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 2g50_1_E DATA FIRST_RESID 10 DATA SEQUENCE AFIQTQQLHA AMADTFLEHK CRLDIDSAPI TARNTGIICT IGPASRSVET DATA SEQUENCE LKEMIKSGMN VARMNFSHGT HEYHAETIKN VRTATESFAS DPILYRPVAV DATA SEQUENCE ALDTKGPEIR TGLIKGSGTA EVELKKGATL KITLDNAYME KCDENILWLD DATA SEQUENCE YKNICKVVDV GSKVYVDDGL ISLQVKQKGP DFLVTEVENG GFLGSKKGVN DATA SEQUENCE LPGAAVDLPA VSEKDIQDLK FGVEQDVDMV FASFIRKAAD VHEVRKILGE DATA SEQUENCE KGKNIKIISK IENHEGVRRF DEILEASDGI MVARGDLGIE IPAEKVFLAQ DATA SEQUENCE KMIIGRCNRA GKPVICATQM LESMIKKPRP TRAEGSDVAN AVLDGADCIM DATA SEQUENCE LSGETAKGDY PLEAVRMQHL IAREAEAAMF HRKLFEELAR ASSQSTDLME DATA SEQUENCE AMAMGSVEAS YKCLAAALIV LTESGRSAHQ VARYRPRAPI IAVTRNHQTA DATA SEQUENCE RQAHLYRGIF PVVCKDPVQE AWAEDVDLRV NLAMNVGKAR GFFKKGDVVI DATA SEQUENCE VLTGWRPGSG FTNTMRVVPV P 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.673 177.584 0.149 0.000 1.274 10 A CA 0.000 52.077 52.037 0.067 0.000 0.836 10 A CB 0.000 19.034 19.000 0.056 0.000 0.831 11 F N 1.390 121.317 119.950 -0.038 0.000 2.562 11 F HA 0.730 5.257 4.527 -0.000 0.000 0.319 11 F C -1.154 174.621 175.800 -0.043 0.000 1.154 11 F CA -1.139 56.842 58.000 -0.031 0.000 0.931 11 F CB 1.342 40.329 39.000 -0.022 0.000 1.198 11 F HN 0.369 nan 8.300 nan 0.000 0.444 12 I N 6.188 126.400 120.570 -0.597 0.000 2.322 12 I HA 0.162 4.332 4.170 -0.000 0.000 0.292 12 I C -0.186 175.338 176.117 -0.988 0.000 1.060 12 I CA -0.532 60.419 61.300 -0.581 0.000 1.309 12 I CB 0.773 38.574 38.000 -0.333 0.000 1.415 12 I HN 0.563 nan 8.210 nan 0.000 0.492 13 Q N 4.310 123.715 119.800 -0.659 0.000 2.361 13 Q HA 0.119 4.458 4.340 -0.000 0.000 0.276 13 Q C 0.631 176.467 176.000 -0.274 0.000 1.022 13 Q CA -0.016 55.521 55.803 -0.443 0.000 0.898 13 Q CB 0.371 29.050 28.738 -0.099 0.000 1.246 13 Q HN 0.735 nan 8.270 nan 0.000 0.410 14 T N -0.646 113.821 114.554 -0.145 0.000 2.748 14 T HA 0.043 4.393 4.350 -0.000 0.000 0.304 14 T C 0.403 175.089 174.700 -0.024 0.000 1.041 14 T CA -0.551 61.514 62.100 -0.059 0.000 1.033 14 T CB 0.616 69.496 68.868 0.019 0.000 0.995 14 T HN 0.741 nan 8.240 nan 0.000 0.536 15 Q N 0.308 120.102 119.800 -0.011 0.000 2.475 15 Q HA -0.246 4.094 4.340 -0.000 0.000 0.280 15 Q C -0.312 175.702 176.000 0.023 0.000 1.234 15 Q CA 0.635 56.446 55.803 0.013 0.000 0.873 15 Q CB -1.206 27.544 28.738 0.020 0.000 1.256 15 Q HN 0.818 nan 8.270 nan 0.000 0.475 16 Q N -2.289 117.509 119.800 -0.004 0.000 2.457 16 Q HA -0.249 4.091 4.340 -0.000 0.000 0.283 16 Q C 0.553 176.562 176.000 0.016 0.000 1.234 16 Q CA 1.520 57.315 55.803 -0.012 0.000 0.877 16 Q CB -1.857 26.869 28.738 -0.019 0.000 1.250 16 Q HN 0.708 nan 8.270 nan 0.000 0.481 17 L N -1.300 119.938 121.223 0.025 0.000 2.291 17 L HA -0.155 4.185 4.340 -0.000 0.000 0.214 17 L C 2.248 179.160 176.870 0.070 0.000 1.120 17 L CA 1.288 56.156 54.840 0.047 0.000 0.799 17 L CB -0.329 41.759 42.059 0.048 0.000 0.925 17 L HN 0.345 nan 8.230 nan 0.000 0.446 18 H N 0.453 119.494 119.070 -0.048 0.000 2.326 18 H HA -0.119 4.436 4.556 -0.000 0.000 0.301 18 H C 2.166 177.455 175.328 -0.065 0.000 1.081 18 H CA 1.539 57.555 56.048 -0.053 0.000 1.334 18 H CB 0.045 29.762 29.762 -0.075 0.000 1.385 18 H HN 0.232 nan 8.280 nan 0.000 0.504 19 A N 0.908 123.612 122.820 -0.193 0.000 1.978 19 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 19 A C 2.613 180.133 177.584 -0.107 0.000 1.170 19 A CA 1.749 53.583 52.037 -0.339 0.000 0.636 19 A CB -1.342 17.332 19.000 -0.543 0.000 0.810 19 A HN 0.624 nan 8.150 nan 0.000 0.448 20 A N -0.927 121.913 122.820 0.033 0.000 2.024 20 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 20 A C 1.947 179.610 177.584 0.133 0.000 1.164 20 A CA 1.830 53.958 52.037 0.153 0.000 0.643 20 A CB -0.412 18.653 19.000 0.108 0.000 0.806 20 A HN 0.462 nan 8.150 nan 0.000 0.451 21 M N -0.411 119.201 119.600 0.020 0.000 2.495 21 M HA 0.249 4.729 4.480 -0.000 0.000 0.237 21 M C 1.006 177.305 176.300 -0.001 0.000 1.131 21 M CA 0.099 55.408 55.300 0.015 0.000 1.032 21 M CB -1.275 31.323 32.600 -0.004 0.000 1.513 21 M HN 0.381 nan 8.290 nan 0.000 0.488 22 A N 1.175 123.972 122.820 -0.038 0.000 2.483 22 A HA 0.046 4.366 4.320 -0.000 0.000 0.238 22 A C 0.854 178.511 177.584 0.123 0.000 1.070 22 A CA 0.127 52.130 52.037 -0.056 0.000 0.770 22 A CB 0.315 19.181 19.000 -0.223 0.000 1.008 22 A HN 0.301 nan 8.150 nan 0.000 0.497 23 D N -0.394 120.045 120.400 0.066 0.000 2.271 23 D HA 0.039 4.679 4.640 -0.000 0.000 0.206 23 D C 0.932 177.290 176.300 0.097 0.000 0.967 23 D CA 1.847 55.892 54.000 0.076 0.000 0.867 23 D CB 0.160 40.979 40.800 0.032 0.000 0.960 23 D HN 0.765 nan 8.370 nan 0.000 0.509 24 T N -3.304 111.311 114.554 0.101 0.000 2.916 24 T HA 0.335 4.685 4.350 -0.000 0.000 0.292 24 T C 0.877 175.660 174.700 0.139 0.000 1.064 24 T CA -0.759 61.410 62.100 0.116 0.000 1.011 24 T CB 0.911 69.847 68.868 0.112 0.000 1.152 24 T HN -0.253 nan 8.240 nan 0.000 0.510 25 F N 0.245 120.355 119.950 0.266 0.000 2.126 25 F HA 0.027 4.554 4.527 -0.000 0.000 0.299 25 F C 2.247 178.077 175.800 0.050 0.000 1.096 25 F CA 1.049 59.162 58.000 0.188 0.000 1.255 25 F CB -0.546 38.559 39.000 0.174 0.000 0.997 25 F HN 0.459 nan 8.300 nan 0.000 0.479 26 L N 0.572 121.932 121.223 0.229 0.000 2.012 26 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 26 L C 2.320 179.205 176.870 0.026 0.000 1.073 26 L CA 1.995 56.898 54.840 0.105 0.000 0.748 26 L CB -0.933 41.177 42.059 0.085 0.000 0.891 26 L HN 0.108 nan 8.230 nan 0.000 0.431 27 E N -1.200 119.002 120.200 0.003 0.000 2.110 27 E HA -0.300 4.050 4.350 -0.000 0.000 0.193 27 E C 2.230 178.738 176.600 -0.153 0.000 0.988 27 E CA 1.654 58.016 56.400 -0.064 0.000 0.804 27 E CB -0.339 29.327 29.700 -0.056 0.000 0.745 27 E HN 0.726 nan 8.360 nan 0.000 0.458 28 H N 0.308 119.170 119.070 -0.346 0.000 2.289 28 H HA -0.075 4.481 4.556 -0.000 0.000 0.296 28 H C 1.831 176.981 175.328 -0.297 0.000 1.091 28 H CA 2.457 58.184 56.048 -0.535 0.000 1.274 28 H CB 0.102 29.192 29.762 -1.119 0.000 1.364 28 H HN 0.057 nan 8.280 nan 0.000 0.490 29 K N -0.634 119.671 120.400 -0.158 0.000 2.032 29 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 29 K C 2.461 178.972 176.600 -0.148 0.000 1.048 29 K CA 1.536 57.747 56.287 -0.127 0.000 0.927 29 K CB -0.352 32.141 32.500 -0.012 0.000 0.712 29 K HN 0.349 nan 8.250 nan 0.000 0.441 30 C N 0.532 119.764 119.300 -0.113 0.000 2.419 30 C HA -0.031 4.429 4.460 -0.000 0.000 0.283 30 C C 2.181 177.107 174.990 -0.105 0.000 1.373 30 C CA 0.518 59.484 59.018 -0.087 0.000 1.781 30 C CB -0.944 26.762 27.740 -0.057 0.000 1.886 30 C HN 0.361 nan 8.230 nan 0.000 0.520 31 R N -0.147 120.247 120.500 -0.178 0.000 2.300 31 R HA 0.223 4.563 4.340 -0.000 0.000 0.199 31 R C 0.199 176.404 176.300 -0.158 0.000 0.920 31 R CA -0.090 55.917 56.100 -0.155 0.000 1.046 31 R CB -0.016 30.113 30.300 -0.285 0.000 0.984 31 R HN 0.478 nan 8.270 nan 0.000 0.493 32 L N 1.957 123.053 121.223 -0.213 0.000 2.499 32 L HA -0.005 4.334 4.340 -0.000 0.000 0.273 32 L C -0.077 176.731 176.870 -0.103 0.000 1.195 32 L CA 0.411 55.141 54.840 -0.183 0.000 0.882 32 L CB 0.167 42.119 42.059 -0.179 0.000 1.133 32 L HN -0.047 nan 8.230 nan 0.000 0.483 33 D N 3.229 123.577 120.400 -0.085 0.000 2.620 33 D HA 0.208 4.848 4.640 -0.000 0.000 0.252 33 D C 0.738 177.002 176.300 -0.060 0.000 1.207 33 D CA -0.566 53.395 54.000 -0.065 0.000 0.884 33 D CB 1.507 42.270 40.800 -0.061 0.000 1.262 33 D HN 0.458 nan 8.370 nan 0.000 0.552 34 I N 0.007 120.546 120.570 -0.052 0.000 2.756 34 I HA -0.016 4.154 4.170 -0.000 0.000 0.262 34 I C 0.334 176.424 176.117 -0.045 0.000 1.225 34 I CA 0.864 62.138 61.300 -0.044 0.000 1.472 34 I CB 0.196 38.174 38.000 -0.037 0.000 1.094 34 I HN 0.043 nan 8.210 nan 0.000 0.454 35 D N 1.086 121.454 120.400 -0.054 0.000 2.349 35 D HA 0.063 4.703 4.640 -0.000 0.000 0.214 35 D C 0.752 177.005 176.300 -0.079 0.000 1.063 35 D CA 0.345 54.310 54.000 -0.059 0.000 0.847 35 D CB 0.446 41.209 40.800 -0.061 0.000 0.933 35 D HN 0.269 nan 8.370 nan 0.000 0.513 36 S N 0.852 116.504 115.700 -0.080 0.000 2.416 36 S HA 0.463 4.933 4.470 -0.000 0.000 0.287 36 S C 0.050 174.613 174.600 -0.062 0.000 1.139 36 S CA -0.690 57.455 58.200 -0.092 0.000 1.058 36 S CB 0.386 63.535 63.200 -0.084 0.000 0.967 36 S HN 0.168 nan 8.310 nan 0.000 0.495 37 A N 7.699 130.485 122.820 -0.058 0.000 2.450 37 A HA 0.569 4.889 4.320 -0.000 0.000 0.255 37 A C -2.052 175.521 177.584 -0.017 0.000 1.096 37 A CA -1.319 50.701 52.037 -0.028 0.000 0.778 37 A CB -0.088 18.904 19.000 -0.014 0.000 1.031 37 A HN 0.713 nan 8.150 nan 0.000 0.494 38 P HA 0.296 nan 4.420 nan 0.000 0.274 38 P C 0.094 177.395 177.300 0.001 0.000 1.256 38 P CA -0.265 62.830 63.100 -0.008 0.000 0.795 38 P CB 0.409 32.096 31.700 -0.021 0.000 1.038 39 I N -2.702 117.867 120.570 -0.002 0.000 3.211 39 I HA 0.177 4.347 4.170 -0.000 0.000 0.297 39 I C 1.213 177.334 176.117 0.006 0.000 1.095 39 I CA -0.433 60.870 61.300 0.005 0.000 1.239 39 I CB -0.472 37.520 38.000 -0.014 0.000 1.455 39 I HN 0.156 nan 8.210 nan 0.000 0.630 40 T N 2.129 116.709 114.554 0.043 0.000 2.777 40 T HA 0.017 4.367 4.350 -0.000 0.000 0.266 40 T C 1.075 175.828 174.700 0.089 0.000 1.040 40 T CA 1.217 63.379 62.100 0.104 0.000 1.141 40 T CB -0.317 68.663 68.868 0.187 0.000 0.868 40 T HN 0.767 nan 8.240 nan 0.000 0.444 41 A N 2.073 124.825 122.820 -0.113 0.000 2.498 41 A HA 0.402 4.722 4.320 -0.000 0.000 0.239 41 A C 0.594 178.095 177.584 -0.138 0.000 1.068 41 A CA -0.125 51.687 52.037 -0.375 0.000 0.766 41 A CB 0.148 18.578 19.000 -0.950 0.000 1.003 41 A HN 0.275 nan 8.150 nan 0.000 0.497 42 R N 2.319 122.808 120.500 -0.019 0.000 2.409 42 R HA 0.244 4.584 4.340 -0.000 0.000 0.313 42 R C -0.401 175.947 176.300 0.079 0.000 0.953 42 R CA -0.289 55.821 56.100 0.017 0.000 0.849 42 R CB 0.691 31.017 30.300 0.043 0.000 1.171 42 R HN 0.967 nan 8.270 nan 0.000 0.458 43 N N 0.690 119.423 118.700 0.055 0.000 2.395 43 N HA -0.012 4.728 4.740 -0.000 0.000 0.175 43 N C -0.358 175.225 175.510 0.121 0.000 1.029 43 N CA 0.510 53.617 53.050 0.096 0.000 0.897 43 N CB 0.411 38.949 38.487 0.085 0.000 0.991 43 N HN 0.422 nan 8.380 nan 0.000 0.441 44 T N 0.861 115.472 114.554 0.095 0.000 2.761 44 T HA 0.246 4.596 4.350 -0.000 0.000 0.296 44 T C 0.656 175.413 174.700 0.095 0.000 0.934 44 T CA -0.560 61.590 62.100 0.084 0.000 1.091 44 T CB 1.207 70.108 68.868 0.055 0.000 0.896 44 T HN 0.129 nan 8.240 nan 0.000 0.515 45 G N 2.721 111.578 108.800 0.095 0.000 2.491 45 G HA2 0.448 4.408 3.960 -0.000 0.000 0.238 45 G HA3 0.448 4.408 3.960 -0.000 0.000 0.238 45 G C -0.362 174.566 174.900 0.047 0.000 1.277 45 G CA -0.493 44.656 45.100 0.082 0.000 0.851 45 G HN 0.765 nan 8.290 nan 0.000 0.573 46 I N 1.906 122.488 120.570 0.020 0.000 2.382 46 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 46 I C -0.216 175.906 176.117 0.008 0.000 1.002 46 I CA -0.423 60.889 61.300 0.021 0.000 1.135 46 I CB 1.659 39.678 38.000 0.032 0.000 1.288 46 I HN 0.218 nan 8.210 nan 0.000 0.448 47 I N 5.793 126.387 120.570 0.039 0.000 2.354 47 I HA 0.364 4.534 4.170 -0.000 0.000 0.292 47 I C -0.646 175.517 176.117 0.077 0.000 0.989 47 I CA -0.409 60.937 61.300 0.076 0.000 1.188 47 I CB 1.433 39.514 38.000 0.134 0.000 1.342 47 I HN 0.508 nan 8.210 nan 0.000 0.457 48 C N 3.917 123.261 119.300 0.074 0.000 2.345 48 C HA 0.414 4.874 4.460 -0.000 0.000 0.323 48 C C 0.590 175.636 174.990 0.094 0.000 1.276 48 C CA -0.605 58.456 59.018 0.073 0.000 1.543 48 C CB 1.194 28.964 27.740 0.050 0.000 2.211 48 C HN 0.680 nan 8.230 nan 0.000 0.493 49 T N 5.130 119.746 114.554 0.104 0.000 2.814 49 T HA 0.308 4.658 4.350 -0.000 0.000 0.297 49 T C 0.273 175.038 174.700 0.108 0.000 0.956 49 T CA -0.001 62.172 62.100 0.121 0.000 1.123 49 T CB 0.054 69.000 68.868 0.129 0.000 0.902 49 T HN 0.363 nan 8.240 nan 0.000 0.528 50 I N 2.925 123.567 120.570 0.120 0.000 2.428 50 I HA 0.688 4.858 4.170 -0.000 0.000 0.296 50 I C 0.917 177.117 176.117 0.137 0.000 0.985 50 I CA -0.212 61.152 61.300 0.107 0.000 1.260 50 I CB 0.874 38.928 38.000 0.090 0.000 1.389 50 I HN 0.821 nan 8.210 nan 0.000 0.484 51 G N 6.009 114.877 108.800 0.115 0.000 2.650 51 G HA2 0.440 4.400 3.960 -0.000 0.000 0.310 51 G HA3 0.440 4.400 3.960 -0.000 0.000 0.310 51 G C -2.573 172.393 174.900 0.109 0.000 1.270 51 G CA -0.302 44.883 45.100 0.142 0.000 0.810 51 G HN 0.262 nan 8.290 nan 0.000 0.493 52 P HA -0.086 nan 4.420 nan 0.000 0.216 52 P C 1.825 179.147 177.300 0.038 0.000 1.150 52 P CA 2.294 65.440 63.100 0.076 0.000 0.843 52 P CB -0.004 31.725 31.700 0.049 0.000 0.787 53 A N -0.226 122.612 122.820 0.030 0.000 2.119 53 A HA -0.028 4.291 4.320 -0.000 0.000 0.217 53 A C 1.860 179.454 177.584 0.016 0.000 1.153 53 A CA 1.744 53.788 52.037 0.012 0.000 0.692 53 A CB -0.772 18.232 19.000 0.007 0.000 0.799 53 A HN 0.382 nan 8.150 nan 0.000 0.458 54 S N -2.415 113.303 115.700 0.029 0.000 2.893 54 S HA 0.227 4.697 4.470 -0.000 0.000 0.258 54 S C 1.109 175.723 174.600 0.023 0.000 1.034 54 S CA 0.126 58.343 58.200 0.029 0.000 1.167 54 S CB -0.127 63.098 63.200 0.041 0.000 1.137 54 S HN 0.507 nan 8.310 nan 0.000 0.650 55 R N 2.800 123.308 120.500 0.013 0.000 2.161 55 R HA 0.144 4.484 4.340 -0.000 0.000 0.213 55 R C 0.885 177.171 176.300 -0.023 0.000 1.055 55 R CA 1.002 57.093 56.100 -0.014 0.000 0.996 55 R CB -0.083 30.196 30.300 -0.036 0.000 0.901 55 R HN 0.513 nan 8.270 nan 0.000 0.456 56 S N -0.778 114.915 115.700 -0.011 0.000 2.579 56 S HA 0.025 4.495 4.470 -0.000 0.000 0.275 56 S C 1.428 176.026 174.600 -0.002 0.000 1.345 56 S CA -0.636 57.557 58.200 -0.011 0.000 1.031 56 S CB 1.719 64.915 63.200 -0.006 0.000 0.892 56 S HN -0.021 nan 8.310 nan 0.000 0.529 57 V N 2.189 122.099 119.914 -0.006 0.000 2.332 57 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 57 V C 2.779 178.878 176.094 0.008 0.000 1.055 57 V CA 2.401 64.701 62.300 -0.000 0.000 1.038 57 V CB -1.248 30.568 31.823 -0.011 0.000 0.651 57 V HN 1.080 nan 8.190 nan 0.000 0.450 58 E N -0.021 120.181 120.200 0.003 0.000 2.058 58 E HA -0.248 4.101 4.350 -0.000 0.000 0.194 58 E C 2.184 178.800 176.600 0.026 0.000 0.997 58 E CA 2.070 58.475 56.400 0.009 0.000 0.801 58 E CB -0.180 29.522 29.700 0.003 0.000 0.746 58 E HN 0.623 nan 8.360 nan 0.000 0.450 59 T N 1.417 115.984 114.554 0.022 0.000 2.777 59 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 59 T C 1.932 176.657 174.700 0.042 0.000 1.040 59 T CA 1.053 63.170 62.100 0.029 0.000 1.141 59 T CB -0.182 68.698 68.868 0.019 0.000 0.868 59 T HN 0.144 nan 8.240 nan 0.000 0.444 60 L N 0.503 121.751 121.223 0.043 0.000 2.079 60 L HA -0.137 4.202 4.340 -0.000 0.000 0.210 60 L C 2.631 179.561 176.870 0.099 0.000 1.081 60 L CA 1.421 56.295 54.840 0.057 0.000 0.752 60 L CB -0.443 41.646 42.059 0.049 0.000 0.896 60 L HN 0.227 nan 8.230 nan 0.000 0.433 61 K N -0.406 120.068 120.400 0.123 0.000 2.032 61 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 61 K C 2.077 178.808 176.600 0.217 0.000 1.048 61 K CA 1.271 57.705 56.287 0.245 0.000 0.927 61 K CB -0.086 32.506 32.500 0.153 0.000 0.712 61 K HN 0.214 nan 8.250 nan 0.000 0.441 62 E N 0.497 120.769 120.200 0.120 0.000 2.150 62 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 62 E C 1.952 178.575 176.600 0.038 0.000 0.985 62 E CA 1.154 57.600 56.400 0.077 0.000 0.814 62 E CB -0.084 29.650 29.700 0.056 0.000 0.752 62 E HN 0.384 nan 8.360 nan 0.000 0.466 63 M N -0.050 119.572 119.600 0.037 0.000 2.175 63 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 63 M C 2.267 178.552 176.300 -0.025 0.000 1.063 63 M CA 1.009 56.316 55.300 0.011 0.000 1.119 63 M CB -0.186 32.426 32.600 0.021 0.000 1.377 63 M HN 0.038 nan 8.290 nan 0.000 0.415 64 I N 0.138 120.694 120.570 -0.023 0.000 2.179 64 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 64 I C 2.223 178.225 176.117 -0.192 0.000 1.088 64 I CA 1.461 62.693 61.300 -0.114 0.000 1.357 64 I CB -0.380 37.555 38.000 -0.108 0.000 1.051 64 I HN 0.228 nan 8.210 nan 0.000 0.409 65 K N 0.310 120.613 120.400 -0.161 0.000 2.147 65 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 65 K C 2.142 178.659 176.600 -0.138 0.000 1.049 65 K CA 1.481 57.667 56.287 -0.168 0.000 0.936 65 K CB -0.131 32.332 32.500 -0.062 0.000 0.722 65 K HN 0.169 nan 8.250 nan 0.000 0.446 66 S N -0.979 114.660 115.700 -0.102 0.000 2.489 66 S HA 0.035 4.504 4.470 -0.000 0.000 0.228 66 S C 1.230 175.733 174.600 -0.163 0.000 0.995 66 S CA 0.920 59.054 58.200 -0.109 0.000 0.934 66 S CB 0.606 63.781 63.200 -0.041 0.000 0.771 66 S HN 0.624 nan 8.310 nan 0.000 0.522 67 G N 0.840 109.555 108.800 -0.141 0.000 2.370 67 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.174 67 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.174 67 G C 0.079 174.931 174.900 -0.080 0.000 1.002 67 G CA -0.255 44.772 45.100 -0.122 0.000 0.730 67 G HN 0.381 nan 8.290 nan 0.000 0.497 68 M N 1.318 120.869 119.600 -0.082 0.000 2.284 68 M HA 0.297 4.777 4.480 -0.000 0.000 0.351 68 M C 0.946 177.144 176.300 -0.169 0.000 1.443 68 M CA 1.036 56.287 55.300 -0.083 0.000 1.031 68 M CB 0.100 32.671 32.600 -0.048 0.000 1.893 68 M HN 0.247 nan 8.290 nan 0.000 0.456 69 N N 2.662 121.225 118.700 -0.229 0.000 2.463 69 N HA 0.182 4.922 4.740 -0.000 0.000 0.183 69 N C -1.044 174.243 175.510 -0.372 0.000 1.064 69 N CA -0.164 52.566 53.050 -0.534 0.000 0.879 69 N CB 0.967 39.003 38.487 -0.751 0.000 1.148 69 N HN 0.413 nan 8.380 nan 0.000 0.451 70 V N 0.818 120.650 119.914 -0.136 0.000 2.686 70 V HA 0.671 4.790 4.120 -0.000 0.000 0.306 70 V C -0.991 175.115 176.094 0.019 0.000 1.065 70 V CA -1.206 61.086 62.300 -0.013 0.000 0.894 70 V CB 1.631 33.503 31.823 0.081 0.000 1.004 70 V HN 0.083 nan 8.190 nan 0.000 0.424 71 A N 4.666 127.498 122.820 0.020 0.000 2.252 71 A HA 0.723 5.043 4.320 -0.000 0.000 0.309 71 A C 0.010 177.614 177.584 0.033 0.000 1.285 71 A CA -0.504 51.555 52.037 0.037 0.000 0.900 71 A CB 0.387 19.409 19.000 0.037 0.000 1.157 71 A HN 0.855 nan 8.150 nan 0.000 0.536 72 R N 3.900 124.443 120.500 0.071 0.000 2.265 72 R HA 0.490 4.829 4.340 -0.000 0.000 0.319 72 R C -0.898 175.469 176.300 0.111 0.000 1.006 72 R CA -0.510 55.630 56.100 0.066 0.000 0.880 72 R CB 0.518 30.930 30.300 0.186 0.000 1.077 72 R HN 0.666 nan 8.270 nan 0.000 0.454 73 M N 3.929 123.593 119.600 0.107 0.000 2.088 73 M HA 0.179 4.659 4.480 -0.000 0.000 0.346 73 M C -0.444 175.991 176.300 0.225 0.000 1.111 73 M CA -0.841 54.581 55.300 0.203 0.000 1.017 73 M CB 0.822 33.585 32.600 0.271 0.000 1.568 73 M HN 0.442 nan 8.290 nan 0.000 0.445 74 N N 2.781 121.625 118.700 0.240 0.000 2.437 74 N HA 0.206 4.945 4.740 -0.000 0.000 0.243 74 N C -0.397 175.239 175.510 0.210 0.000 1.041 74 N CA -0.216 52.982 53.050 0.246 0.000 0.940 74 N CB 0.247 38.888 38.487 0.256 0.000 1.133 74 N HN 0.370 nan 8.380 nan 0.000 0.506 75 F N 1.300 121.219 119.950 -0.053 0.000 2.804 75 F HA 0.109 4.636 4.527 -0.000 0.000 0.303 75 F C 2.079 177.880 175.800 0.000 0.000 1.154 75 F CA 0.099 58.070 58.000 -0.049 0.000 1.401 75 F CB -0.040 38.902 39.000 -0.096 0.000 1.106 75 F HN 0.457 nan 8.300 nan 0.000 0.568 76 S N -1.375 114.351 115.700 0.042 0.000 2.442 76 S HA -0.103 4.367 4.470 -0.000 0.000 0.236 76 S C 0.453 174.748 174.600 -0.508 0.000 1.007 76 S CA 0.961 59.012 58.200 -0.249 0.000 0.965 76 S CB -0.384 62.566 63.200 -0.416 0.000 0.773 76 S HN 0.337 nan 8.310 nan 0.000 0.504 77 H N -0.959 118.178 119.070 0.111 0.000 2.928 77 H HA 0.547 5.103 4.556 -0.000 0.000 0.371 77 H C 0.426 175.754 175.328 -0.001 0.000 1.186 77 H CA -0.214 55.852 56.048 0.030 0.000 1.134 77 H CB 1.209 30.963 29.762 -0.012 0.000 1.824 77 H HN 0.291 nan 8.280 nan 0.000 0.554 78 G N 1.029 109.805 108.800 -0.039 0.000 2.705 78 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 78 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 78 G C 0.013 174.818 174.900 -0.158 0.000 1.285 78 G CA -0.349 44.572 45.100 -0.298 0.000 0.800 78 G HN 0.869 nan 8.290 nan 0.000 0.611 79 T N -1.492 112.962 114.554 -0.166 0.000 2.847 79 T HA 0.538 4.887 4.350 -0.000 0.000 0.279 79 T C 1.374 176.083 174.700 0.014 0.000 0.984 79 T CA 0.509 62.567 62.100 -0.070 0.000 0.988 79 T CB 1.209 70.042 68.868 -0.058 0.000 1.040 79 T HN 0.686 nan 8.240 nan 0.000 0.528 80 H N -0.408 118.541 119.070 -0.202 0.000 2.387 80 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 80 H C 2.299 177.542 175.328 -0.142 0.000 1.099 80 H CA 1.548 57.320 56.048 -0.460 0.000 1.315 80 H CB 0.220 29.505 29.762 -0.795 0.000 1.380 80 H HN 0.856 nan 8.280 nan 0.000 0.513 81 E N 0.695 120.946 120.200 0.084 0.000 2.058 81 E HA -0.258 4.091 4.350 -0.000 0.000 0.194 81 E C 1.975 178.635 176.600 0.099 0.000 0.997 81 E CA 1.226 57.691 56.400 0.108 0.000 0.801 81 E CB -0.196 29.549 29.700 0.074 0.000 0.746 81 E HN 0.473 nan 8.360 nan 0.000 0.450 82 Y N 0.557 120.801 120.300 -0.093 0.000 2.128 82 Y HA -0.262 4.288 4.550 -0.000 0.000 0.284 82 Y C 2.133 177.931 175.900 -0.171 0.000 1.154 82 Y CA 2.562 60.551 58.100 -0.185 0.000 1.149 82 Y CB -0.396 37.857 38.460 -0.345 0.000 0.976 82 Y HN 0.239 nan 8.280 nan 0.000 0.505 83 H N -1.233 117.894 119.070 0.094 0.000 2.389 83 H HA -0.011 4.544 4.556 -0.000 0.000 0.299 83 H C 2.270 177.711 175.328 0.188 0.000 1.081 83 H CA 0.871 56.966 56.048 0.077 0.000 1.345 83 H CB -0.194 29.541 29.762 -0.045 0.000 1.393 83 H HN 0.442 nan 8.280 nan 0.000 0.520 84 A N 0.872 123.934 122.820 0.405 0.000 1.908 84 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 84 A C 2.172 179.829 177.584 0.122 0.000 1.181 84 A CA 1.956 54.191 52.037 0.328 0.000 0.627 84 A CB -0.407 18.826 19.000 0.388 0.000 0.818 84 A HN 0.568 nan 8.150 nan 0.000 0.445 85 E N -0.826 119.392 120.200 0.030 0.000 2.072 85 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 85 E C 1.955 178.502 176.600 -0.089 0.000 0.985 85 E CA 1.507 57.874 56.400 -0.053 0.000 0.801 85 E CB -0.148 29.480 29.700 -0.119 0.000 0.750 85 E HN 0.554 nan 8.360 nan 0.000 0.452 86 T N 1.354 115.820 114.554 -0.146 0.000 2.684 86 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 86 T C 1.890 176.592 174.700 0.002 0.000 1.036 86 T CA 1.515 63.556 62.100 -0.100 0.000 1.148 86 T CB -0.236 68.580 68.868 -0.086 0.000 0.863 86 T HN 0.190 nan 8.240 nan 0.000 0.436 87 I N 0.858 121.461 120.570 0.056 0.000 2.226 87 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 87 I C 2.668 178.805 176.117 0.033 0.000 1.100 87 I CA 1.289 62.624 61.300 0.059 0.000 1.374 87 I CB -0.343 37.702 38.000 0.075 0.000 1.057 87 I HN 0.199 nan 8.210 nan 0.000 0.413 88 K N 1.047 121.462 120.400 0.025 0.000 2.032 88 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 88 K C 1.897 178.504 176.600 0.012 0.000 1.048 88 K CA 1.926 58.223 56.287 0.016 0.000 0.927 88 K CB -0.067 32.440 32.500 0.011 0.000 0.712 88 K HN 0.258 nan 8.250 nan 0.000 0.441 89 N N 0.480 119.180 118.700 -0.001 0.000 2.188 89 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 89 N C 1.809 177.331 175.510 0.019 0.000 1.018 89 N CA 1.062 54.111 53.050 -0.001 0.000 0.858 89 N CB -0.383 38.091 38.487 -0.022 0.000 0.989 89 N HN -0.000 nan 8.380 nan 0.000 0.426 90 V N 1.411 121.341 119.914 0.027 0.000 2.287 90 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 90 V C 2.279 178.409 176.094 0.059 0.000 1.053 90 V CA 1.630 63.956 62.300 0.044 0.000 1.027 90 V CB -0.368 31.481 31.823 0.043 0.000 0.646 90 V HN 0.282 nan 8.190 nan 0.000 0.447 91 R N -0.534 119.999 120.500 0.054 0.000 2.092 91 R HA -0.108 4.231 4.340 -0.000 0.000 0.231 91 R C 2.421 178.763 176.300 0.070 0.000 1.119 91 R CA 1.780 57.922 56.100 0.070 0.000 0.970 91 R CB -0.662 29.672 30.300 0.056 0.000 0.864 91 R HN 0.503 nan 8.270 nan 0.000 0.440 92 T N 0.930 115.510 114.554 0.043 0.000 2.708 92 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 92 T C 1.960 176.675 174.700 0.024 0.000 1.037 92 T CA 1.528 63.642 62.100 0.025 0.000 1.146 92 T CB -0.268 68.603 68.868 0.005 0.000 0.865 92 T HN 0.380 nan 8.240 nan 0.000 0.435 93 A N 1.282 124.127 122.820 0.041 0.000 1.902 93 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 93 A C 2.572 180.249 177.584 0.156 0.000 1.181 93 A CA 2.126 54.199 52.037 0.060 0.000 0.623 93 A CB -1.278 17.777 19.000 0.093 0.000 0.818 93 A HN 0.481 nan 8.150 nan 0.000 0.443 94 T N 0.120 114.787 114.554 0.187 0.000 2.708 94 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 94 T C 1.676 176.608 174.700 0.386 0.000 1.037 94 T CA 1.529 63.792 62.100 0.271 0.000 1.146 94 T CB -0.240 68.734 68.868 0.177 0.000 0.865 94 T HN 0.446 nan 8.240 nan 0.000 0.435 95 E N 1.514 121.867 120.200 0.256 0.000 2.418 95 E HA -0.022 4.328 4.350 -0.000 0.000 0.197 95 E C 2.456 179.116 176.600 0.101 0.000 1.026 95 E CA 0.635 57.165 56.400 0.217 0.000 0.862 95 E CB -0.471 29.297 29.700 0.113 0.000 0.799 95 E HN 0.658 nan 8.360 nan 0.000 0.518 96 S N -0.275 115.408 115.700 -0.028 0.000 2.469 96 S HA -0.093 4.377 4.470 -0.000 0.000 0.238 96 S C 1.419 175.825 174.600 -0.323 0.000 0.998 96 S CA 0.514 58.568 58.200 -0.244 0.000 0.957 96 S CB -0.409 62.531 63.200 -0.433 0.000 0.764 96 S HN 0.136 nan 8.310 nan 0.000 0.514 97 F N 1.104 121.137 119.950 0.139 0.000 2.727 97 F HA 0.581 5.108 4.527 -0.000 0.000 0.302 97 F C 2.218 178.168 175.800 0.249 0.000 1.097 97 F CA -0.253 57.848 58.000 0.169 0.000 1.330 97 F CB -0.276 38.812 39.000 0.146 0.000 1.084 97 F HN 0.274 nan 8.300 nan 0.000 0.578 98 A N -0.011 122.988 122.820 0.298 0.000 2.168 98 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 98 A C 2.303 179.877 177.584 -0.018 0.000 1.152 98 A CA 1.438 53.478 52.037 0.004 0.000 0.716 98 A CB -0.856 18.027 19.000 -0.194 0.000 0.794 98 A HN 0.350 nan 8.150 nan 0.000 0.465 99 S N -0.649 115.074 115.700 0.039 0.000 2.447 99 S HA -0.093 4.377 4.470 -0.000 0.000 0.233 99 S C 0.545 175.166 174.600 0.034 0.000 1.006 99 S CA 0.927 59.138 58.200 0.018 0.000 0.957 99 S CB -0.168 63.042 63.200 0.016 0.000 0.773 99 S HN 0.428 nan 8.310 nan 0.000 0.507 100 D N 1.984 122.433 120.400 0.081 0.000 2.472 100 D HA 0.426 5.066 4.640 -0.000 0.000 0.234 100 D C -2.217 174.144 176.300 0.101 0.000 1.088 100 D CA -2.591 51.458 54.000 0.082 0.000 0.882 100 D CB 1.751 42.610 40.800 0.098 0.000 1.037 100 D HN -0.023 nan 8.370 nan 0.000 0.520 101 P HA -0.069 nan 4.420 nan 0.000 0.222 101 P C 1.491 178.846 177.300 0.092 0.000 1.147 101 P CA 0.472 63.605 63.100 0.055 0.000 0.790 101 P CB 0.394 32.100 31.700 0.010 0.000 0.780 102 I N -1.752 118.861 120.570 0.072 0.000 2.500 102 I HA -0.076 4.094 4.170 -0.000 0.000 0.252 102 I C 2.002 178.159 176.117 0.066 0.000 1.142 102 I CA 1.369 62.703 61.300 0.058 0.000 1.451 102 I CB -1.055 36.961 38.000 0.026 0.000 1.093 102 I HN 0.038 nan 8.210 nan 0.000 0.430 103 L N -1.266 120.008 121.223 0.085 0.000 2.556 103 L HA 0.072 4.412 4.340 -0.000 0.000 0.226 103 L C 0.764 177.678 176.870 0.075 0.000 1.089 103 L CA -0.239 54.639 54.840 0.065 0.000 0.864 103 L CB -0.240 41.849 42.059 0.049 0.000 1.067 103 L HN 0.041 nan 8.230 nan 0.000 0.477 104 Y N 3.069 123.381 120.300 0.019 0.000 2.805 104 Y HA -0.046 4.503 4.550 -0.000 0.000 0.331 104 Y C 0.226 176.096 175.900 -0.051 0.000 1.241 104 Y CA -0.076 58.035 58.100 0.018 0.000 1.546 104 Y CB 0.225 38.706 38.460 0.035 0.000 1.248 104 Y HN -0.015 nan 8.280 nan 0.000 0.559 105 R N 7.878 127.945 120.500 -0.720 0.000 2.310 105 R HA 0.359 4.699 4.340 -0.000 0.000 0.324 105 R C -2.717 173.066 176.300 -0.862 0.000 0.955 105 R CA -2.722 52.989 56.100 -0.650 0.000 0.830 105 R CB 0.732 30.767 30.300 -0.442 0.000 1.154 105 R HN 0.521 nan 8.270 nan 0.000 0.458 106 P HA 0.080 nan 4.420 nan 0.000 0.268 106 P C -0.546 176.758 177.300 0.006 0.000 1.205 106 P CA -0.148 62.818 63.100 -0.223 0.000 0.771 106 P CB 0.689 32.353 31.700 -0.059 0.000 0.858 107 V N 2.160 122.091 119.914 0.028 0.000 2.577 107 V HA 0.602 4.722 4.120 -0.000 0.000 0.303 107 V C 0.205 176.354 176.094 0.093 0.000 1.042 107 V CA -0.874 61.447 62.300 0.035 0.000 0.872 107 V CB 1.622 33.432 31.823 -0.022 0.000 0.998 107 V HN 0.681 nan 8.190 nan 0.000 0.423 108 A N 4.393 127.286 122.820 0.122 0.000 2.302 108 A HA 0.828 5.148 4.320 -0.000 0.000 0.285 108 A C -0.501 177.108 177.584 0.042 0.000 1.105 108 A CA -0.444 51.657 52.037 0.108 0.000 0.816 108 A CB 1.159 20.255 19.000 0.160 0.000 1.067 108 A HN 0.718 nan 8.150 nan 0.000 0.489 109 V N 1.122 121.044 119.914 0.013 0.000 2.409 109 V HA 0.626 4.746 4.120 -0.000 0.000 0.291 109 V C 0.351 176.380 176.094 -0.107 0.000 1.020 109 V CA -0.152 62.132 62.300 -0.025 0.000 0.848 109 V CB 1.128 32.945 31.823 -0.010 0.000 0.990 109 V HN 1.176 nan 8.190 nan 0.000 0.430 110 A N 5.301 128.005 122.820 -0.194 0.000 2.330 110 A HA 0.855 5.175 4.320 -0.000 0.000 0.327 110 A C -0.932 176.419 177.584 -0.390 0.000 1.155 110 A CA -0.566 51.193 52.037 -0.463 0.000 0.803 110 A CB 1.271 19.690 19.000 -0.968 0.000 1.208 110 A HN 0.890 nan 8.150 nan 0.000 0.477 111 L N 2.474 123.449 121.223 -0.413 0.000 2.265 111 L HA 0.417 4.756 4.340 -0.000 0.000 0.289 111 L C -0.928 175.763 176.870 -0.299 0.000 1.033 111 L CA -0.520 54.127 54.840 -0.322 0.000 0.814 111 L CB 0.977 42.778 42.059 -0.431 0.000 1.203 111 L HN 0.725 nan 8.230 nan 0.000 0.423 112 D N 4.111 124.450 120.400 -0.101 0.000 2.373 112 D HA 0.163 4.803 4.640 -0.000 0.000 0.227 112 D C -0.155 176.187 176.300 0.070 0.000 1.091 112 D CA -0.196 53.836 54.000 0.054 0.000 0.840 112 D CB 1.482 42.399 40.800 0.195 0.000 1.060 112 D HN 0.609 nan 8.370 nan 0.000 0.502 113 T N 0.992 115.565 114.554 0.032 0.000 2.856 113 T HA 0.083 4.433 4.350 -0.000 0.000 0.306 113 T C 1.315 176.078 174.700 0.105 0.000 1.062 113 T CA -0.401 61.722 62.100 0.038 0.000 1.083 113 T CB 1.933 70.812 68.868 0.020 0.000 0.984 113 T HN 0.443 nan 8.240 nan 0.000 0.542 114 K N 1.886 122.363 120.400 0.128 0.000 2.001 114 K HA 0.146 4.466 4.320 -0.000 0.000 0.208 114 K C 1.308 178.008 176.600 0.167 0.000 1.048 114 K CA 1.230 57.590 56.287 0.123 0.000 0.932 114 K CB -1.117 31.444 32.500 0.101 0.000 0.715 114 K HN 1.156 nan 8.250 nan 0.000 0.437 115 G N 0.301 109.187 108.800 0.144 0.000 2.698 115 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.233 115 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.233 115 G C -2.378 172.585 174.900 0.106 0.000 1.352 115 G CA -0.142 45.068 45.100 0.183 0.000 0.879 115 G HN 0.299 nan 8.290 nan 0.000 0.567 116 P HA 0.202 nan 4.420 nan 0.000 0.225 116 P C 0.061 177.121 177.300 -0.400 0.000 1.768 116 P CA 0.294 63.269 63.100 -0.208 0.000 0.943 116 P CB -0.263 31.280 31.700 -0.262 0.000 1.936 117 E N 0.940 121.022 120.200 -0.197 0.000 2.366 117 E HA 0.282 4.632 4.350 -0.000 0.000 0.266 117 E C 0.186 176.674 176.600 -0.186 0.000 1.051 117 E CA -0.441 55.858 56.400 -0.168 0.000 0.884 117 E CB 0.903 30.615 29.700 0.019 0.000 1.006 117 E HN 0.329 nan 8.360 nan 0.000 0.417 118 I N 2.908 123.377 120.570 -0.168 0.000 2.378 118 I HA 0.380 4.550 4.170 -0.000 0.000 0.291 118 I C 0.093 176.201 176.117 -0.015 0.000 0.992 118 I CA -0.505 60.730 61.300 -0.109 0.000 1.154 118 I CB 1.247 39.176 38.000 -0.119 0.000 1.315 118 I HN 0.242 nan 8.210 nan 0.000 0.448 119 R N 2.849 123.358 120.500 0.015 0.000 2.744 119 R HA 0.515 4.854 4.340 -0.000 0.000 0.279 119 R C -0.363 175.993 176.300 0.094 0.000 0.977 119 R CA -0.800 55.346 56.100 0.078 0.000 0.906 119 R CB 2.577 32.950 30.300 0.121 0.000 1.197 119 R HN 0.745 nan 8.270 nan 0.000 0.463 120 T N -1.164 113.473 114.554 0.138 0.000 2.754 120 T HA 0.385 4.734 4.350 -0.000 0.000 0.286 120 T C 0.859 175.782 174.700 0.372 0.000 0.997 120 T CA -0.371 61.853 62.100 0.206 0.000 0.982 120 T CB 1.077 70.044 68.868 0.164 0.000 1.027 120 T HN 0.606 nan 8.240 nan 0.000 0.529 121 G N -0.460 108.643 108.800 0.505 0.000 2.543 121 G HA2 0.572 4.532 3.960 -0.000 0.000 0.267 121 G HA3 0.572 4.532 3.960 -0.000 0.000 0.267 121 G C -0.551 174.455 174.900 0.177 0.000 1.406 121 G CA -1.272 44.061 45.100 0.389 0.000 1.048 121 G HN 0.831 nan 8.290 nan 0.000 0.548 122 L N 0.870 122.136 121.223 0.071 0.000 2.312 122 L HA 0.292 4.632 4.340 -0.000 0.000 0.281 122 L C 0.126 177.029 176.870 0.056 0.000 1.070 122 L CA -0.910 53.958 54.840 0.048 0.000 0.805 122 L CB 1.276 43.335 42.059 0.000 0.000 1.174 122 L HN 0.212 nan 8.230 nan 0.000 0.434 123 I N 2.860 123.467 120.570 0.061 0.000 2.815 123 I HA -0.056 4.114 4.170 -0.000 0.000 0.291 123 I C 0.837 176.978 176.117 0.040 0.000 1.209 123 I CA 0.104 61.440 61.300 0.060 0.000 1.431 123 I CB 0.274 38.311 38.000 0.061 0.000 1.351 123 I HN 0.690 nan 8.210 nan 0.000 0.585 124 K N 4.511 124.937 120.400 0.043 0.000 2.397 124 K HA 0.109 4.429 4.320 -0.000 0.000 0.265 124 K C 1.114 177.726 176.600 0.020 0.000 0.982 124 K CA 0.176 56.480 56.287 0.029 0.000 0.931 124 K CB 0.197 32.721 32.500 0.039 0.000 0.943 124 K HN 0.688 nan 8.250 nan 0.000 0.501 125 G N 1.201 110.006 108.800 0.008 0.000 2.402 125 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 125 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 125 G C 0.435 175.341 174.900 0.010 0.000 1.162 125 G CA 0.657 45.760 45.100 0.004 0.000 0.777 125 G HN 0.830 nan 8.290 nan 0.000 0.539 126 S N -0.236 115.472 115.700 0.013 0.000 2.603 126 S HA 0.551 5.021 4.470 -0.000 0.000 0.268 126 S C 0.831 175.445 174.600 0.023 0.000 1.317 126 S CA 0.193 58.401 58.200 0.015 0.000 1.012 126 S CB 1.140 64.348 63.200 0.014 0.000 0.926 126 S HN 1.772 nan 8.310 nan 0.000 0.539 127 G N 1.202 110.016 108.800 0.022 0.000 2.698 127 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.233 127 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.233 127 G C 0.049 174.969 174.900 0.034 0.000 1.352 127 G CA -0.234 44.884 45.100 0.030 0.000 0.879 127 G HN 1.966 nan 8.290 nan 0.000 0.567 128 T N -1.488 113.094 114.554 0.047 0.000 2.856 128 T HA 0.594 4.944 4.350 -0.000 0.000 0.306 128 T C 1.841 176.571 174.700 0.051 0.000 1.062 128 T CA 0.860 62.990 62.100 0.050 0.000 1.083 128 T CB 1.308 70.223 68.868 0.078 0.000 0.984 128 T HN 2.197 nan 8.240 nan 0.000 0.542 129 A N 1.259 124.100 122.820 0.035 0.000 1.933 129 A HA 0.065 4.384 4.320 -0.000 0.000 0.218 129 A C 0.981 178.599 177.584 0.057 0.000 1.175 129 A CA 0.963 53.019 52.037 0.031 0.000 0.628 129 A CB -0.568 18.438 19.000 0.009 0.000 0.814 129 A HN 0.906 nan 8.150 nan 0.000 0.444 130 E N -1.168 119.083 120.200 0.086 0.000 2.227 130 E HA 0.481 4.831 4.350 -0.000 0.000 0.268 130 E C -0.751 175.981 176.600 0.218 0.000 0.907 130 E CA -0.634 55.857 56.400 0.151 0.000 0.786 130 E CB 2.402 32.212 29.700 0.183 0.000 1.191 130 E HN 0.286 nan 8.360 nan 0.000 0.411 131 V N -0.826 119.197 119.914 0.181 0.000 2.612 131 V HA 0.446 4.566 4.120 -0.000 0.000 0.301 131 V C -0.115 176.015 176.094 0.061 0.000 1.046 131 V CA -0.728 61.650 62.300 0.130 0.000 0.946 131 V CB 1.621 33.483 31.823 0.065 0.000 1.003 131 V HN 0.713 nan 8.190 nan 0.000 0.459 132 E N 3.360 123.508 120.200 -0.086 0.000 2.167 132 E HA 0.446 4.796 4.350 -0.000 0.000 0.284 132 E C -1.079 175.371 176.600 -0.249 0.000 1.016 132 E CA -0.603 55.533 56.400 -0.440 0.000 0.817 132 E CB 1.176 30.464 29.700 -0.686 0.000 1.080 132 E HN 0.780 nan 8.360 nan 0.000 0.397 133 L N 5.339 126.422 121.223 -0.233 0.000 2.265 133 L HA 0.343 4.683 4.340 -0.000 0.000 0.288 133 L C 0.242 177.017 176.870 -0.157 0.000 1.058 133 L CA -0.391 54.364 54.840 -0.142 0.000 0.809 133 L CB 0.790 42.795 42.059 -0.089 0.000 1.179 133 L HN 0.342 nan 8.230 nan 0.000 0.429 134 K N 3.620 123.949 120.400 -0.118 0.000 2.159 134 K HA 0.254 4.574 4.320 -0.000 0.000 0.266 134 K C -0.287 176.272 176.600 -0.068 0.000 0.975 134 K CA -0.907 55.320 56.287 -0.100 0.000 0.865 134 K CB 2.170 34.620 32.500 -0.084 0.000 1.087 134 K HN 0.398 nan 8.250 nan 0.000 0.446 135 K N 0.870 121.236 120.400 -0.057 0.000 2.504 135 K HA -0.140 4.180 4.320 -0.000 0.000 0.278 135 K C 0.762 177.341 176.600 -0.035 0.000 1.025 135 K CA 1.499 57.762 56.287 -0.040 0.000 1.093 135 K CB -0.095 32.388 32.500 -0.029 0.000 0.873 135 K HN 0.857 nan 8.250 nan 0.000 0.483 136 G N 1.988 110.769 108.800 -0.033 0.000 2.241 136 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.244 136 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.244 136 G C 0.193 175.075 174.900 -0.030 0.000 0.998 136 G CA 0.075 45.158 45.100 -0.028 0.000 0.621 136 G HN 0.966 nan 8.290 nan 0.000 0.519 137 A N 0.547 123.345 122.820 -0.036 0.000 2.366 137 A HA 0.697 5.017 4.320 -0.000 0.000 0.249 137 A C 0.974 178.537 177.584 -0.036 0.000 1.084 137 A CA 1.274 53.289 52.037 -0.036 0.000 0.794 137 A CB 0.188 19.162 19.000 -0.043 0.000 1.034 137 A HN 1.773 nan 8.150 nan 0.000 0.491 138 T N -0.795 113.739 114.554 -0.034 0.000 2.934 138 T HA 0.617 4.967 4.350 -0.000 0.000 0.283 138 T C -0.437 174.240 174.700 -0.038 0.000 1.005 138 T CA -0.575 61.505 62.100 -0.034 0.000 1.041 138 T CB 0.993 69.842 68.868 -0.031 0.000 1.042 138 T HN 1.043 nan 8.240 nan 0.000 0.505 139 L N 0.713 121.913 121.223 -0.038 0.000 2.505 139 L HA 0.578 4.918 4.340 -0.000 0.000 0.266 139 L C -0.816 176.032 176.870 -0.038 0.000 0.954 139 L CA -0.833 53.983 54.840 -0.040 0.000 0.852 139 L CB 2.003 44.042 42.059 -0.035 0.000 1.282 139 L HN 0.854 nan 8.230 nan 0.000 0.403 140 K N 5.569 125.934 120.400 -0.058 0.000 2.227 140 K HA 0.516 4.836 4.320 -0.000 0.000 0.280 140 K C -1.058 175.517 176.600 -0.042 0.000 1.041 140 K CA -0.508 55.744 56.287 -0.059 0.000 0.905 140 K CB 0.926 33.340 32.500 -0.143 0.000 1.068 140 K HN 0.643 nan 8.250 nan 0.000 0.470 141 I N 3.425 123.997 120.570 0.002 0.000 2.325 141 I HA 0.102 4.272 4.170 -0.000 0.000 0.291 141 I C 0.374 176.504 176.117 0.023 0.000 1.019 141 I CA -0.285 61.014 61.300 -0.002 0.000 1.302 141 I CB 1.752 39.742 38.000 -0.016 0.000 1.401 141 I HN 0.605 nan 8.210 nan 0.000 0.485 142 T N 6.059 120.616 114.554 0.005 0.000 2.912 142 T HA 0.560 4.910 4.350 -0.000 0.000 0.288 142 T C 0.530 175.239 174.700 0.015 0.000 1.030 142 T CA -0.522 61.608 62.100 0.051 0.000 1.020 142 T CB 1.203 70.076 68.868 0.009 0.000 1.056 142 T HN 0.490 nan 8.240 nan 0.000 0.480 143 L N 1.609 122.865 121.223 0.055 0.000 2.693 143 L HA 0.345 4.685 4.340 -0.000 0.000 0.235 143 L C 0.630 177.688 176.870 0.313 0.000 1.127 143 L CA -0.211 54.622 54.840 -0.012 0.000 0.914 143 L CB 0.284 42.310 42.059 -0.055 0.000 1.193 143 L HN 0.564 nan 8.230 nan 0.000 0.502 144 D N 0.978 121.622 120.400 0.408 0.000 2.382 144 D HA -0.047 4.593 4.640 -0.000 0.000 0.259 144 D C 0.904 177.510 176.300 0.511 0.000 1.224 144 D CA 0.233 54.490 54.000 0.428 0.000 0.894 144 D CB 0.773 41.832 40.800 0.432 0.000 1.127 144 D HN -0.015 nan 8.370 nan 0.000 0.487 145 N N 3.129 122.028 118.700 0.332 0.000 2.519 145 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 145 N C 1.474 176.894 175.510 -0.150 0.000 1.062 145 N CA 0.735 53.821 53.050 0.060 0.000 0.910 145 N CB -0.107 38.416 38.487 0.060 0.000 0.958 145 N HN 0.542 nan 8.380 nan 0.000 0.445 146 A N -0.189 122.571 122.820 -0.100 0.000 2.024 146 A HA -0.151 4.168 4.320 -0.000 0.000 0.220 146 A C 1.083 178.388 177.584 -0.465 0.000 1.164 146 A CA 1.098 52.945 52.037 -0.317 0.000 0.643 146 A CB -0.563 18.178 19.000 -0.431 0.000 0.806 146 A HN 0.364 nan 8.150 nan 0.000 0.451 147 Y N -1.815 118.434 120.300 -0.085 0.000 2.485 147 Y HA 0.284 4.833 4.550 -0.000 0.000 0.260 147 Y C 1.884 177.648 175.900 -0.226 0.000 1.173 147 Y CA 0.155 58.215 58.100 -0.066 0.000 1.252 147 Y CB -0.178 38.334 38.460 0.086 0.000 1.123 147 Y HN 0.301 nan 8.280 nan 0.000 0.524 148 M N 0.265 119.540 119.600 -0.542 0.000 2.202 148 M HA -0.219 4.261 4.480 -0.000 0.000 0.262 148 M C 0.397 176.425 176.300 -0.454 0.000 1.063 148 M CA 2.061 56.707 55.300 -1.089 0.000 1.097 148 M CB 0.156 31.921 32.600 -1.393 0.000 1.382 148 M HN 0.262 nan 8.290 nan 0.000 0.413 149 E N -0.619 119.424 120.200 -0.261 0.000 2.789 149 E HA 0.117 4.467 4.350 -0.000 0.000 0.208 149 E C -0.297 176.272 176.600 -0.052 0.000 0.988 149 E CA -0.043 56.279 56.400 -0.131 0.000 1.092 149 E CB 0.575 30.193 29.700 -0.137 0.000 1.066 149 E HN 0.407 nan 8.360 nan 0.000 0.465 150 K N 0.489 120.888 120.400 -0.001 0.000 2.826 150 K HA 0.240 4.560 4.320 -0.000 0.000 0.206 150 K C -0.387 176.291 176.600 0.130 0.000 1.116 150 K CA -0.262 56.061 56.287 0.061 0.000 1.045 150 K CB 0.601 33.136 32.500 0.059 0.000 0.758 150 K HN 0.030 nan 8.250 nan 0.000 0.465 151 C N 2.806 122.177 119.300 0.119 0.000 2.676 151 C HA 0.173 4.633 4.460 -0.000 0.000 0.416 151 C C 0.679 175.724 174.990 0.092 0.000 1.299 151 C CA -0.031 59.066 59.018 0.131 0.000 2.048 151 C CB -0.360 27.467 27.740 0.145 0.000 2.713 151 C HN 0.690 nan 8.230 nan 0.000 0.624 152 D N 0.234 120.678 120.400 0.073 0.000 2.946 152 D HA 0.115 4.755 4.640 -0.000 0.000 0.337 152 D C 0.561 176.879 176.300 0.030 0.000 1.332 152 D CA -0.515 53.517 54.000 0.052 0.000 0.935 152 D CB -0.063 40.765 40.800 0.048 0.000 1.440 152 D HN 0.488 nan 8.370 nan 0.000 0.540 153 E N -0.068 120.141 120.200 0.016 0.000 2.409 153 E HA -0.117 4.233 4.350 -0.000 0.000 0.198 153 E C 0.177 176.766 176.600 -0.018 0.000 1.024 153 E CA 0.901 57.297 56.400 -0.007 0.000 0.861 153 E CB -0.315 29.373 29.700 -0.019 0.000 0.788 153 E HN 0.376 nan 8.360 nan 0.000 0.521 154 N N 0.423 119.113 118.700 -0.017 0.000 2.482 154 N HA 0.211 4.951 4.740 -0.000 0.000 0.179 154 N C 0.414 175.887 175.510 -0.061 0.000 1.039 154 N CA 0.393 53.420 53.050 -0.037 0.000 0.884 154 N CB 1.101 39.567 38.487 -0.035 0.000 1.113 154 N HN 0.178 nan 8.380 nan 0.000 0.440 155 I N 1.279 121.817 120.570 -0.054 0.000 2.534 155 I HA 0.270 4.440 4.170 -0.000 0.000 0.288 155 I C -1.474 174.635 176.117 -0.013 0.000 1.077 155 I CA -0.804 60.437 61.300 -0.098 0.000 1.051 155 I CB 2.801 40.652 38.000 -0.248 0.000 1.234 155 I HN -0.199 nan 8.210 nan 0.000 0.425 156 L N 6.627 127.855 121.223 0.008 0.000 2.349 156 L HA 0.522 4.862 4.340 -0.000 0.000 0.278 156 L C -1.279 175.681 176.870 0.150 0.000 0.996 156 L CA -0.173 54.720 54.840 0.087 0.000 0.825 156 L CB 1.503 43.594 42.059 0.054 0.000 1.243 156 L HN 0.649 nan 8.230 nan 0.000 0.412 157 W N 7.278 128.602 121.300 0.039 0.000 2.381 157 W HA 0.607 5.267 4.660 -0.000 0.000 0.329 157 W C -1.284 175.273 176.519 0.063 0.000 1.157 157 W CA -0.465 56.918 57.345 0.064 0.000 1.240 157 W CB 1.215 30.741 29.460 0.109 0.000 1.199 157 W HN 0.539 nan 8.180 nan 0.000 0.579 158 L N 2.466 123.291 121.223 -0.664 0.000 2.403 158 L HA 0.578 4.918 4.340 -0.000 0.000 0.253 158 L C -0.039 175.979 176.870 -1.421 0.000 1.045 158 L CA -0.848 53.554 54.840 -0.731 0.000 0.845 158 L CB 1.579 43.481 42.059 -0.261 0.000 1.447 158 L HN 0.502 nan 8.230 nan 0.000 0.411 159 D N -1.336 118.574 120.400 -0.817 0.000 2.340 159 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 159 D C -0.099 176.101 176.300 -0.167 0.000 1.081 159 D CA 0.226 53.884 54.000 -0.570 0.000 0.842 159 D CB -0.210 40.543 40.800 -0.079 0.000 0.934 159 D HN 0.484 nan 8.370 nan 0.000 0.511 160 Y N 2.366 122.483 120.300 -0.305 0.000 2.595 160 Y HA 0.292 4.841 4.550 -0.000 0.000 0.347 160 Y C 0.839 176.638 175.900 -0.168 0.000 1.025 160 Y CA -1.494 56.496 58.100 -0.183 0.000 1.295 160 Y CB 0.737 39.104 38.460 -0.155 0.000 1.147 160 Y HN -0.293 nan 8.280 nan 0.000 0.515 161 K N 2.917 123.293 120.400 -0.040 0.000 2.283 161 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 161 K C 0.828 177.261 176.600 -0.279 0.000 1.048 161 K CA 0.709 56.911 56.287 -0.141 0.000 0.948 161 K CB 0.082 32.566 32.500 -0.027 0.000 0.742 161 K HN 0.672 nan 8.250 nan 0.000 0.458 162 N N 0.945 119.352 118.700 -0.489 0.000 2.268 162 N HA 0.073 4.813 4.740 -0.000 0.000 0.204 162 N C 1.343 176.346 175.510 -0.846 0.000 1.124 162 N CA -0.119 52.620 53.050 -0.518 0.000 0.838 162 N CB 0.306 38.650 38.487 -0.238 0.000 0.994 162 N HN 0.117 nan 8.380 nan 0.000 0.489 163 I N 0.318 120.219 120.570 -1.116 0.000 2.264 163 I HA -0.339 3.831 4.170 -0.000 0.000 0.248 163 I C 1.721 177.613 176.117 -0.373 0.000 1.111 163 I CA 1.243 62.049 61.300 -0.823 0.000 1.382 163 I CB 0.044 37.760 38.000 -0.472 0.000 1.060 163 I HN 0.246 nan 8.210 nan 0.000 0.418 164 C N 0.594 119.710 119.300 -0.307 0.000 2.432 164 C HA -0.085 4.374 4.460 -0.000 0.000 0.282 164 C C 2.446 177.332 174.990 -0.174 0.000 1.388 164 C CA 0.527 59.417 59.018 -0.213 0.000 1.777 164 C CB -1.194 26.418 27.740 -0.213 0.000 1.882 164 C HN 0.428 nan 8.230 nan 0.000 0.520 165 K N 1.120 121.410 120.400 -0.184 0.000 2.217 165 K HA -0.034 4.286 4.320 -0.000 0.000 0.202 165 K C 1.744 178.294 176.600 -0.083 0.000 1.051 165 K CA 1.144 57.358 56.287 -0.122 0.000 0.952 165 K CB -0.075 32.360 32.500 -0.109 0.000 0.736 165 K HN 0.566 nan 8.250 nan 0.000 0.453 166 V N -2.741 117.124 119.914 -0.083 0.000 3.645 166 V HA 0.247 4.366 4.120 -0.000 0.000 0.275 166 V C 0.460 176.546 176.094 -0.014 0.000 1.356 166 V CA -0.421 61.867 62.300 -0.019 0.000 1.051 166 V CB -0.048 31.808 31.823 0.055 0.000 0.828 166 V HN -0.074 nan 8.190 nan 0.000 0.441 167 V N -1.165 118.723 119.914 -0.043 0.000 2.732 167 V HA 0.729 4.848 4.120 -0.000 0.000 0.310 167 V C -0.904 175.161 176.094 -0.048 0.000 1.053 167 V CA -0.497 61.782 62.300 -0.034 0.000 0.957 167 V CB 1.756 33.557 31.823 -0.038 0.000 1.018 167 V HN 0.332 nan 8.190 nan 0.000 0.452 168 D N 1.146 121.525 120.400 -0.036 0.000 2.423 168 D HA 0.455 5.095 4.640 -0.000 0.000 0.235 168 D C -0.615 175.664 176.300 -0.036 0.000 1.011 168 D CA -0.476 53.501 54.000 -0.038 0.000 0.963 168 D CB 2.450 43.235 40.800 -0.026 0.000 1.349 168 D HN 0.523 nan 8.370 nan 0.000 0.508 169 V N 0.851 120.743 119.914 -0.037 0.000 2.644 169 V HA 0.275 4.394 4.120 -0.000 0.000 0.305 169 V C 1.553 177.634 176.094 -0.022 0.000 1.053 169 V CA 1.877 64.159 62.300 -0.030 0.000 1.186 169 V CB 0.385 32.192 31.823 -0.027 0.000 0.895 169 V HN 1.037 nan 8.190 nan 0.000 0.490 170 G N 3.810 112.597 108.800 -0.022 0.000 2.234 170 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.235 170 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.235 170 G C 0.460 175.350 174.900 -0.017 0.000 0.997 170 G CA 0.108 45.197 45.100 -0.017 0.000 0.623 170 G HN 0.764 nan 8.290 nan 0.000 0.514 171 S N 2.020 117.709 115.700 -0.019 0.000 2.558 171 S HA 0.429 4.899 4.470 -0.000 0.000 0.288 171 S C 0.445 175.022 174.600 -0.038 0.000 1.318 171 S CA 0.113 58.305 58.200 -0.014 0.000 1.056 171 S CB 0.894 64.086 63.200 -0.013 0.000 0.853 171 S HN 0.371 nan 8.310 nan 0.000 0.505 172 K N 2.093 122.473 120.400 -0.033 0.000 2.156 172 K HA 0.470 4.790 4.320 -0.000 0.000 0.271 172 K C -0.825 175.674 176.600 -0.168 0.000 0.995 172 K CA -0.494 55.708 56.287 -0.141 0.000 0.890 172 K CB 1.400 33.820 32.500 -0.134 0.000 1.073 172 K HN 0.319 nan 8.250 nan 0.000 0.454 173 V N 4.175 123.912 119.914 -0.295 0.000 2.409 173 V HA 0.321 4.441 4.120 -0.000 0.000 0.291 173 V C -1.000 174.877 176.094 -0.361 0.000 1.020 173 V CA -0.924 61.259 62.300 -0.194 0.000 0.848 173 V CB 0.748 32.513 31.823 -0.097 0.000 0.990 173 V HN 0.541 nan 8.190 nan 0.000 0.430 174 Y N 3.142 123.454 120.300 0.020 0.000 2.360 174 Y HA 0.732 5.282 4.550 -0.000 0.000 0.337 174 Y C 0.081 175.999 175.900 0.031 0.000 1.039 174 Y CA -0.783 57.332 58.100 0.026 0.000 1.109 174 Y CB 2.072 40.549 38.460 0.029 0.000 1.201 174 Y HN 0.374 nan 8.280 nan 0.000 0.458 175 V N 2.009 122.021 119.914 0.164 0.000 2.709 175 V HA 0.335 4.455 4.120 -0.000 0.000 0.308 175 V C -0.904 175.264 176.094 0.124 0.000 1.062 175 V CA -1.218 61.153 62.300 0.118 0.000 0.901 175 V CB 1.751 33.618 31.823 0.073 0.000 1.003 175 V HN 0.831 nan 8.190 nan 0.000 0.425 176 D N 3.600 124.069 120.400 0.115 0.000 3.437 176 D HA -0.167 4.472 4.640 -0.000 0.000 0.243 176 D C 0.323 176.686 176.300 0.104 0.000 1.104 176 D CA 1.307 55.372 54.000 0.107 0.000 1.009 176 D CB -0.939 39.921 40.800 0.100 0.000 0.937 176 D HN 1.046 nan 8.370 nan 0.000 0.417 177 D N 1.468 121.929 120.400 0.101 0.000 2.751 177 D HA -0.163 4.477 4.640 -0.000 0.000 0.233 177 D C 1.135 177.479 176.300 0.073 0.000 1.149 177 D CA 2.972 57.021 54.000 0.081 0.000 0.682 177 D CB -1.239 39.602 40.800 0.069 0.000 1.068 177 D HN 1.512 nan 8.370 nan 0.000 0.429 178 G N -1.395 107.468 108.800 0.105 0.000 2.168 178 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.257 178 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.257 178 G C 1.110 176.111 174.900 0.168 0.000 0.997 178 G CA 0.639 45.814 45.100 0.125 0.000 0.708 178 G HN 0.570 nan 8.290 nan 0.000 0.520 179 L N -0.943 120.363 121.223 0.138 0.000 2.209 179 L HA 0.352 4.692 4.340 -0.000 0.000 0.207 179 L C 1.611 178.553 176.870 0.121 0.000 1.094 179 L CA 0.569 55.479 54.840 0.116 0.000 0.790 179 L CB 0.021 42.136 42.059 0.093 0.000 0.932 179 L HN 0.284 nan 8.230 nan 0.000 0.447 180 I N -0.183 120.459 120.570 0.121 0.000 2.392 180 I HA 0.169 4.339 4.170 -0.000 0.000 0.295 180 I C 0.046 176.198 176.117 0.059 0.000 0.985 180 I CA -0.155 61.188 61.300 0.072 0.000 1.221 180 I CB 1.649 39.676 38.000 0.045 0.000 1.366 180 I HN 0.035 nan 8.210 nan 0.000 0.467 181 S N 6.985 122.667 115.700 -0.030 0.000 2.536 181 S HA 0.821 5.291 4.470 -0.000 0.000 0.287 181 S C -0.975 173.505 174.600 -0.201 0.000 1.101 181 S CA -0.866 57.194 58.200 -0.233 0.000 0.950 181 S CB 1.601 64.619 63.200 -0.304 0.000 1.056 181 S HN 0.454 nan 8.310 nan 0.000 0.481 182 L N 1.746 122.812 121.223 -0.261 0.000 2.370 182 L HA 0.644 4.984 4.340 -0.000 0.000 0.266 182 L C -0.361 176.404 176.870 -0.175 0.000 1.002 182 L CA -0.743 53.998 54.840 -0.164 0.000 0.818 182 L CB 2.122 44.111 42.059 -0.117 0.000 1.325 182 L HN 0.752 nan 8.230 nan 0.000 0.418 183 Q N 1.081 120.815 119.800 -0.110 0.000 2.333 183 Q HA 0.473 4.813 4.340 -0.000 0.000 0.267 183 Q C -1.282 174.683 176.000 -0.058 0.000 1.012 183 Q CA -0.742 55.009 55.803 -0.086 0.000 0.824 183 Q CB 2.428 31.128 28.738 -0.063 0.000 1.290 183 Q HN 0.477 nan 8.270 nan 0.000 0.449 184 V N 5.230 125.114 119.914 -0.051 0.000 2.529 184 V HA 0.003 4.123 4.120 -0.000 0.000 0.292 184 V C 0.721 176.800 176.094 -0.025 0.000 1.028 184 V CA 0.404 62.682 62.300 -0.035 0.000 1.074 184 V CB 0.817 32.617 31.823 -0.038 0.000 0.958 184 V HN 0.821 nan 8.190 nan 0.000 0.481 185 K N 3.080 123.472 120.400 -0.014 0.000 2.365 185 K HA 0.223 4.543 4.320 -0.000 0.000 0.195 185 K C 0.456 177.056 176.600 0.000 0.000 1.079 185 K CA 0.336 56.619 56.287 -0.007 0.000 0.979 185 K CB 0.849 33.347 32.500 -0.004 0.000 0.929 185 K HN 0.751 nan 8.250 nan 0.000 0.523 186 Q N 0.524 120.330 119.800 0.011 0.000 2.353 186 Q HA 0.279 4.619 4.340 -0.000 0.000 0.275 186 Q C -1.687 174.304 176.000 -0.014 0.000 1.029 186 Q CA -0.485 55.328 55.803 0.016 0.000 0.848 186 Q CB 2.108 30.887 28.738 0.068 0.000 1.390 186 Q HN -0.161 nan 8.270 nan 0.000 0.401 187 K N 1.144 121.489 120.400 -0.091 0.000 2.221 187 K HA 0.708 5.028 4.320 -0.000 0.000 0.258 187 K C -0.455 175.883 176.600 -0.436 0.000 0.944 187 K CA -0.538 55.615 56.287 -0.223 0.000 0.823 187 K CB 1.964 34.357 32.500 -0.177 0.000 1.113 187 K HN 0.718 nan 8.250 nan 0.000 0.431 188 G N 1.362 109.610 108.800 -0.921 0.000 3.013 188 G HA2 0.342 4.302 3.960 -0.000 0.000 0.278 188 G HA3 0.342 4.302 3.960 -0.000 0.000 0.278 188 G C -1.900 172.546 174.900 -0.757 0.000 1.353 188 G CA -1.158 43.136 45.100 -1.344 0.000 1.043 188 G HN 0.312 nan 8.290 nan 0.000 0.523 189 P HA -0.044 nan 4.420 nan 0.000 0.214 189 P C 0.301 177.484 177.300 -0.195 0.000 1.163 189 P CA 1.610 64.575 63.100 -0.226 0.000 0.883 189 P CB 0.209 31.860 31.700 -0.082 0.000 0.788 190 D N -1.480 118.838 120.400 -0.138 0.000 2.837 190 D HA 0.196 4.836 4.640 -0.000 0.000 0.340 190 D C -0.097 176.246 176.300 0.072 0.000 1.451 190 D CA -0.479 53.498 54.000 -0.037 0.000 0.798 190 D CB -0.375 40.454 40.800 0.048 0.000 1.169 190 D HN 0.261 nan 8.370 nan 0.000 0.449 191 F N -1.332 118.582 119.950 -0.061 0.000 2.686 191 F HA 0.685 5.212 4.527 -0.000 0.000 0.311 191 F C -2.375 173.382 175.800 -0.072 0.000 1.128 191 F CA -1.326 56.633 58.000 -0.068 0.000 0.946 191 F CB 1.336 40.301 39.000 -0.058 0.000 1.336 191 F HN -0.250 nan 8.300 nan 0.000 0.457 192 L N 3.068 124.417 121.223 0.210 0.000 2.408 192 L HA 0.740 5.079 4.340 -0.000 0.000 0.268 192 L C -0.907 176.081 176.870 0.196 0.000 0.986 192 L CA -1.391 53.518 54.840 0.115 0.000 0.820 192 L CB 2.009 44.068 42.059 -0.000 0.000 1.303 192 L HN 0.785 nan 8.230 nan 0.000 0.411 193 V N 1.873 121.893 119.914 0.178 0.000 2.394 193 V HA 0.785 4.905 4.120 -0.000 0.000 0.282 193 V C 0.019 176.132 176.094 0.031 0.000 1.031 193 V CA 0.217 62.572 62.300 0.092 0.000 0.881 193 V CB 1.649 33.527 31.823 0.090 0.000 0.982 193 V HN 0.913 nan 8.190 nan 0.000 0.451 194 T N 2.467 117.022 114.554 0.002 0.000 2.930 194 T HA 0.616 4.966 4.350 -0.000 0.000 0.290 194 T C -0.617 174.067 174.700 -0.028 0.000 1.052 194 T CA -0.654 61.434 62.100 -0.020 0.000 1.017 194 T CB 1.913 70.760 68.868 -0.035 0.000 1.137 194 T HN 0.914 nan 8.240 nan 0.000 0.511 195 E N 1.069 121.248 120.200 -0.036 0.000 2.171 195 E HA 0.514 4.864 4.350 -0.000 0.000 0.271 195 E C -0.859 175.712 176.600 -0.049 0.000 0.916 195 E CA -0.979 55.398 56.400 -0.037 0.000 0.774 195 E CB 1.632 31.313 29.700 -0.032 0.000 1.128 195 E HN 0.571 nan 8.360 nan 0.000 0.403 196 V N 5.033 124.919 119.914 -0.048 0.000 2.446 196 V HA -0.035 4.085 4.120 -0.000 0.000 0.276 196 V C 1.228 177.293 176.094 -0.049 0.000 1.030 196 V CA 0.568 62.836 62.300 -0.053 0.000 1.033 196 V CB 0.891 32.683 31.823 -0.052 0.000 0.993 196 V HN 0.863 nan 8.190 nan 0.000 0.477 197 E N 4.388 124.554 120.200 -0.057 0.000 2.065 197 E HA 0.020 4.369 4.350 -0.000 0.000 0.191 197 E C 0.303 176.888 176.600 -0.024 0.000 0.960 197 E CA 0.255 56.630 56.400 -0.042 0.000 0.824 197 E CB 0.366 30.032 29.700 -0.055 0.000 0.793 197 E HN 0.713 nan 8.360 nan 0.000 0.459 198 N N 0.934 119.622 118.700 -0.021 0.000 2.476 198 N HA 0.266 5.006 4.740 -0.000 0.000 0.257 198 N C -0.403 175.100 175.510 -0.011 0.000 0.970 198 N CA -0.082 52.969 53.050 0.002 0.000 0.938 198 N CB 1.661 40.174 38.487 0.042 0.000 1.144 198 N HN 0.178 nan 8.380 nan 0.000 0.500 199 G N -0.131 108.653 108.800 -0.025 0.000 2.547 199 G HA2 0.729 4.689 3.960 -0.000 0.000 0.291 199 G HA3 0.729 4.689 3.960 -0.000 0.000 0.291 199 G C 0.088 174.957 174.900 -0.052 0.000 1.211 199 G CA -0.285 44.782 45.100 -0.055 0.000 0.950 199 G HN 0.628 nan 8.290 nan 0.000 0.504 200 G N -1.971 106.762 108.800 -0.112 0.000 2.315 200 G HA2 0.410 4.370 3.960 -0.000 0.000 0.294 200 G HA3 0.410 4.370 3.960 -0.000 0.000 0.294 200 G C -1.527 173.260 174.900 -0.187 0.000 1.300 200 G CA -1.050 43.992 45.100 -0.097 0.000 0.843 200 G HN 0.459 nan 8.290 nan 0.000 0.527 201 F N -0.084 119.882 119.950 0.027 0.000 2.410 201 F HA 0.643 5.170 4.527 -0.000 0.000 0.348 201 F C 0.407 176.226 175.800 0.032 0.000 1.106 201 F CA -0.456 57.559 58.000 0.026 0.000 1.163 201 F CB 1.763 40.777 39.000 0.023 0.000 1.129 201 F HN 0.338 nan 8.300 nan 0.000 0.516 202 L N 3.601 124.934 121.223 0.184 0.000 2.313 202 L HA 0.762 5.102 4.340 -0.000 0.000 0.283 202 L C 0.019 176.966 176.870 0.129 0.000 1.013 202 L CA -0.001 54.915 54.840 0.127 0.000 0.816 202 L CB 1.060 43.167 42.059 0.080 0.000 1.236 202 L HN 0.625 nan 8.230 nan 0.000 0.419 203 G N 2.427 111.294 108.800 0.111 0.000 2.641 203 G HA2 0.529 4.489 3.960 -0.000 0.000 0.239 203 G HA3 0.529 4.489 3.960 -0.000 0.000 0.239 203 G C -0.913 174.040 174.900 0.087 0.000 1.402 203 G CA -0.568 44.586 45.100 0.090 0.000 1.046 203 G HN 0.601 nan 8.290 nan 0.000 0.565 204 S N 0.156 115.901 115.700 0.075 0.000 2.578 204 S HA 0.444 4.914 4.470 -0.000 0.000 0.283 204 S C -0.209 174.450 174.600 0.097 0.000 1.195 204 S CA -0.575 57.675 58.200 0.083 0.000 1.050 204 S CB 1.348 64.584 63.200 0.061 0.000 1.012 204 S HN 0.506 nan 8.310 nan 0.000 0.511 205 K N 0.741 121.218 120.400 0.128 0.000 3.148 205 K HA -0.126 4.194 4.320 -0.000 0.000 0.267 205 K C -0.791 175.897 176.600 0.146 0.000 0.996 205 K CA 0.606 56.984 56.287 0.151 0.000 0.737 205 K CB -1.082 31.503 32.500 0.141 0.000 1.308 205 K HN 0.432 nan 8.250 nan 0.000 0.470 206 K N 0.126 120.606 120.400 0.133 0.000 2.098 206 K HA 0.329 4.649 4.320 -0.000 0.000 0.261 206 K C 0.961 177.633 176.600 0.121 0.000 0.987 206 K CA -0.182 56.178 56.287 0.123 0.000 0.916 206 K CB 0.968 33.534 32.500 0.109 0.000 1.039 206 K HN 0.307 nan 8.250 nan 0.000 0.455 207 G N 0.486 109.360 108.800 0.123 0.000 2.406 207 G HA2 0.356 4.316 3.960 -0.000 0.000 0.251 207 G HA3 0.356 4.316 3.960 -0.000 0.000 0.251 207 G C -0.578 174.383 174.900 0.102 0.000 1.271 207 G CA -0.404 44.765 45.100 0.115 0.000 0.859 207 G HN 0.224 nan 8.290 nan 0.000 0.540 208 V N 3.547 123.507 119.914 0.076 0.000 2.495 208 V HA 0.386 4.506 4.120 -0.000 0.000 0.298 208 V C -0.226 175.907 176.094 0.064 0.000 1.031 208 V CA -1.040 61.304 62.300 0.073 0.000 0.871 208 V CB 1.651 33.501 31.823 0.045 0.000 0.988 208 V HN 0.755 nan 8.190 nan 0.000 0.432 209 N N 4.438 123.210 118.700 0.120 0.000 2.269 209 N HA 0.600 5.340 4.740 -0.000 0.000 0.304 209 N C -1.216 174.392 175.510 0.164 0.000 1.072 209 N CA -0.565 52.554 53.050 0.115 0.000 0.802 209 N CB 2.878 41.439 38.487 0.123 0.000 1.348 209 N HN 0.469 nan 8.380 nan 0.000 0.484 210 L N 2.728 124.013 121.223 0.104 0.000 2.581 210 L HA 0.335 4.674 4.340 -0.000 0.000 0.241 210 L C -1.798 175.138 176.870 0.109 0.000 1.265 210 L CA -1.430 53.479 54.840 0.115 0.000 0.954 210 L CB 1.281 43.388 42.059 0.081 0.000 1.269 210 L HN 0.251 nan 8.230 nan 0.000 0.475 211 P HA -0.112 nan 4.420 nan 0.000 0.220 211 P C 1.546 178.907 177.300 0.101 0.000 1.148 211 P CA 0.864 64.030 63.100 0.110 0.000 0.803 211 P CB 0.357 32.116 31.700 0.098 0.000 0.782 212 G N -1.336 107.527 108.800 0.104 0.000 2.880 212 G HA2 0.266 4.226 3.960 -0.000 0.000 0.209 212 G HA3 0.266 4.226 3.960 -0.000 0.000 0.209 212 G C 0.471 175.401 174.900 0.050 0.000 1.157 212 G CA 0.326 45.470 45.100 0.074 0.000 0.779 212 G HN 0.426 nan 8.290 nan 0.000 0.539 213 A N -0.102 122.749 122.820 0.052 0.000 2.306 213 A HA 0.774 5.093 4.320 -0.000 0.000 0.330 213 A C 0.272 177.876 177.584 0.032 0.000 1.146 213 A CA -0.067 51.995 52.037 0.042 0.000 0.827 213 A CB 1.284 20.319 19.000 0.058 0.000 1.178 213 A HN 0.719 nan 8.150 nan 0.000 0.490 214 A N 2.147 124.983 122.820 0.027 0.000 2.807 214 A HA 0.506 4.826 4.320 -0.000 0.000 0.307 214 A C 0.051 177.654 177.584 0.031 0.000 1.532 214 A CA -0.283 51.764 52.037 0.018 0.000 1.215 214 A CB -0.925 18.082 19.000 0.011 0.000 1.127 214 A HN 0.873 nan 8.150 nan 0.000 0.543 215 V N 3.034 122.953 119.914 0.008 0.000 2.540 215 V HA 0.008 4.128 4.120 -0.000 0.000 0.297 215 V C 0.903 176.981 176.094 -0.026 0.000 1.024 215 V CA 0.795 63.087 62.300 -0.014 0.000 1.105 215 V CB 0.701 32.418 31.823 -0.177 0.000 0.938 215 V HN 0.942 nan 8.190 nan 0.000 0.482 216 D N 3.826 124.263 120.400 0.060 0.000 2.388 216 D HA 0.114 4.754 4.640 -0.000 0.000 0.221 216 D C 0.296 176.606 176.300 0.016 0.000 1.133 216 D CA -0.288 53.740 54.000 0.048 0.000 0.831 216 D CB -0.043 40.808 40.800 0.084 0.000 0.962 216 D HN 0.426 nan 8.370 nan 0.000 0.502 217 L N 1.230 122.394 121.223 -0.098 0.000 2.467 217 L HA 0.241 4.581 4.340 -0.000 0.000 0.270 217 L C -1.576 175.254 176.870 -0.068 0.000 1.205 217 L CA -1.487 53.283 54.840 -0.116 0.000 0.828 217 L CB 0.065 41.954 42.059 -0.284 0.000 1.101 217 L HN -0.042 nan 8.230 nan 0.000 0.479 218 P HA 0.042 nan 4.420 nan 0.000 0.271 218 P C -0.028 177.265 177.300 -0.012 0.000 1.218 218 P CA -0.299 62.794 63.100 -0.011 0.000 0.780 218 P CB 1.065 32.768 31.700 0.005 0.000 0.901 219 A N 3.062 125.885 122.820 0.004 0.000 1.933 219 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 219 A C 0.935 178.539 177.584 0.033 0.000 1.175 219 A CA 1.374 53.425 52.037 0.022 0.000 0.628 219 A CB -0.477 18.537 19.000 0.023 0.000 0.814 219 A HN 0.434 nan 8.150 nan 0.000 0.444 220 V N 1.283 121.213 119.914 0.026 0.000 2.398 220 V HA 0.340 4.460 4.120 -0.000 0.000 0.282 220 V C 0.156 176.268 176.094 0.028 0.000 1.014 220 V CA -0.308 62.011 62.300 0.031 0.000 0.838 220 V CB 0.950 32.790 31.823 0.029 0.000 1.018 220 V HN 0.524 nan 8.190 nan 0.000 0.432 221 S N 2.682 118.401 115.700 0.031 0.000 2.655 221 S HA 0.328 4.798 4.470 -0.000 0.000 0.265 221 S C 0.960 175.583 174.600 0.039 0.000 1.240 221 S CA -0.403 57.816 58.200 0.031 0.000 0.986 221 S CB 1.179 64.397 63.200 0.030 0.000 0.985 221 S HN 0.677 nan 8.310 nan 0.000 0.562 222 E N 0.533 120.756 120.200 0.039 0.000 2.085 222 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 222 E C 1.969 178.600 176.600 0.053 0.000 0.994 222 E CA 1.316 57.742 56.400 0.043 0.000 0.801 222 E CB -0.172 29.551 29.700 0.038 0.000 0.743 222 E HN 0.716 nan 8.360 nan 0.000 0.453 223 K N 0.857 121.290 120.400 0.054 0.000 2.057 223 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 223 K C 1.514 178.171 176.600 0.095 0.000 1.049 223 K CA 1.694 58.024 56.287 0.071 0.000 0.931 223 K CB 0.079 32.619 32.500 0.068 0.000 0.714 223 K HN -0.013 nan 8.250 nan 0.000 0.440 224 D N 0.960 121.405 120.400 0.074 0.000 2.117 224 D HA -0.157 4.482 4.640 -0.000 0.000 0.197 224 D C 1.975 178.306 176.300 0.051 0.000 0.987 224 D CA 1.123 55.159 54.000 0.061 0.000 0.829 224 D CB -0.176 40.652 40.800 0.046 0.000 0.961 224 D HN 0.312 nan 8.370 nan 0.000 0.460 225 I N 0.841 121.444 120.570 0.055 0.000 2.179 225 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 225 I C 2.470 178.636 176.117 0.081 0.000 1.088 225 I CA 1.193 62.525 61.300 0.054 0.000 1.357 225 I CB -0.269 37.761 38.000 0.049 0.000 1.051 225 I HN -0.023 nan 8.210 nan 0.000 0.409 226 Q N 0.502 120.370 119.800 0.114 0.000 2.096 226 Q HA -0.248 4.091 4.340 -0.000 0.000 0.204 226 Q C 1.831 177.994 176.000 0.273 0.000 0.982 226 Q CA 1.851 57.769 55.803 0.190 0.000 0.850 226 Q CB -0.173 28.669 28.738 0.174 0.000 0.901 226 Q HN 0.494 nan 8.270 nan 0.000 0.422 227 D N 0.424 120.957 120.400 0.223 0.000 2.117 227 D HA -0.107 4.532 4.640 -0.000 0.000 0.198 227 D C 1.934 178.194 176.300 -0.065 0.000 0.982 227 D CA 0.892 54.965 54.000 0.122 0.000 0.828 227 D CB -0.164 40.658 40.800 0.038 0.000 0.967 227 D HN 0.197 nan 8.370 nan 0.000 0.464 228 L N 0.569 121.763 121.223 -0.048 0.000 2.046 228 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 228 L C 2.364 179.215 176.870 -0.032 0.000 1.077 228 L CA 1.198 55.993 54.840 -0.074 0.000 0.747 228 L CB -0.247 41.788 42.059 -0.041 0.000 0.896 228 L HN -0.041 nan 8.230 nan 0.000 0.432 229 K N -0.635 119.785 120.400 0.033 0.000 2.057 229 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 229 K C 2.076 178.709 176.600 0.055 0.000 1.049 229 K CA 1.512 57.828 56.287 0.049 0.000 0.931 229 K CB -0.280 32.271 32.500 0.085 0.000 0.714 229 K HN 0.104 nan 8.250 nan 0.000 0.440 230 F N 1.425 121.326 119.950 -0.081 0.000 2.134 230 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 230 F C 2.054 177.763 175.800 -0.151 0.000 1.097 230 F CA 1.711 59.622 58.000 -0.148 0.000 1.264 230 F CB -0.637 38.113 39.000 -0.418 0.000 1.001 230 F HN -0.002 nan 8.300 nan 0.000 0.479 231 G N 0.021 108.710 108.800 -0.186 0.000 2.440 231 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 231 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 231 G C 1.745 176.514 174.900 -0.219 0.000 1.154 231 G CA 1.241 46.184 45.100 -0.261 0.000 0.767 231 G HN 0.349 nan 8.290 nan 0.000 0.552 232 V N 0.777 120.602 119.914 -0.148 0.000 2.295 232 V HA -0.132 3.988 4.120 -0.000 0.000 0.246 232 V C 2.818 178.834 176.094 -0.129 0.000 1.049 232 V CA 1.994 64.230 62.300 -0.107 0.000 1.024 232 V CB -0.343 31.445 31.823 -0.059 0.000 0.648 232 V HN 0.288 nan 8.190 nan 0.000 0.447 233 E N -0.086 120.020 120.200 -0.156 0.000 2.110 233 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 233 E C 2.167 178.633 176.600 -0.225 0.000 0.988 233 E CA 0.931 57.235 56.400 -0.159 0.000 0.804 233 E CB -0.267 29.355 29.700 -0.131 0.000 0.745 233 E HN 0.589 nan 8.360 nan 0.000 0.458 234 Q N 0.456 120.039 119.800 -0.362 0.000 2.403 234 Q HA -0.031 4.309 4.340 -0.000 0.000 0.203 234 Q C -0.205 175.681 176.000 -0.189 0.000 0.932 234 Q CA 0.220 55.819 55.803 -0.340 0.000 0.945 234 Q CB 0.134 28.540 28.738 -0.554 0.000 1.045 234 Q HN 0.163 nan 8.270 nan 0.000 0.511 235 D N 0.190 120.500 120.400 -0.150 0.000 2.746 235 D HA -0.144 4.496 4.640 -0.000 0.000 0.236 235 D C -0.182 176.073 176.300 -0.076 0.000 1.129 235 D CA 0.589 54.535 54.000 -0.089 0.000 0.691 235 D CB -1.348 39.417 40.800 -0.059 0.000 1.077 235 D HN 0.179 nan 8.370 nan 0.000 0.432 236 V N -2.662 117.189 119.914 -0.105 0.000 2.999 236 V HA 0.223 4.343 4.120 -0.000 0.000 0.307 236 V C 1.401 177.458 176.094 -0.063 0.000 1.084 236 V CA 0.484 62.729 62.300 -0.092 0.000 1.155 236 V CB 1.201 32.942 31.823 -0.137 0.000 0.975 236 V HN 0.054 nan 8.190 nan 0.000 0.490 237 D N 2.680 123.052 120.400 -0.048 0.000 2.271 237 D HA 0.168 4.808 4.640 -0.000 0.000 0.206 237 D C 0.642 176.932 176.300 -0.017 0.000 0.967 237 D CA 1.484 55.478 54.000 -0.010 0.000 0.867 237 D CB 0.466 41.281 40.800 0.025 0.000 0.960 237 D HN 0.837 nan 8.370 nan 0.000 0.509 238 M N -1.368 118.187 119.600 -0.075 0.000 2.534 238 M HA 0.442 4.922 4.480 -0.000 0.000 0.280 238 M C -1.934 174.257 176.300 -0.182 0.000 1.217 238 M CA -0.875 54.383 55.300 -0.071 0.000 0.893 238 M CB 2.806 35.412 32.600 0.009 0.000 1.730 238 M HN -0.431 nan 8.290 nan 0.000 0.483 239 V N 2.548 122.407 119.914 -0.092 0.000 2.495 239 V HA 0.554 4.674 4.120 -0.000 0.000 0.298 239 V C -1.248 174.911 176.094 0.109 0.000 1.031 239 V CA -0.365 61.871 62.300 -0.106 0.000 0.871 239 V CB 1.791 33.574 31.823 -0.066 0.000 0.988 239 V HN 0.672 nan 8.190 nan 0.000 0.432 240 F N 3.530 123.452 119.950 -0.047 0.000 2.350 240 F HA 0.635 5.162 4.527 -0.000 0.000 0.365 240 F C 0.701 176.470 175.800 -0.052 0.000 1.122 240 F CA -1.571 56.403 58.000 -0.045 0.000 1.139 240 F CB 0.898 39.877 39.000 -0.035 0.000 1.220 240 F HN 0.507 nan 8.300 nan 0.000 0.499 241 A N 2.818 125.713 122.820 0.125 0.000 2.279 241 A HA 0.536 4.855 4.320 -0.000 0.000 0.306 241 A C 0.391 177.983 177.584 0.014 0.000 1.300 241 A CA -0.380 51.688 52.037 0.051 0.000 0.925 241 A CB 0.019 19.038 19.000 0.031 0.000 1.152 241 A HN 0.591 nan 8.150 nan 0.000 0.544 242 S N 1.430 117.136 115.700 0.010 0.000 2.564 242 S HA 0.415 4.885 4.470 -0.000 0.000 0.278 242 S C -0.085 174.528 174.600 0.021 0.000 1.333 242 S CA 0.001 58.142 58.200 -0.099 0.000 1.048 242 S CB -0.340 62.828 63.200 -0.054 0.000 0.900 242 S HN 0.785 nan 8.310 nan 0.000 0.505 243 F N -0.190 119.763 119.950 0.005 0.000 3.074 243 F HA -0.161 4.366 4.527 -0.000 0.000 0.287 243 F C 0.189 175.984 175.800 -0.008 0.000 0.932 243 F CA -0.256 57.741 58.000 -0.005 0.000 0.995 243 F CB -1.686 37.305 39.000 -0.015 0.000 0.966 243 F HN 0.392 nan 8.300 nan 0.000 0.721 244 I N 1.115 121.736 120.570 0.085 0.000 2.587 244 I HA 0.011 4.181 4.170 -0.000 0.000 0.284 244 I C 1.497 177.645 176.117 0.051 0.000 1.134 244 I CA 0.589 61.917 61.300 0.047 0.000 1.410 244 I CB 0.917 38.916 38.000 -0.003 0.000 1.392 244 I HN 0.365 nan 8.210 nan 0.000 0.545 245 R N 5.115 125.639 120.500 0.041 0.000 2.307 245 R HA 0.157 4.497 4.340 -0.000 0.000 0.200 245 R C -0.050 176.253 176.300 0.005 0.000 0.893 245 R CA 0.204 56.327 56.100 0.038 0.000 1.042 245 R CB 0.591 30.915 30.300 0.040 0.000 1.059 245 R HN 0.640 nan 8.270 nan 0.000 0.530 246 K N -2.471 117.913 120.400 -0.028 0.000 2.607 246 K HA 0.473 4.793 4.320 -0.000 0.000 0.287 246 K C -0.131 176.397 176.600 -0.121 0.000 0.996 246 K CA -0.309 55.944 56.287 -0.057 0.000 0.876 246 K CB 1.011 33.489 32.500 -0.036 0.000 1.496 246 K HN -0.167 nan 8.250 nan 0.000 0.415 247 A N 0.997 123.719 122.820 -0.163 0.000 1.940 247 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 247 A C 2.255 179.544 177.584 -0.492 0.000 1.176 247 A CA 2.339 54.175 52.037 -0.335 0.000 0.631 247 A CB -1.147 17.695 19.000 -0.264 0.000 0.814 247 A HN 0.860 nan 8.150 nan 0.000 0.446 248 A N 0.133 122.834 122.820 -0.198 0.000 1.978 248 A HA -0.222 4.097 4.320 -0.000 0.000 0.220 248 A C 1.702 179.249 177.584 -0.060 0.000 1.170 248 A CA 2.000 54.008 52.037 -0.049 0.000 0.636 248 A CB -0.575 18.443 19.000 0.030 0.000 0.810 248 A HN 0.501 nan 8.150 nan 0.000 0.448 249 D N -0.180 120.170 120.400 -0.084 0.000 2.097 249 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 249 D C 2.096 178.361 176.300 -0.058 0.000 0.984 249 D CA 1.521 55.495 54.000 -0.044 0.000 0.826 249 D CB -0.600 40.184 40.800 -0.027 0.000 0.973 249 D HN 0.256 nan 8.370 nan 0.000 0.460 250 V N 0.895 120.725 119.914 -0.140 0.000 2.332 250 V HA -0.265 3.854 4.120 -0.000 0.000 0.248 250 V C 2.044 178.112 176.094 -0.043 0.000 1.055 250 V CA 1.788 64.014 62.300 -0.124 0.000 1.038 250 V CB -0.893 30.808 31.823 -0.203 0.000 0.651 250 V HN 0.338 nan 8.190 nan 0.000 0.450 251 H N -0.138 118.928 119.070 -0.008 0.000 2.387 251 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 251 H C 2.451 177.778 175.328 -0.001 0.000 1.090 251 H CA 1.439 57.484 56.048 -0.006 0.000 1.332 251 H CB 0.100 29.858 29.762 -0.007 0.000 1.386 251 H HN 0.524 nan 8.280 nan 0.000 0.516 252 E N 0.452 120.716 120.200 0.107 0.000 2.051 252 E HA -0.145 4.204 4.350 -0.000 0.000 0.192 252 E C 2.441 179.068 176.600 0.045 0.000 0.991 252 E CA 1.285 57.723 56.400 0.063 0.000 0.799 252 E CB 0.004 29.729 29.700 0.042 0.000 0.748 252 E HN 0.225 nan 8.360 nan 0.000 0.449 253 V N 1.310 121.245 119.914 0.034 0.000 2.287 253 V HA -0.296 3.823 4.120 -0.000 0.000 0.248 253 V C 2.421 178.531 176.094 0.027 0.000 1.053 253 V CA 2.116 64.430 62.300 0.022 0.000 1.027 253 V CB -0.540 31.291 31.823 0.012 0.000 0.646 253 V HN 0.143 nan 8.190 nan 0.000 0.447 254 R N 0.732 121.259 120.500 0.044 0.000 2.083 254 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 254 R C 2.322 178.643 176.300 0.034 0.000 1.137 254 R CA 2.130 58.257 56.100 0.046 0.000 0.951 254 R CB -0.541 29.806 30.300 0.078 0.000 0.851 254 R HN 0.537 nan 8.270 nan 0.000 0.434 255 K N -0.234 120.190 120.400 0.040 0.000 2.057 255 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 255 K C 1.798 178.411 176.600 0.021 0.000 1.049 255 K CA 1.499 57.803 56.287 0.027 0.000 0.931 255 K CB -0.050 32.469 32.500 0.031 0.000 0.714 255 K HN 0.132 nan 8.250 nan 0.000 0.440 256 I N 1.586 122.169 120.570 0.022 0.000 2.202 256 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 256 I C 2.247 178.371 176.117 0.010 0.000 1.091 256 I CA 1.284 62.594 61.300 0.018 0.000 1.368 256 I CB -1.051 36.960 38.000 0.018 0.000 1.058 256 I HN 0.254 nan 8.210 nan 0.000 0.410 257 L N 0.247 121.473 121.223 0.005 0.000 2.083 257 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 257 L C 1.593 178.464 176.870 0.001 0.000 1.083 257 L CA 0.944 55.782 54.840 -0.003 0.000 0.752 257 L CB -1.083 40.973 42.059 -0.006 0.000 0.899 257 L HN 0.491 nan 8.230 nan 0.000 0.433 258 G N 0.255 109.059 108.800 0.007 0.000 2.641 258 G HA2 -0.426 3.533 3.960 -0.000 0.000 0.254 258 G HA3 -0.426 3.533 3.960 -0.000 0.000 0.254 258 G C 0.498 175.402 174.900 0.005 0.000 1.315 258 G CA 0.582 45.686 45.100 0.007 0.000 0.907 258 G HN 0.314 nan 8.290 nan 0.000 0.572 259 E N -0.016 120.186 120.200 0.004 0.000 2.051 259 E HA -0.093 4.256 4.350 -0.000 0.000 0.192 259 E C 2.409 179.010 176.600 0.002 0.000 0.991 259 E CA 2.191 58.594 56.400 0.004 0.000 0.799 259 E CB -0.261 29.441 29.700 0.003 0.000 0.748 259 E HN 0.591 nan 8.360 nan 0.000 0.449 260 K N -0.985 119.415 120.400 -0.001 0.000 2.152 260 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 260 K C 1.436 178.031 176.600 -0.008 0.000 1.048 260 K CA 1.407 57.691 56.287 -0.005 0.000 0.933 260 K CB -0.314 32.181 32.500 -0.008 0.000 0.721 260 K HN 0.237 nan 8.250 nan 0.000 0.447 261 G N 0.944 109.739 108.800 -0.008 0.000 3.523 261 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.270 261 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.270 261 G C 0.732 175.632 174.900 -0.000 0.000 1.134 261 G CA -0.329 44.765 45.100 -0.011 0.000 0.825 261 G HN 0.382 nan 8.290 nan 0.000 0.534 262 K N -0.203 120.201 120.400 0.006 0.000 2.280 262 K HA -0.010 4.310 4.320 -0.000 0.000 0.202 262 K C 1.127 177.740 176.600 0.022 0.000 1.047 262 K CA 0.919 57.214 56.287 0.014 0.000 0.942 262 K CB 0.005 32.513 32.500 0.014 0.000 0.739 262 K HN 0.055 nan 8.250 nan 0.000 0.457 263 N N 0.719 119.431 118.700 0.021 0.000 2.280 263 N HA 0.166 4.906 4.740 -0.000 0.000 0.192 263 N C -0.090 175.440 175.510 0.034 0.000 1.109 263 N CA 0.089 53.159 53.050 0.033 0.000 0.855 263 N CB 0.339 38.847 38.487 0.035 0.000 0.974 263 N HN 0.212 nan 8.380 nan 0.000 0.482 264 I N 1.863 122.444 120.570 0.018 0.000 2.471 264 I HA 0.011 4.181 4.170 -0.000 0.000 0.286 264 I C 0.389 176.521 176.117 0.024 0.000 1.079 264 I CA -0.285 61.021 61.300 0.010 0.000 1.398 264 I CB 0.596 38.587 38.000 -0.017 0.000 1.403 264 I HN -0.362 nan 8.210 nan 0.000 0.530 265 K N 7.363 127.785 120.400 0.036 0.000 2.249 265 K HA 0.445 4.765 4.320 -0.000 0.000 0.280 265 K C -0.428 176.201 176.600 0.048 0.000 1.033 265 K CA -0.242 56.075 56.287 0.050 0.000 0.946 265 K CB 1.065 33.606 32.500 0.069 0.000 1.005 265 K HN 0.485 nan 8.250 nan 0.000 0.469 266 I N 4.565 125.161 120.570 0.043 0.000 2.312 266 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 266 I C -0.060 176.087 176.117 0.050 0.000 1.008 266 I CA -0.639 60.688 61.300 0.045 0.000 1.226 266 I CB 0.789 38.803 38.000 0.024 0.000 1.371 266 I HN 0.185 nan 8.210 nan 0.000 0.468 267 I N 5.435 126.068 120.570 0.105 0.000 2.307 267 I HA 0.218 4.388 4.170 -0.000 0.000 0.289 267 I C 0.377 176.509 176.117 0.025 0.000 1.021 267 I CA -0.170 61.166 61.300 0.060 0.000 1.224 267 I CB 0.941 38.998 38.000 0.096 0.000 1.376 267 I HN 0.442 nan 8.210 nan 0.000 0.470 268 S N 6.530 122.216 115.700 -0.023 0.000 2.528 268 S HA 0.260 4.730 4.470 -0.000 0.000 0.277 268 S C 0.295 174.867 174.600 -0.048 0.000 1.297 268 S CA -0.545 57.637 58.200 -0.031 0.000 1.052 268 S CB 0.597 63.766 63.200 -0.052 0.000 0.917 268 S HN 0.367 nan 8.310 nan 0.000 0.492 269 K N 2.909 123.273 120.400 -0.060 0.000 2.248 269 K HA 0.317 4.637 4.320 -0.000 0.000 0.281 269 K C -0.581 175.972 176.600 -0.079 0.000 1.054 269 K CA -0.397 55.827 56.287 -0.105 0.000 0.903 269 K CB 0.548 32.950 32.500 -0.162 0.000 1.077 269 K HN 0.417 nan 8.250 nan 0.000 0.474 270 I N 4.468 125.009 120.570 -0.049 0.000 2.301 270 I HA 0.047 4.216 4.170 -0.000 0.000 0.292 270 I C 0.726 176.811 176.117 -0.054 0.000 1.046 270 I CA 0.208 61.505 61.300 -0.005 0.000 1.282 270 I CB 0.411 38.447 38.000 0.060 0.000 1.409 270 I HN 0.802 nan 8.210 nan 0.000 0.484 271 E N 4.365 124.540 120.200 -0.040 0.000 2.862 271 E HA 0.171 4.521 4.350 -0.000 0.000 0.204 271 E C -0.627 176.016 176.600 0.072 0.000 0.966 271 E CA -0.506 55.867 56.400 -0.045 0.000 1.257 271 E CB 0.314 29.891 29.700 -0.205 0.000 1.053 271 E HN 0.664 nan 8.360 nan 0.000 0.487 272 N N -0.825 117.931 118.700 0.094 0.000 2.853 272 N HA 0.137 4.877 4.740 -0.000 0.000 0.258 272 N C 0.077 175.660 175.510 0.122 0.000 1.444 272 N CA -0.826 52.295 53.050 0.120 0.000 0.837 272 N CB 0.608 39.198 38.487 0.171 0.000 1.489 272 N HN -0.006 nan 8.380 nan 0.000 0.529 273 H N -0.747 118.338 119.070 0.025 0.000 2.352 273 H HA -0.091 4.465 4.556 -0.000 0.000 0.299 273 H C 1.255 176.594 175.328 0.018 0.000 1.097 273 H CA 1.796 57.850 56.048 0.010 0.000 1.311 273 H CB 0.434 30.199 29.762 0.004 0.000 1.377 273 H HN 0.781 nan 8.280 nan 0.000 0.504 274 E N -0.382 119.913 120.200 0.160 0.000 2.110 274 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 274 E C 2.408 179.062 176.600 0.091 0.000 0.988 274 E CA 0.834 57.279 56.400 0.076 0.000 0.804 274 E CB -0.206 29.519 29.700 0.042 0.000 0.745 274 E HN 0.605 nan 8.360 nan 0.000 0.458 275 G N 0.321 109.185 108.800 0.106 0.000 2.422 275 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 275 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 275 G C 1.611 176.605 174.900 0.157 0.000 1.146 275 G CA 0.924 46.090 45.100 0.109 0.000 0.769 275 G HN 0.218 nan 8.290 nan 0.000 0.547 276 V N 0.466 120.461 119.914 0.136 0.000 2.323 276 V HA -0.111 4.009 4.120 -0.000 0.000 0.244 276 V C 2.870 179.052 176.094 0.146 0.000 1.041 276 V CA 1.768 64.138 62.300 0.115 0.000 1.025 276 V CB -0.469 31.376 31.823 0.036 0.000 0.656 276 V HN 0.284 nan 8.190 nan 0.000 0.451 277 R N 0.138 120.723 120.500 0.142 0.000 2.096 277 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 277 R C 1.894 178.244 176.300 0.084 0.000 1.127 277 R CA 1.156 57.313 56.100 0.094 0.000 0.968 277 R CB -0.190 30.134 30.300 0.039 0.000 0.861 277 R HN 0.457 nan 8.270 nan 0.000 0.440 278 R N -0.181 120.369 120.500 0.083 0.000 2.480 278 R HA 0.051 4.391 4.340 -0.000 0.000 0.277 278 R C 1.004 177.332 176.300 0.046 0.000 1.008 278 R CA -0.266 55.862 56.100 0.046 0.000 1.090 278 R CB 0.026 30.332 30.300 0.011 0.000 1.234 278 R HN 0.149 nan 8.270 nan 0.000 0.549 279 F N 2.260 122.198 119.950 -0.019 0.000 2.095 279 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 279 F C 1.523 177.305 175.800 -0.030 0.000 1.104 279 F CA 1.812 59.795 58.000 -0.028 0.000 1.232 279 F CB 0.132 39.113 39.000 -0.032 0.000 0.987 279 F HN 0.003 nan 8.300 nan 0.000 0.475 280 D N 0.404 120.766 120.400 -0.064 0.000 2.104 280 D HA -0.245 4.395 4.640 -0.000 0.000 0.194 280 D C 2.167 178.331 176.300 -0.226 0.000 0.994 280 D CA 1.898 55.806 54.000 -0.152 0.000 0.830 280 D CB -0.630 40.170 40.800 0.001 0.000 0.959 280 D HN 0.701 nan 8.370 nan 0.000 0.452 281 E N 0.550 120.657 120.200 -0.154 0.000 2.150 281 E HA -0.117 4.233 4.350 -0.000 0.000 0.193 281 E C 2.264 178.743 176.600 -0.201 0.000 0.985 281 E CA 0.612 56.931 56.400 -0.135 0.000 0.814 281 E CB -0.439 29.213 29.700 -0.079 0.000 0.752 281 E HN 0.264 nan 8.360 nan 0.000 0.466 282 I N 0.728 121.135 120.570 -0.271 0.000 2.179 282 I HA -0.230 3.939 4.170 -0.000 0.000 0.242 282 I C 2.510 178.409 176.117 -0.364 0.000 1.088 282 I CA 0.684 61.806 61.300 -0.296 0.000 1.357 282 I CB -0.244 37.598 38.000 -0.264 0.000 1.051 282 I HN 0.163 nan 8.210 nan 0.000 0.409 283 L N 0.886 121.749 121.223 -0.600 0.000 2.012 283 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 283 L C 2.509 179.230 176.870 -0.247 0.000 1.073 283 L CA 1.957 56.494 54.840 -0.504 0.000 0.748 283 L CB -0.869 40.775 42.059 -0.692 0.000 0.891 283 L HN 0.245 nan 8.230 nan 0.000 0.431 284 E N -0.151 119.927 120.200 -0.203 0.000 2.118 284 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 284 E C 1.938 178.503 176.600 -0.058 0.000 0.992 284 E CA 1.450 57.790 56.400 -0.099 0.000 0.804 284 E CB -0.066 29.592 29.700 -0.069 0.000 0.741 284 E HN 0.610 nan 8.360 nan 0.000 0.458 285 A N 0.252 123.024 122.820 -0.080 0.000 2.072 285 A HA 0.065 4.385 4.320 -0.000 0.000 0.216 285 A C 1.406 178.969 177.584 -0.035 0.000 1.156 285 A CA 0.327 52.346 52.037 -0.030 0.000 0.701 285 A CB 0.126 19.028 19.000 -0.163 0.000 0.816 285 A HN 0.138 nan 8.150 nan 0.000 0.458 286 S N 0.047 115.700 115.700 -0.078 0.000 2.687 286 S HA 0.303 4.773 4.470 -0.000 0.000 0.283 286 S C 0.018 174.597 174.600 -0.035 0.000 1.170 286 S CA -0.560 57.604 58.200 -0.060 0.000 1.008 286 S CB 1.102 64.246 63.200 -0.093 0.000 1.026 286 S HN 0.386 nan 8.310 nan 0.000 0.541 287 D N 0.525 120.916 120.400 -0.015 0.000 2.333 287 D HA 0.230 4.870 4.640 -0.000 0.000 0.208 287 D C 0.842 177.115 176.300 -0.044 0.000 0.984 287 D CA 0.553 54.550 54.000 -0.006 0.000 0.873 287 D CB 0.354 41.167 40.800 0.021 0.000 0.935 287 D HN 0.634 nan 8.370 nan 0.000 0.521 288 G N -0.203 108.563 108.800 -0.057 0.000 2.430 288 G HA2 0.453 4.413 3.960 -0.000 0.000 0.300 288 G HA3 0.453 4.413 3.960 -0.000 0.000 0.300 288 G C -1.832 173.026 174.900 -0.070 0.000 1.330 288 G CA -0.597 44.451 45.100 -0.087 0.000 0.813 288 G HN -0.078 nan 8.290 nan 0.000 0.487 289 I N 0.496 121.023 120.570 -0.072 0.000 2.769 289 I HA 0.532 4.702 4.170 -0.000 0.000 0.298 289 I C -0.431 175.615 176.117 -0.117 0.000 1.128 289 I CA -0.671 60.604 61.300 -0.041 0.000 1.031 289 I CB 2.036 40.095 38.000 0.099 0.000 1.235 289 I HN 0.637 nan 8.210 nan 0.000 0.423 290 M N 5.235 124.747 119.600 -0.147 0.000 2.311 290 M HA 0.466 4.945 4.480 -0.000 0.000 0.325 290 M C -1.335 174.886 176.300 -0.131 0.000 1.061 290 M CA -0.738 54.438 55.300 -0.207 0.000 0.957 290 M CB 1.820 34.216 32.600 -0.340 0.000 1.646 290 M HN 0.279 nan 8.290 nan 0.000 0.434 291 V N 5.037 124.877 119.914 -0.124 0.000 2.338 291 V HA 0.267 4.386 4.120 -0.000 0.000 0.255 291 V C 0.544 176.571 176.094 -0.112 0.000 1.082 291 V CA -0.408 61.828 62.300 -0.107 0.000 0.951 291 V CB 0.050 31.810 31.823 -0.105 0.000 1.102 291 V HN 0.869 nan 8.190 nan 0.000 0.489 292 A N 5.823 128.573 122.820 -0.117 0.000 2.922 292 A HA 0.328 4.648 4.320 -0.000 0.000 0.298 292 A C 1.421 178.947 177.584 -0.095 0.000 1.588 292 A CA -0.362 51.600 52.037 -0.125 0.000 1.288 292 A CB -0.352 18.540 19.000 -0.180 0.000 1.130 292 A HN 0.838 nan 8.150 nan 0.000 0.557 293 R N 1.377 121.834 120.500 -0.072 0.000 2.189 293 R HA -0.089 4.251 4.340 -0.000 0.000 0.223 293 R C 2.187 178.464 176.300 -0.038 0.000 1.092 293 R CA 1.094 57.162 56.100 -0.053 0.000 0.989 293 R CB 0.031 30.307 30.300 -0.039 0.000 0.876 293 R HN 0.704 nan 8.270 nan 0.000 0.457 294 G N 1.528 110.309 108.800 -0.032 0.000 2.524 294 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.215 294 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.215 294 G C 0.980 175.879 174.900 -0.002 0.000 1.239 294 G CA 0.862 45.957 45.100 -0.008 0.000 0.798 294 G HN 0.187 nan 8.290 nan 0.000 0.557 295 D N 0.084 120.484 120.400 -0.001 0.000 2.144 295 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 295 D C 2.485 178.797 176.300 0.020 0.000 0.984 295 D CA 0.632 54.662 54.000 0.050 0.000 0.834 295 D CB -0.108 40.755 40.800 0.105 0.000 0.955 295 D HN 0.149 nan 8.370 nan 0.000 0.465 296 L N 1.119 122.328 121.223 -0.023 0.000 2.042 296 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 296 L C 2.172 179.007 176.870 -0.058 0.000 1.076 296 L CA 1.921 56.736 54.840 -0.041 0.000 0.749 296 L CB -0.846 41.174 42.059 -0.064 0.000 0.893 296 L HN 0.012 nan 8.230 nan 0.000 0.432 297 G N -1.619 107.149 108.800 -0.054 0.000 2.848 297 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.208 297 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.208 297 G C 1.355 176.199 174.900 -0.094 0.000 1.152 297 G CA 0.620 45.681 45.100 -0.065 0.000 0.789 297 G HN 0.499 nan 8.290 nan 0.000 0.531 298 I N -0.689 119.822 120.570 -0.098 0.000 3.039 298 I HA 0.111 4.281 4.170 -0.000 0.000 0.270 298 I C 2.211 178.212 176.117 -0.193 0.000 1.150 298 I CA 0.171 61.362 61.300 -0.182 0.000 1.448 298 I CB 0.114 38.044 38.000 -0.117 0.000 1.197 298 I HN -0.056 nan 8.210 nan 0.000 0.450 299 E N 1.849 122.000 120.200 -0.081 0.000 2.150 299 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 299 E C 0.819 177.378 176.600 -0.069 0.000 0.985 299 E CA 0.881 57.258 56.400 -0.037 0.000 0.814 299 E CB 0.123 29.842 29.700 0.032 0.000 0.752 299 E HN 0.551 nan 8.360 nan 0.000 0.466 300 I N -2.369 118.130 120.570 -0.119 0.000 2.846 300 I HA 0.471 4.641 4.170 -0.000 0.000 0.307 300 I C -2.705 173.331 176.117 -0.136 0.000 1.053 300 I CA -3.069 58.131 61.300 -0.166 0.000 1.050 300 I CB 2.079 39.913 38.000 -0.276 0.000 1.239 300 I HN -0.365 nan 8.210 nan 0.000 0.439 301 P HA 0.024 nan 4.420 nan 0.000 0.262 301 P C 0.425 177.686 177.300 -0.065 0.000 1.182 301 P CA 0.253 63.305 63.100 -0.079 0.000 0.761 301 P CB 0.972 32.641 31.700 -0.051 0.000 0.795 302 A N 4.981 127.770 122.820 -0.050 0.000 1.940 302 A HA -0.220 4.099 4.320 -0.000 0.000 0.219 302 A C 1.802 179.398 177.584 0.020 0.000 1.176 302 A CA 1.622 53.644 52.037 -0.025 0.000 0.631 302 A CB -0.888 18.099 19.000 -0.021 0.000 0.814 302 A HN 0.665 nan 8.150 nan 0.000 0.446 303 E N 0.475 120.696 120.200 0.035 0.000 2.409 303 E HA -0.161 4.188 4.350 -0.000 0.000 0.198 303 E C 1.157 177.866 176.600 0.181 0.000 1.024 303 E CA 1.268 57.731 56.400 0.105 0.000 0.861 303 E CB -0.261 29.486 29.700 0.078 0.000 0.788 303 E HN 0.673 nan 8.360 nan 0.000 0.521 304 K N 0.528 120.948 120.400 0.033 0.000 2.367 304 K HA 0.137 4.456 4.320 -0.000 0.000 0.194 304 K C 1.943 178.429 176.600 -0.190 0.000 1.027 304 K CA 0.218 56.438 56.287 -0.111 0.000 1.075 304 K CB 0.559 32.965 32.500 -0.156 0.000 0.845 304 K HN -0.083 nan 8.250 nan 0.000 0.529 305 V N 1.969 121.852 119.914 -0.053 0.000 2.332 305 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 305 V C 2.087 178.136 176.094 -0.075 0.000 1.055 305 V CA 2.028 64.288 62.300 -0.066 0.000 1.038 305 V CB -0.708 31.105 31.823 -0.015 0.000 0.651 305 V HN 0.369 nan 8.190 nan 0.000 0.450 306 F N 0.208 120.112 119.950 -0.076 0.000 2.216 306 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 306 F C 1.904 177.652 175.800 -0.085 0.000 1.085 306 F CA 1.408 59.364 58.000 -0.075 0.000 1.326 306 F CB -1.144 37.819 39.000 -0.061 0.000 1.027 306 F HN 0.091 nan 8.300 nan 0.000 0.497 307 L N 0.922 121.480 121.223 -1.109 0.000 2.027 307 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 307 L C 3.031 179.656 176.870 -0.408 0.000 1.074 307 L CA 1.298 55.657 54.840 -0.801 0.000 0.745 307 L CB -1.296 40.304 42.059 -0.765 0.000 0.898 307 L HN 0.326 nan 8.230 nan 0.000 0.433 308 A N -0.502 122.113 122.820 -0.341 0.000 1.902 308 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 308 A C 2.285 179.720 177.584 -0.249 0.000 1.181 308 A CA 1.884 53.758 52.037 -0.271 0.000 0.623 308 A CB -0.632 18.233 19.000 -0.225 0.000 0.818 308 A HN 0.508 nan 8.150 nan 0.000 0.443 309 Q N -0.169 119.519 119.800 -0.187 0.000 2.030 309 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 309 Q C 1.986 177.902 176.000 -0.140 0.000 0.986 309 Q CA 2.142 57.864 55.803 -0.136 0.000 0.843 309 Q CB -0.152 28.549 28.738 -0.060 0.000 0.904 309 Q HN 0.674 nan 8.270 nan 0.000 0.420 310 K N -0.170 120.156 120.400 -0.124 0.000 2.097 310 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 310 K C 2.195 178.708 176.600 -0.145 0.000 1.050 310 K CA 1.199 57.427 56.287 -0.099 0.000 0.938 310 K CB -0.191 32.277 32.500 -0.052 0.000 0.718 310 K HN 0.319 nan 8.250 nan 0.000 0.442 311 M N 1.292 120.771 119.600 -0.202 0.000 2.086 311 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 311 M C 1.927 178.037 176.300 -0.318 0.000 1.067 311 M CA 1.771 56.930 55.300 -0.234 0.000 1.116 311 M CB -0.315 32.128 32.600 -0.262 0.000 1.348 311 M HN 0.120 nan 8.290 nan 0.000 0.407 312 I N 0.151 120.462 120.570 -0.432 0.000 2.202 312 I HA -0.330 3.840 4.170 -0.000 0.000 0.242 312 I C 2.377 178.344 176.117 -0.250 0.000 1.091 312 I CA 1.148 62.092 61.300 -0.593 0.000 1.368 312 I CB -0.368 37.286 38.000 -0.577 0.000 1.058 312 I HN 0.264 nan 8.210 nan 0.000 0.410 313 I N 0.613 121.083 120.570 -0.166 0.000 2.226 313 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 313 I C 2.672 178.751 176.117 -0.062 0.000 1.100 313 I CA 1.622 62.870 61.300 -0.087 0.000 1.374 313 I CB -0.935 37.023 38.000 -0.070 0.000 1.057 313 I HN 0.279 nan 8.210 nan 0.000 0.413 314 G N 0.751 109.505 108.800 -0.077 0.000 2.446 314 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.217 314 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.217 314 G C 1.826 176.710 174.900 -0.026 0.000 1.168 314 G CA 0.490 45.559 45.100 -0.051 0.000 0.771 314 G HN 0.296 nan 8.290 nan 0.000 0.551 315 R N -0.646 119.841 120.500 -0.021 0.000 2.092 315 R HA -0.015 4.325 4.340 -0.000 0.000 0.231 315 R C 2.689 179.052 176.300 0.105 0.000 1.119 315 R CA 1.112 57.254 56.100 0.069 0.000 0.970 315 R CB -0.616 29.791 30.300 0.177 0.000 0.864 315 R HN 0.389 nan 8.270 nan 0.000 0.440 316 C N 0.714 120.076 119.300 0.104 0.000 2.429 316 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 316 C C 2.207 177.204 174.990 0.011 0.000 1.262 316 C CA 0.718 59.780 59.018 0.073 0.000 1.733 316 C CB -1.224 26.550 27.740 0.057 0.000 2.010 316 C HN 0.572 nan 8.230 nan 0.000 0.483 317 N N 0.166 118.861 118.700 -0.008 0.000 2.104 317 N HA -0.199 4.540 4.740 -0.000 0.000 0.190 317 N C 2.023 177.501 175.510 -0.052 0.000 1.024 317 N CA 0.999 54.030 53.050 -0.030 0.000 0.853 317 N CB -0.254 38.217 38.487 -0.027 0.000 1.008 317 N HN 0.506 nan 8.380 nan 0.000 0.424 318 R N 0.885 121.367 120.500 -0.031 0.000 2.096 318 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 318 R C 1.899 178.177 176.300 -0.036 0.000 1.127 318 R CA 1.351 57.430 56.100 -0.035 0.000 0.968 318 R CB -0.053 30.243 30.300 -0.007 0.000 0.861 318 R HN 0.166 nan 8.270 nan 0.000 0.440 319 A N -0.632 122.180 122.820 -0.012 0.000 2.123 319 A HA 0.198 4.518 4.320 -0.000 0.000 0.214 319 A C 1.374 178.952 177.584 -0.011 0.000 1.152 319 A CA 0.747 52.780 52.037 -0.006 0.000 0.728 319 A CB -0.116 18.888 19.000 0.007 0.000 0.814 319 A HN 0.537 nan 8.150 nan 0.000 0.464 320 G N -0.560 108.224 108.800 -0.027 0.000 2.160 320 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.251 320 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.251 320 G C 0.048 174.986 174.900 0.063 0.000 1.008 320 G CA 0.633 45.733 45.100 0.001 0.000 0.724 320 G HN 0.565 nan 8.290 nan 0.000 0.514 321 K N 0.487 120.892 120.400 0.008 0.000 2.182 321 K HA 0.462 4.782 4.320 -0.000 0.000 0.262 321 K C -2.485 174.033 176.600 -0.137 0.000 0.957 321 K CA -2.178 54.086 56.287 -0.039 0.000 0.842 321 K CB 1.773 34.254 32.500 -0.032 0.000 1.099 321 K HN -0.057 nan 8.250 nan 0.000 0.438 322 P HA -0.067 nan 4.420 nan 0.000 0.265 322 P C -1.082 176.102 177.300 -0.192 0.000 1.187 322 P CA -0.139 62.737 63.100 -0.372 0.000 0.766 322 P CB 0.609 31.980 31.700 -0.549 0.000 0.820 323 V N 5.276 125.100 119.914 -0.150 0.000 2.638 323 V HA 0.501 4.621 4.120 -0.000 0.000 0.306 323 V C -0.884 175.138 176.094 -0.120 0.000 1.052 323 V CA -0.818 61.417 62.300 -0.109 0.000 0.885 323 V CB 1.427 33.213 31.823 -0.061 0.000 0.999 323 V HN 0.284 nan 8.190 nan 0.000 0.424 324 I N 6.229 126.710 120.570 -0.149 0.000 2.404 324 I HA 0.434 4.604 4.170 -0.000 0.000 0.293 324 I C -0.123 175.914 176.117 -0.133 0.000 0.992 324 I CA -0.382 60.823 61.300 -0.159 0.000 1.149 324 I CB 1.588 39.425 38.000 -0.272 0.000 1.315 324 I HN 0.619 nan 8.210 nan 0.000 0.446 325 C N 6.429 125.673 119.300 -0.094 0.000 2.347 325 C HA 0.851 5.311 4.460 -0.000 0.000 0.353 325 C C 0.429 175.376 174.990 -0.072 0.000 1.273 325 C CA -0.103 58.870 59.018 -0.076 0.000 1.861 325 C CB -0.443 27.267 27.740 -0.049 0.000 2.420 325 C HN 0.871 nan 8.230 nan 0.000 0.542 326 A N 4.494 127.270 122.820 -0.074 0.000 2.454 326 A HA 0.915 5.235 4.320 -0.000 0.000 0.302 326 A C -0.209 177.353 177.584 -0.036 0.000 1.079 326 A CA -0.165 51.836 52.037 -0.060 0.000 0.731 326 A CB 1.101 20.047 19.000 -0.090 0.000 1.299 326 A HN 1.358 nan 8.150 nan 0.000 0.413 327 T N 1.409 115.954 114.554 -0.014 0.000 0.580 327 T HA -0.078 4.272 4.350 -0.000 0.000 0.770 327 T C 0.051 174.753 174.700 0.005 0.000 0.991 327 T CA 0.567 62.667 62.100 -0.001 0.000 4.056 327 T CB -1.281 67.582 68.868 -0.009 0.000 2.292 327 T HN 1.487 nan 8.240 nan 0.000 0.396 328 Q N 0.214 120.024 119.800 0.016 0.000 2.481 328 Q HA -0.268 4.071 4.340 -0.000 0.000 0.258 328 Q C 1.581 177.589 176.000 0.013 0.000 0.961 328 Q CA 1.492 57.306 55.803 0.018 0.000 1.121 328 Q CB -1.106 27.641 28.738 0.015 0.000 1.503 328 Q HN 0.843 nan 8.270 nan 0.000 0.544 329 M N -0.514 119.093 119.600 0.012 0.000 2.117 329 M HA -0.130 4.350 4.480 -0.000 0.000 0.262 329 M C 1.234 177.541 176.300 0.012 0.000 1.065 329 M CA 1.576 56.882 55.300 0.009 0.000 1.114 329 M CB 0.071 32.676 32.600 0.008 0.000 1.361 329 M HN 0.254 nan 8.290 nan 0.000 0.408 330 L N -0.667 120.568 121.223 0.019 0.000 3.186 330 L HA 0.170 4.509 4.340 -0.000 0.000 0.292 330 L C 1.166 178.052 176.870 0.027 0.000 1.303 330 L CA -0.376 54.477 54.840 0.021 0.000 0.940 330 L CB 0.273 42.347 42.059 0.026 0.000 1.358 330 L HN 0.055 nan 8.230 nan 0.000 0.581 331 E N 1.338 121.554 120.200 0.026 0.000 2.097 331 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 331 E C 2.178 178.800 176.600 0.036 0.000 1.000 331 E CA 2.078 58.497 56.400 0.032 0.000 0.804 331 E CB 0.185 29.902 29.700 0.028 0.000 0.740 331 E HN 0.507 nan 8.360 nan 0.000 0.454 332 S N -0.474 115.242 115.700 0.027 0.000 2.442 332 S HA -0.165 4.305 4.470 -0.000 0.000 0.236 332 S C 1.871 176.495 174.600 0.040 0.000 1.007 332 S CA 1.199 59.416 58.200 0.027 0.000 0.965 332 S CB -0.376 62.831 63.200 0.011 0.000 0.773 332 S HN 0.317 nan 8.310 nan 0.000 0.504 333 M N 0.594 120.220 119.600 0.043 0.000 2.686 333 M HA 0.180 4.660 4.480 -0.000 0.000 0.246 333 M C 1.512 177.903 176.300 0.151 0.000 1.096 333 M CA 0.601 55.942 55.300 0.069 0.000 1.076 333 M CB -0.589 32.040 32.600 0.048 0.000 1.504 333 M HN 0.352 nan 8.290 nan 0.000 0.524 334 I N 0.206 120.844 120.570 0.113 0.000 2.361 334 I HA -0.293 3.877 4.170 -0.000 0.000 0.251 334 I C 2.293 178.500 176.117 0.150 0.000 1.133 334 I CA 1.292 62.658 61.300 0.111 0.000 1.413 334 I CB -0.189 37.851 38.000 0.068 0.000 1.073 334 I HN 0.254 nan 8.210 nan 0.000 0.424 335 K N 0.006 120.504 120.400 0.162 0.000 2.435 335 K HA 0.256 4.575 4.320 -0.000 0.000 0.199 335 K C 0.147 176.907 176.600 0.267 0.000 1.153 335 K CA 0.246 56.642 56.287 0.181 0.000 0.974 335 K CB 0.919 33.476 32.500 0.096 0.000 0.997 335 K HN 0.212 nan 8.250 nan 0.000 0.547 336 K N 1.308 121.798 120.400 0.151 0.000 2.318 336 K HA 0.247 4.567 4.320 -0.000 0.000 0.249 336 K C -2.231 174.096 176.600 -0.455 0.000 0.942 336 K CA -1.844 54.402 56.287 -0.067 0.000 0.808 336 K CB 2.217 34.684 32.500 -0.054 0.000 1.189 336 K HN -0.277 nan 8.250 nan 0.000 0.428 337 P HA -0.036 nan 4.420 nan 0.000 0.241 337 P C -0.445 176.618 177.300 -0.394 0.000 1.191 337 P CA 0.636 63.135 63.100 -1.002 0.000 0.771 337 P CB 0.542 31.751 31.700 -0.818 0.000 0.929 338 R N 0.468 120.821 120.500 -0.245 0.000 2.686 338 R HA 0.478 4.817 4.340 -0.000 0.000 0.283 338 R C -2.540 173.710 176.300 -0.084 0.000 0.978 338 R CA -2.173 53.850 56.100 -0.128 0.000 0.897 338 R CB 1.947 32.188 30.300 -0.098 0.000 1.192 338 R HN -0.006 nan 8.270 nan 0.000 0.457 339 P HA 0.066 nan 4.420 nan 0.000 0.276 339 P C -0.320 176.965 177.300 -0.026 0.000 1.261 339 P CA -0.387 62.695 63.100 -0.029 0.000 0.800 339 P CB 0.700 32.391 31.700 -0.016 0.000 1.066 340 T N -1.191 113.353 114.554 -0.017 0.000 2.788 340 T HA 0.202 4.552 4.350 -0.000 0.000 0.287 340 T C 1.465 176.155 174.700 -0.017 0.000 1.007 340 T CA -0.590 61.500 62.100 -0.016 0.000 1.005 340 T CB 0.435 69.296 68.868 -0.011 0.000 1.012 340 T HN 0.176 nan 8.240 nan 0.000 0.530 341 R N 0.732 121.221 120.500 -0.018 0.000 2.115 341 R HA 0.057 4.397 4.340 -0.000 0.000 0.230 341 R C 2.663 178.951 176.300 -0.020 0.000 1.111 341 R CA 1.426 57.515 56.100 -0.019 0.000 0.976 341 R CB -1.828 28.459 30.300 -0.020 0.000 0.870 341 R HN 0.849 nan 8.270 nan 0.000 0.445 342 A N 1.370 124.178 122.820 -0.020 0.000 1.902 342 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 342 A C 2.047 179.621 177.584 -0.017 0.000 1.181 342 A CA 1.441 53.466 52.037 -0.021 0.000 0.623 342 A CB -0.303 18.684 19.000 -0.020 0.000 0.818 342 A HN 0.361 nan 8.150 nan 0.000 0.443 343 E N -0.647 119.546 120.200 -0.012 0.000 2.072 343 E HA -0.080 4.269 4.350 -0.000 0.000 0.191 343 E C 2.170 178.765 176.600 -0.008 0.000 0.985 343 E CA 0.774 57.170 56.400 -0.007 0.000 0.801 343 E CB -0.408 29.291 29.700 -0.003 0.000 0.750 343 E HN 0.592 nan 8.360 nan 0.000 0.452 344 G N 0.656 109.450 108.800 -0.011 0.000 2.440 344 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.218 344 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.218 344 G C 1.653 176.546 174.900 -0.012 0.000 1.154 344 G CA 1.077 46.170 45.100 -0.011 0.000 0.767 344 G HN 0.296 nan 8.290 nan 0.000 0.552 345 S N 0.328 116.018 115.700 -0.017 0.000 2.368 345 S HA -0.175 4.294 4.470 -0.000 0.000 0.225 345 S C 2.087 176.677 174.600 -0.017 0.000 1.030 345 S CA 2.018 60.206 58.200 -0.020 0.000 0.999 345 S CB -0.456 62.727 63.200 -0.028 0.000 0.844 345 S HN 0.427 nan 8.310 nan 0.000 0.459 346 D N 0.210 120.601 120.400 -0.015 0.000 2.097 346 D HA -0.087 4.553 4.640 -0.000 0.000 0.195 346 D C 1.900 178.197 176.300 -0.006 0.000 0.989 346 D CA 1.510 55.504 54.000 -0.012 0.000 0.827 346 D CB -0.303 40.491 40.800 -0.009 0.000 0.966 346 D HN 0.307 nan 8.370 nan 0.000 0.456 347 V N 0.773 120.685 119.914 -0.004 0.000 2.295 347 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 347 V C 2.608 178.702 176.094 -0.000 0.000 1.049 347 V CA 1.790 64.090 62.300 -0.000 0.000 1.024 347 V CB -1.044 30.781 31.823 0.004 0.000 0.648 347 V HN 0.343 nan 8.190 nan 0.000 0.447 348 A N 0.392 123.210 122.820 -0.003 0.000 1.883 348 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 348 A C 2.093 179.678 177.584 0.002 0.000 1.186 348 A CA 2.199 54.236 52.037 -0.001 0.000 0.624 348 A CB -0.724 18.273 19.000 -0.005 0.000 0.822 348 A HN 0.599 nan 8.150 nan 0.000 0.444 349 N N 0.067 118.766 118.700 -0.002 0.000 2.244 349 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 349 N C 1.889 177.401 175.510 0.003 0.000 1.016 349 N CA 1.244 54.295 53.050 0.001 0.000 0.866 349 N CB -0.377 38.106 38.487 -0.007 0.000 0.980 349 N HN 0.492 nan 8.380 nan 0.000 0.430 350 A N 0.798 123.618 122.820 -0.000 0.000 1.902 350 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 350 A C 2.504 180.087 177.584 -0.001 0.000 1.181 350 A CA 1.145 53.179 52.037 -0.004 0.000 0.623 350 A CB -0.647 18.348 19.000 -0.008 0.000 0.818 350 A HN 0.092 nan 8.150 nan 0.000 0.443 351 V N 0.090 120.007 119.914 0.005 0.000 2.307 351 V HA -0.233 3.886 4.120 -0.000 0.000 0.245 351 V C 2.544 178.646 176.094 0.015 0.000 1.045 351 V CA 1.850 64.158 62.300 0.013 0.000 1.024 351 V CB -0.768 31.065 31.823 0.017 0.000 0.651 351 V HN 0.564 nan 8.190 nan 0.000 0.449 352 L N -0.176 121.057 121.223 0.016 0.000 2.083 352 L HA -0.194 4.145 4.340 -0.000 0.000 0.209 352 L C 2.352 179.232 176.870 0.016 0.000 1.083 352 L CA 1.464 56.317 54.840 0.021 0.000 0.752 352 L CB -0.742 41.336 42.059 0.031 0.000 0.899 352 L HN 0.343 nan 8.230 nan 0.000 0.433 353 D N 0.028 120.433 120.400 0.008 0.000 2.144 353 D HA -0.100 4.540 4.640 -0.000 0.000 0.199 353 D C 1.637 177.934 176.300 -0.005 0.000 0.984 353 D CA 1.625 55.624 54.000 -0.001 0.000 0.834 353 D CB 0.013 40.807 40.800 -0.009 0.000 0.955 353 D HN 0.445 nan 8.370 nan 0.000 0.465 354 G N -0.735 108.064 108.800 -0.002 0.000 2.155 354 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.130 354 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.130 354 G C 0.287 175.184 174.900 -0.005 0.000 1.027 354 G CA 0.065 45.166 45.100 0.002 0.000 0.705 354 G HN 0.524 nan 8.290 nan 0.000 0.496 355 A N 0.481 123.295 122.820 -0.011 0.000 2.548 355 A HA 0.457 4.777 4.320 -0.000 0.000 0.247 355 A C 1.290 178.868 177.584 -0.010 0.000 1.067 355 A CA 0.999 53.022 52.037 -0.023 0.000 0.757 355 A CB 0.220 19.203 19.000 -0.027 0.000 0.996 355 A HN 0.306 nan 8.150 nan 0.000 0.504 356 D N 0.903 121.287 120.400 -0.028 0.000 2.117 356 D HA -0.046 4.594 4.640 -0.000 0.000 0.198 356 D C 0.208 176.510 176.300 0.004 0.000 0.982 356 D CA 1.328 55.320 54.000 -0.012 0.000 0.828 356 D CB 0.114 40.872 40.800 -0.070 0.000 0.967 356 D HN 0.559 nan 8.370 nan 0.000 0.464 357 C N 0.459 119.745 119.300 -0.022 0.000 2.802 357 C HA 0.626 5.086 4.460 -0.000 0.000 0.307 357 C C -0.068 174.909 174.990 -0.022 0.000 1.222 357 C CA -1.021 57.992 59.018 -0.008 0.000 1.580 357 C CB 1.931 29.661 27.740 -0.016 0.000 2.119 357 C HN 0.172 nan 8.230 nan 0.000 0.479 358 I N 0.131 120.698 120.570 -0.004 0.000 2.846 358 I HA 0.807 4.977 4.170 -0.000 0.000 0.307 358 I C -0.832 175.287 176.117 0.002 0.000 1.053 358 I CA -0.831 60.464 61.300 -0.007 0.000 1.050 358 I CB 1.788 39.792 38.000 0.006 0.000 1.239 358 I HN 0.676 nan 8.210 nan 0.000 0.439 359 M N 4.201 123.800 119.600 -0.001 0.000 2.591 359 M HA 0.652 5.132 4.480 -0.000 0.000 0.306 359 M C -2.023 174.294 176.300 0.029 0.000 1.190 359 M CA -0.704 54.606 55.300 0.016 0.000 0.889 359 M CB 2.703 35.302 32.600 -0.003 0.000 1.728 359 M HN 0.628 nan 8.290 nan 0.000 0.458 360 L N 1.612 122.864 121.223 0.048 0.000 2.386 360 L HA 0.562 4.902 4.340 -0.000 0.000 0.271 360 L C -0.314 176.596 176.870 0.067 0.000 0.993 360 L CA -0.298 54.573 54.840 0.053 0.000 0.819 360 L CB 2.241 44.333 42.059 0.054 0.000 1.294 360 L HN 0.784 nan 8.230 nan 0.000 0.414 361 S N 0.834 116.572 115.700 0.065 0.000 3.290 361 S HA 0.183 4.653 4.470 -0.000 0.000 0.176 361 S C 1.544 176.188 174.600 0.074 0.000 0.815 361 S CA 0.394 58.640 58.200 0.077 0.000 1.075 361 S CB -0.167 63.076 63.200 0.072 0.000 0.879 361 S HN 0.868 nan 8.310 nan 0.000 0.795 362 G N 1.265 110.104 108.800 0.066 0.000 2.462 362 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.220 362 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.220 362 G C 1.003 175.937 174.900 0.057 0.000 1.121 362 G CA 1.154 46.289 45.100 0.057 0.000 0.758 362 G HN 0.531 nan 8.290 nan 0.000 0.559 363 E N 0.154 120.390 120.200 0.061 0.000 2.130 363 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 363 E C 2.749 179.390 176.600 0.068 0.000 0.998 363 E CA 1.891 58.331 56.400 0.068 0.000 0.806 363 E CB -0.272 29.467 29.700 0.065 0.000 0.738 363 E HN 0.621 nan 8.360 nan 0.000 0.459 364 T N -2.934 111.658 114.554 0.064 0.000 3.023 364 T HA 0.368 4.717 4.350 -0.000 0.000 0.249 364 T C 1.975 176.711 174.700 0.059 0.000 1.050 364 T CA 0.255 62.392 62.100 0.061 0.000 1.088 364 T CB 0.095 69.000 68.868 0.061 0.000 0.946 364 T HN 0.140 nan 8.240 nan 0.000 0.480 365 A N 2.411 125.271 122.820 0.066 0.000 1.897 365 A HA 0.098 4.417 4.320 -0.000 0.000 0.215 365 A C 2.190 179.805 177.584 0.051 0.000 1.181 365 A CA 0.936 53.015 52.037 0.071 0.000 0.620 365 A CB -0.092 18.959 19.000 0.086 0.000 0.821 365 A HN 0.416 nan 8.150 nan 0.000 0.443 366 K N -1.357 119.065 120.400 0.037 0.000 2.529 366 K HA 0.174 4.494 4.320 -0.000 0.000 0.215 366 K C 0.975 177.580 176.600 0.008 0.000 1.286 366 K CA 0.542 56.840 56.287 0.018 0.000 0.997 366 K CB -0.173 32.332 32.500 0.008 0.000 1.063 366 K HN 0.299 nan 8.250 nan 0.000 0.590 367 G N 1.615 110.427 108.800 0.020 0.000 2.667 367 G HA2 0.033 3.992 3.960 -0.000 0.000 0.250 367 G HA3 0.033 3.992 3.960 -0.000 0.000 0.250 367 G C 0.051 174.929 174.900 -0.037 0.000 1.212 367 G CA -0.213 44.899 45.100 0.019 0.000 0.874 367 G HN -0.072 nan 8.290 nan 0.000 0.561 368 D N -1.066 119.279 120.400 -0.090 0.000 2.347 368 D HA 0.026 4.666 4.640 -0.000 0.000 0.213 368 D C -0.087 175.845 176.300 -0.613 0.000 0.985 368 D CA 1.011 54.795 54.000 -0.360 0.000 0.879 368 D CB 0.230 40.739 40.800 -0.485 0.000 0.919 368 D HN 0.388 nan 8.370 nan 0.000 0.526 369 Y N -0.512 119.798 120.300 0.017 0.000 2.555 369 Y HA 0.212 4.761 4.550 -0.000 0.000 0.317 369 Y C -1.694 174.219 175.900 0.020 0.000 0.928 369 Y CA -1.633 56.478 58.100 0.017 0.000 1.116 369 Y CB 1.199 39.668 38.460 0.016 0.000 1.169 369 Y HN -0.093 nan 8.280 nan 0.000 0.627 370 P HA -0.163 nan 4.420 nan 0.000 0.216 370 P C 1.444 178.794 177.300 0.083 0.000 1.153 370 P CA 1.455 64.603 63.100 0.081 0.000 0.848 370 P CB 0.639 32.368 31.700 0.048 0.000 0.787 371 L N -0.519 120.754 121.223 0.082 0.000 2.056 371 L HA -0.148 4.191 4.340 -0.000 0.000 0.207 371 L C 2.600 179.516 176.870 0.077 0.000 1.078 371 L CA 1.599 56.480 54.840 0.068 0.000 0.749 371 L CB -1.146 40.949 42.059 0.061 0.000 0.901 371 L HN -0.070 nan 8.230 nan 0.000 0.433 372 E N 0.546 120.812 120.200 0.110 0.000 2.118 372 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 372 E C 2.264 178.905 176.600 0.067 0.000 0.992 372 E CA 1.418 57.869 56.400 0.085 0.000 0.804 372 E CB -0.315 29.437 29.700 0.087 0.000 0.741 372 E HN 0.460 nan 8.360 nan 0.000 0.458 373 A N 0.382 123.252 122.820 0.083 0.000 1.902 373 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 373 A C 2.469 180.089 177.584 0.060 0.000 1.181 373 A CA 1.419 53.496 52.037 0.067 0.000 0.623 373 A CB -0.705 18.341 19.000 0.076 0.000 0.818 373 A HN 0.151 nan 8.150 nan 0.000 0.443 374 V N 0.034 119.984 119.914 0.059 0.000 2.295 374 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 374 V C 2.615 178.751 176.094 0.071 0.000 1.049 374 V CA 2.291 64.623 62.300 0.054 0.000 1.024 374 V CB -0.870 30.973 31.823 0.033 0.000 0.648 374 V HN 0.526 nan 8.190 nan 0.000 0.447 375 R N -0.816 119.722 120.500 0.063 0.000 2.096 375 R HA -0.170 4.169 4.340 -0.000 0.000 0.235 375 R C 2.220 178.589 176.300 0.114 0.000 1.127 375 R CA 1.770 57.920 56.100 0.084 0.000 0.968 375 R CB -0.415 29.919 30.300 0.058 0.000 0.861 375 R HN 0.397 nan 8.270 nan 0.000 0.440 376 M N 0.943 120.588 119.600 0.075 0.000 2.156 376 M HA -0.124 4.356 4.480 -0.000 0.000 0.264 376 M C 1.880 178.216 176.300 0.059 0.000 1.067 376 M CA 1.713 57.046 55.300 0.055 0.000 1.131 376 M CB -0.096 32.522 32.600 0.030 0.000 1.368 376 M HN 0.025 nan 8.290 nan 0.000 0.416 377 Q N -1.081 118.760 119.800 0.068 0.000 2.096 377 Q HA -0.261 4.078 4.340 -0.000 0.000 0.204 377 Q C 2.236 178.286 176.000 0.083 0.000 0.982 377 Q CA 1.880 57.721 55.803 0.064 0.000 0.850 377 Q CB -0.677 28.098 28.738 0.062 0.000 0.901 377 Q HN 0.705 nan 8.270 nan 0.000 0.422 378 H N 0.862 119.946 119.070 0.024 0.000 2.290 378 H HA -0.139 4.417 4.556 -0.000 0.000 0.298 378 H C 2.087 177.432 175.328 0.028 0.000 1.087 378 H CA 1.477 57.543 56.048 0.030 0.000 1.291 378 H CB -0.044 29.737 29.762 0.032 0.000 1.369 378 H HN 0.195 nan 8.280 nan 0.000 0.492 379 L N 0.272 121.488 121.223 -0.011 0.000 2.017 379 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 379 L C 2.900 179.726 176.870 -0.073 0.000 1.073 379 L CA 1.171 55.972 54.840 -0.066 0.000 0.745 379 L CB -0.347 41.724 42.059 0.018 0.000 0.894 379 L HN 0.279 nan 8.230 nan 0.000 0.432 380 I N -0.249 120.302 120.570 -0.032 0.000 2.252 380 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 380 I C 2.825 178.922 176.117 -0.034 0.000 1.102 380 I CA 1.019 62.304 61.300 -0.025 0.000 1.385 380 I CB -0.513 37.483 38.000 -0.007 0.000 1.064 380 I HN 0.179 nan 8.210 nan 0.000 0.414 381 A N 1.159 123.955 122.820 -0.040 0.000 1.908 381 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 381 A C 2.424 179.978 177.584 -0.050 0.000 1.181 381 A CA 1.594 53.612 52.037 -0.031 0.000 0.627 381 A CB -0.595 18.397 19.000 -0.014 0.000 0.818 381 A HN 0.324 nan 8.150 nan 0.000 0.445 382 R N -0.543 119.886 120.500 -0.117 0.000 2.081 382 R HA -0.105 4.235 4.340 -0.000 0.000 0.235 382 R C 2.066 178.339 176.300 -0.044 0.000 1.131 382 R CA 1.311 57.350 56.100 -0.101 0.000 0.960 382 R CB -0.330 29.869 30.300 -0.169 0.000 0.856 382 R HN 0.554 nan 8.270 nan 0.000 0.436 383 E N 0.745 120.918 120.200 -0.044 0.000 2.051 383 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 383 E C 2.024 178.625 176.600 0.001 0.000 0.991 383 E CA 1.401 57.789 56.400 -0.020 0.000 0.799 383 E CB -0.178 29.508 29.700 -0.024 0.000 0.748 383 E HN 0.335 nan 8.360 nan 0.000 0.449 384 A N 1.333 124.154 122.820 0.003 0.000 1.930 384 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 384 A C 2.018 179.629 177.584 0.045 0.000 1.175 384 A CA 1.338 53.387 52.037 0.020 0.000 0.627 384 A CB -0.403 18.605 19.000 0.013 0.000 0.815 384 A HN 0.190 nan 8.150 nan 0.000 0.443 385 E N -0.089 120.141 120.200 0.049 0.000 2.085 385 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 385 E C 2.257 178.961 176.600 0.174 0.000 0.994 385 E CA 1.144 57.602 56.400 0.097 0.000 0.801 385 E CB -0.289 29.459 29.700 0.080 0.000 0.743 385 E HN 0.627 nan 8.360 nan 0.000 0.453 386 A N 1.124 124.020 122.820 0.127 0.000 1.930 386 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 386 A C 2.275 179.966 177.584 0.179 0.000 1.175 386 A CA 1.451 53.581 52.037 0.154 0.000 0.627 386 A CB -0.407 18.633 19.000 0.068 0.000 0.815 386 A HN 0.277 nan 8.150 nan 0.000 0.443 387 A N -0.978 121.912 122.820 0.117 0.000 2.235 387 A HA 0.347 4.667 4.320 -0.000 0.000 0.208 387 A C 1.113 178.831 177.584 0.223 0.000 1.172 387 A CA 0.015 52.123 52.037 0.119 0.000 0.786 387 A CB -0.547 18.483 19.000 0.049 0.000 0.804 387 A HN 0.564 nan 8.150 nan 0.000 0.479 388 M N -1.096 118.568 119.600 0.106 0.000 2.240 388 M HA 0.105 4.584 4.480 -0.000 0.000 0.317 388 M C 0.042 176.314 176.300 -0.046 0.000 1.087 388 M CA 0.525 55.791 55.300 -0.056 0.000 1.176 388 M CB 0.196 32.565 32.600 -0.384 0.000 1.439 388 M HN 0.388 nan 8.290 nan 0.000 0.452 389 F N 2.934 122.657 119.950 -0.379 0.000 2.467 389 F HA 0.165 4.692 4.527 -0.000 0.000 0.349 389 F C 1.193 176.803 175.800 -0.317 0.000 1.182 389 F CA -0.668 56.987 58.000 -0.575 0.000 1.279 389 F CB -0.037 38.515 39.000 -0.748 0.000 1.626 389 F HN 0.662 nan 8.300 nan 0.000 0.596 390 H N 2.193 121.295 119.070 0.054 0.000 2.352 390 H HA -0.204 4.352 4.556 -0.000 0.000 0.299 390 H C 2.311 177.500 175.328 -0.231 0.000 1.097 390 H CA 1.526 57.534 56.048 -0.067 0.000 1.311 390 H CB 0.000 29.664 29.762 -0.164 0.000 1.377 390 H HN 0.566 nan 8.280 nan 0.000 0.504 391 R N 1.160 121.512 120.500 -0.247 0.000 2.083 391 R HA -0.164 4.176 4.340 -0.000 0.000 0.237 391 R C 2.308 178.416 176.300 -0.321 0.000 1.137 391 R CA 1.721 57.627 56.100 -0.323 0.000 0.951 391 R CB 0.036 30.159 30.300 -0.296 0.000 0.851 391 R HN 0.029 nan 8.270 nan 0.000 0.434 392 K N 0.540 120.500 120.400 -0.733 0.000 2.057 392 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 392 K C 1.954 178.419 176.600 -0.226 0.000 1.050 392 K CA 1.007 56.891 56.287 -0.672 0.000 0.935 392 K CB -0.527 31.181 32.500 -1.319 0.000 0.715 392 K HN 0.137 nan 8.250 nan 0.000 0.439 393 L N 0.136 121.280 121.223 -0.130 0.000 2.012 393 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 393 L C 2.029 178.981 176.870 0.136 0.000 1.073 393 L CA 1.748 56.608 54.840 0.035 0.000 0.748 393 L CB -0.876 41.212 42.059 0.048 0.000 0.891 393 L HN 0.276 nan 8.230 nan 0.000 0.431 394 F N 0.661 120.660 119.950 0.082 0.000 2.126 394 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 394 F C 2.320 178.196 175.800 0.128 0.000 1.096 394 F CA 2.062 60.181 58.000 0.198 0.000 1.255 394 F CB -0.239 38.965 39.000 0.339 0.000 0.997 394 F HN 0.250 nan 8.300 nan 0.000 0.479 395 E N -0.044 120.237 120.200 0.134 0.000 2.085 395 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 395 E C 2.092 178.663 176.600 -0.050 0.000 0.994 395 E CA 1.782 58.186 56.400 0.007 0.000 0.801 395 E CB -0.261 29.441 29.700 0.002 0.000 0.743 395 E HN 0.607 nan 8.360 nan 0.000 0.453 396 E N 0.414 120.601 120.200 -0.021 0.000 2.107 396 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 396 E C 2.225 178.814 176.600 -0.018 0.000 0.982 396 E CA 0.501 56.895 56.400 -0.009 0.000 0.809 396 E CB 0.017 29.729 29.700 0.020 0.000 0.756 396 E HN 0.233 nan 8.360 nan 0.000 0.459 397 L N 0.774 121.984 121.223 -0.021 0.000 2.056 397 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 397 L C 2.620 179.504 176.870 0.023 0.000 1.078 397 L CA 1.001 55.831 54.840 -0.017 0.000 0.749 397 L CB -0.460 41.585 42.059 -0.023 0.000 0.901 397 L HN 0.127 nan 8.230 nan 0.000 0.433 398 A N 0.131 122.906 122.820 -0.076 0.000 1.902 398 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 398 A C 2.448 179.999 177.584 -0.055 0.000 1.181 398 A CA 1.904 53.866 52.037 -0.125 0.000 0.623 398 A CB -0.617 18.164 19.000 -0.365 0.000 0.818 398 A HN 0.365 nan 8.150 nan 0.000 0.443 399 R N -0.345 120.126 120.500 -0.049 0.000 2.081 399 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 399 R C 2.253 178.548 176.300 -0.010 0.000 1.131 399 R CA 1.501 57.586 56.100 -0.025 0.000 0.960 399 R CB -0.433 29.856 30.300 -0.018 0.000 0.856 399 R HN 0.421 nan 8.270 nan 0.000 0.436 400 A N 0.358 123.175 122.820 -0.005 0.000 1.972 400 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 400 A C 1.972 179.561 177.584 0.009 0.000 1.169 400 A CA 1.782 53.819 52.037 -0.000 0.000 0.635 400 A CB -0.346 18.651 19.000 -0.006 0.000 0.810 400 A HN 0.579 nan 8.150 nan 0.000 0.446 401 S N -0.347 115.369 115.700 0.026 0.000 2.577 401 S HA 0.047 4.517 4.470 -0.000 0.000 0.219 401 S C 1.541 176.158 174.600 0.030 0.000 0.962 401 S CA 0.724 58.951 58.200 0.045 0.000 0.921 401 S CB -0.426 62.844 63.200 0.117 0.000 0.789 401 S HN 0.760 nan 8.310 nan 0.000 0.497 402 S N 2.295 118.000 115.700 0.009 0.000 2.442 402 S HA -0.217 4.253 4.470 -0.000 0.000 0.236 402 S C 2.042 176.639 174.600 -0.004 0.000 1.007 402 S CA 0.896 59.093 58.200 -0.005 0.000 0.965 402 S CB -0.635 62.557 63.200 -0.013 0.000 0.773 402 S HN 0.744 nan 8.310 nan 0.000 0.504 403 Q N 1.904 121.705 119.800 0.000 0.000 2.224 403 Q HA 0.063 4.403 4.340 -0.000 0.000 0.203 403 Q C 0.914 176.913 176.000 -0.002 0.000 0.970 403 Q CA 1.172 56.974 55.803 -0.001 0.000 0.865 403 Q CB -0.828 27.910 28.738 0.000 0.000 0.922 403 Q HN 0.510 nan 8.270 nan 0.000 0.445 404 S N 1.220 116.922 115.700 0.003 0.000 2.523 404 S HA 0.239 4.709 4.470 -0.000 0.000 0.275 404 S C 0.397 174.991 174.600 -0.009 0.000 1.281 404 S CA 0.023 58.223 58.200 0.001 0.000 1.050 404 S CB 0.881 64.090 63.200 0.016 0.000 0.937 404 S HN 0.456 nan 8.310 nan 0.000 0.492 405 T N 1.060 115.603 114.554 -0.019 0.000 3.215 405 T HA 0.227 4.577 4.350 -0.000 0.000 0.271 405 T C -0.005 174.668 174.700 -0.045 0.000 1.012 405 T CA -0.561 61.522 62.100 -0.029 0.000 0.899 405 T CB -0.467 68.385 68.868 -0.025 0.000 1.089 405 T HN 0.644 nan 8.240 nan 0.000 0.552 406 D N 1.108 121.478 120.400 -0.050 0.000 2.525 406 D HA 0.061 4.701 4.640 -0.000 0.000 0.235 406 D C 1.316 177.538 176.300 -0.130 0.000 1.137 406 D CA -0.089 53.856 54.000 -0.090 0.000 0.868 406 D CB 0.540 41.298 40.800 -0.070 0.000 1.180 406 D HN 0.154 nan 8.370 nan 0.000 0.465 407 L N 3.170 124.256 121.223 -0.228 0.000 2.056 407 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 407 L C 2.224 178.931 176.870 -0.273 0.000 1.078 407 L CA 0.726 55.414 54.840 -0.252 0.000 0.749 407 L CB -0.466 41.392 42.059 -0.335 0.000 0.901 407 L HN 0.626 nan 8.230 nan 0.000 0.433 408 M N 0.352 119.672 119.600 -0.467 0.000 2.132 408 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 408 M C 2.024 178.318 176.300 -0.011 0.000 1.065 408 M CA 1.740 56.931 55.300 -0.183 0.000 1.122 408 M CB -0.348 32.152 32.600 -0.167 0.000 1.365 408 M HN 0.101 nan 8.290 nan 0.000 0.411 409 E N -0.301 119.888 120.200 -0.019 0.000 2.085 409 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 409 E C 1.966 178.532 176.600 -0.058 0.000 0.994 409 E CA 1.324 57.750 56.400 0.044 0.000 0.801 409 E CB -0.336 29.408 29.700 0.073 0.000 0.743 409 E HN 0.671 nan 8.360 nan 0.000 0.453 410 A N 1.118 123.906 122.820 -0.054 0.000 1.902 410 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 410 A C 2.139 179.716 177.584 -0.011 0.000 1.181 410 A CA 1.297 53.304 52.037 -0.050 0.000 0.623 410 A CB -0.289 18.696 19.000 -0.026 0.000 0.818 410 A HN 0.121 nan 8.150 nan 0.000 0.443 411 M N -0.375 119.255 119.600 0.050 0.000 2.159 411 M HA -0.092 4.388 4.480 -0.000 0.000 0.263 411 M C 2.489 178.822 176.300 0.055 0.000 1.063 411 M CA 1.549 56.900 55.300 0.085 0.000 1.110 411 M CB -1.548 31.165 32.600 0.189 0.000 1.374 411 M HN 0.493 nan 8.290 nan 0.000 0.411 412 A N -0.008 122.846 122.820 0.057 0.000 1.873 412 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 412 A C 2.262 179.857 177.584 0.019 0.000 1.186 412 A CA 1.507 53.592 52.037 0.080 0.000 0.616 412 A CB -0.541 18.570 19.000 0.184 0.000 0.823 412 A HN 0.453 nan 8.150 nan 0.000 0.442 413 M N -0.574 118.951 119.600 -0.125 0.000 2.117 413 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 413 M C 2.310 178.635 176.300 0.041 0.000 1.065 413 M CA 1.416 56.657 55.300 -0.099 0.000 1.114 413 M CB -0.559 31.847 32.600 -0.323 0.000 1.361 413 M HN 0.515 nan 8.290 nan 0.000 0.408 414 G N -0.615 108.182 108.800 -0.006 0.000 2.418 414 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 414 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 414 G C 1.591 176.462 174.900 -0.048 0.000 1.158 414 G CA 1.191 46.284 45.100 -0.012 0.000 0.771 414 G HN 0.434 nan 8.290 nan 0.000 0.545 415 S N -0.106 115.570 115.700 -0.039 0.000 2.368 415 S HA -0.070 4.400 4.470 -0.000 0.000 0.224 415 S C 2.498 177.011 174.600 -0.146 0.000 1.029 415 S CA 1.021 59.185 58.200 -0.061 0.000 0.988 415 S CB -0.182 63.009 63.200 -0.016 0.000 0.838 415 S HN 0.177 nan 8.310 nan 0.000 0.462 416 V N 1.807 121.613 119.914 -0.179 0.000 2.358 416 V HA -0.156 3.964 4.120 -0.000 0.000 0.246 416 V C 2.570 178.198 176.094 -0.776 0.000 1.047 416 V CA 1.992 64.032 62.300 -0.433 0.000 1.035 416 V CB -0.664 31.005 31.823 -0.258 0.000 0.658 416 V HN 0.395 nan 8.190 nan 0.000 0.452 417 E N 1.007 120.864 120.200 -0.571 0.000 2.058 417 E HA -0.221 4.128 4.350 -0.000 0.000 0.194 417 E C 2.142 178.602 176.600 -0.234 0.000 0.997 417 E CA 1.916 58.052 56.400 -0.440 0.000 0.801 417 E CB -0.590 28.988 29.700 -0.203 0.000 0.746 417 E HN 0.493 nan 8.360 nan 0.000 0.450 418 A N 0.289 123.006 122.820 -0.172 0.000 1.908 418 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 418 A C 2.435 179.953 177.584 -0.110 0.000 1.181 418 A CA 2.641 54.615 52.037 -0.104 0.000 0.627 418 A CB -1.176 17.778 19.000 -0.076 0.000 0.818 418 A HN 0.464 nan 8.150 nan 0.000 0.445 419 S N -1.350 114.238 115.700 -0.186 0.000 2.382 419 S HA -0.199 4.270 4.470 -0.000 0.000 0.228 419 S C 1.905 176.460 174.600 -0.074 0.000 1.027 419 S CA 1.534 59.641 58.200 -0.156 0.000 0.991 419 S CB -0.763 62.311 63.200 -0.211 0.000 0.823 419 S HN 0.516 nan 8.310 nan 0.000 0.469 420 Y N 2.211 122.430 120.300 -0.134 0.000 2.163 420 Y HA 0.123 4.673 4.550 -0.000 0.000 0.288 420 Y C 2.662 178.508 175.900 -0.089 0.000 1.136 420 Y CA 1.042 59.062 58.100 -0.133 0.000 1.147 420 Y CB -0.986 37.362 38.460 -0.187 0.000 0.987 420 Y HN 0.292 nan 8.280 nan 0.000 0.509 421 K N 0.819 121.268 120.400 0.082 0.000 2.057 421 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 421 K C 1.877 178.491 176.600 0.023 0.000 1.050 421 K CA 1.766 58.075 56.287 0.038 0.000 0.935 421 K CB -0.738 31.769 32.500 0.012 0.000 0.715 421 K HN 0.447 nan 8.250 nan 0.000 0.439 422 C N -0.032 119.273 119.300 0.009 0.000 2.754 422 C HA 0.475 4.934 4.460 -0.000 0.000 0.276 422 C C 0.585 175.580 174.990 0.008 0.000 1.264 422 C CA -0.813 58.207 59.018 0.002 0.000 1.700 422 C CB -1.485 26.247 27.740 -0.013 0.000 1.885 422 C HN 0.468 nan 8.230 nan 0.000 0.607 423 L N 0.429 121.666 121.223 0.023 0.000 3.739 423 L HA -0.232 4.108 4.340 -0.000 0.000 0.442 423 L C 1.090 177.968 176.870 0.014 0.000 1.241 423 L CA 0.333 55.190 54.840 0.029 0.000 0.819 423 L CB -2.265 39.816 42.059 0.038 0.000 1.679 423 L HN 0.700 nan 8.230 nan 0.000 0.889 424 A N 0.066 122.883 122.820 -0.005 0.000 2.531 424 A HA 0.454 4.774 4.320 -0.000 0.000 0.236 424 A C 1.434 179.021 177.584 0.005 0.000 1.062 424 A CA 0.720 52.744 52.037 -0.020 0.000 0.760 424 A CB 0.635 19.608 19.000 -0.044 0.000 0.995 424 A HN 0.702 nan 8.150 nan 0.000 0.501 425 A N 1.525 124.357 122.820 0.019 0.000 2.119 425 A HA 0.503 4.823 4.320 -0.000 0.000 0.216 425 A C 1.072 178.752 177.584 0.161 0.000 1.152 425 A CA 1.599 53.706 52.037 0.116 0.000 0.708 425 A CB -0.395 18.739 19.000 0.225 0.000 0.805 425 A HN 2.399 nan 8.150 nan 0.000 0.460 426 A N -1.761 121.112 122.820 0.089 0.000 2.586 426 A HA 0.605 4.925 4.320 -0.000 0.000 0.291 426 A C -1.852 175.755 177.584 0.039 0.000 1.062 426 A CA -0.614 51.489 52.037 0.111 0.000 0.666 426 A CB 0.308 19.508 19.000 0.332 0.000 1.281 426 A HN 0.290 nan 8.150 nan 0.000 0.421 427 L N 1.136 122.388 121.223 0.049 0.000 2.305 427 L HA 0.587 4.927 4.340 -0.000 0.000 0.284 427 L C -0.526 176.387 176.870 0.073 0.000 1.013 427 L CA 0.031 54.892 54.840 0.034 0.000 0.819 427 L CB 1.460 43.531 42.059 0.020 0.000 1.227 427 L HN 0.577 nan 8.230 nan 0.000 0.417 428 I N 3.837 124.443 120.570 0.060 0.000 2.331 428 I HA 0.425 4.595 4.170 -0.000 0.000 0.292 428 I C -0.624 175.527 176.117 0.056 0.000 0.998 428 I CA -0.624 60.723 61.300 0.079 0.000 1.267 428 I CB 1.433 39.473 38.000 0.067 0.000 1.386 428 I HN 0.222 nan 8.210 nan 0.000 0.476 429 V N 7.465 127.417 119.914 0.062 0.000 2.483 429 V HA 0.326 4.445 4.120 -0.000 0.000 0.297 429 V C -0.372 175.744 176.094 0.036 0.000 1.027 429 V CA -0.668 61.660 62.300 0.046 0.000 0.855 429 V CB 1.783 33.632 31.823 0.043 0.000 0.995 429 V HN 0.356 nan 8.190 nan 0.000 0.424 430 L N 4.245 125.484 121.223 0.028 0.000 2.265 430 L HA 0.717 5.057 4.340 -0.000 0.000 0.288 430 L C 0.340 177.230 176.870 0.034 0.000 1.058 430 L CA 0.777 55.629 54.840 0.021 0.000 0.809 430 L CB 1.290 43.346 42.059 -0.005 0.000 1.179 430 L HN 0.825 nan 8.230 nan 0.000 0.429 431 T N 1.733 116.301 114.554 0.023 0.000 3.041 431 T HA 0.365 4.715 4.350 -0.000 0.000 0.321 431 T C 0.401 175.110 174.700 0.015 0.000 1.184 431 T CA -0.440 61.667 62.100 0.011 0.000 1.050 431 T CB 1.129 69.969 68.868 -0.046 0.000 1.159 431 T HN 0.595 nan 8.240 nan 0.000 0.469 432 E N 1.667 121.884 120.200 0.029 0.000 2.132 432 E HA 0.042 4.392 4.350 -0.000 0.000 0.193 432 E C 2.156 178.768 176.600 0.019 0.000 0.951 432 E CA 1.246 57.668 56.400 0.037 0.000 0.843 432 E CB -0.080 29.656 29.700 0.060 0.000 0.807 432 E HN 0.709 nan 8.360 nan 0.000 0.467 433 S N -0.953 114.746 115.700 -0.001 0.000 2.501 433 S HA 0.166 4.635 4.470 -0.000 0.000 0.220 433 S C 1.673 176.225 174.600 -0.081 0.000 0.997 433 S CA 1.003 59.198 58.200 -0.008 0.000 0.919 433 S CB 0.449 63.651 63.200 0.004 0.000 0.778 433 S HN 0.300 nan 8.310 nan 0.000 0.523 434 G N 1.894 110.579 108.800 -0.191 0.000 2.241 434 G HA2 -0.317 3.642 3.960 -0.000 0.000 0.244 434 G HA3 -0.317 3.642 3.960 -0.000 0.000 0.244 434 G C 1.079 175.405 174.900 -0.957 0.000 0.998 434 G CA 0.283 45.075 45.100 -0.514 0.000 0.621 434 G HN 0.485 nan 8.290 nan 0.000 0.519 435 R N 0.841 121.033 120.500 -0.515 0.000 2.103 435 R HA -0.048 4.292 4.340 -0.000 0.000 0.242 435 R C 2.766 178.938 176.300 -0.214 0.000 1.142 435 R CA 1.916 57.820 56.100 -0.326 0.000 0.960 435 R CB -0.455 29.806 30.300 -0.065 0.000 0.858 435 R HN 0.444 nan 8.270 nan 0.000 0.439 436 S N 0.538 116.164 115.700 -0.123 0.000 2.383 436 S HA -0.110 4.360 4.470 -0.000 0.000 0.227 436 S C 2.049 176.628 174.600 -0.035 0.000 1.026 436 S CA 1.172 59.369 58.200 -0.006 0.000 0.981 436 S CB -0.099 63.139 63.200 0.064 0.000 0.818 436 S HN 0.486 nan 8.310 nan 0.000 0.472 437 A N 1.337 124.078 122.820 -0.132 0.000 1.930 437 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 437 A C 1.663 179.217 177.584 -0.050 0.000 1.175 437 A CA 1.328 53.319 52.037 -0.077 0.000 0.627 437 A CB -0.906 18.041 19.000 -0.089 0.000 0.815 437 A HN 0.678 nan 8.150 nan 0.000 0.443 438 H N -0.972 117.959 119.070 -0.230 0.000 2.387 438 H HA -0.123 4.433 4.556 -0.000 0.000 0.299 438 H C 2.171 177.448 175.328 -0.085 0.000 1.099 438 H CA 1.098 56.909 56.048 -0.395 0.000 1.315 438 H CB 0.127 29.541 29.762 -0.579 0.000 1.380 438 H HN 0.398 nan 8.280 nan 0.000 0.513 439 Q N 0.509 120.371 119.800 0.105 0.000 2.172 439 Q HA -0.071 4.268 4.340 -0.000 0.000 0.200 439 Q C 2.684 178.821 176.000 0.228 0.000 0.964 439 Q CA 0.618 56.517 55.803 0.160 0.000 0.855 439 Q CB -0.224 28.605 28.738 0.152 0.000 0.918 439 Q HN 0.359 nan 8.270 nan 0.000 0.444 440 V N 1.316 121.333 119.914 0.172 0.000 2.295 440 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 440 V C 2.408 178.619 176.094 0.196 0.000 1.049 440 V CA 1.808 64.219 62.300 0.185 0.000 1.024 440 V CB -1.167 30.725 31.823 0.115 0.000 0.648 440 V HN 0.310 nan 8.190 nan 0.000 0.447 441 A N 0.177 123.095 122.820 0.163 0.000 1.908 441 A HA -0.298 4.022 4.320 -0.000 0.000 0.218 441 A C 2.417 180.096 177.584 0.159 0.000 1.181 441 A CA 2.208 54.354 52.037 0.180 0.000 0.627 441 A CB -0.668 18.469 19.000 0.228 0.000 0.818 441 A HN 0.514 nan 8.150 nan 0.000 0.445 442 R N -1.851 118.711 120.500 0.103 0.000 2.127 442 R HA -0.186 4.153 4.340 -0.000 0.000 0.238 442 R C 1.029 177.194 176.300 -0.225 0.000 1.134 442 R CA 1.861 57.908 56.100 -0.088 0.000 0.975 442 R CB -0.323 29.849 30.300 -0.212 0.000 0.865 442 R HN 0.583 nan 8.270 nan 0.000 0.447 443 Y N 0.569 120.965 120.300 0.161 0.000 2.461 443 Y HA 0.252 4.802 4.550 -0.000 0.000 0.277 443 Y C 0.052 176.147 175.900 0.325 0.000 1.182 443 Y CA -0.162 58.075 58.100 0.229 0.000 1.276 443 Y CB 0.467 39.086 38.460 0.265 0.000 1.087 443 Y HN -0.049 nan 8.280 nan 0.000 0.519 444 R N -0.464 120.226 120.500 0.318 0.000 3.152 444 R HA -0.139 4.201 4.340 -0.000 0.000 0.252 444 R C -2.995 173.552 176.300 0.411 0.000 0.930 444 R CA 0.176 56.475 56.100 0.332 0.000 0.642 444 R CB -2.172 28.316 30.300 0.314 0.000 1.205 444 R HN 0.278 nan 8.270 nan 0.000 0.452 445 P HA 0.018 nan 4.420 nan 0.000 0.272 445 P C 0.684 178.080 177.300 0.161 0.000 1.230 445 P CA -0.234 62.912 63.100 0.077 0.000 0.788 445 P CB 0.408 32.072 31.700 -0.059 0.000 0.949 446 R N 0.958 121.466 120.500 0.012 0.000 2.161 446 R HA 0.240 4.580 4.340 -0.000 0.000 0.213 446 R C 0.902 177.178 176.300 -0.039 0.000 1.055 446 R CA 0.197 56.208 56.100 -0.148 0.000 0.996 446 R CB -0.624 29.370 30.300 -0.510 0.000 0.901 446 R HN 0.405 nan 8.270 nan 0.000 0.456 447 A N 3.236 126.035 122.820 -0.034 0.000 2.371 447 A HA 0.378 4.697 4.320 -0.000 0.000 0.257 447 A C -2.166 175.393 177.584 -0.041 0.000 1.089 447 A CA -1.848 50.165 52.037 -0.040 0.000 0.794 447 A CB 0.044 19.031 19.000 -0.022 0.000 1.029 447 A HN 0.204 nan 8.150 nan 0.000 0.488 448 P HA 0.206 nan 4.420 nan 0.000 0.272 448 P C -0.848 176.454 177.300 0.004 0.000 1.223 448 P CA 0.287 63.316 63.100 -0.118 0.000 0.784 448 P CB 0.502 31.943 31.700 -0.431 0.000 0.923 449 I N 3.268 123.884 120.570 0.077 0.000 2.330 449 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 449 I C 0.567 176.796 176.117 0.186 0.000 1.025 449 I CA -0.597 60.773 61.300 0.118 0.000 1.197 449 I CB 0.433 38.504 38.000 0.118 0.000 1.358 449 I HN 0.107 nan 8.210 nan 0.000 0.467 450 I N 6.264 126.955 120.570 0.202 0.000 2.308 450 I HA 0.322 4.492 4.170 -0.000 0.000 0.293 450 I C 0.588 176.818 176.117 0.188 0.000 1.078 450 I CA -0.100 61.365 61.300 0.276 0.000 1.292 450 I CB 0.837 39.021 38.000 0.306 0.000 1.423 450 I HN 0.589 nan 8.210 nan 0.000 0.493 451 A N 7.289 130.207 122.820 0.163 0.000 2.253 451 A HA 0.595 4.915 4.320 -0.000 0.000 0.316 451 A C -0.313 177.313 177.584 0.069 0.000 1.327 451 A CA -0.451 51.638 52.037 0.087 0.000 0.917 451 A CB 0.523 19.552 19.000 0.049 0.000 1.162 451 A HN 0.464 nan 8.150 nan 0.000 0.535 452 V N 2.736 122.685 119.914 0.058 0.000 2.406 452 V HA 0.616 4.736 4.120 -0.000 0.000 0.272 452 V C 0.582 176.688 176.094 0.022 0.000 1.043 452 V CA 0.023 62.348 62.300 0.042 0.000 0.915 452 V CB 1.143 32.989 31.823 0.038 0.000 0.988 452 V HN 0.926 nan 8.190 nan 0.000 0.466 453 T N 4.430 118.993 114.554 0.015 0.000 2.916 453 T HA 0.419 4.769 4.350 -0.000 0.000 0.305 453 T C 0.562 175.277 174.700 0.025 0.000 1.119 453 T CA -0.644 61.468 62.100 0.020 0.000 1.008 453 T CB 1.640 70.518 68.868 0.017 0.000 1.129 453 T HN 0.650 nan 8.240 nan 0.000 0.480 454 R N 1.783 122.316 120.500 0.054 0.000 2.300 454 R HA 0.194 4.534 4.340 -0.000 0.000 0.199 454 R C 0.483 176.891 176.300 0.180 0.000 0.920 454 R CA -0.148 56.008 56.100 0.093 0.000 1.046 454 R CB 0.192 30.542 30.300 0.084 0.000 0.984 454 R HN 0.371 nan 8.270 nan 0.000 0.493 455 N N 1.099 119.882 118.700 0.138 0.000 2.437 455 N HA 0.006 4.746 4.740 -0.000 0.000 0.243 455 N C 0.466 176.097 175.510 0.203 0.000 1.041 455 N CA 0.178 53.326 53.050 0.164 0.000 0.940 455 N CB 0.524 39.067 38.487 0.094 0.000 1.133 455 N HN 0.267 nan 8.380 nan 0.000 0.506 456 H N 1.720 120.811 119.070 0.035 0.000 2.387 456 H HA -0.144 4.412 4.556 -0.000 0.000 0.299 456 H C 1.300 176.657 175.328 0.049 0.000 1.090 456 H CA 1.066 57.143 56.048 0.049 0.000 1.332 456 H CB 0.586 30.377 29.762 0.048 0.000 1.386 456 H HN 0.660 nan 8.280 nan 0.000 0.516 457 Q N 0.713 120.616 119.800 0.173 0.000 2.119 457 Q HA -0.119 4.221 4.340 -0.000 0.000 0.201 457 Q C 1.986 178.043 176.000 0.096 0.000 0.972 457 Q CA 1.553 57.422 55.803 0.111 0.000 0.847 457 Q CB 0.194 28.981 28.738 0.081 0.000 0.903 457 Q HN 0.291 nan 8.270 nan 0.000 0.433 458 T N 0.768 115.377 114.554 0.092 0.000 2.699 458 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 458 T C 1.744 176.476 174.700 0.053 0.000 1.036 458 T CA 1.429 63.578 62.100 0.081 0.000 1.147 458 T CB -0.427 68.475 68.868 0.057 0.000 0.862 458 T HN 0.492 nan 8.240 nan 0.000 0.446 459 A N 1.681 124.516 122.820 0.025 0.000 1.877 459 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 459 A C 2.393 179.909 177.584 -0.113 0.000 1.186 459 A CA 1.527 53.535 52.037 -0.049 0.000 0.620 459 A CB -0.498 18.475 19.000 -0.045 0.000 0.822 459 A HN 0.439 nan 8.150 nan 0.000 0.443 460 R N -0.683 119.812 120.500 -0.009 0.000 2.075 460 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 460 R C 2.359 178.698 176.300 0.063 0.000 1.126 460 R CA 1.599 57.722 56.100 0.039 0.000 0.963 460 R CB -0.320 30.041 30.300 0.101 0.000 0.858 460 R HN 0.671 nan 8.270 nan 0.000 0.435 461 Q N -0.036 119.814 119.800 0.083 0.000 2.297 461 Q HA 0.012 4.352 4.340 -0.000 0.000 0.204 461 Q C 1.978 178.090 176.000 0.187 0.000 0.962 461 Q CA 0.899 56.786 55.803 0.139 0.000 0.879 461 Q CB 0.097 28.928 28.738 0.154 0.000 0.947 461 Q HN 0.337 nan 8.270 nan 0.000 0.462 462 A N 0.287 123.172 122.820 0.109 0.000 2.070 462 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 462 A C 1.214 178.907 177.584 0.182 0.000 1.159 462 A CA 1.220 53.356 52.037 0.165 0.000 0.656 462 A CB -0.651 18.356 19.000 0.012 0.000 0.800 462 A HN 0.436 nan 8.150 nan 0.000 0.453 463 H N -0.750 118.419 119.070 0.165 0.000 2.518 463 H HA 0.048 4.604 4.556 -0.000 0.000 0.289 463 H C 1.553 176.945 175.328 0.107 0.000 1.051 463 H CA 0.833 56.951 56.048 0.117 0.000 1.280 463 H CB -0.134 29.668 29.762 0.067 0.000 1.380 463 H HN 0.414 nan 8.280 nan 0.000 0.566 464 L N -0.037 121.304 121.223 0.198 0.000 2.456 464 L HA -0.102 4.237 4.340 -0.000 0.000 0.224 464 L C -0.218 176.518 176.870 -0.224 0.000 1.148 464 L CA 0.541 55.353 54.840 -0.046 0.000 0.825 464 L CB 0.026 41.966 42.059 -0.198 0.000 0.937 464 L HN 0.280 nan 8.230 nan 0.000 0.450 465 Y N -0.848 119.481 120.300 0.047 0.000 2.352 465 Y HA 0.401 4.950 4.550 -0.000 0.000 0.339 465 Y C 0.538 176.489 175.900 0.084 0.000 0.992 465 Y CA -1.339 56.786 58.100 0.042 0.000 1.100 465 Y CB 0.907 39.393 38.460 0.043 0.000 1.192 465 Y HN -0.140 nan 8.280 nan 0.000 0.458 466 R N 1.718 122.330 120.500 0.187 0.000 2.504 466 R HA 0.242 4.582 4.340 -0.000 0.000 0.291 466 R C 1.133 177.546 176.300 0.189 0.000 0.974 466 R CA 1.353 57.550 56.100 0.160 0.000 1.077 466 R CB -0.553 29.822 30.300 0.126 0.000 0.926 466 R HN 0.986 nan 8.270 nan 0.000 0.407 467 G N 3.870 112.776 108.800 0.177 0.000 2.205 467 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.261 467 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.261 467 G C 0.234 175.249 174.900 0.191 0.000 0.980 467 G CA 0.209 45.406 45.100 0.161 0.000 0.632 467 G HN 0.582 nan 8.290 nan 0.000 0.533 468 I N 0.875 121.579 120.570 0.223 0.000 2.379 468 I HA 0.380 4.549 4.170 -0.000 0.000 0.290 468 I C 0.028 176.297 176.117 0.253 0.000 1.063 468 I CA -0.449 60.980 61.300 0.215 0.000 1.351 468 I CB 0.597 38.709 38.000 0.186 0.000 1.410 468 I HN 0.101 nan 8.210 nan 0.000 0.505 469 F N 10.183 130.197 119.950 0.107 0.000 2.291 469 F HA 0.429 4.955 4.527 -0.000 0.000 0.368 469 F C -2.062 173.789 175.800 0.085 0.000 1.085 469 F CA -2.491 55.588 58.000 0.132 0.000 1.165 469 F CB 0.660 39.775 39.000 0.191 0.000 1.429 469 F HN 0.269 nan 8.300 nan 0.000 0.503 470 P HA 0.134 nan 4.420 nan 0.000 0.275 470 P C -1.118 176.107 177.300 -0.126 0.000 1.227 470 P CA -0.024 62.996 63.100 -0.133 0.000 0.781 470 P CB 2.086 33.631 31.700 -0.258 0.000 0.906 471 V N 3.872 123.781 119.914 -0.008 0.000 2.525 471 V HA 0.154 4.274 4.120 -0.000 0.000 0.299 471 V C 0.197 176.299 176.094 0.012 0.000 1.034 471 V CA -0.849 61.471 62.300 0.032 0.000 0.863 471 V CB 2.278 34.167 31.823 0.111 0.000 0.999 471 V HN 0.255 nan 8.190 nan 0.000 0.423 472 V N 4.037 123.955 119.914 0.007 0.000 2.455 472 V HA 0.192 4.312 4.120 -0.000 0.000 0.273 472 V C 0.396 176.457 176.094 -0.054 0.000 1.045 472 V CA -0.262 61.992 62.300 -0.077 0.000 0.976 472 V CB 1.254 32.945 31.823 -0.220 0.000 0.993 472 V HN 1.023 nan 8.190 nan 0.000 0.475 473 C N 6.594 125.871 119.300 -0.039 0.000 2.285 473 C HA 0.418 4.878 4.460 -0.000 0.000 0.335 473 C C 1.262 176.250 174.990 -0.004 0.000 1.267 473 C CA -0.562 58.448 59.018 -0.014 0.000 1.762 473 C CB -0.287 27.453 27.740 -0.001 0.000 2.365 473 C HN 1.021 nan 8.230 nan 0.000 0.527 474 K N 2.421 122.817 120.400 -0.006 0.000 2.358 474 K HA 0.129 4.449 4.320 -0.000 0.000 0.200 474 K C -0.136 176.476 176.600 0.020 0.000 1.030 474 K CA -0.053 56.248 56.287 0.023 0.000 1.097 474 K CB 0.241 32.740 32.500 -0.001 0.000 0.862 474 K HN 0.741 nan 8.250 nan 0.000 0.534 475 D N 3.318 123.723 120.400 0.008 0.000 2.443 475 D HA 0.016 4.656 4.640 -0.000 0.000 0.239 475 D C -2.256 174.049 176.300 0.010 0.000 1.136 475 D CA -0.961 53.041 54.000 0.003 0.000 0.879 475 D CB 0.353 41.148 40.800 -0.007 0.000 1.195 475 D HN 0.003 nan 8.370 nan 0.000 0.443 476 P HA -0.013 nan 4.420 nan 0.000 0.270 476 P C -0.431 176.876 177.300 0.012 0.000 1.223 476 P CA -0.415 62.693 63.100 0.012 0.000 0.785 476 P CB 0.483 32.188 31.700 0.008 0.000 0.923 477 V N 3.477 123.405 119.914 0.023 0.000 2.529 477 V HA -0.033 4.087 4.120 -0.000 0.000 0.292 477 V C 1.034 177.143 176.094 0.025 0.000 1.028 477 V CA 0.222 62.541 62.300 0.032 0.000 1.074 477 V CB -0.222 31.636 31.823 0.059 0.000 0.958 477 V HN 0.480 nan 8.190 nan 0.000 0.481 478 Q N 3.316 123.123 119.800 0.012 0.000 2.299 478 Q HA 0.167 4.506 4.340 -0.000 0.000 0.246 478 Q C 1.084 177.105 176.000 0.034 0.000 0.935 478 Q CA -0.161 55.646 55.803 0.006 0.000 0.887 478 Q CB 1.142 29.866 28.738 -0.024 0.000 1.223 478 Q HN 0.812 nan 8.270 nan 0.000 0.439 479 E N 1.749 121.966 120.200 0.028 0.000 2.051 479 E HA -0.102 4.247 4.350 -0.000 0.000 0.192 479 E C -0.164 176.470 176.600 0.057 0.000 0.991 479 E CA 0.902 57.325 56.400 0.038 0.000 0.799 479 E CB 0.214 29.927 29.700 0.021 0.000 0.748 479 E HN 0.665 nan 8.360 nan 0.000 0.449 480 A N 0.974 123.817 122.820 0.039 0.000 2.354 480 A HA -0.017 4.303 4.320 -0.000 0.000 0.281 480 A C 0.481 178.114 177.584 0.083 0.000 1.174 480 A CA -0.454 51.613 52.037 0.051 0.000 0.828 480 A CB -0.193 18.812 19.000 0.009 0.000 1.099 480 A HN 0.651 nan 8.150 nan 0.000 0.516 481 W N 3.129 124.383 121.300 -0.077 0.000 2.318 481 W HA -0.295 4.365 4.660 -0.000 0.000 0.313 481 W C 1.713 178.169 176.519 -0.104 0.000 1.221 481 W CA 2.120 59.411 57.345 -0.090 0.000 1.266 481 W CB -0.137 29.254 29.460 -0.115 0.000 1.150 481 W HN 0.783 nan 8.180 nan 0.000 0.496 482 A N 0.773 123.526 122.820 -0.113 0.000 1.908 482 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 482 A C 1.780 179.219 177.584 -0.241 0.000 1.181 482 A CA 2.066 53.962 52.037 -0.236 0.000 0.627 482 A CB -0.957 17.960 19.000 -0.138 0.000 0.818 482 A HN 0.526 nan 8.150 nan 0.000 0.445 483 E N -0.840 119.264 120.200 -0.160 0.000 2.152 483 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 483 E C 1.631 178.126 176.600 -0.176 0.000 0.983 483 E CA 1.054 57.374 56.400 -0.134 0.000 0.818 483 E CB -0.156 29.498 29.700 -0.077 0.000 0.758 483 E HN 0.713 nan 8.360 nan 0.000 0.467 484 D N 0.057 120.320 120.400 -0.228 0.000 2.144 484 D HA -0.117 4.523 4.640 -0.000 0.000 0.200 484 D C 1.857 177.928 176.300 -0.383 0.000 0.978 484 D CA 0.622 54.466 54.000 -0.259 0.000 0.833 484 D CB 0.265 40.932 40.800 -0.221 0.000 0.961 484 D HN -0.076 nan 8.370 nan 0.000 0.470 485 V N 0.694 120.254 119.914 -0.591 0.000 2.307 485 V HA -0.197 3.923 4.120 -0.000 0.000 0.245 485 V C 1.806 177.726 176.094 -0.289 0.000 1.045 485 V CA 1.887 63.861 62.300 -0.544 0.000 1.024 485 V CB -0.494 30.915 31.823 -0.690 0.000 0.651 485 V HN 0.217 nan 8.190 nan 0.000 0.449 486 D N -0.093 120.165 120.400 -0.238 0.000 2.117 486 D HA -0.169 4.470 4.640 -0.000 0.000 0.197 486 D C 2.038 178.273 176.300 -0.109 0.000 0.987 486 D CA 1.262 55.175 54.000 -0.145 0.000 0.829 486 D CB -0.346 40.383 40.800 -0.119 0.000 0.961 486 D HN 0.400 nan 8.370 nan 0.000 0.460 487 L N 0.584 121.737 121.223 -0.116 0.000 2.012 487 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 487 L C 2.340 179.172 176.870 -0.064 0.000 1.073 487 L CA 1.576 56.368 54.840 -0.079 0.000 0.748 487 L CB 0.026 42.038 42.059 -0.079 0.000 0.891 487 L HN -0.093 nan 8.230 nan 0.000 0.431 488 R N -1.103 119.343 120.500 -0.090 0.000 2.090 488 R HA -0.079 4.261 4.340 -0.000 0.000 0.228 488 R C 2.121 178.402 176.300 -0.032 0.000 1.110 488 R CA 1.296 57.361 56.100 -0.060 0.000 0.973 488 R CB -0.358 29.891 30.300 -0.084 0.000 0.869 488 R HN 0.299 nan 8.270 nan 0.000 0.440 489 V N 1.907 121.790 119.914 -0.052 0.000 2.343 489 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 489 V C 1.719 177.816 176.094 0.006 0.000 1.051 489 V CA 1.700 63.986 62.300 -0.023 0.000 1.036 489 V CB -0.517 31.278 31.823 -0.048 0.000 0.654 489 V HN 0.333 nan 8.190 nan 0.000 0.451 490 N N 0.135 118.829 118.700 -0.009 0.000 2.166 490 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 490 N C 1.685 177.216 175.510 0.036 0.000 1.019 490 N CA 1.275 54.332 53.050 0.011 0.000 0.856 490 N CB -0.503 37.980 38.487 -0.007 0.000 0.993 490 N HN 0.402 nan 8.380 nan 0.000 0.426 491 L N 1.147 122.387 121.223 0.027 0.000 2.012 491 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 491 L C 2.070 178.988 176.870 0.079 0.000 1.073 491 L CA 1.696 56.561 54.840 0.042 0.000 0.748 491 L CB -0.997 41.080 42.059 0.029 0.000 0.891 491 L HN 0.128 nan 8.230 nan 0.000 0.431 492 A N -0.791 122.088 122.820 0.098 0.000 1.902 492 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 492 A C 2.208 179.939 177.584 0.246 0.000 1.181 492 A CA 2.032 54.168 52.037 0.164 0.000 0.623 492 A CB -0.523 18.574 19.000 0.162 0.000 0.818 492 A HN 0.499 nan 8.150 nan 0.000 0.443 493 M N 0.002 119.736 119.600 0.223 0.000 2.080 493 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 493 M C 1.758 178.214 176.300 0.259 0.000 1.068 493 M CA 1.726 57.221 55.300 0.324 0.000 1.109 493 M CB -1.878 30.817 32.600 0.157 0.000 1.342 493 M HN 0.569 nan 8.290 nan 0.000 0.405 494 N N -0.240 118.533 118.700 0.122 0.000 2.120 494 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 494 N C 1.793 177.294 175.510 -0.016 0.000 1.024 494 N CA 0.930 54.010 53.050 0.051 0.000 0.852 494 N CB 0.006 38.515 38.487 0.036 0.000 1.003 494 N HN 0.056 nan 8.380 nan 0.000 0.424 495 V N 0.825 120.737 119.914 -0.003 0.000 2.261 495 V HA -0.191 3.928 4.120 -0.000 0.000 0.246 495 V C 2.437 178.340 176.094 -0.319 0.000 1.047 495 V CA 2.178 64.437 62.300 -0.068 0.000 1.015 495 V CB -1.192 30.673 31.823 0.071 0.000 0.642 495 V HN 0.444 nan 8.190 nan 0.000 0.446 496 G N -0.389 108.183 108.800 -0.381 0.000 2.440 496 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 496 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 496 G C 1.652 175.901 174.900 -1.085 0.000 1.154 496 G CA 0.907 45.360 45.100 -1.079 0.000 0.767 496 G HN 0.483 nan 8.290 nan 0.000 0.552 497 K N 0.575 120.640 120.400 -0.558 0.000 2.057 497 K HA 0.030 4.350 4.320 -0.000 0.000 0.207 497 K C 2.937 179.379 176.600 -0.264 0.000 1.049 497 K CA 1.040 57.167 56.287 -0.266 0.000 0.931 497 K CB -0.238 32.250 32.500 -0.020 0.000 0.714 497 K HN 0.274 nan 8.250 nan 0.000 0.440 498 A N 1.452 124.120 122.820 -0.253 0.000 1.969 498 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 498 A C 1.904 179.315 177.584 -0.288 0.000 1.169 498 A CA 1.099 53.014 52.037 -0.203 0.000 0.635 498 A CB -0.141 18.777 19.000 -0.137 0.000 0.810 498 A HN 0.105 nan 8.150 nan 0.000 0.445 499 R N -1.196 118.991 120.500 -0.522 0.000 2.297 499 R HA 0.103 4.442 4.340 -0.000 0.000 0.197 499 R C 1.244 177.181 176.300 -0.604 0.000 0.943 499 R CA 0.720 56.392 56.100 -0.714 0.000 1.038 499 R CB -0.575 28.859 30.300 -1.444 0.000 0.957 499 R HN 0.807 nan 8.270 nan 0.000 0.484 500 G N 1.017 109.552 108.800 -0.442 0.000 2.147 500 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.244 500 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.244 500 G C 0.465 175.332 174.900 -0.055 0.000 1.005 500 G CA 0.100 45.083 45.100 -0.195 0.000 0.713 500 G HN 0.241 nan 8.290 nan 0.000 0.515 501 F N -0.304 119.430 119.950 -0.361 0.000 2.367 501 F HA 0.373 4.900 4.527 -0.000 0.000 0.298 501 F C 1.385 177.095 175.800 -0.150 0.000 1.094 501 F CA 0.509 58.312 58.000 -0.329 0.000 1.409 501 F CB -0.547 38.146 39.000 -0.513 0.000 1.064 501 F HN 0.420 nan 8.300 nan 0.000 0.528 502 F N -2.379 117.653 119.950 0.136 0.000 2.773 502 F HA 0.676 5.202 4.527 -0.000 0.000 0.314 502 F C -0.993 174.826 175.800 0.032 0.000 1.160 502 F CA -2.219 55.824 58.000 0.072 0.000 0.920 502 F CB 1.007 40.047 39.000 0.066 0.000 1.323 502 F HN -0.422 nan 8.300 nan 0.000 0.457 503 K N 0.025 120.632 120.400 0.345 0.000 2.409 503 K HA 0.401 4.721 4.320 -0.000 0.000 0.252 503 K C -1.397 175.303 176.600 0.166 0.000 1.036 503 K CA -1.443 54.969 56.287 0.209 0.000 0.871 503 K CB 2.392 34.957 32.500 0.109 0.000 1.374 503 K HN 0.713 nan 8.250 nan 0.000 0.459 504 K N 0.468 120.931 120.400 0.105 0.000 2.530 504 K HA -0.090 4.230 4.320 -0.000 0.000 0.280 504 K C 0.605 177.224 176.600 0.031 0.000 1.004 504 K CA 1.751 58.071 56.287 0.054 0.000 1.071 504 K CB -0.187 32.336 32.500 0.038 0.000 0.876 504 K HN 0.785 nan 8.250 nan 0.000 0.487 505 G N 3.111 111.913 108.800 0.003 0.000 2.234 505 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.235 505 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.235 505 G C -0.149 174.741 174.900 -0.017 0.000 0.997 505 G CA 0.172 45.268 45.100 -0.008 0.000 0.623 505 G HN 0.718 nan 8.290 nan 0.000 0.514 506 D N 0.251 120.643 120.400 -0.013 0.000 2.363 506 D HA 0.484 5.124 4.640 -0.000 0.000 0.240 506 D C 0.968 177.208 176.300 -0.099 0.000 1.236 506 D CA 0.809 54.792 54.000 -0.028 0.000 0.927 506 D CB 1.529 42.343 40.800 0.022 0.000 1.150 506 D HN 0.991 nan 8.370 nan 0.000 0.458 507 V N -1.853 118.001 119.914 -0.100 0.000 2.628 507 V HA 0.779 4.898 4.120 -0.000 0.000 0.306 507 V C -0.059 175.936 176.094 -0.165 0.000 1.045 507 V CA -0.895 61.330 62.300 -0.125 0.000 0.905 507 V CB 1.471 33.251 31.823 -0.073 0.000 0.997 507 V HN 0.373 nan 8.190 nan 0.000 0.436 508 V N 1.634 121.432 119.914 -0.193 0.000 3.001 508 V HA 0.723 4.843 4.120 -0.000 0.000 0.314 508 V C -0.557 175.474 176.094 -0.104 0.000 1.099 508 V CA -0.900 61.294 62.300 -0.177 0.000 0.989 508 V CB 2.087 33.737 31.823 -0.289 0.000 1.040 508 V HN 0.821 nan 8.190 nan 0.000 0.434 509 I N 2.481 123.009 120.570 -0.070 0.000 2.353 509 I HA 0.557 4.727 4.170 -0.000 0.000 0.293 509 I C -0.190 175.910 176.117 -0.028 0.000 0.992 509 I CA -0.540 60.732 61.300 -0.046 0.000 1.268 509 I CB 1.379 39.353 38.000 -0.044 0.000 1.387 509 I HN 0.489 nan 8.210 nan 0.000 0.478 510 V N 7.467 127.371 119.914 -0.017 0.000 2.444 510 V HA 0.448 4.568 4.120 -0.000 0.000 0.294 510 V C -0.077 176.027 176.094 0.017 0.000 1.022 510 V CA -0.587 61.711 62.300 -0.002 0.000 0.850 510 V CB 2.272 34.087 31.823 -0.014 0.000 0.992 510 V HN 0.454 nan 8.190 nan 0.000 0.426 511 L N 5.531 126.771 121.223 0.028 0.000 2.305 511 L HA 0.797 5.137 4.340 -0.000 0.000 0.284 511 L C 0.213 177.111 176.870 0.047 0.000 1.013 511 L CA 0.027 54.893 54.840 0.044 0.000 0.819 511 L CB 2.032 44.123 42.059 0.053 0.000 1.227 511 L HN 0.911 nan 8.230 nan 0.000 0.417 512 T N -0.436 114.157 114.554 0.064 0.000 2.841 512 T HA 0.650 5.000 4.350 -0.000 0.000 0.296 512 T C -0.156 174.621 174.700 0.128 0.000 1.166 512 T CA -0.738 61.410 62.100 0.080 0.000 1.007 512 T CB 1.738 70.634 68.868 0.047 0.000 1.253 512 T HN 0.520 nan 8.240 nan 0.000 0.511 513 G N -0.243 108.689 108.800 0.221 0.000 2.356 513 G HA2 0.375 4.335 3.960 -0.000 0.000 0.298 513 G HA3 0.375 4.335 3.960 -0.000 0.000 0.298 513 G C 0.438 175.596 174.900 0.431 0.000 1.145 513 G CA -0.860 44.391 45.100 0.251 0.000 0.850 513 G HN 0.815 nan 8.290 nan 0.000 0.487 514 W N 2.939 124.284 121.300 0.075 0.000 2.363 514 W HA -0.005 4.655 4.660 -0.000 0.000 0.296 514 W C 0.217 176.821 176.519 0.143 0.000 1.212 514 W CA 0.668 58.078 57.345 0.108 0.000 1.260 514 W CB 0.362 29.814 29.460 -0.013 0.000 1.131 514 W HN 0.299 nan 8.180 nan 0.000 0.530 515 R N -1.448 119.022 120.500 -0.049 0.000 2.867 515 R HA 0.229 4.569 4.340 -0.000 0.000 0.268 515 R C -1.640 173.932 176.300 -1.213 0.000 1.014 515 R CA -1.935 53.793 56.100 -0.619 0.000 0.946 515 R CB 0.218 30.338 30.300 -0.300 0.000 1.208 515 R HN -0.287 nan 8.270 nan 0.000 0.477 516 P HA -0.096 nan 4.420 nan 0.000 0.218 516 P C 0.979 177.868 177.300 -0.685 0.000 1.148 516 P CA 1.356 63.493 63.100 -1.605 0.000 0.822 516 P CB 0.196 31.349 31.700 -0.912 0.000 0.784 517 G N -1.469 107.059 108.800 -0.454 0.000 3.042 517 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.212 517 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.212 517 G C 0.256 175.065 174.900 -0.153 0.000 1.166 517 G CA -0.024 44.938 45.100 -0.229 0.000 0.767 517 G HN 0.169 nan 8.290 nan 0.000 0.546 518 S N 0.333 115.922 115.700 -0.185 0.000 2.525 518 S HA 0.333 4.803 4.470 -0.000 0.000 0.285 518 S C 1.554 176.113 174.600 -0.068 0.000 1.283 518 S CA 0.129 58.250 58.200 -0.131 0.000 1.072 518 S CB 1.519 64.629 63.200 -0.149 0.000 0.867 518 S HN 0.305 nan 8.310 nan 0.000 0.492 519 G N 1.874 110.693 108.800 0.032 0.000 2.985 519 G HA2 0.360 4.320 3.960 -0.000 0.000 0.209 519 G HA3 0.360 4.320 3.960 -0.000 0.000 0.209 519 G C 0.017 175.101 174.900 0.307 0.000 1.165 519 G CA 0.005 45.206 45.100 0.169 0.000 0.776 519 G HN 0.650 nan 8.290 nan 0.000 0.541 520 F N -2.400 117.573 119.950 0.039 0.000 2.817 520 F HA 0.505 5.032 4.527 -0.000 0.000 0.317 520 F C -0.228 175.613 175.800 0.069 0.000 1.168 520 F CA -1.337 56.687 58.000 0.041 0.000 0.911 520 F CB 0.519 39.536 39.000 0.029 0.000 1.337 520 F HN -0.077 nan 8.300 nan 0.000 0.464 521 T N 0.470 115.077 114.554 0.089 0.000 2.978 521 T HA 0.185 4.535 4.350 -0.000 0.000 0.278 521 T C 0.220 174.858 174.700 -0.102 0.000 0.945 521 T CA -0.219 61.877 62.100 -0.005 0.000 1.070 521 T CB -0.736 68.183 68.868 0.085 0.000 0.948 521 T HN 0.741 nan 8.240 nan 0.000 0.617 522 N N 1.543 120.002 118.700 -0.401 0.000 2.322 522 N HA 0.062 4.801 4.740 -0.000 0.000 0.194 522 N C -0.474 174.984 175.510 -0.088 0.000 1.126 522 N CA -0.525 52.308 53.050 -0.363 0.000 0.845 522 N CB 0.319 38.393 38.487 -0.688 0.000 0.976 522 N HN 0.504 nan 8.380 nan 0.000 0.475 523 T N 1.283 115.840 114.554 0.006 0.000 2.881 523 T HA 0.318 4.668 4.350 -0.000 0.000 0.291 523 T C -0.867 173.874 174.700 0.068 0.000 0.990 523 T CA -0.666 61.478 62.100 0.072 0.000 0.976 523 T CB 1.725 70.745 68.868 0.254 0.000 0.970 523 T HN 0.052 nan 8.240 nan 0.000 0.438 524 M N 3.632 123.257 119.600 0.042 0.000 2.436 524 M HA 0.607 5.086 4.480 -0.000 0.000 0.331 524 M C -1.239 175.078 176.300 0.029 0.000 1.135 524 M CA -0.502 54.817 55.300 0.032 0.000 0.987 524 M CB 1.613 34.222 32.600 0.016 0.000 1.687 524 M HN 0.626 nan 8.290 nan 0.000 0.445 525 R N 1.891 122.403 120.500 0.020 0.000 2.725 525 R HA 0.672 5.012 4.340 -0.000 0.000 0.277 525 R C -1.075 175.218 176.300 -0.012 0.000 0.987 525 R CA -0.909 55.198 56.100 0.011 0.000 0.901 525 R CB 2.412 32.725 30.300 0.022 0.000 1.207 525 R HN 0.596 nan 8.270 nan 0.000 0.463 526 V N -0.224 119.680 119.914 -0.018 0.000 2.383 526 V HA 0.681 4.801 4.120 -0.000 0.000 0.275 526 V C -0.310 175.761 176.094 -0.038 0.000 1.036 526 V CA -0.559 61.721 62.300 -0.034 0.000 0.889 526 V CB 1.449 33.253 31.823 -0.033 0.000 0.985 526 V HN 0.383 nan 8.190 nan 0.000 0.459 527 V N 6.580 126.459 119.914 -0.059 0.000 2.638 527 V HA 0.546 4.666 4.120 -0.000 0.000 0.306 527 V C -2.383 173.655 176.094 -0.094 0.000 1.052 527 V CA -1.653 60.607 62.300 -0.066 0.000 0.885 527 V CB 2.436 34.218 31.823 -0.069 0.000 0.999 527 V HN 0.834 nan 8.190 nan 0.000 0.424 528 P HA 0.227 nan 4.420 nan 0.000 0.278 528 P C -0.418 176.814 177.300 -0.114 0.000 1.238 528 P CA -0.130 62.917 63.100 -0.088 0.000 0.794 528 P CB 1.174 32.841 31.700 -0.055 0.000 0.955 529 V N 5.483 125.305 119.914 -0.152 0.000 2.521 529 V HA 0.096 4.215 4.120 -0.000 0.000 0.286 529 V C -1.255 174.808 176.094 -0.051 0.000 1.034 529 V CA -0.847 61.361 62.300 -0.153 0.000 1.045 529 V CB 0.004 31.704 31.823 -0.205 0.000 0.974 529 V HN 0.647 nan 8.190 nan 0.000 0.480 530 P HA 0.000 nan 4.420 nan 0.000 0.216 530 P CA 0.000 63.098 63.100 -0.004 0.000 0.800 530 P CB 0.000 31.698 31.700 -0.004 0.000 0.726