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 3gjc_1_B DATA FIRST_RESID 3 DATA SEQUENCE VKREHWATRL GLILAMAGNA VGLGNFLRFP VQAAENGGGA FMIPYIIAFL DATA SEQUENCE LVGIPLMWIE WAMGRYGGAQ GHGTTPAIFY LLWRNRFAKI LGVFGLWIPL DATA SEQUENCE VVAIYYVYIE SWTLGFAIKF LVGLVPEPPP NATDPDSILR PFKEFLYSYI DATA SEQUENCE GVPKGDEPIL KPSLFAYIVF LITMFINVSI LIRGISKGIE RFAKIAMPTL DATA SEQUENCE FILAVFLVIR VFLLETPNGT AADGLNFLWT PDFEKLKDPG VWIAAVGQIF DATA SEQUENCE FTLSLGFGAI ITYASYVRKD QDIVLSGLTA ATLNEKASVI LGGSISIPAA DATA SEQUENCE VAFFGVANAV AIAKAGAFNL GFITLPAIFS QTAGGTFLGF LWFFLLFFAG DATA SEQUENCE LTSSIAIMQP MIAFLEDELK LSRKHAVLWT AAIVFFSAHL VMFLNKSLDE DATA SEQUENCE MDFWAGTIGV VFFGLTELII FFWIFGADKA WEEINRGGII KVPRIYYYVM DATA SEQUENCE RYITPAFLAV LLVVWAREXX XXXXEETHWT VWITRFYIIG LFLFLTFLVF DATA SEQUENCE LAER 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.060 176.094 -0.057 0.000 1.182 3 V CA 0.000 62.266 62.300 -0.057 0.000 1.235 3 V CB 0.000 31.788 31.823 -0.059 0.000 1.184 4 K N 2.550 122.911 120.400 -0.067 0.000 1.981 4 K HA 0.076 4.401 4.320 0.008 0.000 0.227 4 K C 0.385 176.954 176.600 -0.052 0.000 1.030 4 K CA 0.930 57.170 56.287 -0.079 0.000 1.042 4 K CB -0.066 32.394 32.500 -0.066 0.000 0.749 4 K HN 0.663 nan 8.250 nan 0.000 0.445 5 R N 1.761 122.257 120.500 -0.006 0.000 2.185 5 R HA -0.199 4.146 4.340 0.008 0.000 0.233 5 R C -0.591 175.821 176.300 0.187 0.000 1.342 5 R CA 0.669 56.821 56.100 0.086 0.000 1.287 5 R CB -0.841 29.498 30.300 0.065 0.000 3.422 5 R HN 0.535 nan 8.270 nan 0.000 0.285 6 E N 1.790 122.140 120.200 0.250 0.000 2.408 6 E HA 0.164 4.519 4.350 0.008 0.000 0.259 6 E C -0.008 176.901 176.600 0.516 0.000 1.110 6 E CA 0.030 56.531 56.400 0.169 0.000 0.929 6 E CB 0.502 30.140 29.700 -0.104 0.000 0.971 6 E HN 0.423 nan 8.360 nan 0.000 0.438 7 H N -0.105 118.896 119.070 -0.115 0.000 2.930 7 H HA 0.117 4.678 4.556 0.008 0.000 0.371 7 H C -0.879 174.350 175.328 -0.164 0.000 1.169 7 H CA -1.201 54.775 56.048 -0.120 0.000 1.157 7 H CB 0.881 30.650 29.762 0.012 0.000 1.789 7 H HN 0.495 nan 8.280 nan 0.000 0.547 8 W N 1.168 122.573 121.300 0.175 0.000 2.391 8 W HA 0.039 4.704 4.660 0.009 0.000 0.339 8 W C 1.224 177.799 176.519 0.092 0.000 1.252 8 W CA 0.065 57.468 57.345 0.097 0.000 1.304 8 W CB 0.342 29.860 29.460 0.096 0.000 1.179 8 W HN 0.745 nan 8.180 nan 0.000 0.567 9 A N 2.540 125.539 122.820 0.299 0.000 1.897 9 A HA 0.014 4.339 4.320 0.008 0.000 0.215 9 A C 1.004 178.688 177.584 0.166 0.000 1.181 9 A CA 1.771 53.913 52.037 0.175 0.000 0.620 9 A CB -0.514 18.559 19.000 0.123 0.000 0.821 9 A HN 0.581 nan 8.150 nan 0.000 0.443 10 T N -5.182 109.481 114.554 0.181 0.000 2.916 10 T HA 0.487 4.842 4.350 0.008 0.000 0.305 10 T C 0.427 175.188 174.700 0.101 0.000 1.119 10 T CA -0.273 61.898 62.100 0.120 0.000 1.008 10 T CB 1.734 70.644 68.868 0.070 0.000 1.129 10 T HN 0.265 nan 8.240 nan 0.000 0.480 11 R N 0.117 120.662 120.500 0.074 0.000 2.136 11 R HA -0.154 4.192 4.340 0.008 0.000 0.242 11 R C 2.148 178.438 176.300 -0.017 0.000 1.131 11 R CA 2.230 58.353 56.100 0.039 0.000 0.937 11 R CB -0.684 29.636 30.300 0.032 0.000 0.863 11 R HN 0.671 nan 8.270 nan 0.000 0.435 12 L N 0.375 121.586 121.223 -0.020 0.000 2.012 12 L HA -0.066 4.279 4.340 0.008 0.000 0.210 12 L C 2.214 179.036 176.870 -0.080 0.000 1.073 12 L CA 2.462 57.271 54.840 -0.052 0.000 0.748 12 L CB -1.050 40.983 42.059 -0.043 0.000 0.891 12 L HN 0.338 nan 8.230 nan 0.000 0.431 13 G N -0.105 108.670 108.800 -0.042 0.000 2.491 13 G HA2 -0.333 3.632 3.960 0.008 0.000 0.218 13 G HA3 -0.333 3.632 3.960 0.008 0.000 0.218 13 G C 1.526 176.312 174.900 -0.190 0.000 1.180 13 G CA 1.151 46.228 45.100 -0.038 0.000 0.774 13 G HN 0.452 nan 8.290 nan 0.000 0.562 14 L N 1.314 122.370 121.223 -0.277 0.000 1.941 14 L HA -0.173 4.173 4.340 0.008 0.000 0.224 14 L C 2.727 179.238 176.870 -0.598 0.000 1.081 14 L CA 1.753 56.100 54.840 -0.823 0.000 0.784 14 L CB -0.887 40.826 42.059 -0.577 0.000 0.894 14 L HN 0.252 nan 8.230 nan 0.000 0.436 15 I N -0.510 119.900 120.570 -0.267 0.000 2.121 15 I HA -0.393 3.782 4.170 0.008 0.000 0.243 15 I C 2.711 178.710 176.117 -0.196 0.000 1.047 15 I CA 2.241 63.454 61.300 -0.145 0.000 1.308 15 I CB -1.201 36.746 38.000 -0.089 0.000 1.015 15 I HN 0.424 nan 8.210 nan 0.000 0.410 16 L N 0.256 121.353 121.223 -0.210 0.000 2.109 16 L HA -0.128 4.217 4.340 0.008 0.000 0.207 16 L C 2.896 179.623 176.870 -0.239 0.000 1.086 16 L CA 1.070 55.797 54.840 -0.190 0.000 0.760 16 L CB -0.660 41.303 42.059 -0.161 0.000 0.910 16 L HN 0.217 nan 8.230 nan 0.000 0.437 17 A N -0.017 122.602 122.820 -0.335 0.000 1.865 17 A HA -0.250 4.075 4.320 0.008 0.000 0.217 17 A C 2.338 179.601 177.584 -0.535 0.000 1.191 17 A CA 1.714 53.512 52.037 -0.400 0.000 0.623 17 A CB -0.467 18.203 19.000 -0.551 0.000 0.826 17 A HN 0.257 nan 8.150 nan 0.000 0.444 18 M N -0.543 118.702 119.600 -0.592 0.000 2.149 18 M HA -0.168 4.317 4.480 0.008 0.000 0.261 18 M C 2.471 178.624 176.300 -0.244 0.000 1.064 18 M CA 1.683 56.709 55.300 -0.456 0.000 1.102 18 M CB -1.319 31.135 32.600 -0.244 0.000 1.369 18 M HN 0.527 nan 8.290 nan 0.000 0.408 19 A N -0.252 122.460 122.820 -0.181 0.000 1.929 19 A HA 0.046 4.371 4.320 0.008 0.000 0.216 19 A C 2.373 179.890 177.584 -0.111 0.000 1.176 19 A CA 1.729 53.700 52.037 -0.110 0.000 0.628 19 A CB -1.252 17.694 19.000 -0.090 0.000 0.816 19 A HN 0.516 nan 8.150 nan 0.000 0.444 20 G N 0.163 108.876 108.800 -0.145 0.000 2.422 20 G HA2 -0.278 3.687 3.960 0.008 0.000 0.218 20 G HA3 -0.278 3.687 3.960 0.008 0.000 0.218 20 G C 1.531 176.365 174.900 -0.110 0.000 1.140 20 G CA 1.067 46.104 45.100 -0.105 0.000 0.775 20 G HN 0.548 nan 8.290 nan 0.000 0.545 21 N N 1.697 120.274 118.700 -0.205 0.000 2.036 21 N HA -0.139 4.606 4.740 0.008 0.000 0.195 21 N C 2.393 177.810 175.510 -0.154 0.000 1.037 21 N CA 1.946 54.881 53.050 -0.192 0.000 0.855 21 N CB -0.418 37.884 38.487 -0.308 0.000 1.033 21 N HN 0.251 nan 8.380 nan 0.000 0.423 22 A N 0.549 123.292 122.820 -0.129 0.000 1.903 22 A HA 0.117 4.442 4.320 0.008 0.000 0.213 22 A C 1.284 178.832 177.584 -0.060 0.000 1.185 22 A CA 0.445 52.420 52.037 -0.105 0.000 0.628 22 A CB -0.344 18.619 19.000 -0.062 0.000 0.830 22 A HN 0.107 nan 8.150 nan 0.000 0.446 23 V N 1.608 121.506 119.914 -0.026 0.000 2.054 23 V HA 0.381 4.506 4.120 0.008 0.000 0.243 23 V C 0.965 177.134 176.094 0.125 0.000 1.480 23 V CA 0.178 62.499 62.300 0.034 0.000 1.440 23 V CB -0.940 30.913 31.823 0.051 0.000 1.489 23 V HN 0.489 nan 8.190 nan 0.000 0.502 24 G N 1.202 110.085 108.800 0.139 0.000 2.971 24 G HA2 0.499 4.464 3.960 0.008 0.000 0.235 24 G HA3 0.499 4.464 3.960 0.008 0.000 0.235 24 G C 0.693 175.790 174.900 0.329 0.000 1.351 24 G CA -0.881 44.357 45.100 0.230 0.000 1.039 24 G HN 0.394 nan 8.290 nan 0.000 0.563 25 L N 0.572 121.977 121.223 0.304 0.000 2.263 25 L HA -0.046 4.299 4.340 0.008 0.000 0.216 25 L C 2.912 179.989 176.870 0.345 0.000 1.111 25 L CA 1.086 56.070 54.840 0.239 0.000 0.773 25 L CB -0.621 41.460 42.059 0.037 0.000 0.906 25 L HN 0.626 nan 8.230 nan 0.000 0.439 26 G N 0.254 109.326 108.800 0.452 0.000 2.414 26 G HA2 -0.246 3.719 3.960 0.008 0.000 0.215 26 G HA3 -0.246 3.719 3.960 0.008 0.000 0.215 26 G C 1.371 176.449 174.900 0.297 0.000 1.188 26 G CA 0.598 46.001 45.100 0.506 0.000 0.783 26 G HN 0.333 nan 8.290 nan 0.000 0.537 27 N N 0.290 119.084 118.700 0.156 0.000 2.205 27 N HA -0.062 4.683 4.740 0.008 0.000 0.186 27 N C 1.627 176.982 175.510 -0.258 0.000 1.015 27 N CA 0.991 53.947 53.050 -0.157 0.000 0.862 27 N CB -0.297 37.936 38.487 -0.423 0.000 0.986 27 N HN 0.425 nan 8.380 nan 0.000 0.429 28 F N -0.547 119.486 119.950 0.138 0.000 2.553 28 F HA 0.306 4.838 4.527 0.008 0.000 0.282 28 F C 2.000 177.928 175.800 0.212 0.000 1.089 28 F CA 0.006 58.107 58.000 0.168 0.000 1.411 28 F CB 0.013 39.042 39.000 0.048 0.000 1.125 28 F HN -0.117 nan 8.300 nan 0.000 0.610 29 L N -0.914 120.500 121.223 0.318 0.000 2.298 29 L HA 0.132 4.477 4.340 0.008 0.000 0.209 29 L C 2.347 179.289 176.870 0.119 0.000 1.084 29 L CA 0.684 55.664 54.840 0.233 0.000 0.816 29 L CB -0.101 42.095 42.059 0.228 0.000 0.967 29 L HN 0.014 nan 8.230 nan 0.000 0.460 30 R N -0.629 119.941 120.500 0.117 0.000 2.102 30 R HA -0.013 4.332 4.340 0.008 0.000 0.208 30 R C 2.300 178.597 176.300 -0.005 0.000 1.131 30 R CA 0.504 56.611 56.100 0.013 0.000 1.054 30 R CB -0.163 30.143 30.300 0.009 0.000 0.954 30 R HN 0.041 nan 8.270 nan 0.000 0.465 31 F N 2.798 122.710 119.950 -0.064 0.000 2.063 31 F HA -0.157 4.374 4.527 0.008 0.000 0.298 31 F C -1.210 174.450 175.800 -0.233 0.000 1.109 31 F CA 1.776 59.690 58.000 -0.144 0.000 1.212 31 F CB -0.904 38.019 39.000 -0.129 0.000 0.973 31 F HN 0.051 nan 8.300 nan 0.000 0.480 32 P HA -0.181 nan 4.420 nan 0.000 0.216 32 P C 2.046 179.169 177.300 -0.296 0.000 1.150 32 P CA 1.967 64.980 63.100 -0.145 0.000 0.843 32 P CB -0.120 31.600 31.700 0.033 0.000 0.787 33 V N -0.199 119.565 119.914 -0.250 0.000 2.379 33 V HA -0.227 3.898 4.120 0.008 0.000 0.245 33 V C 2.560 178.416 176.094 -0.397 0.000 1.044 33 V CA 1.651 63.792 62.300 -0.265 0.000 1.036 33 V CB -1.146 30.558 31.823 -0.198 0.000 0.664 33 V HN 0.135 nan 8.190 nan 0.000 0.453 34 Q N 0.149 119.628 119.800 -0.535 0.000 2.084 34 Q HA -0.179 4.166 4.340 0.008 0.000 0.202 34 Q C 2.451 177.736 176.000 -1.192 0.000 0.978 34 Q CA 1.963 57.310 55.803 -0.760 0.000 0.844 34 Q CB -0.688 27.582 28.738 -0.780 0.000 0.898 34 Q HN 0.643 nan 8.270 nan 0.000 0.426 35 A N 1.177 123.158 122.820 -1.399 0.000 1.877 35 A HA -0.049 4.276 4.320 0.008 0.000 0.216 35 A C 2.239 179.483 177.584 -0.568 0.000 1.186 35 A CA 1.953 53.236 52.037 -1.257 0.000 0.620 35 A CB -0.558 17.827 19.000 -1.026 0.000 0.822 35 A HN 0.369 nan 8.150 nan 0.000 0.443 36 A N -0.963 121.658 122.820 -0.333 0.000 2.178 36 A HA 0.091 4.416 4.320 0.008 0.000 0.211 36 A C 1.851 179.411 177.584 -0.040 0.000 1.157 36 A CA 1.152 53.196 52.037 0.011 0.000 0.780 36 A CB -0.329 18.681 19.000 0.018 0.000 0.828 36 A HN 0.673 nan 8.150 nan 0.000 0.476 37 E N 0.710 120.792 120.200 -0.197 0.000 2.072 37 E HA -0.158 4.197 4.350 0.008 0.000 0.190 37 E C 1.055 177.584 176.600 -0.117 0.000 0.982 37 E CA 1.388 57.693 56.400 -0.158 0.000 0.803 37 E CB -0.141 29.432 29.700 -0.212 0.000 0.755 37 E HN 0.790 nan 8.360 nan 0.000 0.453 38 N N -1.292 117.312 118.700 -0.161 0.000 2.336 38 N HA 0.156 4.901 4.740 0.008 0.000 0.189 38 N C 0.704 176.150 175.510 -0.106 0.000 1.113 38 N CA 0.345 53.328 53.050 -0.112 0.000 0.858 38 N CB 1.246 39.675 38.487 -0.097 0.000 0.970 38 N HN 0.275 nan 8.380 nan 0.000 0.471 39 G N -0.594 108.141 108.800 -0.109 0.000 2.284 39 G HA2 -0.108 3.857 3.960 0.008 0.000 0.201 39 G HA3 -0.108 3.857 3.960 0.008 0.000 0.201 39 G C 0.834 175.392 174.900 -0.569 0.000 0.998 39 G CA -0.260 44.739 45.100 -0.168 0.000 0.651 39 G HN 0.589 nan 8.290 nan 0.000 0.489 40 G N -0.276 108.206 108.800 -0.530 0.000 4.365 40 G HA2 0.016 3.981 3.960 0.008 0.000 0.214 40 G HA3 0.016 3.981 3.960 0.008 0.000 0.214 40 G C 1.989 176.549 174.900 -0.566 0.000 1.450 40 G CA 1.361 46.004 45.100 -0.762 0.000 0.937 40 G HN 1.888 nan 8.290 nan 0.000 0.625 41 G N 0.984 109.440 108.800 -0.572 0.000 2.511 41 G HA2 0.384 4.349 3.960 0.008 0.000 0.217 41 G HA3 0.384 4.349 3.960 0.008 0.000 0.217 41 G C 1.867 176.557 174.900 -0.351 0.000 1.133 41 G CA 2.236 47.092 45.100 -0.406 0.000 0.792 41 G HN 1.677 nan 8.290 nan 0.000 0.539 42 A N -0.101 122.534 122.820 -0.309 0.000 2.066 42 A HA 0.239 4.564 4.320 0.008 0.000 0.218 42 A C 1.919 179.356 177.584 -0.245 0.000 1.157 42 A CA 0.931 52.815 52.037 -0.255 0.000 0.670 42 A CB -0.302 18.587 19.000 -0.185 0.000 0.804 42 A HN 0.370 nan 8.150 nan 0.000 0.453 43 F N -0.583 119.129 119.950 -0.395 0.000 2.243 43 F HA 0.058 4.590 4.527 0.008 0.000 0.287 43 F C 2.076 177.674 175.800 -0.337 0.000 1.067 43 F CA 1.050 58.821 58.000 -0.382 0.000 1.304 43 F CB -0.118 38.627 39.000 -0.425 0.000 1.087 43 F HN 0.033 nan 8.300 nan 0.000 0.513 44 M N 0.575 119.955 119.600 -0.368 0.000 2.192 44 M HA -0.228 4.257 4.480 0.008 0.000 0.259 44 M C 2.018 178.152 176.300 -0.277 0.000 1.071 44 M CA 1.251 56.305 55.300 -0.409 0.000 1.082 44 M CB -1.161 31.073 32.600 -0.609 0.000 1.373 44 M HN 0.199 nan 8.290 nan 0.000 0.408 45 I N -0.132 120.260 120.570 -0.298 0.000 2.206 45 I HA -0.105 4.070 4.170 0.008 0.000 0.239 45 I C -0.417 175.554 176.117 -0.244 0.000 1.078 45 I CA 1.146 62.326 61.300 -0.199 0.000 1.367 45 I CB -2.906 34.980 38.000 -0.190 0.000 1.078 45 I HN 0.097 nan 8.210 nan 0.000 0.413 46 P HA -0.208 nan 4.420 nan 0.000 0.219 46 P C 1.824 178.904 177.300 -0.365 0.000 1.146 46 P CA 1.395 64.068 63.100 -0.711 0.000 0.808 46 P CB -0.245 30.640 31.700 -1.358 0.000 0.779 47 Y N 0.237 120.176 120.300 -0.602 0.000 2.145 47 Y HA -0.187 4.368 4.550 0.008 0.000 0.286 47 Y C 2.124 177.941 175.900 -0.138 0.000 1.145 47 Y CA 1.501 59.312 58.100 -0.481 0.000 1.148 47 Y CB -0.929 37.093 38.460 -0.731 0.000 0.981 47 Y HN -0.184 nan 8.280 nan 0.000 0.507 48 I N -0.374 120.161 120.570 -0.058 0.000 2.179 48 I HA -0.330 3.845 4.170 0.008 0.000 0.242 48 I C 2.298 178.452 176.117 0.061 0.000 1.088 48 I CA 1.541 62.857 61.300 0.027 0.000 1.357 48 I CB -0.402 37.663 38.000 0.107 0.000 1.051 48 I HN 0.233 nan 8.210 nan 0.000 0.409 49 I N 0.774 121.373 120.570 0.048 0.000 2.099 49 I HA -0.355 3.820 4.170 0.008 0.000 0.239 49 I C 2.817 178.929 176.117 -0.008 0.000 1.066 49 I CA 1.641 62.986 61.300 0.075 0.000 1.324 49 I CB -0.594 37.539 38.000 0.221 0.000 1.037 49 I HN 0.201 nan 8.210 nan 0.000 0.401 50 A N 0.512 123.338 122.820 0.010 0.000 1.958 50 A HA -0.309 4.016 4.320 0.008 0.000 0.221 50 A C 2.252 179.763 177.584 -0.122 0.000 1.178 50 A CA 2.052 54.056 52.037 -0.056 0.000 0.642 50 A CB -1.149 17.888 19.000 0.060 0.000 0.816 50 A HN 0.522 nan 8.150 nan 0.000 0.453 51 F N 0.469 120.246 119.950 -0.289 0.000 2.102 51 F HA -0.128 4.404 4.527 0.008 0.000 0.298 51 F C 1.892 177.580 175.800 -0.188 0.000 1.105 51 F CA 1.793 59.616 58.000 -0.295 0.000 1.239 51 F CB -0.404 38.386 39.000 -0.350 0.000 0.991 51 F HN 0.147 nan 8.300 nan 0.000 0.474 52 L N -0.295 120.767 121.223 -0.268 0.000 2.093 52 L HA -0.189 4.156 4.340 0.008 0.000 0.208 52 L C 2.261 179.045 176.870 -0.142 0.000 1.085 52 L CA 1.025 55.713 54.840 -0.253 0.000 0.755 52 L CB -0.550 41.478 42.059 -0.052 0.000 0.904 52 L HN 0.247 nan 8.230 nan 0.000 0.435 53 L N -1.739 119.368 121.223 -0.195 0.000 2.554 53 L HA 0.043 4.388 4.340 0.008 0.000 0.225 53 L C 1.515 178.241 176.870 -0.241 0.000 1.104 53 L CA 0.032 54.737 54.840 -0.225 0.000 0.866 53 L CB 0.641 42.444 42.059 -0.426 0.000 1.047 53 L HN 0.079 nan 8.230 nan 0.000 0.468 54 V N -1.994 117.768 119.914 -0.254 0.000 3.177 54 V HA 0.190 4.315 4.120 0.008 0.000 0.220 54 V C 2.206 178.137 176.094 -0.271 0.000 1.395 54 V CA 0.850 63.020 62.300 -0.216 0.000 1.317 54 V CB -0.054 31.670 31.823 -0.164 0.000 1.148 54 V HN 0.270 nan 8.190 nan 0.000 0.499 55 G N 1.442 110.054 108.800 -0.313 0.000 2.480 55 G HA2 -0.187 3.778 3.960 0.008 0.000 0.216 55 G HA3 -0.187 3.778 3.960 0.008 0.000 0.216 55 G C 1.430 176.062 174.900 -0.447 0.000 1.200 55 G CA 1.474 46.383 45.100 -0.318 0.000 0.782 55 G HN 0.299 nan 8.290 nan 0.000 0.554 56 I N 2.202 122.348 120.570 -0.706 0.000 2.076 56 I HA -0.081 4.094 4.170 0.008 0.000 0.237 56 I C 0.192 175.883 176.117 -0.710 0.000 1.059 56 I CA 1.120 61.859 61.300 -0.934 0.000 1.317 56 I CB -2.211 35.127 38.000 -1.102 0.000 1.037 56 I HN 0.115 nan 8.210 nan 0.000 0.398 57 P HA -0.172 nan 4.420 nan 0.000 0.215 57 P C 2.396 179.691 177.300 -0.008 0.000 1.163 57 P CA 1.516 64.574 63.100 -0.070 0.000 0.894 57 P CB -0.075 31.640 31.700 0.025 0.000 0.791 58 L N -1.789 119.389 121.223 -0.076 0.000 2.079 58 L HA -0.193 4.152 4.340 0.008 0.000 0.210 58 L C 2.645 179.537 176.870 0.038 0.000 1.081 58 L CA 1.630 56.464 54.840 -0.010 0.000 0.752 58 L CB -0.601 41.399 42.059 -0.099 0.000 0.896 58 L HN 0.042 nan 8.230 nan 0.000 0.433 59 M N -1.216 118.346 119.600 -0.064 0.000 2.099 59 M HA -0.252 4.233 4.480 0.008 0.000 0.262 59 M C 2.181 178.606 176.300 0.208 0.000 1.067 59 M CA 1.889 57.215 55.300 0.043 0.000 1.124 59 M CB -0.287 32.243 32.600 -0.117 0.000 1.353 59 M HN 0.182 nan 8.290 nan 0.000 0.410 60 W N 1.072 122.380 121.300 0.014 0.000 2.342 60 W HA -0.158 4.507 4.660 0.008 0.000 0.297 60 W C 2.187 178.809 176.519 0.171 0.000 1.213 60 W CA 1.235 58.584 57.345 0.007 0.000 1.251 60 W CB -1.031 28.372 29.460 -0.095 0.000 1.136 60 W HN 0.338 nan 8.180 nan 0.000 0.526 61 I N 0.150 120.983 120.570 0.437 0.000 2.142 61 I HA -0.315 3.860 4.170 0.008 0.000 0.240 61 I C 2.311 178.499 176.117 0.119 0.000 1.078 61 I CA 1.619 63.149 61.300 0.383 0.000 1.343 61 I CB -0.558 37.703 38.000 0.435 0.000 1.046 61 I HN -0.056 nan 8.210 nan 0.000 0.405 62 E N -0.208 120.098 120.200 0.178 0.000 2.051 62 E HA -0.254 4.101 4.350 0.008 0.000 0.192 62 E C 2.054 178.747 176.600 0.154 0.000 0.991 62 E CA 1.587 58.064 56.400 0.128 0.000 0.799 62 E CB -0.216 29.580 29.700 0.161 0.000 0.748 62 E HN 0.445 nan 8.360 nan 0.000 0.449 63 W N 0.893 122.236 121.300 0.073 0.000 2.321 63 W HA -0.229 4.436 4.660 0.009 0.000 0.306 63 W C 2.569 179.123 176.519 0.059 0.000 1.217 63 W CA 1.564 58.965 57.345 0.094 0.000 1.257 63 W CB -0.625 28.916 29.460 0.136 0.000 1.145 63 W HN 0.114 nan 8.180 nan 0.000 0.509 64 A N -0.440 122.540 122.820 0.266 0.000 1.873 64 A HA -0.199 4.126 4.320 0.008 0.000 0.215 64 A C 1.947 179.495 177.584 -0.061 0.000 1.186 64 A CA 2.024 54.140 52.037 0.132 0.000 0.616 64 A CB -0.868 18.252 19.000 0.200 0.000 0.823 64 A HN 0.265 nan 8.150 nan 0.000 0.442 65 M N -0.433 118.962 119.600 -0.341 0.000 2.159 65 M HA -0.064 4.421 4.480 0.008 0.000 0.263 65 M C 2.269 178.555 176.300 -0.024 0.000 1.063 65 M CA 1.327 56.426 55.300 -0.334 0.000 1.110 65 M CB -0.616 31.737 32.600 -0.411 0.000 1.374 65 M HN 0.487 nan 8.290 nan 0.000 0.411 66 G N 0.328 109.127 108.800 -0.002 0.000 2.414 66 G HA2 -0.212 3.753 3.960 0.008 0.000 0.215 66 G HA3 -0.212 3.753 3.960 0.008 0.000 0.215 66 G C 1.645 176.550 174.900 0.008 0.000 1.188 66 G CA 0.695 45.796 45.100 0.002 0.000 0.783 66 G HN 0.384 nan 8.290 nan 0.000 0.537 67 R N -0.988 119.551 120.500 0.066 0.000 2.115 67 R HA -0.084 4.261 4.340 0.008 0.000 0.230 67 R C 2.227 178.570 176.300 0.072 0.000 1.111 67 R CA 1.187 57.327 56.100 0.067 0.000 0.976 67 R CB -0.452 29.934 30.300 0.144 0.000 0.870 67 R HN 0.450 nan 8.270 nan 0.000 0.445 68 Y N 0.210 120.507 120.300 -0.006 0.000 2.114 68 Y HA -0.095 4.460 4.550 0.008 0.000 0.284 68 Y C 2.109 178.010 175.900 0.002 0.000 1.143 68 Y CA 2.038 60.138 58.100 0.001 0.000 1.135 68 Y CB -0.760 37.681 38.460 -0.031 0.000 0.980 68 Y HN 0.116 nan 8.280 nan 0.000 0.499 69 G N -0.652 108.158 108.800 0.017 0.000 2.408 69 G HA2 -0.211 3.754 3.960 0.008 0.000 0.217 69 G HA3 -0.211 3.754 3.960 0.008 0.000 0.217 69 G C 1.898 176.743 174.900 -0.092 0.000 1.150 69 G CA 0.690 45.772 45.100 -0.029 0.000 0.776 69 G HN 0.639 nan 8.290 nan 0.000 0.542 70 G N 1.246 109.976 108.800 -0.116 0.000 2.469 70 G HA2 -0.026 3.939 3.960 0.008 0.000 0.219 70 G HA3 -0.026 3.939 3.960 0.008 0.000 0.219 70 G C 2.006 176.813 174.900 -0.155 0.000 1.150 70 G CA 1.525 46.514 45.100 -0.184 0.000 0.763 70 G HN 0.667 nan 8.290 nan 0.000 0.561 71 A N -0.225 122.516 122.820 -0.133 0.000 2.067 71 A HA 0.029 4.354 4.320 0.008 0.000 0.219 71 A C 2.144 179.658 177.584 -0.117 0.000 1.158 71 A CA 1.531 53.510 52.037 -0.098 0.000 0.661 71 A CB -0.145 18.803 19.000 -0.086 0.000 0.801 71 A HN 0.492 nan 8.150 nan 0.000 0.452 72 Q N -1.933 117.773 119.800 -0.156 0.000 2.219 72 Q HA 0.323 4.668 4.340 0.008 0.000 0.209 72 Q C 0.926 176.785 176.000 -0.235 0.000 0.854 72 Q CA 0.288 56.013 55.803 -0.131 0.000 0.960 72 Q CB 0.534 29.222 28.738 -0.083 0.000 1.116 72 Q HN 0.800 nan 8.270 nan 0.000 0.500 73 G N 0.974 109.607 108.800 -0.279 0.000 2.175 73 G HA2 -0.192 3.773 3.960 0.008 0.000 0.244 73 G HA3 -0.192 3.773 3.960 0.008 0.000 0.244 73 G C -0.207 174.358 174.900 -0.559 0.000 0.982 73 G CA -0.368 44.480 45.100 -0.420 0.000 0.641 73 G HN 0.405 nan 8.290 nan 0.000 0.527 74 H N -0.418 118.584 119.070 -0.113 0.000 2.505 74 H HA 0.579 5.140 4.556 0.008 0.000 0.338 74 H C 0.939 176.196 175.328 -0.120 0.000 1.057 74 H CA 0.060 56.049 56.048 -0.099 0.000 1.202 74 H CB 1.620 31.356 29.762 -0.043 0.000 1.466 74 H HN 0.268 nan 8.280 nan 0.000 0.499 75 G N 2.016 110.797 108.800 -0.031 0.000 3.192 75 G HA2 0.015 3.980 3.960 0.008 0.000 0.239 75 G HA3 0.015 3.980 3.960 0.008 0.000 0.239 75 G C 0.452 175.332 174.900 -0.033 0.000 1.084 75 G CA 0.098 45.126 45.100 -0.119 0.000 0.784 75 G HN 0.598 nan 8.290 nan 0.000 0.540 76 T N -3.173 111.407 114.554 0.044 0.000 2.942 76 T HA 0.465 4.820 4.350 0.008 0.000 0.289 76 T C 1.437 176.161 174.700 0.039 0.000 1.044 76 T CA 0.413 62.547 62.100 0.057 0.000 1.023 76 T CB 1.584 70.528 68.868 0.125 0.000 1.123 76 T HN 0.000 nan 8.240 nan 0.000 0.512 77 T N -2.465 112.063 114.554 -0.044 0.000 3.023 77 T HA 0.144 4.499 4.350 0.008 0.000 0.266 77 T C -1.178 173.405 174.700 -0.196 0.000 1.093 77 T CA 0.345 62.311 62.100 -0.224 0.000 1.129 77 T CB -1.512 67.039 68.868 -0.527 0.000 0.899 77 T HN 0.408 nan 8.240 nan 0.000 0.491 78 P HA 0.083 nan 4.420 nan 0.000 0.216 78 P C 1.768 179.110 177.300 0.069 0.000 1.153 78 P CA 1.437 64.535 63.100 -0.002 0.000 0.848 78 P CB -0.284 31.406 31.700 -0.017 0.000 0.787 79 A N -0.954 121.887 122.820 0.034 0.000 1.874 79 A HA -0.090 4.235 4.320 0.008 0.000 0.214 79 A C 2.212 179.834 177.584 0.062 0.000 1.189 79 A CA 1.109 53.100 52.037 -0.077 0.000 0.615 79 A CB -1.497 17.309 19.000 -0.324 0.000 0.830 79 A HN 0.057 nan 8.150 nan 0.000 0.443 80 I N -1.382 119.269 120.570 0.135 0.000 2.179 80 I HA -0.231 3.944 4.170 0.008 0.000 0.242 80 I C 2.239 178.596 176.117 0.401 0.000 1.088 80 I CA 1.219 62.665 61.300 0.242 0.000 1.357 80 I CB -0.388 37.744 38.000 0.221 0.000 1.051 80 I HN 0.244 nan 8.210 nan 0.000 0.409 81 F N 0.187 120.249 119.950 0.187 0.000 2.154 81 F HA -0.289 4.244 4.527 0.009 0.000 0.301 81 F C 2.510 178.496 175.800 0.310 0.000 1.087 81 F CA 1.366 59.517 58.000 0.252 0.000 1.274 81 F CB -1.286 37.893 39.000 0.297 0.000 1.009 81 F HN 0.119 nan 8.300 nan 0.000 0.485 82 Y N 0.104 120.597 120.300 0.320 0.000 2.263 82 Y HA -0.122 4.434 4.550 0.009 0.000 0.292 82 Y C 2.139 178.127 175.900 0.147 0.000 1.130 82 Y CA 1.241 59.435 58.100 0.157 0.000 1.179 82 Y CB -0.448 38.039 38.460 0.045 0.000 0.998 82 Y HN -0.021 nan 8.280 nan 0.000 0.532 83 L N -0.612 120.723 121.223 0.186 0.000 2.046 83 L HA -0.246 4.099 4.340 0.008 0.000 0.208 83 L C 2.201 179.210 176.870 0.231 0.000 1.077 83 L CA 1.369 56.309 54.840 0.167 0.000 0.747 83 L CB -0.553 41.662 42.059 0.260 0.000 0.896 83 L HN 0.269 nan 8.230 nan 0.000 0.432 84 L N -2.545 118.823 121.223 0.242 0.000 2.209 84 L HA -0.071 4.274 4.340 0.008 0.000 0.207 84 L C 0.569 177.709 176.870 0.449 0.000 1.094 84 L CA 0.331 55.314 54.840 0.239 0.000 0.790 84 L CB -0.082 41.932 42.059 -0.075 0.000 0.932 84 L HN 0.314 nan 8.230 nan 0.000 0.447 85 W N 1.573 122.930 121.300 0.094 0.000 2.492 85 W HA 0.340 5.005 4.660 0.008 0.000 0.287 85 W C -0.264 176.221 176.519 -0.057 0.000 1.008 85 W CA -1.321 56.060 57.345 0.059 0.000 1.557 85 W CB 0.450 29.955 29.460 0.075 0.000 1.419 85 W HN -0.215 nan 8.180 nan 0.000 0.408 86 R N 4.766 125.043 120.500 -0.371 0.000 2.543 86 R HA 0.016 4.361 4.340 0.008 0.000 0.348 86 R C -0.488 175.388 176.300 -0.706 0.000 0.981 86 R CA 0.509 56.186 56.100 -0.704 0.000 1.019 86 R CB -0.540 29.512 30.300 -0.412 0.000 0.944 86 R HN 0.604 nan 8.270 nan 0.000 0.425 87 N N 0.163 118.504 118.700 -0.598 0.000 3.521 87 N HA 0.058 4.803 4.740 0.008 0.000 0.228 87 N C 0.195 175.666 175.510 -0.064 0.000 1.328 87 N CA -0.618 52.146 53.050 -0.477 0.000 0.907 87 N CB 0.902 38.608 38.487 -1.301 0.000 1.487 87 N HN 0.294 nan 8.380 nan 0.000 0.503 88 R N 0.557 121.059 120.500 0.003 0.000 2.073 88 R HA 0.085 4.430 4.340 0.008 0.000 0.229 88 R C 1.230 177.636 176.300 0.177 0.000 1.120 88 R CA 1.009 57.164 56.100 0.092 0.000 0.967 88 R CB -0.249 30.113 30.300 0.105 0.000 0.862 88 R HN 0.562 nan 8.270 nan 0.000 0.436 89 F N 1.114 121.086 119.950 0.035 0.000 2.408 89 F HA -0.051 4.481 4.527 0.009 0.000 0.300 89 F C 1.984 178.025 175.800 0.403 0.000 1.090 89 F CA 0.823 58.963 58.000 0.234 0.000 1.427 89 F CB -0.192 39.029 39.000 0.369 0.000 1.070 89 F HN 0.074 nan 8.300 nan 0.000 0.549 90 A N -0.046 122.953 122.820 0.298 0.000 1.873 90 A HA -0.201 4.124 4.320 0.008 0.000 0.215 90 A C 2.301 180.161 177.584 0.459 0.000 1.186 90 A CA 1.707 54.077 52.037 0.555 0.000 0.616 90 A CB -0.549 18.661 19.000 0.351 0.000 0.823 90 A HN 0.356 nan 8.150 nan 0.000 0.442 91 K N -0.421 120.136 120.400 0.262 0.000 2.097 91 K HA -0.048 4.277 4.320 0.008 0.000 0.206 91 K C 1.775 178.418 176.600 0.072 0.000 1.049 91 K CA 1.491 57.853 56.287 0.125 0.000 0.933 91 K CB -0.345 32.138 32.500 -0.028 0.000 0.717 91 K HN 0.555 nan 8.250 nan 0.000 0.442 92 I N 0.904 121.511 120.570 0.062 0.000 2.163 92 I HA -0.283 3.892 4.170 0.008 0.000 0.240 92 I C 2.128 178.298 176.117 0.088 0.000 1.081 92 I CA 1.215 62.515 61.300 0.000 0.000 1.353 92 I CB -0.283 37.684 38.000 -0.055 0.000 1.054 92 I HN 0.098 nan 8.210 nan 0.000 0.407 93 L N 0.618 121.937 121.223 0.160 0.000 2.079 93 L HA -0.150 4.195 4.340 0.008 0.000 0.210 93 L C 2.640 179.859 176.870 0.582 0.000 1.081 93 L CA 1.453 56.579 54.840 0.476 0.000 0.752 93 L CB -1.118 41.220 42.059 0.464 0.000 0.896 93 L HN 0.343 nan 8.230 nan 0.000 0.433 94 G N -0.477 108.526 108.800 0.338 0.000 2.479 94 G HA2 -0.194 3.771 3.960 0.008 0.000 0.220 94 G HA3 -0.194 3.771 3.960 0.008 0.000 0.220 94 G C 1.550 176.385 174.900 -0.109 0.000 1.115 94 G CA 0.797 45.858 45.100 -0.066 0.000 0.757 94 G HN 0.240 nan 8.290 nan 0.000 0.560 95 V N 0.226 120.050 119.914 -0.150 0.000 2.594 95 V HA -0.129 3.996 4.120 0.008 0.000 0.253 95 V C 2.368 178.219 176.094 -0.405 0.000 1.069 95 V CA 1.251 63.281 62.300 -0.450 0.000 1.082 95 V CB -0.619 30.686 31.823 -0.865 0.000 0.680 95 V HN 0.371 nan 8.190 nan 0.000 0.469 96 F N 1.243 121.100 119.950 -0.156 0.000 2.365 96 F HA -0.006 4.527 4.527 0.010 0.000 0.300 96 F C 2.319 177.764 175.800 -0.592 0.000 1.090 96 F CA 1.305 59.178 58.000 -0.211 0.000 1.408 96 F CB -0.804 38.040 39.000 -0.260 0.000 1.060 96 F HN 0.238 nan 8.300 nan 0.000 0.534 97 G N -0.682 107.795 108.800 -0.537 0.000 2.744 97 G HA2 -0.021 3.944 3.960 0.008 0.000 0.211 97 G HA3 -0.021 3.944 3.960 0.008 0.000 0.211 97 G C 1.489 176.289 174.900 -0.166 0.000 1.143 97 G CA 0.348 45.232 45.100 -0.360 0.000 0.788 97 G HN 0.346 nan 8.290 nan 0.000 0.534 98 L N -2.284 118.822 121.223 -0.195 0.000 2.467 98 L HA 0.272 4.617 4.340 0.008 0.000 0.213 98 L C 2.358 179.179 176.870 -0.081 0.000 1.053 98 L CA -0.130 54.601 54.840 -0.183 0.000 0.847 98 L CB -0.124 41.713 42.059 -0.370 0.000 1.075 98 L HN 0.328 nan 8.230 nan 0.000 0.479 99 W N 1.667 122.814 121.300 -0.256 0.000 2.408 99 W HA -0.102 4.562 4.660 0.007 0.000 0.311 99 W C 2.234 178.745 176.519 -0.014 0.000 1.190 99 W CA 1.460 58.723 57.345 -0.138 0.000 1.321 99 W CB -0.153 29.229 29.460 -0.131 0.000 1.143 99 W HN -0.089 nan 8.180 nan 0.000 0.501 100 I N 1.316 121.912 120.570 0.044 0.000 2.151 100 I HA -0.300 3.875 4.170 0.008 0.000 0.243 100 I C -0.562 175.512 176.117 -0.072 0.000 1.080 100 I CA 1.623 62.861 61.300 -0.103 0.000 1.339 100 I CB -2.100 35.860 38.000 -0.067 0.000 1.039 100 I HN -0.028 nan 8.210 nan 0.000 0.409 101 P HA -0.161 nan 4.420 nan 0.000 0.215 101 P C 1.852 179.134 177.300 -0.031 0.000 1.157 101 P CA 1.093 64.217 63.100 0.041 0.000 0.863 101 P CB -0.027 31.692 31.700 0.032 0.000 0.787 102 L N -0.088 121.099 121.223 -0.059 0.000 1.971 102 L HA -0.176 4.169 4.340 0.008 0.000 0.215 102 L C 2.333 179.166 176.870 -0.061 0.000 1.072 102 L CA 2.012 56.827 54.840 -0.041 0.000 0.758 102 L CB -1.427 40.612 42.059 -0.034 0.000 0.889 102 L HN -0.190 nan 8.230 nan 0.000 0.433 103 V N -1.244 118.547 119.914 -0.205 0.000 2.255 103 V HA -0.312 3.813 4.120 0.008 0.000 0.247 103 V C 2.526 178.635 176.094 0.025 0.000 1.051 103 V CA 1.739 63.946 62.300 -0.155 0.000 1.018 103 V CB -0.713 30.819 31.823 -0.485 0.000 0.641 103 V HN 0.353 nan 8.190 nan 0.000 0.445 104 V N 0.442 120.352 119.914 -0.005 0.000 2.287 104 V HA -0.307 3.818 4.120 0.008 0.000 0.248 104 V C 2.757 178.638 176.094 -0.355 0.000 1.053 104 V CA 2.119 64.340 62.300 -0.132 0.000 1.027 104 V CB -1.308 30.562 31.823 0.080 0.000 0.646 104 V HN 0.579 nan 8.190 nan 0.000 0.447 105 A N -0.292 122.442 122.820 -0.143 0.000 1.986 105 A HA -0.221 4.104 4.320 0.008 0.000 0.220 105 A C 2.145 179.747 177.584 0.029 0.000 1.171 105 A CA 2.073 54.075 52.037 -0.058 0.000 0.640 105 A CB -0.646 18.351 19.000 -0.006 0.000 0.811 105 A HN 0.570 nan 8.150 nan 0.000 0.451 106 I N -1.350 119.252 120.570 0.053 0.000 2.546 106 I HA -0.219 3.956 4.170 0.008 0.000 0.255 106 I C 2.240 178.478 176.117 0.202 0.000 1.163 106 I CA 1.426 62.822 61.300 0.160 0.000 1.457 106 I CB -0.213 37.904 38.000 0.194 0.000 1.092 106 I HN 0.737 nan 8.210 nan 0.000 0.434 107 Y N -2.656 117.748 120.300 0.173 0.000 2.524 107 Y HA 0.089 4.644 4.550 0.008 0.000 0.270 107 Y C 2.289 178.290 175.900 0.168 0.000 1.094 107 Y CA -0.196 57.996 58.100 0.154 0.000 1.276 107 Y CB -1.021 37.531 38.460 0.153 0.000 1.130 107 Y HN -0.063 nan 8.280 nan 0.000 0.536 108 Y N 1.882 121.956 120.300 -0.376 0.000 2.070 108 Y HA -0.229 4.325 4.550 0.008 0.000 0.280 108 Y C 2.423 178.290 175.900 -0.056 0.000 1.148 108 Y CA 2.527 60.497 58.100 -0.218 0.000 1.125 108 Y CB -0.471 37.823 38.460 -0.277 0.000 0.975 108 Y HN 0.012 nan 8.280 nan 0.000 0.492 109 V N -0.424 119.619 119.914 0.215 0.000 2.568 109 V HA -0.313 3.812 4.120 0.008 0.000 0.253 109 V C 1.917 178.188 176.094 0.295 0.000 1.072 109 V CA 2.008 64.451 62.300 0.237 0.000 1.084 109 V CB -1.188 30.805 31.823 0.283 0.000 0.676 109 V HN 0.531 nan 8.190 nan 0.000 0.469 110 Y N 0.775 121.112 120.300 0.063 0.000 2.163 110 Y HA -0.144 4.411 4.550 0.009 0.000 0.288 110 Y C 2.246 177.789 175.900 -0.595 0.000 1.136 110 Y CA 1.305 59.300 58.100 -0.175 0.000 1.147 110 Y CB -0.297 37.942 38.460 -0.367 0.000 0.987 110 Y HN 0.188 nan 8.280 nan 0.000 0.509 111 I N 0.203 120.205 120.570 -0.946 0.000 2.226 111 I HA -0.307 3.868 4.170 0.008 0.000 0.245 111 I C 2.483 178.190 176.117 -0.683 0.000 1.100 111 I CA 1.933 62.338 61.300 -1.491 0.000 1.374 111 I CB -0.597 36.872 38.000 -0.885 0.000 1.057 111 I HN 0.293 nan 8.210 nan 0.000 0.413 112 E N 1.303 121.283 120.200 -0.367 0.000 2.130 112 E HA -0.283 4.072 4.350 0.008 0.000 0.196 112 E C 2.238 178.912 176.600 0.125 0.000 0.998 112 E CA 1.964 58.303 56.400 -0.102 0.000 0.806 112 E CB 0.009 29.665 29.700 -0.073 0.000 0.738 112 E HN 0.552 nan 8.360 nan 0.000 0.459 113 S N -0.554 115.209 115.700 0.105 0.000 2.423 113 S HA -0.132 4.343 4.470 0.008 0.000 0.231 113 S C 1.606 176.402 174.600 0.327 0.000 1.014 113 S CA 0.653 59.007 58.200 0.258 0.000 0.965 113 S CB -0.562 62.874 63.200 0.393 0.000 0.785 113 S HN 0.397 nan 8.310 nan 0.000 0.495 114 W N 3.057 124.384 121.300 0.045 0.000 2.354 114 W HA -0.050 4.615 4.660 0.008 0.000 0.315 114 W C 3.143 179.869 176.519 0.345 0.000 1.206 114 W CA 1.504 58.901 57.345 0.087 0.000 1.290 114 W CB -1.862 27.527 29.460 -0.117 0.000 1.152 114 W HN 0.594 nan 8.180 nan 0.000 0.489 115 T N -0.071 114.840 114.554 0.595 0.000 2.624 115 T HA -0.308 4.047 4.350 0.008 0.000 0.268 115 T C 1.965 176.806 174.700 0.236 0.000 1.041 115 T CA 1.955 64.293 62.100 0.397 0.000 1.159 115 T CB -1.076 67.958 68.868 0.276 0.000 0.863 115 T HN -0.022 nan 8.240 nan 0.000 0.434 116 L N 2.461 123.737 121.223 0.089 0.000 1.997 116 L HA 0.079 4.424 4.340 0.008 0.000 0.216 116 L C 2.841 179.719 176.870 0.012 0.000 1.074 116 L CA 2.393 57.083 54.840 -0.251 0.000 0.763 116 L CB -1.388 40.348 42.059 -0.538 0.000 0.890 116 L HN 0.476 nan 8.230 nan 0.000 0.434 117 G N -1.619 107.241 108.800 0.100 0.000 2.422 117 G HA2 -0.294 3.671 3.960 0.008 0.000 0.218 117 G HA3 -0.294 3.671 3.960 0.008 0.000 0.218 117 G C 1.458 176.482 174.900 0.207 0.000 1.146 117 G CA 0.993 46.189 45.100 0.161 0.000 0.769 117 G HN 0.444 nan 8.290 nan 0.000 0.547 118 F N 1.623 121.599 119.950 0.043 0.000 2.146 118 F HA 0.103 4.636 4.527 0.008 0.000 0.298 118 F C 3.078 179.084 175.800 0.343 0.000 1.096 118 F CA 0.859 58.903 58.000 0.073 0.000 1.275 118 F CB -0.415 38.184 39.000 -0.667 0.000 1.008 118 F HN 0.230 nan 8.300 nan 0.000 0.480 119 A N 0.835 123.917 122.820 0.437 0.000 1.873 119 A HA -0.213 4.112 4.320 0.008 0.000 0.218 119 A C 2.231 180.182 177.584 0.612 0.000 1.193 119 A CA 2.034 54.393 52.037 0.535 0.000 0.629 119 A CB -1.255 17.929 19.000 0.307 0.000 0.826 119 A HN 0.386 nan 8.150 nan 0.000 0.447 120 I N -0.474 120.350 120.570 0.424 0.000 2.151 120 I HA -0.335 3.840 4.170 0.008 0.000 0.243 120 I C 2.485 178.783 176.117 0.302 0.000 1.080 120 I CA 1.993 63.502 61.300 0.350 0.000 1.339 120 I CB -0.321 37.895 38.000 0.360 0.000 1.039 120 I HN 0.334 nan 8.210 nan 0.000 0.409 121 K N -0.094 120.502 120.400 0.326 0.000 2.155 121 K HA -0.106 4.219 4.320 0.008 0.000 0.203 121 K C 2.074 178.763 176.600 0.148 0.000 1.052 121 K CA 1.268 57.660 56.287 0.175 0.000 0.948 121 K CB -0.166 32.443 32.500 0.182 0.000 0.728 121 K HN 0.138 nan 8.250 nan 0.000 0.448 122 F N 1.190 121.273 119.950 0.221 0.000 2.084 122 F HA -0.194 4.338 4.527 0.008 0.000 0.296 122 F C 2.234 178.113 175.800 0.132 0.000 1.111 122 F CA 0.793 58.930 58.000 0.228 0.000 1.224 122 F CB -0.556 38.685 39.000 0.402 0.000 0.991 122 F HN -0.103 nan 8.300 nan 0.000 0.471 123 L N 0.203 121.590 121.223 0.273 0.000 1.987 123 L HA -0.276 4.069 4.340 0.008 0.000 0.230 123 L C 2.101 178.969 176.870 -0.003 0.000 1.089 123 L CA 1.807 56.610 54.840 -0.061 0.000 0.802 123 L CB -1.002 40.956 42.059 -0.169 0.000 0.905 123 L HN -0.016 nan 8.230 nan 0.000 0.441 124 V N 0.269 120.199 119.914 0.026 0.000 3.444 124 V HA 0.092 4.217 4.120 0.008 0.000 0.271 124 V C 1.495 177.579 176.094 -0.017 0.000 1.188 124 V CA 0.752 63.051 62.300 -0.000 0.000 1.168 124 V CB -1.662 30.161 31.823 -0.000 0.000 0.810 124 V HN 0.792 nan 8.190 nan 0.000 0.500 125 G N 0.915 109.707 108.800 -0.014 0.000 2.371 125 G HA2 -0.276 3.689 3.960 0.008 0.000 0.299 125 G HA3 -0.276 3.689 3.960 0.008 0.000 0.299 125 G C 0.310 175.148 174.900 -0.104 0.000 1.014 125 G CA 0.456 45.516 45.100 -0.065 0.000 1.097 125 G HN 0.532 nan 8.290 nan 0.000 0.512 126 L N -0.232 120.920 121.223 -0.120 0.000 2.791 126 L HA 0.303 4.648 4.340 0.008 0.000 0.239 126 L C 1.441 178.220 176.870 -0.151 0.000 1.203 126 L CA -0.148 54.628 54.840 -0.107 0.000 1.002 126 L CB 0.201 42.207 42.059 -0.089 0.000 1.295 126 L HN 0.461 nan 8.230 nan 0.000 0.504 127 V N -3.486 116.202 119.914 -0.377 0.000 3.234 127 V HA 0.644 4.769 4.120 0.008 0.000 0.317 127 V C -2.410 173.357 176.094 -0.544 0.000 1.081 127 V CA -1.977 59.884 62.300 -0.732 0.000 1.037 127 V CB 0.818 31.890 31.823 -1.252 0.000 1.148 127 V HN -0.019 nan 8.190 nan 0.000 0.453 128 P HA 0.442 nan 4.420 nan 0.000 0.279 128 P C -0.907 176.144 177.300 -0.414 0.000 1.239 128 P CA -0.114 62.650 63.100 -0.561 0.000 0.789 128 P CB 0.446 31.649 31.700 -0.828 0.000 0.933 129 E N 2.530 122.617 120.200 -0.188 0.000 3.568 129 E HA 0.228 4.583 4.350 0.008 0.000 0.213 129 E C -2.135 174.476 176.600 0.018 0.000 1.197 129 E CA -1.526 54.858 56.400 -0.028 0.000 1.126 129 E CB 0.108 29.801 29.700 -0.011 0.000 1.285 129 E HN 0.435 nan 8.360 nan 0.000 0.418 130 P HA -0.002 nan 4.420 nan 0.000 0.269 130 P C -2.334 175.018 177.300 0.087 0.000 1.211 130 P CA -0.655 62.492 63.100 0.079 0.000 0.781 130 P CB -0.051 31.746 31.700 0.163 0.000 0.877 131 P HA 0.325 nan 4.420 nan 0.000 0.289 131 P C -2.599 174.742 177.300 0.068 0.000 1.299 131 P CA -1.686 61.449 63.100 0.058 0.000 0.766 131 P CB -1.000 30.724 31.700 0.040 0.000 1.226 132 P HA 0.293 nan 4.420 nan 0.000 0.287 132 P C -0.602 176.721 177.300 0.038 0.000 1.307 132 P CA 0.118 63.249 63.100 0.051 0.000 0.777 132 P CB 0.143 31.866 31.700 0.040 0.000 0.883 133 N N 2.260 120.984 118.700 0.040 0.000 2.314 133 N HA 0.501 5.246 4.740 0.008 0.000 0.294 133 N C -0.754 174.763 175.510 0.012 0.000 1.029 133 N CA -0.561 52.506 53.050 0.028 0.000 0.845 133 N CB 1.877 40.387 38.487 0.039 0.000 1.321 133 N HN 0.210 nan 8.380 nan 0.000 0.481 134 A N 2.084 124.905 122.820 0.001 0.000 2.793 134 A HA 0.335 4.660 4.320 0.008 0.000 0.301 134 A C 0.803 178.381 177.584 -0.011 0.000 1.172 134 A CA -0.094 51.934 52.037 -0.015 0.000 0.973 134 A CB -0.068 18.919 19.000 -0.021 0.000 1.164 134 A HN 0.680 nan 8.150 nan 0.000 0.542 135 T N -2.483 112.071 114.554 -0.000 0.000 4.643 135 T HA 0.024 4.379 4.350 0.008 0.000 0.307 135 T C -1.052 173.658 174.700 0.018 0.000 0.936 135 T CA 0.593 62.696 62.100 0.005 0.000 0.626 135 T CB -0.212 68.657 68.868 0.003 0.000 0.965 135 T HN 0.191 nan 8.240 nan 0.000 0.670 136 D N 1.332 121.747 120.400 0.025 0.000 2.938 136 D HA 0.422 5.067 4.640 0.008 0.000 0.369 136 D C -1.869 174.465 176.300 0.056 0.000 1.301 136 D CA -1.836 52.187 54.000 0.039 0.000 0.805 136 D CB 1.211 42.033 40.800 0.036 0.000 1.161 136 D HN 0.172 nan 8.370 nan 0.000 0.474 137 P HA -0.152 nan 4.420 nan 0.000 0.217 137 P C 1.119 178.494 177.300 0.125 0.000 1.148 137 P CA 0.904 64.059 63.100 0.091 0.000 0.834 137 P CB 0.411 32.180 31.700 0.115 0.000 0.783 138 D N -0.813 119.650 120.400 0.105 0.000 2.158 138 D HA -0.145 4.500 4.640 0.008 0.000 0.197 138 D C 1.907 178.268 176.300 0.102 0.000 0.995 138 D CA 1.805 55.864 54.000 0.099 0.000 0.846 138 D CB -0.515 40.327 40.800 0.070 0.000 0.941 138 D HN 0.211 nan 8.370 nan 0.000 0.456 139 S N -0.921 114.833 115.700 0.089 0.000 2.515 139 S HA -0.002 4.473 4.470 0.008 0.000 0.231 139 S C 1.997 176.669 174.600 0.119 0.000 0.987 139 S CA 0.242 58.494 58.200 0.086 0.000 0.936 139 S CB -0.227 63.011 63.200 0.064 0.000 0.766 139 S HN 0.296 nan 8.310 nan 0.000 0.528 140 I N 0.073 120.732 120.570 0.149 0.000 3.081 140 I HA 0.141 4.316 4.170 0.008 0.000 0.274 140 I C 2.100 178.403 176.117 0.310 0.000 1.178 140 I CA 0.341 61.767 61.300 0.210 0.000 1.460 140 I CB -0.072 38.025 38.000 0.161 0.000 1.137 140 I HN 0.230 nan 8.210 nan 0.000 0.443 141 L N 0.394 121.761 121.223 0.239 0.000 2.068 141 L HA -0.054 4.291 4.340 0.008 0.000 0.204 141 L C 2.706 179.743 176.870 0.278 0.000 1.076 141 L CA 0.953 55.947 54.840 0.256 0.000 0.753 141 L CB -0.508 41.658 42.059 0.178 0.000 0.910 141 L HN 0.146 nan 8.230 nan 0.000 0.439 142 R N 0.440 121.055 120.500 0.192 0.000 2.162 142 R HA -0.232 4.113 4.340 0.008 0.000 0.245 142 R C -0.439 175.959 176.300 0.164 0.000 1.129 142 R CA 2.505 58.694 56.100 0.148 0.000 0.940 142 R CB -1.321 29.035 30.300 0.092 0.000 0.875 142 R HN 0.210 nan 8.270 nan 0.000 0.437 143 P HA -0.155 nan 4.420 nan 0.000 0.215 143 P C 0.866 178.199 177.300 0.056 0.000 1.157 143 P CA 1.558 64.686 63.100 0.047 0.000 0.874 143 P CB -0.135 31.534 31.700 -0.051 0.000 0.790 144 F N -0.009 120.038 119.950 0.162 0.000 2.186 144 F HA -0.073 4.459 4.527 0.008 0.000 0.299 144 F C 2.483 178.466 175.800 0.305 0.000 1.090 144 F CA 1.323 59.454 58.000 0.218 0.000 1.307 144 F CB -0.670 38.432 39.000 0.170 0.000 1.019 144 F HN -0.176 nan 8.300 nan 0.000 0.489 145 K N 0.821 121.488 120.400 0.444 0.000 2.032 145 K HA -0.235 4.090 4.320 0.008 0.000 0.209 145 K C 1.806 178.729 176.600 0.539 0.000 1.048 145 K CA 2.046 58.611 56.287 0.463 0.000 0.927 145 K CB -0.198 32.516 32.500 0.358 0.000 0.712 145 K HN 0.282 nan 8.250 nan 0.000 0.441 146 E N -0.510 119.888 120.200 0.329 0.000 2.204 146 E HA -0.183 4.172 4.350 0.008 0.000 0.195 146 E C 1.730 178.484 176.600 0.257 0.000 0.990 146 E CA 0.934 57.479 56.400 0.242 0.000 0.821 146 E CB -0.145 29.622 29.700 0.111 0.000 0.750 146 E HN 0.322 nan 8.360 nan 0.000 0.477 147 F N 1.033 121.068 119.950 0.142 0.000 2.146 147 F HA -0.149 4.383 4.527 0.009 0.000 0.298 147 F C 1.998 177.879 175.800 0.134 0.000 1.096 147 F CA 0.875 58.934 58.000 0.099 0.000 1.275 147 F CB -0.016 39.029 39.000 0.075 0.000 1.008 147 F HN 0.015 nan 8.300 nan 0.000 0.480 148 L N -0.423 120.991 121.223 0.318 0.000 2.044 148 L HA -0.158 4.187 4.340 0.008 0.000 0.205 148 L C 2.041 178.829 176.870 -0.137 0.000 1.075 148 L CA 1.870 56.759 54.840 0.081 0.000 0.747 148 L CB -1.398 40.688 42.059 0.045 0.000 0.903 148 L HN 0.195 nan 8.230 nan 0.000 0.435 149 Y N -0.115 120.164 120.300 -0.035 0.000 2.151 149 Y HA -0.248 4.307 4.550 0.008 0.000 0.284 149 Y C 2.774 178.603 175.900 -0.118 0.000 1.166 149 Y CA 1.921 59.976 58.100 -0.075 0.000 1.163 149 Y CB -0.862 37.583 38.460 -0.026 0.000 0.974 149 Y HN 0.220 nan 8.280 nan 0.000 0.511 150 S N -1.381 114.333 115.700 0.024 0.000 2.423 150 S HA -0.192 4.283 4.470 0.008 0.000 0.231 150 S C 1.674 176.163 174.600 -0.185 0.000 1.014 150 S CA 0.931 59.078 58.200 -0.088 0.000 0.965 150 S CB -0.484 62.646 63.200 -0.117 0.000 0.785 150 S HN 0.531 nan 8.310 nan 0.000 0.495 151 Y N 2.363 122.426 120.300 -0.394 0.000 2.243 151 Y HA 0.058 4.613 4.550 0.009 0.000 0.293 151 Y C 1.843 177.484 175.900 -0.432 0.000 1.124 151 Y CA 1.380 59.188 58.100 -0.487 0.000 1.159 151 Y CB -0.029 38.016 38.460 -0.692 0.000 1.008 151 Y HN 0.319 nan 8.280 nan 0.000 0.527 152 I N -3.440 116.935 120.570 -0.324 0.000 3.860 152 I HA 0.424 4.599 4.170 0.008 0.000 0.319 152 I C 1.289 177.272 176.117 -0.223 0.000 1.279 152 I CA 0.682 61.772 61.300 -0.349 0.000 1.220 152 I CB -0.174 37.511 38.000 -0.524 0.000 1.027 152 I HN 0.226 nan 8.210 nan 0.000 0.428 153 G N 2.503 111.202 108.800 -0.169 0.000 2.248 153 G HA2 -0.200 3.765 3.960 0.008 0.000 0.263 153 G HA3 -0.200 3.765 3.960 0.008 0.000 0.263 153 G C 0.046 174.923 174.900 -0.038 0.000 1.082 153 G CA 0.135 45.175 45.100 -0.099 0.000 0.863 153 G HN 0.269 nan 8.290 nan 0.000 0.495 154 V N 1.401 121.325 119.914 0.016 0.000 2.509 154 V HA 0.145 4.270 4.120 0.008 0.000 0.297 154 V C -0.946 175.202 176.094 0.091 0.000 1.014 154 V CA -0.312 62.050 62.300 0.103 0.000 1.127 154 V CB 0.631 32.673 31.823 0.366 0.000 0.925 154 V HN 0.345 nan 8.190 nan 0.000 0.480 155 P HA 0.002 nan 4.420 nan 0.000 0.258 155 P C 0.444 177.760 177.300 0.027 0.000 1.172 155 P CA 0.384 63.506 63.100 0.037 0.000 0.762 155 P CB 0.234 31.952 31.700 0.031 0.000 0.764 156 K N 2.038 122.442 120.400 0.008 0.000 2.334 156 K HA 0.114 4.439 4.320 0.008 0.000 0.195 156 K C 1.590 178.182 176.600 -0.013 0.000 1.045 156 K CA 0.602 56.879 56.287 -0.016 0.000 1.004 156 K CB 0.181 32.666 32.500 -0.024 0.000 0.837 156 K HN 0.503 nan 8.250 nan 0.000 0.510 157 G N 2.213 111.014 108.800 0.001 0.000 2.593 157 G HA2 -0.037 3.928 3.960 0.008 0.000 0.212 157 G HA3 -0.037 3.928 3.960 0.008 0.000 0.212 157 G C 0.437 175.340 174.900 0.006 0.000 1.934 157 G CA 0.557 45.659 45.100 0.005 0.000 0.861 157 G HN 0.220 nan 8.290 nan 0.000 0.629 158 D N -0.536 119.874 120.400 0.018 0.000 2.690 158 D HA 0.031 4.676 4.640 0.008 0.000 0.235 158 D C 0.251 176.568 176.300 0.028 0.000 1.327 158 D CA -0.127 53.880 54.000 0.013 0.000 1.264 158 D CB -0.639 40.171 40.800 0.017 0.000 1.574 158 D HN 0.485 nan 8.370 nan 0.000 0.421 159 E N 4.030 124.268 120.200 0.063 0.000 3.131 159 E HA -0.016 4.339 4.350 0.008 0.000 0.258 159 E C -1.966 174.677 176.600 0.072 0.000 0.901 159 E CA -0.240 56.219 56.400 0.098 0.000 0.964 159 E CB -0.261 29.498 29.700 0.098 0.000 0.903 159 E HN 0.198 nan 8.360 nan 0.000 0.537 160 P HA 0.072 nan 4.420 nan 0.000 0.235 160 P C -0.771 176.551 177.300 0.037 0.000 1.720 160 P CA 0.401 63.531 63.100 0.049 0.000 1.003 160 P CB -0.164 31.595 31.700 0.099 0.000 1.968 161 I N 1.951 122.550 120.570 0.049 0.000 2.447 161 I HA 0.308 4.483 4.170 0.008 0.000 0.287 161 I C 0.540 176.690 176.117 0.055 0.000 1.023 161 I CA -1.212 60.127 61.300 0.066 0.000 1.083 161 I CB 1.851 39.899 38.000 0.080 0.000 1.245 161 I HN -0.030 nan 8.210 nan 0.000 0.434 162 L N 4.903 126.154 121.223 0.047 0.000 2.454 162 L HA 0.492 4.837 4.340 0.008 0.000 0.256 162 L C 0.186 177.038 176.870 -0.030 0.000 1.136 162 L CA -0.696 54.131 54.840 -0.022 0.000 0.804 162 L CB 0.682 42.685 42.059 -0.093 0.000 1.181 162 L HN 0.460 nan 8.230 nan 0.000 0.469 163 K N 1.728 122.064 120.400 -0.107 0.000 2.950 163 K HA 0.363 4.688 4.320 0.008 0.000 0.199 163 K C -2.689 173.799 176.600 -0.187 0.000 1.144 163 K CA -1.414 54.816 56.287 -0.096 0.000 0.983 163 K CB 0.874 33.363 32.500 -0.019 0.000 1.187 163 K HN 0.018 nan 8.250 nan 0.000 0.595 164 P HA -0.015 nan 4.420 nan 0.000 0.268 164 P C -0.504 176.663 177.300 -0.221 0.000 1.208 164 P CA -0.039 62.882 63.100 -0.298 0.000 0.777 164 P CB 0.732 32.230 31.700 -0.336 0.000 0.875 165 S N 2.041 117.572 115.700 -0.281 0.000 2.593 165 S HA 0.073 4.548 4.470 0.008 0.000 0.269 165 S C 1.116 175.647 174.600 -0.116 0.000 1.334 165 S CA -0.551 57.526 58.200 -0.206 0.000 1.015 165 S CB 0.127 63.166 63.200 -0.268 0.000 0.912 165 S HN 0.360 nan 8.310 nan 0.000 0.541 166 L N 1.109 122.309 121.223 -0.038 0.000 2.079 166 L HA 0.031 4.376 4.340 0.008 0.000 0.210 166 L C 1.923 178.842 176.870 0.081 0.000 1.081 166 L CA 1.765 56.626 54.840 0.035 0.000 0.752 166 L CB -1.248 40.834 42.059 0.038 0.000 0.896 166 L HN 0.845 nan 8.230 nan 0.000 0.433 167 F N 0.140 120.024 119.950 -0.110 0.000 2.146 167 F HA -0.087 4.446 4.527 0.009 0.000 0.298 167 F C 2.277 177.976 175.800 -0.169 0.000 1.096 167 F CA 1.334 59.270 58.000 -0.107 0.000 1.275 167 F CB -0.650 38.277 39.000 -0.122 0.000 1.008 167 F HN 0.142 nan 8.300 nan 0.000 0.480 168 A N -0.402 122.133 122.820 -0.475 0.000 1.877 168 A HA -0.268 4.057 4.320 0.008 0.000 0.216 168 A C 2.162 179.641 177.584 -0.175 0.000 1.186 168 A CA 1.825 53.441 52.037 -0.701 0.000 0.620 168 A CB -1.756 16.596 19.000 -1.080 0.000 0.822 168 A HN 0.590 nan 8.150 nan 0.000 0.443 169 Y N 0.220 120.424 120.300 -0.159 0.000 2.145 169 Y HA -0.192 4.362 4.550 0.007 0.000 0.286 169 Y C 2.107 178.071 175.900 0.106 0.000 1.145 169 Y CA 1.968 60.080 58.100 0.021 0.000 1.148 169 Y CB -0.220 38.253 38.460 0.021 0.000 0.981 169 Y HN 0.269 nan 8.280 nan 0.000 0.507 170 I N -1.268 119.391 120.570 0.148 0.000 2.286 170 I HA -0.293 3.882 4.170 0.008 0.000 0.248 170 I C 2.149 178.225 176.117 -0.068 0.000 1.115 170 I CA 1.047 62.382 61.300 0.059 0.000 1.392 170 I CB -0.381 37.648 38.000 0.048 0.000 1.065 170 I HN 0.070 nan 8.210 nan 0.000 0.418 171 V N 0.445 120.241 119.914 -0.197 0.000 2.515 171 V HA -0.284 3.841 4.120 0.008 0.000 0.250 171 V C 2.207 178.317 176.094 0.025 0.000 1.058 171 V CA 1.607 63.794 62.300 -0.188 0.000 1.064 171 V CB -0.663 30.936 31.823 -0.373 0.000 0.675 171 V HN 0.379 nan 8.190 nan 0.000 0.461 172 F N 0.343 120.254 119.950 -0.065 0.000 2.134 172 F HA -0.161 4.371 4.527 0.008 0.000 0.299 172 F C 1.968 177.779 175.800 0.018 0.000 1.097 172 F CA 1.511 59.520 58.000 0.016 0.000 1.264 172 F CB -0.364 38.624 39.000 -0.019 0.000 1.001 172 F HN 0.050 nan 8.300 nan 0.000 0.479 173 L N -0.028 121.116 121.223 -0.132 0.000 1.989 173 L HA -0.270 4.075 4.340 0.008 0.000 0.211 173 L C 2.510 179.293 176.870 -0.144 0.000 1.071 173 L CA 1.716 56.429 54.840 -0.211 0.000 0.749 173 L CB -0.642 41.346 42.059 -0.118 0.000 0.890 173 L HN 0.136 nan 8.230 nan 0.000 0.431 174 I N -0.974 119.551 120.570 -0.075 0.000 2.151 174 I HA -0.360 3.815 4.170 0.008 0.000 0.243 174 I C 2.426 178.584 176.117 0.068 0.000 1.080 174 I CA 1.869 63.166 61.300 -0.004 0.000 1.339 174 I CB -0.807 37.177 38.000 -0.027 0.000 1.039 174 I HN 0.313 nan 8.210 nan 0.000 0.409 175 T N 0.782 115.353 114.554 0.029 0.000 2.720 175 T HA -0.178 4.177 4.350 0.008 0.000 0.268 175 T C 1.958 176.652 174.700 -0.010 0.000 1.037 175 T CA 1.298 63.450 62.100 0.087 0.000 1.144 175 T CB -0.145 68.815 68.868 0.153 0.000 0.864 175 T HN 0.171 nan 8.240 nan 0.000 0.444 176 M N 0.375 119.872 119.600 -0.172 0.000 2.117 176 M HA 0.029 4.514 4.480 0.008 0.000 0.262 176 M C 2.120 178.365 176.300 -0.091 0.000 1.065 176 M CA 1.291 56.474 55.300 -0.195 0.000 1.114 176 M CB -1.190 31.195 32.600 -0.358 0.000 1.361 176 M HN 0.294 nan 8.290 nan 0.000 0.408 177 F N 1.229 121.071 119.950 -0.180 0.000 2.134 177 F HA -0.189 4.342 4.527 0.007 0.000 0.299 177 F C 2.118 177.861 175.800 -0.095 0.000 1.097 177 F CA 1.482 59.401 58.000 -0.136 0.000 1.264 177 F CB -0.314 38.614 39.000 -0.121 0.000 1.001 177 F HN 0.013 nan 8.300 nan 0.000 0.479 178 I N 0.440 120.991 120.570 -0.032 0.000 2.226 178 I HA -0.343 3.832 4.170 0.008 0.000 0.245 178 I C 2.215 178.190 176.117 -0.237 0.000 1.100 178 I CA 1.404 62.633 61.300 -0.118 0.000 1.374 178 I CB -0.727 37.317 38.000 0.074 0.000 1.057 178 I HN 0.259 nan 8.210 nan 0.000 0.413 179 N N 0.617 119.211 118.700 -0.177 0.000 2.120 179 N HA -0.144 4.601 4.740 0.008 0.000 0.188 179 N C 1.972 177.358 175.510 -0.207 0.000 1.024 179 N CA 1.394 54.337 53.050 -0.178 0.000 0.852 179 N CB -0.094 38.331 38.487 -0.102 0.000 1.003 179 N HN 0.174 nan 8.380 nan 0.000 0.424 180 V N 1.711 121.481 119.914 -0.241 0.000 2.295 180 V HA -0.216 3.909 4.120 0.008 0.000 0.246 180 V C 2.648 178.550 176.094 -0.319 0.000 1.049 180 V CA 2.009 64.158 62.300 -0.251 0.000 1.024 180 V CB -0.774 30.894 31.823 -0.257 0.000 0.648 180 V HN 0.435 nan 8.190 nan 0.000 0.447 181 S N 0.048 115.453 115.700 -0.492 0.000 2.383 181 S HA -0.182 4.293 4.470 0.008 0.000 0.229 181 S C 1.920 176.360 174.600 -0.267 0.000 1.030 181 S CA 1.815 59.746 58.200 -0.448 0.000 1.002 181 S CB -0.629 62.221 63.200 -0.583 0.000 0.829 181 S HN 0.544 nan 8.310 nan 0.000 0.467 182 I N 1.213 121.624 120.570 -0.266 0.000 2.162 182 I HA -0.082 4.093 4.170 0.008 0.000 0.238 182 I C 2.508 178.538 176.117 -0.145 0.000 1.076 182 I CA 1.143 62.316 61.300 -0.213 0.000 1.353 182 I CB -0.419 37.393 38.000 -0.312 0.000 1.063 182 I HN 0.248 nan 8.210 nan 0.000 0.408 183 L N 0.389 121.525 121.223 -0.145 0.000 2.127 183 L HA -0.212 4.133 4.340 0.008 0.000 0.211 183 L C 2.423 179.230 176.870 -0.106 0.000 1.089 183 L CA 1.276 56.051 54.840 -0.108 0.000 0.757 183 L CB -0.335 41.668 42.059 -0.093 0.000 0.899 183 L HN 0.286 nan 8.230 nan 0.000 0.434 184 I N -0.175 120.322 120.570 -0.121 0.000 3.241 184 I HA -0.183 3.992 4.170 0.008 0.000 0.280 184 I C 1.923 177.981 176.117 -0.097 0.000 1.320 184 I CA 0.693 61.928 61.300 -0.109 0.000 1.413 184 I CB -0.178 37.747 38.000 -0.125 0.000 1.060 184 I HN 0.260 nan 8.210 nan 0.000 0.500 185 R N 0.297 120.740 120.500 -0.094 0.000 2.335 185 R HA 0.316 4.661 4.340 0.008 0.000 0.210 185 R C 0.903 177.151 176.300 -0.086 0.000 0.892 185 R CA 0.558 56.612 56.100 -0.077 0.000 1.048 185 R CB 0.630 30.896 30.300 -0.057 0.000 1.067 185 R HN 0.394 nan 8.270 nan 0.000 0.524 186 G N 1.294 110.029 108.800 -0.109 0.000 2.582 186 G HA2 -0.217 3.748 3.960 0.008 0.000 0.222 186 G HA3 -0.217 3.748 3.960 0.008 0.000 0.222 186 G C 0.409 175.181 174.900 -0.213 0.000 1.311 186 G CA -0.543 44.461 45.100 -0.161 0.000 0.915 186 G HN -0.076 nan 8.290 nan 0.000 0.528 187 I N 1.291 121.628 120.570 -0.388 0.000 2.110 187 I HA -0.100 4.075 4.170 0.008 0.000 0.236 187 I C 3.238 179.219 176.117 -0.227 0.000 1.068 187 I CA 3.011 63.977 61.300 -0.557 0.000 1.333 187 I CB -1.887 35.376 38.000 -1.228 0.000 1.054 187 I HN 0.920 nan 8.210 nan 0.000 0.402 188 S N 1.361 116.954 115.700 -0.179 0.000 2.329 188 S HA -0.122 4.353 4.470 0.008 0.000 0.215 188 S C 1.817 176.434 174.600 0.028 0.000 1.031 188 S CA 0.661 58.862 58.200 0.002 0.000 0.985 188 S CB -0.690 62.512 63.200 0.003 0.000 0.917 188 S HN 0.346 nan 8.310 nan 0.000 0.441 189 K N 1.584 121.977 120.400 -0.011 0.000 2.574 189 K HA 0.150 4.475 4.320 0.008 0.000 0.193 189 K C 1.425 178.034 176.600 0.014 0.000 1.035 189 K CA 0.575 56.864 56.287 0.005 0.000 0.982 189 K CB -0.124 32.368 32.500 -0.014 0.000 0.795 189 K HN 0.611 nan 8.250 nan 0.000 0.491 190 G N 0.391 109.200 108.800 0.015 0.000 2.467 190 G HA2 0.031 3.996 3.960 0.008 0.000 0.178 190 G HA3 0.031 3.996 3.960 0.008 0.000 0.178 190 G C 1.124 176.083 174.900 0.098 0.000 1.461 190 G CA -0.366 44.749 45.100 0.025 0.000 0.675 190 G HN 0.013 nan 8.290 nan 0.000 0.659 191 I N 1.078 121.707 120.570 0.098 0.000 2.286 191 I HA -0.104 4.071 4.170 0.008 0.000 0.248 191 I C 2.602 178.892 176.117 0.288 0.000 1.115 191 I CA 1.508 62.939 61.300 0.219 0.000 1.392 191 I CB -0.027 38.145 38.000 0.286 0.000 1.065 191 I HN 0.350 nan 8.210 nan 0.000 0.418 192 E N 0.998 121.364 120.200 0.277 0.000 2.033 192 E HA -0.199 4.156 4.350 0.008 0.000 0.189 192 E C 2.425 179.112 176.600 0.145 0.000 0.979 192 E CA 0.561 57.118 56.400 0.261 0.000 0.802 192 E CB 0.045 29.939 29.700 0.323 0.000 0.763 192 E HN 0.225 nan 8.360 nan 0.000 0.449 193 R N -0.250 120.330 120.500 0.133 0.000 2.103 193 R HA -0.197 4.148 4.340 0.008 0.000 0.242 193 R C 2.287 178.655 176.300 0.113 0.000 1.142 193 R CA 1.700 57.862 56.100 0.103 0.000 0.960 193 R CB -0.396 29.965 30.300 0.102 0.000 0.858 193 R HN 0.230 nan 8.270 nan 0.000 0.439 194 F N 0.749 120.710 119.950 0.017 0.000 2.186 194 F HA -0.065 4.468 4.527 0.010 0.000 0.299 194 F C 2.133 177.900 175.800 -0.055 0.000 1.090 194 F CA 1.166 59.163 58.000 -0.004 0.000 1.307 194 F CB -0.420 38.590 39.000 0.018 0.000 1.019 194 F HN 0.061 nan 8.300 nan 0.000 0.489 195 A N 0.448 123.221 122.820 -0.079 0.000 1.883 195 A HA -0.231 4.094 4.320 0.008 0.000 0.217 195 A C 2.266 179.693 177.584 -0.262 0.000 1.186 195 A CA 1.916 53.831 52.037 -0.203 0.000 0.624 195 A CB -0.741 18.201 19.000 -0.096 0.000 0.822 195 A HN 0.432 nan 8.150 nan 0.000 0.444 196 K N -0.741 119.559 120.400 -0.168 0.000 2.211 196 K HA -0.072 4.253 4.320 0.008 0.000 0.204 196 K C 1.665 178.146 176.600 -0.198 0.000 1.047 196 K CA 1.464 57.662 56.287 -0.149 0.000 0.935 196 K CB -0.291 32.163 32.500 -0.077 0.000 0.728 196 K HN 0.587 nan 8.250 nan 0.000 0.452 197 I N -0.085 120.316 120.570 -0.280 0.000 2.494 197 I HA -0.116 4.059 4.170 0.008 0.000 0.250 197 I C 2.346 178.147 176.117 -0.527 0.000 1.112 197 I CA 0.539 61.650 61.300 -0.316 0.000 1.438 197 I CB -0.084 37.760 38.000 -0.259 0.000 1.111 197 I HN 0.062 nan 8.210 nan 0.000 0.431 198 A N 0.701 123.007 122.820 -0.858 0.000 1.898 198 A HA -0.092 4.234 4.320 0.008 0.000 0.214 198 A C 2.307 179.507 177.584 -0.639 0.000 1.183 198 A CA 0.999 52.333 52.037 -1.172 0.000 0.622 198 A CB -0.268 17.768 19.000 -1.606 0.000 0.824 198 A HN 0.182 nan 8.150 nan 0.000 0.444 199 M N -0.412 118.941 119.600 -0.411 0.000 2.099 199 M HA -0.045 4.440 4.480 0.008 0.000 0.262 199 M C -0.364 175.868 176.300 -0.114 0.000 1.067 199 M CA 1.466 56.638 55.300 -0.213 0.000 1.124 199 M CB -2.465 30.033 32.600 -0.171 0.000 1.353 199 M HN 0.116 nan 8.290 nan 0.000 0.410 200 P HA -0.102 nan 4.420 nan 0.000 0.214 200 P C 1.580 178.899 177.300 0.031 0.000 1.163 200 P CA 1.646 64.708 63.100 -0.063 0.000 0.883 200 P CB -0.356 31.281 31.700 -0.105 0.000 0.788 201 T N 0.265 114.776 114.554 -0.071 0.000 2.624 201 T HA -0.216 4.139 4.350 0.008 0.000 0.268 201 T C 1.760 176.499 174.700 0.066 0.000 1.041 201 T CA 1.302 63.397 62.100 -0.008 0.000 1.159 201 T CB -1.128 67.674 68.868 -0.111 0.000 0.863 201 T HN 0.061 nan 8.240 nan 0.000 0.434 202 L N -0.058 121.161 121.223 -0.008 0.000 2.042 202 L HA -0.084 4.261 4.340 0.008 0.000 0.210 202 L C 2.244 179.175 176.870 0.101 0.000 1.076 202 L CA 1.565 56.426 54.840 0.037 0.000 0.749 202 L CB -0.366 41.680 42.059 -0.021 0.000 0.893 202 L HN 0.277 nan 8.230 nan 0.000 0.432 203 F N 0.526 120.476 119.950 -0.000 0.000 2.075 203 F HA -0.275 4.257 4.527 0.008 0.000 0.297 203 F C 2.100 177.936 175.800 0.060 0.000 1.113 203 F CA 2.068 60.089 58.000 0.035 0.000 1.218 203 F CB -0.242 38.761 39.000 0.004 0.000 0.984 203 F HN -0.021 nan 8.300 nan 0.000 0.472 204 I N 0.267 120.965 120.570 0.213 0.000 2.179 204 I HA -0.334 3.841 4.170 0.008 0.000 0.242 204 I C 2.400 178.539 176.117 0.036 0.000 1.088 204 I CA 1.419 62.784 61.300 0.107 0.000 1.357 204 I CB -0.657 37.465 38.000 0.204 0.000 1.051 204 I HN 0.214 nan 8.210 nan 0.000 0.409 205 L N 0.523 121.781 121.223 0.059 0.000 2.013 205 L HA -0.279 4.066 4.340 0.008 0.000 0.212 205 L C 2.862 179.774 176.870 0.070 0.000 1.073 205 L CA 1.664 56.541 54.840 0.061 0.000 0.753 205 L CB -0.859 41.234 42.059 0.056 0.000 0.890 205 L HN 0.281 nan 8.230 nan 0.000 0.432 206 A N -0.393 122.424 122.820 -0.006 0.000 1.865 206 A HA -0.174 4.151 4.320 0.008 0.000 0.217 206 A C 2.353 179.921 177.584 -0.027 0.000 1.191 206 A CA 2.060 54.104 52.037 0.011 0.000 0.623 206 A CB -0.999 18.031 19.000 0.050 0.000 0.826 206 A HN 0.176 nan 8.150 nan 0.000 0.444 207 V N -1.065 118.717 119.914 -0.221 0.000 2.233 207 V HA -0.280 3.845 4.120 0.008 0.000 0.247 207 V C 2.261 178.327 176.094 -0.046 0.000 1.050 207 V CA 2.333 64.497 62.300 -0.227 0.000 1.010 207 V CB -1.048 30.505 31.823 -0.449 0.000 0.637 207 V HN 0.623 nan 8.190 nan 0.000 0.444 208 F N 0.312 120.203 119.950 -0.099 0.000 2.045 208 F HA -0.307 4.225 4.527 0.008 0.000 0.297 208 F C 2.158 177.951 175.800 -0.011 0.000 1.114 208 F CA 2.165 60.148 58.000 -0.028 0.000 1.207 208 F CB -0.424 38.580 39.000 0.007 0.000 0.964 208 F HN 0.022 nan 8.300 nan 0.000 0.486 209 L N -0.707 120.602 121.223 0.144 0.000 2.042 209 L HA -0.258 4.087 4.340 0.008 0.000 0.210 209 L C 2.396 179.250 176.870 -0.025 0.000 1.076 209 L CA 1.182 56.042 54.840 0.034 0.000 0.749 209 L CB -0.821 41.317 42.059 0.131 0.000 0.893 209 L HN 0.101 nan 8.230 nan 0.000 0.432 210 V N 0.250 120.167 119.914 0.005 0.000 2.255 210 V HA -0.345 3.780 4.120 0.008 0.000 0.247 210 V C 2.316 178.402 176.094 -0.013 0.000 1.051 210 V CA 2.137 64.445 62.300 0.013 0.000 1.018 210 V CB -0.302 31.517 31.823 -0.008 0.000 0.641 210 V HN 0.300 nan 8.190 nan 0.000 0.445 211 I N -0.412 120.102 120.570 -0.094 0.000 2.127 211 I HA -0.286 3.889 4.170 0.008 0.000 0.241 211 I C 2.724 178.791 176.117 -0.085 0.000 1.075 211 I CA 1.948 63.186 61.300 -0.103 0.000 1.334 211 I CB -0.337 37.562 38.000 -0.169 0.000 1.040 211 I HN 0.233 nan 8.210 nan 0.000 0.405 212 R N 0.650 120.994 120.500 -0.261 0.000 2.115 212 R HA -0.094 4.251 4.340 0.008 0.000 0.230 212 R C 1.949 178.208 176.300 -0.067 0.000 1.111 212 R CA 1.390 57.337 56.100 -0.255 0.000 0.976 212 R CB -0.705 29.296 30.300 -0.500 0.000 0.870 212 R HN 0.173 nan 8.270 nan 0.000 0.445 213 V N 0.480 120.388 119.914 -0.010 0.000 2.548 213 V HA -0.142 3.983 4.120 0.008 0.000 0.249 213 V C 1.876 178.026 176.094 0.094 0.000 1.055 213 V CA 1.592 63.930 62.300 0.063 0.000 1.065 213 V CB -0.658 31.207 31.823 0.070 0.000 0.681 213 V HN 0.294 nan 8.190 nan 0.000 0.462 214 F N 0.663 120.593 119.950 -0.033 0.000 2.126 214 F HA -0.186 4.346 4.527 0.008 0.000 0.299 214 F C 1.872 177.659 175.800 -0.020 0.000 1.096 214 F CA 1.656 59.642 58.000 -0.023 0.000 1.255 214 F CB -0.166 38.812 39.000 -0.037 0.000 0.997 214 F HN 0.073 nan 8.300 nan 0.000 0.479 215 L N 0.237 121.469 121.223 0.016 0.000 2.622 215 L HA -0.049 4.296 4.340 0.008 0.000 0.233 215 L C 0.647 177.465 176.870 -0.088 0.000 1.156 215 L CA -0.104 54.698 54.840 -0.064 0.000 0.866 215 L CB -0.734 41.326 42.059 0.003 0.000 0.980 215 L HN 0.006 nan 8.230 nan 0.000 0.448 216 L N 1.212 122.399 121.223 -0.060 0.000 2.490 216 L HA 0.065 4.410 4.340 0.008 0.000 0.274 216 L C 0.263 177.074 176.870 -0.098 0.000 1.201 216 L CA 0.673 55.505 54.840 -0.015 0.000 0.869 216 L CB 0.516 42.627 42.059 0.086 0.000 1.123 216 L HN 0.196 nan 8.230 nan 0.000 0.484 217 E N 2.082 122.207 120.200 -0.125 0.000 2.347 217 E HA 0.364 4.719 4.350 0.008 0.000 0.285 217 E C -1.233 175.205 176.600 -0.271 0.000 0.925 217 E CA -0.492 55.799 56.400 -0.183 0.000 0.779 217 E CB 1.888 31.495 29.700 -0.153 0.000 1.233 217 E HN 0.643 nan 8.360 nan 0.000 0.414 218 T N 0.273 114.628 114.554 -0.333 0.000 2.831 218 T HA 0.520 4.875 4.350 0.008 0.000 0.287 218 T C -2.160 172.380 174.700 -0.267 0.000 1.070 218 T CA -1.489 60.369 62.100 -0.404 0.000 1.010 218 T CB 1.268 69.700 68.868 -0.728 0.000 1.264 218 T HN 0.193 nan 8.240 nan 0.000 0.532 219 P HA 0.066 nan 4.420 nan 0.000 0.221 219 P C 0.905 178.114 177.300 -0.151 0.000 1.145 219 P CA 0.737 63.738 63.100 -0.165 0.000 0.795 219 P CB 0.014 31.626 31.700 -0.146 0.000 0.775 220 N N -1.233 117.353 118.700 -0.189 0.000 2.325 220 N HA 0.167 4.912 4.740 0.008 0.000 0.182 220 N C 1.070 176.512 175.510 -0.114 0.000 1.088 220 N CA 0.841 53.805 53.050 -0.142 0.000 0.879 220 N CB 0.836 39.227 38.487 -0.159 0.000 0.983 220 N HN 0.156 nan 8.380 nan 0.000 0.471 221 G N -0.669 108.050 108.800 -0.135 0.000 2.333 221 G HA2 0.278 4.243 3.960 0.008 0.000 0.288 221 G HA3 0.278 4.243 3.960 0.008 0.000 0.288 221 G C -1.534 173.294 174.900 -0.120 0.000 1.286 221 G CA -0.298 44.741 45.100 -0.102 0.000 0.865 221 G HN 0.127 nan 8.290 nan 0.000 0.506 222 T N -3.047 111.449 114.554 -0.097 0.000 2.896 222 T HA 0.729 5.084 4.350 0.008 0.000 0.297 222 T C 1.393 176.034 174.700 -0.098 0.000 1.108 222 T CA 0.661 62.688 62.100 -0.121 0.000 1.004 222 T CB 1.604 70.383 68.868 -0.148 0.000 1.159 222 T HN 2.034 nan 8.240 nan 0.000 0.499 223 A N 1.442 124.187 122.820 -0.124 0.000 1.948 223 A HA 0.150 4.475 4.320 0.008 0.000 0.220 223 A C 2.595 180.144 177.584 -0.060 0.000 1.177 223 A CA 2.342 54.332 52.037 -0.077 0.000 0.636 223 A CB -1.556 17.388 19.000 -0.094 0.000 0.815 223 A HN 1.488 nan 8.150 nan 0.000 0.449 224 A N 0.366 123.076 122.820 -0.183 0.000 1.927 224 A HA -0.284 4.041 4.320 0.008 0.000 0.220 224 A C 1.709 179.319 177.584 0.042 0.000 1.185 224 A CA 2.145 54.139 52.037 -0.071 0.000 0.639 224 A CB -0.759 18.154 19.000 -0.145 0.000 0.820 224 A HN 0.513 nan 8.150 nan 0.000 0.451 225 D N -0.494 119.913 120.400 0.012 0.000 2.178 225 D HA -0.074 4.571 4.640 0.008 0.000 0.201 225 D C 1.997 178.361 176.300 0.107 0.000 0.980 225 D CA 1.374 55.404 54.000 0.051 0.000 0.842 225 D CB -0.737 40.069 40.800 0.009 0.000 0.948 225 D HN 0.477 nan 8.370 nan 0.000 0.472 226 G N 0.734 109.587 108.800 0.089 0.000 2.404 226 G HA2 -0.159 3.806 3.960 0.008 0.000 0.215 226 G HA3 -0.159 3.806 3.960 0.008 0.000 0.215 226 G C 1.770 176.826 174.900 0.260 0.000 1.174 226 G CA 0.161 45.338 45.100 0.128 0.000 0.780 226 G HN 0.243 nan 8.290 nan 0.000 0.537 227 L N 0.516 121.897 121.223 0.263 0.000 2.042 227 L HA -0.124 4.221 4.340 0.008 0.000 0.210 227 L C 2.789 179.906 176.870 0.411 0.000 1.076 227 L CA 0.925 55.996 54.840 0.385 0.000 0.749 227 L CB -0.503 41.746 42.059 0.317 0.000 0.893 227 L HN 0.135 nan 8.230 nan 0.000 0.432 228 N N 0.201 119.068 118.700 0.279 0.000 2.069 228 N HA -0.255 4.491 4.740 0.008 0.000 0.191 228 N C 1.744 177.388 175.510 0.222 0.000 1.031 228 N CA 1.601 54.791 53.050 0.232 0.000 0.852 228 N CB -0.516 38.071 38.487 0.167 0.000 1.018 228 N HN 0.278 nan 8.380 nan 0.000 0.423 229 F N 1.053 121.046 119.950 0.072 0.000 2.161 229 F HA -0.143 4.389 4.527 0.008 0.000 0.300 229 F C 1.933 177.715 175.800 -0.030 0.000 1.089 229 F CA 0.903 58.911 58.000 0.014 0.000 1.282 229 F CB -0.163 38.834 39.000 -0.006 0.000 1.010 229 F HN -0.064 nan 8.300 nan 0.000 0.485 230 L N -1.036 120.208 121.223 0.036 0.000 2.044 230 L HA -0.115 4.230 4.340 0.008 0.000 0.205 230 L C 1.322 177.933 176.870 -0.433 0.000 1.075 230 L CA 1.756 56.433 54.840 -0.272 0.000 0.747 230 L CB -1.267 40.686 42.059 -0.176 0.000 0.903 230 L HN 0.279 nan 8.230 nan 0.000 0.435 231 W N -1.704 119.574 121.300 -0.036 0.000 3.239 231 W HA 0.243 4.908 4.660 0.008 0.000 0.348 231 W C 0.421 176.912 176.519 -0.046 0.000 1.183 231 W CA -0.174 57.154 57.345 -0.029 0.000 1.819 231 W CB -0.127 29.342 29.460 0.016 0.000 1.091 231 W HN -0.201 nan 8.180 nan 0.000 0.629 232 T N 2.579 117.171 114.554 0.063 0.000 2.781 232 T HA 0.255 4.610 4.350 0.008 0.000 0.305 232 T C -2.195 172.443 174.700 -0.103 0.000 1.001 232 T CA -1.453 60.659 62.100 0.020 0.000 0.950 232 T CB 0.976 69.867 68.868 0.038 0.000 0.955 232 T HN -0.421 nan 8.240 nan 0.000 0.471 233 P HA 0.205 nan 4.420 nan 0.000 0.270 233 P C -0.468 176.639 177.300 -0.322 0.000 1.227 233 P CA -0.205 62.678 63.100 -0.361 0.000 0.788 233 P CB 0.484 31.823 31.700 -0.601 0.000 0.926 234 D N 0.662 120.811 120.400 -0.418 0.000 2.429 234 D HA 0.165 4.810 4.640 0.008 0.000 0.255 234 D C -0.014 176.186 176.300 -0.168 0.000 1.257 234 D CA -0.384 53.499 54.000 -0.196 0.000 0.890 234 D CB -0.342 40.372 40.800 -0.143 0.000 1.267 234 D HN 0.077 nan 8.370 nan 0.000 0.521 235 F N 0.918 120.874 119.950 0.009 0.000 2.664 235 F HA -0.014 4.518 4.527 0.009 0.000 0.297 235 F C 1.862 177.687 175.800 0.042 0.000 1.164 235 F CA 0.534 58.553 58.000 0.031 0.000 1.472 235 F CB 0.060 39.083 39.000 0.038 0.000 1.108 235 F HN 0.268 nan 8.300 nan 0.000 0.596 236 E N 1.285 121.581 120.200 0.160 0.000 1.983 236 E HA -0.115 4.240 4.350 0.008 0.000 0.202 236 E C 0.755 177.411 176.600 0.094 0.000 0.944 236 E CA 0.318 56.786 56.400 0.114 0.000 0.903 236 E CB -0.324 29.422 29.700 0.077 0.000 0.843 236 E HN 0.281 nan 8.360 nan 0.000 0.542 237 K N 1.228 121.661 120.400 0.055 0.000 2.530 237 K HA 0.045 4.370 4.320 0.008 0.000 0.280 237 K C 0.057 176.686 176.600 0.048 0.000 1.004 237 K CA 0.288 56.604 56.287 0.049 0.000 1.071 237 K CB 1.072 33.578 32.500 0.010 0.000 0.876 237 K HN 0.338 nan 8.250 nan 0.000 0.487 238 L N 0.858 122.154 121.223 0.122 0.000 1.107 238 L HA -0.072 4.273 4.340 0.008 0.000 0.500 238 L C -0.415 176.702 176.870 0.413 0.000 0.792 238 L CA 0.919 55.892 54.840 0.222 0.000 1.958 238 L CB -0.864 41.290 42.059 0.158 0.000 1.288 238 L HN 0.937 nan 8.230 nan 0.000 0.411 239 K N -1.145 119.433 120.400 0.298 0.000 2.658 239 K HA 0.236 4.561 4.320 0.008 0.000 0.202 239 K C -0.061 176.649 176.600 0.184 0.000 1.563 239 K CA 0.146 56.564 56.287 0.218 0.000 1.129 239 K CB 0.697 33.279 32.500 0.136 0.000 1.507 239 K HN 0.240 nan 8.250 nan 0.000 0.581 240 D N 4.039 124.538 120.400 0.166 0.000 2.389 240 D HA 0.011 4.656 4.640 0.008 0.000 0.263 240 D C -2.115 174.327 176.300 0.237 0.000 1.255 240 D CA -1.409 52.678 54.000 0.146 0.000 0.914 240 D CB 1.186 42.044 40.800 0.096 0.000 1.116 240 D HN -0.031 nan 8.370 nan 0.000 0.502 241 P HA 0.217 nan 4.420 nan 0.000 0.261 241 P C 1.217 178.706 177.300 0.315 0.000 1.352 241 P CA -0.141 63.229 63.100 0.450 0.000 0.891 241 P CB 0.739 32.578 31.700 0.231 0.000 1.383 242 G N 0.257 109.169 108.800 0.187 0.000 2.535 242 G HA2 -0.159 3.806 3.960 0.008 0.000 0.218 242 G HA3 -0.159 3.806 3.960 0.008 0.000 0.218 242 G C 1.258 176.221 174.900 0.104 0.000 1.122 242 G CA 0.368 45.545 45.100 0.129 0.000 0.769 242 G HN 0.193 nan 8.290 nan 0.000 0.549 243 V N -1.180 118.787 119.914 0.087 0.000 2.871 243 V HA -0.011 4.114 4.120 0.008 0.000 0.256 243 V C 1.839 177.801 176.094 -0.221 0.000 1.082 243 V CA 0.901 63.145 62.300 -0.092 0.000 1.105 243 V CB -0.433 31.250 31.823 -0.234 0.000 0.713 243 V HN 0.612 nan 8.190 nan 0.000 0.473 244 W N -1.353 119.993 121.300 0.076 0.000 3.220 244 W HA 0.404 5.069 4.660 0.008 0.000 0.328 244 W C 1.794 178.375 176.519 0.104 0.000 1.205 244 W CA -0.270 57.128 57.345 0.089 0.000 1.773 244 W CB -0.164 29.321 29.460 0.042 0.000 1.086 244 W HN 0.134 nan 8.180 nan 0.000 0.622 245 I N -0.023 120.700 120.570 0.255 0.000 2.429 245 I HA -0.066 4.109 4.170 0.008 0.000 0.247 245 I C 2.569 178.764 176.117 0.129 0.000 1.099 245 I CA 1.076 62.474 61.300 0.164 0.000 1.422 245 I CB -0.788 37.273 38.000 0.102 0.000 1.112 245 I HN -0.083 nan 8.210 nan 0.000 0.430 246 A N 1.154 124.051 122.820 0.129 0.000 1.908 246 A HA -0.189 4.136 4.320 0.008 0.000 0.218 246 A C 2.479 180.250 177.584 0.312 0.000 1.181 246 A CA 2.091 54.225 52.037 0.162 0.000 0.627 246 A CB -0.840 18.242 19.000 0.137 0.000 0.818 246 A HN 0.428 nan 8.150 nan 0.000 0.445 247 A N -0.548 122.446 122.820 0.290 0.000 1.824 247 A HA -0.014 4.311 4.320 0.008 0.000 0.215 247 A C 2.173 179.924 177.584 0.279 0.000 1.209 247 A CA 1.859 54.026 52.037 0.217 0.000 0.614 247 A CB -1.299 17.657 19.000 -0.073 0.000 0.852 247 A HN 0.506 nan 8.150 nan 0.000 0.447 248 V N 0.300 120.403 119.914 0.316 0.000 2.370 248 V HA -0.260 3.865 4.120 0.008 0.000 0.252 248 V C 2.741 179.108 176.094 0.455 0.000 1.068 248 V CA 2.186 64.721 62.300 0.392 0.000 1.061 248 V CB -1.536 30.580 31.823 0.488 0.000 0.656 248 V HN 0.690 nan 8.190 nan 0.000 0.455 249 G N -1.028 107.980 108.800 0.347 0.000 2.402 249 G HA2 -0.324 3.641 3.960 0.008 0.000 0.216 249 G HA3 -0.324 3.641 3.960 0.008 0.000 0.216 249 G C 1.499 176.643 174.900 0.406 0.000 1.162 249 G CA 0.928 46.211 45.100 0.305 0.000 0.777 249 G HN 0.526 nan 8.290 nan 0.000 0.539 250 Q N 0.101 120.139 119.800 0.397 0.000 2.224 250 Q HA 0.011 4.356 4.340 0.008 0.000 0.203 250 Q C 2.297 178.610 176.000 0.521 0.000 0.970 250 Q CA 0.774 56.862 55.803 0.474 0.000 0.865 250 Q CB -0.271 28.817 28.738 0.583 0.000 0.922 250 Q HN 0.371 nan 8.270 nan 0.000 0.445 251 I N 0.000 120.817 120.570 0.412 0.000 2.361 251 I HA -0.204 3.971 4.170 0.008 0.000 0.251 251 I C 1.488 177.733 176.117 0.214 0.000 1.133 251 I CA 1.138 62.570 61.300 0.219 0.000 1.413 251 I CB -0.881 37.133 38.000 0.024 0.000 1.073 251 I HN 0.236 nan 8.210 nan 0.000 0.424 252 F N 0.096 120.223 119.950 0.294 0.000 2.074 252 F HA -0.230 4.302 4.527 0.008 0.000 0.293 252 F C 2.464 178.555 175.800 0.485 0.000 1.116 252 F CA 1.670 59.877 58.000 0.346 0.000 1.212 252 F CB -0.880 38.307 39.000 0.312 0.000 0.998 252 F HN -0.095 nan 8.300 nan 0.000 0.471 253 F N 0.386 120.692 119.950 0.593 0.000 2.069 253 F HA -0.259 4.273 4.527 0.008 0.000 0.298 253 F C 2.793 178.730 175.800 0.229 0.000 1.113 253 F CA 2.221 60.505 58.000 0.473 0.000 1.214 253 F CB -0.992 38.247 39.000 0.397 0.000 0.978 253 F HN -0.104 nan 8.300 nan 0.000 0.474 254 T N 0.128 114.958 114.554 0.459 0.000 2.699 254 T HA -0.195 4.160 4.350 0.008 0.000 0.268 254 T C 1.826 176.591 174.700 0.108 0.000 1.036 254 T CA 1.729 63.996 62.100 0.280 0.000 1.147 254 T CB -0.402 68.672 68.868 0.343 0.000 0.862 254 T HN 0.216 nan 8.240 nan 0.000 0.446 255 L N 0.360 121.654 121.223 0.118 0.000 2.592 255 L HA 0.263 4.608 4.340 0.008 0.000 0.227 255 L C 1.098 177.978 176.870 0.017 0.000 1.127 255 L CA 0.016 54.888 54.840 0.052 0.000 0.884 255 L CB 0.112 42.205 42.059 0.057 0.000 1.065 255 L HN 0.154 nan 8.230 nan 0.000 0.457 256 S N 0.493 116.163 115.700 -0.050 0.000 3.635 256 S HA -0.157 4.319 4.470 0.008 0.000 0.328 256 S C 0.336 175.100 174.600 0.273 0.000 1.135 256 S CA 0.366 58.444 58.200 -0.204 0.000 0.942 256 S CB -1.620 61.406 63.200 -0.289 0.000 0.930 256 S HN 0.279 nan 8.310 nan 0.000 0.512 257 L N 0.400 121.880 121.223 0.429 0.000 2.395 257 L HA 0.553 4.898 4.340 0.008 0.000 0.269 257 L C 1.546 178.878 176.870 0.771 0.000 1.133 257 L CA 0.420 55.524 54.840 0.441 0.000 0.812 257 L CB 0.554 42.629 42.059 0.025 0.000 1.125 257 L HN 0.407 nan 8.230 nan 0.000 0.452 258 G N 1.725 110.895 108.800 0.616 0.000 2.153 258 G HA2 -0.313 3.652 3.960 0.008 0.000 0.252 258 G HA3 -0.313 3.652 3.960 0.008 0.000 0.252 258 G C 0.256 175.351 174.900 0.325 0.000 0.994 258 G CA 0.249 45.688 45.100 0.565 0.000 0.698 258 G HN 0.583 nan 8.290 nan 0.000 0.521 259 F N 0.041 120.189 119.950 0.329 0.000 2.678 259 F HA 0.408 4.939 4.527 0.008 0.000 0.305 259 F C 2.112 177.996 175.800 0.140 0.000 1.090 259 F CA 0.603 58.702 58.000 0.165 0.000 1.272 259 F CB 0.837 39.869 39.000 0.053 0.000 1.060 259 F HN 0.577 nan 8.300 nan 0.000 0.576 260 G N 0.695 109.747 108.800 0.419 0.000 2.189 260 G HA2 -0.407 3.558 3.960 0.008 0.000 0.267 260 G HA3 -0.407 3.558 3.960 0.008 0.000 0.267 260 G C 1.311 176.336 174.900 0.207 0.000 0.975 260 G CA 0.631 45.919 45.100 0.315 0.000 0.644 260 G HN 0.520 nan 8.290 nan 0.000 0.537 261 A N 0.342 123.298 122.820 0.226 0.000 1.855 261 A HA 0.391 4.716 4.320 0.008 0.000 0.213 261 A C 2.310 180.015 177.584 0.202 0.000 1.195 261 A CA 1.771 53.912 52.037 0.173 0.000 0.610 261 A CB -0.297 18.784 19.000 0.136 0.000 0.837 261 A HN 0.476 nan 8.150 nan 0.000 0.444 262 I N 0.787 121.452 120.570 0.159 0.000 2.185 262 I HA -0.284 3.891 4.170 0.008 0.000 0.246 262 I C 2.400 178.514 176.117 -0.005 0.000 1.088 262 I CA 1.315 62.645 61.300 0.050 0.000 1.347 262 I CB -1.245 36.785 38.000 0.050 0.000 1.041 262 I HN 0.329 nan 8.210 nan 0.000 0.415 263 I N 0.056 120.665 120.570 0.064 0.000 2.179 263 I HA -0.307 3.868 4.170 0.008 0.000 0.242 263 I C 2.448 178.570 176.117 0.007 0.000 1.088 263 I CA 1.610 62.932 61.300 0.037 0.000 1.357 263 I CB -0.734 37.318 38.000 0.088 0.000 1.051 263 I HN 0.216 nan 8.210 nan 0.000 0.409 264 T N 0.018 114.588 114.554 0.027 0.000 2.674 264 T HA -0.213 4.142 4.350 0.008 0.000 0.265 264 T C 1.833 176.524 174.700 -0.015 0.000 1.039 264 T CA 1.574 63.646 62.100 -0.047 0.000 1.150 264 T CB -0.481 68.354 68.868 -0.054 0.000 0.864 264 T HN 0.187 nan 8.240 nan 0.000 0.427 265 Y N 1.559 121.938 120.300 0.131 0.000 2.081 265 Y HA -0.116 4.440 4.550 0.009 0.000 0.280 265 Y C 2.752 178.836 175.900 0.307 0.000 1.163 265 Y CA 0.952 59.274 58.100 0.371 0.000 1.135 265 Y CB -0.907 37.716 38.460 0.270 0.000 0.970 265 Y HN 0.208 nan 8.280 nan 0.000 0.498 266 A N -0.560 122.320 122.820 0.100 0.000 2.076 266 A HA -0.222 4.103 4.320 0.008 0.000 0.220 266 A C 2.371 179.960 177.584 0.008 0.000 1.160 266 A CA 1.885 53.887 52.037 -0.058 0.000 0.653 266 A CB -1.094 17.763 19.000 -0.239 0.000 0.801 266 A HN 0.515 nan 8.150 nan 0.000 0.455 267 S N -1.658 113.970 115.700 -0.119 0.000 2.474 267 S HA -0.120 4.355 4.470 0.008 0.000 0.235 267 S C 1.611 175.928 174.600 -0.471 0.000 0.997 267 S CA 1.117 59.142 58.200 -0.292 0.000 0.949 267 S CB -0.695 62.274 63.200 -0.386 0.000 0.766 267 S HN 0.589 nan 8.310 nan 0.000 0.517 268 Y N 1.589 121.753 120.300 -0.227 0.000 2.420 268 Y HA 0.338 4.893 4.550 0.008 0.000 0.292 268 Y C 1.309 176.916 175.900 -0.488 0.000 1.119 268 Y CA -0.443 57.368 58.100 -0.481 0.000 1.229 268 Y CB -0.579 37.401 38.460 -0.799 0.000 1.026 268 Y HN 0.046 nan 8.280 nan 0.000 0.554 269 V N 3.253 123.218 119.914 0.085 0.000 2.644 269 V HA -0.143 3.982 4.120 0.008 0.000 0.305 269 V C 0.805 176.870 176.094 -0.048 0.000 1.053 269 V CA -0.232 62.199 62.300 0.217 0.000 1.186 269 V CB -0.009 32.011 31.823 0.328 0.000 0.895 269 V HN 0.284 nan 8.190 nan 0.000 0.490 270 R N 4.238 124.768 120.500 0.049 0.000 2.811 270 R HA -0.011 4.334 4.340 0.008 0.000 0.265 270 R C 1.710 178.054 176.300 0.072 0.000 1.026 270 R CA 0.022 56.175 56.100 0.088 0.000 1.142 270 R CB 0.351 30.778 30.300 0.212 0.000 1.027 270 R HN 0.833 nan 8.270 nan 0.000 0.465 271 K N 0.737 121.182 120.400 0.075 0.000 2.211 271 K HA -0.189 4.136 4.320 0.008 0.000 0.204 271 K C -0.019 176.629 176.600 0.081 0.000 1.047 271 K CA 1.768 58.094 56.287 0.064 0.000 0.935 271 K CB 0.220 32.754 32.500 0.056 0.000 0.728 271 K HN 0.447 nan 8.250 nan 0.000 0.452 272 D N 0.536 120.989 120.400 0.088 0.000 2.540 272 D HA 0.088 4.733 4.640 0.008 0.000 0.229 272 D C -0.369 175.981 176.300 0.083 0.000 1.250 272 D CA -0.039 54.008 54.000 0.078 0.000 0.817 272 D CB 0.568 41.407 40.800 0.064 0.000 1.060 272 D HN 0.280 nan 8.370 nan 0.000 0.508 273 Q N 0.872 120.738 119.800 0.110 0.000 2.354 273 Q HA 0.139 4.484 4.340 0.008 0.000 0.244 273 Q C -0.120 175.948 176.000 0.113 0.000 0.969 273 Q CA -0.221 55.655 55.803 0.122 0.000 0.885 273 Q CB 1.204 30.045 28.738 0.172 0.000 1.241 273 Q HN 0.034 nan 8.270 nan 0.000 0.461 274 D N 1.170 121.619 120.400 0.082 0.000 2.443 274 D HA 0.002 4.647 4.640 0.008 0.000 0.239 274 D C 0.407 176.747 176.300 0.067 0.000 1.136 274 D CA 0.330 54.353 54.000 0.039 0.000 0.879 274 D CB 0.504 41.304 40.800 -0.001 0.000 1.195 274 D HN 0.584 nan 8.370 nan 0.000 0.443 275 I N 0.466 121.043 120.570 0.012 0.000 4.439 275 I HA 0.110 4.285 4.170 0.008 0.000 0.331 275 I C 0.530 176.501 176.117 -0.242 0.000 1.345 275 I CA -0.418 60.856 61.300 -0.044 0.000 1.193 275 I CB 0.342 38.508 38.000 0.277 0.000 1.221 275 I HN 0.274 nan 8.210 nan 0.000 0.429 276 V N 1.439 121.235 119.914 -0.196 0.000 2.302 276 V HA -0.164 3.961 4.120 0.008 0.000 0.243 276 V C 2.395 178.477 176.094 -0.021 0.000 1.036 276 V CA 1.871 64.031 62.300 -0.234 0.000 1.020 276 V CB -0.376 31.206 31.823 -0.402 0.000 0.657 276 V HN 0.459 nan 8.190 nan 0.000 0.453 277 L N 0.064 121.228 121.223 -0.098 0.000 2.068 277 L HA -0.036 4.309 4.340 0.008 0.000 0.204 277 L C 2.539 179.318 176.870 -0.153 0.000 1.076 277 L CA 1.929 56.727 54.840 -0.071 0.000 0.753 277 L CB -0.643 41.381 42.059 -0.059 0.000 0.910 277 L HN 0.261 nan 8.230 nan 0.000 0.439 278 S N 0.058 115.612 115.700 -0.243 0.000 2.359 278 S HA -0.173 4.302 4.470 0.008 0.000 0.223 278 S C 1.936 176.172 174.600 -0.608 0.000 1.039 278 S CA 1.309 59.310 58.200 -0.330 0.000 1.042 278 S CB -1.302 61.744 63.200 -0.257 0.000 0.915 278 S HN 0.684 nan 8.310 nan 0.000 0.439 279 G N 1.872 109.964 108.800 -1.180 0.000 2.459 279 G HA2 -0.206 3.759 3.960 0.008 0.000 0.217 279 G HA3 -0.206 3.759 3.960 0.008 0.000 0.217 279 G C 1.405 175.988 174.900 -0.528 0.000 1.183 279 G CA 1.113 45.448 45.100 -1.274 0.000 0.776 279 G HN 0.415 nan 8.290 nan 0.000 0.552 280 L N 0.993 122.017 121.223 -0.331 0.000 2.079 280 L HA -0.052 4.293 4.340 0.008 0.000 0.210 280 L C 2.898 179.689 176.870 -0.132 0.000 1.081 280 L CA 2.681 57.385 54.840 -0.227 0.000 0.752 280 L CB -0.947 41.117 42.059 0.008 0.000 0.896 280 L HN 0.221 nan 8.230 nan 0.000 0.433 281 T N -0.187 114.295 114.554 -0.119 0.000 2.674 281 T HA -0.155 4.200 4.350 0.008 0.000 0.265 281 T C 1.911 176.575 174.700 -0.059 0.000 1.039 281 T CA 1.501 63.557 62.100 -0.073 0.000 1.150 281 T CB -0.633 68.191 68.868 -0.075 0.000 0.864 281 T HN 0.539 nan 8.240 nan 0.000 0.427 282 A N 1.662 124.446 122.820 -0.060 0.000 1.883 282 A HA 0.088 4.413 4.320 0.008 0.000 0.217 282 A C 2.692 180.272 177.584 -0.007 0.000 1.186 282 A CA 2.082 54.112 52.037 -0.012 0.000 0.624 282 A CB -1.331 17.721 19.000 0.088 0.000 0.822 282 A HN 0.513 nan 8.150 nan 0.000 0.444 283 A N -0.966 121.849 122.820 -0.009 0.000 1.903 283 A HA -0.197 4.128 4.320 0.008 0.000 0.219 283 A C 2.329 179.946 177.584 0.054 0.000 1.191 283 A CA 2.681 54.747 52.037 0.049 0.000 0.638 283 A CB -1.447 17.566 19.000 0.022 0.000 0.823 283 A HN 0.474 nan 8.150 nan 0.000 0.451 284 T N 0.291 114.870 114.554 0.042 0.000 2.737 284 T HA -0.039 4.316 4.350 0.008 0.000 0.265 284 T C 1.820 176.484 174.700 -0.060 0.000 1.038 284 T CA 1.266 63.369 62.100 0.006 0.000 1.144 284 T CB -0.394 68.493 68.868 0.031 0.000 0.866 284 T HN 0.364 nan 8.240 nan 0.000 0.434 285 L N 1.293 122.491 121.223 -0.042 0.000 2.043 285 L HA -0.222 4.123 4.340 0.008 0.000 0.212 285 L C 2.613 179.447 176.870 -0.060 0.000 1.075 285 L CA 1.540 56.355 54.840 -0.041 0.000 0.752 285 L CB -0.635 41.402 42.059 -0.038 0.000 0.891 285 L HN 0.327 nan 8.230 nan 0.000 0.432 286 N N -0.239 118.416 118.700 -0.075 0.000 2.106 286 N HA -0.204 4.541 4.740 0.008 0.000 0.188 286 N C 1.789 177.193 175.510 -0.177 0.000 1.029 286 N CA 1.212 54.202 53.050 -0.101 0.000 0.848 286 N CB 0.068 38.514 38.487 -0.068 0.000 1.007 286 N HN 0.110 nan 8.380 nan 0.000 0.423 287 E N 0.763 120.802 120.200 -0.268 0.000 2.118 287 E HA -0.163 4.192 4.350 0.008 0.000 0.195 287 E C 1.799 178.265 176.600 -0.223 0.000 0.992 287 E CA 0.930 57.111 56.400 -0.364 0.000 0.804 287 E CB -0.177 29.065 29.700 -0.762 0.000 0.741 287 E HN 0.507 nan 8.360 nan 0.000 0.458 288 K N 0.461 120.768 120.400 -0.155 0.000 1.985 288 K HA -0.076 4.249 4.320 0.008 0.000 0.210 288 K C 2.213 178.752 176.600 -0.103 0.000 1.047 288 K CA 1.317 57.553 56.287 -0.085 0.000 0.932 288 K CB -0.271 32.211 32.500 -0.031 0.000 0.716 288 K HN 0.079 nan 8.250 nan 0.000 0.439 289 A N 1.137 123.893 122.820 -0.106 0.000 1.948 289 A HA -0.221 4.104 4.320 0.008 0.000 0.220 289 A C 2.270 179.641 177.584 -0.354 0.000 1.177 289 A CA 2.133 54.089 52.037 -0.136 0.000 0.636 289 A CB -0.624 18.329 19.000 -0.078 0.000 0.815 289 A HN 0.207 nan 8.150 nan 0.000 0.449 290 S N -1.018 114.420 115.700 -0.435 0.000 2.325 290 S HA -0.112 4.363 4.470 0.008 0.000 0.213 290 S C 2.171 176.318 174.600 -0.756 0.000 1.031 290 S CA 1.726 59.463 58.200 -0.772 0.000 0.984 290 S CB -0.747 61.916 63.200 -0.894 0.000 0.939 290 S HN 0.942 nan 8.310 nan 0.000 0.438 291 V N 0.794 120.425 119.914 -0.471 0.000 2.307 291 V HA -0.046 4.079 4.120 0.008 0.000 0.245 291 V C 1.867 178.090 176.094 0.215 0.000 1.045 291 V CA 1.579 63.846 62.300 -0.056 0.000 1.024 291 V CB -0.879 31.086 31.823 0.236 0.000 0.651 291 V HN 0.482 nan 8.190 nan 0.000 0.449 292 I N -0.321 120.291 120.570 0.071 0.000 2.206 292 I HA -0.081 4.094 4.170 0.008 0.000 0.239 292 I C 2.605 178.748 176.117 0.043 0.000 1.078 292 I CA 1.691 63.020 61.300 0.049 0.000 1.367 292 I CB -0.301 37.689 38.000 -0.018 0.000 1.078 292 I HN 0.267 nan 8.210 nan 0.000 0.413 293 L N 0.283 121.499 121.223 -0.011 0.000 2.004 293 L HA 0.004 4.349 4.340 0.008 0.000 0.205 293 L C 2.762 179.676 176.870 0.073 0.000 1.089 293 L CA 1.559 56.429 54.840 0.050 0.000 0.756 293 L CB -1.433 40.679 42.059 0.089 0.000 0.900 293 L HN 0.270 nan 8.230 nan 0.000 0.440 294 G N -0.040 108.615 108.800 -0.241 0.000 2.529 294 G HA2 -0.267 3.698 3.960 0.008 0.000 0.219 294 G HA3 -0.267 3.698 3.960 0.008 0.000 0.219 294 G C 1.528 176.486 174.900 0.097 0.000 1.177 294 G CA 0.941 45.870 45.100 -0.285 0.000 0.773 294 G HN 0.530 nan 8.290 nan 0.000 0.573 295 G N -0.214 108.665 108.800 0.131 0.000 2.470 295 G HA2 -0.004 3.961 3.960 0.008 0.000 0.220 295 G HA3 -0.004 3.961 3.960 0.008 0.000 0.220 295 G C 1.772 176.825 174.900 0.256 0.000 1.121 295 G CA 1.268 46.562 45.100 0.323 0.000 0.766 295 G HN 0.449 nan 8.290 nan 0.000 0.553 296 S N -0.322 115.508 115.700 0.216 0.000 2.556 296 S HA 0.327 4.802 4.470 0.008 0.000 0.216 296 S C 1.609 176.294 174.600 0.142 0.000 0.970 296 S CA -0.332 57.985 58.200 0.196 0.000 0.912 296 S CB 0.185 63.483 63.200 0.164 0.000 0.790 296 S HN 0.367 nan 8.310 nan 0.000 0.504 297 I N 0.996 121.641 120.570 0.125 0.000 4.056 297 I HA -0.026 4.149 4.170 0.008 0.000 0.232 297 I C 2.469 178.527 176.117 -0.098 0.000 1.031 297 I CA 0.588 61.908 61.300 0.033 0.000 1.571 297 I CB -0.732 37.311 38.000 0.071 0.000 1.470 297 I HN 0.228 nan 8.210 nan 0.000 0.463 298 S N 1.799 117.397 115.700 -0.169 0.000 2.353 298 S HA -0.144 4.331 4.470 0.008 0.000 0.222 298 S C 2.037 176.533 174.600 -0.174 0.000 1.035 298 S CA 1.020 59.049 58.200 -0.284 0.000 1.025 298 S CB -0.670 62.383 63.200 -0.245 0.000 0.902 298 S HN 0.226 nan 8.310 nan 0.000 0.440 299 I N 3.211 123.734 120.570 -0.080 0.000 2.113 299 I HA -0.038 4.137 4.170 0.008 0.000 0.238 299 I C -0.606 175.484 176.117 -0.046 0.000 1.070 299 I CA 0.847 62.105 61.300 -0.070 0.000 1.332 299 I CB -2.717 35.271 38.000 -0.021 0.000 1.044 299 I HN 0.201 nan 8.210 nan 0.000 0.402 300 P HA -0.140 nan 4.420 nan 0.000 0.217 300 P C 1.615 178.923 177.300 0.013 0.000 1.148 300 P CA 2.044 65.167 63.100 0.038 0.000 0.828 300 P CB -0.007 31.750 31.700 0.095 0.000 0.783 301 A N -0.152 122.653 122.820 -0.025 0.000 1.872 301 A HA -0.034 4.291 4.320 0.008 0.000 0.214 301 A C 2.328 179.919 177.584 0.012 0.000 1.187 301 A CA 1.914 53.933 52.037 -0.029 0.000 0.614 301 A CB -1.545 17.350 19.000 -0.176 0.000 0.826 301 A HN 0.185 nan 8.150 nan 0.000 0.442 302 A N -0.519 122.270 122.820 -0.052 0.000 1.902 302 A HA -0.005 4.320 4.320 0.008 0.000 0.217 302 A C 2.217 179.888 177.584 0.145 0.000 1.181 302 A CA 1.800 53.862 52.037 0.041 0.000 0.623 302 A CB -0.944 17.981 19.000 -0.125 0.000 0.818 302 A HN 0.383 nan 8.150 nan 0.000 0.443 303 V N -0.096 119.827 119.914 0.014 0.000 2.343 303 V HA -0.248 3.877 4.120 0.008 0.000 0.247 303 V C 3.051 179.163 176.094 0.030 0.000 1.051 303 V CA 1.841 64.131 62.300 -0.015 0.000 1.036 303 V CB -1.241 30.526 31.823 -0.093 0.000 0.654 303 V HN 0.622 nan 8.190 nan 0.000 0.451 304 A N -0.609 122.244 122.820 0.054 0.000 1.908 304 A HA -0.220 4.105 4.320 0.008 0.000 0.218 304 A C 2.020 179.594 177.584 -0.017 0.000 1.181 304 A CA 2.090 54.142 52.037 0.024 0.000 0.627 304 A CB -0.644 18.402 19.000 0.076 0.000 0.818 304 A HN 0.488 nan 8.150 nan 0.000 0.445 305 F N -2.762 117.127 119.950 -0.102 0.000 2.473 305 F HA 0.206 4.739 4.527 0.009 0.000 0.294 305 F C 1.492 177.038 175.800 -0.423 0.000 1.103 305 F CA 0.747 58.587 58.000 -0.267 0.000 1.442 305 F CB 0.053 38.850 39.000 -0.339 0.000 1.097 305 F HN 0.206 nan 8.300 nan 0.000 0.547 306 F N -0.589 119.392 119.950 0.051 0.000 2.724 306 F HA 0.459 4.991 4.527 0.008 0.000 0.306 306 F C 1.139 176.907 175.800 -0.054 0.000 1.100 306 F CA 0.383 58.377 58.000 -0.010 0.000 1.255 306 F CB 0.089 39.070 39.000 -0.032 0.000 1.072 306 F HN -0.083 nan 8.300 nan 0.000 0.589 307 G N 0.351 109.191 108.800 0.066 0.000 2.712 307 G HA2 -0.166 3.800 3.960 0.008 0.000 0.686 307 G HA3 -0.166 3.800 3.960 0.008 0.000 0.686 307 G C 0.348 175.221 174.900 -0.045 0.000 1.321 307 G CA -0.552 44.546 45.100 -0.003 0.000 0.813 307 G HN -0.070 nan 8.290 nan 0.000 0.599 308 V N 0.839 120.701 119.914 -0.087 0.000 2.809 308 V HA 0.071 4.196 4.120 0.008 0.000 0.256 308 V C 3.011 178.980 176.094 -0.209 0.000 1.080 308 V CA 3.098 65.281 62.300 -0.194 0.000 1.102 308 V CB -0.865 30.885 31.823 -0.122 0.000 0.705 308 V HN 1.574 nan 8.190 nan 0.000 0.475 309 A N 0.324 123.085 122.820 -0.097 0.000 1.878 309 A HA -0.067 4.258 4.320 0.008 0.000 0.213 309 A C 1.825 179.362 177.584 -0.078 0.000 1.192 309 A CA 1.040 53.036 52.037 -0.068 0.000 0.619 309 A CB -0.516 18.470 19.000 -0.024 0.000 0.837 309 A HN 0.508 nan 8.150 nan 0.000 0.446 310 N N 0.559 119.229 118.700 -0.050 0.000 2.627 310 N HA 0.080 4.825 4.740 0.008 0.000 0.196 310 N C 1.160 176.595 175.510 -0.125 0.000 1.268 310 N CA 0.876 53.900 53.050 -0.045 0.000 0.904 310 N CB -0.070 38.454 38.487 0.062 0.000 1.016 310 N HN 0.551 nan 8.380 nan 0.000 0.448 311 A N -0.403 122.308 122.820 -0.182 0.000 1.919 311 A HA 0.077 4.402 4.320 0.008 0.000 0.211 311 A C 2.165 179.596 177.584 -0.255 0.000 1.310 311 A CA 0.259 52.133 52.037 -0.272 0.000 0.651 311 A CB -0.525 18.213 19.000 -0.436 0.000 0.996 311 A HN 0.052 nan 8.150 nan 0.000 0.479 312 V N 0.766 120.541 119.914 -0.232 0.000 2.439 312 V HA -0.324 3.801 4.120 0.008 0.000 0.253 312 V C 2.946 178.975 176.094 -0.108 0.000 1.074 312 V CA 2.120 64.352 62.300 -0.115 0.000 1.076 312 V CB -1.181 30.630 31.823 -0.019 0.000 0.664 312 V HN 0.607 nan 8.190 nan 0.000 0.461 313 A N -0.339 122.412 122.820 -0.116 0.000 1.897 313 A HA -0.103 4.222 4.320 0.008 0.000 0.215 313 A C 2.148 179.651 177.584 -0.135 0.000 1.181 313 A CA 1.607 53.581 52.037 -0.106 0.000 0.620 313 A CB -0.417 18.528 19.000 -0.092 0.000 0.821 313 A HN 0.507 nan 8.150 nan 0.000 0.443 314 I N -0.163 120.296 120.570 -0.186 0.000 2.226 314 I HA -0.268 3.907 4.170 0.008 0.000 0.245 314 I C 2.971 178.985 176.117 -0.173 0.000 1.100 314 I CA 0.954 62.123 61.300 -0.219 0.000 1.374 314 I CB -0.360 37.445 38.000 -0.325 0.000 1.057 314 I HN 0.360 nan 8.210 nan 0.000 0.413 315 A N 1.075 123.794 122.820 -0.167 0.000 1.883 315 A HA -0.243 4.082 4.320 0.008 0.000 0.217 315 A C 2.292 179.795 177.584 -0.134 0.000 1.186 315 A CA 1.725 53.670 52.037 -0.153 0.000 0.624 315 A CB -0.522 18.385 19.000 -0.155 0.000 0.822 315 A HN 0.330 nan 8.150 nan 0.000 0.444 316 K N -0.274 120.056 120.400 -0.118 0.000 2.211 316 K HA -0.074 4.251 4.320 0.008 0.000 0.204 316 K C 2.075 178.623 176.600 -0.087 0.000 1.047 316 K CA 0.907 57.135 56.287 -0.099 0.000 0.935 316 K CB -0.325 32.127 32.500 -0.080 0.000 0.728 316 K HN 0.478 nan 8.250 nan 0.000 0.452 317 A N 1.354 124.122 122.820 -0.087 0.000 2.070 317 A HA 0.071 4.396 4.320 0.008 0.000 0.220 317 A C 0.987 178.541 177.584 -0.049 0.000 1.159 317 A CA 1.342 53.342 52.037 -0.061 0.000 0.656 317 A CB -0.323 18.637 19.000 -0.067 0.000 0.800 317 A HN 0.435 nan 8.150 nan 0.000 0.453 318 G N -3.855 104.897 108.800 -0.080 0.000 2.440 318 G HA2 0.377 4.342 3.960 0.008 0.000 0.684 318 G HA3 0.377 4.342 3.960 0.008 0.000 0.684 318 G C 0.474 175.308 174.900 -0.109 0.000 1.309 318 G CA -0.101 44.937 45.100 -0.104 0.000 0.931 318 G HN 1.191 nan 8.290 nan 0.000 0.612 319 A N -0.732 121.958 122.820 -0.217 0.000 2.119 319 A HA 0.436 4.761 4.320 0.008 0.000 0.216 319 A C 1.877 179.474 177.584 0.022 0.000 1.152 319 A CA 2.227 54.156 52.037 -0.181 0.000 0.708 319 A CB -0.352 18.461 19.000 -0.312 0.000 0.805 319 A HN 0.834 nan 8.150 nan 0.000 0.460 320 F N 0.340 120.399 119.950 0.182 0.000 2.317 320 F HA 0.040 4.572 4.527 0.009 0.000 0.293 320 F C 2.046 178.001 175.800 0.259 0.000 1.085 320 F CA 0.272 58.463 58.000 0.320 0.000 1.390 320 F CB -0.824 38.312 39.000 0.227 0.000 1.077 320 F HN 0.156 nan 8.300 nan 0.000 0.517 321 N N 0.729 119.597 118.700 0.281 0.000 2.043 321 N HA -0.179 4.566 4.740 0.008 0.000 0.193 321 N C 2.003 177.579 175.510 0.110 0.000 1.037 321 N CA 1.183 54.329 53.050 0.160 0.000 0.851 321 N CB -0.911 37.613 38.487 0.062 0.000 1.027 321 N HN 0.167 nan 8.380 nan 0.000 0.422 322 L N 0.826 122.081 121.223 0.054 0.000 1.994 322 L HA 0.005 4.350 4.340 0.008 0.000 0.208 322 L C 2.127 178.990 176.870 -0.013 0.000 1.071 322 L CA 2.009 56.825 54.840 -0.040 0.000 0.745 322 L CB -1.237 40.783 42.059 -0.065 0.000 0.892 322 L HN 0.215 nan 8.230 nan 0.000 0.431 323 G N -2.179 106.702 108.800 0.136 0.000 2.422 323 G HA2 -0.230 3.736 3.960 0.008 0.000 0.218 323 G HA3 -0.230 3.736 3.960 0.008 0.000 0.218 323 G C 1.140 176.045 174.900 0.008 0.000 1.140 323 G CA 0.823 46.007 45.100 0.140 0.000 0.775 323 G HN 0.437 nan 8.290 nan 0.000 0.545 324 F N -1.169 118.927 119.950 0.242 0.000 2.746 324 F HA 0.480 5.012 4.527 0.009 0.000 0.313 324 F C 1.838 177.740 175.800 0.170 0.000 1.095 324 F CA -0.241 57.851 58.000 0.153 0.000 1.224 324 F CB 0.574 39.553 39.000 -0.034 0.000 1.060 324 F HN 0.032 nan 8.300 nan 0.000 0.584 325 I N -1.878 118.847 120.570 0.259 0.000 3.623 325 I HA -0.050 4.125 4.170 0.008 0.000 0.253 325 I C 1.981 178.079 176.117 -0.031 0.000 1.144 325 I CA 0.561 61.982 61.300 0.202 0.000 1.461 325 I CB -0.320 37.806 38.000 0.209 0.000 1.575 325 I HN -0.217 nan 8.210 nan 0.000 0.445 326 T N 1.951 116.446 114.554 -0.099 0.000 2.674 326 T HA -0.136 4.219 4.350 0.008 0.000 0.265 326 T C 1.831 176.285 174.700 -0.410 0.000 1.039 326 T CA 1.404 63.366 62.100 -0.229 0.000 1.150 326 T CB -0.247 68.467 68.868 -0.256 0.000 0.864 326 T HN 0.029 nan 8.240 nan 0.000 0.427 327 L N 1.837 122.759 121.223 -0.501 0.000 1.976 327 L HA 0.016 4.361 4.340 0.008 0.000 0.209 327 L C -0.902 175.352 176.870 -1.027 0.000 1.071 327 L CA 1.971 56.267 54.840 -0.906 0.000 0.746 327 L CB -1.532 39.883 42.059 -1.072 0.000 0.890 327 L HN 0.125 nan 8.230 nan 0.000 0.432 328 P HA -0.188 nan 4.420 nan 0.000 0.216 328 P C 1.461 178.190 177.300 -0.952 0.000 1.150 328 P CA 2.040 64.942 63.100 -0.329 0.000 0.843 328 P CB -0.162 31.667 31.700 0.214 0.000 0.787 329 A N -0.938 121.124 122.820 -1.263 0.000 1.898 329 A HA -0.157 4.168 4.320 0.008 0.000 0.216 329 A C 2.198 179.413 177.584 -0.614 0.000 1.181 329 A CA 1.303 52.614 52.037 -1.209 0.000 0.620 329 A CB -1.526 17.111 19.000 -0.604 0.000 0.819 329 A HN 0.093 nan 8.150 nan 0.000 0.442 330 I N -1.287 118.879 120.570 -0.673 0.000 2.099 330 I HA -0.274 3.901 4.170 0.008 0.000 0.239 330 I C 2.226 177.936 176.117 -0.679 0.000 1.066 330 I CA 1.489 62.218 61.300 -0.952 0.000 1.324 330 I CB -0.534 36.817 38.000 -1.082 0.000 1.037 330 I HN 0.275 nan 8.210 nan 0.000 0.401 331 F N 1.360 121.044 119.950 -0.443 0.000 2.192 331 F HA -0.254 4.278 4.527 0.008 0.000 0.301 331 F C 2.958 178.724 175.800 -0.056 0.000 1.079 331 F CA 1.470 59.346 58.000 -0.208 0.000 1.303 331 F CB -1.623 37.301 39.000 -0.128 0.000 1.024 331 F HN 0.211 nan 8.300 nan 0.000 0.494 332 S N -0.979 114.801 115.700 0.133 0.000 2.547 332 S HA -0.123 4.352 4.470 0.008 0.000 0.235 332 S C 1.470 176.171 174.600 0.168 0.000 0.980 332 S CA 0.708 59.044 58.200 0.226 0.000 0.941 332 S CB -0.226 63.196 63.200 0.370 0.000 0.763 332 S HN 0.389 nan 8.310 nan 0.000 0.532 333 Q N 0.556 120.426 119.800 0.116 0.000 2.247 333 Q HA 0.298 4.643 4.340 0.008 0.000 0.211 333 Q C 0.516 176.668 176.000 0.253 0.000 0.861 333 Q CA 0.282 56.199 55.803 0.190 0.000 0.949 333 Q CB 0.661 29.567 28.738 0.280 0.000 1.115 333 Q HN 0.568 nan 8.270 nan 0.000 0.507 334 T N -0.110 114.583 114.554 0.232 0.000 2.945 334 T HA 0.654 5.009 4.350 0.008 0.000 0.286 334 T C -0.736 174.058 174.700 0.156 0.000 1.025 334 T CA -0.537 61.697 62.100 0.223 0.000 1.039 334 T CB 1.273 70.295 68.868 0.255 0.000 1.068 334 T HN 0.133 nan 8.240 nan 0.000 0.497 335 A N 1.490 124.382 122.820 0.121 0.000 2.488 335 A HA 0.531 4.856 4.320 0.008 0.000 0.249 335 A C 1.429 179.075 177.584 0.104 0.000 1.083 335 A CA 0.285 52.380 52.037 0.097 0.000 0.768 335 A CB -0.964 18.078 19.000 0.070 0.000 1.017 335 A HN 2.042 nan 8.150 nan 0.000 0.496 336 G N 1.642 110.507 108.800 0.109 0.000 2.323 336 G HA2 -0.098 3.867 3.960 0.008 0.000 0.292 336 G HA3 -0.098 3.867 3.960 0.008 0.000 0.292 336 G C 0.952 175.957 174.900 0.174 0.000 1.040 336 G CA 0.833 46.015 45.100 0.137 0.000 0.942 336 G HN 1.791 nan 8.290 nan 0.000 0.506 337 G N -1.048 107.853 108.800 0.167 0.000 2.494 337 G HA2 0.076 4.041 3.960 0.008 0.000 0.216 337 G HA3 0.076 4.041 3.960 0.008 0.000 0.216 337 G C 1.595 176.641 174.900 0.243 0.000 1.140 337 G CA 1.800 46.997 45.100 0.161 0.000 0.801 337 G HN 0.570 nan 8.290 nan 0.000 0.536 338 T N 0.798 115.538 114.554 0.311 0.000 2.803 338 T HA -0.139 4.216 4.350 0.008 0.000 0.269 338 T C 1.855 176.832 174.700 0.461 0.000 1.052 338 T CA 0.941 63.303 62.100 0.437 0.000 1.136 338 T CB -0.240 68.808 68.868 0.299 0.000 0.864 338 T HN 0.261 nan 8.240 nan 0.000 0.467 339 F N 0.991 121.057 119.950 0.192 0.000 2.259 339 F HA 0.124 4.656 4.527 0.008 0.000 0.298 339 F C 1.693 177.558 175.800 0.107 0.000 1.088 339 F CA 0.377 58.476 58.000 0.166 0.000 1.358 339 F CB -0.255 38.800 39.000 0.091 0.000 1.040 339 F HN -0.014 nan 8.300 nan 0.000 0.505 340 L N 0.370 121.564 121.223 -0.048 0.000 2.093 340 L HA -0.026 4.319 4.340 0.008 0.000 0.208 340 L C 2.714 179.222 176.870 -0.603 0.000 1.085 340 L CA 1.889 56.439 54.840 -0.483 0.000 0.755 340 L CB -1.654 39.828 42.059 -0.961 0.000 0.904 340 L HN 0.248 nan 8.230 nan 0.000 0.435 341 G N -1.578 107.044 108.800 -0.297 0.000 2.402 341 G HA2 -0.334 3.631 3.960 0.008 0.000 0.216 341 G HA3 -0.334 3.631 3.960 0.008 0.000 0.216 341 G C 1.626 176.280 174.900 -0.410 0.000 1.162 341 G CA 0.688 45.566 45.100 -0.369 0.000 0.777 341 G HN 0.369 nan 8.290 nan 0.000 0.539 342 F N 1.469 121.230 119.950 -0.315 0.000 2.069 342 F HA -0.032 4.499 4.527 0.008 0.000 0.298 342 F C 2.446 178.136 175.800 -0.184 0.000 1.113 342 F CA 1.329 59.238 58.000 -0.151 0.000 1.214 342 F CB -0.408 38.501 39.000 -0.153 0.000 0.978 342 F HN 0.056 nan 8.300 nan 0.000 0.474 343 L N -0.518 120.390 121.223 -0.525 0.000 2.012 343 L HA -0.289 4.056 4.340 0.008 0.000 0.210 343 L C 2.614 179.319 176.870 -0.275 0.000 1.073 343 L CA 1.931 56.486 54.840 -0.475 0.000 0.748 343 L CB -1.264 40.591 42.059 -0.340 0.000 0.891 343 L HN 0.526 nan 8.230 nan 0.000 0.431 344 W N 1.047 122.073 121.300 -0.457 0.000 2.315 344 W HA -0.320 4.345 4.660 0.009 0.000 0.323 344 W C 2.269 178.478 176.519 -0.516 0.000 1.233 344 W CA 1.647 58.694 57.345 -0.498 0.000 1.267 344 W CB -0.390 28.722 29.460 -0.580 0.000 1.160 344 W HN 0.068 nan 8.180 nan 0.000 0.474 345 F N -0.504 119.193 119.950 -0.422 0.000 2.293 345 F HA -0.108 4.425 4.527 0.009 0.000 0.300 345 F C 2.221 177.811 175.800 -0.351 0.000 1.086 345 F CA 1.264 58.975 58.000 -0.480 0.000 1.375 345 F CB -1.598 37.256 39.000 -0.244 0.000 1.045 345 F HN -0.151 nan 8.300 nan 0.000 0.516 346 F N 0.077 119.789 119.950 -0.398 0.000 2.206 346 F HA -0.109 4.423 4.527 0.008 0.000 0.298 346 F C 2.204 177.879 175.800 -0.208 0.000 1.090 346 F CA 0.783 58.555 58.000 -0.381 0.000 1.323 346 F CB -0.347 38.210 39.000 -0.738 0.000 1.028 346 F HN -0.043 nan 8.300 nan 0.000 0.492 347 L N 0.520 121.643 121.223 -0.167 0.000 1.989 347 L HA -0.202 4.143 4.340 0.008 0.000 0.211 347 L C 2.038 178.653 176.870 -0.425 0.000 1.071 347 L CA 1.951 56.637 54.840 -0.256 0.000 0.749 347 L CB -1.110 40.733 42.059 -0.360 0.000 0.890 347 L HN 0.213 nan 8.230 nan 0.000 0.431 348 L N -1.361 119.496 121.223 -0.611 0.000 2.042 348 L HA -0.243 4.102 4.340 0.008 0.000 0.210 348 L C 2.527 179.250 176.870 -0.245 0.000 1.076 348 L CA 1.742 56.258 54.840 -0.540 0.000 0.749 348 L CB -0.832 40.824 42.059 -0.671 0.000 0.893 348 L HN 0.381 nan 8.230 nan 0.000 0.432 349 F N 0.343 120.088 119.950 -0.341 0.000 2.069 349 F HA -0.290 4.241 4.527 0.008 0.000 0.298 349 F C 2.267 177.927 175.800 -0.234 0.000 1.113 349 F CA 1.560 59.375 58.000 -0.308 0.000 1.214 349 F CB -0.462 38.264 39.000 -0.456 0.000 0.978 349 F HN -0.119 nan 8.300 nan 0.000 0.474 350 F N 0.703 120.367 119.950 -0.477 0.000 2.171 350 F HA -0.070 4.462 4.527 0.008 0.000 0.300 350 F C 2.573 178.216 175.800 -0.261 0.000 1.090 350 F CA 0.966 58.718 58.000 -0.414 0.000 1.293 350 F CB -1.476 37.348 39.000 -0.294 0.000 1.013 350 F HN 0.103 nan 8.300 nan 0.000 0.486 351 A N -0.236 122.565 122.820 -0.033 0.000 1.930 351 A HA -0.027 4.298 4.320 0.008 0.000 0.217 351 A C 2.597 180.196 177.584 0.025 0.000 1.175 351 A CA 1.665 53.703 52.037 0.002 0.000 0.627 351 A CB -1.502 17.488 19.000 -0.017 0.000 0.815 351 A HN 0.391 nan 8.150 nan 0.000 0.443 352 G N -0.270 108.492 108.800 -0.062 0.000 2.402 352 G HA2 -0.100 3.865 3.960 0.008 0.000 0.216 352 G HA3 -0.100 3.865 3.960 0.008 0.000 0.216 352 G C 1.468 176.377 174.900 0.015 0.000 1.162 352 G CA 1.130 46.224 45.100 -0.009 0.000 0.777 352 G HN 0.444 nan 8.290 nan 0.000 0.539 353 L N 1.857 122.964 121.223 -0.193 0.000 2.046 353 L HA -0.048 4.297 4.340 0.008 0.000 0.208 353 L C 3.047 179.941 176.870 0.040 0.000 1.077 353 L CA 2.726 57.461 54.840 -0.175 0.000 0.747 353 L CB -1.098 40.724 42.059 -0.396 0.000 0.896 353 L HN 0.352 nan 8.230 nan 0.000 0.432 354 T N -4.358 110.286 114.554 0.149 0.000 2.977 354 T HA -0.085 4.270 4.350 0.008 0.000 0.271 354 T C 1.945 176.691 174.700 0.076 0.000 1.105 354 T CA 1.333 63.531 62.100 0.164 0.000 1.116 354 T CB -0.392 68.533 68.868 0.094 0.000 0.878 354 T HN 0.290 nan 8.240 nan 0.000 0.509 355 S N 1.424 117.159 115.700 0.059 0.000 2.412 355 S HA 0.005 4.480 4.470 0.008 0.000 0.223 355 S C 2.476 177.027 174.600 -0.082 0.000 1.048 355 S CA 0.771 58.954 58.200 -0.028 0.000 0.954 355 S CB -0.301 62.890 63.200 -0.014 0.000 0.840 355 S HN 0.793 nan 8.310 nan 0.000 0.503 356 S N 3.278 118.996 115.700 0.030 0.000 2.370 356 S HA -0.147 4.328 4.470 0.008 0.000 0.226 356 S C 1.971 176.562 174.600 -0.015 0.000 1.033 356 S CA 1.491 59.699 58.200 0.012 0.000 1.011 356 S CB -1.170 62.109 63.200 0.132 0.000 0.852 356 S HN 0.715 nan 8.310 nan 0.000 0.457 357 I N 0.132 120.707 120.570 0.008 0.000 2.454 357 I HA 0.040 4.215 4.170 0.008 0.000 0.254 357 I C 2.532 178.684 176.117 0.059 0.000 1.156 357 I CA 1.183 62.493 61.300 0.017 0.000 1.433 357 I CB -0.849 37.164 38.000 0.022 0.000 1.082 357 I HN 0.340 nan 8.210 nan 0.000 0.432 358 A N 3.047 125.938 122.820 0.119 0.000 1.897 358 A HA -0.012 4.313 4.320 0.008 0.000 0.215 358 A C 2.292 179.900 177.584 0.040 0.000 1.181 358 A CA 1.642 53.822 52.037 0.239 0.000 0.620 358 A CB -0.766 18.420 19.000 0.310 0.000 0.821 358 A HN 0.694 nan 8.150 nan 0.000 0.443 359 I N -4.421 116.114 120.570 -0.059 0.000 3.684 359 I HA 0.164 4.339 4.170 0.008 0.000 0.304 359 I C 1.712 177.804 176.117 -0.041 0.000 1.278 359 I CA 0.600 61.853 61.300 -0.078 0.000 1.272 359 I CB -0.086 37.802 38.000 -0.186 0.000 1.029 359 I HN 0.141 nan 8.210 nan 0.000 0.458 360 M N 0.298 119.880 119.600 -0.031 0.000 2.414 360 M HA 0.062 4.547 4.480 0.008 0.000 0.251 360 M C 1.979 178.271 176.300 -0.014 0.000 1.116 360 M CA 0.496 55.792 55.300 -0.007 0.000 1.056 360 M CB 0.343 32.944 32.600 0.002 0.000 1.388 360 M HN 0.255 nan 8.290 nan 0.000 0.487 361 Q N 1.283 121.051 119.800 -0.053 0.000 2.137 361 Q HA -0.035 4.310 4.340 0.008 0.000 0.198 361 Q C -1.091 174.887 176.000 -0.037 0.000 0.960 361 Q CA 1.492 57.245 55.803 -0.082 0.000 0.847 361 Q CB -0.741 27.856 28.738 -0.235 0.000 0.915 361 Q HN 0.190 nan 8.270 nan 0.000 0.448 362 P HA -0.181 nan 4.420 nan 0.000 0.215 362 P C 1.105 178.426 177.300 0.036 0.000 1.157 362 P CA 1.318 64.419 63.100 0.002 0.000 0.868 362 P CB -0.113 31.588 31.700 0.001 0.000 0.788 363 M N -1.019 118.598 119.600 0.028 0.000 2.117 363 M HA -0.109 4.376 4.480 0.008 0.000 0.262 363 M C 1.927 178.302 176.300 0.125 0.000 1.065 363 M CA 1.767 57.104 55.300 0.061 0.000 1.114 363 M CB -1.275 31.357 32.600 0.053 0.000 1.361 363 M HN -0.203 nan 8.290 nan 0.000 0.408 364 I N -0.291 120.330 120.570 0.085 0.000 2.226 364 I HA -0.273 3.902 4.170 0.008 0.000 0.245 364 I C 2.362 178.521 176.117 0.071 0.000 1.100 364 I CA 1.217 62.565 61.300 0.080 0.000 1.374 364 I CB -0.768 37.255 38.000 0.038 0.000 1.057 364 I HN 0.383 nan 8.210 nan 0.000 0.413 365 A N 0.538 123.394 122.820 0.059 0.000 1.933 365 A HA -0.253 4.072 4.320 0.008 0.000 0.218 365 A C 2.242 179.850 177.584 0.040 0.000 1.175 365 A CA 1.432 53.489 52.037 0.033 0.000 0.628 365 A CB -0.949 18.046 19.000 -0.009 0.000 0.814 365 A HN 0.482 nan 8.150 nan 0.000 0.444 366 F N 0.623 120.542 119.950 -0.050 0.000 2.102 366 F HA -0.119 4.412 4.527 0.007 0.000 0.298 366 F C 1.850 177.615 175.800 -0.058 0.000 1.105 366 F CA 1.722 59.685 58.000 -0.061 0.000 1.239 366 F CB -0.234 38.714 39.000 -0.086 0.000 0.991 366 F HN 0.132 nan 8.300 nan 0.000 0.474 367 L N 0.060 121.317 121.223 0.057 0.000 2.131 367 L HA -0.198 4.147 4.340 0.008 0.000 0.210 367 L C 2.286 179.084 176.870 -0.121 0.000 1.092 367 L CA 1.673 56.486 54.840 -0.044 0.000 0.759 367 L CB -0.706 41.415 42.059 0.103 0.000 0.903 367 L HN 0.239 nan 8.230 nan 0.000 0.435 368 E N -0.239 119.914 120.200 -0.078 0.000 2.051 368 E HA -0.162 4.193 4.350 0.008 0.000 0.189 368 E C 1.709 178.226 176.600 -0.138 0.000 0.979 368 E CA 1.027 57.381 56.400 -0.077 0.000 0.803 368 E CB 0.052 29.731 29.700 -0.036 0.000 0.761 368 E HN 0.411 nan 8.360 nan 0.000 0.451 369 D N 0.356 120.652 120.400 -0.174 0.000 2.123 369 D HA -0.104 4.541 4.640 0.008 0.000 0.200 369 D C 1.683 177.844 176.300 -0.232 0.000 0.976 369 D CA 1.020 54.907 54.000 -0.189 0.000 0.831 369 D CB 0.106 40.822 40.800 -0.140 0.000 0.974 369 D HN 0.127 nan 8.370 nan 0.000 0.469 370 E N -0.516 119.439 120.200 -0.409 0.000 2.364 370 E HA 0.173 4.528 4.350 0.008 0.000 0.203 370 E C 1.924 178.266 176.600 -0.428 0.000 0.888 370 E CA 0.077 56.188 56.400 -0.481 0.000 0.989 370 E CB 0.517 29.674 29.700 -0.906 0.000 0.985 370 E HN 0.258 nan 8.360 nan 0.000 0.499 371 L N 0.831 121.793 121.223 -0.436 0.000 2.693 371 L HA 0.188 4.533 4.340 0.008 0.000 0.235 371 L C -0.109 176.659 176.870 -0.171 0.000 1.127 371 L CA -0.115 54.560 54.840 -0.275 0.000 0.914 371 L CB 0.205 42.115 42.059 -0.248 0.000 1.193 371 L HN -0.156 nan 8.230 nan 0.000 0.502 372 K N 0.358 120.660 120.400 -0.163 0.000 3.071 372 K HA -0.176 4.149 4.320 0.008 0.000 0.265 372 K C -0.343 176.229 176.600 -0.046 0.000 1.060 372 K CA 0.494 56.721 56.287 -0.100 0.000 0.767 372 K CB -2.143 30.303 32.500 -0.090 0.000 1.241 372 K HN 0.153 nan 8.250 nan 0.000 0.486 373 L N 0.775 121.983 121.223 -0.026 0.000 2.436 373 L HA 0.152 4.497 4.340 0.008 0.000 0.265 373 L C 1.321 178.230 176.870 0.064 0.000 1.168 373 L CA 0.326 55.203 54.840 0.063 0.000 0.815 373 L CB 0.911 43.035 42.059 0.108 0.000 1.109 373 L HN 0.322 nan 8.230 nan 0.000 0.462 374 S N 2.004 117.771 115.700 0.110 0.000 2.585 374 S HA 0.168 4.643 4.470 0.008 0.000 0.273 374 S C 1.222 175.819 174.600 -0.005 0.000 1.339 374 S CA -0.271 57.932 58.200 0.005 0.000 1.028 374 S CB 0.580 63.722 63.200 -0.097 0.000 0.906 374 S HN 0.677 nan 8.310 nan 0.000 0.528 375 R N 1.815 122.291 120.500 -0.040 0.000 2.103 375 R HA -0.179 4.166 4.340 0.008 0.000 0.242 375 R C 2.265 178.540 176.300 -0.041 0.000 1.142 375 R CA 1.905 57.986 56.100 -0.032 0.000 0.960 375 R CB -0.451 29.817 30.300 -0.053 0.000 0.858 375 R HN 0.864 nan 8.270 nan 0.000 0.439 376 K N -0.382 119.949 120.400 -0.115 0.000 2.020 376 K HA -0.244 4.081 4.320 0.008 0.000 0.212 376 K C 1.841 178.409 176.600 -0.054 0.000 1.050 376 K CA 2.284 58.486 56.287 -0.141 0.000 0.929 376 K CB -0.257 32.090 32.500 -0.256 0.000 0.714 376 K HN 0.510 nan 8.250 nan 0.000 0.443 377 H N -0.712 118.390 119.070 0.053 0.000 2.326 377 H HA -0.033 4.529 4.556 0.010 0.000 0.301 377 H C 2.129 177.594 175.328 0.229 0.000 1.081 377 H CA 0.929 57.060 56.048 0.139 0.000 1.334 377 H CB -0.051 29.843 29.762 0.221 0.000 1.385 377 H HN 0.405 nan 8.280 nan 0.000 0.504 378 A N 0.700 123.693 122.820 0.288 0.000 1.948 378 A HA -0.183 4.142 4.320 0.008 0.000 0.220 378 A C 2.547 180.243 177.584 0.186 0.000 1.177 378 A CA 1.864 54.037 52.037 0.226 0.000 0.636 378 A CB -0.867 18.207 19.000 0.123 0.000 0.815 378 A HN 0.237 nan 8.150 nan 0.000 0.449 379 V N -0.261 119.717 119.914 0.108 0.000 2.379 379 V HA -0.183 3.942 4.120 0.008 0.000 0.245 379 V C 2.509 178.635 176.094 0.055 0.000 1.044 379 V CA 1.770 64.102 62.300 0.053 0.000 1.036 379 V CB -0.600 31.215 31.823 -0.014 0.000 0.664 379 V HN 0.568 nan 8.190 nan 0.000 0.453 380 L N -1.980 119.263 121.223 0.034 0.000 2.109 380 L HA -0.131 4.214 4.340 0.008 0.000 0.207 380 L C 2.362 179.204 176.870 -0.046 0.000 1.086 380 L CA 1.641 56.447 54.840 -0.057 0.000 0.760 380 L CB -0.473 41.498 42.059 -0.146 0.000 0.910 380 L HN 0.374 nan 8.230 nan 0.000 0.437 381 W N 0.159 121.515 121.300 0.094 0.000 2.388 381 W HA -0.152 4.508 4.660 0.000 0.000 0.294 381 W C 2.677 179.271 176.519 0.125 0.000 1.212 381 W CA 1.233 58.641 57.345 0.106 0.000 1.271 381 W CB -0.410 29.115 29.460 0.108 0.000 1.126 381 W HN -0.012 nan 8.180 nan 0.000 0.535 382 T N -0.027 114.727 114.554 0.333 0.000 2.777 382 T HA -0.174 4.182 4.350 0.008 0.000 0.266 382 T C 1.959 176.782 174.700 0.204 0.000 1.040 382 T CA 1.600 63.845 62.100 0.242 0.000 1.141 382 T CB -0.669 68.299 68.868 0.166 0.000 0.868 382 T HN 0.184 nan 8.240 nan 0.000 0.444 383 A N 1.513 124.421 122.820 0.146 0.000 1.902 383 A HA 0.112 4.437 4.320 0.008 0.000 0.217 383 A C 2.641 180.349 177.584 0.206 0.000 1.181 383 A CA 1.895 54.003 52.037 0.118 0.000 0.623 383 A CB -1.128 17.884 19.000 0.019 0.000 0.818 383 A HN 0.505 nan 8.150 nan 0.000 0.443 384 A N 0.092 123.031 122.820 0.198 0.000 1.877 384 A HA -0.102 4.223 4.320 0.008 0.000 0.216 384 A C 2.118 179.944 177.584 0.403 0.000 1.186 384 A CA 1.596 53.797 52.037 0.273 0.000 0.620 384 A CB -0.670 18.423 19.000 0.155 0.000 0.822 384 A HN 0.516 nan 8.150 nan 0.000 0.443 385 I N -0.507 120.294 120.570 0.385 0.000 2.226 385 I HA -0.200 3.975 4.170 0.008 0.000 0.245 385 I C 2.292 178.658 176.117 0.414 0.000 1.100 385 I CA 1.051 62.595 61.300 0.406 0.000 1.374 385 I CB -0.401 37.819 38.000 0.366 0.000 1.057 385 I HN 0.147 nan 8.210 nan 0.000 0.413 386 V N 0.682 120.804 119.914 0.347 0.000 2.323 386 V HA -0.274 3.851 4.120 0.008 0.000 0.244 386 V C 2.291 178.616 176.094 0.386 0.000 1.041 386 V CA 1.855 64.345 62.300 0.316 0.000 1.025 386 V CB -0.663 31.306 31.823 0.243 0.000 0.656 386 V HN 0.373 nan 8.190 nan 0.000 0.451 387 F N 0.610 120.723 119.950 0.272 0.000 2.134 387 F HA -0.234 4.297 4.527 0.007 0.000 0.299 387 F C 2.109 178.200 175.800 0.486 0.000 1.097 387 F CA 1.896 60.087 58.000 0.318 0.000 1.264 387 F CB -0.532 38.573 39.000 0.175 0.000 1.001 387 F HN 0.197 nan 8.300 nan 0.000 0.479 388 F N 0.894 120.989 119.950 0.243 0.000 2.075 388 F HA -0.166 4.369 4.527 0.013 0.000 0.297 388 F C 2.465 178.343 175.800 0.130 0.000 1.113 388 F CA 2.138 60.208 58.000 0.115 0.000 1.218 388 F CB -1.040 38.053 39.000 0.156 0.000 0.984 388 F HN -0.066 nan 8.300 nan 0.000 0.472 389 S N 0.607 116.359 115.700 0.086 0.000 2.419 389 S HA -0.119 4.356 4.470 0.008 0.000 0.233 389 S C 2.210 176.737 174.600 -0.121 0.000 1.016 389 S CA 0.861 59.029 58.200 -0.053 0.000 0.974 389 S CB -0.836 62.582 63.200 0.364 0.000 0.786 389 S HN 0.551 nan 8.310 nan 0.000 0.492 390 A N 1.009 123.812 122.820 -0.028 0.000 2.125 390 A HA -0.117 4.208 4.320 0.008 0.000 0.219 390 A C 1.599 178.963 177.584 -0.367 0.000 1.156 390 A CA 1.271 53.216 52.037 -0.153 0.000 0.671 390 A CB -0.723 18.238 19.000 -0.064 0.000 0.794 390 A HN 0.523 nan 8.150 nan 0.000 0.459 391 H N -1.270 117.582 119.070 -0.364 0.000 2.421 391 H HA -0.082 4.479 4.556 0.010 0.000 0.298 391 H C 1.796 177.057 175.328 -0.113 0.000 1.087 391 H CA 1.485 57.409 56.048 -0.205 0.000 1.330 391 H CB -0.096 29.498 29.762 -0.279 0.000 1.388 391 H HN 0.397 nan 8.280 nan 0.000 0.526 392 L N -0.064 121.062 121.223 -0.162 0.000 2.083 392 L HA -0.123 4.222 4.340 0.008 0.000 0.209 392 L C 2.064 178.886 176.870 -0.079 0.000 1.083 392 L CA 1.135 55.891 54.840 -0.140 0.000 0.752 392 L CB -0.422 41.485 42.059 -0.253 0.000 0.899 392 L HN 0.125 nan 8.230 nan 0.000 0.433 393 V N -0.859 118.971 119.914 -0.140 0.000 2.453 393 V HA -0.261 3.864 4.120 0.008 0.000 0.247 393 V C 2.443 178.373 176.094 -0.273 0.000 1.048 393 V CA 1.810 64.029 62.300 -0.135 0.000 1.049 393 V CB -0.428 31.339 31.823 -0.094 0.000 0.672 393 V HN 0.396 nan 8.190 nan 0.000 0.457 394 M N -1.572 117.686 119.600 -0.569 0.000 2.319 394 M HA -0.032 4.453 4.480 0.008 0.000 0.265 394 M C 1.679 177.602 176.300 -0.628 0.000 1.068 394 M CA 1.971 56.767 55.300 -0.840 0.000 1.118 394 M CB -0.151 31.744 32.600 -1.175 0.000 1.395 394 M HN 0.334 nan 8.290 nan 0.000 0.435 395 F N -1.236 118.603 119.950 -0.184 0.000 2.740 395 F HA 0.262 4.794 4.527 0.009 0.000 0.304 395 F C 0.331 176.090 175.800 -0.069 0.000 1.098 395 F CA -0.412 57.526 58.000 -0.103 0.000 1.258 395 F CB 0.596 39.541 39.000 -0.091 0.000 1.061 395 F HN -0.101 nan 8.300 nan 0.000 0.598 396 L N 1.436 122.709 121.223 0.084 0.000 2.276 396 L HA 0.415 4.760 4.340 0.008 0.000 0.286 396 L C -0.174 176.706 176.870 0.018 0.000 1.024 396 L CA -0.648 54.215 54.840 0.038 0.000 0.826 396 L CB 0.180 42.246 42.059 0.012 0.000 1.211 396 L HN -0.112 nan 8.230 nan 0.000 0.422 397 N N 4.596 123.306 118.700 0.018 0.000 2.357 397 N HA 0.008 4.753 4.740 0.008 0.000 0.257 397 N C 0.262 175.784 175.510 0.021 0.000 1.250 397 N CA 0.656 53.719 53.050 0.022 0.000 0.862 397 N CB 0.344 38.842 38.487 0.018 0.000 1.066 397 N HN 0.456 nan 8.380 nan 0.000 0.468 398 K N 0.080 120.500 120.400 0.032 0.000 3.500 398 K HA -0.209 4.116 4.320 0.008 0.000 0.313 398 K C 1.067 177.681 176.600 0.023 0.000 1.338 398 K CA 1.014 57.316 56.287 0.025 0.000 0.963 398 K CB -2.018 30.488 32.500 0.010 0.000 1.267 398 K HN 0.542 nan 8.250 nan 0.000 0.448 399 S N 0.583 116.301 115.700 0.029 0.000 2.383 399 S HA 0.005 4.480 4.470 0.008 0.000 0.227 399 S C 1.792 176.411 174.600 0.032 0.000 1.026 399 S CA 1.301 59.525 58.200 0.041 0.000 0.981 399 S CB 0.025 63.245 63.200 0.033 0.000 0.818 399 S HN 0.435 nan 8.310 nan 0.000 0.472 400 L N 1.243 122.476 121.223 0.017 0.000 2.017 400 L HA -0.127 4.218 4.340 0.008 0.000 0.208 400 L C 1.910 178.667 176.870 -0.188 0.000 1.073 400 L CA 2.144 56.942 54.840 -0.070 0.000 0.745 400 L CB -0.566 41.525 42.059 0.052 0.000 0.894 400 L HN 0.218 nan 8.230 nan 0.000 0.432 401 D N -0.362 119.998 120.400 -0.066 0.000 2.123 401 D HA -0.248 4.397 4.640 0.008 0.000 0.196 401 D C 2.062 178.334 176.300 -0.046 0.000 0.992 401 D CA 1.403 55.359 54.000 -0.073 0.000 0.833 401 D CB -0.060 40.714 40.800 -0.043 0.000 0.954 401 D HN 0.364 nan 8.370 nan 0.000 0.455 402 E N 0.038 120.249 120.200 0.019 0.000 2.072 402 E HA -0.078 4.277 4.350 0.008 0.000 0.191 402 E C 2.160 178.925 176.600 0.275 0.000 0.985 402 E CA 0.887 57.383 56.400 0.159 0.000 0.801 402 E CB -0.094 29.721 29.700 0.192 0.000 0.750 402 E HN 0.249 nan 8.360 nan 0.000 0.452 403 M N -0.017 119.663 119.600 0.133 0.000 2.132 403 M HA -0.103 4.382 4.480 0.008 0.000 0.263 403 M C 1.889 178.237 176.300 0.080 0.000 1.065 403 M CA 1.686 57.079 55.300 0.154 0.000 1.122 403 M CB -0.323 32.367 32.600 0.150 0.000 1.365 403 M HN 0.064 nan 8.290 nan 0.000 0.411 404 D N 0.395 120.653 120.400 -0.237 0.000 2.144 404 D HA -0.191 4.454 4.640 0.008 0.000 0.199 404 D C 1.672 178.000 176.300 0.047 0.000 0.984 404 D CA 1.262 55.169 54.000 -0.155 0.000 0.834 404 D CB -0.026 40.578 40.800 -0.326 0.000 0.955 404 D HN 0.281 nan 8.370 nan 0.000 0.465 405 F N -0.684 119.183 119.950 -0.138 0.000 2.074 405 F HA -0.014 4.518 4.527 0.008 0.000 0.293 405 F C 1.758 177.434 175.800 -0.207 0.000 1.116 405 F CA 1.452 59.295 58.000 -0.261 0.000 1.212 405 F CB -0.695 38.026 39.000 -0.466 0.000 0.998 405 F HN 0.017 nan 8.300 nan 0.000 0.471 406 W N 0.153 121.482 121.300 0.048 0.000 2.381 406 W HA -0.013 4.653 4.660 0.009 0.000 0.301 406 W C 2.551 179.109 176.519 0.065 0.000 1.205 406 W CA 1.530 58.889 57.345 0.023 0.000 1.285 406 W CB -0.783 28.856 29.460 0.298 0.000 1.133 406 W HN 0.116 nan 8.180 nan 0.000 0.521 407 A N -0.392 122.581 122.820 0.255 0.000 1.901 407 A HA 0.199 4.524 4.320 0.008 0.000 0.210 407 A C 2.125 179.749 177.584 0.067 0.000 1.208 407 A CA 1.336 53.427 52.037 0.089 0.000 0.644 407 A CB -1.225 17.680 19.000 -0.158 0.000 0.863 407 A HN 0.239 nan 8.150 nan 0.000 0.454 408 G N -1.916 106.992 108.800 0.180 0.000 2.777 408 G HA2 0.244 4.209 3.960 0.008 0.000 0.211 408 G HA3 0.244 4.209 3.960 0.008 0.000 0.211 408 G C 1.136 176.157 174.900 0.202 0.000 1.149 408 G CA 1.487 46.791 45.100 0.339 0.000 0.785 408 G HN 0.427 nan 8.290 nan 0.000 0.536 409 T N 0.153 114.686 114.554 -0.035 0.000 3.272 409 T HA 0.193 4.548 4.350 0.008 0.000 0.247 409 T C 2.162 176.686 174.700 -0.293 0.000 0.990 409 T CA -0.067 61.932 62.100 -0.168 0.000 1.213 409 T CB 0.107 68.812 68.868 -0.271 0.000 1.124 409 T HN -0.041 nan 8.240 nan 0.000 0.401 410 I N 2.186 122.506 120.570 -0.416 0.000 2.162 410 I HA 0.026 4.201 4.170 0.008 0.000 0.238 410 I C 2.941 179.131 176.117 0.123 0.000 1.076 410 I CA 1.771 62.955 61.300 -0.195 0.000 1.353 410 I CB -1.909 35.899 38.000 -0.319 0.000 1.063 410 I HN 0.377 nan 8.210 nan 0.000 0.408 411 G N 1.858 110.720 108.800 0.103 0.000 2.513 411 G HA2 -0.253 3.712 3.960 0.008 0.000 0.219 411 G HA3 -0.253 3.712 3.960 0.008 0.000 0.219 411 G C 1.848 176.796 174.900 0.080 0.000 1.160 411 G CA 2.218 47.418 45.100 0.167 0.000 0.767 411 G HN 0.386 nan 8.290 nan 0.000 0.571 412 V N -0.759 119.084 119.914 -0.118 0.000 2.287 412 V HA -0.193 3.932 4.120 0.008 0.000 0.248 412 V C 2.731 178.638 176.094 -0.312 0.000 1.053 412 V CA 1.987 64.155 62.300 -0.220 0.000 1.027 412 V CB -1.186 30.388 31.823 -0.415 0.000 0.646 412 V HN 0.181 nan 8.190 nan 0.000 0.447 413 V N 0.159 119.714 119.914 -0.599 0.000 2.233 413 V HA -0.243 3.882 4.120 0.008 0.000 0.247 413 V C 2.450 178.386 176.094 -0.263 0.000 1.050 413 V CA 2.750 64.579 62.300 -0.785 0.000 1.010 413 V CB -1.036 30.431 31.823 -0.593 0.000 0.637 413 V HN 0.480 nan 8.190 nan 0.000 0.444 414 F N -0.962 118.936 119.950 -0.086 0.000 2.120 414 F HA -0.234 4.299 4.527 0.009 0.000 0.300 414 F C 2.176 178.012 175.800 0.059 0.000 1.095 414 F CA 2.252 60.246 58.000 -0.011 0.000 1.249 414 F CB -0.659 38.316 39.000 -0.042 0.000 0.995 414 F HN 0.109 nan 8.300 nan 0.000 0.480 415 F N 0.714 120.729 119.950 0.108 0.000 2.163 415 F HA 0.035 4.568 4.527 0.009 0.000 0.297 415 F C 2.406 178.331 175.800 0.209 0.000 1.094 415 F CA 1.192 59.279 58.000 0.145 0.000 1.290 415 F CB -1.123 37.964 39.000 0.144 0.000 1.017 415 F HN -0.070 nan 8.300 nan 0.000 0.483 416 G N 0.637 109.602 108.800 0.274 0.000 2.514 416 G HA2 -0.335 3.630 3.960 0.008 0.000 0.217 416 G HA3 -0.335 3.630 3.960 0.008 0.000 0.217 416 G C 1.653 176.649 174.900 0.160 0.000 1.198 416 G CA 1.144 46.461 45.100 0.361 0.000 0.780 416 G HN 0.403 nan 8.290 nan 0.000 0.565 417 L N 0.860 122.149 121.223 0.110 0.000 2.127 417 L HA -0.020 4.325 4.340 0.008 0.000 0.211 417 L C 2.829 179.658 176.870 -0.069 0.000 1.089 417 L CA 2.646 57.490 54.840 0.007 0.000 0.757 417 L CB -0.858 41.178 42.059 -0.039 0.000 0.899 417 L HN 0.221 nan 8.230 nan 0.000 0.434 418 T N -0.075 114.445 114.554 -0.058 0.000 2.770 418 T HA -0.149 4.206 4.350 0.008 0.000 0.263 418 T C 1.597 176.140 174.700 -0.261 0.000 1.039 418 T CA 1.349 63.376 62.100 -0.122 0.000 1.142 418 T CB -0.204 68.669 68.868 0.008 0.000 0.868 418 T HN 0.681 nan 8.240 nan 0.000 0.435 419 E N 1.422 121.457 120.200 -0.275 0.000 2.118 419 E HA -0.130 4.225 4.350 0.008 0.000 0.195 419 E C 2.304 178.850 176.600 -0.089 0.000 0.992 419 E CA 0.963 57.210 56.400 -0.255 0.000 0.804 419 E CB -0.663 28.966 29.700 -0.117 0.000 0.741 419 E HN 0.393 nan 8.360 nan 0.000 0.458 420 L N 0.832 122.052 121.223 -0.004 0.000 1.994 420 L HA -0.154 4.191 4.340 0.008 0.000 0.208 420 L C 2.631 179.552 176.870 0.086 0.000 1.071 420 L CA 1.309 56.224 54.840 0.126 0.000 0.745 420 L CB -0.148 41.944 42.059 0.056 0.000 0.892 420 L HN 0.168 nan 8.230 nan 0.000 0.431 421 I N -0.233 120.243 120.570 -0.157 0.000 2.208 421 I HA -0.361 3.814 4.170 0.008 0.000 0.245 421 I C 2.346 178.390 176.117 -0.122 0.000 1.097 421 I CA 1.561 62.681 61.300 -0.301 0.000 1.363 421 I CB -0.238 37.508 38.000 -0.424 0.000 1.051 421 I HN 0.287 nan 8.210 nan 0.000 0.413 422 I N -0.536 119.911 120.570 -0.205 0.000 2.394 422 I HA -0.282 3.893 4.170 0.008 0.000 0.251 422 I C 2.382 178.531 176.117 0.053 0.000 1.136 422 I CA 1.267 62.432 61.300 -0.224 0.000 1.425 422 I CB -0.269 37.428 38.000 -0.504 0.000 1.079 422 I HN 0.178 nan 8.210 nan 0.000 0.425 423 F N 0.877 120.783 119.950 -0.074 0.000 2.123 423 F HA -0.010 4.523 4.527 0.009 0.000 0.289 423 F C 1.859 177.680 175.800 0.035 0.000 1.099 423 F CA 1.258 59.227 58.000 -0.052 0.000 1.234 423 F CB -0.438 38.531 39.000 -0.052 0.000 1.034 423 F HN -0.142 nan 8.300 nan 0.000 0.479 424 F N -2.068 117.975 119.950 0.155 0.000 2.732 424 F HA 0.036 4.568 4.527 0.008 0.000 0.303 424 F C 0.633 176.520 175.800 0.145 0.000 1.110 424 F CA 0.172 58.209 58.000 0.062 0.000 1.355 424 F CB -0.085 38.986 39.000 0.119 0.000 1.081 424 F HN 0.014 nan 8.300 nan 0.000 0.565 425 W N -1.645 119.632 121.300 -0.038 0.000 4.654 425 W HA 0.285 4.950 4.660 0.008 0.000 0.196 425 W C 1.900 178.358 176.519 -0.103 0.000 0.957 425 W CA -0.191 57.099 57.345 -0.091 0.000 2.022 425 W CB -0.638 28.757 29.460 -0.108 0.000 0.791 425 W HN -0.294 nan 8.180 nan 0.000 0.953 426 I N -0.058 120.595 120.570 0.138 0.000 2.193 426 I HA -0.252 3.923 4.170 0.008 0.000 0.240 426 I C 2.316 178.490 176.117 0.095 0.000 1.084 426 I CA 1.582 62.893 61.300 0.020 0.000 1.365 426 I CB -0.619 37.236 38.000 -0.241 0.000 1.064 426 I HN -0.114 nan 8.210 nan 0.000 0.410 427 F N 1.734 121.666 119.950 -0.030 0.000 2.134 427 F HA 0.067 4.599 4.527 0.009 0.000 0.299 427 F C 1.062 176.786 175.800 -0.126 0.000 1.097 427 F CA 1.306 59.275 58.000 -0.052 0.000 1.264 427 F CB -0.141 38.808 39.000 -0.086 0.000 1.001 427 F HN 0.084 nan 8.300 nan 0.000 0.479 428 G N -0.879 107.795 108.800 -0.210 0.000 2.897 428 G HA2 0.311 4.276 3.960 0.008 0.000 0.392 428 G HA3 0.311 4.276 3.960 0.008 0.000 0.392 428 G C 0.404 175.113 174.900 -0.319 0.000 1.263 428 G CA -0.388 44.522 45.100 -0.318 0.000 1.185 428 G HN 0.608 nan 8.290 nan 0.000 0.573 429 A N 1.833 124.499 122.820 -0.256 0.000 1.927 429 A HA -0.125 4.200 4.320 0.008 0.000 0.220 429 A C 2.098 179.600 177.584 -0.137 0.000 1.185 429 A CA 2.780 54.678 52.037 -0.231 0.000 0.639 429 A CB -0.274 18.586 19.000 -0.234 0.000 0.820 429 A HN 0.642 nan 8.150 nan 0.000 0.451 430 D N -0.727 119.642 120.400 -0.052 0.000 2.097 430 D HA -0.080 4.565 4.640 0.008 0.000 0.197 430 D C 2.008 178.301 176.300 -0.011 0.000 0.984 430 D CA 1.395 55.426 54.000 0.052 0.000 0.826 430 D CB -0.267 40.528 40.800 -0.009 0.000 0.973 430 D HN 0.510 nan 8.370 nan 0.000 0.460 431 K N 0.469 120.769 120.400 -0.167 0.000 2.097 431 K HA -0.030 4.295 4.320 0.008 0.000 0.206 431 K C 2.057 178.591 176.600 -0.109 0.000 1.049 431 K CA 1.065 57.256 56.287 -0.160 0.000 0.933 431 K CB -0.027 32.212 32.500 -0.435 0.000 0.717 431 K HN 0.020 nan 8.250 nan 0.000 0.442 432 A N 1.286 123.866 122.820 -0.400 0.000 1.873 432 A HA -0.193 4.132 4.320 0.008 0.000 0.215 432 A C 1.918 179.219 177.584 -0.472 0.000 1.186 432 A CA 1.078 52.516 52.037 -0.998 0.000 0.616 432 A CB -0.965 16.641 19.000 -2.322 0.000 0.823 432 A HN 0.618 nan 8.150 nan 0.000 0.442 433 W N 0.898 121.971 121.300 -0.378 0.000 2.342 433 W HA -0.190 4.475 4.660 0.008 0.000 0.297 433 W C 1.874 178.389 176.519 -0.007 0.000 1.213 433 W CA 2.044 59.384 57.345 -0.008 0.000 1.251 433 W CB -0.093 29.497 29.460 0.217 0.000 1.136 433 W HN 0.631 nan 8.180 nan 0.000 0.526 434 E N 0.540 120.764 120.200 0.039 0.000 2.046 434 E HA -0.291 4.064 4.350 0.008 0.000 0.190 434 E C 2.013 178.578 176.600 -0.058 0.000 0.982 434 E CA 1.656 58.041 56.400 -0.025 0.000 0.800 434 E CB -0.324 29.404 29.700 0.046 0.000 0.756 434 E HN 0.203 nan 8.360 nan 0.000 0.449 435 E N 0.777 120.982 120.200 0.007 0.000 2.085 435 E HA -0.184 4.171 4.350 0.008 0.000 0.194 435 E C 1.961 178.583 176.600 0.036 0.000 0.994 435 E CA 1.566 58.013 56.400 0.079 0.000 0.801 435 E CB -0.238 29.570 29.700 0.180 0.000 0.743 435 E HN 0.388 nan 8.360 nan 0.000 0.453 436 I N 0.725 121.283 120.570 -0.020 0.000 2.361 436 I HA -0.210 3.965 4.170 0.008 0.000 0.251 436 I C 1.770 177.716 176.117 -0.285 0.000 1.133 436 I CA 0.803 62.051 61.300 -0.087 0.000 1.413 436 I CB -0.281 37.664 38.000 -0.091 0.000 1.073 436 I HN 0.190 nan 8.210 nan 0.000 0.424 437 N N 0.641 119.122 118.700 -0.365 0.000 2.356 437 N HA 0.005 4.750 4.740 0.008 0.000 0.178 437 N C 0.836 176.226 175.510 -0.200 0.000 1.075 437 N CA 0.034 52.851 53.050 -0.389 0.000 0.889 437 N CB 0.151 38.327 38.487 -0.518 0.000 0.999 437 N HN 0.249 nan 8.380 nan 0.000 0.464 438 R N 0.618 121.050 120.500 -0.113 0.000 2.502 438 R HA 0.101 4.446 4.340 0.008 0.000 0.292 438 R C 0.800 177.084 176.300 -0.027 0.000 0.998 438 R CA 1.122 57.197 56.100 -0.042 0.000 1.056 438 R CB -0.083 30.225 30.300 0.013 0.000 0.939 438 R HN 0.266 nan 8.270 nan 0.000 0.411 439 G N 2.641 111.429 108.800 -0.020 0.000 2.148 439 G HA2 -0.254 3.711 3.960 0.008 0.000 0.254 439 G HA3 -0.254 3.711 3.960 0.008 0.000 0.254 439 G C 0.318 175.201 174.900 -0.029 0.000 0.981 439 G CA -0.011 45.085 45.100 -0.006 0.000 0.670 439 G HN 0.941 nan 8.290 nan 0.000 0.528 440 G N -0.245 108.512 108.800 -0.071 0.000 2.367 440 G HA2 0.483 4.448 3.960 0.008 0.000 0.280 440 G HA3 0.483 4.448 3.960 0.008 0.000 0.280 440 G C 1.230 176.085 174.900 -0.074 0.000 1.175 440 G CA -0.012 45.025 45.100 -0.104 0.000 1.001 440 G HN 0.432 nan 8.290 nan 0.000 0.437 441 I N 2.079 122.614 120.570 -0.057 0.000 2.264 441 I HA -0.106 4.069 4.170 0.008 0.000 0.248 441 I C 1.481 177.570 176.117 -0.047 0.000 1.111 441 I CA 1.254 62.530 61.300 -0.040 0.000 1.382 441 I CB -0.214 37.768 38.000 -0.030 0.000 1.060 441 I HN 0.602 nan 8.210 nan 0.000 0.418 442 I N -3.200 117.329 120.570 -0.069 0.000 3.206 442 I HA 0.505 4.680 4.170 0.008 0.000 0.313 442 I C -0.791 175.247 176.117 -0.131 0.000 1.103 442 I CA -0.990 60.267 61.300 -0.072 0.000 0.985 442 I CB 1.857 39.830 38.000 -0.045 0.000 1.240 442 I HN -0.313 nan 8.210 nan 0.000 0.464 443 K N 2.159 122.482 120.400 -0.128 0.000 2.208 443 K HA 0.508 4.833 4.320 0.008 0.000 0.247 443 K C -1.027 175.423 176.600 -0.249 0.000 0.953 443 K CA -0.864 55.302 56.287 -0.202 0.000 0.837 443 K CB 2.595 35.026 32.500 -0.115 0.000 1.131 443 K HN 0.520 nan 8.250 nan 0.000 0.431 444 V N 3.670 123.313 119.914 -0.451 0.000 2.521 444 V HA 0.065 4.190 4.120 0.008 0.000 0.286 444 V C -2.064 174.060 176.094 0.049 0.000 1.034 444 V CA -1.369 60.638 62.300 -0.489 0.000 1.045 444 V CB 0.322 31.576 31.823 -0.948 0.000 0.974 444 V HN 0.519 nan 8.190 nan 0.000 0.480 445 P HA 0.035 nan 4.420 nan 0.000 0.257 445 P C 0.958 178.523 177.300 0.442 0.000 1.227 445 P CA 0.169 63.454 63.100 0.309 0.000 0.981 445 P CB 0.108 32.013 31.700 0.341 0.000 1.044 446 R N 4.584 125.338 120.500 0.423 0.000 2.346 446 R HA -0.319 4.026 4.340 0.008 0.000 0.244 446 R C 1.775 178.187 176.300 0.187 0.000 1.074 446 R CA 2.635 58.917 56.100 0.303 0.000 0.910 446 R CB -1.415 28.972 30.300 0.145 0.000 0.970 446 R HN 0.402 nan 8.270 nan 0.000 0.432 447 I N -0.169 120.516 120.570 0.193 0.000 2.182 447 I HA -0.383 3.792 4.170 0.008 0.000 0.248 447 I C 1.771 177.998 176.117 0.184 0.000 1.073 447 I CA 2.124 63.519 61.300 0.158 0.000 1.335 447 I CB -0.272 37.732 38.000 0.006 0.000 1.031 447 I HN 0.427 nan 8.210 nan 0.000 0.420 448 Y N -0.717 119.728 120.300 0.242 0.000 2.241 448 Y HA -0.380 4.176 4.550 0.009 0.000 0.286 448 Y C 2.401 178.399 175.900 0.164 0.000 1.166 448 Y CA 2.298 60.555 58.100 0.261 0.000 1.203 448 Y CB -0.726 37.984 38.460 0.417 0.000 0.977 448 Y HN 0.412 nan 8.280 nan 0.000 0.529 449 Y N -0.677 119.574 120.300 -0.081 0.000 2.139 449 Y HA -0.410 4.145 4.550 0.009 0.000 0.282 449 Y C 1.681 177.356 175.900 -0.375 0.000 1.179 449 Y CA 1.916 59.688 58.100 -0.547 0.000 1.161 449 Y CB -0.719 36.872 38.460 -1.448 0.000 0.970 449 Y HN 0.152 nan 8.280 nan 0.000 0.511 450 Y N -1.583 118.821 120.300 0.173 0.000 2.475 450 Y HA -0.053 4.502 4.550 0.009 0.000 0.289 450 Y C 2.231 178.207 175.900 0.127 0.000 1.121 450 Y CA 0.915 59.138 58.100 0.205 0.000 1.257 450 Y CB -0.289 38.267 38.460 0.160 0.000 1.026 450 Y HN -0.023 nan 8.280 nan 0.000 0.555 451 V N 0.196 120.217 119.914 0.180 0.000 3.129 451 V HA -0.216 3.909 4.120 0.008 0.000 0.259 451 V C 1.643 177.770 176.094 0.055 0.000 1.116 451 V CA 1.536 63.903 62.300 0.112 0.000 1.127 451 V CB -0.533 31.322 31.823 0.053 0.000 0.742 451 V HN 0.481 nan 8.190 nan 0.000 0.474 452 M N -0.540 119.014 119.600 -0.076 0.000 2.514 452 M HA 0.233 4.718 4.480 0.008 0.000 0.258 452 M C 2.093 178.219 176.300 -0.290 0.000 1.159 452 M CA 0.671 55.809 55.300 -0.270 0.000 1.116 452 M CB -0.175 32.044 32.600 -0.636 0.000 1.333 452 M HN 0.097 nan 8.290 nan 0.000 0.487 453 R N -0.134 120.177 120.500 -0.315 0.000 2.276 453 R HA 0.063 4.408 4.340 0.008 0.000 0.196 453 R C 0.338 176.382 176.300 -0.427 0.000 0.961 453 R CA 1.199 57.068 56.100 -0.385 0.000 1.024 453 R CB 0.293 30.119 30.300 -0.789 0.000 0.940 453 R HN 0.399 nan 8.270 nan 0.000 0.480 454 Y N -2.539 117.861 120.300 0.166 0.000 3.189 454 Y HA 0.187 4.742 4.550 0.009 0.000 0.213 454 Y C 1.544 177.534 175.900 0.149 0.000 1.032 454 Y CA -0.578 57.649 58.100 0.211 0.000 1.482 454 Y CB 0.105 38.661 38.460 0.159 0.000 1.460 454 Y HN -0.197 nan 8.280 nan 0.000 0.398 455 I N 0.771 121.507 120.570 0.277 0.000 2.060 455 I HA -0.247 3.928 4.170 0.008 0.000 0.233 455 I C 2.039 178.258 176.117 0.170 0.000 1.054 455 I CA 2.169 63.582 61.300 0.189 0.000 1.318 455 I CB -1.630 36.437 38.000 0.111 0.000 1.054 455 I HN 0.255 nan 8.210 nan 0.000 0.395 456 T N 2.782 117.392 114.554 0.093 0.000 2.592 456 T HA -0.145 4.210 4.350 0.008 0.000 0.267 456 T C -0.345 174.432 174.700 0.127 0.000 1.060 456 T CA 2.501 64.646 62.100 0.075 0.000 1.167 456 T CB -1.727 67.149 68.868 0.012 0.000 0.863 456 T HN 0.327 nan 8.240 nan 0.000 0.431 457 P HA -0.060 nan 4.420 nan 0.000 0.215 457 P C 1.497 178.820 177.300 0.039 0.000 1.153 457 P CA 1.671 64.768 63.100 -0.004 0.000 0.853 457 P CB -0.250 31.376 31.700 -0.124 0.000 0.788 458 A N -0.326 122.558 122.820 0.107 0.000 1.858 458 A HA -0.198 4.127 4.320 0.008 0.000 0.216 458 A C 2.214 179.866 177.584 0.113 0.000 1.190 458 A CA 1.477 53.577 52.037 0.104 0.000 0.617 458 A CB -1.911 17.175 19.000 0.144 0.000 0.827 458 A HN 0.058 nan 8.150 nan 0.000 0.443 459 F N 0.487 120.450 119.950 0.022 0.000 2.063 459 F HA -0.269 4.262 4.527 0.008 0.000 0.298 459 F C 2.129 177.955 175.800 0.043 0.000 1.105 459 F CA 2.207 60.223 58.000 0.028 0.000 1.215 459 F CB -0.282 38.746 39.000 0.047 0.000 0.972 459 F HN 0.154 nan 8.300 nan 0.000 0.483 460 L N -0.961 120.409 121.223 0.244 0.000 2.056 460 L HA -0.203 4.142 4.340 0.008 0.000 0.207 460 L C 2.743 179.617 176.870 0.007 0.000 1.078 460 L CA 1.067 55.994 54.840 0.145 0.000 0.749 460 L CB -1.232 40.910 42.059 0.139 0.000 0.901 460 L HN 0.207 nan 8.230 nan 0.000 0.433 461 A N -0.025 122.780 122.820 -0.025 0.000 1.883 461 A HA -0.181 4.144 4.320 0.008 0.000 0.217 461 A C 2.360 179.886 177.584 -0.096 0.000 1.186 461 A CA 2.012 54.002 52.037 -0.078 0.000 0.624 461 A CB -0.952 18.008 19.000 -0.067 0.000 0.822 461 A HN 0.186 nan 8.150 nan 0.000 0.444 462 V N -0.129 119.730 119.914 -0.093 0.000 2.287 462 V HA -0.280 3.845 4.120 0.008 0.000 0.248 462 V C 2.485 178.514 176.094 -0.109 0.000 1.053 462 V CA 2.145 64.369 62.300 -0.126 0.000 1.027 462 V CB -0.966 30.742 31.823 -0.191 0.000 0.646 462 V HN 0.641 nan 8.190 nan 0.000 0.447 463 L N -0.015 121.173 121.223 -0.059 0.000 1.944 463 L HA -0.197 4.148 4.340 0.008 0.000 0.218 463 L C 2.254 179.192 176.870 0.113 0.000 1.075 463 L CA 2.067 56.978 54.840 0.119 0.000 0.767 463 L CB -0.766 41.404 42.059 0.185 0.000 0.890 463 L HN 0.204 nan 8.230 nan 0.000 0.434 464 L N -1.203 120.039 121.223 0.030 0.000 2.197 464 L HA -0.267 4.078 4.340 0.008 0.000 0.215 464 L C 2.332 178.785 176.870 -0.694 0.000 1.095 464 L CA 1.083 55.738 54.840 -0.308 0.000 0.764 464 L CB -0.597 41.233 42.059 -0.382 0.000 0.897 464 L HN 0.279 nan 8.230 nan 0.000 0.436 465 V N -1.407 118.264 119.914 -0.405 0.000 2.331 465 V HA -0.165 3.960 4.120 0.008 0.000 0.242 465 V C 2.266 178.152 176.094 -0.346 0.000 1.034 465 V CA 0.917 63.013 62.300 -0.340 0.000 1.027 465 V CB 0.388 32.099 31.823 -0.186 0.000 0.667 465 V HN 0.078 nan 8.190 nan 0.000 0.457 466 V N 1.274 121.052 119.914 -0.228 0.000 2.223 466 V HA -0.325 3.800 4.120 0.008 0.000 0.246 466 V C 2.396 178.439 176.094 -0.085 0.000 1.045 466 V CA 2.933 65.175 62.300 -0.097 0.000 1.004 466 V CB -1.026 30.811 31.823 0.023 0.000 0.641 466 V HN 0.868 nan 8.190 nan 0.000 0.457 467 W N 0.989 122.293 121.300 0.006 0.000 2.350 467 W HA -0.120 4.545 4.660 0.008 0.000 0.289 467 W C 2.168 178.713 176.519 0.042 0.000 1.215 467 W CA 1.297 58.658 57.345 0.027 0.000 1.236 467 W CB -1.424 28.055 29.460 0.032 0.000 1.130 467 W HN 0.330 nan 8.180 nan 0.000 0.541 468 A N 1.469 123.761 122.820 -0.880 0.000 2.125 468 A HA -0.140 4.185 4.320 0.008 0.000 0.219 468 A C 2.178 179.618 177.584 -0.239 0.000 1.156 468 A CA 1.482 53.096 52.037 -0.704 0.000 0.671 468 A CB -0.937 17.519 19.000 -0.907 0.000 0.794 468 A HN 0.367 nan 8.150 nan 0.000 0.459 469 R N -0.381 120.020 120.500 -0.165 0.000 2.105 469 R HA -0.109 4.236 4.340 0.008 0.000 0.239 469 R C 0.243 176.538 176.300 -0.007 0.000 1.135 469 R CA 1.593 57.652 56.100 -0.069 0.000 0.967 469 R CB 0.018 30.292 30.300 -0.043 0.000 0.861 469 R HN 0.694 nan 8.270 nan 0.000 0.442 478 E N 0.750 121.015 120.200 0.109 0.000 2.281 478 E HA 0.629 4.984 4.350 0.008 0.000 0.255 478 E C -0.948 175.719 176.600 0.111 0.000 1.229 478 E CA -0.785 55.701 56.400 0.143 0.000 0.908 478 E CB 2.240 32.020 29.700 0.133 0.000 1.670 478 E HN 0.156 nan 8.360 nan 0.000 0.480 479 T N -1.113 113.524 114.554 0.138 0.000 3.017 479 T HA 0.080 4.435 4.350 0.008 0.000 0.333 479 T C -1.755 173.059 174.700 0.192 0.000 1.812 479 T CA -0.609 61.558 62.100 0.111 0.000 1.027 479 T CB -0.092 68.796 68.868 0.033 0.000 1.933 479 T HN 0.706 nan 8.240 nan 0.000 0.536 480 H N 2.980 122.073 119.070 0.039 0.000 3.163 480 H HA 0.018 4.580 4.556 0.009 0.000 0.321 480 H C 1.566 176.950 175.328 0.094 0.000 1.006 480 H CA 1.250 57.313 56.048 0.025 0.000 1.344 480 H CB 0.364 30.070 29.762 -0.094 0.000 1.272 480 H HN 0.622 nan 8.280 nan 0.000 0.594 481 W N 3.706 124.915 121.300 -0.152 0.000 2.721 481 W HA -0.104 4.560 4.660 0.007 0.000 0.245 481 W C 0.703 177.209 176.519 -0.021 0.000 1.276 481 W CA 0.917 58.257 57.345 -0.009 0.000 1.342 481 W CB -0.969 28.460 29.460 -0.050 0.000 1.135 481 W HN 0.594 nan 8.180 nan 0.000 0.654 482 T N -0.329 113.712 114.554 -0.854 0.000 3.043 482 T HA -0.114 4.241 4.350 0.008 0.000 0.263 482 T C 2.028 176.629 174.700 -0.164 0.000 1.094 482 T CA 1.282 62.953 62.100 -0.714 0.000 1.127 482 T CB -0.866 67.548 68.868 -0.758 0.000 0.905 482 T HN 0.148 nan 8.240 nan 0.000 0.490 483 V N -1.999 117.867 119.914 -0.080 0.000 2.490 483 V HA -0.058 4.067 4.120 0.008 0.000 0.250 483 V C 2.149 178.240 176.094 -0.005 0.000 1.061 483 V CA 0.881 63.151 62.300 -0.050 0.000 1.064 483 V CB -1.467 30.283 31.823 -0.122 0.000 0.670 483 V HN 0.602 nan 8.190 nan 0.000 0.461 484 W N 0.174 121.547 121.300 0.121 0.000 2.425 484 W HA 0.128 4.792 4.660 0.008 0.000 0.277 484 W C 2.332 178.975 176.519 0.206 0.000 1.231 484 W CA 0.959 58.405 57.345 0.168 0.000 1.248 484 W CB -0.180 29.384 29.460 0.174 0.000 1.117 484 W HN 0.220 nan 8.180 nan 0.000 0.568 485 I N -0.572 120.225 120.570 0.378 0.000 2.202 485 I HA -0.295 3.880 4.170 0.008 0.000 0.242 485 I C 2.266 178.600 176.117 0.361 0.000 1.091 485 I CA 1.469 62.969 61.300 0.334 0.000 1.368 485 I CB -1.007 37.100 38.000 0.179 0.000 1.058 485 I HN -0.162 nan 8.210 nan 0.000 0.410 486 T N 0.351 115.056 114.554 0.251 0.000 2.777 486 T HA -0.110 4.245 4.350 0.008 0.000 0.266 486 T C 2.031 176.914 174.700 0.305 0.000 1.040 486 T CA 1.113 63.366 62.100 0.255 0.000 1.141 486 T CB -0.198 68.777 68.868 0.178 0.000 0.868 486 T HN 0.262 nan 8.240 nan 0.000 0.444 487 R N -0.022 120.629 120.500 0.253 0.000 2.096 487 R HA -0.034 4.311 4.340 0.008 0.000 0.235 487 R C 2.175 178.652 176.300 0.295 0.000 1.127 487 R CA 1.254 57.460 56.100 0.178 0.000 0.968 487 R CB -0.469 29.834 30.300 0.005 0.000 0.861 487 R HN 0.358 nan 8.270 nan 0.000 0.440 488 F N 0.379 120.495 119.950 0.276 0.000 2.102 488 F HA -0.262 4.270 4.527 0.008 0.000 0.298 488 F C 2.142 178.088 175.800 0.244 0.000 1.105 488 F CA 1.335 59.487 58.000 0.255 0.000 1.239 488 F CB -0.623 38.536 39.000 0.264 0.000 0.991 488 F HN -0.045 nan 8.300 nan 0.000 0.474 489 Y N 1.507 121.868 120.300 0.102 0.000 2.145 489 Y HA -0.208 4.347 4.550 0.007 0.000 0.286 489 Y C 2.291 178.230 175.900 0.065 0.000 1.145 489 Y CA 2.379 60.479 58.100 -0.000 0.000 1.148 489 Y CB -0.711 37.826 38.460 0.129 0.000 0.981 489 Y HN 0.281 nan 8.280 nan 0.000 0.507 490 I N -2.460 118.223 120.570 0.188 0.000 2.546 490 I HA -0.122 4.053 4.170 0.008 0.000 0.255 490 I C 2.041 178.373 176.117 0.358 0.000 1.163 490 I CA 1.288 62.768 61.300 0.300 0.000 1.457 490 I CB -0.636 37.629 38.000 0.442 0.000 1.092 490 I HN 0.126 nan 8.210 nan 0.000 0.434 491 I N 2.388 123.024 120.570 0.109 0.000 2.286 491 I HA -0.156 4.019 4.170 0.008 0.000 0.248 491 I C 2.775 178.839 176.117 -0.087 0.000 1.115 491 I CA 1.597 62.862 61.300 -0.057 0.000 1.392 491 I CB -0.768 37.182 38.000 -0.084 0.000 1.065 491 I HN 0.386 nan 8.210 nan 0.000 0.418 492 G N 0.950 109.622 108.800 -0.213 0.000 2.418 492 G HA2 -0.206 3.759 3.960 0.008 0.000 0.217 492 G HA3 -0.206 3.759 3.960 0.008 0.000 0.217 492 G C 1.712 176.545 174.900 -0.111 0.000 1.158 492 G CA 0.471 45.412 45.100 -0.265 0.000 0.771 492 G HN 0.259 nan 8.290 nan 0.000 0.545 493 L N -0.928 120.242 121.223 -0.089 0.000 2.042 493 L HA -0.054 4.291 4.340 0.008 0.000 0.210 493 L C 2.559 179.566 176.870 0.227 0.000 1.076 493 L CA 1.160 56.080 54.840 0.133 0.000 0.749 493 L CB -0.401 41.775 42.059 0.194 0.000 0.893 493 L HN 0.253 nan 8.230 nan 0.000 0.432 494 F N 0.398 120.331 119.950 -0.028 0.000 2.069 494 F HA -0.309 4.223 4.527 0.009 0.000 0.298 494 F C 2.386 178.040 175.800 -0.243 0.000 1.113 494 F CA 1.767 59.545 58.000 -0.370 0.000 1.214 494 F CB -0.216 38.276 39.000 -0.848 0.000 0.978 494 F HN -0.079 nan 8.300 nan 0.000 0.474 495 L N -0.460 120.808 121.223 0.075 0.000 2.089 495 L HA -0.273 4.072 4.340 0.008 0.000 0.213 495 L C 2.186 179.070 176.870 0.024 0.000 1.079 495 L CA 2.021 56.879 54.840 0.030 0.000 0.758 495 L CB -0.938 41.121 42.059 0.000 0.000 0.891 495 L HN 0.316 nan 8.230 nan 0.000 0.433 496 F N -0.646 119.246 119.950 -0.097 0.000 2.187 496 F HA -0.076 4.456 4.527 0.008 0.000 0.295 496 F C 1.885 177.641 175.800 -0.073 0.000 1.091 496 F CA 1.438 59.415 58.000 -0.038 0.000 1.308 496 F CB -0.330 38.640 39.000 -0.049 0.000 1.030 496 F HN -0.001 nan 8.300 nan 0.000 0.487 497 L N -0.356 120.565 121.223 -0.504 0.000 2.141 497 L HA -0.166 4.179 4.340 0.008 0.000 0.209 497 L C 2.267 178.762 176.870 -0.625 0.000 1.094 497 L CA 1.557 55.964 54.840 -0.720 0.000 0.763 497 L CB -1.051 40.645 42.059 -0.605 0.000 0.908 497 L HN 0.136 nan 8.230 nan 0.000 0.437 498 T N -0.319 113.916 114.554 -0.533 0.000 2.821 498 T HA -0.181 4.174 4.350 0.008 0.000 0.267 498 T C 1.582 176.209 174.700 -0.121 0.000 1.046 498 T CA 1.128 63.004 62.100 -0.373 0.000 1.139 498 T CB -0.257 68.433 68.868 -0.297 0.000 0.871 498 T HN 0.204 nan 8.240 nan 0.000 0.454 499 F N 1.959 121.766 119.950 -0.238 0.000 2.146 499 F HA 0.063 4.593 4.527 0.006 0.000 0.298 499 F C 1.853 177.619 175.800 -0.058 0.000 1.096 499 F CA 0.806 58.726 58.000 -0.133 0.000 1.275 499 F CB -0.687 38.248 39.000 -0.108 0.000 1.008 499 F HN 0.053 nan 8.300 nan 0.000 0.480 500 L N -0.699 120.293 121.223 -0.386 0.000 2.083 500 L HA -0.225 4.120 4.340 0.008 0.000 0.209 500 L C 2.388 179.196 176.870 -0.102 0.000 1.083 500 L CA 1.070 55.692 54.840 -0.363 0.000 0.752 500 L CB -0.944 40.873 42.059 -0.403 0.000 0.899 500 L HN 0.023 nan 8.230 nan 0.000 0.433 501 V N -0.283 119.568 119.914 -0.106 0.000 2.358 501 V HA -0.317 3.808 4.120 0.008 0.000 0.246 501 V C 2.237 178.319 176.094 -0.020 0.000 1.047 501 V CA 1.928 64.237 62.300 0.014 0.000 1.035 501 V CB -0.618 31.131 31.823 -0.124 0.000 0.658 501 V HN 0.388 nan 8.190 nan 0.000 0.452 502 F N 0.343 120.191 119.950 -0.170 0.000 2.161 502 F HA -0.194 4.337 4.527 0.007 0.000 0.300 502 F C 1.950 177.633 175.800 -0.195 0.000 1.089 502 F CA 1.674 59.587 58.000 -0.145 0.000 1.282 502 F CB -0.095 38.868 39.000 -0.060 0.000 1.010 502 F HN 0.058 nan 8.300 nan 0.000 0.485 503 L N -0.078 121.056 121.223 -0.148 0.000 2.240 503 L HA -0.022 4.323 4.340 0.008 0.000 0.211 503 L C 2.604 179.322 176.870 -0.254 0.000 1.106 503 L CA 0.747 55.436 54.840 -0.251 0.000 0.793 503 L CB -0.915 40.948 42.059 -0.327 0.000 0.927 503 L HN 0.219 nan 8.230 nan 0.000 0.446 504 A N -0.486 122.206 122.820 -0.212 0.000 2.239 504 A HA -0.105 4.220 4.320 0.008 0.000 0.209 504 A C 1.852 179.300 177.584 -0.226 0.000 1.171 504 A CA 0.728 52.635 52.037 -0.217 0.000 0.768 504 A CB -0.357 18.510 19.000 -0.221 0.000 0.790 504 A HN 0.400 nan 8.150 nan 0.000 0.478 505 E N -1.205 118.825 120.200 -0.284 0.000 2.502 505 E HA 0.118 4.473 4.350 0.008 0.000 0.194 505 E C 0.439 176.888 176.600 -0.251 0.000 1.062 505 E CA 0.003 56.226 56.400 -0.294 0.000 0.867 505 E CB 0.121 29.587 29.700 -0.390 0.000 0.888 505 E HN 0.476 nan 8.360 nan 0.000 0.510 506 R N 0.000 120.367 120.500 -0.222 0.000 2.786 506 R HA 0.000 4.345 4.340 0.008 0.000 0.208 506 R CA 0.000 56.002 56.100 -0.164 0.000 0.921 506 R CB 0.000 30.202 30.300 -0.163 0.000 0.687 506 R HN 0.000 nan 8.270 nan 0.000 0.535