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 1ya4_1_A DATA FIRST_RESID 22 DATA SEQUENCE SPPVVDTVHG KVLGKFVSLE GFAQPVAIFL GIPFAKPPLG PLRFTPPQPA DATA SEQUENCE EPWSFVKNAT SYPPMcTQDP KAGQLLSELF TNRKENIPLK LSEDcLYLNI DATA SEQUENCE YTPADLTKKN RLPVMVWIHG GGLMVGAAST YDGLALAAHE NVVVVTIQYR DATA SEQUENCE LGIWGFFSTG DEHSRGNWGH LDQVAALRWV QDNIASFGGN PGSVTIFGES DATA SEQUENCE AGGESVSVLV LSPLAKNLFH RAISESGVAL TSVLVKKGDV KPLAEQIAIT DATA SEQUENCE AGcKTTTSAV MVHcLRQKTE EELLETTLKM KFLSLDLQGD PRESQPLLGT DATA SEQUENCE VIDGMLLLKT PEELQAERNF HTVPYMVGIN KQEFGWLIPM XLMSYPLSEG DATA SEQUENCE QLDQKTAMSL LWKSYPLVCI AKELIPEATE KYLGGTDDTV KKKDLFLDLI DATA SEQUENCE ADVMFGVPSV IVARNHRDAG APTYMYEFQY RPSFSSDMKP KTVIGDHGDE DATA SEQUENCE LFSVFGAPFL KEGASEEEIR LSKMVMKFWA NFARNGNPNG EGLPHWPEYN DATA SEQUENCE QKEGYLQIGA NTQAAQKLKD KEVAFWTNLF AK 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 22 S HA 0.000 nan 4.470 nan 0.000 0.327 22 S C 0.000 174.749 174.600 0.249 0.000 1.055 22 S CA 0.000 58.286 58.200 0.144 0.000 1.107 22 S CB 0.000 63.267 63.200 0.111 0.000 0.593 23 P HA 0.061 nan 4.420 nan 0.000 0.262 23 P C -2.693 174.615 177.300 0.012 0.000 1.151 23 P CA -0.038 63.095 63.100 0.054 0.000 0.757 23 P CB -0.209 31.495 31.700 0.007 0.000 0.754 24 P HA 0.123 nan 4.420 nan 0.000 0.276 24 P C -0.893 176.435 177.300 0.047 0.000 1.230 24 P CA 0.123 63.127 63.100 -0.161 0.000 0.776 24 P CB 0.671 32.062 31.700 -0.516 0.000 0.888 25 V N 4.700 124.679 119.914 0.109 0.000 2.327 25 V HA 0.151 4.272 4.120 0.002 0.000 0.272 25 V C 0.236 176.372 176.094 0.071 0.000 1.019 25 V CA -0.609 61.770 62.300 0.130 0.000 0.814 25 V CB 1.442 33.324 31.823 0.098 0.000 1.040 25 V HN 0.257 nan 8.190 nan 0.000 0.440 26 V N 2.399 122.326 119.914 0.021 0.000 2.953 26 V HA 0.365 4.485 4.120 0.002 0.000 0.304 26 V C 0.085 176.101 176.094 -0.129 0.000 1.073 26 V CA -0.236 61.917 62.300 -0.245 0.000 1.064 26 V CB 1.844 33.148 31.823 -0.866 0.000 1.047 26 V HN 0.766 nan 8.190 nan 0.000 0.478 27 D N 1.750 122.054 120.400 -0.160 0.000 2.381 27 D HA 0.404 5.044 4.640 0.002 0.000 0.235 27 D C -0.027 176.224 176.300 -0.081 0.000 1.068 27 D CA -0.128 53.838 54.000 -0.057 0.000 0.832 27 D CB 1.766 42.536 40.800 -0.050 0.000 1.101 27 D HN 0.798 nan 8.370 nan 0.000 0.515 28 T N -0.672 113.891 114.554 0.017 0.000 2.910 28 T HA 0.306 4.657 4.350 0.002 0.000 0.279 28 T C 1.625 176.247 174.700 -0.131 0.000 0.989 28 T CA -0.609 61.489 62.100 -0.004 0.000 0.968 28 T CB 0.955 69.973 68.868 0.251 0.000 1.135 28 T HN 0.011 nan 8.240 nan 0.000 0.562 29 V N 1.075 120.831 119.914 -0.262 0.000 2.343 29 V HA -0.142 3.979 4.120 0.002 0.000 0.247 29 V C 2.538 178.375 176.094 -0.429 0.000 1.051 29 V CA 1.681 63.757 62.300 -0.374 0.000 1.036 29 V CB -1.158 30.354 31.823 -0.519 0.000 0.654 29 V HN 0.859 nan 8.190 nan 0.000 0.451 30 H N 0.050 118.929 119.070 -0.319 0.000 2.555 30 H HA 0.398 4.955 4.556 0.001 0.000 0.269 30 H C 1.061 175.710 175.328 -1.132 0.000 0.988 30 H CA 0.998 56.654 56.048 -0.654 0.000 1.178 30 H CB 0.243 29.556 29.762 -0.748 0.000 1.373 30 H HN 0.552 nan 8.280 nan 0.000 0.588 31 G N 0.072 108.500 108.800 -0.619 0.000 2.369 31 G HA2 0.002 3.963 3.960 0.002 0.000 0.293 31 G HA3 0.002 3.963 3.960 0.002 0.000 0.293 31 G C -1.360 173.702 174.900 0.269 0.000 1.301 31 G CA -1.123 43.725 45.100 -0.419 0.000 0.913 31 G HN 0.037 nan 8.290 nan 0.000 0.540 32 K N -0.566 120.126 120.400 0.487 0.000 2.218 32 K HA 0.588 4.909 4.320 0.002 0.000 0.276 32 K C -0.425 176.493 176.600 0.530 0.000 1.022 32 K CA -0.448 56.089 56.287 0.416 0.000 0.946 32 K CB 1.865 34.526 32.500 0.270 0.000 1.000 32 K HN 0.328 nan 8.250 nan 0.000 0.468 33 V N 4.126 124.256 119.914 0.359 0.000 2.588 33 V HA 0.243 4.364 4.120 0.002 0.000 0.304 33 V C -0.808 175.471 176.094 0.308 0.000 1.042 33 V CA -1.012 61.475 62.300 0.310 0.000 0.877 33 V CB 1.758 33.816 31.823 0.391 0.000 0.996 33 V HN 0.563 nan 8.190 nan 0.000 0.425 34 L N 4.613 125.971 121.223 0.225 0.000 2.295 34 L HA 0.885 5.226 4.340 0.002 0.000 0.285 34 L C 0.321 177.236 176.870 0.075 0.000 1.035 34 L CA 0.564 55.495 54.840 0.153 0.000 0.806 34 L CB 1.050 43.142 42.059 0.056 0.000 1.214 34 L HN 0.755 nan 8.230 nan 0.000 0.426 35 G N 4.804 113.481 108.800 -0.204 0.000 3.211 35 G HA2 0.609 4.570 3.960 0.002 0.000 0.167 35 G HA3 0.609 4.570 3.960 0.002 0.000 0.167 35 G C -1.260 173.308 174.900 -0.552 0.000 1.212 35 G CA -0.505 44.172 45.100 -0.704 0.000 0.928 35 G HN 0.727 nan 8.290 nan 0.000 0.607 36 K N -0.894 119.115 120.400 -0.652 0.000 2.525 36 K HA 0.533 4.854 4.320 0.002 0.000 0.254 36 K C -1.780 174.611 176.600 -0.349 0.000 0.934 36 K CA -0.760 55.302 56.287 -0.375 0.000 0.802 36 K CB 1.814 34.184 32.500 -0.217 0.000 1.295 36 K HN 0.262 nan 8.250 nan 0.000 0.433 37 F N 1.600 121.474 119.950 -0.125 0.000 2.399 37 F HA 0.399 4.927 4.527 0.002 0.000 0.342 37 F C -0.078 175.704 175.800 -0.031 0.000 1.106 37 F CA -0.206 57.757 58.000 -0.063 0.000 1.196 37 F CB 1.675 40.660 39.000 -0.026 0.000 1.163 37 F HN 0.154 nan 8.300 nan 0.000 0.547 38 V N 2.463 122.521 119.914 0.241 0.000 2.711 38 V HA 0.237 4.358 4.120 0.002 0.000 0.304 38 V C -0.640 175.547 176.094 0.156 0.000 1.097 38 V CA -0.860 61.534 62.300 0.156 0.000 0.906 38 V CB 1.890 33.785 31.823 0.121 0.000 1.015 38 V HN 0.728 nan 8.190 nan 0.000 0.427 39 S N 3.802 119.577 115.700 0.125 0.000 2.578 39 S HA 0.774 5.245 4.470 0.002 0.000 0.283 39 S C -0.588 174.087 174.600 0.125 0.000 1.195 39 S CA -0.362 57.909 58.200 0.118 0.000 1.050 39 S CB 1.501 64.759 63.200 0.097 0.000 1.012 39 S HN 0.554 nan 8.310 nan 0.000 0.511 40 L N 2.308 123.620 121.223 0.148 0.000 2.334 40 L HA 0.568 4.909 4.340 0.002 0.000 0.273 40 L C -0.185 176.852 176.870 0.278 0.000 1.013 40 L CA -0.716 54.234 54.840 0.183 0.000 0.816 40 L CB 1.431 43.548 42.059 0.097 0.000 1.278 40 L HN 0.592 nan 8.230 nan 0.000 0.431 41 E N 2.840 123.196 120.200 0.260 0.000 2.729 41 E HA 0.327 4.678 4.350 0.002 0.000 0.246 41 E C 0.879 177.620 176.600 0.235 0.000 0.984 41 E CA 1.351 57.885 56.400 0.223 0.000 0.951 41 E CB -0.246 29.583 29.700 0.215 0.000 0.914 41 E HN 0.878 nan 8.360 nan 0.000 0.509 42 G N 3.899 112.761 108.800 0.104 0.000 2.160 42 G HA2 -0.271 3.690 3.960 0.002 0.000 0.244 42 G HA3 -0.271 3.690 3.960 0.002 0.000 0.244 42 G C -0.285 174.433 174.900 -0.304 0.000 1.022 42 G CA 0.126 45.180 45.100 -0.077 0.000 0.741 42 G HN 0.375 nan 8.290 nan 0.000 0.508 43 F N -0.574 119.366 119.950 -0.017 0.000 2.579 43 F HA 0.641 5.169 4.527 0.002 0.000 0.325 43 F C 1.183 176.976 175.800 -0.011 0.000 1.162 43 F CA -0.138 57.843 58.000 -0.030 0.000 0.946 43 F CB 1.474 40.454 39.000 -0.033 0.000 1.211 43 F HN 0.129 nan 8.300 nan 0.000 0.447 44 A N 2.086 124.976 122.820 0.116 0.000 1.841 44 A HA -0.191 4.130 4.320 0.002 0.000 0.216 44 A C 1.199 178.831 177.584 0.079 0.000 1.199 44 A CA 1.302 53.380 52.037 0.067 0.000 0.621 44 A CB -0.563 18.455 19.000 0.030 0.000 0.835 44 A HN 0.660 nan 8.150 nan 0.000 0.445 45 Q N 1.324 121.190 119.800 0.109 0.000 2.271 45 Q HA 0.269 4.610 4.340 0.002 0.000 0.273 45 Q C -2.445 173.620 176.000 0.109 0.000 1.051 45 Q CA -2.061 53.795 55.803 0.090 0.000 0.901 45 Q CB 0.498 29.302 28.738 0.111 0.000 1.174 45 Q HN 0.391 nan 8.270 nan 0.000 0.385 46 P HA 0.101 nan 4.420 nan 0.000 0.284 46 P C -0.985 176.490 177.300 0.293 0.000 1.253 46 P CA -0.371 62.814 63.100 0.141 0.000 0.800 46 P CB 1.083 32.795 31.700 0.021 0.000 0.961 47 V N 2.509 122.575 119.914 0.254 0.000 2.498 47 V HA 0.360 4.481 4.120 0.002 0.000 0.279 47 V C 0.937 177.169 176.094 0.230 0.000 1.048 47 V CA -0.576 61.868 62.300 0.240 0.000 0.967 47 V CB 0.678 32.603 31.823 0.170 0.000 0.988 47 V HN 0.725 nan 8.190 nan 0.000 0.473 48 A N 6.799 129.715 122.820 0.159 0.000 2.362 48 A HA 0.684 5.004 4.320 0.002 0.000 0.276 48 A C -0.339 177.200 177.584 -0.074 0.000 1.153 48 A CA -0.197 51.747 52.037 -0.155 0.000 0.813 48 A CB -0.110 18.876 19.000 -0.023 0.000 1.081 48 A HN 0.776 nan 8.150 nan 0.000 0.507 49 I N 2.599 122.934 120.570 -0.393 0.000 2.389 49 I HA 0.380 4.551 4.170 0.002 0.000 0.288 49 I C -1.359 174.398 176.117 -0.600 0.000 0.999 49 I CA -0.256 60.833 61.300 -0.352 0.000 1.129 49 I CB 1.549 39.401 38.000 -0.248 0.000 1.288 49 I HN 0.542 nan 8.210 nan 0.000 0.444 50 F N 6.743 126.553 119.950 -0.233 0.000 2.445 50 F HA 0.490 5.018 4.527 0.002 0.000 0.348 50 F C -0.283 175.384 175.800 -0.221 0.000 1.125 50 F CA -0.595 57.315 58.000 -0.150 0.000 0.983 50 F CB 1.149 40.162 39.000 0.022 0.000 1.198 50 F HN 0.104 nan 8.300 nan 0.000 0.436 51 L N 2.979 124.128 121.223 -0.123 0.000 2.282 51 L HA 0.684 5.025 4.340 0.002 0.000 0.288 51 L C 0.786 177.590 176.870 -0.110 0.000 1.033 51 L CA -0.808 53.922 54.840 -0.184 0.000 0.807 51 L CB 1.386 43.184 42.059 -0.435 0.000 1.209 51 L HN 0.913 nan 8.230 nan 0.000 0.423 52 G N 3.683 112.457 108.800 -0.042 0.000 2.248 52 G HA2 -0.214 3.747 3.960 0.002 0.000 0.252 52 G HA3 -0.214 3.747 3.960 0.002 0.000 0.252 52 G C -0.229 174.770 174.900 0.164 0.000 1.085 52 G CA -0.557 44.541 45.100 -0.002 0.000 0.845 52 G HN 0.495 nan 8.290 nan 0.000 0.494 53 I N 1.958 122.591 120.570 0.106 0.000 2.395 53 I HA 0.279 4.450 4.170 0.002 0.000 0.289 53 I C -1.503 174.602 176.117 -0.019 0.000 1.023 53 I CA -2.197 59.123 61.300 0.034 0.000 1.350 53 I CB 1.443 39.393 38.000 -0.083 0.000 1.409 53 I HN 0.010 nan 8.210 nan 0.000 0.507 54 P HA 0.111 nan 4.420 nan 0.000 0.287 54 P C -0.320 176.814 177.300 -0.278 0.000 1.281 54 P CA -0.211 62.639 63.100 -0.416 0.000 0.781 54 P CB 0.708 32.199 31.700 -0.348 0.000 0.903 55 F N 1.574 121.284 119.950 -0.400 0.000 2.678 55 F HA 0.749 5.277 4.527 0.002 0.000 0.305 55 F C -0.022 175.743 175.800 -0.058 0.000 1.090 55 F CA -0.977 56.827 58.000 -0.326 0.000 1.272 55 F CB 0.157 38.902 39.000 -0.425 0.000 1.060 55 F HN 0.383 nan 8.300 nan 0.000 0.576 56 A N 0.640 123.178 122.820 -0.470 0.000 2.601 56 A HA 0.477 4.798 4.320 0.002 0.000 0.291 56 A C -1.310 176.069 177.584 -0.341 0.000 1.075 56 A CA -1.157 50.692 52.037 -0.313 0.000 0.671 56 A CB 0.751 19.533 19.000 -0.363 0.000 1.277 56 A HN 0.214 nan 8.150 nan 0.000 0.417 57 K N 1.134 121.410 120.400 -0.207 0.000 2.379 57 K HA 0.405 4.726 4.320 0.002 0.000 0.284 57 K C -2.406 174.074 176.600 -0.200 0.000 1.044 57 K CA -1.358 54.823 56.287 -0.177 0.000 0.974 57 K CB 0.224 32.659 32.500 -0.108 0.000 0.962 57 K HN 0.326 nan 8.250 nan 0.000 0.474 58 P HA -0.082 nan 4.420 nan 0.000 0.257 58 P C -2.376 174.839 177.300 -0.142 0.000 1.162 58 P CA -0.656 62.339 63.100 -0.176 0.000 0.762 58 P CB 0.157 31.785 31.700 -0.119 0.000 0.753 59 P HA 0.037 nan 4.420 nan 0.000 0.228 59 P C -0.391 176.828 177.300 -0.136 0.000 1.748 59 P CA 0.399 63.415 63.100 -0.140 0.000 0.909 59 P CB -0.033 31.584 31.700 -0.139 0.000 1.882 60 L N -0.785 120.371 121.223 -0.113 0.000 2.448 60 L HA 0.552 4.893 4.340 0.002 0.000 0.258 60 L C 1.755 178.567 176.870 -0.096 0.000 1.104 60 L CA -0.193 54.589 54.840 -0.096 0.000 0.800 60 L CB -0.327 41.687 42.059 -0.075 0.000 1.241 60 L HN 0.238 nan 8.230 nan 0.000 0.472 61 G N 0.871 109.622 108.800 -0.083 0.000 2.634 61 G HA2 -0.288 3.673 3.960 0.002 0.000 0.309 61 G HA3 -0.288 3.673 3.960 0.002 0.000 0.309 61 G C -1.284 173.559 174.900 -0.095 0.000 1.265 61 G CA 0.332 45.387 45.100 -0.075 0.000 0.998 61 G HN 0.640 nan 8.290 nan 0.000 0.551 62 P HA -0.010 nan 4.420 nan 0.000 0.220 62 P C 2.078 179.322 177.300 -0.094 0.000 1.148 62 P CA 1.491 64.555 63.100 -0.061 0.000 0.803 62 P CB -0.107 31.576 31.700 -0.028 0.000 0.782 63 L N -0.948 120.208 121.223 -0.111 0.000 2.642 63 L HA -0.026 4.315 4.340 0.002 0.000 0.236 63 L C 1.814 178.543 176.870 -0.235 0.000 1.169 63 L CA 0.137 54.892 54.840 -0.142 0.000 0.851 63 L CB -0.609 41.379 42.059 -0.118 0.000 0.968 63 L HN -0.014 nan 8.230 nan 0.000 0.453 64 R N 0.242 120.568 120.500 -0.290 0.000 2.543 64 R HA -0.009 4.332 4.340 0.002 0.000 0.277 64 R C 0.000 175.938 176.300 -0.604 0.000 1.074 64 R CA -0.203 55.573 56.100 -0.540 0.000 1.076 64 R CB 0.288 30.181 30.300 -0.678 0.000 0.993 64 R HN 0.048 nan 8.270 nan 0.000 0.459 65 F N -0.221 119.354 119.950 -0.627 0.000 3.057 65 F HA -0.278 4.250 4.527 0.002 0.000 0.287 65 F C 0.252 175.033 175.800 -1.697 0.000 0.834 65 F CA 1.486 58.740 58.000 -1.243 0.000 1.147 65 F CB -2.565 36.154 39.000 -0.469 0.000 1.245 65 F HN 0.659 nan 8.300 nan 0.000 0.509 66 T N -3.386 110.539 114.554 -1.049 0.000 2.901 66 T HA 0.799 5.150 4.350 0.002 0.000 0.293 66 T C -2.927 171.600 174.700 -0.288 0.000 1.084 66 T CA -2.440 59.274 62.100 -0.644 0.000 1.008 66 T CB 3.335 72.052 68.868 -0.251 0.000 1.170 66 T HN -0.245 nan 8.240 nan 0.000 0.509 67 P HA 0.254 nan 4.420 nan 0.000 0.269 67 P C -2.365 174.989 177.300 0.089 0.000 1.209 67 P CA -0.971 62.253 63.100 0.207 0.000 0.776 67 P CB -0.222 31.609 31.700 0.218 0.000 0.876 68 P HA 0.088 nan 4.420 nan 0.000 0.271 68 P C -0.771 176.564 177.300 0.059 0.000 1.216 68 P CA 0.154 63.292 63.100 0.064 0.000 0.776 68 P CB 0.708 32.480 31.700 0.120 0.000 0.881 69 Q N 3.218 123.025 119.800 0.012 0.000 2.301 69 Q HA 0.445 4.786 4.340 0.002 0.000 0.267 69 Q C -2.286 173.724 176.000 0.017 0.000 1.035 69 Q CA -2.117 53.698 55.803 0.020 0.000 0.856 69 Q CB 1.007 29.742 28.738 -0.004 0.000 1.337 69 Q HN 0.340 nan 8.270 nan 0.000 0.450 70 P HA -0.079 nan 4.420 nan 0.000 0.263 70 P C -1.303 175.961 177.300 -0.059 0.000 1.175 70 P CA 0.291 63.430 63.100 0.065 0.000 0.761 70 P CB 0.468 32.232 31.700 0.107 0.000 0.794 71 A N 3.572 126.299 122.820 -0.155 0.000 2.425 71 A HA 0.108 4.429 4.320 0.002 0.000 0.242 71 A C 0.468 177.847 177.584 -0.342 0.000 1.077 71 A CA -0.240 51.649 52.037 -0.247 0.000 0.781 71 A CB -0.045 18.825 19.000 -0.216 0.000 1.020 71 A HN 0.451 nan 8.150 nan 0.000 0.494 72 E N 2.237 122.340 120.200 -0.160 0.000 2.344 72 E HA 0.218 4.569 4.350 0.002 0.000 0.270 72 E C -2.152 174.386 176.600 -0.103 0.000 1.021 72 E CA -1.455 54.886 56.400 -0.098 0.000 0.887 72 E CB 0.276 29.970 29.700 -0.010 0.000 0.997 72 E HN 0.450 nan 8.360 nan 0.000 0.429 73 P HA 0.099 nan 4.420 nan 0.000 0.276 73 P C -0.715 176.523 177.300 -0.103 0.000 1.230 73 P CA -0.372 62.586 63.100 -0.238 0.000 0.776 73 P CB 0.239 31.862 31.700 -0.129 0.000 0.888 74 W N 1.808 123.137 121.300 0.048 0.000 2.436 74 W HA 0.567 5.228 4.660 0.001 0.000 0.347 74 W C 0.773 177.272 176.519 -0.033 0.000 1.136 74 W CA -0.664 56.694 57.345 0.021 0.000 1.286 74 W CB -0.570 28.925 29.460 0.059 0.000 1.253 74 W HN 0.164 nan 8.180 nan 0.000 0.617 75 S N 0.288 116.072 115.700 0.141 0.000 2.404 75 S HA 0.080 4.551 4.470 0.002 0.000 0.223 75 S C 0.759 175.151 174.600 -0.346 0.000 1.040 75 S CA 0.578 58.644 58.200 -0.224 0.000 0.957 75 S CB -0.281 62.627 63.200 -0.487 0.000 0.826 75 S HN 0.449 nan 8.310 nan 0.000 0.491 76 F N 0.378 120.477 119.950 0.249 0.000 2.893 76 F HA 0.446 4.974 4.527 0.002 0.000 0.152 76 F C 0.114 176.062 175.800 0.248 0.000 1.391 76 F CA -0.779 57.336 58.000 0.192 0.000 0.935 76 F CB -0.197 38.871 39.000 0.114 0.000 2.055 76 F HN -0.283 nan 8.300 nan 0.000 0.498 77 V N 1.332 121.481 119.914 0.391 0.000 2.313 77 V HA 0.234 4.355 4.120 0.002 0.000 0.278 77 V C -0.325 175.817 176.094 0.080 0.000 1.017 77 V CA -1.059 61.383 62.300 0.235 0.000 0.823 77 V CB 0.873 32.799 31.823 0.173 0.000 1.010 77 V HN 0.335 nan 8.190 nan 0.000 0.443 78 K N 3.907 124.250 120.400 -0.096 0.000 2.322 78 K HA 0.203 4.524 4.320 0.002 0.000 0.283 78 K C 0.014 176.523 176.600 -0.151 0.000 1.042 78 K CA -0.300 55.795 56.287 -0.320 0.000 0.958 78 K CB 0.381 32.307 32.500 -0.957 0.000 0.984 78 K HN 0.585 nan 8.250 nan 0.000 0.473 79 N N 2.859 121.486 118.700 -0.122 0.000 2.555 79 N HA 0.123 4.864 4.740 0.002 0.000 0.244 79 N C -0.843 174.613 175.510 -0.090 0.000 1.114 79 N CA -0.023 52.980 53.050 -0.078 0.000 0.963 79 N CB 1.279 39.721 38.487 -0.075 0.000 1.276 79 N HN 0.573 nan 8.380 nan 0.000 0.510 80 A N 1.815 124.613 122.820 -0.037 0.000 3.077 80 A HA 0.151 4.472 4.320 0.002 0.000 0.255 80 A C 0.893 178.415 177.584 -0.103 0.000 1.728 80 A CA -0.298 51.723 52.037 -0.026 0.000 1.383 80 A CB -0.850 18.234 19.000 0.139 0.000 1.097 80 A HN 0.539 nan 8.150 nan 0.000 0.634 81 T N -3.173 111.291 114.554 -0.149 0.000 3.288 81 T HA 0.423 4.774 4.350 0.002 0.000 0.293 81 T C 0.075 174.630 174.700 -0.242 0.000 1.008 81 T CA -0.075 61.905 62.100 -0.200 0.000 0.929 81 T CB -0.093 68.681 68.868 -0.157 0.000 1.152 81 T HN 0.209 nan 8.240 nan 0.000 0.517 82 S N 0.638 116.182 115.700 -0.261 0.000 2.548 82 S HA 0.541 5.012 4.470 0.002 0.000 0.276 82 S C -1.351 173.071 174.600 -0.298 0.000 1.129 82 S CA -0.822 57.220 58.200 -0.262 0.000 0.931 82 S CB 0.865 63.969 63.200 -0.160 0.000 1.068 82 S HN 0.322 nan 8.310 nan 0.000 0.480 83 Y N 3.858 124.095 120.300 -0.104 0.000 2.721 83 Y HA 0.136 4.687 4.550 0.001 0.000 0.329 83 Y C -1.354 174.436 175.900 -0.184 0.000 1.211 83 Y CA -0.890 57.143 58.100 -0.112 0.000 1.512 83 Y CB -0.211 38.202 38.460 -0.079 0.000 1.249 83 Y HN 0.401 nan 8.280 nan 0.000 0.549 84 P HA 0.154 nan 4.420 nan 0.000 0.273 84 P C -2.694 174.471 177.300 -0.225 0.000 1.250 84 P CA -1.536 61.340 63.100 -0.374 0.000 0.793 84 P CB 0.513 31.862 31.700 -0.585 0.000 1.011 85 P HA 0.255 nan 4.420 nan 0.000 0.278 85 P C -0.130 177.096 177.300 -0.124 0.000 1.238 85 P CA -0.185 62.816 63.100 -0.165 0.000 0.794 85 P CB 0.278 31.880 31.700 -0.163 0.000 0.955 86 M N 0.914 120.441 119.600 -0.121 0.000 2.274 86 M HA 0.424 4.905 4.480 0.002 0.000 0.344 86 M C -0.601 175.607 176.300 -0.154 0.000 1.161 86 M CA -0.412 54.814 55.300 -0.124 0.000 1.126 86 M CB 0.299 32.813 32.600 -0.143 0.000 1.522 86 M HN 0.141 nan 8.290 nan 0.000 0.461 87 c N 1.943 120.448 118.600 -0.157 0.000 2.641 87 c HA 0.077 4.648 4.570 0.002 0.000 0.412 87 c C 1.043 174.944 174.090 -0.315 0.000 1.312 87 c CA -0.191 55.997 56.329 -0.236 0.000 1.838 87 c CB -0.557 41.840 42.510 -0.188 0.000 2.682 87 c HN 0.869 nan 8.230 nan 0.000 0.627 88 T N 4.009 118.225 114.554 -0.564 0.000 2.923 88 T HA 0.294 4.645 4.350 0.002 0.000 0.304 88 T C -0.002 174.483 174.700 -0.358 0.000 1.044 88 T CA 0.602 62.316 62.100 -0.643 0.000 1.141 88 T CB -0.133 67.903 68.868 -1.387 0.000 1.023 88 T HN 0.893 nan 8.240 nan 0.000 0.533 89 Q N 0.948 120.665 119.800 -0.137 0.000 2.848 89 Q HA 0.245 4.586 4.340 0.002 0.000 0.288 89 Q C -1.684 174.335 176.000 0.032 0.000 0.907 89 Q CA -1.145 54.673 55.803 0.024 0.000 0.792 89 Q CB 0.692 29.428 28.738 -0.004 0.000 1.534 89 Q HN 0.374 nan 8.270 nan 0.000 0.419 90 D N 2.640 123.085 120.400 0.074 0.000 2.455 90 D HA -0.011 4.630 4.640 0.002 0.000 0.265 90 D C -1.116 175.189 176.300 0.009 0.000 1.284 90 D CA -0.943 53.090 54.000 0.055 0.000 0.944 90 D CB 0.985 41.825 40.800 0.066 0.000 1.121 90 D HN 0.338 nan 8.370 nan 0.000 0.525 91 P HA -0.190 nan 4.420 nan 0.000 0.218 91 P C 0.966 178.250 177.300 -0.026 0.000 1.146 91 P CA 1.215 64.299 63.100 -0.026 0.000 0.813 91 P CB 0.445 32.129 31.700 -0.026 0.000 0.778 92 K N -0.000 120.392 120.400 -0.013 0.000 2.007 92 K HA 0.022 4.343 4.320 0.002 0.000 0.206 92 K C 2.459 179.045 176.600 -0.023 0.000 1.047 92 K CA 1.307 57.585 56.287 -0.015 0.000 0.937 92 K CB -0.640 31.858 32.500 -0.005 0.000 0.718 92 K HN -0.004 nan 8.250 nan 0.000 0.438 93 A N 1.387 124.198 122.820 -0.015 0.000 1.933 93 A HA -0.089 4.232 4.320 0.002 0.000 0.218 93 A C 2.339 179.894 177.584 -0.049 0.000 1.175 93 A CA 1.950 53.971 52.037 -0.026 0.000 0.628 93 A CB -1.169 17.829 19.000 -0.003 0.000 0.814 93 A HN 0.440 nan 8.150 nan 0.000 0.444 94 G N -0.762 108.011 108.800 -0.045 0.000 2.484 94 G HA2 -0.289 3.672 3.960 0.002 0.000 0.215 94 G HA3 -0.289 3.672 3.960 0.002 0.000 0.215 94 G C 1.615 176.461 174.900 -0.089 0.000 1.219 94 G CA 1.100 46.158 45.100 -0.069 0.000 0.791 94 G HN 0.615 nan 8.290 nan 0.000 0.550 95 Q N -0.483 119.271 119.800 -0.076 0.000 2.135 95 Q HA -0.111 4.230 4.340 0.002 0.000 0.204 95 Q C 2.406 178.361 176.000 -0.076 0.000 0.981 95 Q CA 1.422 57.178 55.803 -0.080 0.000 0.856 95 Q CB -0.252 28.449 28.738 -0.062 0.000 0.902 95 Q HN 0.389 nan 8.270 nan 0.000 0.425 96 L N 0.281 121.465 121.223 -0.065 0.000 1.994 96 L HA -0.150 4.191 4.340 0.002 0.000 0.208 96 L C 2.132 178.950 176.870 -0.086 0.000 1.071 96 L CA 1.646 56.453 54.840 -0.055 0.000 0.745 96 L CB -0.894 41.138 42.059 -0.046 0.000 0.892 96 L HN 0.430 nan 8.230 nan 0.000 0.431 97 L N -0.875 120.263 121.223 -0.141 0.000 2.079 97 L HA -0.195 4.145 4.340 0.002 0.000 0.210 97 L C 2.719 179.449 176.870 -0.233 0.000 1.081 97 L CA 2.093 56.777 54.840 -0.261 0.000 0.752 97 L CB -1.006 40.874 42.059 -0.298 0.000 0.896 97 L HN 0.496 nan 8.230 nan 0.000 0.433 98 S N -0.807 114.790 115.700 -0.172 0.000 2.374 98 S HA -0.243 4.228 4.470 0.002 0.000 0.227 98 S C 1.836 176.358 174.600 -0.130 0.000 1.037 98 S CA 1.779 59.873 58.200 -0.176 0.000 1.024 98 S CB -0.284 62.816 63.200 -0.168 0.000 0.861 98 S HN 0.692 nan 8.310 nan 0.000 0.456 99 E N 0.566 120.723 120.200 -0.072 0.000 2.046 99 E HA -0.023 4.328 4.350 0.002 0.000 0.190 99 E C 2.085 178.733 176.600 0.080 0.000 0.982 99 E CA 1.083 57.475 56.400 -0.013 0.000 0.800 99 E CB -0.312 29.390 29.700 0.002 0.000 0.756 99 E HN 0.476 nan 8.360 nan 0.000 0.449 100 L N 0.024 121.317 121.223 0.117 0.000 2.456 100 L HA -0.093 4.248 4.340 0.002 0.000 0.224 100 L C 1.468 178.692 176.870 0.590 0.000 1.148 100 L CA 0.531 55.556 54.840 0.309 0.000 0.825 100 L CB -0.019 42.199 42.059 0.266 0.000 0.937 100 L HN 0.110 nan 8.230 nan 0.000 0.450 101 F N -1.621 118.298 119.950 -0.052 0.000 2.740 101 F HA 0.148 4.676 4.527 0.001 0.000 0.304 101 F C 1.581 177.089 175.800 -0.487 0.000 1.098 101 F CA -0.667 57.172 58.000 -0.269 0.000 1.258 101 F CB -0.312 38.526 39.000 -0.271 0.000 1.061 101 F HN -0.250 nan 8.300 nan 0.000 0.598 102 T N 2.359 116.801 114.554 -0.187 0.000 2.933 102 T HA -0.064 4.287 4.350 0.002 0.000 0.306 102 T C 1.240 175.789 174.700 -0.252 0.000 1.045 102 T CA 0.260 62.169 62.100 -0.319 0.000 1.143 102 T CB 0.214 68.951 68.868 -0.218 0.000 1.003 102 T HN 0.392 nan 8.240 nan 0.000 0.540 103 N N 4.395 122.895 118.700 -0.333 0.000 2.236 103 N HA 0.026 4.767 4.740 0.002 0.000 0.196 103 N C 0.404 175.797 175.510 -0.194 0.000 1.114 103 N CA -0.401 52.498 53.050 -0.251 0.000 0.859 103 N CB 0.097 38.433 38.487 -0.253 0.000 0.982 103 N HN 0.742 nan 8.380 nan 0.000 0.493 104 R N 0.379 120.778 120.500 -0.169 0.000 2.691 104 R HA 0.375 4.716 4.340 0.002 0.000 0.259 104 R C 1.211 177.455 176.300 -0.094 0.000 1.048 104 R CA -0.862 55.170 56.100 -0.112 0.000 1.086 104 R CB 1.153 31.401 30.300 -0.087 0.000 1.166 104 R HN -0.120 nan 8.270 nan 0.000 0.526 105 K N 0.729 121.097 120.400 -0.054 0.000 1.971 105 K HA -0.216 4.104 4.320 0.002 0.000 0.221 105 K C -0.024 176.557 176.600 -0.032 0.000 1.050 105 K CA 1.653 57.921 56.287 -0.031 0.000 0.967 105 K CB -0.576 31.922 32.500 -0.004 0.000 0.733 105 K HN 0.783 nan 8.250 nan 0.000 0.445 106 E N 1.701 121.882 120.200 -0.030 0.000 2.249 106 E HA 0.096 4.447 4.350 0.002 0.000 0.280 106 E C -0.892 175.667 176.600 -0.069 0.000 1.016 106 E CA -0.806 55.572 56.400 -0.036 0.000 0.830 106 E CB 0.889 30.575 29.700 -0.024 0.000 1.081 106 E HN 0.319 nan 8.360 nan 0.000 0.395 107 N N 3.642 122.299 118.700 -0.071 0.000 2.530 107 N HA 0.060 4.801 4.740 0.002 0.000 0.273 107 N C -0.545 174.891 175.510 -0.125 0.000 1.173 107 N CA -0.583 52.403 53.050 -0.107 0.000 0.967 107 N CB 0.557 38.992 38.487 -0.086 0.000 1.109 107 N HN 0.458 nan 8.380 nan 0.000 0.453 108 I N 4.725 125.180 120.570 -0.193 0.000 2.304 108 I HA 0.271 4.442 4.170 0.002 0.000 0.291 108 I C -1.868 174.142 176.117 -0.179 0.000 1.018 108 I CA -2.312 58.859 61.300 -0.215 0.000 1.260 108 I CB 0.718 38.463 38.000 -0.425 0.000 1.390 108 I HN 0.462 nan 8.210 nan 0.000 0.475 109 P HA 0.290 nan 4.420 nan 0.000 0.271 109 P C -0.680 176.559 177.300 -0.102 0.000 1.216 109 P CA -0.145 62.898 63.100 -0.096 0.000 0.771 109 P CB 1.400 33.062 31.700 -0.064 0.000 0.864 110 L N 2.183 123.343 121.223 -0.105 0.000 2.298 110 L HA 0.555 4.896 4.340 0.002 0.000 0.268 110 L C 0.765 177.584 176.870 -0.085 0.000 1.010 110 L CA -1.136 53.645 54.840 -0.099 0.000 0.812 110 L CB 1.246 43.233 42.059 -0.120 0.000 1.331 110 L HN 0.270 nan 8.230 nan 0.000 0.450 111 K N 0.281 120.629 120.400 -0.087 0.000 2.208 111 K HA 0.643 4.964 4.320 0.002 0.000 0.247 111 K C -1.300 175.235 176.600 -0.108 0.000 0.953 111 K CA -0.446 55.788 56.287 -0.089 0.000 0.837 111 K CB 1.536 33.985 32.500 -0.085 0.000 1.131 111 K HN 0.345 nan 8.250 nan 0.000 0.431 112 L N 1.363 122.520 121.223 -0.111 0.000 2.334 112 L HA 0.606 4.947 4.340 0.002 0.000 0.275 112 L C -0.323 176.452 176.870 -0.159 0.000 1.036 112 L CA -0.549 54.204 54.840 -0.144 0.000 0.807 112 L CB 1.768 43.743 42.059 -0.140 0.000 1.231 112 L HN 0.655 nan 8.230 nan 0.000 0.438 113 S N 0.510 116.084 115.700 -0.210 0.000 2.608 113 S HA 0.139 4.609 4.470 0.002 0.000 0.285 113 S C 0.017 174.449 174.600 -0.280 0.000 1.108 113 S CA -0.618 57.458 58.200 -0.207 0.000 0.858 113 S CB 1.351 64.470 63.200 -0.136 0.000 1.077 113 S HN 0.762 nan 8.310 nan 0.000 0.450 114 E N 0.976 121.003 120.200 -0.289 0.000 2.274 114 E HA -0.051 4.300 4.350 0.002 0.000 0.194 114 E C -0.280 176.207 176.600 -0.188 0.000 0.996 114 E CA 0.575 56.774 56.400 -0.334 0.000 0.840 114 E CB 0.053 29.605 29.700 -0.246 0.000 0.772 114 E HN 0.545 nan 8.360 nan 0.000 0.491 115 D N 0.239 120.572 120.400 -0.112 0.000 2.453 115 D HA 0.007 4.648 4.640 0.002 0.000 0.223 115 D C 0.106 176.468 176.300 0.103 0.000 1.183 115 D CA -0.291 53.699 54.000 -0.017 0.000 0.933 115 D CB 0.107 40.922 40.800 0.024 0.000 1.038 115 D HN 0.150 nan 8.370 nan 0.000 0.513 116 c N 2.421 121.063 118.600 0.070 0.000 3.911 116 c HA 0.354 4.925 4.570 0.002 0.000 0.318 116 c C 0.771 174.969 174.090 0.180 0.000 1.643 116 c CA -0.653 55.781 56.329 0.175 0.000 1.845 116 c CB -1.300 41.206 42.510 -0.007 0.000 2.981 116 c HN 0.446 nan 8.230 nan 0.000 0.656 117 L N 2.573 123.681 121.223 -0.192 0.000 2.400 117 L HA 0.317 4.658 4.340 0.002 0.000 0.262 117 L C -0.673 175.650 176.870 -0.911 0.000 1.309 117 L CA 0.670 55.160 54.840 -0.583 0.000 1.186 117 L CB -0.925 40.603 42.059 -0.884 0.000 1.375 117 L HN 0.386 nan 8.230 nan 0.000 0.433 118 Y N 1.849 122.073 120.300 -0.126 0.000 2.665 118 Y HA 0.746 5.297 4.550 0.002 0.000 0.336 118 Y C -0.143 175.904 175.900 0.246 0.000 1.085 118 Y CA -1.362 56.743 58.100 0.009 0.000 1.096 118 Y CB 1.789 40.225 38.460 -0.039 0.000 1.301 118 Y HN 0.139 nan 8.280 nan 0.000 0.493 119 L N -0.411 120.980 121.223 0.281 0.000 2.465 119 L HA 0.726 5.067 4.340 0.002 0.000 0.257 119 L C -1.522 175.395 176.870 0.077 0.000 0.988 119 L CA -1.177 53.757 54.840 0.157 0.000 0.827 119 L CB 1.785 43.841 42.059 -0.005 0.000 1.397 119 L HN 0.418 nan 8.230 nan 0.000 0.410 120 N N 1.635 120.402 118.700 0.112 0.000 2.370 120 N HA 0.747 5.488 4.740 0.002 0.000 0.303 120 N C -1.186 174.338 175.510 0.022 0.000 1.103 120 N CA -0.255 52.824 53.050 0.048 0.000 0.848 120 N CB 2.601 41.161 38.487 0.121 0.000 1.235 120 N HN 0.684 nan 8.380 nan 0.000 0.496 121 I N 1.562 122.066 120.570 -0.111 0.000 2.545 121 I HA 0.330 4.501 4.170 0.002 0.000 0.292 121 I C -1.203 174.834 176.117 -0.135 0.000 1.040 121 I CA -0.762 60.512 61.300 -0.043 0.000 1.068 121 I CB 1.438 39.336 38.000 -0.171 0.000 1.251 121 I HN 0.344 nan 8.210 nan 0.000 0.424 122 Y N 3.108 123.527 120.300 0.197 0.000 2.426 122 Y HA 0.358 4.909 4.550 0.001 0.000 0.325 122 Y C 0.228 176.241 175.900 0.187 0.000 0.989 122 Y CA -0.708 57.508 58.100 0.193 0.000 1.284 122 Y CB 1.955 40.509 38.460 0.156 0.000 1.104 122 Y HN 0.358 nan 8.280 nan 0.000 0.481 123 T N 5.209 119.964 114.554 0.335 0.000 2.786 123 T HA 0.327 4.678 4.350 0.002 0.000 0.283 123 T C -2.048 172.798 174.700 0.243 0.000 0.992 123 T CA -2.305 59.966 62.100 0.285 0.000 0.954 123 T CB 1.217 70.287 68.868 0.337 0.000 0.934 123 T HN 0.353 nan 8.240 nan 0.000 0.440 124 P HA 0.258 nan 4.420 nan 0.000 0.255 124 P C 0.294 177.685 177.300 0.152 0.000 1.248 124 P CA -0.133 63.050 63.100 0.138 0.000 0.807 124 P CB 0.118 31.858 31.700 0.067 0.000 1.150 125 A N 0.908 123.829 122.820 0.168 0.000 2.386 125 A HA 0.184 4.505 4.320 0.002 0.000 0.248 125 A C -0.022 177.670 177.584 0.180 0.000 1.082 125 A CA -0.118 52.011 52.037 0.153 0.000 0.789 125 A CB -0.309 18.776 19.000 0.141 0.000 1.025 125 A HN -0.032 nan 8.150 nan 0.000 0.490 126 D N 1.674 122.162 120.400 0.147 0.000 2.393 126 D HA 0.276 4.917 4.640 0.002 0.000 0.232 126 D C 0.824 177.211 176.300 0.144 0.000 1.192 126 D CA -0.086 54.007 54.000 0.156 0.000 0.882 126 D CB -0.048 40.815 40.800 0.106 0.000 1.038 126 D HN 0.391 nan 8.370 nan 0.000 0.499 127 L N 2.714 124.047 121.223 0.183 0.000 2.642 127 L HA -0.087 4.253 4.340 0.002 0.000 0.236 127 L C 2.090 179.018 176.870 0.095 0.000 1.169 127 L CA 1.131 56.049 54.840 0.130 0.000 0.851 127 L CB -0.763 41.379 42.059 0.139 0.000 0.968 127 L HN 0.504 nan 8.230 nan 0.000 0.453 128 T N -3.859 110.758 114.554 0.104 0.000 3.129 128 T HA 0.103 4.454 4.350 0.002 0.000 0.251 128 T C 0.626 175.357 174.700 0.051 0.000 1.117 128 T CA -0.023 62.121 62.100 0.074 0.000 1.034 128 T CB 0.063 68.975 68.868 0.073 0.000 0.968 128 T HN 0.227 nan 8.240 nan 0.000 0.526 129 K N 0.384 120.815 120.400 0.052 0.000 2.480 129 K HA 0.462 4.782 4.320 0.002 0.000 0.258 129 K C -1.044 175.577 176.600 0.035 0.000 0.990 129 K CA -1.060 55.250 56.287 0.039 0.000 0.857 129 K CB 2.300 34.824 32.500 0.040 0.000 1.384 129 K HN -0.012 nan 8.250 nan 0.000 0.446 130 K N 1.635 122.050 120.400 0.025 0.000 2.295 130 K HA 0.121 4.442 4.320 0.002 0.000 0.270 130 K C -0.788 175.831 176.600 0.031 0.000 1.011 130 K CA 0.096 56.395 56.287 0.021 0.000 0.953 130 K CB 0.429 32.935 32.500 0.011 0.000 0.956 130 K HN 0.496 nan 8.250 nan 0.000 0.477 131 N N 2.825 121.546 118.700 0.036 0.000 2.452 131 N HA 0.202 4.943 4.740 0.002 0.000 0.277 131 N C -1.587 173.950 175.510 0.045 0.000 1.078 131 N CA -0.702 52.376 53.050 0.045 0.000 0.947 131 N CB 1.749 40.275 38.487 0.066 0.000 1.655 131 N HN 0.413 nan 8.380 nan 0.000 0.490 132 R N 1.552 122.074 120.500 0.037 0.000 2.748 132 R HA 0.440 4.781 4.340 0.002 0.000 0.283 132 R C -0.444 175.877 176.300 0.034 0.000 1.507 132 R CA -0.278 55.842 56.100 0.033 0.000 1.666 132 R CB 0.179 30.488 30.300 0.014 0.000 1.237 132 R HN 0.426 nan 8.270 nan 0.000 0.633 133 L N 2.174 123.429 121.223 0.053 0.000 2.417 133 L HA 0.457 4.798 4.340 0.002 0.000 0.268 133 L C -1.635 175.265 176.870 0.049 0.000 1.158 133 L CA -2.020 52.851 54.840 0.051 0.000 0.819 133 L CB 0.400 42.501 42.059 0.069 0.000 1.112 133 L HN 0.122 nan 8.230 nan 0.000 0.458 134 P HA 0.026 nan 4.420 nan 0.000 0.267 134 P C -0.750 176.583 177.300 0.056 0.000 1.200 134 P CA -0.080 63.037 63.100 0.029 0.000 0.772 134 P CB 0.915 32.617 31.700 0.003 0.000 0.855 135 V N 4.487 124.446 119.914 0.076 0.000 2.483 135 V HA 0.397 4.518 4.120 0.002 0.000 0.295 135 V C 0.624 176.783 176.094 0.108 0.000 1.035 135 V CA -0.399 61.966 62.300 0.108 0.000 0.896 135 V CB 1.243 33.144 31.823 0.129 0.000 0.986 135 V HN 0.497 nan 8.190 nan 0.000 0.447 136 M N 4.429 124.114 119.600 0.141 0.000 2.085 136 M HA 0.453 4.934 4.480 0.002 0.000 0.309 136 M C -1.203 175.374 176.300 0.461 0.000 0.947 136 M CA -0.525 54.877 55.300 0.171 0.000 0.918 136 M CB 1.956 34.523 32.600 -0.055 0.000 1.504 136 M HN 0.378 nan 8.290 nan 0.000 0.420 137 V N 3.635 123.842 119.914 0.488 0.000 2.364 137 V HA 0.270 4.391 4.120 0.002 0.000 0.272 137 V C -0.636 175.758 176.094 0.499 0.000 1.036 137 V CA -0.475 62.081 62.300 0.427 0.000 0.880 137 V CB 0.986 32.937 31.823 0.212 0.000 0.991 137 V HN 0.833 nan 8.190 nan 0.000 0.460 138 W N 7.277 128.635 121.300 0.096 0.000 2.349 138 W HA 0.565 5.226 4.660 0.002 0.000 0.309 138 W C -1.130 175.263 176.519 -0.210 0.000 1.083 138 W CA -0.963 56.161 57.345 -0.369 0.000 1.224 138 W CB 1.299 30.518 29.460 -0.401 0.000 1.256 138 W HN 0.454 nan 8.180 nan 0.000 0.461 139 I N 8.527 128.511 120.570 -0.976 0.000 2.310 139 I HA 0.012 4.183 4.170 0.002 0.000 0.287 139 I C 1.297 176.717 176.117 -1.162 0.000 1.073 139 I CA -0.644 60.187 61.300 -0.782 0.000 1.216 139 I CB 0.113 37.761 38.000 -0.587 0.000 1.415 139 I HN 0.391 nan 8.210 nan 0.000 0.480 140 H N 4.641 123.215 119.070 -0.826 0.000 2.935 140 H HA 0.221 4.778 4.556 0.002 0.000 0.376 140 H C 0.009 175.250 175.328 -0.145 0.000 1.307 140 H CA -0.022 55.726 56.048 -0.500 0.000 1.442 140 H CB 0.692 30.499 29.762 0.076 0.000 1.427 140 H HN 0.554 nan 8.280 nan 0.000 0.615 141 G N -2.172 106.702 108.800 0.124 0.000 2.887 141 G HA2 0.504 4.465 3.960 0.002 0.000 0.277 141 G HA3 0.504 4.465 3.960 0.002 0.000 0.277 141 G C 0.114 175.196 174.900 0.304 0.000 1.346 141 G CA -0.784 44.398 45.100 0.136 0.000 1.058 141 G HN 1.182 nan 8.290 nan 0.000 0.535 142 G N -2.428 106.489 108.800 0.195 0.000 2.507 142 G HA2 0.434 4.395 3.960 0.002 0.000 0.225 142 G HA3 0.434 4.395 3.960 0.002 0.000 0.225 142 G C 0.924 175.870 174.900 0.077 0.000 1.078 142 G CA 0.735 45.917 45.100 0.136 0.000 0.939 142 G HN 2.269 nan 8.290 nan 0.000 0.538 143 G N 0.193 109.032 108.800 0.064 0.000 2.296 143 G HA2 -0.179 3.782 3.960 0.002 0.000 0.282 143 G HA3 -0.179 3.782 3.960 0.002 0.000 0.282 143 G C 1.173 176.023 174.900 -0.083 0.000 1.014 143 G CA 0.697 45.791 45.100 -0.010 0.000 0.812 143 G HN 1.772 nan 8.290 nan 0.000 0.508 144 L N -3.663 117.533 121.223 -0.045 0.000 4.367 144 L HA -0.297 4.044 4.340 0.002 0.000 0.424 144 L C 1.971 178.835 176.870 -0.009 0.000 1.152 144 L CA 1.595 56.386 54.840 -0.081 0.000 0.974 144 L CB -1.355 40.367 42.059 -0.561 0.000 2.012 144 L HN 0.480 nan 8.230 nan 0.000 0.922 145 M N -1.795 117.813 119.600 0.014 0.000 2.532 145 M HA 0.287 4.768 4.480 0.002 0.000 0.244 145 M C 0.845 177.185 176.300 0.067 0.000 1.390 145 M CA 1.195 56.516 55.300 0.034 0.000 1.132 145 M CB 0.481 33.072 32.600 -0.015 0.000 1.466 145 M HN 0.192 nan 8.290 nan 0.000 0.550 146 V N -2.084 117.866 119.914 0.059 0.000 3.145 146 V HA 1.057 5.178 4.120 0.002 0.000 0.311 146 V C -0.024 176.117 176.094 0.078 0.000 1.238 146 V CA -0.234 62.088 62.300 0.037 0.000 1.066 146 V CB 1.034 32.859 31.823 0.003 0.000 1.144 146 V HN 0.577 nan 8.190 nan 0.000 0.465 147 G N -1.066 107.721 108.800 -0.021 0.000 2.497 147 G HA2 0.569 4.530 3.960 0.002 0.000 0.686 147 G HA3 0.569 4.530 3.960 0.002 0.000 0.686 147 G C -0.596 173.998 174.900 -0.511 0.000 1.288 147 G CA -0.177 44.851 45.100 -0.120 0.000 0.899 147 G HN 2.671 nan 8.290 nan 0.000 0.608 148 A N -1.206 121.132 122.820 -0.804 0.000 2.586 148 A HA 1.050 5.371 4.320 0.002 0.000 0.290 148 A C 0.627 178.019 177.584 -0.319 0.000 1.086 148 A CA 0.696 52.389 52.037 -0.573 0.000 0.665 148 A CB 0.772 19.623 19.000 -0.247 0.000 1.279 148 A HN 2.571 nan 8.150 nan 0.000 0.423 149 A N -0.264 122.548 122.820 -0.014 0.000 2.147 149 A HA 0.310 4.631 4.320 0.002 0.000 0.211 149 A C 1.697 179.446 177.584 0.275 0.000 1.160 149 A CA 1.708 53.907 52.037 0.270 0.000 0.781 149 A CB -0.411 18.774 19.000 0.308 0.000 0.842 149 A HN 0.954 nan 8.150 nan 0.000 0.475 150 S N -0.274 115.503 115.700 0.127 0.000 2.481 150 S HA -0.087 4.384 4.470 0.002 0.000 0.231 150 S C 1.872 176.415 174.600 -0.096 0.000 0.996 150 S CA 1.403 59.646 58.200 0.073 0.000 0.942 150 S CB -0.297 62.883 63.200 -0.032 0.000 0.768 150 S HN 0.636 nan 8.310 nan 0.000 0.520 151 T N 1.247 115.721 114.554 -0.133 0.000 2.684 151 T HA -0.082 4.269 4.350 0.002 0.000 0.267 151 T C -0.020 174.391 174.700 -0.482 0.000 1.036 151 T CA 1.181 63.063 62.100 -0.363 0.000 1.148 151 T CB -0.312 68.240 68.868 -0.527 0.000 0.863 151 T HN 0.393 nan 8.240 nan 0.000 0.436 152 Y N 2.009 122.165 120.300 -0.240 0.000 2.404 152 Y HA 0.406 4.957 4.550 0.002 0.000 0.344 152 Y C 0.283 175.993 175.900 -0.316 0.000 0.995 152 Y CA -1.883 55.908 58.100 -0.516 0.000 1.201 152 Y CB 0.171 38.024 38.460 -1.012 0.000 1.151 152 Y HN -0.022 nan 8.280 nan 0.000 0.517 153 D N 2.032 122.310 120.400 -0.203 0.000 2.225 153 D HA 0.236 4.877 4.640 0.002 0.000 0.248 153 D C 0.853 176.934 176.300 -0.365 0.000 1.096 153 D CA -0.217 53.656 54.000 -0.212 0.000 0.863 153 D CB 1.813 42.556 40.800 -0.095 0.000 1.156 153 D HN 0.817 nan 8.370 nan 0.000 0.450 154 G N 2.957 111.055 108.800 -1.170 0.000 3.088 154 G HA2 -0.089 3.871 3.960 0.002 0.000 0.217 154 G HA3 -0.089 3.871 3.960 0.002 0.000 0.217 154 G C 1.348 175.973 174.900 -0.458 0.000 1.159 154 G CA -0.084 44.552 45.100 -0.773 0.000 0.760 154 G HN 0.468 nan 8.290 nan 0.000 0.550 155 L N 1.977 122.977 121.223 -0.371 0.000 1.991 155 L HA -0.160 4.181 4.340 0.002 0.000 0.221 155 L C 2.892 179.720 176.870 -0.070 0.000 1.079 155 L CA 2.631 57.456 54.840 -0.026 0.000 0.778 155 L CB -0.904 41.192 42.059 0.062 0.000 0.893 155 L HN 0.231 nan 8.230 nan 0.000 0.437 156 A N -0.855 121.914 122.820 -0.084 0.000 1.834 156 A HA -0.237 4.083 4.320 0.002 0.000 0.216 156 A C 2.260 179.746 177.584 -0.163 0.000 1.203 156 A CA 2.053 54.017 52.037 -0.122 0.000 0.621 156 A CB -1.362 17.567 19.000 -0.118 0.000 0.841 156 A HN 0.520 nan 8.150 nan 0.000 0.446 157 L N -0.152 120.965 121.223 -0.176 0.000 2.051 157 L HA -0.221 4.120 4.340 0.002 0.000 0.214 157 L C 2.677 179.489 176.870 -0.097 0.000 1.076 157 L CA 2.535 57.270 54.840 -0.175 0.000 0.758 157 L CB -0.909 40.992 42.059 -0.262 0.000 0.890 157 L HN 0.427 nan 8.230 nan 0.000 0.433 158 A N -0.822 121.957 122.820 -0.069 0.000 1.858 158 A HA -0.105 4.216 4.320 0.002 0.000 0.216 158 A C 2.442 179.982 177.584 -0.075 0.000 1.190 158 A CA 2.172 54.201 52.037 -0.013 0.000 0.617 158 A CB -1.248 17.798 19.000 0.075 0.000 0.827 158 A HN 0.595 nan 8.150 nan 0.000 0.443 159 A N -1.257 121.441 122.820 -0.203 0.000 1.855 159 A HA -0.164 4.157 4.320 0.002 0.000 0.215 159 A C 2.080 179.369 177.584 -0.492 0.000 1.191 159 A CA 1.493 53.223 52.037 -0.513 0.000 0.613 159 A CB -1.036 17.354 19.000 -1.016 0.000 0.829 159 A HN 0.699 nan 8.150 nan 0.000 0.442 160 H N -0.796 118.013 119.070 -0.435 0.000 2.321 160 H HA -0.068 4.489 4.556 0.002 0.000 0.300 160 H C 1.243 176.552 175.328 -0.032 0.000 1.087 160 H CA 1.602 57.572 56.048 -0.130 0.000 1.319 160 H CB 0.222 29.844 29.762 -0.234 0.000 1.379 160 H HN 0.417 nan 8.280 nan 0.000 0.501 161 E N 0.084 120.314 120.200 0.050 0.000 2.481 161 E HA 0.007 4.358 4.350 0.002 0.000 0.198 161 E C -0.014 176.605 176.600 0.031 0.000 1.027 161 E CA -0.206 56.218 56.400 0.039 0.000 0.900 161 E CB 0.110 29.826 29.700 0.025 0.000 0.993 161 E HN 0.344 nan 8.360 nan 0.000 0.482 162 N N 0.633 119.346 118.700 0.022 0.000 2.699 162 N HA -0.141 4.600 4.740 0.002 0.000 0.257 162 N C -0.811 174.724 175.510 0.041 0.000 1.077 162 N CA 0.740 53.811 53.050 0.035 0.000 0.702 162 N CB -0.939 37.577 38.487 0.047 0.000 0.886 162 N HN 0.021 nan 8.380 nan 0.000 0.549 163 V N -2.568 117.371 119.914 0.042 0.000 3.007 163 V HA 0.695 4.816 4.120 0.002 0.000 0.311 163 V C 0.396 176.544 176.094 0.089 0.000 1.120 163 V CA -0.963 61.369 62.300 0.054 0.000 0.980 163 V CB 2.231 34.070 31.823 0.027 0.000 1.033 163 V HN -0.100 nan 8.190 nan 0.000 0.429 164 V N 2.932 122.915 119.914 0.115 0.000 2.461 164 V HA 0.438 4.559 4.120 0.002 0.000 0.275 164 V C 0.164 176.369 176.094 0.185 0.000 1.047 164 V CA -0.235 62.163 62.300 0.162 0.000 0.955 164 V CB 1.265 33.185 31.823 0.163 0.000 0.988 164 V HN 0.735 nan 8.190 nan 0.000 0.471 165 V N 5.974 126.038 119.914 0.249 0.000 2.398 165 V HA 0.491 4.612 4.120 0.002 0.000 0.286 165 V C -0.139 176.192 176.094 0.396 0.000 1.026 165 V CA -0.460 62.027 62.300 0.311 0.000 0.868 165 V CB 1.865 33.849 31.823 0.268 0.000 0.982 165 V HN 0.615 nan 8.190 nan 0.000 0.443 166 V N 3.896 124.034 119.914 0.374 0.000 2.540 166 V HA 0.609 4.730 4.120 0.002 0.000 0.302 166 V C 0.077 176.398 176.094 0.378 0.000 1.035 166 V CA -0.521 61.972 62.300 0.321 0.000 0.873 166 V CB 2.348 34.298 31.823 0.211 0.000 0.992 166 V HN 0.993 nan 8.190 nan 0.000 0.428 167 T N 3.187 117.965 114.554 0.373 0.000 2.786 167 T HA 0.798 5.149 4.350 0.002 0.000 0.283 167 T C -0.486 174.386 174.700 0.287 0.000 0.992 167 T CA -0.498 61.841 62.100 0.398 0.000 0.954 167 T CB 1.304 70.454 68.868 0.471 0.000 0.934 167 T HN 0.664 nan 8.240 nan 0.000 0.440 168 I N 0.166 120.881 120.570 0.242 0.000 2.863 168 I HA 0.697 4.867 4.170 0.002 0.000 0.311 168 I C -0.658 175.672 176.117 0.354 0.000 1.026 168 I CA -1.259 60.167 61.300 0.210 0.000 1.077 168 I CB 1.955 39.972 38.000 0.029 0.000 1.262 168 I HN 0.546 nan 8.210 nan 0.000 0.461 169 Q N 1.989 122.039 119.800 0.416 0.000 2.433 169 Q HA 0.584 4.925 4.340 0.002 0.000 0.279 169 Q C -1.900 174.408 176.000 0.514 0.000 1.105 169 Q CA -0.803 55.252 55.803 0.419 0.000 0.815 169 Q CB 2.896 31.794 28.738 0.267 0.000 1.403 169 Q HN 0.730 nan 8.270 nan 0.000 0.435 170 Y N -2.724 117.740 120.300 0.273 0.000 2.609 170 Y HA 0.529 5.080 4.550 0.002 0.000 0.336 170 Y C -0.955 175.042 175.900 0.162 0.000 1.129 170 Y CA -1.466 56.761 58.100 0.212 0.000 1.040 170 Y CB 0.815 39.361 38.460 0.143 0.000 1.310 170 Y HN 0.401 nan 8.280 nan 0.000 0.460 171 R N 2.134 122.743 120.500 0.180 0.000 2.522 171 R HA 0.380 4.721 4.340 0.002 0.000 0.284 171 R C -0.751 175.642 176.300 0.156 0.000 1.032 171 R CA 0.099 56.261 56.100 0.102 0.000 1.049 171 R CB 0.182 30.560 30.300 0.129 0.000 0.956 171 R HN 0.662 nan 8.270 nan 0.000 0.422 172 L N 1.505 122.834 121.223 0.176 0.000 2.298 172 L HA 0.537 4.878 4.340 0.002 0.000 0.268 172 L C 1.387 178.532 176.870 0.459 0.000 1.010 172 L CA -0.622 54.411 54.840 0.321 0.000 0.812 172 L CB 0.973 43.116 42.059 0.139 0.000 1.331 172 L HN 0.864 nan 8.230 nan 0.000 0.450 173 G N 0.260 109.309 108.800 0.415 0.000 2.602 173 G HA2 -0.329 3.632 3.960 0.002 0.000 0.306 173 G HA3 -0.329 3.632 3.960 0.002 0.000 0.306 173 G C 0.803 175.943 174.900 0.400 0.000 1.301 173 G CA 0.604 45.902 45.100 0.330 0.000 0.974 173 G HN 0.668 nan 8.290 nan 0.000 0.547 174 I N -0.771 119.968 120.570 0.282 0.000 2.163 174 I HA -0.203 3.968 4.170 0.002 0.000 0.243 174 I C 2.802 179.135 176.117 0.360 0.000 1.085 174 I CA 2.346 63.778 61.300 0.220 0.000 1.347 174 I CB -0.412 37.514 38.000 -0.123 0.000 1.044 174 I HN 0.554 nan 8.210 nan 0.000 0.408 175 W N 0.982 122.447 121.300 0.275 0.000 2.325 175 W HA -0.144 4.517 4.660 0.002 0.000 0.299 175 W C 2.307 178.942 176.519 0.194 0.000 1.215 175 W CA 1.458 58.867 57.345 0.106 0.000 1.244 175 W CB -0.789 28.655 29.460 -0.028 0.000 1.140 175 W HN 0.270 nan 8.180 nan 0.000 0.523 176 G N -2.842 106.201 108.800 0.405 0.000 2.939 176 G HA2 0.095 4.056 3.960 0.002 0.000 0.216 176 G HA3 0.095 4.056 3.960 0.002 0.000 0.216 176 G C 0.596 175.191 174.900 -0.508 0.000 1.125 176 G CA -0.047 45.070 45.100 0.029 0.000 0.766 176 G HN 0.118 nan 8.290 nan 0.000 0.541 177 F N -0.710 119.444 119.950 0.341 0.000 2.838 177 F HA 0.410 4.938 4.527 0.001 0.000 0.329 177 F C 0.221 176.076 175.800 0.090 0.000 1.116 177 F CA -1.654 56.393 58.000 0.078 0.000 1.155 177 F CB 0.298 39.278 39.000 -0.033 0.000 1.106 177 F HN 0.006 nan 8.300 nan 0.000 0.538 178 F N 2.234 122.371 119.950 0.311 0.000 2.571 178 F HA 0.341 4.869 4.527 0.002 0.000 0.384 178 F C 0.431 176.298 175.800 0.113 0.000 1.058 178 F CA 0.266 58.362 58.000 0.160 0.000 1.200 178 F CB 0.421 39.432 39.000 0.018 0.000 1.077 178 F HN -0.081 nan 8.300 nan 0.000 0.558 179 S N 3.578 118.782 115.700 -0.826 0.000 2.538 179 S HA 0.397 4.868 4.470 0.002 0.000 0.288 179 S C 0.336 174.521 174.600 -0.692 0.000 1.108 179 S CA -0.070 57.766 58.200 -0.607 0.000 0.971 179 S CB 1.480 64.487 63.200 -0.321 0.000 1.041 179 S HN 0.799 nan 8.310 nan 0.000 0.483 180 T N 0.644 114.954 114.554 -0.407 0.000 3.069 180 T HA 0.404 4.755 4.350 0.002 0.000 0.252 180 T C 1.492 176.122 174.700 -0.117 0.000 1.053 180 T CA 0.535 62.497 62.100 -0.230 0.000 0.964 180 T CB -0.001 68.839 68.868 -0.047 0.000 1.005 180 T HN 1.726 nan 8.240 nan 0.000 0.532 181 G N 2.334 111.058 108.800 -0.126 0.000 2.184 181 G HA2 -0.245 3.716 3.960 0.002 0.000 0.264 181 G HA3 -0.245 3.716 3.960 0.002 0.000 0.264 181 G C -0.202 174.676 174.900 -0.037 0.000 0.975 181 G CA 0.430 45.481 45.100 -0.080 0.000 0.642 181 G HN 0.885 nan 8.290 nan 0.000 0.536 182 D N -1.025 119.373 120.400 -0.003 0.000 2.687 182 D HA 0.445 5.086 4.640 0.002 0.000 0.264 182 D C 1.365 177.678 176.300 0.022 0.000 1.091 182 D CA -0.108 53.906 54.000 0.023 0.000 1.123 182 D CB -0.071 40.776 40.800 0.079 0.000 1.407 182 D HN 0.169 nan 8.370 nan 0.000 0.591 183 E N -0.124 120.054 120.200 -0.036 0.000 2.333 183 E HA -0.243 4.108 4.350 0.002 0.000 0.198 183 E C 0.964 177.510 176.600 -0.090 0.000 1.007 183 E CA 1.155 57.504 56.400 -0.084 0.000 0.845 183 E CB -0.595 29.008 29.700 -0.163 0.000 0.766 183 E HN 0.494 nan 8.360 nan 0.000 0.507 184 H N 0.454 119.580 119.070 0.094 0.000 2.524 184 H HA 0.111 4.668 4.556 0.002 0.000 0.282 184 H C 0.412 175.851 175.328 0.185 0.000 1.016 184 H CA 1.288 57.407 56.048 0.117 0.000 1.270 184 H CB 0.442 30.257 29.762 0.089 0.000 1.394 184 H HN 0.149 nan 8.280 nan 0.000 0.568 185 S N -0.353 115.530 115.700 0.305 0.000 2.891 185 S HA 0.161 4.632 4.470 0.002 0.000 0.141 185 S C 0.815 175.590 174.600 0.291 0.000 0.993 185 S CA -0.586 57.893 58.200 0.464 0.000 1.051 185 S CB 0.105 63.557 63.200 0.421 0.000 1.657 185 S HN 0.172 nan 8.310 nan 0.000 0.482 186 R N 1.511 122.132 120.500 0.202 0.000 2.112 186 R HA 0.130 4.471 4.340 0.002 0.000 0.242 186 R C 1.395 177.483 176.300 -0.354 0.000 1.137 186 R CA 1.652 57.696 56.100 -0.093 0.000 0.944 186 R CB -0.344 29.891 30.300 -0.109 0.000 0.857 186 R HN 0.926 nan 8.270 nan 0.000 0.435 187 G N -1.243 106.998 108.800 -0.931 0.000 2.434 187 G HA2 -0.165 3.796 3.960 0.002 0.000 0.671 187 G HA3 -0.165 3.796 3.960 0.002 0.000 0.671 187 G C -0.726 173.415 174.900 -1.264 0.000 1.280 187 G CA -0.398 43.995 45.100 -1.178 0.000 0.975 187 G HN 0.268 nan 8.290 nan 0.000 0.510 188 N N -1.380 116.841 118.700 -0.799 0.000 2.818 188 N HA -0.191 4.550 4.740 0.002 0.000 0.250 188 N C 1.242 176.446 175.510 -0.509 0.000 1.108 188 N CA 1.899 54.678 53.050 -0.451 0.000 0.745 188 N CB -1.671 36.724 38.487 -0.153 0.000 1.104 188 N HN 0.739 nan 8.380 nan 0.000 0.557 189 W N 0.790 121.951 121.300 -0.232 0.000 2.318 189 W HA -0.172 4.489 4.660 0.002 0.000 0.313 189 W C 2.527 178.905 176.519 -0.236 0.000 1.221 189 W CA 0.957 58.209 57.345 -0.156 0.000 1.266 189 W CB -0.818 28.592 29.460 -0.082 0.000 1.150 189 W HN 0.305 nan 8.180 nan 0.000 0.496 190 G N 0.048 108.578 108.800 -0.450 0.000 2.476 190 G HA2 -0.313 3.648 3.960 0.002 0.000 0.218 190 G HA3 -0.313 3.648 3.960 0.002 0.000 0.218 190 G C 1.198 176.055 174.900 -0.070 0.000 1.164 190 G CA 1.604 46.527 45.100 -0.296 0.000 0.768 190 G HN 0.298 nan 8.290 nan 0.000 0.560 191 H N 0.307 119.342 119.070 -0.058 0.000 2.389 191 H HA 0.084 4.641 4.556 0.002 0.000 0.299 191 H C 2.760 178.071 175.328 -0.029 0.000 1.081 191 H CA 0.815 56.831 56.048 -0.053 0.000 1.345 191 H CB -0.375 29.369 29.762 -0.030 0.000 1.393 191 H HN 0.271 nan 8.280 nan 0.000 0.520 192 L N 0.406 121.707 121.223 0.129 0.000 2.046 192 L HA -0.169 4.172 4.340 0.002 0.000 0.208 192 L C 2.137 179.109 176.870 0.169 0.000 1.077 192 L CA 1.115 56.039 54.840 0.140 0.000 0.747 192 L CB -0.289 41.881 42.059 0.185 0.000 0.896 192 L HN 0.146 nan 8.230 nan 0.000 0.432 193 D N -0.100 120.424 120.400 0.206 0.000 2.104 193 D HA -0.222 4.419 4.640 0.002 0.000 0.194 193 D C 2.208 178.647 176.300 0.232 0.000 0.994 193 D CA 1.201 55.389 54.000 0.315 0.000 0.830 193 D CB -0.197 40.826 40.800 0.371 0.000 0.959 193 D HN 0.374 nan 8.370 nan 0.000 0.452 194 Q N 0.254 120.117 119.800 0.106 0.000 2.029 194 Q HA -0.152 4.188 4.340 0.002 0.000 0.209 194 Q C 2.439 178.401 176.000 -0.063 0.000 0.999 194 Q CA 1.328 57.101 55.803 -0.050 0.000 0.857 194 Q CB -0.147 28.512 28.738 -0.131 0.000 0.926 194 Q HN 0.127 nan 8.270 nan 0.000 0.415 195 V N 0.796 120.709 119.914 -0.001 0.000 2.392 195 V HA -0.329 3.792 4.120 0.002 0.000 0.249 195 V C 2.219 178.340 176.094 0.045 0.000 1.059 195 V CA 1.728 64.039 62.300 0.017 0.000 1.051 195 V CB -1.139 30.711 31.823 0.045 0.000 0.658 195 V HN 0.463 nan 8.190 nan 0.000 0.455 196 A N 0.236 123.115 122.820 0.098 0.000 1.873 196 A HA -0.225 4.096 4.320 0.002 0.000 0.218 196 A C 2.480 180.103 177.584 0.066 0.000 1.193 196 A CA 2.491 54.639 52.037 0.185 0.000 0.629 196 A CB -0.981 18.253 19.000 0.390 0.000 0.826 196 A HN 0.610 nan 8.150 nan 0.000 0.447 197 A N -0.420 122.187 122.820 -0.355 0.000 1.908 197 A HA -0.103 4.218 4.320 0.002 0.000 0.218 197 A C 2.195 179.707 177.584 -0.120 0.000 1.181 197 A CA 1.642 53.267 52.037 -0.687 0.000 0.627 197 A CB -0.663 17.751 19.000 -0.978 0.000 0.818 197 A HN 0.502 nan 8.150 nan 0.000 0.445 198 L N -1.079 120.111 121.223 -0.056 0.000 2.083 198 L HA -0.197 4.144 4.340 0.002 0.000 0.209 198 L C 2.894 179.820 176.870 0.094 0.000 1.083 198 L CA 1.288 56.152 54.840 0.040 0.000 0.752 198 L CB -0.516 41.566 42.059 0.038 0.000 0.899 198 L HN 0.389 nan 8.230 nan 0.000 0.433 199 R N -0.979 119.584 120.500 0.105 0.000 2.081 199 R HA -0.223 4.117 4.340 0.002 0.000 0.235 199 R C 2.059 178.443 176.300 0.139 0.000 1.131 199 R CA 1.864 58.031 56.100 0.111 0.000 0.960 199 R CB -0.678 29.698 30.300 0.127 0.000 0.856 199 R HN 0.410 nan 8.270 nan 0.000 0.436 200 W N 1.538 122.863 121.300 0.042 0.000 2.335 200 W HA -0.243 4.418 4.660 0.001 0.000 0.311 200 W C 2.000 178.544 176.519 0.042 0.000 1.213 200 W CA 1.523 58.912 57.345 0.073 0.000 1.274 200 W CB -0.293 29.236 29.460 0.114 0.000 1.148 200 W HN -0.232 nan 8.180 nan 0.000 0.498 201 V N 0.918 121.014 119.914 0.303 0.000 2.332 201 V HA -0.379 3.742 4.120 0.002 0.000 0.248 201 V C 2.560 178.642 176.094 -0.020 0.000 1.055 201 V CA 2.184 64.582 62.300 0.163 0.000 1.038 201 V CB -1.115 30.823 31.823 0.191 0.000 0.651 201 V HN 0.253 nan 8.190 nan 0.000 0.450 202 Q N -0.025 119.776 119.800 0.001 0.000 2.061 202 Q HA -0.215 4.126 4.340 0.002 0.000 0.204 202 Q C 1.825 177.765 176.000 -0.100 0.000 0.984 202 Q CA 1.715 57.507 55.803 -0.018 0.000 0.846 202 Q CB -0.524 28.218 28.738 0.008 0.000 0.902 202 Q HN 0.675 nan 8.270 nan 0.000 0.421 203 D N -0.456 119.833 120.400 -0.186 0.000 2.349 203 D HA 0.023 4.664 4.640 0.002 0.000 0.224 203 D C 0.846 176.914 176.300 -0.387 0.000 1.029 203 D CA 0.262 54.109 54.000 -0.255 0.000 0.879 203 D CB 0.192 40.836 40.800 -0.260 0.000 0.906 203 D HN 0.284 nan 8.370 nan 0.000 0.528 204 N N -0.289 118.123 118.700 -0.479 0.000 2.209 204 N HA -0.020 4.721 4.740 0.002 0.000 0.249 204 N C 1.495 176.909 175.510 -0.158 0.000 1.146 204 N CA -0.272 52.471 53.050 -0.511 0.000 0.800 204 N CB 0.476 38.201 38.487 -1.270 0.000 1.521 204 N HN -0.062 nan 8.380 nan 0.000 0.498 205 I N 2.963 123.460 120.570 -0.121 0.000 2.597 205 I HA -0.194 3.977 4.170 0.002 0.000 0.262 205 I C 2.065 178.299 176.117 0.195 0.000 1.194 205 I CA 0.671 62.042 61.300 0.117 0.000 1.437 205 I CB -0.283 37.767 38.000 0.083 0.000 1.096 205 I HN 0.167 nan 8.210 nan 0.000 0.451 206 A N -1.209 121.658 122.820 0.079 0.000 1.969 206 A HA -0.143 4.178 4.320 0.002 0.000 0.218 206 A C 2.338 179.952 177.584 0.050 0.000 1.169 206 A CA 1.740 53.809 52.037 0.052 0.000 0.635 206 A CB -0.789 18.206 19.000 -0.007 0.000 0.810 206 A HN 0.420 nan 8.150 nan 0.000 0.445 207 S N -0.967 114.745 115.700 0.021 0.000 2.603 207 S HA 0.092 4.563 4.470 0.002 0.000 0.229 207 S C 0.007 174.363 174.600 -0.408 0.000 0.972 207 S CA 0.449 58.531 58.200 -0.196 0.000 0.935 207 S CB -0.431 62.569 63.200 -0.333 0.000 0.769 207 S HN 0.532 nan 8.310 nan 0.000 0.536 208 F N 0.190 120.117 119.950 -0.039 0.000 2.814 208 F HA 0.388 4.916 4.527 0.002 0.000 0.326 208 F C 1.338 177.163 175.800 0.041 0.000 1.159 208 F CA -0.593 57.395 58.000 -0.020 0.000 1.234 208 F CB 0.159 39.131 39.000 -0.047 0.000 1.016 208 F HN 0.116 nan 8.300 nan 0.000 0.510 209 G N 0.650 109.544 108.800 0.157 0.000 2.160 209 G HA2 -0.142 3.819 3.960 0.002 0.000 0.251 209 G HA3 -0.142 3.819 3.960 0.002 0.000 0.251 209 G C 0.498 175.475 174.900 0.127 0.000 1.008 209 G CA -0.015 45.160 45.100 0.125 0.000 0.724 209 G HN 0.812 nan 8.290 nan 0.000 0.514 210 G N -0.792 108.093 108.800 0.142 0.000 2.417 210 G HA2 0.520 4.481 3.960 0.002 0.000 0.334 210 G HA3 0.520 4.481 3.960 0.002 0.000 0.334 210 G C -0.433 174.514 174.900 0.078 0.000 1.150 210 G CA -0.443 44.727 45.100 0.116 0.000 0.923 210 G HN 0.422 nan 8.290 nan 0.000 0.485 211 N N 1.745 120.481 118.700 0.060 0.000 2.500 211 N HA 0.297 5.038 4.740 0.002 0.000 0.236 211 N C -0.941 174.596 175.510 0.044 0.000 1.022 211 N CA -2.399 50.670 53.050 0.033 0.000 0.935 211 N CB 1.780 40.271 38.487 0.007 0.000 1.147 211 N HN 0.122 nan 8.380 nan 0.000 0.512 212 P HA -0.075 nan 4.420 nan 0.000 0.223 212 P C 0.818 178.185 177.300 0.112 0.000 1.144 212 P CA 0.867 64.011 63.100 0.073 0.000 0.783 212 P CB 0.167 31.887 31.700 0.034 0.000 0.771 213 G N -0.994 107.809 108.800 0.005 0.000 3.141 213 G HA2 0.032 3.993 3.960 0.002 0.000 0.218 213 G HA3 0.032 3.993 3.960 0.002 0.000 0.218 213 G C 0.656 175.270 174.900 -0.477 0.000 1.170 213 G CA 0.116 45.119 45.100 -0.162 0.000 0.769 213 G HN 0.346 nan 8.290 nan 0.000 0.546 214 S N 0.236 115.857 115.700 -0.133 0.000 2.569 214 S HA 0.388 4.859 4.470 0.002 0.000 0.215 214 S C -0.407 174.300 174.600 0.178 0.000 1.096 214 S CA -0.388 57.773 58.200 -0.066 0.000 1.183 214 S CB 0.073 63.226 63.200 -0.079 0.000 1.324 214 S HN -0.050 nan 8.310 nan 0.000 0.421 215 V N 2.780 122.977 119.914 0.472 0.000 2.465 215 V HA 0.492 4.613 4.120 0.002 0.000 0.279 215 V C 0.279 176.503 176.094 0.217 0.000 1.045 215 V CA -0.182 62.279 62.300 0.270 0.000 0.938 215 V CB 1.431 33.379 31.823 0.208 0.000 0.986 215 V HN 0.594 nan 8.190 nan 0.000 0.467 216 T N 6.121 120.763 114.554 0.147 0.000 2.792 216 T HA 0.635 4.986 4.350 0.002 0.000 0.280 216 T C -0.232 174.562 174.700 0.157 0.000 0.990 216 T CA -0.258 61.913 62.100 0.118 0.000 0.960 216 T CB 1.146 70.021 68.868 0.012 0.000 0.939 216 T HN 0.622 nan 8.240 nan 0.000 0.439 217 I N 1.066 121.720 120.570 0.141 0.000 2.437 217 I HA 0.891 5.062 4.170 0.002 0.000 0.298 217 I C -1.076 175.227 176.117 0.309 0.000 0.984 217 I CA -1.126 60.270 61.300 0.160 0.000 1.214 217 I CB 1.156 39.046 38.000 -0.183 0.000 1.365 217 I HN 0.520 nan 8.210 nan 0.000 0.469 218 F N 2.807 122.772 119.950 0.026 0.000 2.615 218 F HA 0.956 5.484 4.527 0.001 0.000 0.312 218 F C -0.494 175.260 175.800 -0.077 0.000 1.119 218 F CA -1.598 56.455 58.000 0.088 0.000 0.979 218 F CB 1.047 40.221 39.000 0.290 0.000 1.266 218 F HN 0.773 nan 8.300 nan 0.000 0.444 219 G N 1.111 109.770 108.800 -0.235 0.000 2.680 219 G HA2 0.567 4.528 3.960 0.002 0.000 0.290 219 G HA3 0.567 4.528 3.960 0.002 0.000 0.290 219 G C -2.157 172.505 174.900 -0.397 0.000 1.355 219 G CA -0.768 43.863 45.100 -0.781 0.000 0.903 219 G HN 0.735 nan 8.290 nan 0.000 0.474 220 E N 0.218 120.134 120.200 -0.473 0.000 2.210 220 E HA 0.572 4.923 4.350 0.002 0.000 0.266 220 E C 0.489 177.125 176.600 0.060 0.000 0.883 220 E CA 0.097 56.499 56.400 0.004 0.000 0.761 220 E CB 1.981 31.855 29.700 0.290 0.000 1.156 220 E HN 0.722 nan 8.360 nan 0.000 0.412 221 S N 3.155 118.961 115.700 0.177 0.000 4.064 221 S HA -0.391 4.079 4.470 0.002 0.000 0.625 221 S C 1.495 176.191 174.600 0.160 0.000 2.010 221 S CA 2.018 60.415 58.200 0.329 0.000 4.186 221 S CB -1.533 61.946 63.200 0.465 0.000 0.211 221 S HN 0.914 nan 8.310 nan 0.000 0.605 222 A N 1.005 123.894 122.820 0.115 0.000 1.948 222 A HA 0.064 4.385 4.320 0.002 0.000 0.220 222 A C 2.584 180.120 177.584 -0.080 0.000 1.177 222 A CA 2.790 54.831 52.037 0.006 0.000 0.636 222 A CB -1.712 17.289 19.000 0.001 0.000 0.815 222 A HN 1.741 nan 8.150 nan 0.000 0.449 223 G N -0.773 107.936 108.800 -0.151 0.000 2.422 223 G HA2 0.034 3.995 3.960 0.002 0.000 0.218 223 G HA3 0.034 3.995 3.960 0.002 0.000 0.218 223 G C 1.521 176.262 174.900 -0.264 0.000 1.146 223 G CA 1.224 46.124 45.100 -0.333 0.000 0.769 223 G HN 0.730 nan 8.290 nan 0.000 0.547 224 G N 0.335 109.050 108.800 -0.142 0.000 2.418 224 G HA2 -0.197 3.764 3.960 0.002 0.000 0.217 224 G HA3 -0.197 3.764 3.960 0.002 0.000 0.217 224 G C 1.566 176.436 174.900 -0.050 0.000 1.158 224 G CA 1.185 46.257 45.100 -0.046 0.000 0.771 224 G HN 0.463 nan 8.290 nan 0.000 0.545 225 E N 0.830 120.998 120.200 -0.054 0.000 2.047 225 E HA -0.116 4.235 4.350 0.002 0.000 0.191 225 E C 2.687 179.198 176.600 -0.149 0.000 0.987 225 E CA 1.290 57.644 56.400 -0.078 0.000 0.799 225 E CB -0.286 29.373 29.700 -0.069 0.000 0.752 225 E HN 0.345 nan 8.360 nan 0.000 0.449 226 S N 0.518 116.120 115.700 -0.165 0.000 2.365 226 S HA -0.177 4.294 4.470 0.002 0.000 0.225 226 S C 2.183 176.580 174.600 -0.338 0.000 1.039 226 S CA 1.527 59.573 58.200 -0.257 0.000 1.033 226 S CB -0.479 62.572 63.200 -0.248 0.000 0.887 226 S HN 0.176 nan 8.310 nan 0.000 0.447 227 V N 1.371 121.106 119.914 -0.298 0.000 2.324 227 V HA -0.188 3.933 4.120 0.002 0.000 0.250 227 V C 2.564 178.446 176.094 -0.354 0.000 1.060 227 V CA 2.054 64.150 62.300 -0.341 0.000 1.042 227 V CB -0.945 30.746 31.823 -0.220 0.000 0.650 227 V HN 0.576 nan 8.190 nan 0.000 0.450 228 S N -0.647 114.925 115.700 -0.214 0.000 2.383 228 S HA -0.133 4.338 4.470 0.002 0.000 0.227 228 S C 1.931 176.376 174.600 -0.257 0.000 1.026 228 S CA 1.591 59.690 58.200 -0.167 0.000 0.981 228 S CB -0.120 63.064 63.200 -0.026 0.000 0.818 228 S HN 0.348 nan 8.310 nan 0.000 0.472 229 V N 2.041 121.773 119.914 -0.303 0.000 2.358 229 V HA -0.078 4.043 4.120 0.002 0.000 0.246 229 V C 2.343 178.235 176.094 -0.336 0.000 1.047 229 V CA 1.546 63.639 62.300 -0.345 0.000 1.035 229 V CB -0.630 30.886 31.823 -0.512 0.000 0.658 229 V HN 0.477 nan 8.190 nan 0.000 0.452 230 L N -0.349 120.652 121.223 -0.371 0.000 2.131 230 L HA -0.145 4.196 4.340 0.002 0.000 0.210 230 L C 2.381 179.152 176.870 -0.165 0.000 1.092 230 L CA 1.003 55.660 54.840 -0.304 0.000 0.759 230 L CB -0.586 41.190 42.059 -0.472 0.000 0.903 230 L HN 0.219 nan 8.230 nan 0.000 0.435 231 V N -0.088 119.673 119.914 -0.254 0.000 2.759 231 V HA -0.215 3.906 4.120 0.002 0.000 0.256 231 V C 2.087 177.994 176.094 -0.312 0.000 1.080 231 V CA 1.311 63.528 62.300 -0.137 0.000 1.101 231 V CB -0.186 31.412 31.823 -0.374 0.000 0.698 231 V HN 0.390 nan 8.190 nan 0.000 0.477 232 L N -1.100 119.905 121.223 -0.363 0.000 2.463 232 L HA 0.176 4.517 4.340 0.002 0.000 0.219 232 L C 1.338 178.055 176.870 -0.255 0.000 1.088 232 L CA 0.231 54.794 54.840 -0.462 0.000 0.849 232 L CB 0.059 41.908 42.059 -0.349 0.000 1.012 232 L HN 0.204 nan 8.230 nan 0.000 0.468 233 S N 0.119 115.721 115.700 -0.162 0.000 2.528 233 S HA 0.188 4.659 4.470 0.002 0.000 0.277 233 S C -1.565 173.026 174.600 -0.016 0.000 1.297 233 S CA -1.280 56.868 58.200 -0.087 0.000 1.052 233 S CB 1.173 64.317 63.200 -0.093 0.000 0.917 233 S HN -0.105 nan 8.310 nan 0.000 0.492 234 P HA -0.015 nan 4.420 nan 0.000 0.216 234 P C 1.274 178.586 177.300 0.020 0.000 1.153 234 P CA 0.935 64.044 63.100 0.015 0.000 0.844 234 P CB 0.037 31.741 31.700 0.006 0.000 0.787 235 L N -1.172 120.061 121.223 0.016 0.000 2.191 235 L HA -0.121 4.220 4.340 0.002 0.000 0.212 235 L C 2.242 179.142 176.870 0.050 0.000 1.103 235 L CA 1.423 56.280 54.840 0.028 0.000 0.769 235 L CB -1.067 41.007 42.059 0.024 0.000 0.908 235 L HN -0.032 nan 8.230 nan 0.000 0.438 236 A N -0.360 122.505 122.820 0.075 0.000 2.169 236 A HA -0.065 4.256 4.320 0.002 0.000 0.212 236 A C 1.225 178.919 177.584 0.184 0.000 1.153 236 A CA -0.084 52.052 52.037 0.165 0.000 0.756 236 A CB -0.217 18.918 19.000 0.225 0.000 0.813 236 A HN 0.225 nan 8.150 nan 0.000 0.471 237 K N 1.339 121.800 120.400 0.102 0.000 2.473 237 K HA -0.113 4.208 4.320 0.002 0.000 0.277 237 K C -0.226 176.370 176.600 -0.006 0.000 1.052 237 K CA 0.798 57.117 56.287 0.054 0.000 1.114 237 K CB -0.168 32.307 32.500 -0.041 0.000 0.869 237 K HN 0.498 nan 8.250 nan 0.000 0.481 238 N N 2.213 120.905 118.700 -0.014 0.000 2.948 238 N HA -0.204 4.537 4.740 0.002 0.000 0.239 238 N C 0.258 175.696 175.510 -0.120 0.000 0.954 238 N CA 1.077 54.095 53.050 -0.054 0.000 0.941 238 N CB -0.951 37.519 38.487 -0.029 0.000 1.101 238 N HN 0.580 nan 8.380 nan 0.000 0.579 239 L N -0.525 120.630 121.223 -0.113 0.000 2.616 239 L HA 0.254 4.595 4.340 0.002 0.000 0.229 239 L C 0.373 177.229 176.870 -0.025 0.000 1.110 239 L CA 0.280 55.120 54.840 -0.001 0.000 0.884 239 L CB -0.034 42.104 42.059 0.131 0.000 1.115 239 L HN 0.153 nan 8.230 nan 0.000 0.481 240 F N -4.034 115.672 119.950 -0.408 0.000 2.662 240 F HA 0.492 5.020 4.527 0.001 0.000 0.312 240 F C 0.375 175.720 175.800 -0.759 0.000 1.113 240 F CA -1.015 56.688 58.000 -0.496 0.000 0.951 240 F CB 0.829 39.697 39.000 -0.220 0.000 1.344 240 F HN -0.121 nan 8.300 nan 0.000 0.462 241 H N -0.141 118.909 119.070 -0.034 0.000 3.233 241 H HA 0.425 4.981 4.556 0.001 0.000 0.263 241 H C -0.604 174.665 175.328 -0.099 0.000 1.168 241 H CA -0.186 55.763 56.048 -0.164 0.000 1.159 241 H CB 0.780 30.472 29.762 -0.115 0.000 1.593 241 H HN 0.525 nan 8.280 nan 0.000 0.580 242 R N 0.538 121.119 120.500 0.135 0.000 2.561 242 R HA 0.677 5.018 4.340 0.002 0.000 0.266 242 R C -1.389 175.060 176.300 0.248 0.000 1.091 242 R CA -0.641 55.508 56.100 0.082 0.000 0.927 242 R CB 2.379 32.570 30.300 -0.182 0.000 1.240 242 R HN 0.084 nan 8.270 nan 0.000 0.449 243 A N 3.184 126.177 122.820 0.288 0.000 2.401 243 A HA 0.862 5.183 4.320 0.002 0.000 0.310 243 A C -0.831 176.942 177.584 0.315 0.000 1.075 243 A CA -0.762 51.357 52.037 0.137 0.000 0.746 243 A CB 1.254 20.093 19.000 -0.268 0.000 1.277 243 A HN 0.647 nan 8.150 nan 0.000 0.425 244 I N 1.327 122.032 120.570 0.225 0.000 2.500 244 I HA 0.265 4.436 4.170 0.002 0.000 0.286 244 I C -0.391 175.875 176.117 0.248 0.000 1.063 244 I CA -0.145 61.264 61.300 0.181 0.000 1.062 244 I CB 2.339 40.344 38.000 0.009 0.000 1.223 244 I HN 0.487 nan 8.210 nan 0.000 0.435 245 S N 5.285 121.130 115.700 0.241 0.000 2.448 245 S HA 0.346 4.817 4.470 0.002 0.000 0.320 245 S C -0.438 174.261 174.600 0.165 0.000 1.071 245 S CA -0.629 57.676 58.200 0.175 0.000 1.113 245 S CB 0.820 64.118 63.200 0.164 0.000 0.972 245 S HN 0.467 nan 8.310 nan 0.000 0.465 246 E N 1.922 122.261 120.200 0.232 0.000 2.055 246 E HA 0.327 4.678 4.350 0.002 0.000 0.274 246 E C -0.440 176.277 176.600 0.195 0.000 0.949 246 E CA -0.514 56.067 56.400 0.301 0.000 0.775 246 E CB 0.879 30.836 29.700 0.427 0.000 1.097 246 E HN 0.643 nan 8.360 nan 0.000 0.404 247 S N 1.928 117.718 115.700 0.150 0.000 3.791 247 S HA -0.114 4.357 4.470 0.002 0.000 0.393 247 S C 0.058 174.911 174.600 0.421 0.000 0.936 247 S CA 0.432 58.739 58.200 0.178 0.000 1.234 247 S CB -1.218 62.007 63.200 0.040 0.000 0.891 247 S HN 0.989 nan 8.310 nan 0.000 0.519 248 G N -1.065 107.938 108.800 0.339 0.000 2.158 248 G HA2 0.501 4.462 3.960 0.002 0.000 0.238 248 G HA3 0.501 4.462 3.960 0.002 0.000 0.238 248 G C -0.776 174.178 174.900 0.090 0.000 1.723 248 G CA 0.167 45.429 45.100 0.270 0.000 0.911 248 G HN 1.591 nan 8.290 nan 0.000 0.741 249 V N -0.803 119.120 119.914 0.013 0.000 3.105 249 V HA 0.949 5.070 4.120 0.002 0.000 0.311 249 V C 1.320 177.371 176.094 -0.071 0.000 1.287 249 V CA -0.025 62.263 62.300 -0.020 0.000 1.066 249 V CB 1.223 33.030 31.823 -0.026 0.000 1.105 249 V HN 2.258 nan 8.190 nan 0.000 0.462 250 A N -0.533 122.242 122.820 -0.076 0.000 2.239 250 A HA 0.306 4.626 4.320 0.002 0.000 0.209 250 A C 1.358 178.873 177.584 -0.115 0.000 1.171 250 A CA 1.102 53.074 52.037 -0.108 0.000 0.768 250 A CB -0.835 18.095 19.000 -0.117 0.000 0.790 250 A HN 0.796 nan 8.150 nan 0.000 0.478 251 L N -0.769 120.384 121.223 -0.116 0.000 2.766 251 L HA 0.086 4.426 4.340 0.002 0.000 0.242 251 L C 0.153 176.909 176.870 -0.191 0.000 1.136 251 L CA -0.031 54.726 54.840 -0.137 0.000 0.933 251 L CB 0.232 42.227 42.059 -0.107 0.000 1.241 251 L HN 0.082 nan 8.230 nan 0.000 0.522 252 T N 0.226 114.655 114.554 -0.208 0.000 3.474 252 T HA 0.030 4.381 4.350 0.002 0.000 0.270 252 T C 1.483 176.016 174.700 -0.278 0.000 1.079 252 T CA 0.052 61.972 62.100 -0.299 0.000 1.110 252 T CB 0.520 69.199 68.868 -0.316 0.000 1.087 252 T HN 0.169 nan 8.240 nan 0.000 0.784 253 S N 2.228 117.758 115.700 -0.283 0.000 2.408 253 S HA -0.198 4.273 4.470 0.002 0.000 0.241 253 S C 2.325 176.774 174.600 -0.252 0.000 1.080 253 S CA 1.506 59.545 58.200 -0.269 0.000 1.109 253 S CB -0.558 62.455 63.200 -0.312 0.000 0.966 253 S HN 0.624 nan 8.310 nan 0.000 0.449 254 V N 1.726 121.478 119.914 -0.269 0.000 2.380 254 V HA -0.174 3.947 4.120 0.002 0.000 0.251 254 V C 1.745 177.719 176.094 -0.200 0.000 1.063 254 V CA 1.845 64.009 62.300 -0.227 0.000 1.055 254 V CB -0.427 31.266 31.823 -0.216 0.000 0.657 254 V HN 0.535 nan 8.190 nan 0.000 0.455 255 L N -0.436 120.664 121.223 -0.205 0.000 2.418 255 L HA 0.120 4.461 4.340 0.002 0.000 0.218 255 L C 0.463 177.221 176.870 -0.187 0.000 1.125 255 L CA 0.067 54.788 54.840 -0.200 0.000 0.835 255 L CB 0.063 42.015 42.059 -0.179 0.000 0.953 255 L HN 0.152 nan 8.230 nan 0.000 0.454 256 V N 0.817 120.629 119.914 -0.170 0.000 2.417 256 V HA 0.267 4.388 4.120 0.002 0.000 0.291 256 V C -0.122 175.890 176.094 -0.137 0.000 1.024 256 V CA -0.943 61.272 62.300 -0.142 0.000 0.861 256 V CB 1.573 33.316 31.823 -0.134 0.000 0.985 256 V HN 0.030 nan 8.190 nan 0.000 0.436 257 K N 5.427 125.757 120.400 -0.117 0.000 2.263 257 K HA 0.354 4.675 4.320 0.002 0.000 0.282 257 K C -0.150 176.395 176.600 -0.091 0.000 1.089 257 K CA -0.314 55.911 56.287 -0.104 0.000 0.907 257 K CB 1.185 33.629 32.500 -0.094 0.000 1.148 257 K HN 0.822 nan 8.250 nan 0.000 0.470 258 K N 0.769 121.115 120.400 -0.090 0.000 2.221 258 K HA 0.745 5.066 4.320 0.002 0.000 0.258 258 K C 0.123 176.688 176.600 -0.060 0.000 0.944 258 K CA -0.826 55.415 56.287 -0.077 0.000 0.823 258 K CB 1.606 34.055 32.500 -0.084 0.000 1.113 258 K HN 0.561 nan 8.250 nan 0.000 0.431 259 G N 1.570 110.340 108.800 -0.049 0.000 2.408 259 G HA2 -0.138 3.823 3.960 0.002 0.000 0.682 259 G HA3 -0.138 3.823 3.960 0.002 0.000 0.682 259 G C -1.721 173.156 174.900 -0.038 0.000 1.303 259 G CA -0.735 44.343 45.100 -0.036 0.000 0.966 259 G HN 0.806 nan 8.290 nan 0.000 0.560 260 D N -0.065 120.318 120.400 -0.028 0.000 2.382 260 D HA 0.318 4.959 4.640 0.002 0.000 0.259 260 D C 1.817 178.094 176.300 -0.039 0.000 1.224 260 D CA 0.624 54.605 54.000 -0.031 0.000 0.894 260 D CB 1.237 42.025 40.800 -0.020 0.000 1.127 260 D HN 1.246 nan 8.370 nan 0.000 0.487 261 V N 2.143 122.023 119.914 -0.058 0.000 3.406 261 V HA 0.052 4.173 4.120 0.002 0.000 0.263 261 V C 2.143 178.189 176.094 -0.080 0.000 1.172 261 V CA 0.531 62.786 62.300 -0.075 0.000 1.140 261 V CB -0.450 31.307 31.823 -0.110 0.000 0.784 261 V HN 0.322 nan 8.190 nan 0.000 0.467 262 K N 2.178 122.538 120.400 -0.067 0.000 2.052 262 K HA -0.134 4.187 4.320 0.002 0.000 0.215 262 K C -0.077 176.502 176.600 -0.035 0.000 1.053 262 K CA 2.721 58.975 56.287 -0.055 0.000 0.934 262 K CB -1.803 30.679 32.500 -0.030 0.000 0.717 262 K HN 0.429 nan 8.250 nan 0.000 0.450 263 P HA -0.209 nan 4.420 nan 0.000 0.216 263 P C 1.433 178.735 177.300 0.004 0.000 1.157 263 P CA 1.285 64.382 63.100 -0.004 0.000 0.880 263 P CB -0.036 31.663 31.700 -0.001 0.000 0.791 264 L N -1.422 119.800 121.223 -0.001 0.000 2.083 264 L HA -0.181 4.160 4.340 0.002 0.000 0.209 264 L C 2.148 179.040 176.870 0.038 0.000 1.083 264 L CA 1.748 56.603 54.840 0.025 0.000 0.752 264 L CB -0.881 41.191 42.059 0.021 0.000 0.899 264 L HN -0.039 nan 8.230 nan 0.000 0.433 265 A N 0.068 122.875 122.820 -0.022 0.000 1.851 265 A HA -0.285 4.036 4.320 0.002 0.000 0.216 265 A C 1.982 179.637 177.584 0.118 0.000 1.195 265 A CA 1.970 54.010 52.037 0.005 0.000 0.622 265 A CB -0.698 18.214 19.000 -0.147 0.000 0.831 265 A HN 0.533 nan 8.150 nan 0.000 0.444 266 E N -0.551 119.684 120.200 0.058 0.000 2.097 266 E HA -0.263 4.088 4.350 0.002 0.000 0.196 266 E C 2.354 178.984 176.600 0.051 0.000 1.000 266 E CA 1.506 57.938 56.400 0.053 0.000 0.804 266 E CB -0.203 29.513 29.700 0.027 0.000 0.740 266 E HN 0.689 nan 8.360 nan 0.000 0.454 267 Q N 0.225 120.053 119.800 0.047 0.000 2.020 267 Q HA -0.173 4.168 4.340 0.002 0.000 0.202 267 Q C 2.404 178.430 176.000 0.045 0.000 0.982 267 Q CA 1.169 56.993 55.803 0.034 0.000 0.838 267 Q CB -0.141 28.613 28.738 0.027 0.000 0.899 267 Q HN 0.384 nan 8.270 nan 0.000 0.423 268 I N 0.607 121.232 120.570 0.091 0.000 2.163 268 I HA -0.310 3.860 4.170 0.002 0.000 0.243 268 I C 2.487 178.639 176.117 0.058 0.000 1.085 268 I CA 1.091 62.455 61.300 0.106 0.000 1.347 268 I CB -0.538 37.597 38.000 0.225 0.000 1.044 268 I HN 0.160 nan 8.210 nan 0.000 0.408 269 A N 1.127 123.993 122.820 0.076 0.000 1.883 269 A HA -0.196 4.125 4.320 0.002 0.000 0.217 269 A C 2.301 179.887 177.584 0.004 0.000 1.186 269 A CA 1.641 53.691 52.037 0.021 0.000 0.624 269 A CB -0.865 18.165 19.000 0.050 0.000 0.822 269 A HN 0.401 nan 8.150 nan 0.000 0.444 270 I N -0.351 120.228 120.570 0.014 0.000 2.286 270 I HA -0.215 3.955 4.170 0.002 0.000 0.248 270 I C 2.503 178.616 176.117 -0.007 0.000 1.115 270 I CA 1.683 62.984 61.300 0.002 0.000 1.392 270 I CB -0.602 37.400 38.000 0.004 0.000 1.065 270 I HN 0.283 nan 8.210 nan 0.000 0.418 271 T N 0.827 115.376 114.554 -0.008 0.000 2.746 271 T HA -0.137 4.214 4.350 0.002 0.000 0.267 271 T C 1.860 176.548 174.700 -0.021 0.000 1.039 271 T CA 1.441 63.530 62.100 -0.018 0.000 1.142 271 T CB -0.275 68.577 68.868 -0.026 0.000 0.866 271 T HN 0.475 nan 8.240 nan 0.000 0.444 272 A N 0.508 123.313 122.820 -0.025 0.000 2.235 272 A HA 0.493 4.814 4.320 0.002 0.000 0.208 272 A C 1.601 179.167 177.584 -0.029 0.000 1.172 272 A CA 0.642 52.658 52.037 -0.034 0.000 0.786 272 A CB -0.788 18.177 19.000 -0.059 0.000 0.804 272 A HN 0.859 nan 8.150 nan 0.000 0.479 273 G N -1.586 107.201 108.800 -0.022 0.000 2.370 273 G HA2 -0.151 3.810 3.960 0.002 0.000 0.268 273 G HA3 -0.151 3.810 3.960 0.002 0.000 0.268 273 G C -0.215 174.674 174.900 -0.019 0.000 1.122 273 G CA -0.106 44.984 45.100 -0.018 0.000 0.963 273 G HN 0.646 nan 8.290 nan 0.000 0.500 274 c N -0.322 118.268 118.600 -0.017 0.000 2.889 274 c HA 0.730 5.301 4.570 0.002 0.000 0.307 274 c C 0.744 174.832 174.090 -0.003 0.000 1.251 274 c CA -1.108 55.212 56.329 -0.015 0.000 1.593 274 c CB 1.873 44.367 42.510 -0.028 0.000 2.104 274 c HN 0.674 nan 8.230 nan 0.000 0.476 275 K N 0.557 120.959 120.400 0.003 0.000 2.168 275 K HA 0.381 4.702 4.320 0.002 0.000 0.258 275 K C 0.828 177.434 176.600 0.009 0.000 1.010 275 K CA 0.226 56.517 56.287 0.006 0.000 0.929 275 K CB 0.467 32.972 32.500 0.009 0.000 0.998 275 K HN 0.867 nan 8.250 nan 0.000 0.479 276 T N -3.020 111.539 114.554 0.008 0.000 3.231 276 T HA 0.057 4.408 4.350 0.002 0.000 0.292 276 T C 0.997 175.700 174.700 0.004 0.000 1.001 276 T CA -0.352 61.755 62.100 0.012 0.000 0.920 276 T CB -0.036 68.841 68.868 0.015 0.000 1.140 276 T HN 0.480 nan 8.240 nan 0.000 0.525 277 T N 2.820 117.374 114.554 -0.001 0.000 2.624 277 T HA -0.115 4.236 4.350 0.002 0.000 0.266 277 T C 1.231 175.922 174.700 -0.015 0.000 1.050 277 T CA 2.234 64.329 62.100 -0.008 0.000 1.163 277 T CB -0.693 68.168 68.868 -0.012 0.000 0.861 277 T HN 0.888 nan 8.240 nan 0.000 0.443 278 T N -2.626 111.912 114.554 -0.026 0.000 2.754 278 T HA 0.543 4.894 4.350 0.002 0.000 0.296 278 T C 1.010 175.680 174.700 -0.049 0.000 1.205 278 T CA -0.263 61.811 62.100 -0.043 0.000 1.009 278 T CB 1.660 70.481 68.868 -0.077 0.000 1.368 278 T HN -0.123 nan 8.240 nan 0.000 0.509 279 S N 0.308 115.967 115.700 -0.069 0.000 2.345 279 S HA 0.020 4.491 4.470 0.002 0.000 0.220 279 S C 2.546 177.083 174.600 -0.105 0.000 1.031 279 S CA 1.335 59.511 58.200 -0.038 0.000 0.996 279 S CB -1.125 62.096 63.200 0.036 0.000 0.882 279 S HN 0.951 nan 8.310 nan 0.000 0.445 280 A N 1.326 123.906 122.820 -0.399 0.000 1.903 280 A HA -0.143 4.178 4.320 0.002 0.000 0.219 280 A C 2.355 179.886 177.584 -0.087 0.000 1.191 280 A CA 1.952 53.764 52.037 -0.375 0.000 0.638 280 A CB -1.203 17.450 19.000 -0.578 0.000 0.823 280 A HN 0.336 nan 8.150 nan 0.000 0.451 281 V N -0.071 119.797 119.914 -0.077 0.000 2.287 281 V HA -0.371 3.750 4.120 0.002 0.000 0.248 281 V C 2.684 178.807 176.094 0.049 0.000 1.053 281 V CA 2.424 64.725 62.300 0.003 0.000 1.027 281 V CB -0.689 31.125 31.823 -0.015 0.000 0.646 281 V HN 0.607 nan 8.190 nan 0.000 0.447 282 M N -0.551 119.068 119.600 0.030 0.000 2.065 282 M HA -0.187 4.293 4.480 0.002 0.000 0.259 282 M C 2.207 178.500 176.300 -0.013 0.000 1.069 282 M CA 2.012 57.332 55.300 0.033 0.000 1.110 282 M CB -0.716 31.943 32.600 0.098 0.000 1.328 282 M HN 0.304 nan 8.290 nan 0.000 0.405 283 V N -0.485 119.450 119.914 0.035 0.000 2.287 283 V HA -0.315 3.806 4.120 0.002 0.000 0.248 283 V C 2.263 178.374 176.094 0.029 0.000 1.053 283 V CA 2.559 64.852 62.300 -0.013 0.000 1.027 283 V CB -1.399 30.500 31.823 0.126 0.000 0.646 283 V HN 0.495 nan 8.190 nan 0.000 0.447 284 H N -0.413 118.655 119.070 -0.004 0.000 2.321 284 H HA -0.219 4.337 4.556 0.001 0.000 0.300 284 H C 2.366 177.687 175.328 -0.011 0.000 1.087 284 H CA 2.318 58.367 56.048 0.002 0.000 1.319 284 H CB -0.647 29.112 29.762 -0.006 0.000 1.379 284 H HN 0.458 nan 8.280 nan 0.000 0.501 285 c N -0.082 118.481 118.600 -0.062 0.000 2.425 285 c HA -0.037 4.534 4.570 0.002 0.000 0.277 285 c C 2.744 176.751 174.090 -0.137 0.000 1.280 285 c CA 0.818 57.080 56.329 -0.111 0.000 1.744 285 c CB -1.477 41.018 42.510 -0.024 0.000 1.989 285 c HN 0.653 nan 8.230 nan 0.000 0.491 286 L N 0.138 121.281 121.223 -0.133 0.000 2.156 286 L HA -0.037 4.303 4.340 0.002 0.000 0.208 286 L C 3.000 179.845 176.870 -0.041 0.000 1.095 286 L CA 1.110 55.876 54.840 -0.124 0.000 0.770 286 L CB -0.675 41.217 42.059 -0.279 0.000 0.914 286 L HN 0.314 nan 8.230 nan 0.000 0.439 287 R N -0.166 120.315 120.500 -0.030 0.000 2.120 287 R HA -0.156 4.185 4.340 0.002 0.000 0.234 287 R C 2.153 178.375 176.300 -0.129 0.000 1.123 287 R CA 0.954 57.014 56.100 -0.066 0.000 0.975 287 R CB -0.186 30.073 30.300 -0.069 0.000 0.866 287 R HN 0.463 nan 8.270 nan 0.000 0.446 288 Q N 0.752 120.446 119.800 -0.177 0.000 2.230 288 Q HA 0.015 4.356 4.340 0.002 0.000 0.202 288 Q C 0.431 176.376 176.000 -0.091 0.000 0.963 288 Q CA 0.746 56.459 55.803 -0.150 0.000 0.866 288 Q CB 0.006 28.635 28.738 -0.182 0.000 0.931 288 Q HN 0.061 nan 8.270 nan 0.000 0.452 289 K N 2.238 122.588 120.400 -0.084 0.000 2.414 289 K HA 0.041 4.362 4.320 0.002 0.000 0.272 289 K C 0.608 177.193 176.600 -0.026 0.000 0.993 289 K CA 0.187 56.442 56.287 -0.054 0.000 0.964 289 K CB 0.259 32.720 32.500 -0.065 0.000 0.925 289 K HN 0.249 nan 8.250 nan 0.000 0.487 290 T N -2.260 112.293 114.554 -0.000 0.000 2.849 290 T HA 0.074 4.425 4.350 0.002 0.000 0.284 290 T C 1.332 176.085 174.700 0.089 0.000 1.004 290 T CA -0.586 61.531 62.100 0.029 0.000 1.021 290 T CB 1.234 70.115 68.868 0.021 0.000 1.013 290 T HN 0.617 nan 8.240 nan 0.000 0.527 291 E N 0.518 120.797 120.200 0.131 0.000 2.070 291 E HA -0.265 4.086 4.350 0.002 0.000 0.197 291 E C 1.754 178.501 176.600 0.245 0.000 1.004 291 E CA 1.798 58.353 56.400 0.259 0.000 0.805 291 E CB -0.142 29.627 29.700 0.115 0.000 0.744 291 E HN 0.806 nan 8.360 nan 0.000 0.451 292 E N 0.715 120.989 120.200 0.123 0.000 2.085 292 E HA -0.200 4.151 4.350 0.002 0.000 0.194 292 E C 1.951 178.612 176.600 0.101 0.000 0.994 292 E CA 1.512 57.970 56.400 0.097 0.000 0.801 292 E CB -0.094 29.636 29.700 0.049 0.000 0.743 292 E HN 0.380 nan 8.360 nan 0.000 0.453 293 E N -0.020 120.227 120.200 0.077 0.000 2.077 293 E HA -0.162 4.189 4.350 0.002 0.000 0.193 293 E C 2.026 178.652 176.600 0.043 0.000 0.989 293 E CA 0.902 57.329 56.400 0.044 0.000 0.800 293 E CB -0.097 29.612 29.700 0.015 0.000 0.746 293 E HN 0.254 nan 8.360 nan 0.000 0.452 294 L N 0.363 121.625 121.223 0.065 0.000 2.179 294 L HA -0.112 4.229 4.340 0.002 0.000 0.208 294 L C 2.447 179.384 176.870 0.112 0.000 1.096 294 L CA 0.134 54.948 54.840 -0.042 0.000 0.779 294 L CB -0.200 41.662 42.059 -0.329 0.000 0.922 294 L HN 0.189 nan 8.230 nan 0.000 0.443 295 L N 0.047 121.483 121.223 0.354 0.000 2.141 295 L HA -0.170 4.171 4.340 0.002 0.000 0.209 295 L C 2.273 179.258 176.870 0.191 0.000 1.094 295 L CA 1.708 56.776 54.840 0.381 0.000 0.763 295 L CB -0.496 41.734 42.059 0.286 0.000 0.908 295 L HN 0.215 nan 8.230 nan 0.000 0.437 296 E N -1.221 119.052 120.200 0.123 0.000 2.072 296 E HA -0.179 4.172 4.350 0.002 0.000 0.191 296 E C 1.839 178.469 176.600 0.051 0.000 0.985 296 E CA 1.595 58.036 56.400 0.070 0.000 0.801 296 E CB 0.015 29.742 29.700 0.046 0.000 0.750 296 E HN 0.565 nan 8.360 nan 0.000 0.452 297 T N 0.067 114.646 114.554 0.041 0.000 2.788 297 T HA -0.132 4.219 4.350 0.002 0.000 0.268 297 T C 1.870 176.591 174.700 0.036 0.000 1.044 297 T CA 1.613 63.721 62.100 0.014 0.000 1.139 297 T CB -0.463 68.399 68.868 -0.010 0.000 0.867 297 T HN 0.201 nan 8.240 nan 0.000 0.454 298 T N 2.716 117.338 114.554 0.113 0.000 2.720 298 T HA -0.009 4.342 4.350 0.002 0.000 0.268 298 T C 1.965 176.751 174.700 0.145 0.000 1.037 298 T CA 0.961 63.199 62.100 0.230 0.000 1.144 298 T CB -0.478 68.585 68.868 0.324 0.000 0.864 298 T HN 0.284 nan 8.240 nan 0.000 0.444 299 L N 0.400 121.679 121.223 0.094 0.000 2.005 299 L HA -0.076 4.265 4.340 0.002 0.000 0.207 299 L C 2.730 179.582 176.870 -0.030 0.000 1.072 299 L CA 1.451 56.318 54.840 0.045 0.000 0.744 299 L CB -0.572 41.514 42.059 0.044 0.000 0.895 299 L HN 0.187 nan 8.230 nan 0.000 0.433 300 K N -0.278 120.099 120.400 -0.039 0.000 2.059 300 K HA -0.214 4.107 4.320 0.002 0.000 0.212 300 K C 2.050 178.556 176.600 -0.157 0.000 1.050 300 K CA 1.449 57.692 56.287 -0.074 0.000 0.927 300 K CB -0.212 32.255 32.500 -0.055 0.000 0.714 300 K HN 0.206 nan 8.250 nan 0.000 0.447 301 M N 0.998 120.442 119.600 -0.260 0.000 2.435 301 M HA -0.115 4.366 4.480 0.002 0.000 0.262 301 M C 0.055 175.988 176.300 -0.611 0.000 1.065 301 M CA 1.202 56.179 55.300 -0.539 0.000 1.076 301 M CB -0.861 31.139 32.600 -1.000 0.000 1.403 301 M HN 0.121 nan 8.290 nan 0.000 0.454 302 K N 0.512 120.695 120.400 -0.360 0.000 3.451 302 K HA -0.193 4.128 4.320 0.002 0.000 0.273 302 K C -0.499 176.002 176.600 -0.166 0.000 0.944 302 K CA 0.177 56.347 56.287 -0.194 0.000 0.734 302 K CB -1.909 30.516 32.500 -0.126 0.000 1.437 302 K HN 0.192 nan 8.250 nan 0.000 0.454 303 F N 0.201 120.166 119.950 0.024 0.000 2.368 303 F HA 0.268 4.796 4.527 0.001 0.000 0.308 303 F C 2.189 178.001 175.800 0.020 0.000 1.198 303 F CA -0.364 57.650 58.000 0.022 0.000 1.130 303 F CB 0.439 39.459 39.000 0.034 0.000 1.300 303 F HN 0.119 nan 8.300 nan 0.000 0.537 304 L N -1.182 120.185 121.223 0.239 0.000 4.988 304 L HA -0.296 4.044 4.340 0.002 0.000 0.439 304 L C -0.127 176.800 176.870 0.095 0.000 1.080 304 L CA 0.334 55.252 54.840 0.129 0.000 1.018 304 L CB -2.092 40.033 42.059 0.109 0.000 1.945 304 L HN 0.442 nan 8.230 nan 0.000 0.782 305 S N 0.363 116.117 115.700 0.090 0.000 2.478 305 S HA 0.595 5.066 4.470 0.002 0.000 0.312 305 S C -0.243 174.391 174.600 0.058 0.000 1.094 305 S CA -0.588 57.650 58.200 0.062 0.000 1.081 305 S CB 2.234 65.454 63.200 0.034 0.000 1.007 305 S HN 0.226 nan 8.310 nan 0.000 0.475 306 L N 4.174 125.438 121.223 0.070 0.000 2.500 306 L HA 0.223 4.564 4.340 0.002 0.000 0.272 306 L C -0.094 176.769 176.870 -0.012 0.000 1.149 306 L CA 0.121 54.985 54.840 0.040 0.000 0.897 306 L CB 0.089 42.168 42.059 0.033 0.000 1.178 306 L HN 0.512 nan 8.230 nan 0.000 0.473 307 D N 4.418 124.806 120.400 -0.020 0.000 2.325 307 D HA 0.105 4.745 4.640 0.002 0.000 0.251 307 D C 0.651 176.920 176.300 -0.052 0.000 1.196 307 D CA 0.163 54.143 54.000 -0.034 0.000 0.866 307 D CB 0.706 41.486 40.800 -0.034 0.000 1.101 307 D HN 0.623 nan 8.370 nan 0.000 0.476 308 L N 2.640 123.833 121.223 -0.049 0.000 2.585 308 L HA 0.114 4.455 4.340 0.002 0.000 0.226 308 L C 0.490 177.344 176.870 -0.027 0.000 1.113 308 L CA 0.101 54.910 54.840 -0.051 0.000 0.876 308 L CB -0.155 41.871 42.059 -0.055 0.000 1.072 308 L HN 0.471 nan 8.230 nan 0.000 0.468 309 Q N 0.366 120.152 119.800 -0.022 0.000 2.303 309 Q HA 0.686 5.027 4.340 0.002 0.000 0.267 309 Q C -0.370 175.625 176.000 -0.009 0.000 1.011 309 Q CA -0.555 55.243 55.803 -0.008 0.000 0.740 309 Q CB 2.325 31.059 28.738 -0.006 0.000 1.250 309 Q HN 0.055 nan 8.270 nan 0.000 0.458 310 G N 1.559 110.359 108.800 0.001 0.000 2.361 310 G HA2 -0.081 3.880 3.960 0.002 0.000 0.331 310 G HA3 -0.081 3.880 3.960 0.002 0.000 0.331 310 G C -1.874 173.026 174.900 -0.001 0.000 1.324 310 G CA -1.000 44.100 45.100 -0.000 0.000 0.984 310 G HN 0.577 nan 8.290 nan 0.000 0.586 311 D N 0.571 120.972 120.400 0.002 0.000 2.358 311 D HA 0.336 4.977 4.640 0.002 0.000 0.258 311 D C -1.112 175.126 176.300 -0.103 0.000 1.223 311 D CA -1.383 52.616 54.000 -0.002 0.000 0.886 311 D CB 1.670 42.483 40.800 0.022 0.000 1.120 311 D HN -0.020 nan 8.370 nan 0.000 0.482 312 P HA -0.033 nan 4.420 nan 0.000 0.228 312 P C 0.761 177.935 177.300 -0.210 0.000 1.151 312 P CA 0.787 63.654 63.100 -0.389 0.000 0.770 312 P CB 0.256 31.394 31.700 -0.937 0.000 0.786 313 R N -0.669 119.698 120.500 -0.221 0.000 2.297 313 R HA 0.075 4.416 4.340 0.002 0.000 0.197 313 R C 1.490 177.818 176.300 0.047 0.000 0.943 313 R CA 0.626 56.698 56.100 -0.047 0.000 1.038 313 R CB -0.029 30.161 30.300 -0.184 0.000 0.957 313 R HN 0.370 nan 8.270 nan 0.000 0.484 314 E N -0.068 120.134 120.200 0.004 0.000 2.330 314 E HA 0.051 4.402 4.350 0.002 0.000 0.200 314 E C 0.202 176.809 176.600 0.011 0.000 0.922 314 E CA -0.088 56.319 56.400 0.012 0.000 0.935 314 E CB 0.393 30.093 29.700 0.000 0.000 0.917 314 E HN -0.058 nan 8.360 nan 0.000 0.491 315 S N 1.619 117.317 115.700 -0.003 0.000 2.546 315 S HA -0.063 4.408 4.470 0.002 0.000 0.290 315 S C -0.070 174.546 174.600 0.026 0.000 1.262 315 S CA -0.117 58.082 58.200 -0.001 0.000 1.083 315 S CB 0.324 63.512 63.200 -0.020 0.000 0.859 315 S HN -0.001 nan 8.310 nan 0.000 0.495 316 Q N 6.640 126.473 119.800 0.055 0.000 2.398 316 Q HA 0.379 4.720 4.340 0.002 0.000 0.251 316 Q C -1.238 174.879 176.000 0.195 0.000 0.999 316 Q CA -2.227 53.644 55.803 0.113 0.000 0.874 316 Q CB 1.426 30.265 28.738 0.169 0.000 1.215 316 Q HN 0.458 nan 8.270 nan 0.000 0.470 317 P HA -0.159 nan 4.420 nan 0.000 0.216 317 P C -0.330 177.091 177.300 0.201 0.000 1.153 317 P CA 1.241 64.415 63.100 0.123 0.000 0.858 317 P CB 0.316 32.025 31.700 0.014 0.000 0.789 318 L N -5.567 115.697 121.223 0.069 0.000 3.104 318 L HA 0.431 4.772 4.340 0.002 0.000 0.290 318 L C -1.289 175.397 176.870 -0.307 0.000 0.993 318 L CA -1.391 53.263 54.840 -0.309 0.000 1.016 318 L CB -0.159 41.710 42.059 -0.317 0.000 1.599 318 L HN -0.327 nan 8.230 nan 0.000 0.365 319 L N 0.405 121.350 121.223 -0.463 0.000 2.295 319 L HA 0.913 5.254 4.340 0.002 0.000 0.285 319 L C 0.484 177.171 176.870 -0.305 0.000 1.035 319 L CA -0.015 54.680 54.840 -0.242 0.000 0.806 319 L CB 1.079 43.059 42.059 -0.132 0.000 1.214 319 L HN 0.976 nan 8.230 nan 0.000 0.426 320 G N 1.206 109.850 108.800 -0.260 0.000 3.222 320 G HA2 0.491 4.452 3.960 0.002 0.000 0.263 320 G HA3 0.491 4.452 3.960 0.002 0.000 0.263 320 G C -0.705 174.039 174.900 -0.260 0.000 1.312 320 G CA -0.433 44.424 45.100 -0.406 0.000 0.934 320 G HN 0.389 nan 8.290 nan 0.000 0.577 321 T N 0.024 114.458 114.554 -0.200 0.000 2.855 321 T HA 0.434 4.785 4.350 0.002 0.000 0.314 321 T C 0.431 175.117 174.700 -0.023 0.000 1.077 321 T CA 0.529 62.644 62.100 0.025 0.000 1.095 321 T CB 1.048 69.972 68.868 0.093 0.000 0.987 321 T HN 1.263 nan 8.240 nan 0.000 0.546 322 V N -1.063 118.845 119.914 -0.010 0.000 3.181 322 V HA 0.584 4.705 4.120 0.002 0.000 0.308 322 V C -0.898 175.157 176.094 -0.065 0.000 1.214 322 V CA -1.281 60.982 62.300 -0.062 0.000 1.053 322 V CB 1.948 33.715 31.823 -0.093 0.000 1.069 322 V HN 0.627 nan 8.190 nan 0.000 0.441 323 I N 3.435 123.961 120.570 -0.074 0.000 2.257 323 I HA 0.250 4.421 4.170 0.002 0.000 0.290 323 I C 1.093 177.166 176.117 -0.074 0.000 1.137 323 I CA 0.065 61.323 61.300 -0.069 0.000 1.255 323 I CB -0.117 37.846 38.000 -0.061 0.000 1.485 323 I HN 0.982 nan 8.210 nan 0.000 0.534 324 D N 3.563 123.911 120.400 -0.088 0.000 2.224 324 D HA -0.096 4.545 4.640 0.002 0.000 0.205 324 D C 1.436 177.695 176.300 -0.069 0.000 0.965 324 D CA 1.358 55.297 54.000 -0.101 0.000 0.852 324 D CB 0.422 41.131 40.800 -0.153 0.000 0.947 324 D HN 0.634 nan 8.370 nan 0.000 0.494 325 G N -0.274 108.493 108.800 -0.055 0.000 2.238 325 G HA2 -0.250 3.711 3.960 0.002 0.000 0.217 325 G HA3 -0.250 3.711 3.960 0.002 0.000 0.217 325 G C 1.023 175.906 174.900 -0.029 0.000 0.996 325 G CA 0.488 45.566 45.100 -0.037 0.000 0.632 325 G HN 0.251 nan 8.290 nan 0.000 0.503 326 M N -1.009 118.571 119.600 -0.034 0.000 3.101 326 M HA 0.456 4.936 4.480 0.002 0.000 0.236 326 M C 2.259 178.544 176.300 -0.024 0.000 1.538 326 M CA 1.038 56.327 55.300 -0.019 0.000 1.309 326 M CB -1.171 31.425 32.600 -0.007 0.000 1.141 326 M HN 0.229 nan 8.290 nan 0.000 0.579 327 L N 0.736 121.936 121.223 -0.038 0.000 2.095 327 L HA 0.176 4.517 4.340 0.002 0.000 0.204 327 L C 0.378 177.209 176.870 -0.065 0.000 1.080 327 L CA 1.440 56.253 54.840 -0.044 0.000 0.759 327 L CB 0.184 42.219 42.059 -0.040 0.000 0.914 327 L HN 0.135 nan 8.230 nan 0.000 0.439 328 L N 0.248 121.431 121.223 -0.067 0.000 2.372 328 L HA 0.233 4.574 4.340 0.002 0.000 0.273 328 L C 0.459 177.295 176.870 -0.056 0.000 0.989 328 L CA -0.354 54.441 54.840 -0.074 0.000 0.841 328 L CB 1.790 43.797 42.059 -0.086 0.000 1.225 328 L HN 0.095 nan 8.230 nan 0.000 0.414 329 L N 2.884 124.080 121.223 -0.045 0.000 2.465 329 L HA -0.005 4.336 4.340 0.002 0.000 0.224 329 L C 0.655 177.506 176.870 -0.031 0.000 1.145 329 L CA 0.998 55.819 54.840 -0.032 0.000 0.834 329 L CB -0.504 41.544 42.059 -0.018 0.000 0.944 329 L HN 0.648 nan 8.230 nan 0.000 0.451 330 K N -2.099 118.278 120.400 -0.039 0.000 2.735 330 K HA 0.220 4.540 4.320 0.002 0.000 0.295 330 K C -0.440 176.131 176.600 -0.049 0.000 1.052 330 K CA -0.727 55.538 56.287 -0.037 0.000 0.853 330 K CB 0.450 32.936 32.500 -0.023 0.000 1.535 330 K HN -0.150 nan 8.250 nan 0.000 0.383 331 T N -1.117 113.408 114.554 -0.048 0.000 2.933 331 T HA 0.061 4.412 4.350 0.002 0.000 0.306 331 T C -1.757 172.908 174.700 -0.059 0.000 1.045 331 T CA -0.470 61.595 62.100 -0.059 0.000 1.143 331 T CB 0.201 69.034 68.868 -0.057 0.000 1.003 331 T HN 0.361 nan 8.240 nan 0.000 0.540 332 P HA -0.172 nan 4.420 nan 0.000 0.217 332 P C 1.415 178.687 177.300 -0.047 0.000 1.158 332 P CA 1.415 64.468 63.100 -0.078 0.000 0.887 332 P CB 0.047 31.691 31.700 -0.094 0.000 0.792 333 E N -0.025 120.148 120.200 -0.045 0.000 2.048 333 E HA -0.232 4.119 4.350 0.002 0.000 0.202 333 E C 1.958 178.558 176.600 0.000 0.000 1.021 333 E CA 1.619 58.005 56.400 -0.023 0.000 0.825 333 E CB -1.073 28.604 29.700 -0.038 0.000 0.756 333 E HN 0.443 nan 8.360 nan 0.000 0.454 334 E N 0.410 120.605 120.200 -0.007 0.000 2.058 334 E HA -0.194 4.157 4.350 0.002 0.000 0.194 334 E C 2.267 178.885 176.600 0.029 0.000 0.997 334 E CA 1.008 57.413 56.400 0.008 0.000 0.801 334 E CB -0.288 29.411 29.700 -0.002 0.000 0.746 334 E HN 0.181 nan 8.360 nan 0.000 0.450 335 L N 1.190 122.423 121.223 0.017 0.000 1.971 335 L HA -0.284 4.057 4.340 0.002 0.000 0.215 335 L C 2.867 179.812 176.870 0.124 0.000 1.072 335 L CA 1.884 56.748 54.840 0.040 0.000 0.758 335 L CB -0.759 41.278 42.059 -0.036 0.000 0.889 335 L HN 0.284 nan 8.230 nan 0.000 0.433 336 Q N -0.140 119.724 119.800 0.108 0.000 2.561 336 Q HA -0.130 4.211 4.340 0.002 0.000 0.217 336 Q C 1.906 178.019 176.000 0.189 0.000 0.980 336 Q CA 1.020 56.955 55.803 0.221 0.000 0.927 336 Q CB -0.209 28.622 28.738 0.155 0.000 0.980 336 Q HN 0.472 nan 8.270 nan 0.000 0.525 337 A N 1.520 124.414 122.820 0.123 0.000 1.855 337 A HA -0.117 4.204 4.320 0.002 0.000 0.215 337 A C 0.534 178.171 177.584 0.087 0.000 1.191 337 A CA 0.976 53.065 52.037 0.086 0.000 0.613 337 A CB -0.119 18.915 19.000 0.057 0.000 0.829 337 A HN 0.480 nan 8.150 nan 0.000 0.442 338 E N 0.052 120.314 120.200 0.104 0.000 2.105 338 E HA 0.425 4.776 4.350 0.002 0.000 0.285 338 E C 0.280 176.920 176.600 0.068 0.000 1.055 338 E CA -0.311 56.133 56.400 0.073 0.000 0.843 338 E CB 0.802 30.544 29.700 0.069 0.000 1.067 338 E HN 0.211 nan 8.360 nan 0.000 0.398 339 R N 1.499 121.958 120.500 -0.069 0.000 2.357 339 R HA -0.025 4.316 4.340 0.002 0.000 0.202 339 R C -0.347 175.653 176.300 -0.501 0.000 1.047 339 R CA 0.175 56.077 56.100 -0.330 0.000 1.034 339 R CB -0.641 29.507 30.300 -0.253 0.000 0.875 339 R HN 0.370 nan 8.270 nan 0.000 0.473 340 N N 1.426 120.008 118.700 -0.196 0.000 2.739 340 N HA 0.200 4.940 4.740 0.002 0.000 0.266 340 N C -0.941 174.588 175.510 0.032 0.000 1.168 340 N CA -0.042 52.940 53.050 -0.115 0.000 1.055 340 N CB 0.004 38.474 38.487 -0.029 0.000 1.393 340 N HN 0.116 nan 8.380 nan 0.000 0.514 341 F N -2.688 117.276 119.950 0.025 0.000 3.169 341 F HA 0.362 4.889 4.527 0.001 0.000 0.325 341 F C -0.835 175.020 175.800 0.092 0.000 1.175 341 F CA -1.409 56.617 58.000 0.043 0.000 0.887 341 F CB 0.983 40.016 39.000 0.054 0.000 1.457 341 F HN 0.068 nan 8.300 nan 0.000 0.496 342 H N 1.010 120.389 119.070 0.515 0.000 2.864 342 H HA 0.464 5.021 4.556 0.001 0.000 0.281 342 H C -0.670 174.898 175.328 0.400 0.000 1.093 342 H CA 0.008 56.211 56.048 0.258 0.000 1.453 342 H CB 0.787 30.589 29.762 0.067 0.000 1.462 342 H HN 0.777 nan 8.280 nan 0.000 0.480 343 T N 2.596 117.284 114.554 0.223 0.000 2.795 343 T HA 0.499 4.850 4.350 0.002 0.000 0.282 343 T C 0.053 174.771 174.700 0.030 0.000 0.980 343 T CA -0.750 61.433 62.100 0.138 0.000 1.012 343 T CB 1.253 70.029 68.868 -0.154 0.000 0.936 343 T HN 0.365 nan 8.240 nan 0.000 0.457 344 V N -0.711 119.313 119.914 0.183 0.000 3.159 344 V HA 0.762 4.883 4.120 0.002 0.000 0.308 344 V C -3.254 173.023 176.094 0.305 0.000 1.190 344 V CA -3.379 58.971 62.300 0.082 0.000 1.037 344 V CB 1.419 33.169 31.823 -0.121 0.000 1.060 344 V HN 0.592 nan 8.190 nan 0.000 0.437 345 P HA 0.146 nan 4.420 nan 0.000 0.261 345 P C -1.464 176.166 177.300 0.551 0.000 1.183 345 P CA 0.744 64.037 63.100 0.321 0.000 0.761 345 P CB -0.244 31.423 31.700 -0.055 0.000 0.785 346 Y N 4.133 124.677 120.300 0.407 0.000 2.329 346 Y HA 0.452 5.003 4.550 0.001 0.000 0.328 346 Y C -0.574 175.332 175.900 0.011 0.000 0.992 346 Y CA -1.463 56.709 58.100 0.120 0.000 1.151 346 Y CB 1.231 39.446 38.460 -0.410 0.000 1.150 346 Y HN 0.214 nan 8.280 nan 0.000 0.450 347 M N 7.929 127.506 119.600 -0.038 0.000 2.113 347 M HA 0.506 4.987 4.480 0.002 0.000 0.352 347 M C -2.027 174.040 176.300 -0.388 0.000 1.170 347 M CA -0.583 54.440 55.300 -0.461 0.000 1.053 347 M CB 0.627 32.582 32.600 -1.074 0.000 1.601 347 M HN 0.435 nan 8.290 nan 0.000 0.459 348 V N 5.141 124.804 119.914 -0.417 0.000 2.407 348 V HA 0.813 4.934 4.120 0.002 0.000 0.291 348 V C 0.283 176.169 176.094 -0.346 0.000 1.018 348 V CA -0.587 61.459 62.300 -0.424 0.000 0.842 348 V CB 1.186 32.633 31.823 -0.626 0.000 0.996 348 V HN 1.009 nan 8.190 nan 0.000 0.426 349 G N 4.039 112.588 108.800 -0.420 0.000 2.730 349 G HA2 0.930 4.891 3.960 0.002 0.000 0.289 349 G HA3 0.930 4.891 3.960 0.002 0.000 0.289 349 G C -1.106 173.410 174.900 -0.641 0.000 1.341 349 G CA -0.695 43.747 45.100 -1.096 0.000 0.932 349 G HN 0.897 nan 8.290 nan 0.000 0.481 350 I N -2.915 117.302 120.570 -0.588 0.000 3.354 350 I HA 0.608 4.779 4.170 0.002 0.000 0.316 350 I C -1.190 174.936 176.117 0.015 0.000 1.182 350 I CA -1.415 59.788 61.300 -0.162 0.000 0.942 350 I CB 2.347 40.300 38.000 -0.078 0.000 1.299 350 I HN 0.450 nan 8.210 nan 0.000 0.473 351 N N 0.971 119.729 118.700 0.096 0.000 2.384 351 N HA 0.265 5.005 4.740 0.002 0.000 0.301 351 N C -0.010 175.594 175.510 0.158 0.000 1.133 351 N CA -0.832 52.351 53.050 0.222 0.000 0.853 351 N CB 2.217 40.849 38.487 0.241 0.000 1.241 351 N HN 0.528 nan 8.380 nan 0.000 0.502 352 K N 0.813 121.321 120.400 0.180 0.000 2.059 352 K HA -0.186 4.134 4.320 0.002 0.000 0.212 352 K C -0.020 176.655 176.600 0.125 0.000 1.050 352 K CA 1.919 58.285 56.287 0.132 0.000 0.927 352 K CB 0.098 32.665 32.500 0.112 0.000 0.714 352 K HN 0.554 nan 8.250 nan 0.000 0.447 353 Q N 0.050 119.931 119.800 0.136 0.000 3.064 353 Q HA 0.119 4.460 4.340 0.002 0.000 0.258 353 Q C -0.182 175.901 176.000 0.140 0.000 0.972 353 Q CA -0.390 55.496 55.803 0.139 0.000 0.761 353 Q CB 1.531 30.351 28.738 0.136 0.000 1.281 353 Q HN 0.114 nan 8.270 nan 0.000 0.455 354 E N 0.491 120.750 120.200 0.097 0.000 2.070 354 E HA -0.181 4.170 4.350 0.002 0.000 0.197 354 E C 0.640 177.305 176.600 0.107 0.000 1.004 354 E CA 1.368 57.773 56.400 0.008 0.000 0.805 354 E CB 0.087 29.596 29.700 -0.317 0.000 0.744 354 E HN 0.494 nan 8.360 nan 0.000 0.451 355 F N 0.642 120.590 119.950 -0.004 0.000 2.664 355 F HA 0.189 4.717 4.527 0.002 0.000 0.301 355 F C 1.815 177.626 175.800 0.020 0.000 1.126 355 F CA -0.074 57.912 58.000 -0.022 0.000 1.373 355 F CB 0.324 39.286 39.000 -0.062 0.000 1.042 355 F HN -0.020 nan 8.300 nan 0.000 0.535 356 G N -0.117 108.747 108.800 0.107 0.000 2.432 356 G HA2 -0.277 3.684 3.960 0.002 0.000 0.219 356 G HA3 -0.277 3.684 3.960 0.002 0.000 0.219 356 G C 1.012 176.022 174.900 0.184 0.000 1.135 356 G CA 1.358 46.542 45.100 0.141 0.000 0.767 356 G HN 0.633 nan 8.290 nan 0.000 0.550 357 W N -1.861 119.376 121.300 -0.105 0.000 5.565 357 W HA 0.229 4.890 4.660 0.002 0.000 0.159 357 W C 1.637 178.080 176.519 -0.127 0.000 2.343 357 W CA 0.129 57.414 57.345 -0.100 0.000 1.917 357 W CB -0.670 28.779 29.460 -0.018 0.000 0.660 357 W HN -0.031 nan 8.180 nan 0.000 1.118 358 L N 2.184 123.384 121.223 -0.038 0.000 2.010 358 L HA -0.213 4.128 4.340 0.002 0.000 0.219 358 L C 2.096 178.723 176.870 -0.405 0.000 1.077 358 L CA 2.809 57.478 54.840 -0.284 0.000 0.773 358 L CB -1.227 40.962 42.059 0.216 0.000 0.892 358 L HN 0.253 nan 8.230 nan 0.000 0.436 359 I N -0.877 119.480 120.570 -0.355 0.000 2.133 359 I HA -0.212 3.959 4.170 0.002 0.000 0.238 359 I C -0.217 175.535 176.117 -0.608 0.000 1.074 359 I CA 1.320 62.363 61.300 -0.428 0.000 1.342 359 I CB -1.764 35.978 38.000 -0.430 0.000 1.053 359 I HN 0.217 nan 8.210 nan 0.000 0.404 360 P HA -0.180 nan 4.420 nan 0.000 0.216 360 P C 1.103 178.144 177.300 -0.432 0.000 1.153 360 P CA 1.230 63.798 63.100 -0.886 0.000 0.858 360 P CB -0.041 31.088 31.700 -0.951 0.000 0.789 364 M N 0.605 120.181 119.600 -0.040 0.000 2.686 364 M HA 0.109 4.590 4.480 0.002 0.000 0.246 364 M C 0.026 176.402 176.300 0.127 0.000 1.096 364 M CA 0.432 55.778 55.300 0.077 0.000 1.076 364 M CB -0.225 32.483 32.600 0.180 0.000 1.504 364 M HN 0.270 nan 8.290 nan 0.000 0.524 365 S N 0.429 116.178 115.700 0.081 0.000 3.432 365 S HA -0.157 4.314 4.470 0.002 0.000 0.521 365 S C -0.910 173.807 174.600 0.194 0.000 0.696 365 S CA 0.177 58.433 58.200 0.094 0.000 1.382 365 S CB -1.157 62.071 63.200 0.048 0.000 0.981 365 S HN 0.414 nan 8.310 nan 0.000 0.813 366 Y N 2.821 123.124 120.300 0.006 0.000 2.420 366 Y HA 0.462 5.013 4.550 0.001 0.000 0.334 366 Y C -1.588 174.347 175.900 0.058 0.000 1.094 366 Y CA -2.040 56.095 58.100 0.058 0.000 1.126 366 Y CB 1.035 39.552 38.460 0.094 0.000 1.217 366 Y HN 0.238 nan 8.280 nan 0.000 0.462 367 P HA 0.035 nan 4.420 nan 0.000 0.251 367 P C 0.013 177.374 177.300 0.101 0.000 1.251 367 P CA 0.977 64.108 63.100 0.051 0.000 0.763 367 P CB -0.053 31.629 31.700 -0.030 0.000 1.067 368 L N -1.320 120.015 121.223 0.186 0.000 2.779 368 L HA 0.149 4.490 4.340 0.002 0.000 0.239 368 L C 1.232 178.181 176.870 0.132 0.000 1.245 368 L CA 0.107 55.050 54.840 0.171 0.000 1.064 368 L CB -0.569 41.636 42.059 0.243 0.000 1.350 368 L HN -0.082 nan 8.230 nan 0.000 0.455 369 S N -0.155 115.607 115.700 0.103 0.000 2.515 369 S HA -0.040 4.431 4.470 0.002 0.000 0.231 369 S C 1.626 176.269 174.600 0.072 0.000 0.987 369 S CA 0.654 58.905 58.200 0.086 0.000 0.936 369 S CB 0.028 63.269 63.200 0.069 0.000 0.766 369 S HN 0.480 nan 8.310 nan 0.000 0.528 370 E N 0.524 120.764 120.200 0.067 0.000 2.318 370 E HA 0.121 4.472 4.350 0.002 0.000 0.193 370 E C 1.493 178.130 176.600 0.062 0.000 0.998 370 E CA 0.538 56.970 56.400 0.054 0.000 0.859 370 E CB -0.321 29.404 29.700 0.042 0.000 0.812 370 E HN 0.494 nan 8.360 nan 0.000 0.492 371 G N 2.442 111.291 108.800 0.081 0.000 2.179 371 G HA2 -0.303 3.658 3.960 0.002 0.000 0.257 371 G HA3 -0.303 3.658 3.960 0.002 0.000 0.257 371 G C 0.082 175.030 174.900 0.080 0.000 1.010 371 G CA 1.043 46.196 45.100 0.088 0.000 0.736 371 G HN 0.407 nan 8.290 nan 0.000 0.513 372 Q N -2.337 117.506 119.800 0.071 0.000 2.527 372 Q HA 0.843 5.184 4.340 0.002 0.000 0.280 372 Q C -1.570 174.453 176.000 0.037 0.000 0.977 372 Q CA -1.311 54.527 55.803 0.058 0.000 0.837 372 Q CB 1.652 30.417 28.738 0.044 0.000 1.454 372 Q HN 0.535 nan 8.270 nan 0.000 0.387 373 L N 0.822 122.060 121.223 0.026 0.000 2.389 373 L HA 0.689 5.030 4.340 0.002 0.000 0.249 373 L C -2.002 174.863 176.870 -0.008 0.000 1.083 373 L CA -0.073 54.756 54.840 -0.019 0.000 0.876 373 L CB 2.472 44.483 42.059 -0.079 0.000 1.489 373 L HN 0.960 nan 8.230 nan 0.000 0.412 374 D N -0.200 120.183 120.400 -0.029 0.000 2.736 374 D HA 0.165 4.806 4.640 0.002 0.000 0.223 374 D C -0.198 176.096 176.300 -0.010 0.000 1.231 374 D CA -0.485 53.512 54.000 -0.006 0.000 0.818 374 D CB 1.335 42.135 40.800 -0.001 0.000 1.587 374 D HN 0.402 nan 8.370 nan 0.000 0.463 375 Q N 1.303 121.111 119.800 0.014 0.000 2.188 375 Q HA -0.281 4.060 4.340 0.002 0.000 0.217 375 Q C 1.479 177.488 176.000 0.014 0.000 1.018 375 Q CA 2.175 57.992 55.803 0.024 0.000 0.910 375 Q CB -0.445 28.309 28.738 0.028 0.000 0.979 375 Q HN 0.617 nan 8.270 nan 0.000 0.413 376 K N -0.403 119.999 120.400 0.004 0.000 1.984 376 K HA -0.065 4.256 4.320 0.002 0.000 0.209 376 K C 2.377 178.972 176.600 -0.007 0.000 1.046 376 K CA 1.633 57.921 56.287 0.002 0.000 0.934 376 K CB -0.359 32.141 32.500 0.000 0.000 0.717 376 K HN 0.140 nan 8.250 nan 0.000 0.438 377 T N 1.364 115.901 114.554 -0.028 0.000 2.665 377 T HA -0.215 4.136 4.350 0.002 0.000 0.268 377 T C 1.952 176.587 174.700 -0.109 0.000 1.035 377 T CA 1.507 63.573 62.100 -0.057 0.000 1.151 377 T CB -0.417 68.408 68.868 -0.071 0.000 0.862 377 T HN 0.377 nan 8.240 nan 0.000 0.438 378 A N 1.773 124.504 122.820 -0.149 0.000 1.842 378 A HA -0.162 4.159 4.320 0.002 0.000 0.217 378 A C 2.338 179.912 177.584 -0.016 0.000 1.206 378 A CA 2.070 53.961 52.037 -0.244 0.000 0.630 378 A CB -0.987 17.950 19.000 -0.105 0.000 0.839 378 A HN 0.466 nan 8.150 nan 0.000 0.447 379 M N -0.463 119.178 119.600 0.068 0.000 2.252 379 M HA -0.203 4.278 4.480 0.002 0.000 0.257 379 M C 2.463 178.864 176.300 0.168 0.000 1.077 379 M CA 1.817 57.196 55.300 0.132 0.000 1.066 379 M CB -0.348 32.302 32.600 0.083 0.000 1.380 379 M HN 0.607 nan 8.290 nan 0.000 0.412 380 S N 0.453 116.222 115.700 0.114 0.000 2.348 380 S HA -0.036 4.435 4.470 0.002 0.000 0.219 380 S C 1.728 176.445 174.600 0.195 0.000 1.033 380 S CA 0.706 59.000 58.200 0.157 0.000 0.974 380 S CB -0.114 63.134 63.200 0.080 0.000 0.868 380 S HN 0.399 nan 8.310 nan 0.000 0.459 381 L N 0.966 122.250 121.223 0.103 0.000 1.971 381 L HA -0.149 4.192 4.340 0.002 0.000 0.215 381 L C 2.537 179.594 176.870 0.311 0.000 1.072 381 L CA 1.539 56.463 54.840 0.140 0.000 0.758 381 L CB -0.690 41.397 42.059 0.047 0.000 0.889 381 L HN 0.370 nan 8.230 nan 0.000 0.433 382 L N -0.359 121.132 121.223 0.446 0.000 2.103 382 L HA -0.325 4.016 4.340 0.002 0.000 0.215 382 L C 2.196 179.288 176.870 0.371 0.000 1.080 382 L CA 2.015 57.119 54.840 0.441 0.000 0.764 382 L CB -0.748 41.579 42.059 0.448 0.000 0.890 382 L HN 0.416 nan 8.230 nan 0.000 0.435 383 W N 0.396 121.797 121.300 0.169 0.000 2.379 383 W HA -0.210 4.450 4.660 0.001 0.000 0.307 383 W C 2.038 178.641 176.519 0.140 0.000 1.200 383 W CA 1.259 58.686 57.345 0.138 0.000 1.297 383 W CB -0.003 29.503 29.460 0.076 0.000 1.140 383 W HN 0.106 nan 8.180 nan 0.000 0.507 384 K N 0.389 120.762 120.400 -0.045 0.000 2.555 384 K HA -0.038 4.283 4.320 0.002 0.000 0.193 384 K C 1.437 177.975 176.600 -0.103 0.000 1.032 384 K CA 0.824 57.002 56.287 -0.181 0.000 1.004 384 K CB -0.016 32.446 32.500 -0.064 0.000 0.804 384 K HN -0.093 nan 8.250 nan 0.000 0.496 385 S N 0.069 115.769 115.700 -0.000 0.000 2.572 385 S HA 0.026 4.497 4.470 0.002 0.000 0.228 385 S C 0.801 175.389 174.600 -0.020 0.000 0.963 385 S CA -0.495 57.729 58.200 0.039 0.000 0.939 385 S CB -0.119 63.163 63.200 0.136 0.000 0.804 385 S HN 0.325 nan 8.310 nan 0.000 0.480 386 Y N 4.403 124.568 120.300 -0.224 0.000 2.096 386 Y HA -0.186 4.364 4.550 0.001 0.000 0.278 386 Y C -0.773 175.028 175.900 -0.165 0.000 1.192 386 Y CA 1.979 59.935 58.100 -0.240 0.000 1.143 386 Y CB -1.269 36.877 38.460 -0.525 0.000 0.963 386 Y HN 0.262 nan 8.280 nan 0.000 0.505 387 P HA -0.210 nan 4.420 nan 0.000 0.218 387 P C 1.726 178.872 177.300 -0.256 0.000 1.148 387 P CA 1.853 64.811 63.100 -0.235 0.000 0.822 387 P CB -0.123 31.526 31.700 -0.086 0.000 0.784 388 L N -0.527 120.578 121.223 -0.197 0.000 2.095 388 L HA -0.068 4.273 4.340 0.002 0.000 0.204 388 L C 2.679 179.376 176.870 -0.288 0.000 1.080 388 L CA 1.286 56.003 54.840 -0.206 0.000 0.759 388 L CB -0.491 41.486 42.059 -0.136 0.000 0.914 388 L HN -0.095 nan 8.230 nan 0.000 0.439 389 V N -6.518 113.229 119.914 -0.278 0.000 3.212 389 V HA 0.124 4.245 4.120 0.002 0.000 0.244 389 V C 1.108 177.054 176.094 -0.246 0.000 1.151 389 V CA -0.260 61.883 62.300 -0.262 0.000 1.119 389 V CB 0.111 31.816 31.823 -0.197 0.000 0.838 389 V HN 0.428 nan 8.190 nan 0.000 0.470 390 C N 1.281 120.338 119.300 -0.404 0.000 4.533 390 C HA -0.133 4.327 4.460 0.002 0.000 0.304 390 C C 0.360 175.395 174.990 0.075 0.000 1.316 390 C CA 0.027 58.688 59.018 -0.596 0.000 2.053 390 C CB -2.956 24.466 27.740 -0.530 0.000 1.242 390 C HN 0.661 nan 8.230 nan 0.000 0.758 391 I N 1.312 122.107 120.570 0.375 0.000 2.321 391 I HA 0.496 4.667 4.170 0.002 0.000 0.291 391 I C 0.973 177.480 176.117 0.649 0.000 0.998 391 I CA 0.026 61.659 61.300 0.554 0.000 1.227 391 I CB 1.202 39.470 38.000 0.448 0.000 1.368 391 I HN 0.508 nan 8.210 nan 0.000 0.466 392 A N 5.411 128.541 122.820 0.516 0.000 2.531 392 A HA 0.004 4.325 4.320 0.002 0.000 0.236 392 A C 1.362 179.090 177.584 0.240 0.000 1.062 392 A CA -0.131 52.133 52.037 0.378 0.000 0.760 392 A CB 0.260 19.401 19.000 0.235 0.000 0.995 392 A HN 0.810 nan 8.150 nan 0.000 0.501 393 K N 1.089 121.474 120.400 -0.026 0.000 2.362 393 K HA -0.186 4.135 4.320 0.002 0.000 0.202 393 K C 1.628 178.097 176.600 -0.218 0.000 1.045 393 K CA 2.342 58.352 56.287 -0.461 0.000 0.936 393 K CB -0.006 31.756 32.500 -1.230 0.000 0.747 393 K HN 0.857 nan 8.250 nan 0.000 0.467 394 E N -0.047 120.096 120.200 -0.094 0.000 2.086 394 E HA -0.124 4.226 4.350 0.002 0.000 0.190 394 E C 1.827 178.426 176.600 -0.002 0.000 0.975 394 E CA 0.868 57.236 56.400 -0.054 0.000 0.813 394 E CB -0.434 29.248 29.700 -0.031 0.000 0.768 394 E HN 0.327 nan 8.360 nan 0.000 0.457 395 L N 0.764 122.015 121.223 0.047 0.000 2.313 395 L HA -0.036 4.304 4.340 0.002 0.000 0.214 395 L C 2.515 179.434 176.870 0.082 0.000 1.119 395 L CA -0.006 54.867 54.840 0.056 0.000 0.809 395 L CB -0.369 41.733 42.059 0.072 0.000 0.933 395 L HN 0.047 nan 8.230 nan 0.000 0.449 396 I N 0.874 121.515 120.570 0.117 0.000 2.113 396 I HA -0.238 3.933 4.170 0.002 0.000 0.242 396 I C 0.081 176.267 176.117 0.115 0.000 1.057 396 I CA 2.205 63.599 61.300 0.157 0.000 1.314 396 I CB -2.386 35.709 38.000 0.158 0.000 1.022 396 I HN 0.187 nan 8.210 nan 0.000 0.408 397 P HA -0.188 nan 4.420 nan 0.000 0.215 397 P C 1.699 179.036 177.300 0.061 0.000 1.153 397 P CA 1.497 64.628 63.100 0.052 0.000 0.853 397 P CB -0.080 31.632 31.700 0.019 0.000 0.788 398 E N -0.796 119.438 120.200 0.055 0.000 2.204 398 E HA -0.133 4.218 4.350 0.002 0.000 0.194 398 E C 1.762 178.427 176.600 0.109 0.000 0.989 398 E CA 0.943 57.381 56.400 0.064 0.000 0.824 398 E CB -0.260 29.466 29.700 0.042 0.000 0.756 398 E HN 0.102 nan 8.360 nan 0.000 0.477 399 A N -0.034 122.850 122.820 0.108 0.000 1.911 399 A HA -0.036 4.285 4.320 0.002 0.000 0.212 399 A C 2.265 179.935 177.584 0.143 0.000 1.189 399 A CA 1.212 53.320 52.037 0.118 0.000 0.639 399 A CB -0.542 18.513 19.000 0.092 0.000 0.839 399 A HN 0.237 nan 8.150 nan 0.000 0.449 400 T N 0.133 114.782 114.554 0.158 0.000 2.897 400 T HA -0.149 4.202 4.350 0.002 0.000 0.271 400 T C 1.772 176.565 174.700 0.155 0.000 1.084 400 T CA 1.804 64.013 62.100 0.182 0.000 1.123 400 T CB -0.114 68.851 68.868 0.162 0.000 0.865 400 T HN 0.603 nan 8.240 nan 0.000 0.496 401 E N 1.617 121.880 120.200 0.105 0.000 2.030 401 E HA -0.002 4.349 4.350 0.002 0.000 0.189 401 E C 2.034 178.650 176.600 0.027 0.000 0.974 401 E CA 1.000 57.437 56.400 0.062 0.000 0.807 401 E CB -0.317 29.403 29.700 0.033 0.000 0.771 401 E HN 0.178 nan 8.360 nan 0.000 0.451 402 K N -0.978 119.402 120.400 -0.033 0.000 2.366 402 K HA -0.178 4.143 4.320 0.002 0.000 0.202 402 K C 1.164 177.667 176.600 -0.162 0.000 1.045 402 K CA 1.447 57.596 56.287 -0.231 0.000 0.934 402 K CB -0.347 31.736 32.500 -0.694 0.000 0.746 402 K HN 0.271 nan 8.250 nan 0.000 0.470 403 Y N -1.299 118.923 120.300 -0.129 0.000 2.594 403 Y HA 0.256 4.807 4.550 0.001 0.000 0.283 403 Y C 1.422 177.335 175.900 0.022 0.000 1.140 403 Y CA 0.383 58.463 58.100 -0.034 0.000 1.261 403 Y CB 0.399 38.898 38.460 0.064 0.000 1.358 403 Y HN -0.138 nan 8.280 nan 0.000 0.513 404 L N -0.970 120.383 121.223 0.217 0.000 2.567 404 L HA 0.214 4.555 4.340 0.002 0.000 0.225 404 L C 2.179 179.097 176.870 0.080 0.000 1.119 404 L CA 0.630 55.561 54.840 0.152 0.000 0.871 404 L CB -0.522 41.639 42.059 0.171 0.000 1.036 404 L HN 0.248 nan 8.230 nan 0.000 0.459 405 G N 0.485 109.315 108.800 0.049 0.000 2.535 405 G HA2 -0.063 3.898 3.960 0.002 0.000 0.218 405 G HA3 -0.063 3.898 3.960 0.002 0.000 0.218 405 G C 1.059 175.962 174.900 0.004 0.000 1.122 405 G CA 0.625 45.735 45.100 0.017 0.000 0.769 405 G HN 0.452 nan 8.290 nan 0.000 0.549 406 G N 0.269 109.071 108.800 0.003 0.000 3.022 406 G HA2 0.330 4.291 3.960 0.002 0.000 0.157 406 G HA3 0.330 4.291 3.960 0.002 0.000 0.157 406 G C 0.737 175.644 174.900 0.012 0.000 1.691 406 G CA 0.541 45.639 45.100 -0.002 0.000 1.079 406 G HN 0.678 nan 8.290 nan 0.000 0.549 407 T N -0.603 113.960 114.554 0.015 0.000 2.860 407 T HA -0.051 4.300 4.350 0.002 0.000 0.295 407 T C 0.453 175.170 174.700 0.027 0.000 1.041 407 T CA 0.948 63.060 62.100 0.020 0.000 1.132 407 T CB 0.433 69.316 68.868 0.025 0.000 1.072 407 T HN 0.429 nan 8.240 nan 0.000 0.504 408 D N 0.147 120.561 120.400 0.023 0.000 2.355 408 D HA -0.024 4.617 4.640 0.002 0.000 0.218 408 D C 0.459 176.776 176.300 0.028 0.000 1.004 408 D CA 0.050 54.064 54.000 0.024 0.000 0.880 408 D CB -0.022 40.788 40.800 0.017 0.000 0.911 408 D HN 0.692 nan 8.370 nan 0.000 0.528 409 D N 2.126 122.544 120.400 0.030 0.000 2.451 409 D HA -0.071 4.570 4.640 0.002 0.000 0.254 409 D C 1.676 178.002 176.300 0.044 0.000 1.204 409 D CA 0.273 54.294 54.000 0.034 0.000 0.896 409 D CB 1.155 41.976 40.800 0.035 0.000 1.136 409 D HN 0.079 nan 8.370 nan 0.000 0.499 410 T N 0.772 115.350 114.554 0.040 0.000 2.652 410 T HA -0.189 4.162 4.350 0.002 0.000 0.267 410 T C 2.047 176.783 174.700 0.060 0.000 1.039 410 T CA 1.407 63.533 62.100 0.044 0.000 1.153 410 T CB -0.623 68.265 68.868 0.034 0.000 0.863 410 T HN 0.225 nan 8.240 nan 0.000 0.428 411 V N 2.012 121.961 119.914 0.058 0.000 2.568 411 V HA -0.161 3.960 4.120 0.002 0.000 0.253 411 V C 2.705 178.851 176.094 0.086 0.000 1.072 411 V CA 1.929 64.271 62.300 0.071 0.000 1.084 411 V CB -0.777 31.081 31.823 0.058 0.000 0.676 411 V HN 0.579 nan 8.190 nan 0.000 0.469 412 K N -0.067 120.380 120.400 0.078 0.000 2.167 412 K HA -0.060 4.261 4.320 0.002 0.000 0.203 412 K C 2.205 178.876 176.600 0.119 0.000 1.052 412 K CA 0.837 57.177 56.287 0.087 0.000 0.956 412 K CB -0.105 32.435 32.500 0.066 0.000 0.735 412 K HN 0.421 nan 8.250 nan 0.000 0.451 413 K N 1.169 121.639 120.400 0.117 0.000 2.103 413 K HA -0.085 4.236 4.320 0.002 0.000 0.204 413 K C 2.049 178.774 176.600 0.208 0.000 1.052 413 K CA 0.811 57.189 56.287 0.151 0.000 0.945 413 K CB 0.068 32.632 32.500 0.106 0.000 0.722 413 K HN -0.019 nan 8.250 nan 0.000 0.443 414 K N 1.078 121.579 120.400 0.169 0.000 2.281 414 K HA -0.199 4.122 4.320 0.002 0.000 0.203 414 K C 0.707 177.476 176.600 0.281 0.000 1.046 414 K CA 1.542 57.954 56.287 0.208 0.000 0.938 414 K CB 0.157 32.746 32.500 0.149 0.000 0.737 414 K HN 0.120 nan 8.250 nan 0.000 0.458 415 D N 0.291 120.829 120.400 0.230 0.000 2.338 415 D HA 0.006 4.647 4.640 0.002 0.000 0.224 415 D C 2.013 178.461 176.300 0.247 0.000 0.967 415 D CA 0.336 54.468 54.000 0.220 0.000 0.896 415 D CB 0.023 40.918 40.800 0.158 0.000 1.028 415 D HN 0.138 nan 8.370 nan 0.000 0.493 416 L N 0.528 121.899 121.223 0.247 0.000 2.127 416 L HA -0.167 4.174 4.340 0.002 0.000 0.211 416 L C 2.350 179.437 176.870 0.362 0.000 1.089 416 L CA 0.706 55.718 54.840 0.288 0.000 0.757 416 L CB -0.296 41.916 42.059 0.256 0.000 0.899 416 L HN -0.009 nan 8.230 nan 0.000 0.434 417 F N 0.722 120.790 119.950 0.197 0.000 2.102 417 F HA -0.220 4.308 4.527 0.001 0.000 0.298 417 F C 2.163 178.060 175.800 0.161 0.000 1.105 417 F CA 1.539 59.640 58.000 0.168 0.000 1.239 417 F CB -0.276 38.826 39.000 0.171 0.000 0.991 417 F HN -0.126 nan 8.300 nan 0.000 0.474 418 L N -0.103 121.222 121.223 0.170 0.000 2.131 418 L HA -0.219 4.122 4.340 0.002 0.000 0.210 418 L C 2.061 178.981 176.870 0.082 0.000 1.092 418 L CA 1.393 56.309 54.840 0.126 0.000 0.759 418 L CB -0.905 41.318 42.059 0.273 0.000 0.903 418 L HN 0.146 nan 8.230 nan 0.000 0.435 419 D N 0.030 120.520 120.400 0.149 0.000 2.183 419 D HA -0.145 4.496 4.640 0.002 0.000 0.203 419 D C 2.220 178.607 176.300 0.145 0.000 0.969 419 D CA 0.681 54.799 54.000 0.197 0.000 0.842 419 D CB -0.001 40.969 40.800 0.284 0.000 0.957 419 D HN 0.144 nan 8.370 nan 0.000 0.484 420 L N 1.446 122.666 121.223 -0.004 0.000 2.013 420 L HA -0.168 4.173 4.340 0.002 0.000 0.212 420 L C 2.148 178.786 176.870 -0.388 0.000 1.073 420 L CA 1.476 56.074 54.840 -0.404 0.000 0.753 420 L CB -0.881 40.902 42.059 -0.459 0.000 0.890 420 L HN 0.001 nan 8.230 nan 0.000 0.432 421 I N -0.027 120.249 120.570 -0.490 0.000 2.202 421 I HA -0.226 3.945 4.170 0.002 0.000 0.242 421 I C 2.724 178.606 176.117 -0.391 0.000 1.091 421 I CA 1.048 61.972 61.300 -0.626 0.000 1.368 421 I CB -0.578 36.732 38.000 -1.150 0.000 1.058 421 I HN 0.272 nan 8.210 nan 0.000 0.410 422 A N 0.496 123.224 122.820 -0.153 0.000 2.032 422 A HA -0.269 4.052 4.320 0.002 0.000 0.221 422 A C 1.865 179.518 177.584 0.114 0.000 1.165 422 A CA 2.258 54.372 52.037 0.128 0.000 0.645 422 A CB -0.562 18.544 19.000 0.177 0.000 0.807 422 A HN 0.385 nan 8.150 nan 0.000 0.453 423 D N -0.800 119.592 120.400 -0.013 0.000 2.162 423 D HA -0.019 4.622 4.640 0.002 0.000 0.205 423 D C 2.063 178.203 176.300 -0.268 0.000 0.964 423 D CA 1.246 55.230 54.000 -0.027 0.000 0.847 423 D CB -0.244 40.648 40.800 0.154 0.000 0.988 423 D HN 0.234 nan 8.370 nan 0.000 0.480 424 V N 0.957 120.548 119.914 -0.539 0.000 2.453 424 V HA -0.153 3.968 4.120 0.002 0.000 0.247 424 V C 2.419 178.249 176.094 -0.440 0.000 1.048 424 V CA 1.108 63.007 62.300 -0.669 0.000 1.049 424 V CB -0.304 31.009 31.823 -0.849 0.000 0.672 424 V HN 0.194 nan 8.190 nan 0.000 0.457 425 M N -1.381 117.956 119.600 -0.437 0.000 2.160 425 M HA 0.022 4.503 4.480 0.002 0.000 0.264 425 M C 1.930 177.762 176.300 -0.781 0.000 1.073 425 M CA 2.127 57.032 55.300 -0.659 0.000 1.142 425 M CB -0.193 31.904 32.600 -0.838 0.000 1.358 425 M HN 0.385 nan 8.290 nan 0.000 0.422 426 F N -1.501 118.376 119.950 -0.122 0.000 2.495 426 F HA 0.357 4.885 4.527 0.002 0.000 0.272 426 F C 2.398 178.151 175.800 -0.078 0.000 0.919 426 F CA 0.196 58.153 58.000 -0.071 0.000 1.178 426 F CB -1.514 37.482 39.000 -0.007 0.000 1.030 426 F HN 0.067 nan 8.300 nan 0.000 0.777 427 G N 1.516 110.414 108.800 0.165 0.000 2.812 427 G HA2 -0.288 3.673 3.960 0.002 0.000 0.218 427 G HA3 -0.288 3.673 3.960 0.002 0.000 0.218 427 G C 1.713 176.626 174.900 0.022 0.000 1.287 427 G CA 2.393 47.536 45.100 0.072 0.000 0.796 427 G HN 0.179 nan 8.290 nan 0.000 0.649 428 V N 2.488 122.406 119.914 0.006 0.000 2.261 428 V HA -0.127 3.994 4.120 0.002 0.000 0.246 428 V C 0.524 176.614 176.094 -0.006 0.000 1.047 428 V CA 2.480 64.797 62.300 0.028 0.000 1.015 428 V CB -1.399 30.453 31.823 0.048 0.000 0.642 428 V HN 0.314 nan 8.190 nan 0.000 0.446 429 P HA -0.173 nan 4.420 nan 0.000 0.217 429 P C 2.027 179.291 177.300 -0.060 0.000 1.162 429 P CA 2.281 65.340 63.100 -0.069 0.000 0.901 429 P CB -0.161 31.463 31.700 -0.127 0.000 0.793 430 S N -0.696 114.968 115.700 -0.060 0.000 2.353 430 S HA -0.141 4.330 4.470 0.002 0.000 0.222 430 S C 2.039 176.551 174.600 -0.146 0.000 1.035 430 S CA 1.625 59.764 58.200 -0.102 0.000 1.025 430 S CB -1.451 61.692 63.200 -0.094 0.000 0.902 430 S HN -0.043 nan 8.310 nan 0.000 0.440 431 V N 2.235 122.084 119.914 -0.109 0.000 2.343 431 V HA -0.168 3.953 4.120 0.002 0.000 0.247 431 V C 2.100 178.169 176.094 -0.042 0.000 1.051 431 V CA 1.506 63.745 62.300 -0.101 0.000 1.036 431 V CB -0.765 31.050 31.823 -0.014 0.000 0.654 431 V HN 0.450 nan 8.190 nan 0.000 0.451 432 I N -0.291 120.277 120.570 -0.004 0.000 2.226 432 I HA -0.211 3.960 4.170 0.002 0.000 0.245 432 I C 2.378 178.508 176.117 0.021 0.000 1.100 432 I CA 1.267 62.585 61.300 0.030 0.000 1.374 432 I CB -0.418 37.602 38.000 0.034 0.000 1.057 432 I HN 0.168 nan 8.210 nan 0.000 0.413 433 V N 1.058 120.960 119.914 -0.019 0.000 2.427 433 V HA -0.272 3.849 4.120 0.002 0.000 0.248 433 V C 2.727 178.811 176.094 -0.016 0.000 1.051 433 V CA 1.892 64.192 62.300 -0.000 0.000 1.048 433 V CB -0.948 30.855 31.823 -0.033 0.000 0.666 433 V HN 0.483 nan 8.190 nan 0.000 0.456 434 A N 0.099 122.823 122.820 -0.161 0.000 1.877 434 A HA -0.242 4.079 4.320 0.002 0.000 0.216 434 A C 2.374 179.937 177.584 -0.036 0.000 1.186 434 A CA 1.974 53.843 52.037 -0.280 0.000 0.620 434 A CB -0.500 18.096 19.000 -0.672 0.000 0.822 434 A HN 0.502 nan 8.150 nan 0.000 0.443 435 R N -0.423 120.118 120.500 0.069 0.000 2.080 435 R HA -0.160 4.181 4.340 0.002 0.000 0.236 435 R C 2.044 178.449 176.300 0.175 0.000 1.137 435 R CA 1.846 58.079 56.100 0.222 0.000 0.943 435 R CB -0.516 29.907 30.300 0.204 0.000 0.846 435 R HN 0.620 nan 8.270 nan 0.000 0.431 436 N N -0.480 118.312 118.700 0.152 0.000 2.149 436 N HA -0.189 4.552 4.740 0.002 0.000 0.188 436 N C 1.626 177.257 175.510 0.202 0.000 1.019 436 N CA 1.322 54.467 53.050 0.160 0.000 0.857 436 N CB -0.220 38.366 38.487 0.164 0.000 0.997 436 N HN 0.291 nan 8.380 nan 0.000 0.426 437 H N 0.663 119.831 119.070 0.162 0.000 2.357 437 H HA 0.087 4.644 4.556 0.002 0.000 0.301 437 H C 2.170 177.581 175.328 0.139 0.000 1.082 437 H CA 1.417 57.591 56.048 0.210 0.000 1.342 437 H CB 0.107 30.028 29.762 0.264 0.000 1.389 437 H HN 0.049 nan 8.280 nan 0.000 0.511 438 R N 0.395 121.007 120.500 0.187 0.000 2.083 438 R HA -0.122 4.218 4.340 0.002 0.000 0.237 438 R C 0.835 177.161 176.300 0.044 0.000 1.137 438 R CA 1.941 58.118 56.100 0.128 0.000 0.951 438 R CB -0.131 30.307 30.300 0.230 0.000 0.851 438 R HN 0.413 nan 8.270 nan 0.000 0.434 439 D N 0.055 120.488 120.400 0.056 0.000 2.378 439 D HA -0.035 4.606 4.640 0.002 0.000 0.227 439 D C 1.138 177.420 176.300 -0.031 0.000 1.012 439 D CA 0.797 54.809 54.000 0.020 0.000 0.905 439 D CB 0.347 41.172 40.800 0.041 0.000 0.895 439 D HN 0.392 nan 8.370 nan 0.000 0.532 440 A N -0.021 122.752 122.820 -0.079 0.000 2.178 440 A HA 0.410 4.731 4.320 0.002 0.000 0.211 440 A C 1.795 179.267 177.584 -0.188 0.000 1.157 440 A CA 0.893 52.822 52.037 -0.180 0.000 0.780 440 A CB 0.079 18.897 19.000 -0.303 0.000 0.828 440 A HN 0.234 nan 8.150 nan 0.000 0.476 441 G N -2.254 106.466 108.800 -0.134 0.000 2.134 441 G HA2 0.206 4.167 3.960 0.002 0.000 0.209 441 G HA3 0.206 4.167 3.960 0.002 0.000 0.209 441 G C 0.192 175.029 174.900 -0.104 0.000 0.993 441 G CA 0.184 45.225 45.100 -0.099 0.000 0.669 441 G HN 1.520 nan 8.290 nan 0.000 0.519 442 A N -0.107 122.620 122.820 -0.156 0.000 2.320 442 A HA 0.897 5.218 4.320 0.002 0.000 0.334 442 A C -2.467 175.148 177.584 0.051 0.000 1.147 442 A CA -1.721 50.257 52.037 -0.099 0.000 0.820 442 A CB 1.208 20.035 19.000 -0.289 0.000 1.218 442 A HN 0.055 nan 8.150 nan 0.000 0.482 443 P HA 0.197 nan 4.420 nan 0.000 0.262 443 P C -0.572 176.874 177.300 0.244 0.000 1.199 443 P CA 0.880 64.076 63.100 0.160 0.000 0.763 443 P CB 0.538 32.378 31.700 0.234 0.000 0.790 444 T N 3.447 118.017 114.554 0.027 0.000 2.893 444 T HA 0.563 4.914 4.350 0.002 0.000 0.293 444 T C -1.024 173.492 174.700 -0.306 0.000 1.027 444 T CA -0.294 61.840 62.100 0.056 0.000 0.988 444 T CB 0.861 69.822 68.868 0.155 0.000 1.043 444 T HN 0.101 nan 8.240 nan 0.000 0.461 445 Y N 0.992 121.274 120.300 -0.031 0.000 2.524 445 Y HA 0.702 5.253 4.550 0.002 0.000 0.347 445 Y C -0.052 175.862 175.900 0.022 0.000 1.005 445 Y CA -1.140 56.949 58.100 -0.020 0.000 1.025 445 Y CB 2.093 40.248 38.460 -0.508 0.000 1.275 445 Y HN 0.349 nan 8.280 nan 0.000 0.460 446 M N 2.893 122.784 119.600 0.485 0.000 2.619 446 M HA 0.527 5.008 4.480 0.002 0.000 0.297 446 M C -1.632 175.007 176.300 0.564 0.000 1.229 446 M CA -1.012 54.453 55.300 0.275 0.000 0.860 446 M CB 3.244 35.827 32.600 -0.028 0.000 1.741 446 M HN 0.779 nan 8.290 nan 0.000 0.462 447 Y N -1.226 119.242 120.300 0.279 0.000 2.609 447 Y HA 0.698 5.249 4.550 0.002 0.000 0.336 447 Y C -1.662 174.345 175.900 0.178 0.000 1.129 447 Y CA -0.921 57.292 58.100 0.187 0.000 1.040 447 Y CB 1.600 40.155 38.460 0.158 0.000 1.310 447 Y HN 0.707 nan 8.280 nan 0.000 0.460 448 E N 3.278 123.712 120.200 0.389 0.000 2.279 448 E HA 0.276 4.627 4.350 0.002 0.000 0.252 448 E C -2.165 174.703 176.600 0.447 0.000 0.894 448 E CA -0.788 55.781 56.400 0.282 0.000 0.785 448 E CB 1.076 30.888 29.700 0.187 0.000 1.237 448 E HN 0.656 nan 8.360 nan 0.000 0.418 449 F N 4.711 124.897 119.950 0.393 0.000 2.445 449 F HA 0.155 4.683 4.527 0.001 0.000 0.359 449 F C -0.125 175.801 175.800 0.209 0.000 1.101 449 F CA 0.055 58.234 58.000 0.298 0.000 1.177 449 F CB 0.619 39.816 39.000 0.329 0.000 1.110 449 F HN 0.371 nan 8.300 nan 0.000 0.522 450 Q N 7.084 126.752 119.800 -0.220 0.000 2.771 450 Q HA 0.343 4.684 4.340 0.002 0.000 0.247 450 Q C -1.913 173.946 176.000 -0.235 0.000 0.986 450 Q CA -0.810 54.918 55.803 -0.125 0.000 0.713 450 Q CB 1.658 30.386 28.738 -0.017 0.000 1.241 450 Q HN 0.729 nan 8.270 nan 0.000 0.488 451 Y N 0.631 120.670 120.300 -0.435 0.000 2.604 451 Y HA 0.391 4.942 4.550 0.001 0.000 0.331 451 Y C -1.762 174.098 175.900 -0.066 0.000 1.158 451 Y CA -0.925 56.975 58.100 -0.333 0.000 1.056 451 Y CB 2.068 40.177 38.460 -0.585 0.000 1.330 451 Y HN 0.593 nan 8.280 nan 0.000 0.457 452 R N 6.560 126.696 120.500 -0.607 0.000 2.287 452 R HA 0.460 4.801 4.340 0.002 0.000 0.316 452 R C -2.778 173.280 176.300 -0.403 0.000 1.050 452 R CA -2.025 53.865 56.100 -0.350 0.000 0.983 452 R CB 0.803 30.898 30.300 -0.342 0.000 1.140 452 R HN 0.393 nan 8.270 nan 0.000 0.528 453 P HA -0.042 nan 4.420 nan 0.000 0.266 453 P C 0.143 177.211 177.300 -0.386 0.000 1.195 453 P CA 0.164 63.206 63.100 -0.095 0.000 0.768 453 P CB 1.235 32.901 31.700 -0.057 0.000 0.838 454 S N 0.884 116.219 115.700 -0.607 0.000 2.603 454 S HA -0.022 4.449 4.470 0.002 0.000 0.229 454 S C 1.009 175.185 174.600 -0.707 0.000 0.972 454 S CA 0.293 58.102 58.200 -0.650 0.000 0.935 454 S CB -1.079 61.701 63.200 -0.700 0.000 0.769 454 S HN 0.417 nan 8.310 nan 0.000 0.536 455 F N 1.716 121.418 119.950 -0.412 0.000 2.693 455 F HA 0.367 4.895 4.527 0.001 0.000 0.303 455 F C 1.308 176.838 175.800 -0.450 0.000 1.097 455 F CA -0.668 57.035 58.000 -0.495 0.000 1.330 455 F CB -0.137 38.371 39.000 -0.820 0.000 1.067 455 F HN 0.041 nan 8.300 nan 0.000 0.565 456 S N 0.144 115.684 115.700 -0.267 0.000 2.580 456 S HA 0.020 4.491 4.470 0.002 0.000 0.261 456 S C 0.605 175.138 174.600 -0.112 0.000 1.366 456 S CA -0.427 57.681 58.200 -0.153 0.000 0.996 456 S CB 0.780 63.861 63.200 -0.198 0.000 0.902 456 S HN 0.260 nan 8.310 nan 0.000 0.566 457 S N -0.090 115.547 115.700 -0.105 0.000 2.614 457 S HA 0.081 4.552 4.470 0.002 0.000 0.265 457 S C 0.804 175.286 174.600 -0.197 0.000 1.303 457 S CA -0.663 57.488 58.200 -0.080 0.000 1.000 457 S CB 0.213 63.438 63.200 0.042 0.000 0.935 457 S HN 0.630 nan 8.310 nan 0.000 0.551 458 D N 2.541 122.873 120.400 -0.113 0.000 2.084 458 D HA -0.110 4.531 4.640 0.002 0.000 0.196 458 D C 1.871 178.062 176.300 -0.181 0.000 0.985 458 D CA 1.439 55.363 54.000 -0.126 0.000 0.826 458 D CB -0.303 40.462 40.800 -0.059 0.000 0.978 458 D HN 0.607 nan 8.370 nan 0.000 0.456 459 M N 0.494 120.026 119.600 -0.113 0.000 2.521 459 M HA -0.142 4.339 4.480 0.002 0.000 0.260 459 M C 1.044 177.101 176.300 -0.406 0.000 1.068 459 M CA 0.788 56.053 55.300 -0.060 0.000 1.060 459 M CB -0.283 32.459 32.600 0.238 0.000 1.398 459 M HN -0.167 nan 8.290 nan 0.000 0.473 460 K N 2.941 122.811 120.400 -0.884 0.000 2.316 460 K HA 0.166 4.487 4.320 0.002 0.000 0.289 460 K C -2.221 173.990 176.600 -0.648 0.000 1.070 460 K CA -1.691 53.762 56.287 -1.390 0.000 0.928 460 K CB 0.662 32.395 32.500 -1.277 0.000 1.039 460 K HN -0.086 nan 8.250 nan 0.000 0.480 461 P HA -0.030 nan 4.420 nan 0.000 0.265 461 P C -0.825 176.354 177.300 -0.202 0.000 1.193 461 P CA 0.160 63.123 63.100 -0.229 0.000 0.765 461 P CB 0.603 32.237 31.700 -0.109 0.000 0.823 462 K N 1.578 121.886 120.400 -0.154 0.000 2.665 462 K HA 0.077 4.397 4.320 0.002 0.000 0.214 462 K C 0.599 177.136 176.600 -0.107 0.000 1.032 462 K CA 0.331 56.532 56.287 -0.143 0.000 1.198 462 K CB -0.259 32.161 32.500 -0.135 0.000 0.941 462 K HN 0.485 nan 8.250 nan 0.000 0.491 463 T N -0.659 113.847 114.554 -0.080 0.000 2.971 463 T HA 0.062 4.412 4.350 0.002 0.000 0.252 463 T C 0.555 175.238 174.700 -0.029 0.000 1.022 463 T CA -0.152 61.922 62.100 -0.044 0.000 0.980 463 T CB 0.536 69.397 68.868 -0.012 0.000 1.044 463 T HN -0.117 nan 8.240 nan 0.000 0.501 464 V N 3.155 123.047 119.914 -0.037 0.000 2.439 464 V HA 0.359 4.480 4.120 0.002 0.000 0.271 464 V C -0.185 175.898 176.094 -0.019 0.000 1.040 464 V CA -0.153 62.149 62.300 0.003 0.000 1.002 464 V CB 0.075 31.915 31.823 0.028 0.000 1.000 464 V HN 0.380 nan 8.190 nan 0.000 0.477 465 I N 4.465 125.038 120.570 0.006 0.000 2.466 465 I HA 0.614 4.785 4.170 0.002 0.000 0.279 465 I C 0.750 176.904 176.117 0.061 0.000 1.033 465 I CA -0.189 61.103 61.300 -0.013 0.000 1.123 465 I CB 1.529 39.494 38.000 -0.058 0.000 1.237 465 I HN 0.854 nan 8.210 nan 0.000 0.460 466 G N 3.623 112.503 108.800 0.133 0.000 2.181 466 G HA2 -0.194 3.767 3.960 0.002 0.000 0.152 466 G HA3 -0.194 3.767 3.960 0.002 0.000 0.152 466 G C -0.332 174.703 174.900 0.225 0.000 1.026 466 G CA -0.615 44.623 45.100 0.230 0.000 0.699 466 G HN 0.614 nan 8.290 nan 0.000 0.497 467 D N 0.031 120.563 120.400 0.219 0.000 2.399 467 D HA 0.337 4.978 4.640 0.002 0.000 0.241 467 D C 0.932 177.379 176.300 0.245 0.000 1.133 467 D CA -0.165 53.976 54.000 0.235 0.000 0.890 467 D CB 0.333 41.295 40.800 0.272 0.000 1.201 467 D HN 0.354 nan 8.370 nan 0.000 0.432 468 H N 1.744 120.880 119.070 0.110 0.000 3.195 468 H HA 0.195 4.752 4.556 0.002 0.000 0.302 468 H C 1.328 176.739 175.328 0.139 0.000 0.950 468 H CA 1.777 57.860 56.048 0.059 0.000 1.398 468 H CB -0.116 29.663 29.762 0.029 0.000 1.377 468 H HN 0.641 nan 8.280 nan 0.000 0.572 469 G N 4.452 113.022 108.800 -0.383 0.000 2.198 469 G HA2 -0.280 3.680 3.960 0.002 0.000 0.257 469 G HA3 -0.280 3.680 3.960 0.002 0.000 0.257 469 G C 0.858 175.563 174.900 -0.325 0.000 1.042 469 G CA 0.456 45.252 45.100 -0.508 0.000 0.791 469 G HN 0.694 nan 8.290 nan 0.000 0.502 470 D N 0.220 120.601 120.400 -0.033 0.000 2.240 470 D HA -0.002 4.639 4.640 0.002 0.000 0.206 470 D C 2.403 178.717 176.300 0.023 0.000 0.963 470 D CA 0.970 55.106 54.000 0.226 0.000 0.863 470 D CB 0.028 41.087 40.800 0.432 0.000 0.973 470 D HN 0.647 nan 8.370 nan 0.000 0.501 471 E N 1.444 121.317 120.200 -0.545 0.000 2.268 471 E HA -0.140 4.211 4.350 0.002 0.000 0.195 471 E C 2.188 178.447 176.600 -0.569 0.000 0.995 471 E CA 0.311 55.982 56.400 -1.214 0.000 0.836 471 E CB -0.717 28.256 29.700 -1.213 0.000 0.763 471 E HN 0.320 nan 8.360 nan 0.000 0.491 472 L N -0.187 120.773 121.223 -0.439 0.000 2.043 472 L HA -0.187 4.154 4.340 0.002 0.000 0.212 472 L C 2.606 179.245 176.870 -0.384 0.000 1.075 472 L CA 1.734 56.316 54.840 -0.430 0.000 0.752 472 L CB -0.690 40.952 42.059 -0.695 0.000 0.891 472 L HN 0.035 nan 8.230 nan 0.000 0.432 473 F N -0.541 119.336 119.950 -0.122 0.000 2.234 473 F HA -0.179 4.349 4.527 0.002 0.000 0.299 473 F C 2.657 178.449 175.800 -0.012 0.000 1.087 473 F CA 1.215 59.193 58.000 -0.036 0.000 1.340 473 F CB -0.510 38.585 39.000 0.158 0.000 1.031 473 F HN -0.015 nan 8.300 nan 0.000 0.500 474 S N -0.097 115.658 115.700 0.092 0.000 2.348 474 S HA -0.107 4.364 4.470 0.002 0.000 0.219 474 S C 2.293 176.789 174.600 -0.173 0.000 1.033 474 S CA 1.009 59.206 58.200 -0.006 0.000 0.974 474 S CB -0.604 62.578 63.200 -0.032 0.000 0.868 474 S HN 0.101 nan 8.310 nan 0.000 0.459 475 V N 0.817 120.517 119.914 -0.357 0.000 2.380 475 V HA -0.146 3.975 4.120 0.002 0.000 0.251 475 V C 1.240 177.066 176.094 -0.446 0.000 1.063 475 V CA 1.616 63.598 62.300 -0.530 0.000 1.055 475 V CB -0.636 30.840 31.823 -0.578 0.000 0.657 475 V HN 0.443 nan 8.190 nan 0.000 0.455 476 F N 0.221 119.995 119.950 -0.293 0.000 2.730 476 F HA 0.476 5.004 4.527 0.001 0.000 0.295 476 F C 1.581 177.284 175.800 -0.161 0.000 1.143 476 F CA 0.245 58.095 58.000 -0.251 0.000 1.367 476 F CB -0.216 38.590 39.000 -0.323 0.000 0.970 476 F HN 0.201 nan 8.300 nan 0.000 0.514 477 G N 0.891 109.699 108.800 0.014 0.000 2.395 477 G HA2 -0.313 3.648 3.960 0.002 0.000 0.300 477 G HA3 -0.313 3.648 3.960 0.002 0.000 0.300 477 G C 1.348 176.357 174.900 0.183 0.000 0.998 477 G CA 0.392 45.593 45.100 0.168 0.000 1.046 477 G HN 0.609 nan 8.290 nan 0.000 0.513 478 A N 0.051 122.906 122.820 0.059 0.000 1.986 478 A HA 0.052 4.373 4.320 0.002 0.000 0.220 478 A C 0.696 178.171 177.584 -0.181 0.000 1.171 478 A CA 2.153 54.108 52.037 -0.137 0.000 0.640 478 A CB -0.754 18.096 19.000 -0.250 0.000 0.811 478 A HN 0.492 nan 8.150 nan 0.000 0.451 479 P HA -0.113 nan 4.420 nan 0.000 0.219 479 P C 0.522 177.581 177.300 -0.402 0.000 1.146 479 P CA 0.938 63.935 63.100 -0.172 0.000 0.808 479 P CB -0.131 31.318 31.700 -0.418 0.000 0.779 480 F N -2.588 117.368 119.950 0.010 0.000 2.727 480 F HA 0.217 4.745 4.527 0.001 0.000 0.302 480 F C 1.695 177.512 175.800 0.028 0.000 1.097 480 F CA 0.413 58.433 58.000 0.032 0.000 1.330 480 F CB -0.366 38.636 39.000 0.005 0.000 1.084 480 F HN -0.170 nan 8.300 nan 0.000 0.578 481 L N -1.764 119.519 121.223 0.101 0.000 2.730 481 L HA 0.225 4.565 4.340 0.002 0.000 0.236 481 L C 1.150 178.017 176.870 -0.005 0.000 1.061 481 L CA 0.144 55.014 54.840 0.050 0.000 0.898 481 L CB 0.127 42.194 42.059 0.013 0.000 1.270 481 L HN -0.195 nan 8.230 nan 0.000 0.500 482 K N 0.588 120.946 120.400 -0.070 0.000 2.520 482 K HA 0.360 4.681 4.320 0.002 0.000 0.256 482 K C -0.516 176.117 176.600 0.056 0.000 1.033 482 K CA -0.451 55.800 56.287 -0.061 0.000 1.007 482 K CB 0.979 33.312 32.500 -0.278 0.000 1.330 482 K HN -0.188 nan 8.250 nan 0.000 0.507 483 E N -1.591 118.685 120.200 0.128 0.000 2.277 483 E HA 0.375 4.726 4.350 0.002 0.000 0.266 483 E C -0.486 176.196 176.600 0.137 0.000 0.901 483 E CA -0.039 56.428 56.400 0.111 0.000 0.782 483 E CB 1.685 31.425 29.700 0.066 0.000 1.228 483 E HN 0.628 nan 8.360 nan 0.000 0.424 484 G N 1.506 110.338 108.800 0.054 0.000 2.160 484 G HA2 -0.184 3.777 3.960 0.002 0.000 0.244 484 G HA3 -0.184 3.777 3.960 0.002 0.000 0.244 484 G C 0.092 174.952 174.900 -0.067 0.000 1.022 484 G CA 0.067 45.162 45.100 -0.008 0.000 0.741 484 G HN 0.727 nan 8.290 nan 0.000 0.508 485 A N 0.489 123.291 122.820 -0.030 0.000 2.409 485 A HA 0.725 5.046 4.320 0.002 0.000 0.267 485 A C 1.071 178.598 177.584 -0.095 0.000 1.127 485 A CA 0.780 52.761 52.037 -0.093 0.000 0.795 485 A CB 0.326 19.311 19.000 -0.024 0.000 1.061 485 A HN 1.985 nan 8.150 nan 0.000 0.502 486 S N 1.618 117.253 115.700 -0.108 0.000 2.579 486 S HA 0.116 4.587 4.470 0.002 0.000 0.275 486 S C 0.819 175.384 174.600 -0.057 0.000 1.345 486 S CA 0.319 58.477 58.200 -0.070 0.000 1.031 486 S CB 0.874 64.039 63.200 -0.058 0.000 0.892 486 S HN 0.769 nan 8.310 nan 0.000 0.529 487 E N 0.548 120.725 120.200 -0.039 0.000 2.333 487 E HA -0.169 4.182 4.350 0.002 0.000 0.198 487 E C 1.720 178.305 176.600 -0.025 0.000 1.007 487 E CA 1.487 57.870 56.400 -0.029 0.000 0.845 487 E CB -0.170 29.522 29.700 -0.013 0.000 0.766 487 E HN 0.828 nan 8.360 nan 0.000 0.507 488 E N -0.087 120.099 120.200 -0.022 0.000 2.112 488 E HA -0.171 4.180 4.350 0.002 0.000 0.190 488 E C 1.758 178.327 176.600 -0.052 0.000 0.979 488 E CA 0.759 57.148 56.400 -0.017 0.000 0.814 488 E CB 0.042 29.752 29.700 0.017 0.000 0.762 488 E HN 0.379 nan 8.360 nan 0.000 0.460 489 E N 0.325 120.498 120.200 -0.044 0.000 2.076 489 E HA -0.117 4.234 4.350 0.002 0.000 0.190 489 E C 2.225 178.772 176.600 -0.089 0.000 0.979 489 E CA 0.613 56.966 56.400 -0.078 0.000 0.807 489 E CB 0.026 29.710 29.700 -0.027 0.000 0.761 489 E HN 0.255 nan 8.360 nan 0.000 0.454 490 I N 0.754 121.260 120.570 -0.107 0.000 2.151 490 I HA -0.347 3.824 4.170 0.002 0.000 0.243 490 I C 2.596 178.717 176.117 0.007 0.000 1.080 490 I CA 1.371 62.571 61.300 -0.166 0.000 1.339 490 I CB -0.252 37.653 38.000 -0.159 0.000 1.039 490 I HN 0.055 nan 8.210 nan 0.000 0.409 491 R N -0.048 120.455 120.500 0.005 0.000 2.092 491 R HA -0.150 4.191 4.340 0.002 0.000 0.231 491 R C 2.266 178.562 176.300 -0.007 0.000 1.119 491 R CA 1.078 57.194 56.100 0.026 0.000 0.970 491 R CB -0.392 29.908 30.300 0.001 0.000 0.864 491 R HN 0.231 nan 8.270 nan 0.000 0.440 492 L N 0.454 121.632 121.223 -0.076 0.000 2.046 492 L HA -0.145 4.196 4.340 0.002 0.000 0.208 492 L C 2.274 179.124 176.870 -0.034 0.000 1.077 492 L CA 1.827 56.597 54.840 -0.117 0.000 0.747 492 L CB -0.753 41.109 42.059 -0.328 0.000 0.896 492 L HN 0.023 nan 8.230 nan 0.000 0.432 493 S N -0.744 114.962 115.700 0.011 0.000 2.348 493 S HA -0.239 4.231 4.470 0.002 0.000 0.221 493 S C 2.094 176.747 174.600 0.088 0.000 1.033 493 S CA 1.597 59.840 58.200 0.071 0.000 1.010 493 S CB -0.235 63.074 63.200 0.182 0.000 0.891 493 S HN 0.507 nan 8.310 nan 0.000 0.442 494 K N 0.340 120.848 120.400 0.179 0.000 2.089 494 K HA -0.203 4.118 4.320 0.002 0.000 0.210 494 K C 2.300 178.915 176.600 0.025 0.000 1.048 494 K CA 1.972 58.337 56.287 0.131 0.000 0.926 494 K CB -0.319 32.292 32.500 0.186 0.000 0.714 494 K HN 0.501 nan 8.250 nan 0.000 0.448 495 M N 0.646 120.243 119.600 -0.005 0.000 2.077 495 M HA -0.174 4.307 4.480 0.002 0.000 0.261 495 M C 2.040 178.324 176.300 -0.027 0.000 1.070 495 M CA 1.534 56.786 55.300 -0.080 0.000 1.125 495 M CB -0.005 32.554 32.600 -0.068 0.000 1.339 495 M HN -0.052 nan 8.290 nan 0.000 0.409 496 V N 1.383 121.312 119.914 0.024 0.000 2.252 496 V HA -0.362 3.759 4.120 0.002 0.000 0.249 496 V C 2.465 178.544 176.094 -0.026 0.000 1.056 496 V CA 2.373 64.662 62.300 -0.019 0.000 1.022 496 V CB -0.767 30.854 31.823 -0.337 0.000 0.641 496 V HN 0.582 nan 8.190 nan 0.000 0.445 497 M N -1.024 118.516 119.600 -0.100 0.000 2.065 497 M HA -0.198 4.282 4.480 0.002 0.000 0.259 497 M C 2.392 178.749 176.300 0.096 0.000 1.069 497 M CA 1.812 57.079 55.300 -0.055 0.000 1.110 497 M CB -0.693 31.845 32.600 -0.104 0.000 1.328 497 M HN 0.159 nan 8.290 nan 0.000 0.405 498 K N 0.423 120.858 120.400 0.059 0.000 2.015 498 K HA -0.167 4.154 4.320 0.002 0.000 0.216 498 K C 1.860 178.573 176.600 0.188 0.000 1.052 498 K CA 1.903 58.223 56.287 0.055 0.000 0.937 498 K CB -0.833 31.628 32.500 -0.064 0.000 0.719 498 K HN 0.347 nan 8.250 nan 0.000 0.446 499 F N -0.458 119.623 119.950 0.218 0.000 2.065 499 F HA -0.293 4.235 4.527 0.002 0.000 0.298 499 F C 2.653 178.661 175.800 0.347 0.000 1.112 499 F CA 0.886 59.081 58.000 0.326 0.000 1.212 499 F CB -0.268 39.058 39.000 0.544 0.000 0.975 499 F HN 0.271 nan 8.300 nan 0.000 0.476 500 W N 0.087 121.494 121.300 0.179 0.000 2.332 500 W HA -0.282 4.379 4.660 0.002 0.000 0.321 500 W C 2.693 179.220 176.519 0.013 0.000 1.219 500 W CA 0.899 58.257 57.345 0.021 0.000 1.277 500 W CB -0.834 28.575 29.460 -0.086 0.000 1.161 500 W HN 0.029 nan 8.180 nan 0.000 0.476 501 A N 0.929 123.885 122.820 0.226 0.000 1.903 501 A HA -0.299 4.021 4.320 0.002 0.000 0.219 501 A C 1.694 179.323 177.584 0.076 0.000 1.191 501 A CA 2.279 54.371 52.037 0.091 0.000 0.638 501 A CB -1.244 17.795 19.000 0.065 0.000 0.823 501 A HN 0.344 nan 8.150 nan 0.000 0.451 502 N N -1.234 117.537 118.700 0.118 0.000 2.149 502 N HA -0.154 4.587 4.740 0.002 0.000 0.188 502 N C 1.418 176.944 175.510 0.027 0.000 1.019 502 N CA 1.538 54.635 53.050 0.078 0.000 0.857 502 N CB -0.598 37.965 38.487 0.128 0.000 0.997 502 N HN 0.547 nan 8.380 nan 0.000 0.426 503 F N 1.713 121.585 119.950 -0.129 0.000 2.102 503 F HA -0.053 4.475 4.527 0.001 0.000 0.298 503 F C 2.241 177.942 175.800 -0.165 0.000 1.105 503 F CA 1.212 59.067 58.000 -0.241 0.000 1.239 503 F CB -0.528 38.230 39.000 -0.403 0.000 0.991 503 F HN 0.030 nan 8.300 nan 0.000 0.474 504 A N 0.187 122.958 122.820 -0.083 0.000 1.978 504 A HA -0.182 4.139 4.320 0.002 0.000 0.220 504 A C 2.354 179.855 177.584 -0.139 0.000 1.170 504 A CA 1.706 53.665 52.037 -0.129 0.000 0.636 504 A CB -0.621 18.333 19.000 -0.077 0.000 0.810 504 A HN 0.451 nan 8.150 nan 0.000 0.448 505 R N -0.899 119.536 120.500 -0.109 0.000 2.062 505 R HA 0.021 4.362 4.340 0.002 0.000 0.226 505 R C 0.806 177.030 176.300 -0.126 0.000 1.125 505 R CA 1.375 57.422 56.100 -0.089 0.000 0.966 505 R CB -0.068 30.207 30.300 -0.042 0.000 0.861 505 R HN 0.546 nan 8.270 nan 0.000 0.433 506 N N -1.507 117.094 118.700 -0.165 0.000 2.159 506 N HA 0.082 4.822 4.740 0.002 0.000 0.217 506 N C 0.441 175.794 175.510 -0.262 0.000 1.223 506 N CA 0.795 53.746 53.050 -0.164 0.000 0.896 506 N CB 1.951 40.385 38.487 -0.088 0.000 1.064 506 N HN 0.308 nan 8.380 nan 0.000 0.518 507 G N 1.866 110.349 108.800 -0.527 0.000 2.160 507 G HA2 -0.250 3.711 3.960 0.002 0.000 0.244 507 G HA3 -0.250 3.711 3.960 0.002 0.000 0.244 507 G C -0.274 174.364 174.900 -0.438 0.000 1.022 507 G CA 0.142 44.752 45.100 -0.818 0.000 0.741 507 G HN 0.451 nan 8.290 nan 0.000 0.508 508 N N -0.546 117.982 118.700 -0.287 0.000 2.578 508 N HA 0.352 5.093 4.740 0.002 0.000 0.282 508 N C -1.508 173.903 175.510 -0.165 0.000 1.119 508 N CA -1.193 51.731 53.050 -0.210 0.000 0.948 508 N CB 2.167 40.620 38.487 -0.056 0.000 1.546 508 N HN -0.060 nan 8.380 nan 0.000 0.525 509 P HA -0.085 nan 4.420 nan 0.000 0.221 509 P C -0.034 177.404 177.300 0.230 0.000 1.150 509 P CA 0.613 63.630 63.100 -0.139 0.000 0.800 509 P CB 0.317 31.570 31.700 -0.746 0.000 0.787 510 N N 0.743 119.523 118.700 0.134 0.000 2.344 510 N HA 0.231 4.972 4.740 0.002 0.000 0.236 510 N C 0.961 176.594 175.510 0.206 0.000 1.279 510 N CA 1.374 54.594 53.050 0.282 0.000 0.882 510 N CB 0.216 38.843 38.487 0.233 0.000 1.110 510 N HN 0.181 nan 8.380 nan 0.000 0.436 511 G N -0.518 108.398 108.800 0.193 0.000 2.387 511 G HA2 0.191 4.152 3.960 0.002 0.000 0.294 511 G HA3 0.191 4.152 3.960 0.002 0.000 0.294 511 G C -1.368 173.585 174.900 0.089 0.000 1.509 511 G CA -0.769 44.398 45.100 0.112 0.000 0.806 511 G HN 0.607 nan 8.290 nan 0.000 0.546 512 E N -0.743 119.493 120.200 0.060 0.000 2.383 512 E HA 0.465 4.816 4.350 0.002 0.000 0.264 512 E C 1.067 177.678 176.600 0.018 0.000 1.050 512 E CA 0.262 56.690 56.400 0.047 0.000 0.896 512 E CB 1.102 30.824 29.700 0.037 0.000 0.982 512 E HN 2.208 nan 8.360 nan 0.000 0.424 513 G N 2.089 110.898 108.800 0.015 0.000 2.157 513 G HA2 -0.243 3.718 3.960 0.002 0.000 0.248 513 G HA3 -0.243 3.718 3.960 0.002 0.000 0.248 513 G C -0.137 174.734 174.900 -0.047 0.000 0.979 513 G CA 0.308 45.402 45.100 -0.011 0.000 0.650 513 G HN 0.414 nan 8.290 nan 0.000 0.529 514 L N 0.036 121.236 121.223 -0.038 0.000 2.388 514 L HA 0.565 4.906 4.340 0.002 0.000 0.264 514 L C -1.852 175.070 176.870 0.086 0.000 0.998 514 L CA -2.415 52.358 54.840 -0.111 0.000 0.817 514 L CB 1.920 43.776 42.059 -0.339 0.000 1.338 514 L HN -0.120 nan 8.230 nan 0.000 0.414 515 P HA 0.005 nan 4.420 nan 0.000 0.273 515 P C -1.150 176.395 177.300 0.408 0.000 1.258 515 P CA -0.166 63.090 63.100 0.260 0.000 0.802 515 P CB 0.269 32.125 31.700 0.259 0.000 1.040 516 H N -0.370 118.851 119.070 0.252 0.000 2.527 516 H HA 0.310 4.866 4.556 0.001 0.000 0.321 516 H C -1.289 174.242 175.328 0.338 0.000 1.087 516 H CA -0.390 55.828 56.048 0.284 0.000 1.337 516 H CB 0.343 30.220 29.762 0.191 0.000 1.440 516 H HN 0.315 nan 8.280 nan 0.000 0.490 517 W N 9.649 130.748 121.300 -0.335 0.000 2.296 517 W HA 0.323 4.983 4.660 0.001 0.000 0.316 517 W C -2.838 173.498 176.519 -0.305 0.000 1.022 517 W CA -3.142 54.064 57.345 -0.232 0.000 1.324 517 W CB 0.951 30.271 29.460 -0.234 0.000 1.227 517 W HN 0.559 nan 8.180 nan 0.000 0.409 518 P HA 0.013 nan 4.420 nan 0.000 0.271 518 P C -0.145 177.351 177.300 0.327 0.000 1.216 518 P CA 0.308 63.534 63.100 0.210 0.000 0.771 518 P CB 1.311 33.125 31.700 0.190 0.000 0.864 519 E N 2.451 122.726 120.200 0.126 0.000 2.404 519 E HA -0.065 4.286 4.350 0.002 0.000 0.261 519 E C -0.907 175.634 176.600 -0.099 0.000 1.074 519 E CA -0.413 55.818 56.400 -0.281 0.000 0.917 519 E CB 0.212 29.758 29.700 -0.256 0.000 0.965 519 E HN 0.396 nan 8.360 nan 0.000 0.433 520 Y N 5.515 125.638 120.300 -0.294 0.000 2.632 520 Y HA 0.074 4.624 4.550 0.001 0.000 0.336 520 Y C -0.216 175.646 175.900 -0.064 0.000 1.237 520 Y CA -0.370 57.684 58.100 -0.076 0.000 1.595 520 Y CB -0.526 37.910 38.460 -0.040 0.000 1.508 520 Y HN 0.503 nan 8.280 nan 0.000 0.480 521 N N 0.293 118.895 118.700 -0.163 0.000 2.948 521 N HA 0.099 4.840 4.740 0.002 0.000 0.323 521 N C 0.785 176.182 175.510 -0.188 0.000 1.374 521 N CA -0.261 52.723 53.050 -0.110 0.000 0.765 521 N CB 0.125 38.576 38.487 -0.059 0.000 1.152 521 N HN 0.230 nan 8.380 nan 0.000 0.528 522 Q N -0.317 119.421 119.800 -0.103 0.000 2.170 522 Q HA -0.016 4.325 4.340 0.002 0.000 0.203 522 Q C 1.328 177.260 176.000 -0.114 0.000 0.976 522 Q CA 1.417 57.166 55.803 -0.091 0.000 0.858 522 Q CB -0.459 28.255 28.738 -0.041 0.000 0.907 522 Q HN 0.528 nan 8.270 nan 0.000 0.433 523 K N 0.954 121.291 120.400 -0.106 0.000 2.362 523 K HA -0.066 4.255 4.320 0.002 0.000 0.200 523 K C -0.021 176.496 176.600 -0.138 0.000 1.046 523 K CA 0.173 56.411 56.287 -0.082 0.000 0.952 523 K CB 0.125 32.601 32.500 -0.041 0.000 0.753 523 K HN 0.232 nan 8.250 nan 0.000 0.466 524 E N -0.468 119.539 120.200 -0.321 0.000 2.271 524 E HA -0.164 4.187 4.350 0.002 0.000 0.223 524 E C -0.175 176.302 176.600 -0.205 0.000 1.223 524 E CA 0.194 56.217 56.400 -0.627 0.000 0.704 524 E CB -1.783 27.656 29.700 -0.435 0.000 1.194 524 E HN 0.462 nan 8.360 nan 0.000 0.375 525 G N 0.909 109.658 108.800 -0.085 0.000 2.390 525 G HA2 0.449 4.410 3.960 0.002 0.000 0.270 525 G HA3 0.449 4.410 3.960 0.002 0.000 0.270 525 G C -0.319 174.776 174.900 0.325 0.000 1.211 525 G CA -0.175 44.984 45.100 0.097 0.000 0.842 525 G HN 0.303 nan 8.290 nan 0.000 0.519 526 Y N 0.326 120.728 120.300 0.170 0.000 2.705 526 Y HA 0.787 5.338 4.550 0.002 0.000 0.332 526 Y C -1.343 174.525 175.900 -0.054 0.000 1.157 526 Y CA -1.946 56.272 58.100 0.197 0.000 1.091 526 Y CB 1.823 40.415 38.460 0.220 0.000 1.301 526 Y HN 0.505 nan 8.280 nan 0.000 0.488 527 L N 2.286 123.417 121.223 -0.153 0.000 2.349 527 L HA 0.444 4.785 4.340 0.002 0.000 0.278 527 L C -1.093 175.685 176.870 -0.153 0.000 0.996 527 L CA -0.655 53.884 54.840 -0.502 0.000 0.825 527 L CB 1.827 43.057 42.059 -1.381 0.000 1.243 527 L HN 0.745 nan 8.230 nan 0.000 0.412 528 Q N 5.908 125.632 119.800 -0.126 0.000 2.295 528 Q HA 0.468 4.809 4.340 0.002 0.000 0.259 528 Q C -0.939 175.046 176.000 -0.025 0.000 0.976 528 Q CA 0.024 55.845 55.803 0.030 0.000 0.923 528 Q CB 1.630 30.373 28.738 0.008 0.000 1.185 528 Q HN 0.589 nan 8.270 nan 0.000 0.410 529 I N 1.362 121.948 120.570 0.026 0.000 2.493 529 I HA 0.744 4.915 4.170 0.002 0.000 0.298 529 I C 0.550 176.574 176.117 -0.156 0.000 0.998 529 I CA -0.462 60.829 61.300 -0.015 0.000 1.137 529 I CB 1.984 40.047 38.000 0.106 0.000 1.310 529 I HN 0.827 nan 8.210 nan 0.000 0.445 530 G N 2.810 111.510 108.800 -0.168 0.000 2.356 530 G HA2 0.244 4.205 3.960 0.002 0.000 0.266 530 G HA3 0.244 4.205 3.960 0.002 0.000 0.266 530 G C 0.326 175.150 174.900 -0.126 0.000 1.312 530 G CA -0.036 44.921 45.100 -0.239 0.000 0.922 530 G HN 0.668 nan 8.290 nan 0.000 0.480 531 A N -0.522 122.298 122.820 0.001 0.000 1.927 531 A HA -0.024 4.297 4.320 0.002 0.000 0.220 531 A C 1.141 178.723 177.584 -0.003 0.000 1.185 531 A CA 2.110 54.165 52.037 0.030 0.000 0.639 531 A CB -0.398 18.663 19.000 0.103 0.000 0.820 531 A HN 0.560 nan 8.150 nan 0.000 0.451 532 N N 0.347 119.044 118.700 -0.004 0.000 2.626 532 N HA 0.234 4.975 4.740 0.002 0.000 0.242 532 N C -1.472 174.031 175.510 -0.012 0.000 1.005 532 N CA 0.029 53.076 53.050 -0.005 0.000 0.905 532 N CB 1.129 39.616 38.487 -0.000 0.000 1.128 532 N HN 0.117 nan 8.380 nan 0.000 0.512 533 T N 3.495 118.047 114.554 -0.005 0.000 2.762 533 T HA 0.215 4.566 4.350 0.002 0.000 0.303 533 T C 0.050 174.753 174.700 0.004 0.000 0.977 533 T CA -0.469 61.631 62.100 0.001 0.000 0.961 533 T CB 0.523 69.416 68.868 0.043 0.000 0.944 533 T HN 0.420 nan 8.240 nan 0.000 0.481 534 Q N 1.929 121.709 119.800 -0.033 0.000 2.416 534 Q HA 0.733 5.073 4.340 0.002 0.000 0.281 534 Q C -1.002 174.928 176.000 -0.117 0.000 1.067 534 Q CA -1.157 54.622 55.803 -0.039 0.000 0.809 534 Q CB 1.732 30.456 28.738 -0.024 0.000 1.418 534 Q HN 0.486 nan 8.270 nan 0.000 0.411 535 A N 0.970 123.722 122.820 -0.112 0.000 2.366 535 A HA 0.781 5.102 4.320 0.002 0.000 0.250 535 A C -0.107 177.304 177.584 -0.288 0.000 1.099 535 A CA 0.632 52.545 52.037 -0.207 0.000 0.794 535 A CB 0.029 18.982 19.000 -0.080 0.000 1.056 535 A HN 1.301 nan 8.150 nan 0.000 0.499 536 A N -0.690 121.836 122.820 -0.491 0.000 2.588 536 A HA 0.716 5.036 4.320 0.002 0.000 0.309 536 A C -0.839 176.492 177.584 -0.422 0.000 1.173 536 A CA -0.449 51.284 52.037 -0.506 0.000 0.631 536 A CB 0.626 19.198 19.000 -0.713 0.000 1.364 536 A HN 0.850 nan 8.150 nan 0.000 0.526 537 Q N -0.663 119.073 119.800 -0.107 0.000 2.615 537 Q HA 0.513 4.854 4.340 0.002 0.000 0.298 537 Q C -1.316 174.934 176.000 0.416 0.000 1.023 537 Q CA -1.074 54.839 55.803 0.183 0.000 0.768 537 Q CB 1.866 30.645 28.738 0.068 0.000 1.500 537 Q HN 0.617 nan 8.270 nan 0.000 0.441 538 K N 1.115 121.671 120.400 0.260 0.000 3.834 538 K HA -0.227 4.094 4.320 0.002 0.000 0.276 538 K C -0.476 176.226 176.600 0.170 0.000 0.850 538 K CA 0.057 56.452 56.287 0.179 0.000 0.704 538 K CB -1.402 31.166 32.500 0.112 0.000 1.644 538 K HN 0.359 nan 8.250 nan 0.000 0.440 539 L N 1.710 122.960 121.223 0.046 0.000 2.540 539 L HA -0.052 4.289 4.340 0.002 0.000 0.276 539 L C 0.725 177.555 176.870 -0.067 0.000 1.212 539 L CA 0.719 55.390 54.840 -0.283 0.000 0.893 539 L CB 0.375 41.909 42.059 -0.875 0.000 1.138 539 L HN 0.363 nan 8.230 nan 0.000 0.491 540 K N 2.356 122.746 120.400 -0.016 0.000 3.185 540 K HA -0.325 3.996 4.320 0.002 0.000 0.298 540 K C 1.165 177.826 176.600 0.101 0.000 1.178 540 K CA 1.305 57.627 56.287 0.059 0.000 0.882 540 K CB -1.576 30.960 32.500 0.059 0.000 1.218 540 K HN 0.983 nan 8.250 nan 0.000 0.454 541 D N 1.149 121.603 120.400 0.091 0.000 2.157 541 D HA -0.219 4.422 4.640 0.002 0.000 0.191 541 D C 1.713 178.082 176.300 0.114 0.000 1.004 541 D CA 1.955 56.018 54.000 0.105 0.000 0.854 541 D CB 0.138 40.994 40.800 0.093 0.000 0.936 541 D HN 0.564 nan 8.370 nan 0.000 0.446 542 K N 0.095 120.553 120.400 0.098 0.000 2.057 542 K HA -0.198 4.123 4.320 0.002 0.000 0.207 542 K C 2.088 178.780 176.600 0.153 0.000 1.049 542 K CA 1.543 57.884 56.287 0.089 0.000 0.931 542 K CB 0.056 32.577 32.500 0.036 0.000 0.714 542 K HN 0.005 nan 8.250 nan 0.000 0.440 543 E N 0.147 120.470 120.200 0.205 0.000 2.106 543 E HA -0.125 4.226 4.350 0.002 0.000 0.192 543 E C 1.902 178.785 176.600 0.472 0.000 0.984 543 E CA 1.053 57.690 56.400 0.395 0.000 0.806 543 E CB -0.049 29.924 29.700 0.457 0.000 0.750 543 E HN 0.077 nan 8.360 nan 0.000 0.458 544 V N 1.191 121.287 119.914 0.304 0.000 2.287 544 V HA -0.303 3.818 4.120 0.002 0.000 0.248 544 V C 2.265 178.502 176.094 0.237 0.000 1.053 544 V CA 1.908 64.364 62.300 0.260 0.000 1.027 544 V CB -0.990 30.936 31.823 0.172 0.000 0.646 544 V HN 0.360 nan 8.190 nan 0.000 0.447 545 A N -0.156 122.779 122.820 0.192 0.000 1.883 545 A HA -0.241 4.080 4.320 0.002 0.000 0.217 545 A C 2.105 179.770 177.584 0.135 0.000 1.186 545 A CA 2.145 54.268 52.037 0.144 0.000 0.624 545 A CB -0.736 18.335 19.000 0.120 0.000 0.822 545 A HN 0.514 nan 8.150 nan 0.000 0.444 546 F N -0.603 119.353 119.950 0.010 0.000 2.010 546 F HA -0.212 4.316 4.527 0.002 0.000 0.296 546 F C 2.066 177.771 175.800 -0.159 0.000 1.146 546 F CA 1.887 59.810 58.000 -0.128 0.000 1.181 546 F CB -1.082 37.765 39.000 -0.255 0.000 0.965 546 F HN 0.379 nan 8.300 nan 0.000 0.480 547 W N 0.810 121.900 121.300 -0.350 0.000 2.304 547 W HA -0.245 4.416 4.660 0.001 0.000 0.315 547 W C 2.672 178.989 176.519 -0.336 0.000 1.233 547 W CA 2.147 59.162 57.345 -0.550 0.000 1.261 547 W CB -1.390 27.950 29.460 -0.200 0.000 1.150 547 W HN -0.010 nan 8.180 nan 0.000 0.494 548 T N 0.753 115.396 114.554 0.148 0.000 2.653 548 T HA -0.277 4.074 4.350 0.002 0.000 0.268 548 T C 1.417 176.157 174.700 0.068 0.000 1.035 548 T CA 1.928 64.123 62.100 0.158 0.000 1.154 548 T CB -0.522 68.422 68.868 0.126 0.000 0.862 548 T HN 0.226 nan 8.240 nan 0.000 0.441 549 N N 1.071 119.734 118.700 -0.061 0.000 2.173 549 N HA 0.009 4.750 4.740 0.002 0.000 0.184 549 N C 1.875 177.298 175.510 -0.145 0.000 1.025 549 N CA 0.561 53.564 53.050 -0.079 0.000 0.852 549 N CB -0.722 37.712 38.487 -0.089 0.000 0.998 549 N HN 0.217 nan 8.380 nan 0.000 0.427 550 L N 1.097 122.087 121.223 -0.389 0.000 2.021 550 L HA -0.089 4.252 4.340 0.002 0.000 0.215 550 L C 2.001 178.773 176.870 -0.162 0.000 1.074 550 L CA 1.531 56.108 54.840 -0.438 0.000 0.760 550 L CB -0.952 40.561 42.059 -0.910 0.000 0.889 550 L HN 0.051 nan 8.230 nan 0.000 0.433 551 F N -0.704 119.223 119.950 -0.038 0.000 2.234 551 F HA -0.125 4.403 4.527 0.001 0.000 0.299 551 F C 2.334 178.138 175.800 0.006 0.000 1.087 551 F CA 0.431 58.444 58.000 0.022 0.000 1.340 551 F CB -0.370 38.658 39.000 0.047 0.000 1.031 551 F HN 0.224 nan 8.300 nan 0.000 0.500 552 A N 0.027 122.950 122.820 0.172 0.000 2.248 552 A HA -0.015 4.306 4.320 0.002 0.000 0.210 552 A C 0.770 178.396 177.584 0.069 0.000 1.174 552 A CA 0.444 52.539 52.037 0.097 0.000 0.750 552 A CB -0.526 18.508 19.000 0.058 0.000 0.780 552 A HN 0.358 nan 8.150 nan 0.000 0.478 553 K N 0.000 120.443 120.400 0.072 0.000 2.780 553 K HA 0.000 4.321 4.320 0.002 0.000 0.191 553 K CA 0.000 56.316 56.287 0.048 0.000 0.838 553 K CB 0.000 32.537 32.500 0.062 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543