -2.318 174.426 176.600 0.241 0.000 0.945 267 E CA -1.808 54.745 56.400 0.256 0.000 0.792 267 E CB 2.083 31.922 29.700 0.233 0.000 1.125 267 E HN 0.192 nan 8.360 nan 0.000 0.397 268 P HA 0.015 nan 4.420 nan 0.000 0.274 268 P C 0.210 177.637 177.300 0.213 0.000 1.237 268 P CA -0.442 62.783 63.100 0.207 0.000 0.793 268 P CB 0.565 32.369 31.700 0.174 0.000 0.977 269 V N -1.608 118.401 119.914 0.159 0.000 2.788 269 V HA 0.112 4.232 4.120 -0.000 0.000 0.307 269 V C 0.740 176.814 176.094 -0.032 0.000 1.069 269 V CA -0.025 62.280 62.300 0.008 0.000 1.173 269 V CB -1.117 30.670 31.823 -0.060 0.000 0.925 269 V HN 0.707 nan 8.190 nan 0.000 0.492 270 N N 0.660 119.273 118.700 -0.145 0.000 2.818 270 N HA -0.177 4.563 4.740 -0.000 0.000 0.250 270 N C 0.086 175.619 175.510 0.039 0.000 1.108 270 N CA 1.304 54.322 53.050 -0.054 0.000 0.745 270 N CB -1.448 37.024 38.487 -0.025 0.000 1.104 270 N HN 1.230 nan 8.380 nan 0.000 0.557 271 S N -0.353 115.404 115.700 0.096 0.000 2.562 271 S HA 0.508 4.978 4.470 -0.000 0.000 0.275 271 S C -1.102 173.587 174.600 0.147 0.000 1.281 271 S CA -1.373 56.911 58.200 0.140 0.000 1.045 271 S CB 1.162 64.475 63.200 0.189 0.000 0.962 271 S HN -0.028 nan 8.310 nan 0.000 0.503 272 P HA -0.069 nan 4.420 nan 0.000 0.216 272 P C -0.010 177.382 177.300 0.153 0.000 1.150 272 P CA 1.384 64.565 63.100 0.135 0.000 0.843 272 P CB -0.067 31.700 31.700 0.111 0.000 0.787 273 N N -2.540 116.250 118.700 0.151 0.000 2.295 273 N HA 0.023 4.763 4.740 -0.000 0.000 0.221 273 N C 1.028 176.537 175.510 -0.001 0.000 1.129 273 N CA -0.321 52.780 53.050 0.085 0.000 0.836 273 N CB -0.517 38.085 38.487 0.192 0.000 1.040 273 N HN 0.102 nan 8.380 nan 0.000 0.494 274 Y N 0.287 120.547 120.300 -0.066 0.000 2.151 274 Y HA -0.267 4.283 4.550 0.000 0.000 0.284 274 Y C 1.081 176.770 175.900 -0.353 0.000 1.166 274 Y CA 1.798 59.767 58.100 -0.217 0.000 1.163 274 Y CB -0.112 38.151 38.460 -0.328 0.000 0.974 274 Y HN 0.106 nan 8.280 nan 0.000 0.511 275 F N -1.975 117.953 119.950 -0.037 0.000 2.387 275 F HA -0.077 4.450 4.527 -0.000 0.000 0.294 275 F C 2.211 177.852 175.800 -0.265 0.000 1.093 275 F CA 0.812 58.733 58.000 -0.132 0.000 1.420 275 F CB -0.427 38.575 39.000 0.004 0.000 1.086 275 F HN -0.197 nan 8.300 nan 0.000 0.531 276 V N 0.222 120.042 119.914 -0.155 0.000 2.332 276 V HA -0.345 3.775 4.120 -0.000 0.000 0.248 276 V C 2.555 178.161 176.094 -0.814 0.000 1.055 276 V CA 1.903 63.962 62.300 -0.402 0.000 1.038 276 V CB -1.366 30.211 31.823 -0.410 0.000 0.651 276 V HN 0.359 nan 8.190 nan 0.000 0.450 277 A N -0.261 121.961 122.820 -0.997 0.000 1.877 277 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 277 A C 2.288 179.651 177.584 -0.368 0.000 1.186 277 A CA 2.178 53.573 52.037 -1.070 0.000 0.620 277 A CB -0.491 18.232 19.000 -0.461 0.000 0.822 277 A HN 0.477 nan 8.150 nan 0.000 0.443 278 K N -0.664 119.540 120.400 -0.326 0.000 2.147 278 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 278 K C 1.870 178.402 176.600 -0.113 0.000 1.049 278 K CA 1.157 57.326 56.287 -0.196 0.000 0.936 278 K CB -0.292 32.034 32.500 -0.290 0.000 0.722 278 K HN 0.513 nan 8.250 nan 0.000 0.446 279 L N -0.268 120.862 121.223 -0.155 0.000 2.044 279 L HA -0.092 4.248 4.340 -0.000 0.000 0.205 279 L C 2.131 178.918 176.870 -0.139 0.000 1.075 279 L CA 1.503 56.262 54.840 -0.135 0.000 0.747 279 L CB -0.393 41.579 42.059 -0.145 0.000 0.903 279 L HN 0.182 nan 8.230 nan 0.000 0.435 280 A N -0.020 122.694 122.820 -0.176 0.000 1.948 280 A HA -0.244 4.076 4.320 -0.000 0.000 0.220 280 A C 2.371 180.084 177.584 0.216 0.000 1.177 280 A CA 1.903 53.907 52.037 -0.055 0.000 0.636 280 A CB -0.994 17.869 19.000 -0.229 0.000 0.815 280 A HN 0.608 nan 8.150 nan 0.000 0.449 281 A N -1.539 121.453 122.820 0.286 0.000 2.014 281 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 281 A C 2.064 179.632 177.584 -0.027 0.000 1.163 281 A CA 1.782 53.869 52.037 0.083 0.000 0.652 281 A CB -0.305 18.623 19.000 -0.120 0.000 0.808 281 A HN 0.516 nan 8.150 nan 0.000 0.449 282 Q N 0.044 119.808 119.800 -0.060 0.000 2.245 282 Q HA 0.069 4.409 4.340 -0.000 0.000 0.201 282 Q C 1.630 177.538 176.000 -0.154 0.000 0.955 282 Q CA 1.014 56.773 55.803 -0.074 0.000 0.870 282 Q CB -0.453 28.242 28.738 -0.073 0.000 0.945 282 Q HN 0.696 nan 8.270 nan 0.000 0.461 283 I N -0.418 119.970 120.570 -0.303 0.000 2.208 283 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 283 I C 1.047 176.830 176.117 -0.557 0.000 1.097 283 I CA 1.257 62.255 61.300 -0.504 0.000 1.363 283 I CB -0.234 37.291 38.000 -0.792 0.000 1.051 283 I HN 0.198 nan 8.210 nan 0.000 0.413 284 F N 0.265 120.118 119.950 -0.161 0.000 2.582 284 F HA 0.328 4.855 4.527 -0.000 0.000 0.290 284 F C 1.796 177.564 175.800 -0.054 0.000 1.115 284 F CA 0.432 58.269 58.000 -0.272 0.000 1.445 284 F CB -1.071 37.410 39.000 -0.865 0.000 1.126 284 F HN 0.150 nan 8.300 nan 0.000 0.574 285 G N 0.714 109.563 108.800 0.081 0.000 2.564 285 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.273 285 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.273 285 G C -0.015 175.132 174.900 0.412 0.000 1.242 285 G CA 0.071 45.292 45.100 0.202 0.000 0.951 285 G HN 0.837 nan 8.290 nan 0.000 0.564 286 S N -1.469 114.377 115.700 0.243 0.000 2.627 286 S HA 0.775 5.245 4.470 -0.000 0.000 0.283 286 S C -1.001 173.525 174.600 -0.122 0.000 1.127 286 S CA 0.219 58.490 58.200 0.118 0.000 0.863 286 S CB 2.590 65.873 63.200 0.137 0.000 1.121 286 S HN 2.158 nan 8.310 nan 0.000 0.479 287 Y N 0.882 120.841 120.300 -0.568 0.000 2.544 287 Y HA 0.629 5.179 4.550 0.000 0.000 0.342 287 Y C -1.546 174.168 175.900 -0.310 0.000 1.062 287 Y CA -0.586 57.165 58.100 -0.581 0.000 1.023 287 Y CB 1.784 39.534 38.460 -1.183 0.000 1.308 287 Y HN 1.028 nan 8.280 nan 0.000 0.457 288 N N 3.658 121.767 118.700 -0.985 0.000 2.549 288 N HA 0.481 5.221 4.740 -0.000 0.000 0.290 288 N C -0.183 174.739 175.510 -0.981 0.000 1.122 288 N CA 0.267 52.896 53.050 -0.701 0.000 0.885 288 N CB 1.736 40.070 38.487 -0.255 0.000 1.455 288 N HN 0.852 nan 8.380 nan 0.000 0.521 289 A N 2.799 125.028 122.820 -0.985 0.000 2.070 289 A HA -0.042 4.278 4.320 -0.000 0.000 0.220 289 A C 0.842 178.044 177.584 -0.636 0.000 1.159 289 A CA 1.065 52.635 52.037 -0.778 0.000 0.656 289 A CB -0.515 18.128 19.000 -0.594 0.000 0.800 289 A HN 0.694 nan 8.150 nan 0.000 0.453 290 F N -0.161 119.679 119.950 -0.185 0.000 2.754 290 F HA 0.166 4.693 4.527 0.000 0.000 0.297 290 F C 0.628 176.376 175.800 -0.086 0.000 1.122 290 F CA 0.066 58.009 58.000 -0.095 0.000 1.400 290 F CB 0.371 39.331 39.000 -0.067 0.000 1.117 290 F HN -0.010 nan 8.300 nan 0.000 0.587 291 E N 1.797 121.994 120.200 -0.005 0.000 2.044 291 E HA 0.131 4.481 4.350 -0.000 0.000 0.282 291 E C -1.737 174.843 176.600 -0.033 0.000 1.031 291 E CA -1.924 54.466 56.400 -0.015 0.000 0.824 291 E CB 0.937 30.614 29.700 -0.039 0.000 1.076 291 E HN 0.057 nan 8.360 nan 0.000 0.395 292 P HA -0.255 nan 4.420 nan 0.000 0.218 292 P C 1.077 178.381 177.300 0.008 0.000 1.154 292 P CA 1.939 65.041 63.100 0.003 0.000 0.872 292 P CB 0.321 32.028 31.700 0.011 0.000 0.790 293 A N -1.179 121.645 122.820 0.006 0.000 1.972 293 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 293 A C 2.501 180.098 177.584 0.022 0.000 1.169 293 A CA 2.084 54.129 52.037 0.013 0.000 0.635 293 A CB -1.552 17.453 19.000 0.010 0.000 0.810 293 A HN 0.195 nan 8.150 nan 0.000 0.446 294 S N -0.551 115.151 115.700 0.005 0.000 2.402 294 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 294 S C 1.966 176.650 174.600 0.140 0.000 1.021 294 S CA 0.923 59.137 58.200 0.023 0.000 0.974 294 S CB -0.325 62.809 63.200 -0.111 0.000 0.800 294 S HN 0.641 nan 8.310 nan 0.000 0.484 295 R N 0.422 120.995 120.500 0.122 0.000 2.328 295 R HA 0.104 4.444 4.340 -0.000 0.000 0.207 295 R C 1.187 177.554 176.300 0.112 0.000 1.056 295 R CA 0.638 56.854 56.100 0.193 0.000 1.016 295 R CB -0.229 30.141 30.300 0.115 0.000 0.872 295 R HN 0.433 nan 8.270 nan 0.000 0.471 296 L N 0.315 121.585 121.223 0.079 0.000 2.693 296 L HA 0.135 4.474 4.340 -0.000 0.000 0.235 296 L C 0.435 177.333 176.870 0.046 0.000 1.127 296 L CA -0.150 54.719 54.840 0.049 0.000 0.914 296 L CB 0.148 42.226 42.059 0.031 0.000 1.193 296 L HN 0.066 nan 8.230 nan 0.000 0.502 297 Q N 0.727 120.566 119.800 0.065 0.000 2.479 297 Q HA 0.090 4.430 4.340 -0.000 0.000 0.267 297 Q C 0.963 176.989 176.000 0.042 0.000 1.071 297 Q CA 0.284 56.120 55.803 0.055 0.000 0.935 297 Q CB 0.473 29.258 28.738 0.079 0.000 1.295 297 Q HN 0.266 nan 8.270 nan 0.000 0.476 298 G N 2.330 111.146 108.800 0.026 0.000 3.197 298 G HA2 0.323 4.283 3.960 -0.000 0.000 0.257 298 G HA3 0.323 4.283 3.960 -0.000 0.000 0.257 298 G C -0.280 174.631 174.900 0.018 0.000 0.835 298 G CA -0.124 44.984 45.100 0.013 0.000 2.001 298 G HN 0.389 nan 8.290 nan 0.000 0.625 299 I N 0.179 120.774 120.570 0.043 0.000 2.410 299 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 299 I C 0.987 177.140 176.117 0.060 0.000 1.009 299 I CA -0.734 60.608 61.300 0.071 0.000 1.111 299 I CB 2.249 40.334 38.000 0.142 0.000 1.262 299 I HN 0.140 nan 8.210 nan 0.000 0.443 300 K N 3.277 123.713 120.400 0.060 0.000 2.147 300 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 300 K C 1.812 178.408 176.600 -0.007 0.000 1.049 300 K CA 1.107 57.410 56.287 0.027 0.000 0.936 300 K CB 0.036 32.561 32.500 0.041 0.000 0.722 300 K HN 0.479 nan 8.250 nan 0.000 0.446 301 L N 1.474 122.714 121.223 0.029 0.000 2.187 301 L HA -0.151 4.189 4.340 -0.000 0.000 0.213 301 L C 1.646 178.454 176.870 -0.103 0.000 1.100 301 L CA 1.491 56.295 54.840 -0.060 0.000 0.765 301 L CB -0.235 41.788 42.059 -0.059 0.000 0.904 301 L HN 0.150 nan 8.230 nan 0.000 0.437 302 L N -1.098 120.094 121.223 -0.052 0.000 2.291 302 L HA -0.124 4.216 4.340 -0.000 0.000 0.214 302 L C 2.010 178.811 176.870 -0.115 0.000 1.120 302 L CA 0.678 55.456 54.840 -0.103 0.000 0.799 302 L CB -0.757 41.266 42.059 -0.061 0.000 0.925 302 L HN 0.266 nan 8.230 nan 0.000 0.446 303 D N 0.429 120.763 120.400 -0.109 0.000 2.144 303 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 303 D C 1.784 177.966 176.300 -0.197 0.000 0.984 303 D CA 1.298 55.224 54.000 -0.123 0.000 0.834 303 D CB -0.231 40.504 40.800 -0.108 0.000 0.955 303 D HN 0.460 nan 8.370 nan 0.000 0.465 304 N N 0.179 118.688 118.700 -0.319 0.000 2.135 304 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 304 N C 1.905 177.219 175.510 -0.328 0.000 1.027 304 N CA 0.819 53.517 53.050 -0.588 0.000 0.849 304 N CB -0.023 37.789 38.487 -1.126 0.000 1.002 304 N HN 0.232 nan 8.380 nan 0.000 0.425 305 I N -1.286 119.172 120.570 -0.187 0.000 3.419 305 I HA 0.035 4.205 4.170 -0.000 0.000 0.286 305 I C 1.494 177.612 176.117 0.001 0.000 1.268 305 I CA 0.985 62.265 61.300 -0.034 0.000 1.414 305 I CB -0.016 37.972 38.000 -0.020 0.000 1.074 305 I HN 0.032 nan 8.210 nan 0.000 0.457 306 Q N 0.860 120.633 119.800 -0.045 0.000 2.354 306 Q HA -0.052 4.287 4.340 -0.000 0.000 0.203 306 Q C 1.873 177.856 176.000 -0.028 0.000 0.933 306 Q CA 0.711 56.504 55.803 -0.016 0.000 0.901 306 Q CB 0.072 28.796 28.738 -0.024 0.000 1.007 306 Q HN 0.699 nan 8.270 nan 0.000 0.495 307 E N 0.354 120.529 120.200 -0.042 0.000 2.049 307 E HA -0.204 4.146 4.350 -0.000 0.000 0.198 307 E C 0.496 176.936 176.600 -0.267 0.000 1.007 307 E CA 1.281 57.602 56.400 -0.132 0.000 0.809 307 E CB 0.121 29.780 29.700 -0.067 0.000 0.749 307 E HN 0.369 nan 8.360 nan 0.000 0.450 308 Y N -0.502 119.811 120.300 0.023 0.000 2.507 308 Y HA 0.200 4.750 4.550 -0.000 0.000 0.254 308 Y C -0.190 175.729 175.900 0.032 0.000 1.171 308 Y CA -0.240 57.879 58.100 0.032 0.000 1.238 308 Y CB 0.772 39.262 38.460 0.049 0.000 1.148 308 Y HN -0.014 nan 8.280 nan 0.000 0.525 309 Q N 0.559 120.429 119.800 0.116 0.000 2.436 309 Q HA -0.183 4.157 4.340 -0.000 0.000 0.362 309 Q C -0.085 175.990 176.000 0.124 0.000 1.423 309 Q CA 0.127 55.986 55.803 0.093 0.000 1.014 309 Q CB -1.255 27.508 28.738 0.041 0.000 1.177 309 Q HN 0.453 nan 8.270 nan 0.000 0.324 310 L N 0.095 121.405 121.223 0.145 0.000 2.478 310 L HA 0.196 4.536 4.340 -0.000 0.000 0.223 310 L C 0.960 177.912 176.870 0.138 0.000 1.140 310 L CA 1.410 56.336 54.840 0.143 0.000 0.842 310 L CB -0.400 41.759 42.059 0.166 0.000 0.953 310 L HN 0.864 nan 8.230 nan 0.000 0.452 311 C N -5.777 113.625 119.300 0.171 0.000 3.303 311 C HA 0.392 4.852 4.460 -0.000 0.000 0.340 311 C C 0.946 176.059 174.990 0.204 0.000 1.274 311 C CA -1.018 58.113 59.018 0.188 0.000 1.234 311 C CB 0.866 28.774 27.740 0.281 0.000 1.532 311 C HN 0.070 nan 8.230 nan 0.000 0.483 312 D N 1.265 121.756 120.400 0.153 0.000 2.183 312 D HA 0.124 4.764 4.640 -0.000 0.000 0.205 312 D C 0.480 176.856 176.300 0.127 0.000 0.962 312 D CA 1.630 55.717 54.000 0.144 0.000 0.849 312 D CB 0.114 41.055 40.800 0.235 0.000 0.978 312 D HN 0.871 nan 8.370 nan 0.000 0.488 313 N N -0.485 118.335 118.700 0.201 0.000 2.745 313 N HA 0.268 5.008 4.740 -0.000 0.000 0.256 313 N C -1.294 174.427 175.510 0.352 0.000 1.268 313 N CA -0.628 52.535 53.050 0.189 0.000 0.887 313 N CB 1.562 40.102 38.487 0.089 0.000 1.575 313 N HN -0.009 nan 8.380 nan 0.000 0.496 314 F N -1.212 118.951 119.950 0.356 0.000 2.650 314 F HA 0.678 5.205 4.527 0.000 0.000 0.320 314 F C -1.492 174.512 175.800 0.340 0.000 1.091 314 F CA -0.925 57.273 58.000 0.331 0.000 0.962 314 F CB 1.739 41.020 39.000 0.468 0.000 1.363 314 F HN 0.591 nan 8.300 nan 0.000 0.482 315 N N -0.226 118.841 118.700 0.613 0.000 2.452 315 N HA 0.209 4.949 4.740 -0.000 0.000 0.277 315 N C -1.984 173.776 175.510 0.416 0.000 1.078 315 N CA -0.625 52.733 53.050 0.513 0.000 0.947 315 N CB 1.496 40.183 38.487 0.334 0.000 1.655 315 N HN 0.844 nan 8.380 nan 0.000 0.490 316 H N 1.192 120.431 119.070 0.282 0.000 2.505 316 H HA 0.516 5.072 4.556 -0.000 0.000 0.355 316 H C -0.622 174.625 175.328 -0.135 0.000 1.179 316 H CA -0.016 55.954 56.048 -0.130 0.000 1.343 316 H CB 1.214 30.866 29.762 -0.184 0.000 1.501 316 H HN 0.571 nan 8.280 nan 0.000 0.569 317 F N -1.284 118.579 119.950 -0.144 0.000 2.619 317 F HA 0.363 4.890 4.527 0.000 0.000 0.308 317 F C -0.389 175.238 175.800 -0.288 0.000 1.097 317 F CA -1.171 56.751 58.000 -0.131 0.000 0.953 317 F CB 1.580 40.568 39.000 -0.021 0.000 1.287 317 F HN 0.275 nan 8.300 nan 0.000 0.446 318 S N 2.829 118.581 115.700 0.087 0.000 2.532 318 S HA 0.590 5.060 4.470 -0.000 0.000 0.256 318 S C -1.239 173.434 174.600 0.121 0.000 1.298 318 S CA -0.431 57.843 58.200 0.125 0.000 1.166 318 S CB -0.137 63.113 63.200 0.083 0.000 1.022 318 S HN 0.536 nan 8.310 nan 0.000 0.480 319 L N 4.014 125.362 121.223 0.207 0.000 2.319 319 L HA 0.485 4.824 4.340 -0.000 0.000 0.280 319 L C 0.305 177.126 176.870 -0.081 0.000 1.099 319 L CA 0.474 55.334 54.840 0.033 0.000 0.828 319 L CB 0.998 43.132 42.059 0.125 0.000 1.150 319 L HN 0.525 nan 8.230 nan 0.000 0.442 320 S N 3.598 119.141 115.700 -0.262 0.000 2.502 320 S HA 0.740 5.210 4.470 -0.000 0.000 0.304 320 S C -0.879 173.466 174.600 -0.425 0.000 1.097 320 S CA -0.482 57.623 58.200 -0.158 0.000 1.045 320 S CB 1.225 64.516 63.200 0.152 0.000 1.019 320 S HN 0.354 nan 8.310 nan 0.000 0.481 321 Y N 0.653 121.066 120.300 0.187 0.000 2.833 321 Y HA 0.489 5.039 4.550 -0.000 0.000 0.319 321 Y C 1.630 177.593 175.900 0.105 0.000 1.254 321 Y CA -1.183 56.993 58.100 0.127 0.000 1.138 321 Y CB 0.640 39.136 38.460 0.061 0.000 1.352 321 Y HN 0.463 nan 8.280 nan 0.000 0.546 322 K N 0.092 120.650 120.400 0.263 0.000 2.026 322 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 322 K C 0.346 177.028 176.600 0.137 0.000 1.048 322 K CA 2.337 58.719 56.287 0.158 0.000 0.929 322 K CB -0.209 32.367 32.500 0.127 0.000 0.713 322 K HN 0.705 nan 8.250 nan 0.000 0.439 323 D N -0.665 119.813 120.400 0.130 0.000 2.338 323 D HA 0.064 4.704 4.640 -0.000 0.000 0.208 323 D C 0.570 176.962 176.300 0.154 0.000 0.997 323 D CA 0.297 54.363 54.000 0.109 0.000 0.880 323 D CB 0.946 41.780 40.800 0.057 0.000 0.980 323 D HN 0.029 nan 8.370 nan 0.000 0.509 324 S N -1.946 113.876 115.700 0.203 0.000 2.724 324 S HA 0.679 5.149 4.470 -0.000 0.000 0.278 324 S C -1.085 173.768 174.600 0.422 0.000 1.190 324 S CA -0.185 58.197 58.200 0.304 0.000 0.860 324 S CB 1.470 64.894 63.200 0.372 0.000 1.206 324 S HN 0.188 nan 8.310 nan 0.000 0.507 325 G N 0.096 109.217 108.800 0.534 0.000 2.608 325 G HA2 0.606 4.566 3.960 -0.000 0.000 0.291 325 G HA3 0.606 4.566 3.960 -0.000 0.000 0.291 325 G C -2.370 172.883 174.900 0.588 0.000 1.425 325 G CA -0.617 44.807 45.100 0.541 0.000 0.787 325 G HN 0.706 nan 8.290 nan 0.000 0.484 326 L N -0.062 121.475 121.223 0.523 0.000 2.356 326 L HA 0.543 4.883 4.340 -0.000 0.000 0.277 326 L C -1.366 175.804 176.870 0.500 0.000 0.996 326 L CA -0.562 54.560 54.840 0.470 0.000 0.822 326 L CB 2.542 44.870 42.059 0.448 0.000 1.256 326 L HN 0.651 nan 8.230 nan 0.000 0.413 327 W N 4.226 125.658 121.300 0.219 0.000 2.417 327 W HA 0.679 5.339 4.660 -0.000 0.000 0.315 327 W C 0.124 176.604 176.519 -0.065 0.000 1.045 327 W CA 0.141 57.557 57.345 0.118 0.000 1.221 327 W CB 1.705 31.257 29.460 0.153 0.000 1.309 327 W HN 0.578 nan 8.180 nan 0.000 0.453 328 G N 3.755 112.100 108.800 -0.757 0.000 2.411 328 G HA2 0.434 4.394 3.960 -0.000 0.000 0.269 328 G HA3 0.434 4.394 3.960 -0.000 0.000 0.269 328 G C -1.740 172.401 174.900 -1.264 0.000 1.220 328 G CA -0.413 44.250 45.100 -0.728 0.000 0.908 328 G HN 0.945 nan 8.290 nan 0.000 0.483 329 F N -0.568 118.875 119.950 -0.845 0.000 2.643 329 F HA 0.878 5.405 4.527 -0.000 0.000 0.314 329 F C -0.644 175.101 175.800 -0.092 0.000 1.096 329 F CA -0.950 56.581 58.000 -0.782 0.000 0.953 329 F CB 1.982 40.442 39.000 -0.901 0.000 1.345 329 F HN 0.543 nan 8.300 nan 0.000 0.468 330 S N 0.760 116.405 115.700 -0.092 0.000 2.600 330 S HA 0.786 5.256 4.470 -0.000 0.000 0.300 330 S C -0.955 173.525 174.600 -0.200 0.000 1.087 330 S CA -0.707 57.412 58.200 -0.134 0.000 0.965 330 S CB 1.963 65.307 63.200 0.240 0.000 1.089 330 S HN 0.916 nan 8.310 nan 0.000 0.496 331 T N 0.149 114.595 114.554 -0.180 0.000 2.840 331 T HA 0.708 5.058 4.350 -0.000 0.000 0.317 331 T C -1.991 172.729 174.700 0.033 0.000 1.401 331 T CA -0.390 61.712 62.100 0.004 0.000 1.028 331 T CB 1.348 70.198 68.868 -0.030 0.000 1.317 331 T HN 0.899 nan 8.240 nan 0.000 0.495 332 A N 1.833 124.677 122.820 0.041 0.000 2.414 332 A HA 0.872 5.192 4.320 -0.000 0.000 0.306 332 A C -0.313 177.187 177.584 -0.140 0.000 1.054 332 A CA -0.648 51.281 52.037 -0.180 0.000 0.724 332 A CB 2.025 20.916 19.000 -0.181 0.000 1.267 332 A HN 0.987 nan 8.150 nan 0.000 0.418 333 T N 0.267 114.659 114.554 -0.270 0.000 2.982 333 T HA 0.487 4.837 4.350 -0.000 0.000 0.321 333 T C 0.088 174.675 174.700 -0.187 0.000 1.229 333 T CA -0.420 61.598 62.100 -0.138 0.000 1.044 333 T CB 1.270 70.109 68.868 -0.049 0.000 1.184 333 T HN 0.598 nan 8.240 nan 0.000 0.477 334 R N 2.080 122.526 120.500 -0.090 0.000 2.334 334 R HA 0.291 4.631 4.340 -0.000 0.000 0.216 334 R C 0.760 177.040 176.300 -0.033 0.000 0.905 334 R CA 0.014 56.070 56.100 -0.073 0.000 1.064 334 R CB 0.136 30.423 30.300 -0.022 0.000 1.046 334 R HN 0.521 nan 8.270 nan 0.000 0.508 335 N N 0.853 119.544 118.700 -0.015 0.000 2.868 335 N HA 0.008 4.748 4.740 -0.000 0.000 0.252 335 N C 0.882 176.382 175.510 -0.015 0.000 1.130 335 N CA -0.276 52.777 53.050 0.005 0.000 1.026 335 N CB 0.791 39.301 38.487 0.039 0.000 1.335 335 N HN 0.002 nan 8.380 nan 0.000 0.516 336 V N -0.078 119.820 119.914 -0.027 0.000 3.461 336 V HA 0.013 4.133 4.120 -0.000 0.000 0.267 336 V C 1.632 177.706 176.094 -0.033 0.000 1.186 336 V CA 1.169 63.446 62.300 -0.038 0.000 1.154 336 V CB -0.381 31.416 31.823 -0.044 0.000 0.802 336 V HN 0.598 nan 8.190 nan 0.000 0.474 337 T N -3.493 111.044 114.554 -0.028 0.000 3.069 337 T HA 0.382 4.732 4.350 -0.000 0.000 0.252 337 T C 0.950 175.620 174.700 -0.050 0.000 1.053 337 T CA 0.245 62.323 62.100 -0.036 0.000 0.964 337 T CB -0.012 68.838 68.868 -0.031 0.000 1.005 337 T HN 0.449 nan 8.240 nan 0.000 0.532 338 M N 0.016 119.591 119.600 -0.041 0.000 2.511 338 M HA 0.460 4.940 4.480 -0.000 0.000 0.387 338 M C 0.843 177.120 176.300 -0.039 0.000 1.112 338 M CA -0.116 55.152 55.300 -0.052 0.000 0.921 338 M CB 0.341 32.920 32.600 -0.036 0.000 1.501 338 M HN 0.097 nan 8.290 nan 0.000 0.538 339 I N 1.764 122.312 120.570 -0.038 0.000 2.315 339 I HA -0.336 3.834 4.170 -0.000 0.000 0.251 339 I C 2.220 178.308 176.117 -0.048 0.000 1.125 339 I CA 1.629 62.910 61.300 -0.031 0.000 1.392 339 I CB -0.347 37.631 38.000 -0.035 0.000 1.065 339 I HN 0.476 nan 8.210 nan 0.000 0.424 340 D N 0.249 120.602 120.400 -0.079 0.000 2.219 340 D HA -0.202 4.438 4.640 -0.000 0.000 0.205 340 D C 1.327 177.540 176.300 -0.146 0.000 0.970 340 D CA 1.062 54.996 54.000 -0.111 0.000 0.851 340 D CB -0.442 40.278 40.800 -0.133 0.000 0.943 340 D HN 0.362 nan 8.370 nan 0.000 0.488 341 D N 0.886 121.193 120.400 -0.155 0.000 2.162 341 D HA -0.033 4.607 4.640 -0.000 0.000 0.203 341 D C 2.311 178.549 176.300 -0.103 0.000 0.967 341 D CA 0.017 53.877 54.000 -0.235 0.000 0.840 341 D CB -0.020 40.677 40.800 -0.171 0.000 0.972 341 D HN 0.218 nan 8.370 nan 0.000 0.482 342 L N 0.975 122.201 121.223 0.005 0.000 1.990 342 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 342 L C 2.192 179.048 176.870 -0.023 0.000 1.072 342 L CA 1.184 56.057 54.840 0.054 0.000 0.755 342 L CB -0.131 41.975 42.059 0.077 0.000 0.889 342 L HN -0.013 nan 8.230 nan 0.000 0.432 343 I N -0.759 119.781 120.570 -0.049 0.000 2.315 343 I HA -0.287 3.883 4.170 -0.000 0.000 0.248 343 I C 2.454 178.427 176.117 -0.241 0.000 1.117 343 I CA 1.492 62.725 61.300 -0.113 0.000 1.404 343 I CB -1.774 36.179 38.000 -0.080 0.000 1.071 343 I HN 0.443 nan 8.210 nan 0.000 0.419 344 H N 0.974 119.858 119.070 -0.309 0.000 2.326 344 H HA -0.136 4.420 4.556 -0.000 0.000 0.301 344 H C 2.026 177.157 175.328 -0.329 0.000 1.081 344 H CA 1.794 57.620 56.048 -0.370 0.000 1.334 344 H CB -0.240 29.241 29.762 -0.467 0.000 1.385 344 H HN 0.079 nan 8.280 nan 0.000 0.504 345 F N 0.325 120.051 119.950 -0.374 0.000 2.186 345 F HA -0.111 4.416 4.527 -0.000 0.000 0.299 345 F C 2.702 178.200 175.800 -0.503 0.000 1.090 345 F CA 1.560 59.316 58.000 -0.407 0.000 1.307 345 F CB -0.987 37.883 39.000 -0.217 0.000 1.019 345 F HN 0.181 nan 8.300 nan 0.000 0.489 346 T N 0.271 114.577 114.554 -0.413 0.000 2.746 346 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 346 T C 2.007 176.006 174.700 -1.169 0.000 1.039 346 T CA 1.147 62.748 62.100 -0.832 0.000 1.142 346 T CB -0.447 67.744 68.868 -1.127 0.000 0.866 346 T HN -0.003 nan 8.240 nan 0.000 0.444 347 L N 0.574 121.202 121.223 -0.992 0.000 2.217 347 L HA 0.097 4.437 4.340 -0.000 0.000 0.211 347 L C 2.340 178.905 176.870 -0.509 0.000 1.107 347 L CA 1.340 55.639 54.840 -0.901 0.000 0.783 347 L CB -0.446 41.228 42.059 -0.643 0.000 0.919 347 L HN -0.004 nan 8.230 nan 0.000 0.442 348 K N -0.577 119.549 120.400 -0.458 0.000 2.057 348 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 348 K C 2.056 178.572 176.600 -0.138 0.000 1.050 348 K CA 0.818 56.940 56.287 -0.275 0.000 0.935 348 K CB -0.267 32.054 32.500 -0.298 0.000 0.715 348 K HN 0.299 nan 8.250 nan 0.000 0.439 349 Q N -0.350 119.331 119.800 -0.197 0.000 2.061 349 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 349 Q C 2.014 178.056 176.000 0.071 0.000 0.984 349 Q CA 1.342 57.101 55.803 -0.073 0.000 0.846 349 Q CB -0.418 28.197 28.738 -0.205 0.000 0.902 349 Q HN 0.391 nan 8.270 nan 0.000 0.421 350 W N 1.297 122.393 121.300 -0.340 0.000 2.392 350 W HA -0.081 4.579 4.660 0.000 0.000 0.279 350 W C 1.774 178.321 176.519 0.046 0.000 1.225 350 W CA 0.470 57.730 57.345 -0.141 0.000 1.233 350 W CB -1.230 28.146 29.460 -0.140 0.000 1.122 350 W HN 0.366 nan 8.180 nan 0.000 0.561 351 N N -0.036 118.797 118.700 0.223 0.000 2.223 351 N HA -0.164 4.576 4.740 -0.000 0.000 0.185 351 N C 1.758 177.470 175.510 0.337 0.000 1.016 351 N CA 1.169 54.386 53.050 0.279 0.000 0.863 351 N CB -0.303 38.282 38.487 0.163 0.000 0.983 351 N HN 0.143 nan 8.380 nan 0.000 0.429 352 R N 0.809 121.465 120.500 0.260 0.000 2.120 352 R HA -0.041 4.299 4.340 -0.000 0.000 0.234 352 R C 1.992 178.412 176.300 0.199 0.000 1.123 352 R CA 0.700 56.930 56.100 0.216 0.000 0.975 352 R CB -0.329 30.095 30.300 0.206 0.000 0.866 352 R HN 0.298 nan 8.270 nan 0.000 0.446 353 L N 0.101 121.479 121.223 0.258 0.000 2.187 353 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 353 L C 1.823 178.758 176.870 0.107 0.000 1.100 353 L CA 1.327 56.281 54.840 0.191 0.000 0.765 353 L CB -0.554 41.644 42.059 0.231 0.000 0.904 353 L HN 0.251 nan 8.230 nan 0.000 0.437 354 T N -0.422 114.192 114.554 0.100 0.000 3.035 354 T HA 0.045 4.395 4.350 -0.000 0.000 0.259 354 T C 1.686 176.316 174.700 -0.116 0.000 1.078 354 T CA 1.058 63.133 62.100 -0.040 0.000 1.132 354 T CB 0.212 69.008 68.868 -0.119 0.000 0.900 354 T HN 0.489 nan 8.240 nan 0.000 0.480 355 I N -1.649 118.893 120.570 -0.047 0.000 4.338 355 I HA 0.388 4.558 4.170 -0.000 0.000 0.315 355 I C 1.389 177.498 176.117 -0.014 0.000 1.262 355 I CA 0.046 61.304 61.300 -0.071 0.000 1.298 355 I CB 0.630 38.588 38.000 -0.070 0.000 1.257 355 I HN 0.112 nan 8.210 nan 0.000 0.444 356 S N 0.412 116.128 115.700 0.027 0.000 2.998 356 S HA 0.251 4.721 4.470 -0.000 0.000 0.256 356 S C 0.051 174.673 174.600 0.037 0.000 0.970 356 S CA -0.123 58.095 58.200 0.030 0.000 1.238 356 S CB -0.289 62.936 63.200 0.042 0.000 1.170 356 S HN 0.165 nan 8.310 nan 0.000 0.663 357 V N 4.400 124.339 119.914 0.042 0.000 2.673 357 V HA 0.451 4.571 4.120 -0.000 0.000 0.303 357 V C 0.618 176.713 176.094 0.002 0.000 1.046 357 V CA 1.089 63.407 62.300 0.030 0.000 1.126 357 V CB 0.763 32.601 31.823 0.025 0.000 0.934 357 V HN 0.720 nan 8.190 nan 0.000 0.487 358 T N 2.519 117.069 114.554 -0.007 0.000 2.918 358 T HA 0.295 4.645 4.350 -0.000 0.000 0.283 358 T C 0.882 175.565 174.700 -0.028 0.000 1.001 358 T CA -0.380 61.711 62.100 -0.015 0.000 1.041 358 T CB 1.203 70.063 68.868 -0.012 0.000 1.028 358 T HN 0.698 nan 8.240 nan 0.000 0.511 359 D N 0.951 121.335 120.400 -0.027 0.000 2.116 359 D HA -0.171 4.469 4.640 -0.000 0.000 0.193 359 D C 2.163 178.438 176.300 -0.040 0.000 0.998 359 D CA 2.253 56.233 54.000 -0.033 0.000 0.836 359 D CB -0.523 40.261 40.800 -0.028 0.000 0.951 359 D HN 0.845 nan 8.370 nan 0.000 0.449 360 T N -0.612 113.920 114.554 -0.036 0.000 2.995 360 T HA -0.085 4.265 4.350 -0.000 0.000 0.269 360 T C 1.672 176.342 174.700 -0.050 0.000 1.091 360 T CA 0.995 63.072 62.100 -0.039 0.000 1.128 360 T CB 0.081 68.932 68.868 -0.030 0.000 0.891 360 T HN 0.126 nan 8.240 nan 0.000 0.492 361 E N 0.207 120.374 120.200 -0.055 0.000 2.047 361 E HA -0.044 4.306 4.350 -0.000 0.000 0.191 361 E C 2.380 178.918 176.600 -0.102 0.000 0.987 361 E CA 1.189 57.541 56.400 -0.081 0.000 0.799 361 E CB -0.142 29.506 29.700 -0.087 0.000 0.752 361 E HN 0.344 nan 8.360 nan 0.000 0.449 362 V N 1.923 121.783 119.914 -0.091 0.000 2.287 362 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 362 V C 2.199 178.238 176.094 -0.093 0.000 1.053 362 V CA 1.764 64.007 62.300 -0.096 0.000 1.027 362 V CB -0.447 31.330 31.823 -0.076 0.000 0.646 362 V HN 0.223 nan 8.190 nan 0.000 0.447 363 E N -0.058 120.095 120.200 -0.077 0.000 2.110 363 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 363 E C 2.321 178.873 176.600 -0.080 0.000 0.988 363 E CA 1.091 57.446 56.400 -0.075 0.000 0.804 363 E CB -0.393 29.272 29.700 -0.059 0.000 0.745 363 E HN 0.508 nan 8.360 nan 0.000 0.458 364 R N 0.463 120.918 120.500 -0.075 0.000 2.096 364 R HA -0.089 4.251 4.340 -0.000 0.000 0.235 364 R C 2.112 178.360 176.300 -0.087 0.000 1.127 364 R CA 1.268 57.324 56.100 -0.072 0.000 0.968 364 R CB -0.060 30.202 30.300 -0.063 0.000 0.861 364 R HN 0.129 nan 8.270 nan 0.000 0.440 365 A N 0.984 123.741 122.820 -0.105 0.000 1.897 365 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 365 A C 1.943 179.454 177.584 -0.122 0.000 1.181 365 A CA 1.161 53.128 52.037 -0.116 0.000 0.620 365 A CB -0.242 18.673 19.000 -0.141 0.000 0.821 365 A HN 0.270 nan 8.150 nan 0.000 0.443 366 K N 0.126 120.449 120.400 -0.129 0.000 2.034 366 K HA -0.160 4.160 4.320 -0.000 0.000 0.214 366 K C 2.373 178.858 176.600 -0.191 0.000 1.051 366 K CA 1.915 58.106 56.287 -0.160 0.000 0.931 366 K CB -0.282 32.130 32.500 -0.146 0.000 0.715 366 K HN 0.451 nan 8.250 nan 0.000 0.446 367 S N 1.176 116.785 115.700 -0.151 0.000 2.368 367 S HA -0.097 4.373 4.470 -0.000 0.000 0.225 367 S C 1.918 176.436 174.600 -0.136 0.000 1.030 367 S CA 1.114 59.226 58.200 -0.146 0.000 0.999 367 S CB -0.173 62.970 63.200 -0.096 0.000 0.844 367 S HN 0.198 nan 8.310 nan 0.000 0.459 368 L N 0.711 121.870 121.223 -0.106 0.000 2.240 368 L HA 0.119 4.459 4.340 -0.000 0.000 0.211 368 L C 2.263 179.083 176.870 -0.082 0.000 1.106 368 L CA 0.471 55.266 54.840 -0.076 0.000 0.793 368 L CB -0.315 41.714 42.059 -0.051 0.000 0.927 368 L HN 0.284 nan 8.230 nan 0.000 0.446 369 L N 0.055 121.209 121.223 -0.114 0.000 2.056 369 L HA -0.216 4.124 4.340 -0.000 0.000 0.207 369 L C 2.573 179.346 176.870 -0.162 0.000 1.078 369 L CA 1.538 56.313 54.840 -0.108 0.000 0.749 369 L CB -0.123 41.871 42.059 -0.109 0.000 0.901 369 L HN 0.270 nan 8.230 nan 0.000 0.433 370 K N -0.410 119.798 120.400 -0.320 0.000 2.026 370 K HA -0.246 4.074 4.320 -0.000 0.000 0.208 370 K C 1.936 178.431 176.600 -0.176 0.000 1.048 370 K CA 1.440 57.386 56.287 -0.569 0.000 0.929 370 K CB -0.290 31.654 32.500 -0.926 0.000 0.713 370 K HN 0.146 nan 8.250 nan 0.000 0.439 371 L N 1.868 123.028 121.223 -0.105 0.000 2.046 371 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 371 L C 2.424 179.313 176.870 0.031 0.000 1.077 371 L CA 1.797 56.633 54.840 -0.005 0.000 0.747 371 L CB -0.416 41.634 42.059 -0.014 0.000 0.896 371 L HN 0.231 nan 8.230 nan 0.000 0.432 372 Q N -1.803 118.005 119.800 0.013 0.000 2.212 372 Q HA -0.130 4.210 4.340 -0.000 0.000 0.199 372 Q C 2.040 178.079 176.000 0.064 0.000 0.950 372 Q CA 1.343 57.171 55.803 0.042 0.000 0.863 372 Q CB -0.666 28.093 28.738 0.036 0.000 0.944 372 Q HN 0.397 nan 8.270 nan 0.000 0.465 373 L N 1.193 122.442 121.223 0.044 0.000 2.093 373 L HA 0.103 4.443 4.340 -0.000 0.000 0.208 373 L C 2.228 179.130 176.870 0.054 0.000 1.085 373 L CA 2.058 56.911 54.840 0.022 0.000 0.755 373 L CB -0.995 41.065 42.059 0.001 0.000 0.904 373 L HN 0.453 nan 8.230 nan 0.000 0.435 374 G N -1.562 107.329 108.800 0.152 0.000 2.453 374 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.215 374 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.215 374 G C 1.443 176.430 174.900 0.144 0.000 1.201 374 G CA 0.572 45.776 45.100 0.174 0.000 0.784 374 G HN 0.452 nan 8.290 nan 0.000 0.545 375 Q N -0.443 119.428 119.800 0.119 0.000 2.368 375 Q HA 0.070 4.410 4.340 -0.000 0.000 0.210 375 Q C 2.474 178.551 176.000 0.128 0.000 0.982 375 Q CA 0.408 56.274 55.803 0.104 0.000 0.884 375 Q CB -0.117 28.670 28.738 0.081 0.000 0.933 375 Q HN 0.439 nan 8.270 nan 0.000 0.460 376 L N -1.283 120.045 121.223 0.176 0.000 2.071 376 L HA -0.117 4.223 4.340 -0.000 0.000 0.201 376 L C 1.825 178.873 176.870 0.296 0.000 1.076 376 L CA 1.078 56.058 54.840 0.234 0.000 0.755 376 L CB -0.256 41.986 42.059 0.306 0.000 0.915 376 L HN 0.294 nan 8.230 nan 0.000 0.445 377 Y N 0.553 120.893 120.300 0.065 0.000 2.352 377 Y HA -0.175 4.375 4.550 -0.000 0.000 0.292 377 Y C 0.760 176.673 175.900 0.021 0.000 1.136 377 Y CA 0.328 58.453 58.100 0.042 0.000 1.227 377 Y CB 0.307 38.795 38.460 0.045 0.000 0.991 377 Y HN 0.362 nan 8.280 nan 0.000 0.545 378 E N -0.420 119.888 120.200 0.181 0.000 3.568 378 E HA 0.255 4.605 4.350 -0.000 0.000 0.213 378 E C -0.561 176.083 176.600 0.074 0.000 1.197 378 E CA -0.288 56.168 56.400 0.094 0.000 1.126 378 E CB 1.063 30.805 29.700 0.072 0.000 1.285 378 E HN -0.114 nan 8.360 nan 0.000 0.418 379 S N 0.562 116.302 115.700 0.067 0.000 2.655 379 S HA 0.422 4.892 4.470 -0.000 0.000 0.265 379 S C 1.047 175.666 174.600 0.032 0.000 1.240 379 S CA -0.012 58.218 58.200 0.049 0.000 0.986 379 S CB 0.892 64.121 63.200 0.048 0.000 0.985 379 S HN 0.569 nan 8.310 nan 0.000 0.562 380 G N 1.899 110.713 108.800 0.023 0.000 3.424 380 G HA2 0.164 4.124 3.960 -0.000 0.000 0.263 380 G HA3 0.164 4.124 3.960 -0.000 0.000 0.263 380 G C -0.099 174.809 174.900 0.013 0.000 1.310 380 G CA -0.231 44.877 45.100 0.013 0.000 1.089 380 G HN 0.543 nan 8.290 nan 0.000 0.534 381 N N 0.066 118.777 118.700 0.018 0.000 2.519 381 N HA 0.344 5.084 4.740 -0.000 0.000 0.286 381 N C -2.261 173.258 175.510 0.016 0.000 1.079 381 N CA -1.941 51.120 53.050 0.018 0.000 0.878 381 N CB 2.779 41.278 38.487 0.020 0.000 1.375 381 N HN -0.215 nan 8.380 nan 0.000 0.514 382 P HA -0.066 nan 4.420 nan 0.000 0.225 382 P C 1.446 178.747 177.300 0.002 0.000 1.156 382 P CA 0.538 63.644 63.100 0.010 0.000 0.787 382 P CB 0.338 32.050 31.700 0.021 0.000 0.802 383 V N -2.510 117.410 119.914 0.011 0.000 2.515 383 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 383 V C 1.656 177.751 176.094 0.002 0.000 1.058 383 V CA 1.881 64.188 62.300 0.011 0.000 1.064 383 V CB -1.782 30.057 31.823 0.025 0.000 0.675 383 V HN 0.059 nan 8.190 nan 0.000 0.461 384 N N 0.581 119.283 118.700 0.004 0.000 2.171 384 N HA -0.142 4.598 4.740 -0.000 0.000 0.184 384 N C 1.619 177.105 175.510 -0.040 0.000 1.021 384 N CA 1.382 54.431 53.050 -0.001 0.000 0.854 384 N CB -0.250 38.246 38.487 0.016 0.000 0.994 384 N HN 0.538 nan 8.380 nan 0.000 0.426 385 D N 1.124 121.496 120.400 -0.046 0.000 2.149 385 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 385 D C 1.961 178.195 176.300 -0.110 0.000 0.990 385 D CA 0.917 54.865 54.000 -0.087 0.000 0.839 385 D CB -0.093 40.673 40.800 -0.057 0.000 0.948 385 D HN 0.284 nan 8.370 nan 0.000 0.460 386 A N 1.199 123.972 122.820 -0.078 0.000 1.902 386 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 386 A C 2.000 179.506 177.584 -0.130 0.000 1.181 386 A CA 1.614 53.596 52.037 -0.092 0.000 0.623 386 A CB -0.785 18.180 19.000 -0.058 0.000 0.818 386 A HN 0.199 nan 8.150 nan 0.000 0.443 387 N N -0.233 118.406 118.700 -0.101 0.000 2.166 387 N HA -0.051 4.689 4.740 -0.000 0.000 0.186 387 N C 1.585 176.963 175.510 -0.220 0.000 1.019 387 N CA 1.337 54.317 53.050 -0.117 0.000 0.856 387 N CB -0.257 38.236 38.487 0.011 0.000 0.993 387 N HN 0.469 nan 8.380 nan 0.000 0.426 388 L N 0.212 121.320 121.223 -0.192 0.000 2.072 388 L HA -0.060 4.280 4.340 -0.000 0.000 0.205 388 L C 2.200 178.889 176.870 -0.301 0.000 1.079 388 L CA 0.646 55.331 54.840 -0.259 0.000 0.752 388 L CB -0.378 41.475 42.059 -0.343 0.000 0.906 388 L HN 0.267 nan 8.230 nan 0.000 0.436 389 L N -0.139 120.925 121.223 -0.264 0.000 2.027 389 L HA -0.126 4.214 4.340 -0.000 0.000 0.206 389 L C 2.525 179.254 176.870 -0.236 0.000 1.074 389 L CA 1.704 56.408 54.840 -0.227 0.000 0.745 389 L CB -0.744 41.209 42.059 -0.176 0.000 0.898 389 L HN 0.307 nan 8.230 nan 0.000 0.433 390 G N -0.806 107.834 108.800 -0.267 0.000 2.446 390 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.217 390 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.217 390 G C 1.646 176.304 174.900 -0.404 0.000 1.168 390 G CA 0.850 45.767 45.100 -0.305 0.000 0.771 390 G HN 0.548 nan 8.290 nan 0.000 0.551 391 A N 0.300 122.752 122.820 -0.614 0.000 1.933 391 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 391 A C 2.203 179.599 177.584 -0.313 0.000 1.175 391 A CA 1.878 53.493 52.037 -0.704 0.000 0.628 391 A CB -0.333 18.136 19.000 -0.886 0.000 0.814 391 A HN 0.402 nan 8.150 nan 0.000 0.444 392 E N -0.234 119.818 120.200 -0.247 0.000 2.028 392 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 392 E C 2.211 178.735 176.600 -0.126 0.000 0.988 392 E CA 1.843 58.149 56.400 -0.157 0.000 0.799 392 E CB -0.289 29.325 29.700 -0.143 0.000 0.755 392 E HN 0.601 nan 8.360 nan 0.000 0.447 393 V N -0.790 119.042 119.914 -0.137 0.000 2.809 393 V HA -0.125 3.995 4.120 -0.000 0.000 0.256 393 V C 2.246 178.289 176.094 -0.084 0.000 1.080 393 V CA 1.035 63.273 62.300 -0.103 0.000 1.102 393 V CB -0.636 31.123 31.823 -0.107 0.000 0.705 393 V HN 0.123 nan 8.190 nan 0.000 0.475 394 L N -0.674 120.490 121.223 -0.099 0.000 2.201 394 L HA 0.027 4.367 4.340 -0.000 0.000 0.212 394 L C 2.363 179.221 176.870 -0.020 0.000 1.105 394 L CA 1.546 56.352 54.840 -0.055 0.000 0.775 394 L CB -0.151 41.874 42.059 -0.057 0.000 0.913 394 L HN 0.320 nan 8.230 nan 0.000 0.440 395 I N -0.861 119.690 120.570 -0.030 0.000 2.729 395 I HA -0.126 4.044 4.170 -0.000 0.000 0.256 395 I C 1.884 177.994 176.117 -0.012 0.000 1.115 395 I CA 0.668 61.965 61.300 -0.005 0.000 1.446 395 I CB 0.062 38.061 38.000 -0.002 0.000 1.176 395 I HN 0.154 nan 8.210 nan 0.000 0.446 396 K N 0.790 121.172 120.400 -0.031 0.000 2.374 396 K HA 0.404 4.724 4.320 -0.000 0.000 0.202 396 K C 1.116 177.701 176.600 -0.026 0.000 1.040 396 K CA 0.629 56.900 56.287 -0.027 0.000 1.085 396 K CB 1.065 33.542 32.500 -0.039 0.000 0.873 396 K HN 0.212 nan 8.250 nan 0.000 0.539 397 G N 1.913 110.693 108.800 -0.033 0.000 2.160 397 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.251 397 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.251 397 G C -0.081 174.795 174.900 -0.040 0.000 1.008 397 G CA 0.482 45.563 45.100 -0.033 0.000 0.724 397 G HN 0.750 nan 8.290 nan 0.000 0.514 398 S N -2.261 113.410 115.700 -0.049 0.000 2.633 398 S HA 0.627 5.097 4.470 -0.000 0.000 0.271 398 S C -1.088 173.479 174.600 -0.054 0.000 1.112 398 S CA -0.280 57.890 58.200 -0.051 0.000 0.828 398 S CB 1.874 65.052 63.200 -0.036 0.000 1.086 398 S HN 0.958 nan 8.310 nan 0.000 0.461 399 K N 1.007 121.375 120.400 -0.053 0.000 2.274 399 K HA 0.593 4.913 4.320 -0.000 0.000 0.262 399 K C -1.206 175.394 176.600 0.001 0.000 0.961 399 K CA -0.940 55.324 56.287 -0.039 0.000 0.833 399 K CB 1.154 33.613 32.500 -0.068 0.000 1.102 399 K HN 0.639 nan 8.250 nan 0.000 0.436 400 L N 4.246 125.495 121.223 0.043 0.000 2.410 400 L HA 0.097 4.437 4.340 -0.000 0.000 0.273 400 L C -0.209 176.727 176.870 0.110 0.000 1.144 400 L CA 0.614 55.499 54.840 0.075 0.000 0.863 400 L CB 0.829 42.959 42.059 0.118 0.000 1.140 400 L HN 0.773 nan 8.230 nan 0.000 0.463 401 S N 3.961 119.691 115.700 0.049 0.000 2.585 401 S HA 0.083 4.553 4.470 -0.000 0.000 0.273 401 S C 1.114 175.719 174.600 0.009 0.000 1.339 401 S CA -0.665 57.553 58.200 0.030 0.000 1.028 401 S CB 0.817 63.999 63.200 -0.029 0.000 0.906 401 S HN 0.691 nan 8.310 nan 0.000 0.528 402 L N 2.899 124.111 121.223 -0.018 0.000 2.081 402 L HA 0.052 4.392 4.340 -0.000 0.000 0.212 402 L C 2.348 178.947 176.870 -0.452 0.000 1.080 402 L CA 2.426 57.148 54.840 -0.197 0.000 0.754 402 L CB -1.333 40.590 42.059 -0.227 0.000 0.893 402 L HN 0.992 nan 8.230 nan 0.000 0.433 403 G N -1.857 106.724 108.800 -0.365 0.000 2.448 403 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 403 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 403 G C 1.501 176.306 174.900 -0.160 0.000 1.135 403 G CA 0.313 45.207 45.100 -0.342 0.000 0.784 403 G HN 0.342 nan 8.290 nan 0.000 0.543 404 E N 0.694 120.830 120.200 -0.106 0.000 2.152 404 E HA 0.026 4.376 4.350 -0.000 0.000 0.192 404 E C 2.870 179.422 176.600 -0.080 0.000 0.983 404 E CA 0.812 57.176 56.400 -0.061 0.000 0.818 404 E CB -0.137 29.546 29.700 -0.029 0.000 0.758 404 E HN 0.338 nan 8.360 nan 0.000 0.467 405 A N 0.705 123.479 122.820 -0.076 0.000 1.873 405 A HA -0.154 4.166 4.320 -0.000 0.000 0.215 405 A C 1.929 179.414 177.584 -0.165 0.000 1.186 405 A CA 1.037 52.946 52.037 -0.213 0.000 0.616 405 A CB -0.785 18.206 19.000 -0.015 0.000 0.823 405 A HN 0.154 nan 8.150 nan 0.000 0.442 406 F N 0.566 120.359 119.950 -0.261 0.000 2.202 406 F HA -0.131 4.396 4.527 0.000 0.000 0.301 406 F C 2.226 177.910 175.800 -0.193 0.000 1.082 406 F CA 1.252 59.129 58.000 -0.206 0.000 1.313 406 F CB -0.539 38.383 39.000 -0.130 0.000 1.024 406 F HN 0.221 nan 8.300 nan 0.000 0.495 407 K N 0.104 120.514 120.400 0.018 0.000 2.057 407 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 407 K C 2.081 178.619 176.600 -0.105 0.000 1.050 407 K CA 1.076 57.339 56.287 -0.040 0.000 0.935 407 K CB -0.114 32.362 32.500 -0.040 0.000 0.715 407 K HN 0.218 nan 8.250 nan 0.000 0.439 408 K N 0.664 120.944 120.400 -0.199 0.000 2.062 408 K HA -0.041 4.279 4.320 -0.000 0.000 0.205 408 K C 2.161 178.604 176.600 -0.263 0.000 1.051 408 K CA 0.951 57.086 56.287 -0.253 0.000 0.941 408 K CB -0.096 32.144 32.500 -0.434 0.000 0.719 408 K HN 0.132 nan 8.250 nan 0.000 0.440 409 I N 1.587 121.947 120.570 -0.350 0.000 2.179 409 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 409 I C 1.755 177.771 176.117 -0.169 0.000 1.088 409 I CA 1.225 62.369 61.300 -0.259 0.000 1.357 409 I CB -0.261 37.556 38.000 -0.306 0.000 1.051 409 I HN 0.097 nan 8.210 nan 0.000 0.409 410 D N 0.878 121.189 120.400 -0.148 0.000 2.310 410 D HA -0.063 4.577 4.640 -0.000 0.000 0.212 410 D C 1.959 178.212 176.300 -0.079 0.000 0.965 410 D CA 1.062 54.998 54.000 -0.106 0.000 0.879 410 D CB 0.154 40.907 40.800 -0.077 0.000 0.921 410 D HN 0.342 nan 8.370 nan 0.000 0.510 411 A N 0.088 122.862 122.820 -0.077 0.000 2.251 411 A HA 0.120 4.440 4.320 -0.000 0.000 0.209 411 A C 1.093 178.649 177.584 -0.046 0.000 1.187 411 A CA -0.209 51.797 52.037 -0.053 0.000 0.823 411 A CB -0.091 18.882 19.000 -0.046 0.000 0.846 411 A HN 0.101 nan 8.150 nan 0.000 0.486 412 I N 2.215 122.751 120.570 -0.057 0.000 2.471 412 I HA 0.134 4.304 4.170 -0.000 0.000 0.286 412 I C 0.853 176.942 176.117 -0.047 0.000 1.079 412 I CA -0.067 61.204 61.300 -0.049 0.000 1.398 412 I CB 1.169 39.131 38.000 -0.062 0.000 1.403 412 I HN 0.290 nan 8.210 nan 0.000 0.530 413 T N 2.046 116.580 114.554 -0.033 0.000 2.936 413 T HA 0.305 4.655 4.350 -0.000 0.000 0.282 413 T C 1.157 175.840 174.700 -0.028 0.000 1.003 413 T CA -0.893 61.189 62.100 -0.030 0.000 1.005 413 T CB 1.864 70.720 68.868 -0.021 0.000 1.097 413 T HN 0.233 nan 8.240 nan 0.000 0.532 414 V N 1.202 121.099 119.914 -0.027 0.000 2.380 414 V HA -0.177 3.943 4.120 -0.000 0.000 0.251 414 V C 2.854 178.941 176.094 -0.011 0.000 1.063 414 V CA 1.854 64.141 62.300 -0.022 0.000 1.055 414 V CB -0.801 31.009 31.823 -0.021 0.000 0.657 414 V HN 0.898 nan 8.190 nan 0.000 0.455 415 K N -0.533 119.861 120.400 -0.010 0.000 2.147 415 K HA -0.198 4.122 4.320 -0.000 0.000 0.205 415 K C 1.857 178.463 176.600 0.009 0.000 1.049 415 K CA 1.609 57.893 56.287 -0.005 0.000 0.936 415 K CB -0.224 32.271 32.500 -0.007 0.000 0.722 415 K HN 0.541 nan 8.250 nan 0.000 0.446 416 D N 0.208 120.615 120.400 0.011 0.000 2.084 416 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 416 D C 1.999 178.338 176.300 0.064 0.000 0.985 416 D CA 0.913 54.931 54.000 0.030 0.000 0.826 416 D CB -0.375 40.431 40.800 0.009 0.000 0.978 416 D HN -0.072 nan 8.370 nan 0.000 0.456 417 V N 1.446 121.381 119.914 0.035 0.000 2.324 417 V HA -0.263 3.857 4.120 -0.000 0.000 0.250 417 V C 2.380 178.556 176.094 0.137 0.000 1.060 417 V CA 1.644 63.987 62.300 0.072 0.000 1.042 417 V CB -0.403 31.423 31.823 0.005 0.000 0.650 417 V HN 0.188 nan 8.190 nan 0.000 0.450 418 K N -0.048 120.390 120.400 0.063 0.000 2.057 418 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 418 K C 2.289 178.898 176.600 0.014 0.000 1.050 418 K CA 1.437 57.739 56.287 0.026 0.000 0.935 418 K CB -0.367 32.125 32.500 -0.014 0.000 0.715 418 K HN 0.488 nan 8.250 nan 0.000 0.439 419 A N 0.375 123.217 122.820 0.037 0.000 1.969 419 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 419 A C 1.856 179.468 177.584 0.047 0.000 1.169 419 A CA 0.966 53.017 52.037 0.023 0.000 0.635 419 A CB -0.654 18.367 19.000 0.036 0.000 0.810 419 A HN 0.576 nan 8.150 nan 0.000 0.445 420 W N 0.631 121.885 121.300 -0.076 0.000 2.408 420 W HA -0.017 4.643 4.660 0.000 0.000 0.311 420 W C 2.398 178.840 176.519 -0.129 0.000 1.190 420 W CA 1.980 59.266 57.345 -0.098 0.000 1.321 420 W CB -0.308 29.083 29.460 -0.116 0.000 1.143 420 W HN 0.295 nan 8.180 nan 0.000 0.501 421 A N 0.617 123.366 122.820 -0.118 0.000 1.933 421 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 421 A C 2.167 179.599 177.584 -0.254 0.000 1.175 421 A CA 1.806 53.638 52.037 -0.341 0.000 0.628 421 A CB -1.692 17.294 19.000 -0.025 0.000 0.814 421 A HN 0.450 nan 8.150 nan 0.000 0.444 422 G N -1.404 107.304 108.800 -0.152 0.000 2.559 422 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.216 422 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.216 422 G C 1.503 176.336 174.900 -0.111 0.000 1.126 422 G CA 1.318 46.345 45.100 -0.120 0.000 0.778 422 G HN 0.470 nan 8.290 nan 0.000 0.543 423 K N -0.943 119.325 120.400 -0.219 0.000 2.329 423 K HA 0.336 4.656 4.320 -0.000 0.000 0.198 423 K C 2.232 178.654 176.600 -0.298 0.000 1.085 423 K CA 0.217 56.378 56.287 -0.209 0.000 0.961 423 K CB 0.293 32.674 32.500 -0.197 0.000 0.971 423 K HN 0.014 nan 8.250 nan 0.000 0.502 424 R N -0.924 119.243 120.500 -0.554 0.000 2.250 424 R HA 0.309 4.649 4.340 -0.000 0.000 0.194 424 R C 1.119 177.115 176.300 -0.506 0.000 0.927 424 R CA 0.443 56.157 56.100 -0.643 0.000 1.052 424 R CB 0.247 29.834 30.300 -1.187 0.000 1.055 424 R HN 0.049 nan 8.270 nan 0.000 0.537 425 L N -1.535 119.419 121.223 -0.448 0.000 2.526 425 L HA 0.254 4.594 4.340 -0.000 0.000 0.210 425 L C -0.184 176.667 176.870 -0.031 0.000 1.048 425 L CA 0.516 55.208 54.840 -0.246 0.000 0.852 425 L CB -0.254 41.627 42.059 -0.298 0.000 1.128 425 L HN 0.161 nan 8.230 nan 0.000 0.482 426 W N 2.307 123.507 121.300 -0.166 0.000 2.419 426 W HA 0.127 4.787 4.660 -0.000 0.000 0.312 426 W C 0.266 176.743 176.519 -0.069 0.000 1.323 426 W CA 0.151 57.441 57.345 -0.091 0.000 1.293 426 W CB 0.478 29.887 29.460 -0.085 0.000 1.324 426 W HN 0.386 nan 8.180 nan 0.000 0.512 427 D N 3.156 123.337 120.400 -0.366 0.000 2.699 427 D HA -0.212 4.428 4.640 -0.000 0.000 0.239 427 D C -0.536 175.722 176.300 -0.070 0.000 1.136 427 D CA 1.092 54.948 54.000 -0.240 0.000 0.668 427 D CB -0.661 40.041 40.800 -0.164 0.000 1.060 427 D HN 0.351 nan 8.370 nan 0.000 0.429 428 Q N 0.353 120.118 119.800 -0.059 0.000 2.348 428 Q HA 0.385 4.725 4.340 -0.000 0.000 0.271 428 Q C -0.082 175.943 176.000 0.041 0.000 1.067 428 Q CA -0.662 55.135 55.803 -0.009 0.000 0.839 428 Q CB 1.209 29.917 28.738 -0.051 0.000 1.354 428 Q HN 0.182 nan 8.270 nan 0.000 0.447 429 D N 1.421 121.895 120.400 0.124 0.000 2.400 429 D HA 0.201 4.841 4.640 -0.000 0.000 0.238 429 D C 0.316 176.810 176.300 0.322 0.000 1.157 429 D CA 0.311 54.464 54.000 0.254 0.000 0.889 429 D CB 0.565 41.572 40.800 0.345 0.000 1.199 429 D HN 0.413 nan 8.370 nan 0.000 0.436 430 I N -2.609 118.181 120.570 0.367 0.000 3.108 430 I HA 0.815 4.985 4.170 -0.000 0.000 0.312 430 I C -1.002 175.397 176.117 0.470 0.000 1.095 430 I CA -1.338 60.198 61.300 0.393 0.000 1.000 430 I CB 2.166 40.271 38.000 0.175 0.000 1.229 430 I HN 0.273 nan 8.210 nan 0.000 0.454 431 A N 3.492 126.565 122.820 0.420 0.000 2.371 431 A HA 0.877 5.197 4.320 -0.000 0.000 0.311 431 A C -0.931 176.783 177.584 0.217 0.000 1.068 431 A CA -0.590 51.585 52.037 0.230 0.000 0.744 431 A CB 1.268 20.297 19.000 0.048 0.000 1.239 431 A HN 0.683 nan 8.150 nan 0.000 0.435 432 I N 1.046 121.722 120.570 0.178 0.000 2.608 432 I HA 0.732 4.902 4.170 -0.000 0.000 0.295 432 I C 0.141 176.321 176.117 0.104 0.000 1.049 432 I CA -0.636 60.750 61.300 0.145 0.000 1.063 432 I CB 2.338 40.425 38.000 0.144 0.000 1.248 432 I HN 0.786 nan 8.210 nan 0.000 0.424 433 A N 3.435 126.309 122.820 0.090 0.000 2.515 433 A HA 0.976 5.296 4.320 -0.000 0.000 0.298 433 A C -0.704 176.912 177.584 0.054 0.000 1.059 433 A CA -0.499 51.579 52.037 0.068 0.000 0.698 433 A CB 2.012 21.070 19.000 0.098 0.000 1.289 433 A HN 0.918 nan 8.150 nan 0.000 0.404 434 G N -0.745 108.071 108.800 0.027 0.000 2.646 434 G HA2 0.725 4.685 3.960 -0.000 0.000 0.291 434 G HA3 0.725 4.685 3.960 -0.000 0.000 0.291 434 G C -1.007 173.907 174.900 0.023 0.000 1.445 434 G CA 0.298 45.425 45.100 0.046 0.000 0.814 434 G HN 1.250 nan 8.290 nan 0.000 0.495 435 T N -1.653 112.953 114.554 0.087 0.000 2.816 435 T HA 0.821 5.171 4.350 -0.000 0.000 0.299 435 T C 0.541 175.343 174.700 0.170 0.000 1.230 435 T CA 1.342 63.477 62.100 0.058 0.000 1.007 435 T CB 1.176 70.028 68.868 -0.026 0.000 1.289 435 T HN 2.677 nan 8.240 nan 0.000 0.508 436 G N 1.649 110.510 108.800 0.102 0.000 2.527 436 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.227 436 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.227 436 G C -0.519 174.408 174.900 0.045 0.000 1.291 436 G CA -0.031 45.150 45.100 0.134 0.000 0.904 436 G HN 0.890 nan 8.290 nan 0.000 0.577 437 Q N 1.000 120.804 119.800 0.007 0.000 3.004 437 Q HA 0.381 4.721 4.340 -0.000 0.000 0.256 437 Q C 1.266 177.251 176.000 -0.024 0.000 1.387 437 Q CA 0.331 56.124 55.803 -0.018 0.000 0.962 437 Q CB -0.415 28.300 28.738 -0.037 0.000 1.676 437 Q HN 0.628 nan 8.270 nan 0.000 0.568 438 I N -2.306 118.258 120.570 -0.009 0.000 3.874 438 I HA 0.158 4.328 4.170 -0.000 0.000 0.331 438 I C 1.276 177.384 176.117 -0.015 0.000 1.489 438 I CA -0.162 61.132 61.300 -0.011 0.000 1.187 438 I CB 0.065 38.067 38.000 0.003 0.000 1.150 438 I HN 0.339 nan 8.210 nan 0.000 0.412 439 E N 2.429 122.618 120.200 -0.018 0.000 2.153 439 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 439 E C 2.114 178.699 176.600 -0.025 0.000 0.988 439 E CA 1.458 57.846 56.400 -0.019 0.000 0.811 439 E CB -0.020 29.668 29.700 -0.020 0.000 0.746 439 E HN 0.698 nan 8.360 nan 0.000 0.466 440 G N 0.751 109.532 108.800 -0.030 0.000 2.920 440 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.208 440 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.208 440 G C 0.406 175.282 174.900 -0.041 0.000 1.159 440 G CA -0.308 44.769 45.100 -0.039 0.000 0.784 440 G HN 0.185 nan 8.290 nan 0.000 0.535 441 L N 1.826 123.030 121.223 -0.031 0.000 2.325 441 L HA 0.438 4.778 4.340 -0.000 0.000 0.284 441 L C 0.025 176.878 176.870 -0.028 0.000 1.089 441 L CA -0.749 54.073 54.840 -0.029 0.000 0.836 441 L CB 0.401 42.451 42.059 -0.015 0.000 1.184 441 L HN -0.160 nan 8.230 nan 0.000 0.444 442 L N 4.134 125.332 121.223 -0.042 0.000 2.468 442 L HA 0.132 4.472 4.340 -0.000 0.000 0.253 442 L C 0.666 177.523 176.870 -0.022 0.000 1.237 442 L CA 0.138 54.953 54.840 -0.042 0.000 0.823 442 L CB -0.093 41.927 42.059 -0.065 0.000 1.124 442 L HN 0.782 nan 8.230 nan 0.000 0.504 443 D N -0.638 119.756 120.400 -0.011 0.000 2.346 443 D HA -0.187 4.453 4.640 -0.000 0.000 0.236 443 D C 1.001 177.327 176.300 0.043 0.000 1.259 443 D CA -0.068 53.949 54.000 0.028 0.000 0.898 443 D CB 0.308 41.125 40.800 0.027 0.000 1.178 443 D HN 0.526 nan 8.370 nan 0.000 0.457 444 Y N 0.336 120.622 120.300 -0.023 0.000 2.097 444 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 444 Y C 2.565 178.451 175.900 -0.023 0.000 1.152 444 Y CA 1.878 59.968 58.100 -0.018 0.000 1.136 444 Y CB -0.097 38.355 38.460 -0.013 0.000 0.975 444 Y HN 0.179 nan 8.280 nan 0.000 0.498 445 M N -0.062 119.604 119.600 0.110 0.000 2.202 445 M HA -0.211 4.269 4.480 -0.000 0.000 0.262 445 M C 2.089 178.340 176.300 -0.082 0.000 1.063 445 M CA 1.446 56.760 55.300 0.023 0.000 1.097 445 M CB -0.992 31.646 32.600 0.064 0.000 1.382 445 M HN 0.256 nan 8.290 nan 0.000 0.413 446 R N 0.302 120.752 120.500 -0.082 0.000 2.075 446 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 446 R C 2.026 178.237 176.300 -0.149 0.000 1.126 446 R CA 1.130 57.167 56.100 -0.105 0.000 0.963 446 R CB -0.580 29.666 30.300 -0.090 0.000 0.858 446 R HN 0.342 nan 8.270 nan 0.000 0.435 447 I N 0.338 120.793 120.570 -0.192 0.000 2.252 447 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 447 I C 2.380 178.332 176.117 -0.276 0.000 1.102 447 I CA 1.093 62.254 61.300 -0.232 0.000 1.385 447 I CB -0.956 36.890 38.000 -0.256 0.000 1.064 447 I HN 0.055 nan 8.210 nan 0.000 0.414 448 R N 1.553 121.836 120.500 -0.361 0.000 2.115 448 R HA -0.032 4.308 4.340 -0.000 0.000 0.230 448 R C 2.234 178.411 176.300 -0.205 0.000 1.111 448 R CA 1.557 57.465 56.100 -0.321 0.000 0.976 448 R CB -0.555 29.513 30.300 -0.386 0.000 0.870 448 R HN 0.167 nan 8.270 nan 0.000 0.445 449 S N 0.701 116.297 115.700 -0.174 0.000 2.419 449 S HA -0.083 4.387 4.470 -0.000 0.000 0.233 449 S C 0.834 175.321 174.600 -0.188 0.000 1.016 449 S CA 1.326 59.433 58.200 -0.154 0.000 0.974 449 S CB -0.229 62.902 63.200 -0.116 0.000 0.786 449 S HN 0.383 nan 8.310 nan 0.000 0.492 450 D N 0.856 121.142 120.400 -0.190 0.000 2.363 450 D HA 0.090 4.730 4.640 -0.000 0.000 0.226 450 D C 0.931 177.069 176.300 -0.269 0.000 1.020 450 D CA 0.312 54.190 54.000 -0.205 0.000 0.892 450 D CB -0.056 40.637 40.800 -0.179 0.000 0.900 450 D HN 0.243 nan 8.370 nan 0.000 0.531 451 M N 0.019 119.451 119.600 -0.279 0.000 2.682 451 M HA 0.051 4.531 4.480 -0.000 0.000 0.235 451 M C 0.546 176.492 176.300 -0.590 0.000 1.114 451 M CA 0.236 55.355 55.300 -0.302 0.000 1.053 451 M CB -1.041 31.432 32.600 -0.213 0.000 1.599 451 M HN -0.075 nan 8.290 nan 0.000 0.520 452 S N -1.210 114.082 115.700 -0.680 0.000 2.727 452 S HA 0.808 5.278 4.470 -0.000 0.000 0.278 452 S C -0.660 173.574 174.600 -0.609 0.000 1.186 452 S CA -1.068 56.409 58.200 -1.205 0.000 0.836 452 S CB 2.344 64.751 63.200 -1.322 0.000 1.186 452 S HN 0.194 nan 8.310 nan 0.000 0.499 453 M N 1.087 120.438 119.600 -0.416 0.000 2.572 453 M HA 0.482 4.962 4.480 -0.000 0.000 0.299 453 M C -0.892 175.461 176.300 0.088 0.000 1.205 453 M CA -0.827 54.458 55.300 -0.024 0.000 0.876 453 M CB 2.122 34.817 32.600 0.158 0.000 1.728 453 M HN 0.545 nan 8.290 nan 0.000 0.458 454 M N 2.158 121.798 119.600 0.067 0.000 2.239 454 M HA 0.304 4.784 4.480 -0.000 0.000 0.348 454 M C -0.319 176.060 176.300 0.133 0.000 1.239 454 M CA 0.875 56.224 55.300 0.081 0.000 1.114 454 M CB -0.315 32.317 32.600 0.054 0.000 1.641 454 M HN 0.614 nan 8.290 nan 0.000 0.453 455 R N 0.994 121.571 120.500 0.129 0.000 2.837 455 R HA 0.439 4.779 4.340 -0.000 0.000 0.271 455 R C -0.559 175.826 176.300 0.142 0.000 0.993 455 R CA -0.789 55.405 56.100 0.156 0.000 0.931 455 R CB 2.358 32.749 30.300 0.152 0.000 1.206 455 R HN 0.709 nan 8.270 nan 0.000 0.474 456 W N 0.000 121.321 121.300 0.035 0.000 2.388 456 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 456 W CA 0.000 57.360 57.345 0.024 0.000 1.226 456 W CB 0.000 29.470 29.460 0.017 0.000 1.126 456 W HN 0.000 nan 8.180 nan 0.000 0.535