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 1tzl_1_G DATA FIRST_RESID 44 DATA SEQUENCE DIKYDVVIVG SGPIGCTYAR ELVGAGYKVA XFDIGEIDSG LKIGAHKKNT DATA SEQUENCE VEYQKNIDKF VNVIQGQLXS VSVPVNTLVV DTLSPTSWQA STFFVRNGSN DATA SEQUENCE PEQDPLRNLS GQAVTRVVGG XSTHWTCATP RFDREQRPLL VKDDADADDA DATA SEQUENCE EWDRLYTKAE SYFQTGTDQF KESIRHNLVL NKLAEEYKGQ RDFQQIPLAA DATA SEQUENCE TRRSPTFVEW SSANTVFDLQ NRPNTDAPEE RFNLFPAVAC ERVVRNALNS DATA SEQUENCE EIESLHIHDL ISGDRFEIKA DVYVLTAGAV HNTQLLVNSG FGQLGRPNPT DATA SEQUENCE NPPELLPSLG SYITEQSLVF CQTVXSTELI DSVKSDXTIR GTPGELTYSV DATA SEQUENCE TYTPGASTNK HPDWWNEKVK NHXXQHQEDP LPIPFEDPEP QVTTLFQPSH DATA SEQUENCE PWHTQIHRDA FSYGAVQQSI DSRLIVDWRF FGRTEPKEEN KLWFSDKITD DATA SEQUENCE AYNXPQPTFD FRFPAGRTSK EAEDXXTDXC VXSAKIGGFL PGSLPQFXEP DATA SEQUENCE GLVLHLGGTH RXGFDEKEDN CCVNTDSRVF GFKNLFLGGC GNIPTAYGAN DATA SEQUENCE PTLTAXSLAI KSCEYIKQNF TPSPFT 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 44 D HA 0.000 nan 4.640 nan 0.000 0.175 44 D C 0.000 176.155 176.300 -0.242 0.000 2.045 44 D CA 0.000 53.923 54.000 -0.129 0.000 0.868 44 D CB 0.000 40.607 40.800 -0.321 0.000 0.688 45 I N -0.720 119.695 120.570 -0.258 0.000 2.500 45 I HA -0.066 4.104 4.170 0.000 0.000 0.252 45 I C 0.929 176.893 176.117 -0.254 0.000 1.142 45 I CA 1.134 62.329 61.300 -0.175 0.000 1.451 45 I CB -0.426 37.516 38.000 -0.098 0.000 1.093 45 I HN 0.192 nan 8.210 nan 0.000 0.430 46 K N 0.631 120.726 120.400 -0.509 0.000 2.397 46 K HA 0.501 4.821 4.320 0.000 0.000 0.253 46 K C -1.704 174.477 176.600 -0.699 0.000 0.932 46 K CA -0.361 55.684 56.287 -0.403 0.000 0.795 46 K CB 1.543 33.921 32.500 -0.203 0.000 1.159 46 K HN -0.170 nan 8.250 nan 0.000 0.424 47 Y N 1.343 121.629 120.300 -0.023 0.000 2.576 47 Y HA 0.252 4.802 4.550 0.000 0.000 0.346 47 Y C 0.535 176.407 175.900 -0.047 0.000 1.018 47 Y CA -0.772 57.308 58.100 -0.034 0.000 1.050 47 Y CB 1.983 40.422 38.460 -0.034 0.000 1.280 47 Y HN 0.665 nan 8.280 nan 0.000 0.474 48 D N 0.389 120.885 120.400 0.160 0.000 2.084 48 D HA -0.006 4.635 4.640 0.000 0.000 0.196 48 D C -0.228 176.062 176.300 -0.016 0.000 0.985 48 D CA 1.558 55.627 54.000 0.114 0.000 0.826 48 D CB 0.145 41.093 40.800 0.246 0.000 0.978 48 D HN 0.132 nan 8.370 nan 0.000 0.456 49 V N 1.152 121.053 119.914 -0.021 0.000 2.531 49 V HA 0.333 4.453 4.120 0.000 0.000 0.301 49 V C -0.214 175.785 176.094 -0.159 0.000 1.034 49 V CA -0.836 61.361 62.300 -0.172 0.000 0.865 49 V CB 2.699 34.395 31.823 -0.212 0.000 0.995 49 V HN -0.226 nan 8.190 nan 0.000 0.424 50 V N 6.290 126.072 119.914 -0.219 0.000 2.398 50 V HA 0.531 4.651 4.120 0.000 0.000 0.286 50 V C -0.245 175.810 176.094 -0.066 0.000 1.026 50 V CA -0.316 61.922 62.300 -0.104 0.000 0.868 50 V CB 1.761 33.590 31.823 0.010 0.000 0.982 50 V HN 0.706 nan 8.190 nan 0.000 0.443 51 I N 5.604 126.154 120.570 -0.033 0.000 2.378 51 I HA 0.409 4.579 4.170 0.000 0.000 0.291 51 I C -0.464 175.693 176.117 0.067 0.000 0.992 51 I CA -0.830 60.443 61.300 -0.046 0.000 1.154 51 I CB 2.013 39.964 38.000 -0.081 0.000 1.315 51 I HN 0.219 nan 8.210 nan 0.000 0.448 52 V N 5.603 125.537 119.914 0.033 0.000 2.334 52 V HA 0.740 4.860 4.120 0.000 0.000 0.267 52 V C 0.497 176.604 176.094 0.022 0.000 1.040 52 V CA -0.268 62.068 62.300 0.060 0.000 0.866 52 V CB 0.361 32.192 31.823 0.013 0.000 1.019 52 V HN 1.075 nan 8.190 nan 0.000 0.468 53 G N 3.888 112.717 108.800 0.048 0.000 3.069 53 G HA2 -0.015 3.945 3.960 0.000 0.000 0.686 53 G HA3 -0.015 3.945 3.960 0.000 0.000 0.686 53 G C -0.066 174.855 174.900 0.035 0.000 1.161 53 G CA -0.274 44.845 45.100 0.032 0.000 0.804 53 G HN 1.226 nan 8.290 nan 0.000 0.608 54 S N 1.095 116.819 115.700 0.041 0.000 2.588 54 S HA 0.602 5.072 4.470 0.000 0.000 0.245 54 S C 1.336 175.953 174.600 0.028 0.000 1.021 54 S CA 0.686 58.917 58.200 0.052 0.000 1.006 54 S CB 0.621 63.865 63.200 0.075 0.000 0.830 54 S HN 1.911 nan 8.310 nan 0.000 0.468 55 G N 2.758 111.562 108.800 0.006 0.000 2.583 55 G HA2 0.355 4.316 3.960 0.000 0.000 0.275 55 G HA3 0.355 4.316 3.960 0.000 0.000 0.275 55 G C -1.143 173.732 174.900 -0.041 0.000 1.342 55 G CA -1.137 43.945 45.100 -0.030 0.000 1.030 55 G HN 0.270 nan 8.290 nan 0.000 0.520 56 P HA -0.055 nan 4.420 nan 0.000 0.220 56 P C 1.788 179.013 177.300 -0.125 0.000 1.148 56 P CA 0.723 63.752 63.100 -0.117 0.000 0.803 56 P CB 0.160 31.783 31.700 -0.128 0.000 0.782 57 I N 0.132 120.663 120.570 -0.065 0.000 2.286 57 I HA -0.044 4.126 4.170 0.000 0.000 0.245 57 I C 2.674 178.843 176.117 0.087 0.000 1.104 57 I CA 1.551 62.848 61.300 -0.005 0.000 1.397 57 I CB -2.305 35.720 38.000 0.041 0.000 1.072 57 I HN -0.001 nan 8.210 nan 0.000 0.417 58 G N 0.282 109.116 108.800 0.056 0.000 2.442 58 G HA2 -0.237 3.723 3.960 0.000 0.000 0.219 58 G HA3 -0.237 3.723 3.960 0.000 0.000 0.219 58 G C 1.746 176.657 174.900 0.018 0.000 1.141 58 G CA 1.013 46.145 45.100 0.054 0.000 0.763 58 G HN 0.418 nan 8.290 nan 0.000 0.554 59 C N 0.531 119.813 119.300 -0.029 0.000 2.448 59 C HA 0.063 4.523 4.460 0.000 0.000 0.280 59 C C 3.157 178.037 174.990 -0.183 0.000 1.398 59 C CA 1.266 60.228 59.018 -0.092 0.000 1.774 59 C CB -0.906 26.827 27.740 -0.011 0.000 1.888 59 C HN 0.438 nan 8.230 nan 0.000 0.519 60 T N 0.120 114.587 114.554 -0.145 0.000 2.737 60 T HA -0.143 4.207 4.350 0.000 0.000 0.265 60 T C 1.469 176.029 174.700 -0.234 0.000 1.038 60 T CA 1.560 63.549 62.100 -0.184 0.000 1.144 60 T CB -0.422 68.337 68.868 -0.181 0.000 0.866 60 T HN 0.538 nan 8.240 nan 0.000 0.434 61 Y N 1.570 121.746 120.300 -0.208 0.000 2.151 61 Y HA -0.133 4.417 4.550 0.000 0.000 0.284 61 Y C 2.747 178.443 175.900 -0.340 0.000 1.166 61 Y CA 1.118 59.071 58.100 -0.244 0.000 1.163 61 Y CB -0.664 37.666 38.460 -0.216 0.000 0.974 61 Y HN 0.209 nan 8.280 nan 0.000 0.511 62 A N -0.078 122.562 122.820 -0.300 0.000 1.898 62 A HA -0.176 4.144 4.320 0.000 0.000 0.216 62 A C 2.300 179.291 177.584 -0.988 0.000 1.181 62 A CA 1.496 53.106 52.037 -0.712 0.000 0.620 62 A CB -0.675 17.677 19.000 -1.079 0.000 0.819 62 A HN 0.418 nan 8.150 nan 0.000 0.442 63 R N -0.157 119.863 120.500 -0.802 0.000 2.080 63 R HA -0.168 4.172 4.340 0.000 0.000 0.236 63 R C 1.962 178.065 176.300 -0.329 0.000 1.137 63 R CA 1.821 57.611 56.100 -0.517 0.000 0.943 63 R CB -0.303 29.739 30.300 -0.430 0.000 0.846 63 R HN 0.562 nan 8.270 nan 0.000 0.431 64 E N 0.429 120.469 120.200 -0.266 0.000 2.077 64 E HA -0.182 4.168 4.350 0.000 0.000 0.193 64 E C 2.139 178.673 176.600 -0.111 0.000 0.989 64 E CA 1.268 57.582 56.400 -0.144 0.000 0.800 64 E CB -0.070 29.547 29.700 -0.139 0.000 0.746 64 E HN 0.433 nan 8.360 nan 0.000 0.452 65 L N 0.253 121.378 121.223 -0.163 0.000 2.249 65 L HA -0.048 4.292 4.340 0.000 0.000 0.207 65 L C 2.453 179.355 176.870 0.052 0.000 1.090 65 L CA 0.216 54.996 54.840 -0.099 0.000 0.802 65 L CB -0.079 41.831 42.059 -0.249 0.000 0.947 65 L HN -0.057 nan 8.230 nan 0.000 0.453 66 V N 0.256 120.119 119.914 -0.084 0.000 2.453 66 V HA -0.125 3.995 4.120 0.000 0.000 0.247 66 V C 2.626 178.755 176.094 0.059 0.000 1.048 66 V CA 1.824 64.126 62.300 0.004 0.000 1.049 66 V CB -1.085 30.672 31.823 -0.110 0.000 0.672 66 V HN 0.536 nan 8.190 nan 0.000 0.457 67 G N -0.003 108.803 108.800 0.011 0.000 2.442 67 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 67 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 67 G C 1.396 176.330 174.900 0.056 0.000 1.141 67 G CA 0.857 45.975 45.100 0.030 0.000 0.763 67 G HN 0.639 nan 8.290 nan 0.000 0.554 68 A N -0.251 122.628 122.820 0.099 0.000 2.327 68 A HA 0.498 4.818 4.320 0.000 0.000 0.228 68 A C 1.884 179.507 177.584 0.066 0.000 1.275 68 A CA 1.089 53.200 52.037 0.123 0.000 0.875 68 A CB -0.647 18.494 19.000 0.235 0.000 0.925 68 A HN 1.594 nan 8.150 nan 0.000 0.493 69 G N -1.925 106.920 108.800 0.074 0.000 2.159 69 G HA2 -0.306 3.654 3.960 0.000 0.000 0.256 69 G HA3 -0.306 3.654 3.960 0.000 0.000 0.256 69 G C 0.010 174.896 174.900 -0.023 0.000 0.977 69 G CA 0.322 45.434 45.100 0.020 0.000 0.652 69 G HN 0.461 nan 8.290 nan 0.000 0.531 70 Y N 0.341 120.671 120.300 0.049 0.000 2.397 70 Y HA 0.396 4.946 4.550 0.000 0.000 0.335 70 Y C 1.134 177.072 175.900 0.064 0.000 1.213 70 Y CA 0.200 58.326 58.100 0.044 0.000 1.391 70 Y CB 0.683 39.149 38.460 0.009 0.000 1.293 70 Y HN 0.110 nan 8.280 nan 0.000 0.557 71 K N 2.685 123.211 120.400 0.210 0.000 2.292 71 K HA 0.390 4.710 4.320 0.000 0.000 0.290 71 K C -1.565 175.159 176.600 0.206 0.000 1.083 71 K CA -0.155 56.241 56.287 0.182 0.000 0.918 71 K CB 0.015 32.595 32.500 0.134 0.000 1.089 71 K HN 0.480 nan 8.250 nan 0.000 0.473 72 V N 3.876 123.884 119.914 0.157 0.000 2.417 72 V HA 0.574 4.694 4.120 0.000 0.000 0.291 72 V C 0.021 175.989 176.094 -0.211 0.000 1.024 72 V CA -0.741 61.587 62.300 0.048 0.000 0.861 72 V CB 1.207 33.115 31.823 0.142 0.000 0.985 72 V HN 0.940 nan 8.190 nan 0.000 0.436 76 D N 2.853 123.347 120.400 0.158 0.000 2.646 76 D HA 0.381 5.022 4.640 0.000 0.000 0.245 76 D C 0.448 176.776 176.300 0.047 0.000 1.099 76 D CA -0.384 53.663 54.000 0.078 0.000 0.849 76 D CB 2.617 43.447 40.800 0.049 0.000 1.448 76 D HN 0.695 nan 8.370 nan 0.000 0.489 77 I N 2.049 122.602 120.570 -0.029 0.000 2.394 77 I HA 0.015 4.185 4.170 0.000 0.000 0.251 77 I C 1.256 177.335 176.117 -0.062 0.000 1.136 77 I CA 0.775 62.009 61.300 -0.109 0.000 1.425 77 I CB 0.132 37.957 38.000 -0.293 0.000 1.079 77 I HN 0.358 nan 8.210 nan 0.000 0.425 78 G N -0.116 108.670 108.800 -0.023 0.000 2.525 78 G HA2 0.350 4.310 3.960 0.000 0.000 0.287 78 G HA3 0.350 4.310 3.960 0.000 0.000 0.287 78 G C -0.781 174.141 174.900 0.037 0.000 1.350 78 G CA -0.392 44.720 45.100 0.020 0.000 1.039 78 G HN 0.298 nan 8.290 nan 0.000 0.513 79 E N -1.466 118.762 120.200 0.047 0.000 2.320 79 E HA 0.367 4.717 4.350 0.000 0.000 0.264 79 E C -0.600 176.028 176.600 0.046 0.000 0.923 79 E CA -0.767 55.661 56.400 0.047 0.000 0.796 79 E CB 2.583 32.313 29.700 0.050 0.000 1.262 79 E HN 0.262 nan 8.360 nan 0.000 0.428 80 I N 1.813 122.408 120.570 0.041 0.000 2.598 80 I HA -0.066 4.104 4.170 0.000 0.000 0.284 80 I C 0.496 176.644 176.117 0.052 0.000 1.140 80 I CA 0.833 62.158 61.300 0.043 0.000 1.420 80 I CB 0.284 38.303 38.000 0.032 0.000 1.387 80 I HN 0.577 nan 8.210 nan 0.000 0.553 81 D N 2.047 122.484 120.400 0.062 0.000 2.461 81 D HA 0.023 4.663 4.640 0.000 0.000 0.266 81 D C 0.728 177.082 176.300 0.090 0.000 1.085 81 D CA 0.461 54.504 54.000 0.073 0.000 0.887 81 D CB 0.556 41.402 40.800 0.076 0.000 1.309 81 D HN 0.461 nan 8.370 nan 0.000 0.498 82 S N 0.040 115.799 115.700 0.099 0.000 2.383 82 S HA 0.665 5.135 4.470 0.000 0.000 0.227 82 S C 0.722 175.396 174.600 0.123 0.000 1.261 82 S CA -0.037 58.240 58.200 0.129 0.000 1.262 82 S CB 0.590 63.881 63.200 0.152 0.000 0.992 82 S HN 0.388 nan 8.310 nan 0.000 0.491 83 G N 1.374 110.234 108.800 0.100 0.000 2.548 83 G HA2 -0.193 3.767 3.960 0.000 0.000 0.208 83 G HA3 -0.193 3.767 3.960 0.000 0.000 0.208 83 G C 0.132 175.070 174.900 0.064 0.000 1.308 83 G CA -0.325 44.827 45.100 0.087 0.000 0.924 83 G HN 0.499 nan 8.290 nan 0.000 0.540 84 L N 0.277 121.532 121.223 0.053 0.000 2.179 84 L HA 0.158 4.498 4.340 0.000 0.000 0.208 84 L C 1.571 178.458 176.870 0.028 0.000 1.096 84 L CA 0.949 55.809 54.840 0.033 0.000 0.779 84 L CB -0.289 41.784 42.059 0.023 0.000 0.922 84 L HN 0.352 nan 8.230 nan 0.000 0.443 85 K N 1.823 122.249 120.400 0.043 0.000 2.338 85 K HA 0.261 4.581 4.320 0.000 0.000 0.290 85 K C -0.365 176.261 176.600 0.044 0.000 1.069 85 K CA -0.032 56.277 56.287 0.037 0.000 0.941 85 K CB 0.587 33.123 32.500 0.058 0.000 1.023 85 K HN 0.092 nan 8.250 nan 0.000 0.477 86 I N 2.103 122.683 120.570 0.018 0.000 2.533 86 I HA 0.004 4.175 4.170 0.000 0.000 0.284 86 I C 1.335 177.476 176.117 0.040 0.000 1.109 86 I CA 0.496 61.812 61.300 0.026 0.000 1.412 86 I CB 0.609 38.614 38.000 0.008 0.000 1.396 86 I HN 0.951 nan 8.210 nan 0.000 0.543 87 G N 4.356 113.192 108.800 0.060 0.000 2.160 87 G HA2 -0.210 3.750 3.960 0.000 0.000 0.251 87 G HA3 -0.210 3.750 3.960 0.000 0.000 0.251 87 G C 0.322 175.282 174.900 0.101 0.000 1.008 87 G CA 0.118 45.260 45.100 0.070 0.000 0.724 87 G HN 0.963 nan 8.290 nan 0.000 0.514 88 A N -0.398 122.496 122.820 0.124 0.000 2.287 88 A HA 0.613 4.933 4.320 0.000 0.000 0.273 88 A C 0.602 178.330 177.584 0.240 0.000 1.091 88 A CA -0.321 51.828 52.037 0.188 0.000 0.817 88 A CB 0.298 19.407 19.000 0.181 0.000 1.069 88 A HN 0.624 nan 8.150 nan 0.000 0.492 89 H N 0.358 119.566 119.070 0.231 0.000 2.929 89 H HA 0.100 4.656 4.556 0.000 0.000 0.317 89 H C 0.641 176.108 175.328 0.232 0.000 1.031 89 H CA 0.722 56.924 56.048 0.256 0.000 1.466 89 H CB 0.844 30.779 29.762 0.287 0.000 1.482 89 H HN 0.682 nan 8.280 nan 0.000 0.561 90 K N 3.277 123.909 120.400 0.388 0.000 2.442 90 K HA -0.047 4.273 4.320 0.000 0.000 0.198 90 K C 1.861 178.718 176.600 0.428 0.000 1.042 90 K CA 0.504 57.042 56.287 0.418 0.000 0.958 90 K CB 0.360 33.087 32.500 0.377 0.000 0.766 90 K HN 0.448 nan 8.250 nan 0.000 0.474 91 K N 0.589 121.166 120.400 0.296 0.000 2.366 91 K HA 0.010 4.330 4.320 0.000 0.000 0.198 91 K C 0.158 176.791 176.600 0.056 0.000 1.044 91 K CA 0.476 56.604 56.287 -0.264 0.000 0.973 91 K CB 0.163 32.184 32.500 -0.798 0.000 0.767 91 K HN 0.119 nan 8.250 nan 0.000 0.475 92 N N 2.196 121.026 118.700 0.217 0.000 2.906 92 N HA -0.039 4.701 4.740 0.000 0.000 0.282 92 N C -0.338 175.453 175.510 0.468 0.000 1.293 92 N CA 0.380 53.604 53.050 0.289 0.000 1.059 92 N CB 0.133 38.824 38.487 0.341 0.000 1.388 92 N HN 0.206 nan 8.380 nan 0.000 0.533 93 T N -4.616 110.195 114.554 0.427 0.000 2.885 93 T HA 0.348 4.698 4.350 0.000 0.000 0.285 93 T C 1.387 176.337 174.700 0.417 0.000 1.019 93 T CA -0.822 61.514 62.100 0.392 0.000 1.010 93 T CB 1.662 70.710 68.868 0.300 0.000 1.022 93 T HN -0.177 nan 8.240 nan 0.000 0.466 94 V N 1.363 121.469 119.914 0.320 0.000 2.392 94 V HA -0.112 4.008 4.120 0.000 0.000 0.249 94 V C 2.784 178.962 176.094 0.141 0.000 1.059 94 V CA 2.349 64.800 62.300 0.253 0.000 1.051 94 V CB -0.992 30.892 31.823 0.102 0.000 0.658 94 V HN 1.041 nan 8.190 nan 0.000 0.455 95 E N -0.258 119.969 120.200 0.045 0.000 2.077 95 E HA -0.209 4.141 4.350 0.000 0.000 0.193 95 E C 1.998 178.538 176.600 -0.101 0.000 0.989 95 E CA 1.628 57.978 56.400 -0.082 0.000 0.800 95 E CB -0.341 29.239 29.700 -0.200 0.000 0.746 95 E HN 0.666 nan 8.360 nan 0.000 0.452 96 Y N 0.716 121.081 120.300 0.107 0.000 2.314 96 Y HA -0.004 4.546 4.550 0.000 0.000 0.293 96 Y C 2.059 177.971 175.900 0.020 0.000 1.129 96 Y CA 1.248 59.394 58.100 0.077 0.000 1.201 96 Y CB -0.076 38.442 38.460 0.096 0.000 0.999 96 Y HN 0.166 nan 8.280 nan 0.000 0.541 97 Q N -0.320 119.586 119.800 0.176 0.000 2.451 97 Q HA -0.065 4.275 4.340 0.000 0.000 0.206 97 Q C 1.374 177.432 176.000 0.097 0.000 0.947 97 Q CA 0.644 56.509 55.803 0.102 0.000 0.937 97 Q CB 0.061 28.822 28.738 0.038 0.000 1.025 97 Q HN 0.449 nan 8.270 nan 0.000 0.511 98 K N 0.147 120.599 120.400 0.088 0.000 2.361 98 K HA 0.109 4.429 4.320 0.000 0.000 0.194 98 K C 0.324 176.944 176.600 0.033 0.000 1.032 98 K CA 0.238 56.557 56.287 0.054 0.000 1.048 98 K CB 0.612 33.135 32.500 0.039 0.000 0.842 98 K HN 0.065 nan 8.250 nan 0.000 0.526 99 N N 1.026 119.752 118.700 0.044 0.000 2.672 99 N HA 0.062 4.802 4.740 0.000 0.000 0.295 99 N C 0.135 175.674 175.510 0.047 0.000 1.924 99 N CA 0.049 53.115 53.050 0.027 0.000 0.851 99 N CB 0.946 39.437 38.487 0.008 0.000 1.281 99 N HN -0.017 nan 8.380 nan 0.000 0.494 100 I N 2.123 122.691 120.570 -0.004 0.000 2.502 100 I HA -0.276 3.894 4.170 0.000 0.000 0.258 100 I C 1.945 177.822 176.117 -0.399 0.000 1.172 100 I CA 1.621 62.870 61.300 -0.085 0.000 1.430 100 I CB 0.050 38.015 38.000 -0.058 0.000 1.086 100 I HN 0.270 nan 8.210 nan 0.000 0.440 101 D N -0.212 119.851 120.400 -0.562 0.000 2.182 101 D HA -0.240 4.400 4.640 0.000 0.000 0.201 101 D C 1.711 177.770 176.300 -0.402 0.000 0.986 101 D CA 1.051 54.467 54.000 -0.974 0.000 0.847 101 D CB -0.492 40.097 40.800 -0.350 0.000 0.942 101 D HN 0.242 nan 8.370 nan 0.000 0.467 102 K N -0.203 120.148 120.400 -0.083 0.000 2.217 102 K HA 0.002 4.322 4.320 0.000 0.000 0.202 102 K C 1.805 178.475 176.600 0.117 0.000 1.051 102 K CA -0.006 56.337 56.287 0.094 0.000 0.952 102 K CB -0.798 31.840 32.500 0.231 0.000 0.736 102 K HN 0.203 nan 8.250 nan 0.000 0.453 103 F N 1.340 121.237 119.950 -0.088 0.000 2.202 103 F HA -0.191 4.336 4.527 0.000 0.000 0.301 103 F C 2.138 177.848 175.800 -0.150 0.000 1.082 103 F CA 0.702 58.549 58.000 -0.256 0.000 1.313 103 F CB -0.334 38.482 39.000 -0.305 0.000 1.024 103 F HN -0.197 nan 8.300 nan 0.000 0.495 104 V N 0.902 120.773 119.914 -0.072 0.000 2.527 104 V HA -0.353 3.767 4.120 0.000 0.000 0.255 104 V C 2.086 178.079 176.094 -0.167 0.000 1.081 104 V CA 2.588 64.842 62.300 -0.078 0.000 1.092 104 V CB -0.555 31.241 31.823 -0.045 0.000 0.673 104 V HN 0.435 nan 8.190 nan 0.000 0.470 105 N N -0.199 118.397 118.700 -0.173 0.000 2.216 105 N HA -0.087 4.653 4.740 0.000 0.000 0.183 105 N C 1.756 177.133 175.510 -0.222 0.000 1.017 105 N CA 1.650 54.615 53.050 -0.141 0.000 0.861 105 N CB -0.215 38.237 38.487 -0.059 0.000 0.986 105 N HN 0.479 nan 8.380 nan 0.000 0.428 106 V N 2.226 121.885 119.914 -0.426 0.000 2.287 106 V HA -0.206 3.914 4.120 0.000 0.000 0.248 106 V C 2.382 178.177 176.094 -0.498 0.000 1.053 106 V CA 1.300 63.274 62.300 -0.543 0.000 1.027 106 V CB -0.498 30.715 31.823 -1.017 0.000 0.646 106 V HN 0.169 nan 8.190 nan 0.000 0.447 107 I N -0.396 119.813 120.570 -0.603 0.000 2.118 107 I HA -0.293 3.877 4.170 0.000 0.000 0.241 107 I C 2.767 178.709 176.117 -0.292 0.000 1.070 107 I CA 1.554 62.560 61.300 -0.490 0.000 1.327 107 I CB -0.458 37.371 38.000 -0.286 0.000 1.034 107 I HN 0.303 nan 8.210 nan 0.000 0.405 108 Q N 0.403 120.114 119.800 -0.149 0.000 2.170 108 Q HA -0.113 4.227 4.340 0.000 0.000 0.203 108 Q C 2.309 178.266 176.000 -0.070 0.000 0.976 108 Q CA 1.631 57.397 55.803 -0.062 0.000 0.858 108 Q CB -0.716 28.005 28.738 -0.028 0.000 0.907 108 Q HN 0.626 nan 8.270 nan 0.000 0.433 109 G N 1.167 109.910 108.800 -0.095 0.000 2.509 109 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 109 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 109 G C 0.922 175.799 174.900 -0.038 0.000 1.124 109 G CA 0.713 45.778 45.100 -0.058 0.000 0.776 109 G HN 0.507 nan 8.290 nan 0.000 0.547 110 Q N -0.731 119.031 119.800 -0.063 0.000 2.155 110 Q HA 0.569 4.910 4.340 0.000 0.000 0.273 110 Q C -0.036 175.970 176.000 0.009 0.000 0.857 110 Q CA -0.325 55.475 55.803 -0.005 0.000 1.116 110 Q CB 0.242 29.002 28.738 0.036 0.000 1.209 110 Q HN 0.275 nan 8.270 nan 0.000 0.460 114 V N 1.656 121.618 119.914 0.080 0.000 2.307 114 V HA 0.073 4.193 4.120 0.000 0.000 0.245 114 V C 1.115 177.221 176.094 0.021 0.000 1.045 114 V CA 1.758 64.099 62.300 0.068 0.000 1.024 114 V CB 0.191 32.089 31.823 0.124 0.000 0.651 114 V HN 0.795 nan 8.190 nan 0.000 0.449 115 S N -0.587 115.144 115.700 0.052 0.000 2.750 115 S HA 0.513 4.984 4.470 0.000 0.000 0.276 115 S C -1.169 173.441 174.600 0.017 0.000 1.165 115 S CA -0.483 57.716 58.200 -0.003 0.000 1.047 115 S CB 1.468 64.640 63.200 -0.048 0.000 1.056 115 S HN -0.007 nan 8.310 nan 0.000 0.481 116 V N 7.683 127.594 119.914 -0.005 0.000 2.357 116 V HA 0.548 4.668 4.120 0.000 0.000 0.284 116 V C -2.023 174.060 176.094 -0.018 0.000 1.018 116 V CA -1.854 60.443 62.300 -0.005 0.000 0.841 116 V CB 1.480 33.301 31.823 -0.003 0.000 0.991 116 V HN 0.702 nan 8.190 nan 0.000 0.437 117 P HA 0.120 nan 4.420 nan 0.000 0.272 117 P C -0.058 177.221 177.300 -0.034 0.000 1.240 117 P CA -0.077 63.008 63.100 -0.025 0.000 0.791 117 P CB 0.703 32.388 31.700 -0.025 0.000 0.978 118 V N 2.339 122.234 119.914 -0.031 0.000 2.694 118 V HA -0.060 4.060 4.120 0.000 0.000 0.306 118 V C 1.244 177.286 176.094 -0.086 0.000 1.054 118 V CA 0.349 62.625 62.300 -0.041 0.000 1.161 118 V CB -0.652 31.168 31.823 -0.006 0.000 0.916 118 V HN 0.627 nan 8.190 nan 0.000 0.490 119 N N 3.537 122.180 118.700 -0.095 0.000 2.472 119 N HA 0.147 4.887 4.740 0.000 0.000 0.277 119 N C 0.513 175.862 175.510 -0.268 0.000 1.081 119 N CA 0.311 53.282 53.050 -0.132 0.000 0.973 119 N CB 1.667 40.108 38.487 -0.077 0.000 1.105 119 N HN 0.849 nan 8.380 nan 0.000 0.470 120 T N 0.807 115.088 114.554 -0.456 0.000 3.200 120 T HA 0.213 4.563 4.350 0.000 0.000 0.284 120 T C 0.509 174.794 174.700 -0.691 0.000 1.009 120 T CA -0.536 60.892 62.100 -1.120 0.000 0.907 120 T CB 0.010 68.298 68.868 -0.967 0.000 1.120 120 T HN 0.176 nan 8.240 nan 0.000 0.534 121 L N 2.492 123.567 121.223 -0.246 0.000 2.453 121 L HA 0.343 4.683 4.340 0.000 0.000 0.272 121 L C 0.300 177.236 176.870 0.110 0.000 1.182 121 L CA -0.162 54.642 54.840 -0.061 0.000 0.858 121 L CB 0.751 42.798 42.059 -0.020 0.000 1.120 121 L HN 0.160 nan 8.230 nan 0.000 0.474 122 V N 4.739 124.729 119.914 0.127 0.000 2.383 122 V HA 0.294 4.414 4.120 0.000 0.000 0.275 122 V C 0.200 176.359 176.094 0.109 0.000 1.036 122 V CA -0.559 61.858 62.300 0.195 0.000 0.889 122 V CB 1.836 33.755 31.823 0.160 0.000 0.985 122 V HN 0.458 nan 8.190 nan 0.000 0.459 123 V N 5.192 125.166 119.914 0.100 0.000 2.349 123 V HA 0.361 4.481 4.120 0.000 0.000 0.284 123 V C -0.009 176.109 176.094 0.039 0.000 1.014 123 V CA -0.506 61.830 62.300 0.060 0.000 0.826 123 V CB 1.497 33.356 31.823 0.060 0.000 1.009 123 V HN 1.058 nan 8.190 nan 0.000 0.431 124 D N 1.870 122.287 120.400 0.028 0.000 2.501 124 D HA 0.017 4.657 4.640 0.000 0.000 0.226 124 D C 1.160 177.465 176.300 0.008 0.000 1.198 124 D CA 0.254 54.261 54.000 0.012 0.000 0.830 124 D CB 0.428 41.234 40.800 0.011 0.000 1.014 124 D HN 0.551 nan 8.370 nan 0.000 0.496 125 T N -2.097 112.465 114.554 0.013 0.000 3.174 125 T HA 0.314 4.664 4.350 0.000 0.000 0.269 125 T C 0.723 175.431 174.700 0.014 0.000 1.017 125 T CA -0.532 61.575 62.100 0.012 0.000 0.899 125 T CB -0.226 68.650 68.868 0.014 0.000 1.077 125 T HN 0.002 nan 8.240 nan 0.000 0.552 126 L N 2.261 123.492 121.223 0.014 0.000 2.483 126 L HA 0.251 4.591 4.340 0.000 0.000 0.276 126 L C 1.103 177.980 176.870 0.012 0.000 1.213 126 L CA -0.385 54.466 54.840 0.018 0.000 0.843 126 L CB 0.292 42.363 42.059 0.020 0.000 1.107 126 L HN 0.220 nan 8.230 nan 0.000 0.487 127 S N 2.336 118.046 115.700 0.018 0.000 2.549 127 S HA 0.114 4.584 4.470 0.000 0.000 0.286 127 S C -1.437 173.167 174.600 0.007 0.000 1.314 127 S CA -1.089 57.119 58.200 0.014 0.000 1.062 127 S CB 0.711 63.923 63.200 0.021 0.000 0.865 127 S HN 0.406 nan 8.310 nan 0.000 0.498 128 P HA -0.028 nan 4.420 nan 0.000 0.224 128 P C 1.049 178.347 177.300 -0.004 0.000 1.142 128 P CA 0.894 63.988 63.100 -0.010 0.000 0.778 128 P CB 0.094 31.789 31.700 -0.009 0.000 0.764 129 T N -2.204 112.358 114.554 0.012 0.000 3.037 129 T HA 0.121 4.471 4.350 0.000 0.000 0.252 129 T C 0.828 175.557 174.700 0.048 0.000 1.073 129 T CA 0.211 62.326 62.100 0.025 0.000 1.091 129 T CB -0.169 68.715 68.868 0.026 0.000 0.935 129 T HN 0.018 nan 8.240 nan 0.000 0.488 130 S N 1.174 116.904 115.700 0.051 0.000 2.564 130 S HA 0.210 4.680 4.470 0.000 0.000 0.278 130 S C -0.679 173.990 174.600 0.115 0.000 1.333 130 S CA -0.726 57.529 58.200 0.093 0.000 1.048 130 S CB 0.318 63.567 63.200 0.082 0.000 0.900 130 S HN 0.515 nan 8.310 nan 0.000 0.505 131 W N 3.159 124.467 121.300 0.013 0.000 2.264 131 W HA 0.154 4.814 4.660 0.000 0.000 0.331 131 W C 0.226 176.760 176.519 0.025 0.000 1.364 131 W CA 0.342 57.695 57.345 0.013 0.000 1.253 131 W CB 0.196 29.663 29.460 0.012 0.000 1.215 131 W HN 0.486 nan 8.180 nan 0.000 0.561 132 Q N 4.683 124.059 119.800 -0.707 0.000 2.285 132 Q HA 0.523 4.863 4.340 0.000 0.000 0.269 132 Q C -0.505 174.867 176.000 -1.047 0.000 1.030 132 Q CA -0.739 54.720 55.803 -0.573 0.000 0.788 132 Q CB 1.933 30.487 28.738 -0.307 0.000 1.266 132 Q HN 0.606 nan 8.270 nan 0.000 0.438 133 A N 1.191 123.523 122.820 -0.814 0.000 2.313 133 A HA 0.331 4.651 4.320 0.000 0.000 0.261 133 A C 0.798 178.193 177.584 -0.315 0.000 1.090 133 A CA 0.164 51.866 52.037 -0.559 0.000 0.807 133 A CB 0.487 19.532 19.000 0.076 0.000 1.055 133 A HN 0.816 nan 8.150 nan 0.000 0.492 134 S N -1.047 114.514 115.700 -0.232 0.000 2.540 134 S HA 0.274 4.744 4.470 0.000 0.000 0.218 134 S C 0.524 175.023 174.600 -0.168 0.000 0.977 134 S CA 0.559 58.641 58.200 -0.197 0.000 0.918 134 S CB -0.648 62.457 63.200 -0.159 0.000 0.806 134 S HN 1.429 nan 8.310 nan 0.000 0.496 135 T N -1.712 112.780 114.554 -0.104 0.000 2.865 135 T HA 0.668 5.018 4.350 0.000 0.000 0.294 135 T C -0.860 173.781 174.700 -0.099 0.000 1.119 135 T CA -0.931 61.111 62.100 -0.096 0.000 1.007 135 T CB 0.552 69.462 68.868 0.069 0.000 1.225 135 T HN 0.065 nan 8.240 nan 0.000 0.515 136 F N 2.790 122.811 119.950 0.118 0.000 2.605 136 F HA 0.360 4.887 4.527 0.000 0.000 0.352 136 F C 0.456 176.290 175.800 0.057 0.000 1.236 136 F CA -1.284 56.737 58.000 0.036 0.000 1.267 136 F CB -0.573 38.426 39.000 -0.001 0.000 1.632 136 F HN 0.526 nan 8.300 nan 0.000 0.639 137 F N -0.733 119.317 119.950 0.166 0.000 2.375 137 F HA 0.570 5.097 4.527 0.000 0.000 0.313 137 F C -0.075 175.801 175.800 0.127 0.000 1.176 137 F CA -1.514 56.564 58.000 0.130 0.000 1.142 137 F CB -0.066 39.001 39.000 0.111 0.000 1.275 137 F HN -0.202 nan 8.300 nan 0.000 0.544 138 V N 3.632 123.685 119.914 0.231 0.000 2.425 138 V HA 0.221 4.341 4.120 0.000 0.000 0.276 138 V C 0.272 176.401 176.094 0.060 0.000 1.017 138 V CA -0.191 62.170 62.300 0.100 0.000 1.062 138 V CB -0.979 30.926 31.823 0.136 0.000 0.997 138 V HN 0.879 nan 8.190 nan 0.000 0.476 139 R N 3.593 124.033 120.500 -0.099 0.000 2.817 139 R HA 0.483 4.823 4.340 0.000 0.000 0.268 139 R C -0.270 176.008 176.300 -0.036 0.000 1.027 139 R CA -0.958 55.100 56.100 -0.069 0.000 0.928 139 R CB 0.824 30.969 30.300 -0.258 0.000 1.228 139 R HN 0.459 nan 8.270 nan 0.000 0.469 140 N N -0.347 118.353 118.700 -0.001 0.000 2.721 140 N HA -0.207 4.533 4.740 0.000 0.000 0.249 140 N C 0.732 176.243 175.510 0.002 0.000 1.072 140 N CA 1.796 54.846 53.050 0.001 0.000 0.710 140 N CB -1.293 37.189 38.487 -0.010 0.000 0.993 140 N HN 1.130 nan 8.380 nan 0.000 0.547 141 G N -2.341 106.465 108.800 0.009 0.000 2.143 141 G HA2 -0.321 3.639 3.960 0.000 0.000 0.249 141 G HA3 -0.321 3.639 3.960 0.000 0.000 0.249 141 G C 0.227 175.130 174.900 0.005 0.000 0.981 141 G CA 0.451 45.557 45.100 0.010 0.000 0.665 141 G HN 0.548 nan 8.290 nan 0.000 0.528 142 S N -0.210 115.488 115.700 -0.002 0.000 2.593 142 S HA 0.443 4.914 4.470 0.000 0.000 0.269 142 S C 0.387 174.984 174.600 -0.006 0.000 1.334 142 S CA -0.035 58.159 58.200 -0.010 0.000 1.015 142 S CB 1.055 64.243 63.200 -0.021 0.000 0.912 142 S HN 0.568 nan 8.310 nan 0.000 0.541 143 N N 2.126 120.815 118.700 -0.019 0.000 2.501 143 N HA 0.330 5.070 4.740 0.000 0.000 0.245 143 N C -1.840 173.658 175.510 -0.021 0.000 0.974 143 N CA -2.294 50.736 53.050 -0.033 0.000 0.941 143 N CB 1.269 39.708 38.487 -0.080 0.000 1.122 143 N HN 0.167 nan 8.380 nan 0.000 0.507 144 P HA -0.046 nan 4.420 nan 0.000 0.230 144 P C 0.256 177.580 177.300 0.040 0.000 1.158 144 P CA 0.855 63.974 63.100 0.032 0.000 0.769 144 P CB 0.559 32.293 31.700 0.056 0.000 0.807 145 E N -0.218 119.992 120.200 0.016 0.000 2.285 145 E HA -0.085 4.265 4.350 0.000 0.000 0.194 145 E C 0.882 177.498 176.600 0.028 0.000 0.997 145 E CA 0.521 56.950 56.400 0.049 0.000 0.845 145 E CB -0.094 29.588 29.700 -0.030 0.000 0.782 145 E HN 0.284 nan 8.360 nan 0.000 0.491 146 Q N 2.297 122.078 119.800 -0.032 0.000 2.307 146 Q HA 0.023 4.363 4.340 0.000 0.000 0.259 146 Q C -0.840 175.173 176.000 0.023 0.000 0.998 146 Q CA -0.149 55.636 55.803 -0.029 0.000 0.923 146 Q CB 0.718 29.424 28.738 -0.054 0.000 1.196 146 Q HN -0.183 nan 8.270 nan 0.000 0.416 147 D N 6.190 126.623 120.400 0.055 0.000 2.358 147 D HA 0.053 4.693 4.640 0.000 0.000 0.258 147 D C -1.685 174.634 176.300 0.032 0.000 1.223 147 D CA -1.865 52.165 54.000 0.050 0.000 0.886 147 D CB 1.256 42.098 40.800 0.069 0.000 1.120 147 D HN 0.422 nan 8.370 nan 0.000 0.482 148 P HA -0.105 nan 4.420 nan 0.000 0.220 148 P C 1.369 178.673 177.300 0.006 0.000 1.148 148 P CA 0.751 63.851 63.100 0.001 0.000 0.803 148 P CB 0.298 31.986 31.700 -0.020 0.000 0.782 149 L N -1.183 120.046 121.223 0.010 0.000 2.591 149 L HA 0.122 4.462 4.340 0.000 0.000 0.228 149 L C 1.530 178.412 176.870 0.020 0.000 1.133 149 L CA 0.403 55.249 54.840 0.010 0.000 0.880 149 L CB -0.347 41.715 42.059 0.004 0.000 1.033 149 L HN -0.123 nan 8.230 nan 0.000 0.450 150 R N -0.375 120.146 120.500 0.035 0.000 2.661 150 R HA 0.206 4.546 4.340 0.000 0.000 0.429 150 R C -0.388 175.964 176.300 0.088 0.000 1.044 150 R CA -0.269 55.863 56.100 0.054 0.000 1.065 150 R CB 0.288 30.623 30.300 0.059 0.000 1.377 150 R HN 0.051 nan 8.270 nan 0.000 0.600 151 N N 0.647 119.377 118.700 0.050 0.000 2.459 151 N HA 0.357 5.098 4.740 0.000 0.000 0.288 151 N C -0.669 174.762 175.510 -0.131 0.000 1.186 151 N CA -0.607 52.458 53.050 0.026 0.000 0.917 151 N CB 1.193 39.693 38.487 0.022 0.000 1.219 151 N HN 0.080 nan 8.380 nan 0.000 0.525 152 L N 2.075 123.061 121.223 -0.395 0.000 2.494 152 L HA 0.209 4.550 4.340 0.000 0.000 0.251 152 L C 1.421 178.101 176.870 -0.317 0.000 1.119 152 L CA -0.277 54.200 54.840 -0.606 0.000 1.026 152 L CB 0.395 41.657 42.059 -1.328 0.000 1.370 152 L HN 0.652 nan 8.230 nan 0.000 0.426 153 S N -0.258 115.356 115.700 -0.143 0.000 2.423 153 S HA -0.098 4.372 4.470 0.000 0.000 0.231 153 S C 1.765 176.336 174.600 -0.050 0.000 1.014 153 S CA 0.951 59.118 58.200 -0.056 0.000 0.965 153 S CB -0.097 63.087 63.200 -0.027 0.000 0.785 153 S HN 0.621 nan 8.310 nan 0.000 0.495 154 G N 0.420 109.174 108.800 -0.078 0.000 2.712 154 G HA2 0.097 4.057 3.960 0.000 0.000 0.212 154 G HA3 0.097 4.057 3.960 0.000 0.000 0.212 154 G C 0.577 175.432 174.900 -0.075 0.000 1.142 154 G CA -0.293 44.772 45.100 -0.058 0.000 0.789 154 G HN 0.380 nan 8.290 nan 0.000 0.535 155 Q N 0.651 120.377 119.800 -0.122 0.000 2.300 155 Q HA 0.471 4.811 4.340 0.000 0.000 0.280 155 Q C -0.122 175.888 176.000 0.016 0.000 1.033 155 Q CA 0.365 56.121 55.803 -0.079 0.000 0.903 155 Q CB 1.283 29.934 28.738 -0.145 0.000 1.195 155 Q HN 0.301 nan 8.270 nan 0.000 0.386 156 A N 2.072 124.908 122.820 0.026 0.000 2.606 156 A HA 0.707 5.027 4.320 0.000 0.000 0.293 156 A C -0.963 176.659 177.584 0.064 0.000 1.082 156 A CA -0.534 51.530 52.037 0.046 0.000 0.685 156 A CB 1.303 20.319 19.000 0.027 0.000 1.284 156 A HN 0.481 nan 8.150 nan 0.000 0.408 157 V N -1.889 118.079 119.914 0.090 0.000 3.074 157 V HA 0.968 5.088 4.120 0.000 0.000 0.314 157 V C -0.436 175.742 176.094 0.140 0.000 1.117 157 V CA -0.573 61.798 62.300 0.119 0.000 1.014 157 V CB 1.694 33.609 31.823 0.153 0.000 1.057 157 V HN 0.919 nan 8.190 nan 0.000 0.438 158 T N 2.230 116.872 114.554 0.147 0.000 2.809 158 T HA 0.558 4.908 4.350 0.000 0.000 0.284 158 T C -0.316 174.449 174.700 0.109 0.000 0.992 158 T CA -0.420 61.763 62.100 0.138 0.000 0.957 158 T CB 1.088 70.061 68.868 0.173 0.000 0.942 158 T HN 0.753 nan 8.240 nan 0.000 0.439 159 R N 2.724 123.280 120.500 0.093 0.000 2.575 159 R HA 0.561 4.901 4.340 0.000 0.000 0.281 159 R C -0.556 175.776 176.300 0.052 0.000 1.272 159 R CA -0.484 55.647 56.100 0.052 0.000 1.417 159 R CB 0.489 30.803 30.300 0.024 0.000 1.121 159 R HN 0.509 nan 8.270 nan 0.000 0.583 160 V N -2.034 117.910 119.914 0.050 0.000 3.114 160 V HA 0.468 4.589 4.120 0.000 0.000 0.308 160 V C 0.192 176.310 176.094 0.041 0.000 1.168 160 V CA -1.234 61.096 62.300 0.050 0.000 1.015 160 V CB 1.929 33.789 31.823 0.062 0.000 1.050 160 V HN 0.048 nan 8.190 nan 0.000 0.433 161 V N 2.733 122.673 119.914 0.043 0.000 2.540 161 V HA 0.488 4.608 4.120 0.000 0.000 0.297 161 V C 1.645 177.764 176.094 0.041 0.000 1.024 161 V CA 1.939 64.265 62.300 0.043 0.000 1.105 161 V CB -0.072 31.779 31.823 0.046 0.000 0.938 161 V HN 1.916 nan 8.190 nan 0.000 0.482 162 G N 3.271 112.090 108.800 0.032 0.000 2.232 162 G HA2 0.058 4.018 3.960 0.000 0.000 0.226 162 G HA3 0.058 4.018 3.960 0.000 0.000 0.226 162 G C 0.906 175.787 174.900 -0.031 0.000 0.996 162 G CA 0.059 45.167 45.100 0.013 0.000 0.626 162 G HN 2.247 nan 8.290 nan 0.000 0.509 166 T N 0.299 114.746 114.554 -0.178 0.000 3.118 166 T HA 0.143 4.493 4.350 0.000 0.000 0.260 166 T C 1.247 175.794 174.700 -0.254 0.000 1.139 166 T CA 1.131 63.157 62.100 -0.122 0.000 1.085 166 T CB -0.810 68.067 68.868 0.014 0.000 0.934 166 T HN 0.883 nan 8.240 nan 0.000 0.518 167 H N -2.073 116.887 119.070 -0.182 0.000 3.787 167 H HA 0.188 4.744 4.556 0.000 0.000 0.262 167 H C 0.578 176.041 175.328 0.224 0.000 1.181 167 H CA -0.979 55.071 56.048 0.004 0.000 1.159 167 H CB -0.490 29.315 29.762 0.071 0.000 1.563 167 H HN 0.456 nan 8.280 nan 0.000 0.699 168 W N 2.819 124.015 121.300 -0.174 0.000 1.979 168 W HA 0.267 4.927 4.660 0.000 0.000 0.359 168 W C 0.029 176.647 176.519 0.166 0.000 1.354 168 W CA 0.062 57.435 57.345 0.047 0.000 1.359 168 W CB -0.324 29.107 29.460 -0.050 0.000 1.248 168 W HN -0.168 nan 8.180 nan 0.000 0.641 169 T N 0.824 115.371 114.554 -0.011 0.000 3.088 169 T HA 0.008 4.358 4.350 0.000 0.000 0.259 169 T C 1.076 175.390 174.700 -0.642 0.000 1.122 169 T CA 1.081 63.016 62.100 -0.275 0.000 1.095 169 T CB -0.554 68.303 68.868 -0.018 0.000 0.930 169 T HN 0.644 nan 8.240 nan 0.000 0.508 170 C N 0.973 119.473 119.300 -1.333 0.000 4.497 170 C HA -0.135 4.325 4.460 0.000 0.000 0.268 170 C C 1.189 175.702 174.990 -0.794 0.000 1.343 170 C CA -0.784 57.189 59.018 -1.741 0.000 1.742 170 C CB -2.774 24.438 27.740 -0.880 0.000 1.450 170 C HN 0.761 nan 8.230 nan 0.000 0.733 171 A N 1.235 123.804 122.820 -0.418 0.000 2.444 171 A HA 0.504 4.824 4.320 0.000 0.000 0.273 171 A C 0.836 178.347 177.584 -0.122 0.000 1.136 171 A CA 1.252 53.184 52.037 -0.173 0.000 0.799 171 A CB 0.125 19.081 19.000 -0.072 0.000 1.081 171 A HN 1.356 nan 8.150 nan 0.000 0.509 172 T N 1.787 116.283 114.554 -0.097 0.000 3.466 172 T HA 0.502 4.852 4.350 0.000 0.000 0.297 172 T C -2.631 172.029 174.700 -0.066 0.000 1.640 172 T CA -1.429 60.647 62.100 -0.038 0.000 1.631 172 T CB 0.492 69.364 68.868 0.007 0.000 0.928 172 T HN 0.481 nan 8.240 nan 0.000 0.688 173 P HA 0.387 nan 4.420 nan 0.000 0.277 173 P C -0.260 176.907 177.300 -0.222 0.000 1.240 173 P CA -0.665 62.347 63.100 -0.146 0.000 0.798 173 P CB 1.222 32.822 31.700 -0.165 0.000 0.979 174 R N 0.991 121.279 120.500 -0.353 0.000 2.531 174 R HA 0.391 4.731 4.340 0.000 0.000 0.273 174 R C 0.073 176.248 176.300 -0.210 0.000 1.070 174 R CA -0.474 55.210 56.100 -0.693 0.000 1.112 174 R CB 0.200 29.957 30.300 -0.904 0.000 1.049 174 R HN 0.378 nan 8.270 nan 0.000 0.508 175 F N 2.035 121.746 119.950 -0.399 0.000 2.412 175 F HA 0.050 4.577 4.527 0.000 0.000 0.348 175 F C 0.981 176.589 175.800 -0.320 0.000 1.102 175 F CA -1.382 56.412 58.000 -0.343 0.000 1.196 175 F CB 0.310 39.095 39.000 -0.359 0.000 1.144 175 F HN 0.542 nan 8.300 nan 0.000 0.541 176 D N 2.131 122.453 120.400 -0.129 0.000 2.423 176 D HA 0.197 4.837 4.640 0.000 0.000 0.255 176 D C 1.165 177.382 176.300 -0.138 0.000 1.174 176 D CA -0.541 53.390 54.000 -0.116 0.000 1.008 176 D CB 0.546 41.301 40.800 -0.076 0.000 1.101 176 D HN 0.420 nan 8.370 nan 0.000 0.516 177 R N -0.429 120.019 120.500 -0.085 0.000 2.133 177 R HA -0.276 4.064 4.340 0.000 0.000 0.245 177 R C 1.897 178.155 176.300 -0.070 0.000 1.137 177 R CA 2.395 58.458 56.100 -0.062 0.000 0.947 177 R CB -0.385 29.911 30.300 -0.007 0.000 0.865 177 R HN 0.687 nan 8.270 nan 0.000 0.437 178 E N 0.410 120.569 120.200 -0.067 0.000 2.265 178 E HA -0.203 4.147 4.350 0.000 0.000 0.196 178 E C 1.553 178.058 176.600 -0.158 0.000 0.996 178 E CA 1.357 57.724 56.400 -0.056 0.000 0.832 178 E CB 0.167 29.888 29.700 0.034 0.000 0.756 178 E HN 0.400 nan 8.360 nan 0.000 0.491 179 Q N -0.470 119.145 119.800 -0.308 0.000 2.396 179 Q HA 0.098 4.438 4.340 0.000 0.000 0.209 179 Q C 0.068 175.962 176.000 -0.177 0.000 0.906 179 Q CA 0.098 55.640 55.803 -0.435 0.000 0.927 179 Q CB 0.551 28.739 28.738 -0.917 0.000 1.069 179 Q HN 0.182 nan 8.270 nan 0.000 0.523 180 R N 1.015 121.457 120.500 -0.097 0.000 2.787 180 R HA 0.526 4.866 4.340 0.000 0.000 0.271 180 R C -2.701 173.613 176.300 0.023 0.000 0.993 180 R CA -2.089 53.985 56.100 -0.043 0.000 0.993 180 R CB 0.061 30.116 30.300 -0.409 0.000 1.155 180 R HN -0.258 nan 8.270 nan 0.000 0.486 181 P HA 0.030 nan 4.420 nan 0.000 0.275 181 P C -0.725 176.760 177.300 0.309 0.000 1.228 181 P CA -0.520 62.684 63.100 0.174 0.000 0.786 181 P CB 0.596 32.394 31.700 0.164 0.000 0.927 182 L N 2.754 124.113 121.223 0.226 0.000 2.410 182 L HA 0.081 4.421 4.340 0.000 0.000 0.273 182 L C 1.517 178.530 176.870 0.238 0.000 1.152 182 L CA 0.423 55.452 54.840 0.316 0.000 0.855 182 L CB -0.253 42.034 42.059 0.381 0.000 1.129 182 L HN 0.386 nan 8.230 nan 0.000 0.463 183 L N 3.805 125.182 121.223 0.256 0.000 2.515 183 L HA 0.220 4.560 4.340 0.000 0.000 0.223 183 L C -0.277 176.753 176.870 0.267 0.000 1.079 183 L CA 0.168 55.052 54.840 0.074 0.000 0.857 183 L CB 0.346 42.224 42.059 -0.301 0.000 1.050 183 L HN 0.303 nan 8.230 nan 0.000 0.476 184 V N 0.187 120.272 119.914 0.286 0.000 2.525 184 V HA 0.233 4.353 4.120 0.000 0.000 0.299 184 V C -0.057 176.114 176.094 0.127 0.000 1.034 184 V CA -1.144 61.262 62.300 0.176 0.000 0.863 184 V CB 1.850 33.721 31.823 0.080 0.000 0.999 184 V HN 0.048 nan 8.190 nan 0.000 0.423 185 K N 3.346 123.692 120.400 -0.090 0.000 2.451 185 K HA 0.058 4.378 4.320 0.000 0.000 0.280 185 K C 0.289 176.850 176.600 -0.064 0.000 1.020 185 K CA 0.413 56.584 56.287 -0.194 0.000 1.008 185 K CB 0.166 32.393 32.500 -0.455 0.000 0.917 185 K HN 0.888 nan 8.250 nan 0.000 0.478 186 D N 1.955 122.345 120.400 -0.015 0.000 2.737 186 D HA -0.230 4.410 4.640 0.000 0.000 0.233 186 D C -0.434 175.873 176.300 0.012 0.000 1.155 186 D CA 1.043 55.044 54.000 0.001 0.000 0.667 186 D CB -0.606 40.183 40.800 -0.018 0.000 1.060 186 D HN 0.577 nan 8.370 nan 0.000 0.427 187 D N -0.920 119.499 120.400 0.031 0.000 2.381 187 D HA 0.393 5.033 4.640 0.000 0.000 0.245 187 D C 1.052 177.388 176.300 0.060 0.000 1.297 187 D CA 0.040 54.062 54.000 0.036 0.000 0.931 187 D CB 0.769 41.584 40.800 0.025 0.000 1.334 187 D HN 0.018 nan 8.370 nan 0.000 0.535 188 A N 2.552 125.409 122.820 0.063 0.000 1.940 188 A HA -0.201 4.119 4.320 0.000 0.000 0.219 188 A C 1.650 179.283 177.584 0.082 0.000 1.176 188 A CA 1.417 53.501 52.037 0.079 0.000 0.631 188 A CB 0.030 19.070 19.000 0.065 0.000 0.814 188 A HN 0.438 nan 8.150 nan 0.000 0.446 189 D N -0.031 120.407 120.400 0.062 0.000 2.117 189 D HA -0.019 4.621 4.640 0.000 0.000 0.198 189 D C 2.309 178.647 176.300 0.063 0.000 0.982 189 D CA 1.461 55.496 54.000 0.059 0.000 0.828 189 D CB -0.497 40.328 40.800 0.042 0.000 0.967 189 D HN 0.421 nan 8.370 nan 0.000 0.464 190 A N 1.092 123.945 122.820 0.054 0.000 1.883 190 A HA -0.242 4.078 4.320 0.000 0.000 0.217 190 A C 1.994 179.618 177.584 0.067 0.000 1.186 190 A CA 2.187 54.252 52.037 0.048 0.000 0.624 190 A CB -0.816 18.205 19.000 0.034 0.000 0.822 190 A HN 0.183 nan 8.150 nan 0.000 0.444 191 D N -0.323 120.139 120.400 0.103 0.000 2.116 191 D HA -0.188 4.452 4.640 0.000 0.000 0.193 191 D C 1.331 177.781 176.300 0.250 0.000 0.998 191 D CA 1.789 55.892 54.000 0.171 0.000 0.836 191 D CB -0.160 40.774 40.800 0.222 0.000 0.951 191 D HN 0.392 nan 8.370 nan 0.000 0.449 192 D N -0.476 120.048 120.400 0.206 0.000 2.097 192 D HA -0.110 4.530 4.640 0.000 0.000 0.195 192 D C 1.998 178.407 176.300 0.182 0.000 0.989 192 D CA 1.554 55.680 54.000 0.210 0.000 0.827 192 D CB -0.633 40.247 40.800 0.134 0.000 0.966 192 D HN 0.324 nan 8.370 nan 0.000 0.456 193 A N 0.539 123.426 122.820 0.111 0.000 1.933 193 A HA -0.197 4.123 4.320 0.000 0.000 0.218 193 A C 2.121 179.735 177.584 0.049 0.000 1.175 193 A CA 1.921 54.002 52.037 0.073 0.000 0.628 193 A CB -0.503 18.523 19.000 0.043 0.000 0.814 193 A HN 0.202 nan 8.150 nan 0.000 0.444 194 E N -0.934 119.277 120.200 0.018 0.000 2.047 194 E HA -0.188 4.162 4.350 0.000 0.000 0.191 194 E C 1.709 178.236 176.600 -0.122 0.000 0.987 194 E CA 1.500 57.845 56.400 -0.091 0.000 0.799 194 E CB -0.444 29.154 29.700 -0.170 0.000 0.752 194 E HN 0.721 nan 8.360 nan 0.000 0.449 195 W N 0.784 122.048 121.300 -0.059 0.000 2.355 195 W HA -0.122 4.538 4.660 0.000 0.000 0.309 195 W C 2.199 178.716 176.519 -0.005 0.000 1.206 195 W CA 1.213 58.486 57.345 -0.119 0.000 1.284 195 W CB -0.422 29.015 29.460 -0.039 0.000 1.145 195 W HN 0.253 nan 8.180 nan 0.000 0.502 196 D N 0.079 120.670 120.400 0.319 0.000 2.133 196 D HA -0.249 4.391 4.640 0.000 0.000 0.195 196 D C 2.149 178.535 176.300 0.143 0.000 0.997 196 D CA 1.699 55.844 54.000 0.241 0.000 0.840 196 D CB -0.238 40.655 40.800 0.154 0.000 0.947 196 D HN -0.035 nan 8.370 nan 0.000 0.452 197 R N -0.346 120.190 120.500 0.059 0.000 2.073 197 R HA -0.089 4.251 4.340 0.000 0.000 0.234 197 R C 2.470 178.738 176.300 -0.053 0.000 1.134 197 R CA 1.174 57.269 56.100 -0.008 0.000 0.952 197 R CB -0.310 29.965 30.300 -0.042 0.000 0.850 197 R HN 0.280 nan 8.270 nan 0.000 0.433 198 L N -0.525 120.634 121.223 -0.106 0.000 2.056 198 L HA -0.167 4.173 4.340 0.000 0.000 0.207 198 L C 2.352 179.155 176.870 -0.111 0.000 1.078 198 L CA 1.050 55.772 54.840 -0.195 0.000 0.749 198 L CB -0.590 41.253 42.059 -0.360 0.000 0.901 198 L HN 0.194 nan 8.230 nan 0.000 0.433 199 Y N 0.541 120.856 120.300 0.025 0.000 2.145 199 Y HA -0.250 4.300 4.550 0.000 0.000 0.286 199 Y C 2.901 178.784 175.900 -0.028 0.000 1.145 199 Y CA 1.585 59.698 58.100 0.022 0.000 1.148 199 Y CB -1.173 37.324 38.460 0.062 0.000 0.981 199 Y HN 0.132 nan 8.280 nan 0.000 0.507 200 T N -0.285 114.352 114.554 0.139 0.000 2.720 200 T HA -0.235 4.115 4.350 0.000 0.000 0.268 200 T C 1.996 176.678 174.700 -0.030 0.000 1.037 200 T CA 1.822 63.952 62.100 0.051 0.000 1.144 200 T CB -0.203 68.685 68.868 0.034 0.000 0.864 200 T HN 0.216 nan 8.240 nan 0.000 0.444 201 K N 0.646 120.972 120.400 -0.123 0.000 2.057 201 K HA 0.023 4.343 4.320 0.000 0.000 0.206 201 K C 2.562 178.875 176.600 -0.478 0.000 1.050 201 K CA 1.047 57.141 56.287 -0.321 0.000 0.935 201 K CB -0.290 31.962 32.500 -0.412 0.000 0.715 201 K HN 0.271 nan 8.250 nan 0.000 0.439 202 A N 1.321 123.957 122.820 -0.305 0.000 1.883 202 A HA -0.237 4.083 4.320 0.000 0.000 0.217 202 A C 1.854 179.460 177.584 0.036 0.000 1.186 202 A CA 1.880 53.802 52.037 -0.191 0.000 0.624 202 A CB -0.576 18.414 19.000 -0.017 0.000 0.822 202 A HN 0.432 nan 8.150 nan 0.000 0.444 203 E N -0.580 119.680 120.200 0.100 0.000 2.130 203 E HA -0.181 4.169 4.350 0.000 0.000 0.196 203 E C 2.300 178.999 176.600 0.165 0.000 0.998 203 E CA 1.360 57.858 56.400 0.163 0.000 0.806 203 E CB -0.168 29.596 29.700 0.106 0.000 0.738 203 E HN 0.638 nan 8.360 nan 0.000 0.459 204 S N -0.488 115.268 115.700 0.094 0.000 2.355 204 S HA -0.162 4.308 4.470 0.000 0.000 0.222 204 S C 1.843 176.607 174.600 0.275 0.000 1.031 204 S CA 0.856 59.140 58.200 0.140 0.000 0.993 204 S CB -0.244 63.010 63.200 0.090 0.000 0.859 204 S HN 0.272 nan 8.310 nan 0.000 0.453 205 Y N 0.378 120.701 120.300 0.039 0.000 2.207 205 Y HA 0.012 4.562 4.550 0.000 0.000 0.287 205 Y C 2.026 177.968 175.900 0.069 0.000 1.156 205 Y CA 0.417 58.510 58.100 -0.011 0.000 1.182 205 Y CB -1.006 37.369 38.460 -0.142 0.000 0.979 205 Y HN 0.410 nan 8.280 nan 0.000 0.521 206 F N -0.280 119.820 119.950 0.249 0.000 2.754 206 F HA -0.012 4.515 4.527 0.000 0.000 0.297 206 F C 0.577 176.483 175.800 0.178 0.000 1.122 206 F CA -0.025 58.110 58.000 0.225 0.000 1.400 206 F CB 0.388 39.537 39.000 0.249 0.000 1.117 206 F HN -0.109 nan 8.300 nan 0.000 0.587 207 Q N 0.775 120.770 119.800 0.325 0.000 2.487 207 Q HA -0.168 4.172 4.340 0.000 0.000 0.279 207 Q C -0.008 176.074 176.000 0.136 0.000 1.228 207 Q CA 0.731 56.645 55.803 0.187 0.000 0.873 207 Q CB -2.683 26.142 28.738 0.145 0.000 1.260 207 Q HN 0.189 nan 8.270 nan 0.000 0.471 208 T N 0.025 114.675 114.554 0.160 0.000 2.934 208 T HA 0.408 4.758 4.350 0.000 0.000 0.306 208 T C 0.815 175.542 174.700 0.045 0.000 1.042 208 T CA 0.718 62.871 62.100 0.088 0.000 1.145 208 T CB 1.146 70.077 68.868 0.105 0.000 0.982 208 T HN 0.505 nan 8.240 nan 0.000 0.544 209 G N 0.610 109.419 108.800 0.016 0.000 2.687 209 G HA2 0.547 4.507 3.960 0.000 0.000 0.291 209 G HA3 0.547 4.507 3.960 0.000 0.000 0.291 209 G C 0.016 174.921 174.900 0.009 0.000 1.420 209 G CA -0.437 44.666 45.100 0.005 0.000 0.796 209 G HN 0.624 nan 8.290 nan 0.000 0.485 210 T N -2.852 111.707 114.554 0.009 0.000 3.288 210 T HA 0.342 4.692 4.350 0.000 0.000 0.293 210 T C -0.280 174.430 174.700 0.016 0.000 1.008 210 T CA -0.015 62.101 62.100 0.026 0.000 0.929 210 T CB 0.635 69.524 68.868 0.035 0.000 1.152 210 T HN 0.220 nan 8.240 nan 0.000 0.517 211 D N 1.013 121.402 120.400 -0.018 0.000 2.498 211 D HA 0.118 4.758 4.640 0.000 0.000 0.223 211 D C 1.708 177.938 176.300 -0.117 0.000 1.125 211 D CA 0.104 54.071 54.000 -0.055 0.000 0.835 211 D CB 0.251 41.014 40.800 -0.060 0.000 1.086 211 D HN 0.237 nan 8.370 nan 0.000 0.510 212 Q N -0.443 119.279 119.800 -0.131 0.000 2.364 212 Q HA 0.012 4.352 4.340 0.000 0.000 0.209 212 Q C 0.382 176.030 176.000 -0.586 0.000 0.977 212 Q CA 0.915 56.520 55.803 -0.330 0.000 0.885 212 Q CB -0.160 28.345 28.738 -0.388 0.000 0.941 212 Q HN 0.305 nan 8.270 nan 0.000 0.464 213 F N -0.696 119.100 119.950 -0.256 0.000 2.683 213 F HA 0.296 4.823 4.527 0.000 0.000 0.306 213 F C 1.122 176.695 175.800 -0.378 0.000 1.102 213 F CA -0.407 57.411 58.000 -0.304 0.000 1.244 213 F CB 0.552 39.364 39.000 -0.314 0.000 1.029 213 F HN -0.119 nan 8.300 nan 0.000 0.545 214 K N 0.555 120.841 120.400 -0.191 0.000 2.362 214 K HA -0.154 4.166 4.320 0.000 0.000 0.200 214 K C 1.652 178.186 176.600 -0.110 0.000 1.046 214 K CA 0.895 57.120 56.287 -0.104 0.000 0.952 214 K CB 0.011 32.466 32.500 -0.074 0.000 0.753 214 K HN 0.351 nan 8.250 nan 0.000 0.466 215 E N 1.377 121.454 120.200 -0.206 0.000 2.502 215 E HA -0.048 4.302 4.350 0.000 0.000 0.194 215 E C -0.210 176.363 176.600 -0.044 0.000 1.062 215 E CA -0.107 56.111 56.400 -0.304 0.000 0.867 215 E CB 0.359 29.881 29.700 -0.296 0.000 0.888 215 E HN -0.013 nan 8.360 nan 0.000 0.510 216 S N 0.589 116.340 115.700 0.085 0.000 2.452 216 S HA 0.094 4.564 4.470 0.000 0.000 0.284 216 S C 1.116 175.821 174.600 0.175 0.000 1.171 216 S CA -0.622 57.662 58.200 0.139 0.000 1.064 216 S CB 0.831 64.149 63.200 0.196 0.000 0.967 216 S HN 0.388 nan 8.310 nan 0.000 0.484 217 I N 5.314 125.864 120.570 -0.034 0.000 2.208 217 I HA -0.099 4.071 4.170 0.000 0.000 0.245 217 I C 2.236 178.207 176.117 -0.244 0.000 1.097 217 I CA 1.316 62.354 61.300 -0.437 0.000 1.363 217 I CB -0.279 37.019 38.000 -1.171 0.000 1.051 217 I HN 0.687 nan 8.210 nan 0.000 0.413 218 R N -0.431 120.003 120.500 -0.111 0.000 2.091 218 R HA -0.247 4.093 4.340 0.000 0.000 0.238 218 R C 2.442 178.778 176.300 0.060 0.000 1.136 218 R CA 2.004 58.090 56.100 -0.023 0.000 0.959 218 R CB -0.919 29.382 30.300 0.002 0.000 0.856 218 R HN 0.614 nan 8.270 nan 0.000 0.437 219 H N 0.927 120.030 119.070 0.055 0.000 2.319 219 H HA -0.055 4.501 4.556 0.000 0.000 0.299 219 H C 1.788 177.195 175.328 0.132 0.000 1.092 219 H CA 1.954 58.057 56.048 0.092 0.000 1.302 219 H CB -0.042 29.805 29.762 0.141 0.000 1.373 219 H HN 0.147 nan 8.280 nan 0.000 0.497 220 N N 0.034 118.878 118.700 0.241 0.000 2.216 220 N HA -0.123 4.617 4.740 0.000 0.000 0.183 220 N C 2.052 177.717 175.510 0.258 0.000 1.017 220 N CA 0.983 54.214 53.050 0.301 0.000 0.861 220 N CB -0.180 38.653 38.487 0.577 0.000 0.986 220 N HN 0.313 nan 8.380 nan 0.000 0.428 221 L N 1.312 122.696 121.223 0.269 0.000 2.012 221 L HA -0.134 4.206 4.340 0.000 0.000 0.210 221 L C 2.117 179.042 176.870 0.092 0.000 1.073 221 L CA 1.373 56.360 54.840 0.246 0.000 0.748 221 L CB -0.412 41.757 42.059 0.184 0.000 0.891 221 L HN -0.121 nan 8.230 nan 0.000 0.431 222 V N -0.905 119.014 119.914 0.008 0.000 2.323 222 V HA -0.218 3.902 4.120 0.000 0.000 0.244 222 V C 2.365 178.385 176.094 -0.123 0.000 1.041 222 V CA 1.515 63.786 62.300 -0.049 0.000 1.025 222 V CB -0.484 31.285 31.823 -0.090 0.000 0.656 222 V HN 0.494 nan 8.190 nan 0.000 0.451 223 L N 0.970 122.090 121.223 -0.173 0.000 1.970 223 L HA -0.192 4.148 4.340 0.000 0.000 0.212 223 L C 2.265 179.073 176.870 -0.103 0.000 1.071 223 L CA 2.164 56.899 54.840 -0.176 0.000 0.751 223 L CB -0.924 41.018 42.059 -0.196 0.000 0.889 223 L HN 0.300 nan 8.230 nan 0.000 0.432 224 N N -0.063 118.628 118.700 -0.015 0.000 2.094 224 N HA -0.245 4.495 4.740 0.000 0.000 0.191 224 N C 1.836 177.328 175.510 -0.029 0.000 1.023 224 N CA 1.618 54.674 53.050 0.009 0.000 0.857 224 N CB -0.347 38.171 38.487 0.052 0.000 1.013 224 N HN 0.352 nan 8.380 nan 0.000 0.426 225 K N 1.099 121.476 120.400 -0.039 0.000 2.031 225 K HA 0.088 4.408 4.320 0.000 0.000 0.205 225 K C 1.973 178.518 176.600 -0.091 0.000 1.049 225 K CA 0.768 57.030 56.287 -0.042 0.000 0.939 225 K CB -0.391 32.103 32.500 -0.009 0.000 0.717 225 K HN 0.086 nan 8.250 nan 0.000 0.438 226 L N 0.313 121.416 121.223 -0.200 0.000 2.046 226 L HA -0.140 4.200 4.340 0.000 0.000 0.208 226 L C 2.517 179.214 176.870 -0.288 0.000 1.077 226 L CA 1.314 55.931 54.840 -0.372 0.000 0.747 226 L CB -0.683 40.793 42.059 -0.971 0.000 0.896 226 L HN 0.317 nan 8.230 nan 0.000 0.432 227 A N 0.260 122.949 122.820 -0.218 0.000 1.933 227 A HA -0.256 4.064 4.320 0.000 0.000 0.218 227 A C 2.280 179.921 177.584 0.093 0.000 1.175 227 A CA 1.906 53.983 52.037 0.067 0.000 0.628 227 A CB -0.487 18.567 19.000 0.091 0.000 0.814 227 A HN 0.588 nan 8.150 nan 0.000 0.444 228 E N -0.364 119.847 120.200 0.019 0.000 2.072 228 E HA -0.183 4.167 4.350 0.000 0.000 0.190 228 E C 1.584 178.175 176.600 -0.016 0.000 0.982 228 E CA 1.093 57.497 56.400 0.007 0.000 0.803 228 E CB -0.257 29.431 29.700 -0.019 0.000 0.755 228 E HN 0.531 nan 8.360 nan 0.000 0.453 229 E N -0.013 120.150 120.200 -0.061 0.000 2.153 229 E HA -0.161 4.189 4.350 0.000 0.000 0.194 229 E C 0.826 177.264 176.600 -0.270 0.000 0.988 229 E CA 0.980 57.265 56.400 -0.193 0.000 0.811 229 E CB -0.088 29.434 29.700 -0.297 0.000 0.746 229 E HN 0.529 nan 8.360 nan 0.000 0.466 230 Y N 0.437 120.780 120.300 0.071 0.000 2.708 230 Y HA 0.179 4.729 4.550 0.000 0.000 0.287 230 Y C 0.404 176.371 175.900 0.111 0.000 1.145 230 Y CA -0.686 57.491 58.100 0.127 0.000 1.249 230 Y CB 0.371 38.998 38.460 0.278 0.000 1.152 230 Y HN -0.284 nan 8.280 nan 0.000 0.532 231 K N 0.797 121.292 120.400 0.160 0.000 2.466 231 K HA 0.175 4.495 4.320 0.000 0.000 0.278 231 K C 1.189 177.851 176.600 0.105 0.000 1.048 231 K CA 1.186 57.543 56.287 0.118 0.000 1.088 231 K CB -0.191 32.346 32.500 0.062 0.000 0.884 231 K HN 0.555 nan 8.250 nan 0.000 0.478 232 G N 3.081 111.943 108.800 0.104 0.000 2.212 232 G HA2 -0.285 3.675 3.960 0.000 0.000 0.266 232 G HA3 -0.285 3.675 3.960 0.000 0.000 0.266 232 G C 0.718 175.674 174.900 0.094 0.000 0.978 232 G CA 0.521 45.671 45.100 0.083 0.000 0.632 232 G HN 0.595 nan 8.290 nan 0.000 0.537 233 Q N -0.811 119.070 119.800 0.135 0.000 2.462 233 Q HA 0.232 4.572 4.340 0.000 0.000 0.224 233 Q C 1.341 177.397 176.000 0.094 0.000 0.911 233 Q CA 0.773 56.658 55.803 0.136 0.000 0.925 233 Q CB 0.752 29.618 28.738 0.214 0.000 1.063 233 Q HN 0.646 nan 8.270 nan 0.000 0.572 234 R N 0.493 121.057 120.500 0.106 0.000 2.668 234 R HA 0.395 4.735 4.340 0.000 0.000 0.272 234 R C -1.391 174.920 176.300 0.019 0.000 1.019 234 R CA -0.647 55.417 56.100 -0.060 0.000 0.894 234 R CB 1.571 31.623 30.300 -0.413 0.000 1.228 234 R HN -0.068 nan 8.270 nan 0.000 0.460 235 D N 1.610 121.953 120.400 -0.095 0.000 2.168 235 D HA 0.372 5.012 4.640 0.000 0.000 0.246 235 D C -0.746 175.441 176.300 -0.187 0.000 1.050 235 D CA 0.099 54.093 54.000 -0.009 0.000 0.857 235 D CB 1.098 41.897 40.800 -0.002 0.000 1.169 235 D HN 0.130 nan 8.370 nan 0.000 0.453 236 F N 0.877 120.838 119.950 0.019 0.000 2.538 236 F HA 0.428 4.955 4.527 0.000 0.000 0.325 236 F C 0.658 176.479 175.800 0.034 0.000 1.066 236 F CA -0.624 57.382 58.000 0.010 0.000 0.946 236 F CB 1.657 40.661 39.000 0.007 0.000 1.199 236 F HN 0.208 nan 8.300 nan 0.000 0.473 237 Q N -0.082 119.844 119.800 0.209 0.000 2.685 237 Q HA 0.325 4.665 4.340 0.000 0.000 0.301 237 Q C -1.554 174.567 176.000 0.200 0.000 0.924 237 Q CA -1.274 54.634 55.803 0.174 0.000 0.755 237 Q CB 1.670 30.472 28.738 0.107 0.000 1.470 237 Q HN 0.599 nan 8.270 nan 0.000 0.434 238 Q N 1.025 120.969 119.800 0.240 0.000 2.330 238 Q HA 0.180 4.520 4.340 0.000 0.000 0.279 238 Q C -0.429 175.648 176.000 0.128 0.000 1.024 238 Q CA -0.050 55.902 55.803 0.249 0.000 0.900 238 Q CB 0.437 29.275 28.738 0.166 0.000 1.221 238 Q HN 0.555 nan 8.270 nan 0.000 0.396 239 I N 6.625 127.252 120.570 0.095 0.000 2.826 239 I HA -0.087 4.083 4.170 0.000 0.000 0.295 239 I C -1.982 174.158 176.117 0.038 0.000 1.213 239 I CA -1.281 60.047 61.300 0.047 0.000 1.436 239 I CB 0.003 38.001 38.000 -0.003 0.000 1.348 239 I HN 0.424 nan 8.210 nan 0.000 0.570 240 P HA 0.227 nan 4.420 nan 0.000 0.271 240 P C -0.916 176.376 177.300 -0.013 0.000 1.226 240 P CA 0.140 63.243 63.100 0.006 0.000 0.765 240 P CB 0.457 32.149 31.700 -0.013 0.000 0.835 241 L N 2.509 123.730 121.223 -0.003 0.000 2.385 241 L HA 0.606 4.946 4.340 0.000 0.000 0.273 241 L C 0.255 177.097 176.870 -0.048 0.000 0.990 241 L CA -1.138 53.690 54.840 -0.019 0.000 0.821 241 L CB 2.088 44.198 42.059 0.085 0.000 1.279 241 L HN 0.260 nan 8.230 nan 0.000 0.412 242 A N 3.381 126.121 122.820 -0.134 0.000 2.671 242 A HA 0.744 5.064 4.320 0.000 0.000 0.306 242 A C 0.071 177.635 177.584 -0.034 0.000 1.473 242 A CA 0.177 52.163 52.037 -0.086 0.000 1.155 242 A CB -0.349 18.493 19.000 -0.265 0.000 1.123 242 A HN 0.804 nan 8.150 nan 0.000 0.545 243 A N 1.949 124.728 122.820 -0.068 0.000 2.590 243 A HA 0.717 5.037 4.320 0.000 0.000 0.294 243 A C -0.512 176.935 177.584 -0.229 0.000 1.046 243 A CA -0.459 51.433 52.037 -0.242 0.000 0.684 243 A CB 0.720 19.378 19.000 -0.570 0.000 1.279 243 A HN 0.653 nan 8.150 nan 0.000 0.415 244 T N 1.442 115.832 114.554 -0.273 0.000 2.840 244 T HA 0.469 4.819 4.350 0.000 0.000 0.287 244 T C -0.049 174.485 174.700 -0.276 0.000 0.991 244 T CA -0.406 61.568 62.100 -0.209 0.000 0.964 244 T CB 1.157 69.968 68.868 -0.096 0.000 0.954 244 T HN 0.723 nan 8.240 nan 0.000 0.438 245 R N 2.428 122.753 120.500 -0.292 0.000 2.489 245 R HA 0.209 4.549 4.340 0.000 0.000 0.287 245 R C 0.872 177.084 176.300 -0.146 0.000 1.053 245 R CA -0.183 55.745 56.100 -0.287 0.000 1.036 245 R CB 0.354 30.453 30.300 -0.336 0.000 0.966 245 R HN 0.446 nan 8.270 nan 0.000 0.432 246 R N 1.163 121.627 120.500 -0.061 0.000 2.279 246 R HA 0.131 4.471 4.340 0.000 0.000 0.195 246 R C 0.000 176.292 176.300 -0.014 0.000 0.905 246 R CA 0.537 56.638 56.100 0.002 0.000 1.044 246 R CB 0.612 30.973 30.300 0.101 0.000 1.056 246 R HN 0.762 nan 8.270 nan 0.000 0.535 247 S N -1.375 114.318 115.700 -0.013 0.000 2.595 247 S HA 0.305 4.775 4.470 0.000 0.000 0.270 247 S C -2.689 171.883 174.600 -0.047 0.000 1.145 247 S CA -1.010 57.177 58.200 -0.023 0.000 0.825 247 S CB 2.067 65.273 63.200 0.009 0.000 1.107 247 S HN -0.275 nan 8.310 nan 0.000 0.461 248 P HA -0.041 nan 4.420 nan 0.000 0.221 248 P C 0.980 178.259 177.300 -0.036 0.000 1.141 248 P CA 2.030 65.094 63.100 -0.059 0.000 0.794 248 P CB -0.166 31.517 31.700 -0.029 0.000 0.764 249 T N -7.322 107.240 114.554 0.014 0.000 3.209 249 T HA 0.294 4.644 4.350 0.000 0.000 0.295 249 T C -0.289 174.477 174.700 0.110 0.000 0.977 249 T CA -0.384 61.747 62.100 0.051 0.000 0.922 249 T CB -0.595 68.318 68.868 0.076 0.000 1.152 249 T HN -0.103 nan 8.240 nan 0.000 0.527 250 F N 1.610 121.511 119.950 -0.081 0.000 2.562 250 F HA 0.668 5.196 4.527 0.000 0.000 0.319 250 F C -1.569 174.122 175.800 -0.181 0.000 1.154 250 F CA -1.001 56.950 58.000 -0.083 0.000 0.931 250 F CB 1.937 40.902 39.000 -0.058 0.000 1.198 250 F HN -0.097 nan 8.300 nan 0.000 0.444 251 V N 5.328 124.834 119.914 -0.681 0.000 2.448 251 V HA 0.274 4.394 4.120 0.000 0.000 0.295 251 V C -0.345 175.207 176.094 -0.903 0.000 1.025 251 V CA -0.825 61.022 62.300 -0.754 0.000 0.859 251 V CB 1.652 32.866 31.823 -1.015 0.000 0.988 251 V HN 0.724 nan 8.190 nan 0.000 0.431 252 E N 4.457 124.387 120.200 -0.451 0.000 1.996 252 E HA 0.149 4.499 4.350 0.000 0.000 0.280 252 E C -1.153 175.253 176.600 -0.323 0.000 1.092 252 E CA -0.553 55.722 56.400 -0.209 0.000 0.862 252 E CB 0.443 30.197 29.700 0.090 0.000 1.066 252 E HN 0.626 nan 8.360 nan 0.000 0.396 253 W N 2.873 124.045 121.300 -0.213 0.000 2.238 253 W HA 0.125 4.785 4.660 0.000 0.000 0.321 253 W C 0.664 177.187 176.519 0.006 0.000 1.293 253 W CA -0.484 56.713 57.345 -0.247 0.000 1.204 253 W CB 0.824 29.876 29.460 -0.680 0.000 1.167 253 W HN 0.307 nan 8.180 nan 0.000 0.553 254 S N 1.897 117.781 115.700 0.307 0.000 2.593 254 S HA 0.533 5.003 4.470 0.000 0.000 0.269 254 S C 0.216 175.256 174.600 0.734 0.000 1.334 254 S CA -0.537 57.928 58.200 0.441 0.000 1.015 254 S CB 0.829 64.287 63.200 0.429 0.000 0.912 254 S HN 0.505 nan 8.310 nan 0.000 0.541 255 S N 0.115 116.194 115.700 0.633 0.000 2.790 255 S HA 0.713 5.183 4.470 0.000 0.000 0.292 255 S C 0.852 175.668 174.600 0.360 0.000 1.197 255 S CA -0.379 58.139 58.200 0.529 0.000 0.851 255 S CB 0.641 64.074 63.200 0.388 0.000 1.217 255 S HN 0.677 nan 8.310 nan 0.000 0.526 256 A N 1.508 124.429 122.820 0.169 0.000 1.948 256 A HA -0.191 4.129 4.320 0.000 0.000 0.220 256 A C 1.992 179.631 177.584 0.091 0.000 1.177 256 A CA 2.107 54.195 52.037 0.085 0.000 0.636 256 A CB -1.524 17.496 19.000 0.033 0.000 0.815 256 A HN 0.860 nan 8.150 nan 0.000 0.449 257 N N -0.425 118.339 118.700 0.106 0.000 2.094 257 N HA -0.183 4.557 4.740 0.000 0.000 0.191 257 N C 1.579 177.123 175.510 0.056 0.000 1.023 257 N CA 2.215 55.303 53.050 0.064 0.000 0.857 257 N CB -0.271 38.267 38.487 0.084 0.000 1.013 257 N HN 0.484 nan 8.380 nan 0.000 0.426 258 T N 0.514 115.149 114.554 0.135 0.000 2.788 258 T HA -0.072 4.278 4.350 0.000 0.000 0.268 258 T C 2.076 176.813 174.700 0.062 0.000 1.044 258 T CA 1.265 63.446 62.100 0.135 0.000 1.139 258 T CB -0.242 68.789 68.868 0.271 0.000 0.867 258 T HN 0.075 nan 8.240 nan 0.000 0.454 259 V N -0.563 119.372 119.914 0.034 0.000 2.323 259 V HA 0.176 4.296 4.120 0.000 0.000 0.244 259 V C 0.494 176.553 176.094 -0.058 0.000 1.041 259 V CA 0.912 63.158 62.300 -0.090 0.000 1.025 259 V CB -0.348 31.374 31.823 -0.168 0.000 0.656 259 V HN 0.483 nan 8.190 nan 0.000 0.451 260 F N 1.054 120.885 119.950 -0.198 0.000 2.605 260 F HA 0.391 4.918 4.527 0.000 0.000 0.320 260 F C 0.266 175.957 175.800 -0.180 0.000 1.159 260 F CA -1.666 56.190 58.000 -0.239 0.000 0.999 260 F CB 1.437 40.247 39.000 -0.317 0.000 1.258 260 F HN 0.158 nan 8.300 nan 0.000 0.464 261 D N 4.746 124.715 120.400 -0.718 0.000 2.371 261 D HA -0.052 4.588 4.640 0.000 0.000 0.221 261 D C 1.167 177.193 176.300 -0.458 0.000 0.986 261 D CA 1.182 54.905 54.000 -0.462 0.000 0.899 261 D CB -0.008 40.584 40.800 -0.347 0.000 0.902 261 D HN 0.685 nan 8.370 nan 0.000 0.530 262 L N -2.061 118.691 121.223 -0.785 0.000 4.759 262 L HA -0.232 4.108 4.340 0.000 0.000 0.419 262 L C -0.179 176.651 176.870 -0.067 0.000 1.093 262 L CA 0.436 55.107 54.840 -0.282 0.000 1.037 262 L CB -1.297 40.758 42.059 -0.005 0.000 2.095 262 L HN 0.233 nan 8.230 nan 0.000 0.739 263 Q N 0.867 120.534 119.800 -0.222 0.000 2.340 263 Q HA 0.252 4.592 4.340 0.000 0.000 0.249 263 Q C 0.322 176.373 176.000 0.085 0.000 0.957 263 Q CA -0.278 55.485 55.803 -0.066 0.000 0.882 263 Q CB 0.711 29.381 28.738 -0.113 0.000 1.235 263 Q HN 0.114 nan 8.270 nan 0.000 0.439 264 N N 2.012 120.750 118.700 0.064 0.000 2.454 264 N HA 0.044 4.785 4.740 0.000 0.000 0.260 264 N C -0.347 175.217 175.510 0.090 0.000 1.218 264 N CA 0.435 53.527 53.050 0.070 0.000 0.904 264 N CB 0.499 38.946 38.487 -0.067 0.000 1.065 264 N HN 0.212 nan 8.380 nan 0.000 0.462 265 R N 2.027 122.624 120.500 0.161 0.000 2.637 265 R HA 0.477 4.817 4.340 0.000 0.000 0.291 265 R C -2.276 174.103 176.300 0.130 0.000 0.963 265 R CA -1.567 54.620 56.100 0.146 0.000 0.901 265 R CB 1.665 32.087 30.300 0.203 0.000 1.160 265 R HN 0.399 nan 8.270 nan 0.000 0.457 266 P HA 0.115 nan 4.420 nan 0.000 0.279 266 P C -1.450 175.903 177.300 0.088 0.000 1.239 266 P CA -0.366 62.826 63.100 0.154 0.000 0.789 266 P CB 0.944 32.785 31.700 0.235 0.000 0.933 267 N N -0.326 118.412 118.700 0.063 0.000 2.697 267 N HA 0.228 4.968 4.740 0.000 0.000 0.272 267 N C 0.793 176.312 175.510 0.015 0.000 1.381 267 N CA -0.743 52.325 53.050 0.029 0.000 0.797 267 N CB -0.472 38.021 38.487 0.009 0.000 1.523 267 N HN 0.221 nan 8.380 nan 0.000 0.518 268 T N -3.349 111.207 114.554 0.003 0.000 2.849 268 T HA -0.127 4.223 4.350 0.000 0.000 0.270 268 T C 0.293 174.986 174.700 -0.011 0.000 1.066 268 T CA 1.461 63.558 62.100 -0.004 0.000 1.130 268 T CB -0.382 68.481 68.868 -0.008 0.000 0.864 268 T HN 0.532 nan 8.240 nan 0.000 0.481 269 D N 1.497 121.887 120.400 -0.016 0.000 2.367 269 D HA 0.381 5.021 4.640 0.000 0.000 0.207 269 D C 0.662 176.950 176.300 -0.018 0.000 1.034 269 D CA 0.383 54.369 54.000 -0.023 0.000 0.861 269 D CB 0.366 41.145 40.800 -0.035 0.000 0.943 269 D HN 0.575 nan 8.370 nan 0.000 0.515 270 A N 1.430 124.247 122.820 -0.005 0.000 3.156 270 A HA 0.355 4.675 4.320 0.000 0.000 0.311 270 A C -2.055 175.546 177.584 0.028 0.000 1.129 270 A CA -0.853 51.190 52.037 0.010 0.000 0.809 270 A CB 1.086 20.099 19.000 0.023 0.000 1.257 270 A HN -0.193 nan 8.150 nan 0.000 0.491 271 P HA -0.084 nan 4.420 nan 0.000 0.223 271 P C 0.528 177.797 177.300 -0.052 0.000 1.151 271 P CA 1.161 64.256 63.100 -0.009 0.000 0.787 271 P CB 0.406 32.079 31.700 -0.046 0.000 0.788 272 E N -0.127 120.023 120.200 -0.084 0.000 2.465 272 E HA 0.136 4.486 4.350 0.000 0.000 0.195 272 E C 0.221 176.892 176.600 0.118 0.000 1.028 272 E CA 0.070 56.363 56.400 -0.178 0.000 0.899 272 E CB 0.505 30.065 29.700 -0.234 0.000 1.032 272 E HN 0.489 nan 8.360 nan 0.000 0.468 273 E N 0.966 121.281 120.200 0.192 0.000 2.227 273 E HA 0.463 4.813 4.350 0.000 0.000 0.268 273 E C -0.315 176.458 176.600 0.288 0.000 0.990 273 E CA -0.580 55.954 56.400 0.224 0.000 0.856 273 E CB 1.463 31.258 29.700 0.158 0.000 1.159 273 E HN -0.127 nan 8.360 nan 0.000 0.401 274 R N 1.869 122.520 120.500 0.251 0.000 2.518 274 R HA 0.408 4.748 4.340 0.000 0.000 0.296 274 R C -1.643 174.814 176.300 0.263 0.000 1.080 274 R CA -0.512 55.711 56.100 0.204 0.000 0.922 274 R CB 1.036 31.398 30.300 0.104 0.000 1.184 274 R HN 0.403 nan 8.270 nan 0.000 0.445 275 F N 2.113 122.089 119.950 0.043 0.000 2.622 275 F HA 0.445 4.972 4.527 0.000 0.000 0.318 275 F C -1.774 173.967 175.800 -0.098 0.000 1.135 275 F CA -0.602 57.396 58.000 -0.003 0.000 1.015 275 F CB 2.027 41.095 39.000 0.114 0.000 1.275 275 F HN 0.384 nan 8.300 nan 0.000 0.457 276 N N 4.620 122.710 118.700 -1.016 0.000 2.296 276 N HA 0.590 5.330 4.740 0.000 0.000 0.294 276 N C -2.026 172.485 175.510 -1.666 0.000 1.033 276 N CA -0.647 51.710 53.050 -1.155 0.000 0.839 276 N CB 2.331 40.267 38.487 -0.918 0.000 1.395 276 N HN 0.578 nan 8.380 nan 0.000 0.479 277 L N 2.518 122.969 121.223 -1.287 0.000 2.295 277 L HA 0.621 4.961 4.340 0.000 0.000 0.285 277 L C -1.609 174.698 176.870 -0.939 0.000 1.035 277 L CA -0.287 54.023 54.840 -0.884 0.000 0.806 277 L CB 0.110 41.989 42.059 -0.300 0.000 1.214 277 L HN 0.465 nan 8.230 nan 0.000 0.426 278 F N 6.490 126.194 119.950 -0.409 0.000 2.359 278 F HA 0.532 5.059 4.527 0.000 0.000 0.370 278 F C -2.087 173.668 175.800 -0.075 0.000 1.077 278 F CA -2.109 55.749 58.000 -0.237 0.000 1.136 278 F CB 0.607 39.434 39.000 -0.287 0.000 1.387 278 F HN 0.427 nan 8.300 nan 0.000 0.468 279 P HA 0.293 nan 4.420 nan 0.000 0.276 279 P C 0.019 177.375 177.300 0.093 0.000 1.261 279 P CA -0.210 62.932 63.100 0.069 0.000 0.800 279 P CB 0.951 32.671 31.700 0.034 0.000 1.066 280 A N -0.974 121.886 122.820 0.066 0.000 2.783 280 A HA -0.113 4.207 4.320 0.000 0.000 0.292 280 A C -0.014 177.598 177.584 0.046 0.000 1.495 280 A CA 0.774 52.842 52.037 0.052 0.000 0.787 280 A CB -2.414 16.616 19.000 0.050 0.000 1.017 280 A HN 0.259 nan 8.150 nan 0.000 0.516 281 V N -0.142 119.813 119.914 0.069 0.000 2.376 281 V HA 0.651 4.771 4.120 0.000 0.000 0.287 281 V C 0.615 176.711 176.094 0.003 0.000 1.015 281 V CA -0.310 62.030 62.300 0.067 0.000 0.834 281 V CB 1.395 33.347 31.823 0.215 0.000 1.001 281 V HN 1.425 nan 8.190 nan 0.000 0.428 282 A N 4.288 127.084 122.820 -0.040 0.000 2.362 282 A HA 0.496 4.816 4.320 0.000 0.000 0.276 282 A C 0.083 177.636 177.584 -0.050 0.000 1.153 282 A CA -0.143 51.850 52.037 -0.072 0.000 0.813 282 A CB 0.054 19.044 19.000 -0.017 0.000 1.081 282 A HN 0.850 nan 8.150 nan 0.000 0.507 283 C N 2.524 121.770 119.300 -0.090 0.000 2.330 283 C HA 0.433 4.893 4.460 0.000 0.000 0.344 283 C C 1.324 176.270 174.990 -0.074 0.000 1.273 283 C CA -0.318 58.639 59.018 -0.103 0.000 1.879 283 C CB 0.131 27.801 27.740 -0.116 0.000 2.376 283 C HN 1.033 nan 8.230 nan 0.000 0.534 284 E N 0.932 121.107 120.200 -0.042 0.000 2.332 284 E HA 0.108 4.458 4.350 0.000 0.000 0.202 284 E C 0.199 176.766 176.600 -0.054 0.000 0.877 284 E CA 0.330 56.712 56.400 -0.030 0.000 0.979 284 E CB 0.493 30.200 29.700 0.011 0.000 0.969 284 E HN 0.737 nan 8.360 nan 0.000 0.495 285 R N 0.229 120.699 120.500 -0.050 0.000 2.663 285 R HA 0.437 4.777 4.340 0.000 0.000 0.267 285 R C -0.836 175.402 176.300 -0.104 0.000 1.038 285 R CA -0.831 55.213 56.100 -0.093 0.000 0.886 285 R CB 1.202 31.418 30.300 -0.141 0.000 1.249 285 R HN -0.085 nan 8.270 nan 0.000 0.463 286 V N -0.715 119.124 119.914 -0.125 0.000 2.472 286 V HA 0.573 4.693 4.120 0.000 0.000 0.290 286 V C 0.110 176.117 176.094 -0.145 0.000 1.037 286 V CA -0.888 61.307 62.300 -0.175 0.000 0.908 286 V CB 1.652 33.331 31.823 -0.239 0.000 0.985 286 V HN 0.508 nan 8.190 nan 0.000 0.454 287 V N 5.690 125.505 119.914 -0.164 0.000 2.406 287 V HA 0.431 4.551 4.120 0.000 0.000 0.272 287 V C 0.634 176.690 176.094 -0.063 0.000 1.043 287 V CA -0.316 61.908 62.300 -0.127 0.000 0.915 287 V CB 0.698 32.464 31.823 -0.095 0.000 0.988 287 V HN 0.952 nan 8.190 nan 0.000 0.466 288 R N 3.869 124.356 120.500 -0.022 0.000 2.459 288 R HA 0.333 4.673 4.340 0.000 0.000 0.281 288 R C 0.414 176.750 176.300 0.061 0.000 1.050 288 R CA -0.571 55.584 56.100 0.093 0.000 1.055 288 R CB 0.596 30.945 30.300 0.081 0.000 1.045 288 R HN 0.865 nan 8.270 nan 0.000 0.495 289 N N 1.476 120.231 118.700 0.093 0.000 2.317 289 N HA 0.009 4.749 4.740 0.000 0.000 0.245 289 N C 0.537 176.047 175.510 -0.000 0.000 1.294 289 N CA 0.176 53.246 53.050 0.035 0.000 0.924 289 N CB 0.379 38.885 38.487 0.032 0.000 1.186 289 N HN 0.561 nan 8.380 nan 0.000 0.495 290 A N -0.360 122.452 122.820 -0.014 0.000 1.933 290 A HA -0.073 4.247 4.320 0.000 0.000 0.218 290 A C 1.720 179.277 177.584 -0.045 0.000 1.175 290 A CA 1.006 53.027 52.037 -0.027 0.000 0.628 290 A CB -0.511 18.477 19.000 -0.020 0.000 0.814 290 A HN 0.500 nan 8.150 nan 0.000 0.444 291 L N -0.164 121.023 121.223 -0.060 0.000 2.592 291 L HA 0.156 4.496 4.340 0.000 0.000 0.227 291 L C -0.041 176.735 176.870 -0.156 0.000 1.127 291 L CA 0.243 55.031 54.840 -0.087 0.000 0.884 291 L CB -1.265 40.748 42.059 -0.077 0.000 1.065 291 L HN 0.453 nan 8.230 nan 0.000 0.457 292 N N -0.072 118.523 118.700 -0.176 0.000 2.714 292 N HA -0.201 4.539 4.740 0.000 0.000 0.253 292 N C 0.996 175.942 175.510 -0.939 0.000 1.024 292 N CA 0.973 53.803 53.050 -0.367 0.000 0.726 292 N CB -1.286 37.100 38.487 -0.167 0.000 0.908 292 N HN 0.524 nan 8.380 nan 0.000 0.542 293 S N -2.387 112.911 115.700 -0.670 0.000 2.632 293 S HA 0.264 4.734 4.470 0.000 0.000 0.237 293 S C 0.281 174.698 174.600 -0.305 0.000 1.037 293 S CA -0.242 57.613 58.200 -0.576 0.000 1.009 293 S CB 1.612 64.666 63.200 -0.243 0.000 0.974 293 S HN 0.289 nan 8.310 nan 0.000 0.544 294 E N 0.369 120.520 120.200 -0.081 0.000 2.412 294 E HA 0.430 4.780 4.350 0.000 0.000 0.279 294 E C -1.627 175.188 176.600 0.360 0.000 0.984 294 E CA -0.806 55.729 56.400 0.226 0.000 0.788 294 E CB 1.790 31.581 29.700 0.152 0.000 1.277 294 E HN 0.108 nan 8.360 nan 0.000 0.455 295 I N 2.319 123.061 120.570 0.287 0.000 2.353 295 I HA 0.129 4.299 4.170 0.000 0.000 0.293 295 I C 1.153 177.289 176.117 0.032 0.000 0.992 295 I CA 0.208 61.528 61.300 0.034 0.000 1.268 295 I CB 1.214 39.018 38.000 -0.327 0.000 1.387 295 I HN 0.628 nan 8.210 nan 0.000 0.478 296 E N 3.071 123.271 120.200 0.000 0.000 2.364 296 E HA 0.053 4.403 4.350 0.000 0.000 0.196 296 E C 0.150 176.819 176.600 0.115 0.000 0.990 296 E CA 0.380 56.833 56.400 0.088 0.000 0.886 296 E CB 0.822 30.567 29.700 0.076 0.000 0.866 296 E HN 0.776 nan 8.360 nan 0.000 0.493 297 S N -0.706 114.977 115.700 -0.028 0.000 2.615 297 S HA 0.440 4.910 4.470 0.000 0.000 0.268 297 S C -1.526 173.029 174.600 -0.075 0.000 1.146 297 S CA -1.019 57.228 58.200 0.080 0.000 0.818 297 S CB 1.341 64.635 63.200 0.157 0.000 1.111 297 S HN 0.008 nan 8.310 nan 0.000 0.465 298 L N 1.910 123.201 121.223 0.114 0.000 2.325 298 L HA 0.564 4.904 4.340 0.000 0.000 0.281 298 L C -0.821 176.101 176.870 0.086 0.000 1.004 298 L CA -0.170 54.702 54.840 0.053 0.000 0.823 298 L CB 1.208 43.331 42.059 0.106 0.000 1.236 298 L HN 0.914 nan 8.230 nan 0.000 0.415 299 H N 6.280 125.294 119.070 -0.093 0.000 2.562 299 H HA 0.469 5.025 4.556 0.000 0.000 0.314 299 H C -0.425 174.841 175.328 -0.102 0.000 1.079 299 H CA -0.322 55.680 56.048 -0.077 0.000 1.349 299 H CB 1.291 31.013 29.762 -0.066 0.000 1.432 299 H HN 0.687 nan 8.280 nan 0.000 0.479 300 I N 0.440 120.976 120.570 -0.056 0.000 2.740 300 I HA 0.373 4.543 4.170 0.000 0.000 0.303 300 I C -0.804 175.364 176.117 0.085 0.000 1.044 300 I CA -0.914 60.344 61.300 -0.070 0.000 1.064 300 I CB 2.895 40.728 38.000 -0.278 0.000 1.249 300 I HN 0.567 nan 8.210 nan 0.000 0.433 301 H N 4.015 123.075 119.070 -0.017 0.000 2.708 301 H HA 0.228 4.784 4.556 0.000 0.000 0.320 301 H C -1.365 174.002 175.328 0.066 0.000 0.991 301 H CA -0.679 55.386 56.048 0.029 0.000 1.243 301 H CB 1.464 31.241 29.762 0.026 0.000 1.446 301 H HN 0.784 nan 8.280 nan 0.000 0.502 302 D N 6.045 126.494 120.400 0.081 0.000 2.338 302 D HA -0.001 4.639 4.640 0.000 0.000 0.255 302 D C 1.223 177.399 176.300 -0.207 0.000 1.237 302 D CA -0.137 53.863 54.000 0.001 0.000 0.883 302 D CB 0.965 41.867 40.800 0.171 0.000 1.087 302 D HN 0.692 nan 8.370 nan 0.000 0.485 303 L N 4.179 125.267 121.223 -0.225 0.000 2.217 303 L HA -0.146 4.194 4.340 0.000 0.000 0.211 303 L C 2.062 178.882 176.870 -0.083 0.000 1.107 303 L CA 0.287 54.982 54.840 -0.241 0.000 0.783 303 L CB -0.144 41.861 42.059 -0.089 0.000 0.919 303 L HN 0.539 nan 8.230 nan 0.000 0.442 304 I N -0.069 120.488 120.570 -0.021 0.000 2.193 304 I HA -0.182 3.988 4.170 0.000 0.000 0.240 304 I C 2.728 178.862 176.117 0.028 0.000 1.084 304 I CA 1.849 63.158 61.300 0.015 0.000 1.365 304 I CB -1.339 36.681 38.000 0.033 0.000 1.064 304 I HN 0.293 nan 8.210 nan 0.000 0.410 305 S N 0.048 115.776 115.700 0.046 0.000 2.470 305 S HA 0.190 4.660 4.470 0.000 0.000 0.225 305 S C 1.795 176.439 174.600 0.075 0.000 1.006 305 S CA 0.633 58.873 58.200 0.067 0.000 0.934 305 S CB 0.173 63.432 63.200 0.098 0.000 0.778 305 S HN 0.610 nan 8.310 nan 0.000 0.517 306 G N 1.837 110.685 108.800 0.079 0.000 2.175 306 G HA2 -0.209 3.751 3.960 0.000 0.000 0.244 306 G HA3 -0.209 3.751 3.960 0.000 0.000 0.244 306 G C -0.454 174.580 174.900 0.223 0.000 0.982 306 G CA 0.118 45.318 45.100 0.166 0.000 0.641 306 G HN 0.775 nan 8.290 nan 0.000 0.527 307 D N -0.177 120.307 120.400 0.140 0.000 2.277 307 D HA 0.708 5.349 4.640 0.000 0.000 0.250 307 D C 0.440 176.690 176.300 -0.083 0.000 1.032 307 D CA -0.730 53.251 54.000 -0.031 0.000 0.947 307 D CB 0.856 41.542 40.800 -0.190 0.000 1.159 307 D HN 0.409 nan 8.370 nan 0.000 0.460 308 R N 0.101 120.392 120.500 -0.349 0.000 2.604 308 R HA 0.691 5.031 4.340 0.000 0.000 0.287 308 R C -0.797 175.096 176.300 -0.679 0.000 0.970 308 R CA -0.727 55.200 56.100 -0.288 0.000 0.946 308 R CB 1.185 31.368 30.300 -0.195 0.000 1.127 308 R HN 0.356 nan 8.270 nan 0.000 0.473 309 F N -0.263 119.586 119.950 -0.170 0.000 2.629 309 F HA 0.338 4.865 4.527 0.000 0.000 0.316 309 F C -0.102 175.495 175.800 -0.338 0.000 1.081 309 F CA -0.975 56.901 58.000 -0.208 0.000 0.954 309 F CB 2.013 40.921 39.000 -0.153 0.000 1.337 309 F HN 0.298 nan 8.300 nan 0.000 0.474 310 E N 1.791 121.940 120.200 -0.084 0.000 2.175 310 E HA 0.489 4.839 4.350 0.000 0.000 0.278 310 E C -1.111 175.505 176.600 0.028 0.000 0.969 310 E CA -0.500 55.830 56.400 -0.117 0.000 0.796 310 E CB 1.314 30.967 29.700 -0.077 0.000 1.104 310 E HN 0.223 nan 8.360 nan 0.000 0.395 311 I N 3.250 123.850 120.570 0.050 0.000 2.378 311 I HA 0.284 4.455 4.170 0.000 0.000 0.291 311 I C -0.099 176.158 176.117 0.233 0.000 0.992 311 I CA -0.878 60.497 61.300 0.124 0.000 1.154 311 I CB 1.303 39.345 38.000 0.070 0.000 1.315 311 I HN 0.388 nan 8.210 nan 0.000 0.448 312 K N 5.106 125.634 120.400 0.213 0.000 2.138 312 K HA 0.852 5.172 4.320 0.000 0.000 0.263 312 K C -1.088 175.601 176.600 0.149 0.000 0.965 312 K CA -0.286 56.134 56.287 0.223 0.000 0.868 312 K CB 1.787 34.370 32.500 0.138 0.000 1.083 312 K HN 0.795 nan 8.250 nan 0.000 0.443 313 A N 2.706 125.536 122.820 0.017 0.000 2.612 313 A HA 0.337 4.657 4.320 0.000 0.000 0.293 313 A C -0.537 176.916 177.584 -0.218 0.000 1.075 313 A CA -0.695 51.221 52.037 -0.202 0.000 0.680 313 A CB 1.029 19.736 19.000 -0.489 0.000 1.279 313 A HN 0.782 nan 8.150 nan 0.000 0.411 314 D N -0.409 119.905 120.400 -0.145 0.000 2.149 314 D HA 0.060 4.700 4.640 0.000 0.000 0.201 314 D C 0.404 176.548 176.300 -0.261 0.000 0.972 314 D CA 1.832 55.785 54.000 -0.079 0.000 0.835 314 D CB 0.177 40.983 40.800 0.010 0.000 0.966 314 D HN 0.246 nan 8.370 nan 0.000 0.476 315 V N 0.655 120.293 119.914 -0.461 0.000 2.588 315 V HA 0.266 4.386 4.120 0.000 0.000 0.304 315 V C -1.205 174.597 176.094 -0.486 0.000 1.042 315 V CA -0.854 61.180 62.300 -0.444 0.000 0.877 315 V CB 1.788 33.246 31.823 -0.608 0.000 0.996 315 V HN -0.057 nan 8.190 nan 0.000 0.425 316 Y N 2.879 123.161 120.300 -0.029 0.000 2.341 316 Y HA 0.701 5.251 4.550 0.000 0.000 0.338 316 Y C -0.105 175.757 175.900 -0.063 0.000 0.965 316 Y CA -0.961 57.113 58.100 -0.044 0.000 1.108 316 Y CB 2.080 40.518 38.460 -0.037 0.000 1.180 316 Y HN 0.343 nan 8.280 nan 0.000 0.458 317 V N 5.426 125.307 119.914 -0.055 0.000 2.444 317 V HA 0.369 4.489 4.120 0.000 0.000 0.294 317 V C -0.470 175.493 176.094 -0.218 0.000 1.022 317 V CA -0.912 61.237 62.300 -0.251 0.000 0.850 317 V CB 1.651 33.101 31.823 -0.622 0.000 0.992 317 V HN 0.609 nan 8.190 nan 0.000 0.426 318 L N 5.308 126.402 121.223 -0.216 0.000 2.264 318 L HA 0.517 4.857 4.340 0.000 0.000 0.287 318 L C 0.340 177.112 176.870 -0.163 0.000 1.039 318 L CA -0.138 54.596 54.840 -0.177 0.000 0.829 318 L CB 1.406 43.336 42.059 -0.215 0.000 1.211 318 L HN 0.815 nan 8.230 nan 0.000 0.427 319 T N -1.552 112.940 114.554 -0.104 0.000 3.630 319 T HA 0.386 4.736 4.350 0.000 0.000 0.238 319 T C 0.634 175.341 174.700 0.011 0.000 1.195 319 T CA -0.214 61.866 62.100 -0.034 0.000 1.433 319 T CB 1.061 69.913 68.868 -0.027 0.000 0.940 319 T HN 0.522 nan 8.240 nan 0.000 0.641 320 A N 0.769 123.605 122.820 0.026 0.000 2.345 320 A HA 0.794 5.115 4.320 0.000 0.000 0.225 320 A C 1.297 178.954 177.584 0.123 0.000 1.243 320 A CA 0.023 52.098 52.037 0.063 0.000 0.875 320 A CB -0.563 18.468 19.000 0.051 0.000 0.929 320 A HN 1.700 nan 8.150 nan 0.000 0.502 321 G N -2.610 106.258 108.800 0.113 0.000 2.587 321 G HA2 0.318 4.278 3.960 0.000 0.000 0.686 321 G HA3 0.318 4.278 3.960 0.000 0.000 0.686 321 G C 0.676 175.663 174.900 0.144 0.000 1.236 321 G CA -0.291 44.879 45.100 0.116 0.000 0.820 321 G HN 1.239 nan 8.290 nan 0.000 0.645 322 A N -0.054 122.837 122.820 0.118 0.000 1.978 322 A HA 0.163 4.483 4.320 0.000 0.000 0.220 322 A C 2.611 180.268 177.584 0.122 0.000 1.170 322 A CA 3.255 55.355 52.037 0.106 0.000 0.636 322 A CB -0.328 18.709 19.000 0.062 0.000 0.810 322 A HN 1.583 nan 8.150 nan 0.000 0.448 323 V N -1.152 118.794 119.914 0.055 0.000 2.331 323 V HA -0.182 3.938 4.120 0.000 0.000 0.242 323 V C 2.194 178.311 176.094 0.038 0.000 1.034 323 V CA 2.085 64.386 62.300 0.002 0.000 1.027 323 V CB -0.990 30.725 31.823 -0.180 0.000 0.667 323 V HN 0.740 nan 8.190 nan 0.000 0.457 324 H N -0.296 118.847 119.070 0.121 0.000 2.502 324 H HA -0.024 4.532 4.556 0.000 0.000 0.283 324 H C 2.251 177.577 175.328 -0.004 0.000 1.015 324 H CA 0.884 56.962 56.048 0.050 0.000 1.298 324 H CB 0.139 29.911 29.762 0.016 0.000 1.411 324 H HN 0.322 nan 8.280 nan 0.000 0.556 325 N N -0.051 118.726 118.700 0.128 0.000 2.058 325 N HA -0.122 4.619 4.740 0.000 0.000 0.191 325 N C 1.830 177.327 175.510 -0.022 0.000 1.037 325 N CA 1.845 54.907 53.050 0.019 0.000 0.848 325 N CB -0.538 37.958 38.487 0.016 0.000 1.021 325 N HN 0.316 nan 8.380 nan 0.000 0.422 326 T N 1.045 115.663 114.554 0.105 0.000 2.684 326 T HA -0.209 4.141 4.350 0.000 0.000 0.267 326 T C 1.843 176.394 174.700 -0.248 0.000 1.036 326 T CA 1.301 63.450 62.100 0.082 0.000 1.148 326 T CB -0.393 68.671 68.868 0.326 0.000 0.863 326 T HN 0.343 nan 8.240 nan 0.000 0.436 327 Q N 0.376 119.904 119.800 -0.452 0.000 2.096 327 Q HA -0.141 4.199 4.340 0.000 0.000 0.208 327 Q C 2.336 178.042 176.000 -0.489 0.000 0.993 327 Q CA 1.460 56.670 55.803 -0.990 0.000 0.862 327 Q CB -0.353 28.166 28.738 -0.365 0.000 0.915 327 Q HN 0.505 nan 8.270 nan 0.000 0.416 328 L N 0.109 121.183 121.223 -0.247 0.000 2.046 328 L HA -0.204 4.137 4.340 0.000 0.000 0.208 328 L C 2.319 179.089 176.870 -0.167 0.000 1.077 328 L CA 0.905 55.640 54.840 -0.176 0.000 0.747 328 L CB -0.122 41.854 42.059 -0.138 0.000 0.896 328 L HN 0.340 nan 8.230 nan 0.000 0.432 329 L N -1.511 119.595 121.223 -0.195 0.000 2.056 329 L HA -0.209 4.131 4.340 0.000 0.000 0.207 329 L C 2.400 179.298 176.870 0.046 0.000 1.078 329 L CA 0.832 55.580 54.840 -0.153 0.000 0.749 329 L CB -0.493 41.366 42.059 -0.334 0.000 0.901 329 L HN 0.071 nan 8.230 nan 0.000 0.433 330 V N -0.053 119.814 119.914 -0.077 0.000 2.407 330 V HA -0.261 3.859 4.120 0.000 0.000 0.248 330 V C 2.110 178.171 176.094 -0.056 0.000 1.055 330 V CA 1.989 64.265 62.300 -0.041 0.000 1.049 330 V CB -0.742 31.015 31.823 -0.110 0.000 0.662 330 V HN 0.499 nan 8.190 nan 0.000 0.455 331 N N 0.172 118.796 118.700 -0.127 0.000 2.459 331 N HA -0.104 4.636 4.740 0.000 0.000 0.181 331 N C 1.577 177.052 175.510 -0.057 0.000 1.046 331 N CA 1.178 54.174 53.050 -0.090 0.000 0.904 331 N CB -0.046 38.373 38.487 -0.113 0.000 0.964 331 N HN 0.404 nan 8.380 nan 0.000 0.444 332 S N -1.422 114.270 115.700 -0.014 0.000 2.575 332 S HA 0.298 4.768 4.470 0.000 0.000 0.215 332 S C 1.108 175.687 174.600 -0.034 0.000 0.966 332 S CA 0.319 58.521 58.200 0.003 0.000 0.911 332 S CB 0.444 63.704 63.200 0.101 0.000 0.780 332 S HN 0.561 nan 8.310 nan 0.000 0.514 333 G N 0.999 109.782 108.800 -0.029 0.000 2.144 333 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 333 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 333 G C -0.102 174.676 174.900 -0.204 0.000 0.988 333 G CA -0.581 44.448 45.100 -0.120 0.000 0.659 333 G HN 0.393 nan 8.290 nan 0.000 0.522 334 F N 0.733 120.648 119.950 -0.057 0.000 2.370 334 F HA 0.579 5.106 4.527 0.000 0.000 0.324 334 F C 1.637 177.442 175.800 0.008 0.000 1.116 334 F CA 0.894 58.875 58.000 -0.032 0.000 1.123 334 F CB 0.887 39.840 39.000 -0.079 0.000 1.238 334 F HN 0.748 nan 8.300 nan 0.000 0.536 335 G N 1.584 110.521 108.800 0.229 0.000 2.582 335 G HA2 -0.301 3.659 3.960 0.000 0.000 0.288 335 G HA3 -0.301 3.659 3.960 0.000 0.000 0.288 335 G C -0.676 174.295 174.900 0.119 0.000 1.247 335 G CA 0.037 45.240 45.100 0.173 0.000 0.972 335 G HN 0.799 nan 8.290 nan 0.000 0.557 336 Q N -1.003 118.875 119.800 0.131 0.000 2.304 336 Q HA 0.600 4.940 4.340 0.000 0.000 0.270 336 Q C -0.914 175.171 176.000 0.141 0.000 1.035 336 Q CA -1.003 54.858 55.803 0.098 0.000 0.781 336 Q CB 1.697 30.471 28.738 0.061 0.000 1.261 336 Q HN 0.741 nan 8.270 nan 0.000 0.444 337 L N 3.490 124.784 121.223 0.118 0.000 2.397 337 L HA 0.713 5.053 4.340 0.000 0.000 0.271 337 L C 0.342 177.297 176.870 0.141 0.000 1.148 337 L CA 1.881 56.818 54.840 0.161 0.000 0.825 337 L CB 0.906 43.031 42.059 0.111 0.000 1.117 337 L HN 0.816 nan 8.230 nan 0.000 0.456 338 G N 3.688 112.630 108.800 0.238 0.000 2.710 338 G HA2 -0.201 3.759 3.960 0.000 0.000 0.668 338 G HA3 -0.201 3.759 3.960 0.000 0.000 0.668 338 G C -0.540 174.252 174.900 -0.179 0.000 1.320 338 G CA -0.285 44.909 45.100 0.156 0.000 0.860 338 G HN 0.924 nan 8.290 nan 0.000 0.538 339 R N 0.767 120.942 120.500 -0.543 0.000 2.502 339 R HA 0.328 4.669 4.340 0.000 0.000 0.292 339 R C -1.905 173.951 176.300 -0.739 0.000 0.998 339 R CA -0.421 54.942 56.100 -1.229 0.000 1.056 339 R CB -0.033 29.874 30.300 -0.656 0.000 0.939 339 R HN 0.341 nan 8.270 nan 0.000 0.411 340 P HA -0.019 nan 4.420 nan 0.000 0.263 340 P C -1.435 175.704 177.300 -0.268 0.000 1.195 340 P CA 0.305 63.158 63.100 -0.411 0.000 0.762 340 P CB 0.370 31.846 31.700 -0.374 0.000 0.799 341 N N 2.242 120.842 118.700 -0.167 0.000 2.480 341 N HA 0.368 5.108 4.740 0.000 0.000 0.289 341 N C -2.300 173.167 175.510 -0.072 0.000 1.073 341 N CA -1.852 51.129 53.050 -0.115 0.000 0.885 341 N CB 1.763 40.189 38.487 -0.103 0.000 1.421 341 N HN -0.024 nan 8.380 nan 0.000 0.503 342 P HA -0.189 nan 4.420 nan 0.000 0.216 342 P C 1.348 178.631 177.300 -0.027 0.000 1.150 342 P CA 1.462 64.539 63.100 -0.038 0.000 0.837 342 P CB 0.047 31.726 31.700 -0.036 0.000 0.786 343 T N -5.021 109.515 114.554 -0.030 0.000 3.051 343 T HA -0.041 4.309 4.350 0.000 0.000 0.269 343 T C 0.974 175.663 174.700 -0.019 0.000 1.127 343 T CA 0.726 62.813 62.100 -0.022 0.000 1.107 343 T CB -0.645 68.209 68.868 -0.023 0.000 0.898 343 T HN -0.073 nan 8.240 nan 0.000 0.517 344 N N 2.880 121.567 118.700 -0.022 0.000 2.918 344 N HA 0.309 5.049 4.740 0.000 0.000 0.270 344 N C -2.964 172.540 175.510 -0.010 0.000 1.536 344 N CA -1.269 51.771 53.050 -0.016 0.000 0.877 344 N CB 1.591 40.067 38.487 -0.019 0.000 1.190 344 N HN 0.394 nan 8.380 nan 0.000 0.492 345 P HA 0.179 nan 4.420 nan 0.000 0.268 345 P C -2.500 174.807 177.300 0.012 0.000 1.204 345 P CA -0.708 62.396 63.100 0.007 0.000 0.768 345 P CB 0.111 31.818 31.700 0.010 0.000 0.842 346 P HA 0.143 nan 4.420 nan 0.000 0.275 346 P C 0.967 178.283 177.300 0.026 0.000 1.228 346 P CA -0.150 62.967 63.100 0.027 0.000 0.786 346 P CB 1.198 32.928 31.700 0.049 0.000 0.927 347 E N 1.665 121.871 120.200 0.010 0.000 2.033 347 E HA -0.145 4.206 4.350 0.000 0.000 0.199 347 E C 0.078 176.694 176.600 0.027 0.000 1.011 347 E CA 1.238 57.640 56.400 0.004 0.000 0.815 347 E CB -0.086 29.599 29.700 -0.024 0.000 0.755 347 E HN 0.422 nan 8.360 nan 0.000 0.451 348 L N 0.523 121.766 121.223 0.032 0.000 2.334 348 L HA 0.297 4.637 4.340 0.000 0.000 0.276 348 L C -0.141 176.838 176.870 0.183 0.000 1.014 348 L CA -0.966 53.934 54.840 0.100 0.000 0.815 348 L CB 1.679 43.743 42.059 0.009 0.000 1.268 348 L HN 0.178 nan 8.230 nan 0.000 0.428 349 L N 2.854 124.219 121.223 0.237 0.000 3.887 349 L HA -0.182 4.159 4.340 0.000 0.000 0.546 349 L C -1.429 175.554 176.870 0.189 0.000 1.196 349 L CA -0.470 54.515 54.840 0.242 0.000 0.777 349 L CB -0.865 41.379 42.059 0.309 0.000 1.346 349 L HN 0.607 nan 8.230 nan 0.000 0.810 350 P HA -0.110 nan 4.420 nan 0.000 0.222 350 P C 1.343 178.739 177.300 0.160 0.000 1.147 350 P CA 0.992 64.169 63.100 0.129 0.000 0.790 350 P CB 0.321 32.080 31.700 0.098 0.000 0.780 351 S N -0.648 115.168 115.700 0.192 0.000 2.562 351 S HA 0.042 4.512 4.470 0.000 0.000 0.221 351 S C 0.849 175.608 174.600 0.265 0.000 0.975 351 S CA -0.343 58.016 58.200 0.265 0.000 0.918 351 S CB -0.776 62.573 63.200 0.247 0.000 0.772 351 S HN 0.064 nan 8.310 nan 0.000 0.531 352 L N 2.102 123.460 121.223 0.225 0.000 2.534 352 L HA 0.397 4.737 4.340 0.000 0.000 0.271 352 L C 1.137 178.148 176.870 0.235 0.000 1.178 352 L CA 1.073 56.049 54.840 0.226 0.000 0.907 352 L CB -0.274 41.909 42.059 0.206 0.000 1.164 352 L HN 0.305 nan 8.230 nan 0.000 0.482 353 G N 2.343 111.291 108.800 0.245 0.000 2.162 353 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 353 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 353 G C 0.447 175.468 174.900 0.201 0.000 0.976 353 G CA 0.342 45.585 45.100 0.238 0.000 0.655 353 G HN 0.805 nan 8.290 nan 0.000 0.533 354 S N -1.523 114.299 115.700 0.203 0.000 2.747 354 S HA 0.633 5.103 4.470 0.000 0.000 0.300 354 S C 0.493 175.222 174.600 0.216 0.000 1.121 354 S CA 0.094 58.346 58.200 0.086 0.000 0.995 354 S CB 0.653 63.810 63.200 -0.072 0.000 1.113 354 S HN 0.930 nan 8.310 nan 0.000 0.547 355 Y N -0.952 119.420 120.300 0.120 0.000 3.825 355 Y HA -0.211 4.339 4.550 0.000 0.000 0.221 355 Y C 0.500 176.485 175.900 0.142 0.000 1.195 355 Y CA 0.180 58.350 58.100 0.117 0.000 1.699 355 Y CB -2.197 36.325 38.460 0.103 0.000 1.531 355 Y HN 0.570 nan 8.280 nan 0.000 0.640 356 I N -0.272 120.447 120.570 0.249 0.000 2.696 356 I HA 0.493 4.663 4.170 0.000 0.000 0.284 356 I C 0.614 176.888 176.117 0.262 0.000 1.129 356 I CA 0.330 61.772 61.300 0.236 0.000 1.410 356 I CB 1.309 39.444 38.000 0.224 0.000 1.399 356 I HN 0.193 nan 8.210 nan 0.000 0.579 357 T N 1.812 116.476 114.554 0.184 0.000 2.848 357 T HA 0.633 4.983 4.350 0.000 0.000 0.285 357 T C -0.644 174.062 174.700 0.010 0.000 0.995 357 T CA -0.709 61.488 62.100 0.161 0.000 0.970 357 T CB 1.969 70.890 68.868 0.088 0.000 0.976 357 T HN 0.806 nan 8.240 nan 0.000 0.441 358 E N 1.574 121.733 120.200 -0.069 0.000 2.312 358 E HA 0.413 4.763 4.350 0.000 0.000 0.267 358 E C -0.938 175.749 176.600 0.145 0.000 0.894 358 E CA -0.673 55.659 56.400 -0.113 0.000 0.773 358 E CB 1.847 31.280 29.700 -0.446 0.000 1.241 358 E HN 0.702 nan 8.360 nan 0.000 0.432 359 Q N 0.981 120.884 119.800 0.172 0.000 2.259 359 Q HA 0.474 4.815 4.340 0.000 0.000 0.246 359 Q C -0.433 175.761 176.000 0.324 0.000 0.920 359 Q CA -0.726 55.233 55.803 0.259 0.000 0.895 359 Q CB 1.487 30.393 28.738 0.280 0.000 1.220 359 Q HN 0.436 nan 8.270 nan 0.000 0.439 360 S N 1.405 117.240 115.700 0.225 0.000 2.562 360 S HA 0.260 4.730 4.470 0.000 0.000 0.281 360 S C -0.675 173.986 174.600 0.101 0.000 1.333 360 S CA -0.339 57.885 58.200 0.040 0.000 1.052 360 S CB 0.272 63.421 63.200 -0.085 0.000 0.884 360 S HN 0.359 nan 8.310 nan 0.000 0.506 361 L N 4.934 126.185 121.223 0.047 0.000 2.439 361 L HA 0.657 4.997 4.340 0.000 0.000 0.270 361 L C -0.804 175.941 176.870 -0.207 0.000 0.972 361 L CA -0.630 54.139 54.840 -0.117 0.000 0.836 361 L CB 1.554 43.538 42.059 -0.125 0.000 1.255 361 L HN 0.457 nan 8.230 nan 0.000 0.404 362 V N 2.039 121.748 119.914 -0.343 0.000 2.667 362 V HA 0.760 4.880 4.120 0.000 0.000 0.308 362 V C -0.997 174.978 176.094 -0.198 0.000 1.048 362 V CA -0.677 61.342 62.300 -0.468 0.000 0.928 362 V CB 1.725 33.071 31.823 -0.794 0.000 1.004 362 V HN 0.768 nan 8.190 nan 0.000 0.444 363 F N 4.562 124.314 119.950 -0.329 0.000 2.591 363 F HA 0.872 5.399 4.527 0.000 0.000 0.309 363 F C -0.371 175.306 175.800 -0.204 0.000 1.098 363 F CA -0.228 57.662 58.000 -0.183 0.000 0.937 363 F CB 1.536 40.472 39.000 -0.108 0.000 1.250 363 F HN 1.221 nan 8.300 nan 0.000 0.447 364 C N 2.694 121.401 119.300 -0.989 0.000 3.320 364 C HA 0.794 5.254 4.460 0.000 0.000 0.335 364 C C -1.751 172.694 174.990 -0.909 0.000 1.430 364 C CA -0.729 57.660 59.018 -1.049 0.000 1.271 364 C CB 1.692 29.034 27.740 -0.662 0.000 1.609 364 C HN 0.948 nan 8.230 nan 0.000 0.457 365 Q N 0.618 120.115 119.800 -0.506 0.000 2.387 365 Q HA 0.752 5.092 4.340 0.000 0.000 0.273 365 Q C -0.517 175.500 176.000 0.028 0.000 1.089 365 Q CA -0.221 55.510 55.803 -0.120 0.000 0.824 365 Q CB 2.672 31.337 28.738 -0.122 0.000 1.367 365 Q HN 0.938 nan 8.270 nan 0.000 0.443 366 T N -2.256 112.393 114.554 0.159 0.000 2.924 366 T HA 0.768 5.118 4.350 0.000 0.000 0.291 366 T C -0.159 174.592 174.700 0.085 0.000 1.045 366 T CA -0.613 61.553 62.100 0.111 0.000 1.015 366 T CB 1.246 70.188 68.868 0.124 0.000 1.103 366 T HN 0.280 nan 8.240 nan 0.000 0.496 370 T N 1.690 116.241 114.554 -0.005 0.000 2.699 370 T HA -0.146 4.204 4.350 0.000 0.000 0.268 370 T C 1.526 176.233 174.700 0.011 0.000 1.036 370 T CA 2.205 64.307 62.100 0.004 0.000 1.147 370 T CB -0.637 68.229 68.868 -0.003 0.000 0.862 370 T HN 0.775 nan 8.240 nan 0.000 0.446 371 E N 0.359 120.562 120.200 0.005 0.000 2.038 371 E HA -0.115 4.235 4.350 0.000 0.000 0.195 371 E C 2.156 178.773 176.600 0.028 0.000 1.000 371 E CA 1.038 57.444 56.400 0.010 0.000 0.803 371 E CB -0.233 29.465 29.700 -0.003 0.000 0.750 371 E HN 0.412 nan 8.360 nan 0.000 0.448 372 L N 0.421 121.663 121.223 0.032 0.000 2.046 372 L HA -0.201 4.139 4.340 0.000 0.000 0.208 372 L C 2.362 179.273 176.870 0.069 0.000 1.077 372 L CA 0.511 55.385 54.840 0.057 0.000 0.747 372 L CB -0.323 41.768 42.059 0.054 0.000 0.896 372 L HN 0.298 nan 8.230 nan 0.000 0.432 373 I N -0.086 120.512 120.570 0.047 0.000 2.226 373 I HA -0.276 3.894 4.170 0.000 0.000 0.245 373 I C 2.174 178.325 176.117 0.056 0.000 1.100 373 I CA 1.482 62.808 61.300 0.043 0.000 1.374 373 I CB -1.188 36.829 38.000 0.028 0.000 1.057 373 I HN 0.271 nan 8.210 nan 0.000 0.413 374 D N 0.532 120.964 120.400 0.052 0.000 2.117 374 D HA -0.152 4.488 4.640 0.000 0.000 0.197 374 D C 2.383 178.733 176.300 0.083 0.000 0.987 374 D CA 1.712 55.747 54.000 0.057 0.000 0.829 374 D CB -0.196 40.628 40.800 0.040 0.000 0.961 374 D HN 0.337 nan 8.370 nan 0.000 0.460 375 S N 0.188 115.946 115.700 0.097 0.000 2.400 375 S HA -0.141 4.329 4.470 0.000 0.000 0.232 375 S C 2.171 176.929 174.600 0.263 0.000 1.025 375 S CA 1.046 59.337 58.200 0.153 0.000 0.993 375 S CB -0.496 62.785 63.200 0.134 0.000 0.808 375 S HN 0.086 nan 8.310 nan 0.000 0.478 376 V N 3.117 123.152 119.914 0.203 0.000 2.324 376 V HA -0.206 3.914 4.120 0.000 0.000 0.250 376 V C 2.276 178.498 176.094 0.214 0.000 1.060 376 V CA 2.302 64.737 62.300 0.224 0.000 1.042 376 V CB -0.867 31.008 31.823 0.086 0.000 0.650 376 V HN 0.832 nan 8.190 nan 0.000 0.450 377 K N 0.561 121.051 120.400 0.149 0.000 2.493 377 K HA 0.170 4.490 4.320 0.000 0.000 0.207 377 K C 1.640 178.306 176.600 0.110 0.000 1.033 377 K CA 0.703 57.063 56.287 0.123 0.000 1.161 377 K CB 0.142 32.697 32.500 0.091 0.000 0.873 377 K HN 0.448 nan 8.250 nan 0.000 0.491 378 S N 0.027 115.808 115.700 0.135 0.000 2.419 378 S HA -0.136 4.334 4.470 0.000 0.000 0.235 378 S C 0.437 175.057 174.600 0.034 0.000 1.019 378 S CA 0.797 59.040 58.200 0.072 0.000 0.982 378 S CB -0.322 62.903 63.200 0.041 0.000 0.789 378 S HN 0.335 nan 8.310 nan 0.000 0.490 382 I N 3.513 124.062 120.570 -0.034 0.000 2.410 382 I HA 0.531 4.701 4.170 0.000 0.000 0.286 382 I C 0.063 176.148 176.117 -0.053 0.000 1.009 382 I CA -0.633 60.620 61.300 -0.079 0.000 1.111 382 I CB 1.267 39.263 38.000 -0.006 0.000 1.262 382 I HN 0.305 nan 8.210 nan 0.000 0.443 383 R N 4.568 125.006 120.500 -0.103 0.000 2.740 383 R HA 0.850 5.190 4.340 0.000 0.000 0.282 383 R C 0.051 176.368 176.300 0.027 0.000 0.969 383 R CA -0.843 55.240 56.100 -0.028 0.000 0.918 383 R CB 1.985 32.265 30.300 -0.032 0.000 1.175 383 R HN 0.811 nan 8.270 nan 0.000 0.464 384 G N 0.893 109.755 108.800 0.103 0.000 2.698 384 G HA2 -0.238 3.722 3.960 0.000 0.000 0.225 384 G HA3 -0.238 3.722 3.960 0.000 0.000 0.225 384 G C -0.937 174.126 174.900 0.272 0.000 1.345 384 G CA -0.711 44.494 45.100 0.174 0.000 0.871 384 G HN 0.540 nan 8.290 nan 0.000 0.540 385 T N 2.696 117.368 114.554 0.198 0.000 2.797 385 T HA 0.628 4.978 4.350 0.000 0.000 0.279 385 T C -2.516 172.059 174.700 -0.209 0.000 0.991 385 T CA -0.864 61.261 62.100 0.043 0.000 0.979 385 T CB 1.969 70.837 68.868 -0.000 0.000 0.943 385 T HN 0.523 nan 8.240 nan 0.000 0.444 386 P HA 0.144 nan 4.420 nan 0.000 0.261 386 P C 1.177 178.233 177.300 -0.407 0.000 1.173 386 P CA 1.244 63.768 63.100 -0.961 0.000 0.760 386 P CB 0.175 31.492 31.700 -0.638 0.000 0.783 387 G N 1.910 110.522 108.800 -0.313 0.000 2.284 387 G HA2 -0.229 3.731 3.960 0.000 0.000 0.230 387 G HA3 -0.229 3.731 3.960 0.000 0.000 0.230 387 G C 0.317 175.180 174.900 -0.061 0.000 1.021 387 G CA -0.223 44.798 45.100 -0.132 0.000 0.619 387 G HN 0.538 nan 8.290 nan 0.000 0.510 388 E N 0.091 120.263 120.200 -0.047 0.000 2.421 388 E HA 0.457 4.807 4.350 0.000 0.000 0.253 388 E C 2.003 178.635 176.600 0.054 0.000 1.277 388 E CA 0.110 56.519 56.400 0.016 0.000 0.968 388 E CB 0.303 30.027 29.700 0.039 0.000 1.040 388 E HN 0.461 nan 8.360 nan 0.000 0.512 389 L N -1.459 119.793 121.223 0.049 0.000 2.209 389 L HA 0.030 4.370 4.340 0.000 0.000 0.207 389 L C 2.196 179.106 176.870 0.066 0.000 1.094 389 L CA 0.966 55.836 54.840 0.049 0.000 0.790 389 L CB -0.541 41.536 42.059 0.030 0.000 0.932 389 L HN 0.419 nan 8.230 nan 0.000 0.447 390 T N -1.383 113.216 114.554 0.075 0.000 3.113 390 T HA -0.034 4.316 4.350 0.000 0.000 0.256 390 T C 0.386 175.145 174.700 0.099 0.000 1.131 390 T CA -0.297 61.844 62.100 0.068 0.000 1.074 390 T CB -0.414 68.485 68.868 0.052 0.000 0.944 390 T HN 0.290 nan 8.240 nan 0.000 0.516 391 Y N 3.043 123.343 120.300 -0.001 0.000 2.632 391 Y HA 0.385 4.935 4.550 0.000 0.000 0.329 391 Y C 0.263 176.163 175.900 -0.000 0.000 1.174 391 Y CA -0.409 57.690 58.100 -0.000 0.000 1.469 391 Y CB 0.146 38.604 38.460 -0.003 0.000 1.242 391 Y HN 0.120 nan 8.280 nan 0.000 0.540 392 S N 5.426 120.864 115.700 -0.437 0.000 2.540 392 S HA 0.799 5.269 4.470 0.000 0.000 0.275 392 S C -1.989 172.327 174.600 -0.474 0.000 1.123 392 S CA -0.734 57.253 58.200 -0.356 0.000 0.907 392 S CB 1.211 64.317 63.200 -0.157 0.000 1.081 392 S HN 0.474 nan 8.310 nan 0.000 0.476 393 V N 3.636 123.352 119.914 -0.329 0.000 2.531 393 V HA 0.777 4.897 4.120 0.000 0.000 0.301 393 V C 0.025 176.086 176.094 -0.056 0.000 1.034 393 V CA -0.438 61.744 62.300 -0.195 0.000 0.865 393 V CB 1.301 33.035 31.823 -0.148 0.000 0.995 393 V HN 1.118 nan 8.190 nan 0.000 0.424 394 T N 1.413 115.960 114.554 -0.011 0.000 2.883 394 T HA 0.878 5.228 4.350 0.000 0.000 0.296 394 T C -1.000 173.778 174.700 0.129 0.000 1.117 394 T CA -0.822 61.293 62.100 0.024 0.000 1.006 394 T CB 2.258 71.095 68.868 -0.052 0.000 1.191 394 T HN 0.853 nan 8.240 nan 0.000 0.508 395 Y N -1.907 118.384 120.300 -0.015 0.000 2.615 395 Y HA 0.747 5.297 4.550 0.000 0.000 0.341 395 Y C -0.813 175.081 175.900 -0.011 0.000 1.089 395 Y CA -1.291 56.803 58.100 -0.010 0.000 1.049 395 Y CB 0.965 39.427 38.460 0.003 0.000 1.296 395 Y HN 0.621 nan 8.280 nan 0.000 0.470 396 T N 4.071 118.639 114.554 0.024 0.000 2.727 396 T HA 0.312 4.662 4.350 0.000 0.000 0.298 396 T C -2.764 171.960 174.700 0.040 0.000 0.942 396 T CA -1.316 60.746 62.100 -0.063 0.000 0.997 396 T CB 0.478 69.340 68.868 -0.010 0.000 0.917 396 T HN 0.352 nan 8.240 nan 0.000 0.487 397 P HA 0.177 nan 4.420 nan 0.000 0.257 397 P C 1.067 178.415 177.300 0.079 0.000 1.189 397 P CA 0.924 64.076 63.100 0.088 0.000 0.780 397 P CB -0.037 31.651 31.700 -0.020 0.000 0.772 398 G N 2.813 111.678 108.800 0.107 0.000 2.175 398 G HA2 -0.193 3.767 3.960 0.000 0.000 0.244 398 G HA3 -0.193 3.767 3.960 0.000 0.000 0.244 398 G C 0.447 175.363 174.900 0.027 0.000 0.982 398 G CA -0.147 44.986 45.100 0.055 0.000 0.641 398 G HN 0.818 nan 8.290 nan 0.000 0.527 399 A N 0.394 123.231 122.820 0.028 0.000 2.567 399 A HA 0.584 4.904 4.320 0.000 0.000 0.240 399 A C 1.538 179.115 177.584 -0.013 0.000 1.053 399 A CA 1.469 53.509 52.037 0.006 0.000 0.755 399 A CB 0.390 19.395 19.000 0.009 0.000 0.978 399 A HN 1.052 nan 8.150 nan 0.000 0.507 400 S N 0.666 116.355 115.700 -0.019 0.000 2.561 400 S HA -0.066 4.404 4.470 0.000 0.000 0.225 400 S C 1.883 176.454 174.600 -0.048 0.000 0.977 400 S CA 1.311 59.492 58.200 -0.031 0.000 0.926 400 S CB -0.332 62.854 63.200 -0.024 0.000 0.769 400 S HN 1.039 nan 8.310 nan 0.000 0.533 401 T N -0.587 113.940 114.554 -0.046 0.000 3.129 401 T HA 0.164 4.514 4.350 0.000 0.000 0.251 401 T C 0.435 175.081 174.700 -0.090 0.000 1.117 401 T CA -0.277 61.787 62.100 -0.061 0.000 1.034 401 T CB -0.281 68.560 68.868 -0.045 0.000 0.968 401 T HN 0.060 nan 8.240 nan 0.000 0.526 402 N N 2.444 121.088 118.700 -0.093 0.000 2.483 402 N HA 0.176 4.916 4.740 0.000 0.000 0.264 402 N C 0.973 176.330 175.510 -0.256 0.000 1.197 402 N CA -0.246 52.716 53.050 -0.147 0.000 0.927 402 N CB 1.038 39.460 38.487 -0.108 0.000 1.065 402 N HN 0.180 nan 8.380 nan 0.000 0.461 403 K N 1.187 121.336 120.400 -0.419 0.000 2.365 403 K HA 0.024 4.344 4.320 0.000 0.000 0.197 403 K C -0.037 176.003 176.600 -0.934 0.000 1.042 403 K CA 0.807 56.694 56.287 -0.668 0.000 0.987 403 K CB 0.102 32.105 32.500 -0.829 0.000 0.779 403 K HN 0.566 nan 8.250 nan 0.000 0.484 404 H N 0.177 118.937 119.070 -0.517 0.000 2.679 404 H HA 0.314 4.870 4.556 0.000 0.000 0.367 404 H C -2.356 172.645 175.328 -0.546 0.000 1.162 404 H CA -2.521 53.044 56.048 -0.804 0.000 1.181 404 H CB 1.550 30.413 29.762 -1.497 0.000 1.693 404 H HN -0.129 nan 8.280 nan 0.000 0.538 405 P HA 0.004 nan 4.420 nan 0.000 0.272 405 P C 0.369 177.493 177.300 -0.292 0.000 1.230 405 P CA -0.248 62.695 63.100 -0.262 0.000 0.788 405 P CB 1.402 32.985 31.700 -0.195 0.000 0.949 406 D N 0.612 120.972 120.400 -0.067 0.000 2.133 406 D HA -0.163 4.477 4.640 0.000 0.000 0.195 406 D C 1.888 178.204 176.300 0.028 0.000 0.997 406 D CA 1.436 55.460 54.000 0.039 0.000 0.840 406 D CB -0.466 40.456 40.800 0.204 0.000 0.947 406 D HN 0.625 nan 8.370 nan 0.000 0.452 407 W N 0.042 121.408 121.300 0.110 0.000 2.425 407 W HA -0.115 4.545 4.660 0.000 0.000 0.277 407 W C 1.869 178.464 176.519 0.127 0.000 1.231 407 W CA 0.144 57.554 57.345 0.109 0.000 1.248 407 W CB -1.246 28.275 29.460 0.101 0.000 1.117 407 W HN 0.084 nan 8.180 nan 0.000 0.568 408 W N 3.401 124.204 121.300 -0.827 0.000 2.481 408 W HA -0.043 4.617 4.660 0.000 0.000 0.293 408 W C 1.729 177.946 176.519 -0.502 0.000 1.201 408 W CA 1.135 57.962 57.345 -0.864 0.000 1.328 408 W CB -1.023 27.670 29.460 -1.279 0.000 1.112 408 W HN -0.179 nan 8.180 nan 0.000 0.546 409 N N 1.263 119.886 118.700 -0.129 0.000 2.166 409 N HA -0.199 4.541 4.740 0.000 0.000 0.186 409 N C 1.494 176.715 175.510 -0.482 0.000 1.019 409 N CA 1.940 54.714 53.050 -0.461 0.000 0.856 409 N CB -0.623 37.177 38.487 -1.146 0.000 0.993 409 N HN 0.218 nan 8.380 nan 0.000 0.426 410 E N 1.370 121.415 120.200 -0.258 0.000 2.077 410 E HA -0.072 4.279 4.350 0.000 0.000 0.193 410 E C 1.645 178.289 176.600 0.074 0.000 0.989 410 E CA 1.335 57.782 56.400 0.079 0.000 0.800 410 E CB 0.048 29.876 29.700 0.213 0.000 0.746 410 E HN 0.249 nan 8.360 nan 0.000 0.452 411 K N -0.570 119.856 120.400 0.043 0.000 2.057 411 K HA -0.075 4.245 4.320 0.000 0.000 0.206 411 K C 2.095 178.694 176.600 -0.002 0.000 1.050 411 K CA 1.273 57.579 56.287 0.032 0.000 0.935 411 K CB -0.095 32.411 32.500 0.010 0.000 0.715 411 K HN 0.019 nan 8.250 nan 0.000 0.439 412 V N 1.969 121.847 119.914 -0.060 0.000 2.295 412 V HA -0.278 3.842 4.120 0.000 0.000 0.246 412 V C 2.366 178.496 176.094 0.060 0.000 1.049 412 V CA 1.697 63.983 62.300 -0.024 0.000 1.024 412 V CB -0.420 31.385 31.823 -0.029 0.000 0.648 412 V HN 0.346 nan 8.190 nan 0.000 0.447 413 K N 0.465 120.903 120.400 0.063 0.000 2.032 413 K HA -0.247 4.073 4.320 0.000 0.000 0.209 413 K C 1.911 178.564 176.600 0.089 0.000 1.048 413 K CA 2.368 58.719 56.287 0.108 0.000 0.927 413 K CB -0.333 32.295 32.500 0.213 0.000 0.712 413 K HN 0.605 nan 8.250 nan 0.000 0.441 414 N N -0.563 118.193 118.700 0.093 0.000 2.244 414 N HA -0.152 4.588 4.740 0.000 0.000 0.183 414 N C 0.931 176.475 175.510 0.056 0.000 1.016 414 N CA 0.345 53.437 53.050 0.069 0.000 0.866 414 N CB -0.166 38.369 38.487 0.079 0.000 0.980 414 N HN 0.284 nan 8.380 nan 0.000 0.430 419 H N 1.295 120.235 119.070 -0.217 0.000 2.336 419 H HA 0.269 4.825 4.556 0.000 0.000 0.230 419 H C 0.070 175.279 175.328 -0.198 0.000 1.426 419 H CA -0.042 55.869 56.048 -0.229 0.000 1.359 419 H CB 0.631 30.133 29.762 -0.434 0.000 1.555 419 H HN 0.240 nan 8.280 nan 0.000 0.512 420 Q N 0.381 120.151 119.800 -0.050 0.000 2.436 420 Q HA -0.101 4.239 4.340 0.000 0.000 0.209 420 Q C 0.648 176.589 176.000 -0.099 0.000 0.965 420 Q CA 0.999 56.743 55.803 -0.098 0.000 0.910 420 Q CB 0.329 28.976 28.738 -0.152 0.000 0.980 420 Q HN 0.526 nan 8.270 nan 0.000 0.491 421 E N 0.422 120.610 120.200 -0.021 0.000 2.489 421 E HA 0.027 4.377 4.350 0.000 0.000 0.193 421 E C -0.378 176.244 176.600 0.037 0.000 1.057 421 E CA 0.146 56.546 56.400 -0.000 0.000 0.866 421 E CB 0.088 29.806 29.700 0.029 0.000 0.916 421 E HN 0.103 nan 8.360 nan 0.000 0.500 422 D N 1.242 121.671 120.400 0.048 0.000 2.225 422 D HA 0.137 4.778 4.640 0.000 0.000 0.248 422 D C -1.532 174.810 176.300 0.070 0.000 1.096 422 D CA -2.246 51.809 54.000 0.092 0.000 0.863 422 D CB 1.249 42.106 40.800 0.094 0.000 1.156 422 D HN -0.162 nan 8.370 nan 0.000 0.450 423 P HA 0.135 nan 4.420 nan 0.000 0.255 423 P C -0.299 177.051 177.300 0.083 0.000 1.248 423 P CA 0.147 63.287 63.100 0.067 0.000 0.807 423 P CB 0.375 32.107 31.700 0.053 0.000 1.150 424 L N 1.420 122.712 121.223 0.115 0.000 2.334 424 L HA 0.400 4.740 4.340 0.000 0.000 0.273 424 L C -1.588 175.345 176.870 0.105 0.000 1.013 424 L CA -2.252 52.638 54.840 0.083 0.000 0.816 424 L CB 2.459 44.544 42.059 0.044 0.000 1.278 424 L HN -0.317 nan 8.230 nan 0.000 0.431 425 P HA 0.139 nan 4.420 nan 0.000 0.255 425 P C 0.117 177.297 177.300 -0.200 0.000 1.248 425 P CA 0.458 63.570 63.100 0.021 0.000 0.807 425 P CB 0.327 32.046 31.700 0.032 0.000 1.150 426 I N 2.180 122.560 120.570 -0.318 0.000 2.371 426 I HA 0.233 4.403 4.170 0.000 0.000 0.290 426 I C -2.173 173.509 176.117 -0.724 0.000 1.028 426 I CA -2.797 58.260 61.300 -0.405 0.000 1.345 426 I CB 0.913 38.767 38.000 -0.242 0.000 1.407 426 I HN -0.262 nan 8.210 nan 0.000 0.501 427 P HA 0.003 nan 4.420 nan 0.000 0.266 427 P C 0.407 177.525 177.300 -0.305 0.000 1.195 427 P CA -0.055 62.699 63.100 -0.577 0.000 0.768 427 P CB 0.328 31.912 31.700 -0.193 0.000 0.838 428 F N 0.996 120.857 119.950 -0.148 0.000 2.154 428 F HA -0.153 4.374 4.527 0.000 0.000 0.301 428 F C 1.860 177.638 175.800 -0.036 0.000 1.087 428 F CA 1.559 59.515 58.000 -0.074 0.000 1.274 428 F CB -0.942 38.025 39.000 -0.055 0.000 1.009 428 F HN 0.444 nan 8.300 nan 0.000 0.485 429 E N -0.580 119.722 120.200 0.171 0.000 2.463 429 E HA -0.026 4.324 4.350 0.000 0.000 0.193 429 E C -0.132 176.508 176.600 0.067 0.000 1.041 429 E CA -0.278 56.191 56.400 0.115 0.000 0.879 429 E CB -0.075 29.692 29.700 0.111 0.000 0.997 429 E HN 0.101 nan 8.360 nan 0.000 0.478 430 D N 2.532 122.952 120.400 0.033 0.000 2.570 430 D HA -0.028 4.612 4.640 0.000 0.000 0.243 430 D C -2.309 174.030 176.300 0.065 0.000 1.171 430 D CA -1.047 52.961 54.000 0.014 0.000 0.879 430 D CB 0.655 41.427 40.800 -0.046 0.000 1.143 430 D HN -0.065 nan 8.370 nan 0.000 0.511 431 P HA 0.038 nan 4.420 nan 0.000 0.270 431 P C -0.352 177.084 177.300 0.227 0.000 1.223 431 P CA -0.273 62.935 63.100 0.181 0.000 0.785 431 P CB 0.360 32.157 31.700 0.162 0.000 0.923 432 E N 2.403 122.764 120.200 0.270 0.000 2.404 432 E HA 0.130 4.480 4.350 0.000 0.000 0.261 432 E C -2.271 174.400 176.600 0.119 0.000 1.074 432 E CA -1.935 54.549 56.400 0.140 0.000 0.917 432 E CB -1.018 28.721 29.700 0.065 0.000 0.965 432 E HN 0.315 nan 8.360 nan 0.000 0.433 433 P HA 0.019 nan 4.420 nan 0.000 0.271 433 P C -0.426 176.921 177.300 0.079 0.000 1.218 433 P CA 0.077 63.267 63.100 0.149 0.000 0.780 433 P CB 0.505 32.224 31.700 0.032 0.000 0.901 434 Q N 1.223 121.178 119.800 0.257 0.000 3.394 434 Q HA 0.295 4.635 4.340 0.000 0.000 0.285 434 Q C -0.837 175.275 176.000 0.187 0.000 0.866 434 Q CA -0.394 55.448 55.803 0.065 0.000 0.844 434 Q CB 1.170 29.770 28.738 -0.231 0.000 1.472 434 Q HN 0.204 nan 8.270 nan 0.000 0.401 435 V N 0.694 120.652 119.914 0.074 0.000 2.612 435 V HA 0.723 4.843 4.120 0.000 0.000 0.301 435 V C 0.248 176.362 176.094 0.034 0.000 1.046 435 V CA -0.328 62.006 62.300 0.056 0.000 0.946 435 V CB 1.968 33.758 31.823 -0.056 0.000 1.003 435 V HN 0.477 nan 8.190 nan 0.000 0.459 436 T N 1.657 116.261 114.554 0.083 0.000 2.923 436 T HA 0.471 4.821 4.350 0.000 0.000 0.311 436 T C -0.950 173.701 174.700 -0.082 0.000 1.183 436 T CA -0.326 61.761 62.100 -0.023 0.000 1.020 436 T CB 1.849 70.677 68.868 -0.065 0.000 1.165 436 T HN 0.853 nan 8.240 nan 0.000 0.482 437 T N 4.667 119.023 114.554 -0.331 0.000 2.770 437 T HA 0.618 4.968 4.350 0.000 0.000 0.283 437 T C -0.110 174.439 174.700 -0.253 0.000 0.988 437 T CA -0.632 61.124 62.100 -0.573 0.000 0.957 437 T CB -0.042 68.036 68.868 -1.317 0.000 0.930 437 T HN 0.538 nan 8.240 nan 0.000 0.443 438 L N 4.613 125.766 121.223 -0.117 0.000 2.452 438 L HA 0.384 4.724 4.340 0.000 0.000 0.267 438 L C 0.783 177.640 176.870 -0.021 0.000 1.188 438 L CA -0.908 53.942 54.840 0.017 0.000 0.821 438 L CB 0.245 42.318 42.059 0.023 0.000 1.102 438 L HN 0.676 nan 8.230 nan 0.000 0.470 439 F N 2.927 122.792 119.950 -0.141 0.000 2.537 439 F HA -0.142 4.385 4.527 0.000 0.000 0.402 439 F C 0.347 175.884 175.800 -0.438 0.000 1.005 439 F CA 0.664 58.486 58.000 -0.298 0.000 1.203 439 F CB 0.154 39.038 39.000 -0.193 0.000 0.955 439 F HN 0.442 nan 8.300 nan 0.000 0.547 440 Q N 6.561 125.811 119.800 -0.915 0.000 2.501 440 Q HA 0.252 4.592 4.340 0.000 0.000 0.288 440 Q C -1.993 173.511 176.000 -0.827 0.000 1.051 440 Q CA -1.794 53.584 55.803 -0.709 0.000 0.788 440 Q CB 1.369 29.619 28.738 -0.813 0.000 1.469 440 Q HN 0.245 nan 8.270 nan 0.000 0.416 441 P HA -0.192 nan 4.420 nan 0.000 0.216 441 P C 1.202 178.274 177.300 -0.380 0.000 1.153 441 P CA 2.097 65.005 63.100 -0.319 0.000 0.858 441 P CB 0.225 31.838 31.700 -0.145 0.000 0.789 442 S N -1.403 114.088 115.700 -0.349 0.000 2.489 442 S HA -0.118 4.352 4.470 0.000 0.000 0.228 442 S C 0.613 175.015 174.600 -0.329 0.000 0.995 442 S CA 0.333 58.396 58.200 -0.228 0.000 0.934 442 S CB -1.306 61.859 63.200 -0.059 0.000 0.771 442 S HN 0.441 nan 8.310 nan 0.000 0.522 443 H N -1.259 117.355 119.070 -0.760 0.000 2.490 443 H HA 0.493 5.049 4.556 0.000 0.000 0.230 443 H C -3.194 170.974 175.328 -1.934 0.000 1.417 443 H CA -1.918 53.279 56.048 -1.419 0.000 1.449 443 H CB 0.481 29.674 29.762 -0.949 0.000 1.649 443 H HN 0.083 nan 8.280 nan 0.000 0.519 444 P HA 0.076 nan 4.420 nan 0.000 0.225 444 P C -1.254 175.517 177.300 -0.882 0.000 1.768 444 P CA 0.209 62.246 63.100 -1.771 0.000 0.943 444 P CB -1.108 30.077 31.700 -0.858 0.000 1.936 445 W N -0.528 120.512 121.300 -0.434 0.000 3.167 445 W HA 0.533 5.193 4.660 0.000 0.000 0.324 445 W C -0.992 175.609 176.519 0.138 0.000 1.230 445 W CA -1.314 56.071 57.345 0.067 0.000 1.184 445 W CB 0.113 29.627 29.460 0.089 0.000 1.414 445 W HN -0.014 nan 8.180 nan 0.000 0.551 446 H N 1.173 120.499 119.070 0.426 0.000 2.487 446 H HA 0.688 5.244 4.556 0.000 0.000 0.333 446 H C -0.167 175.316 175.328 0.259 0.000 1.114 446 H CA 0.341 56.541 56.048 0.253 0.000 1.310 446 H CB 1.455 31.313 29.762 0.159 0.000 1.462 446 H HN 0.575 nan 8.280 nan 0.000 0.516 447 T N 2.313 116.551 114.554 -0.528 0.000 2.876 447 T HA 0.508 4.858 4.350 0.000 0.000 0.289 447 T C -0.682 173.749 174.700 -0.447 0.000 1.014 447 T CA -1.111 60.689 62.100 -0.500 0.000 0.986 447 T CB 1.701 70.145 68.868 -0.706 0.000 1.021 447 T HN 0.679 nan 8.240 nan 0.000 0.458 448 Q N 1.659 121.409 119.800 -0.084 0.000 2.285 448 Q HA 0.552 4.892 4.340 0.000 0.000 0.269 448 Q C -1.263 174.721 176.000 -0.027 0.000 1.030 448 Q CA -0.609 55.097 55.803 -0.161 0.000 0.788 448 Q CB 2.549 31.117 28.738 -0.283 0.000 1.266 448 Q HN 0.719 nan 8.270 nan 0.000 0.438 449 I N 3.682 124.178 120.570 -0.123 0.000 2.537 449 I HA 0.364 4.534 4.170 0.000 0.000 0.276 449 I C -0.498 175.556 176.117 -0.105 0.000 1.063 449 I CA -0.299 60.802 61.300 -0.333 0.000 1.144 449 I CB 0.400 38.052 38.000 -0.580 0.000 1.252 449 I HN 0.726 nan 8.210 nan 0.000 0.480 450 H N 3.426 122.350 119.070 -0.243 0.000 2.883 450 H HA 0.655 5.211 4.556 0.000 0.000 0.277 450 H C -1.207 174.076 175.328 -0.075 0.000 1.451 450 H CA -1.350 54.621 56.048 -0.129 0.000 1.157 450 H CB 1.425 31.135 29.762 -0.086 0.000 1.851 450 H HN 0.088 nan 8.280 nan 0.000 0.566 451 R N 1.290 121.638 120.500 -0.255 0.000 2.435 451 R HA 0.282 4.622 4.340 0.000 0.000 0.308 451 R C -1.447 174.705 176.300 -0.248 0.000 0.975 451 R CA -0.661 55.287 56.100 -0.254 0.000 0.867 451 R CB 1.371 31.634 30.300 -0.063 0.000 1.171 451 R HN 0.804 nan 8.270 nan 0.000 0.470 452 D N 0.959 121.182 120.400 -0.294 0.000 2.326 452 D HA 0.499 5.139 4.640 0.000 0.000 0.251 452 D C 0.860 177.253 176.300 0.155 0.000 1.023 452 D CA -0.400 53.544 54.000 -0.092 0.000 0.966 452 D CB 1.722 42.494 40.800 -0.046 0.000 1.156 452 D HN 0.395 nan 8.370 nan 0.000 0.494 453 A N 1.948 124.873 122.820 0.175 0.000 1.840 453 A HA 0.013 4.333 4.320 0.000 0.000 0.214 453 A C 1.121 178.950 177.584 0.408 0.000 1.198 453 A CA 0.492 52.706 52.037 0.295 0.000 0.608 453 A CB -0.972 18.175 19.000 0.244 0.000 0.839 453 A HN 0.600 nan 8.150 nan 0.000 0.443 454 F N 1.275 121.323 119.950 0.164 0.000 2.642 454 F HA 0.218 4.745 4.527 0.000 0.000 0.371 454 F C 1.125 176.952 175.800 0.046 0.000 1.120 454 F CA 1.270 59.317 58.000 0.079 0.000 1.331 454 F CB 0.202 39.212 39.000 0.016 0.000 1.044 454 F HN 0.482 nan 8.300 nan 0.000 0.594 455 S N 4.229 119.463 115.700 -0.776 0.000 3.516 455 S HA -0.243 4.227 4.470 0.000 0.000 0.562 455 S C -1.369 173.130 174.600 -0.168 0.000 0.655 455 S CA 0.121 58.033 58.200 -0.479 0.000 1.400 455 S CB -1.515 61.437 63.200 -0.415 0.000 0.946 455 S HN 0.769 nan 8.310 nan 0.000 0.871 456 Y N 2.295 122.475 120.300 -0.200 0.000 2.346 456 Y HA 0.606 5.156 4.550 0.000 0.000 0.332 456 Y C 0.791 176.644 175.900 -0.078 0.000 0.985 456 Y CA 0.241 58.288 58.100 -0.089 0.000 1.112 456 Y CB 2.080 40.511 38.460 -0.047 0.000 1.170 456 Y HN 0.762 nan 8.280 nan 0.000 0.447 457 G N 0.862 109.671 108.800 0.015 0.000 2.509 457 G HA2 0.620 4.580 3.960 0.000 0.000 0.328 457 G HA3 0.620 4.580 3.960 0.000 0.000 0.328 457 G C -0.827 174.091 174.900 0.031 0.000 1.194 457 G CA -0.724 44.379 45.100 0.006 0.000 0.967 457 G HN 0.719 nan 8.290 nan 0.000 0.488 458 A N -0.050 122.780 122.820 0.018 0.000 2.956 458 A HA 0.538 4.858 4.320 0.000 0.000 0.294 458 A C 0.529 178.121 177.584 0.012 0.000 0.993 458 A CA 0.191 52.242 52.037 0.022 0.000 1.032 458 A CB -0.053 18.961 19.000 0.023 0.000 1.129 458 A HN 1.385 nan 8.150 nan 0.000 0.505 459 V N -3.126 116.793 119.914 0.008 0.000 3.289 459 V HA 0.039 4.159 4.120 0.000 0.000 0.262 459 V C 1.229 177.325 176.094 0.003 0.000 1.707 459 V CA 0.694 62.997 62.300 0.005 0.000 1.024 459 V CB -0.778 31.046 31.823 0.002 0.000 0.871 459 V HN 0.595 nan 8.190 nan 0.000 0.397 460 Q N 2.355 122.154 119.800 -0.000 0.000 2.280 460 Q HA 0.077 4.417 4.340 0.000 0.000 0.202 460 Q C 1.325 177.325 176.000 0.000 0.000 0.903 460 Q CA 0.575 56.376 55.803 -0.003 0.000 0.948 460 Q CB -0.029 28.702 28.738 -0.011 0.000 1.058 460 Q HN 0.893 nan 8.270 nan 0.000 0.493 461 Q N -0.406 119.400 119.800 0.011 0.000 2.373 461 Q HA 0.139 4.479 4.340 0.000 0.000 0.206 461 Q C 1.316 177.329 176.000 0.020 0.000 0.942 461 Q CA 0.476 56.293 55.803 0.023 0.000 0.953 461 Q CB 0.354 29.116 28.738 0.040 0.000 1.022 461 Q HN 0.154 nan 8.270 nan 0.000 0.502 462 S N 0.094 115.802 115.700 0.014 0.000 2.436 462 S HA 0.073 4.543 4.470 0.000 0.000 0.228 462 S C 0.614 175.223 174.600 0.015 0.000 1.014 462 S CA 0.033 58.241 58.200 0.013 0.000 0.950 462 S CB 0.088 63.293 63.200 0.009 0.000 0.784 462 S HN 0.408 nan 8.310 nan 0.000 0.504 463 I N 2.320 122.898 120.570 0.014 0.000 2.365 463 I HA 0.183 4.353 4.170 0.000 0.000 0.291 463 I C 0.255 176.386 176.117 0.024 0.000 1.004 463 I CA -0.418 60.891 61.300 0.016 0.000 1.311 463 I CB 0.972 38.977 38.000 0.009 0.000 1.401 463 I HN 0.095 nan 8.210 nan 0.000 0.491 464 D N 4.043 124.462 120.400 0.032 0.000 2.533 464 D HA -0.078 4.562 4.640 0.000 0.000 0.236 464 D C 1.158 177.483 176.300 0.041 0.000 1.137 464 D CA 0.295 54.322 54.000 0.045 0.000 0.867 464 D CB 0.977 41.812 40.800 0.059 0.000 1.170 464 D HN 0.695 nan 8.370 nan 0.000 0.474 465 S N 3.927 119.656 115.700 0.049 0.000 2.474 465 S HA -0.111 4.359 4.470 0.000 0.000 0.235 465 S C 1.589 176.216 174.600 0.045 0.000 0.997 465 S CA 0.365 58.593 58.200 0.047 0.000 0.949 465 S CB 0.055 63.301 63.200 0.077 0.000 0.766 465 S HN 0.513 nan 8.310 nan 0.000 0.517 466 R N 0.626 121.155 120.500 0.049 0.000 2.237 466 R HA 0.227 4.567 4.340 0.000 0.000 0.219 466 R C 1.654 177.965 176.300 0.018 0.000 1.080 466 R CA 0.914 57.033 56.100 0.031 0.000 0.995 466 R CB -0.462 29.850 30.300 0.020 0.000 0.875 466 R HN 0.455 nan 8.270 nan 0.000 0.462 467 L N 0.291 121.529 121.223 0.024 0.000 2.418 467 L HA 0.133 4.473 4.340 0.000 0.000 0.218 467 L C 0.685 177.573 176.870 0.030 0.000 1.125 467 L CA 0.241 55.096 54.840 0.024 0.000 0.835 467 L CB 0.050 42.123 42.059 0.023 0.000 0.953 467 L HN 0.051 nan 8.230 nan 0.000 0.454 468 I N 0.270 120.854 120.570 0.023 0.000 2.385 468 I HA 0.257 4.427 4.170 0.000 0.000 0.294 468 I C -0.582 175.546 176.117 0.019 0.000 0.988 468 I CA -0.429 60.883 61.300 0.020 0.000 1.265 468 I CB 1.774 39.767 38.000 -0.012 0.000 1.388 468 I HN -0.292 nan 8.210 nan 0.000 0.480 469 V N 4.714 124.660 119.914 0.054 0.000 2.709 469 V HA 0.323 4.443 4.120 0.000 0.000 0.308 469 V C -0.787 175.319 176.094 0.021 0.000 1.062 469 V CA -0.863 61.442 62.300 0.008 0.000 0.901 469 V CB 2.102 33.942 31.823 0.029 0.000 1.003 469 V HN 0.587 nan 8.190 nan 0.000 0.425 470 D N 2.509 122.853 120.400 -0.092 0.000 2.210 470 D HA 0.453 5.093 4.640 0.000 0.000 0.249 470 D C -0.981 175.272 176.300 -0.078 0.000 1.062 470 D CA 0.091 54.093 54.000 0.002 0.000 0.891 470 D CB 1.330 42.140 40.800 0.018 0.000 1.186 470 D HN 0.448 nan 8.370 nan 0.000 0.432 471 W N 1.286 122.599 121.300 0.022 0.000 2.538 471 W HA 0.441 5.101 4.660 0.000 0.000 0.322 471 W C 0.228 176.840 176.519 0.155 0.000 1.028 471 W CA -0.836 56.570 57.345 0.102 0.000 1.228 471 W CB 1.292 30.701 29.460 -0.085 0.000 1.356 471 W HN -0.083 nan 8.180 nan 0.000 0.452 472 R N 2.963 123.746 120.500 0.472 0.000 2.483 472 R HA 0.510 4.850 4.340 0.000 0.000 0.303 472 R C -1.555 174.979 176.300 0.391 0.000 0.987 472 R CA -0.889 55.375 56.100 0.274 0.000 0.881 472 R CB 1.642 32.043 30.300 0.168 0.000 1.177 472 R HN 0.178 nan 8.270 nan 0.000 0.451 473 F N 3.169 123.007 119.950 -0.187 0.000 2.458 473 F HA 0.496 5.023 4.527 0.000 0.000 0.336 473 F C -0.327 175.376 175.800 -0.162 0.000 1.114 473 F CA -1.477 56.487 58.000 -0.059 0.000 0.987 473 F CB 1.054 39.977 39.000 -0.128 0.000 1.130 473 F HN 0.294 nan 8.300 nan 0.000 0.458 474 F N 1.268 121.417 119.950 0.333 0.000 2.467 474 F HA 0.680 5.207 4.527 0.000 0.000 0.336 474 F C 0.631 176.633 175.800 0.336 0.000 1.123 474 F CA -1.224 56.961 58.000 0.308 0.000 0.964 474 F CB 1.495 40.716 39.000 0.368 0.000 1.136 474 F HN 0.512 nan 8.300 nan 0.000 0.447 475 G N 2.014 111.060 108.800 0.410 0.000 2.434 475 G HA2 0.632 4.592 3.960 0.000 0.000 0.330 475 G HA3 0.632 4.592 3.960 0.000 0.000 0.330 475 G C -0.853 174.228 174.900 0.302 0.000 1.155 475 G CA -1.116 44.208 45.100 0.373 0.000 0.917 475 G HN 0.720 nan 8.290 nan 0.000 0.493 476 R N -0.637 120.037 120.500 0.290 0.000 2.459 476 R HA 0.640 4.980 4.340 0.000 0.000 0.281 476 R C -0.960 175.431 176.300 0.152 0.000 1.050 476 R CA -0.490 55.700 56.100 0.150 0.000 1.055 476 R CB 1.052 31.442 30.300 0.150 0.000 1.045 476 R HN 0.256 nan 8.270 nan 0.000 0.495 477 T N 2.595 117.207 114.554 0.097 0.000 2.809 477 T HA 0.099 4.450 4.350 0.000 0.000 0.284 477 T C -0.733 174.049 174.700 0.138 0.000 0.992 477 T CA -0.841 61.370 62.100 0.185 0.000 0.957 477 T CB 1.120 70.171 68.868 0.305 0.000 0.942 477 T HN 0.704 nan 8.240 nan 0.000 0.439 478 E N 3.873 124.159 120.200 0.142 0.000 2.366 478 E HA 0.140 4.490 4.350 0.000 0.000 0.266 478 E C -2.578 174.106 176.600 0.141 0.000 1.015 478 E CA -1.740 54.735 56.400 0.125 0.000 0.906 478 E CB 0.162 29.927 29.700 0.108 0.000 0.979 478 E HN 0.173 nan 8.360 nan 0.000 0.443 479 P HA 0.075 nan 4.420 nan 0.000 0.266 479 P C -0.844 176.623 177.300 0.277 0.000 1.215 479 P CA 0.200 63.446 63.100 0.244 0.000 0.763 479 P CB 0.459 32.315 31.700 0.260 0.000 0.806 480 K N 2.592 123.102 120.400 0.185 0.000 2.422 480 K HA 0.175 4.495 4.320 0.000 0.000 0.251 480 K C 0.915 177.350 176.600 -0.276 0.000 0.933 480 K CA -0.706 55.607 56.287 0.043 0.000 0.798 480 K CB 2.177 34.660 32.500 -0.028 0.000 1.238 480 K HN 0.403 nan 8.250 nan 0.000 0.428 481 E N 1.915 121.806 120.200 -0.515 0.000 2.160 481 E HA -0.211 4.139 4.350 0.000 0.000 0.195 481 E C 1.051 177.402 176.600 -0.416 0.000 0.991 481 E CA 1.462 57.322 56.400 -0.901 0.000 0.810 481 E CB 0.481 29.873 29.700 -0.514 0.000 0.742 481 E HN 0.553 nan 8.360 nan 0.000 0.466 482 E N 0.332 120.395 120.200 -0.228 0.000 2.274 482 E HA -0.111 4.239 4.350 0.000 0.000 0.194 482 E C 0.067 176.612 176.600 -0.091 0.000 0.996 482 E CA 0.314 56.634 56.400 -0.134 0.000 0.840 482 E CB -0.296 29.340 29.700 -0.105 0.000 0.772 482 E HN 0.077 nan 8.360 nan 0.000 0.491 483 N N 2.230 120.872 118.700 -0.097 0.000 2.405 483 N HA 0.135 4.875 4.740 0.000 0.000 0.260 483 N C -0.644 174.936 175.510 0.116 0.000 1.152 483 N CA 0.343 53.402 53.050 0.015 0.000 0.948 483 N CB 0.983 39.475 38.487 0.009 0.000 1.111 483 N HN 0.150 nan 8.380 nan 0.000 0.485 484 K N 1.208 121.726 120.400 0.196 0.000 2.435 484 K HA 0.480 4.800 4.320 0.000 0.000 0.251 484 K C -1.023 175.731 176.600 0.256 0.000 0.954 484 K CA -0.942 55.473 56.287 0.212 0.000 0.820 484 K CB 2.386 35.015 32.500 0.215 0.000 1.292 484 K HN 0.194 nan 8.250 nan 0.000 0.436 485 L N 3.573 124.896 121.223 0.168 0.000 2.325 485 L HA 0.588 4.928 4.340 0.000 0.000 0.281 485 L C -1.306 175.519 176.870 -0.075 0.000 1.004 485 L CA -0.092 54.694 54.840 -0.089 0.000 0.823 485 L CB 0.683 42.690 42.059 -0.087 0.000 1.236 485 L HN 0.715 nan 8.230 nan 0.000 0.415 486 W N 3.608 124.635 121.300 -0.454 0.000 3.017 486 W HA 0.665 5.325 4.660 0.000 0.000 0.341 486 W C -2.238 173.850 176.519 -0.717 0.000 1.180 486 W CA -1.297 55.834 57.345 -0.357 0.000 1.097 486 W CB 0.912 30.310 29.460 -0.103 0.000 1.468 486 W HN 0.369 nan 8.180 nan 0.000 0.584 487 F N 1.532 121.651 119.950 0.281 0.000 2.539 487 F HA 0.333 4.860 4.527 0.000 0.000 0.318 487 F C 0.782 176.734 175.800 0.254 0.000 1.135 487 F CA -0.909 57.137 58.000 0.078 0.000 0.915 487 F CB 2.082 41.120 39.000 0.064 0.000 1.176 487 F HN 0.277 nan 8.300 nan 0.000 0.440 488 S N 1.270 117.091 115.700 0.203 0.000 2.568 488 S HA 0.015 4.485 4.470 0.000 0.000 0.282 488 S C 0.863 175.614 174.600 0.250 0.000 1.338 488 S CA -0.329 58.034 58.200 0.272 0.000 1.045 488 S CB 0.382 63.644 63.200 0.102 0.000 0.873 488 S HN 0.721 nan 8.310 nan 0.000 0.516 489 D N 2.981 123.517 120.400 0.227 0.000 2.339 489 D HA 0.095 4.735 4.640 0.000 0.000 0.217 489 D C 0.937 177.300 176.300 0.104 0.000 1.050 489 D CA 0.503 54.589 54.000 0.144 0.000 0.856 489 D CB 0.159 41.028 40.800 0.115 0.000 0.922 489 D HN 0.519 nan 8.370 nan 0.000 0.518 490 K N -0.431 120.034 120.400 0.108 0.000 2.380 490 K HA 0.207 4.527 4.320 0.000 0.000 0.200 490 K C 0.347 176.989 176.600 0.070 0.000 1.201 490 K CA -0.207 56.127 56.287 0.080 0.000 0.916 490 K CB 0.926 33.473 32.500 0.078 0.000 1.187 490 K HN 0.043 nan 8.250 nan 0.000 0.498 491 I N 2.840 123.455 120.570 0.074 0.000 2.428 491 I HA 0.021 4.191 4.170 0.000 0.000 0.289 491 I C 0.408 176.561 176.117 0.059 0.000 1.019 491 I CA 0.113 61.446 61.300 0.055 0.000 1.351 491 I CB 1.399 39.420 38.000 0.036 0.000 1.412 491 I HN 0.145 nan 8.210 nan 0.000 0.513 492 T N 0.870 115.456 114.554 0.053 0.000 2.908 492 T HA 0.654 5.005 4.350 0.000 0.000 0.290 492 T C -0.552 174.184 174.700 0.061 0.000 1.034 492 T CA -1.061 61.078 62.100 0.064 0.000 1.010 492 T CB 1.677 70.579 68.868 0.056 0.000 1.068 492 T HN 0.523 nan 8.240 nan 0.000 0.481 493 D N 1.194 121.647 120.400 0.088 0.000 2.440 493 D HA 0.445 5.085 4.640 0.000 0.000 0.269 493 D C 1.695 178.035 176.300 0.067 0.000 1.249 493 D CA -0.439 53.618 54.000 0.094 0.000 1.055 493 D CB -0.121 40.773 40.800 0.157 0.000 1.104 493 D HN 0.645 nan 8.370 nan 0.000 0.561 494 A N -1.316 121.530 122.820 0.042 0.000 2.131 494 A HA -0.164 4.156 4.320 0.000 0.000 0.220 494 A C 1.019 178.436 177.584 -0.279 0.000 1.158 494 A CA 1.056 53.025 52.037 -0.114 0.000 0.665 494 A CB -1.030 17.872 19.000 -0.164 0.000 0.795 494 A HN 0.571 nan 8.150 nan 0.000 0.460 495 Y N 0.160 120.480 120.300 0.034 0.000 2.681 495 Y HA 0.181 4.731 4.550 0.000 0.000 0.267 495 Y C 0.419 176.342 175.900 0.040 0.000 1.166 495 Y CA -0.775 57.349 58.100 0.039 0.000 1.209 495 Y CB -0.104 38.364 38.460 0.014 0.000 1.161 495 Y HN 0.271 nan 8.280 nan 0.000 0.534 499 Q N 4.077 123.969 119.800 0.152 0.000 2.271 499 Q HA 0.308 4.648 4.340 0.000 0.000 0.273 499 Q C -2.230 173.717 176.000 -0.087 0.000 1.051 499 Q CA -1.037 54.802 55.803 0.059 0.000 0.901 499 Q CB 0.376 29.102 28.738 -0.019 0.000 1.174 499 Q HN 0.117 nan 8.270 nan 0.000 0.385 500 P HA 0.122 nan 4.420 nan 0.000 0.268 500 P C -1.115 175.670 177.300 -0.859 0.000 1.205 500 P CA -0.073 62.560 63.100 -0.778 0.000 0.771 500 P CB 1.046 32.404 31.700 -0.570 0.000 0.858 501 T N 2.592 116.404 114.554 -1.236 0.000 2.952 501 T HA 0.518 4.868 4.350 0.000 0.000 0.305 501 T C -0.839 173.212 174.700 -1.082 0.000 1.064 501 T CA -0.184 61.224 62.100 -1.153 0.000 1.008 501 T CB 0.563 68.396 68.868 -1.725 0.000 1.078 501 T HN 0.060 nan 8.240 nan 0.000 0.459 502 F N 1.755 121.456 119.950 -0.414 0.000 2.450 502 F HA 0.516 5.043 4.527 0.000 0.000 0.332 502 F C 0.500 176.283 175.800 -0.028 0.000 1.093 502 F CA -0.727 57.157 58.000 -0.194 0.000 1.003 502 F CB 1.346 40.264 39.000 -0.136 0.000 1.151 502 F HN 0.383 nan 8.300 nan 0.000 0.474 503 D N 3.939 124.529 120.400 0.317 0.000 2.454 503 D HA 0.250 4.890 4.640 0.000 0.000 0.247 503 D C -1.758 174.685 176.300 0.238 0.000 1.129 503 D CA -0.086 54.073 54.000 0.265 0.000 0.877 503 D CB 0.726 41.693 40.800 0.280 0.000 1.082 503 D HN 0.342 nan 8.370 nan 0.000 0.537 504 F N 3.094 123.042 119.950 -0.004 0.000 2.596 504 F HA 0.610 5.137 4.527 0.000 0.000 0.311 504 F C -1.369 174.323 175.800 -0.180 0.000 1.116 504 F CA -0.726 57.205 58.000 -0.115 0.000 0.957 504 F CB 1.617 40.490 39.000 -0.212 0.000 1.250 504 F HN 0.159 nan 8.300 nan 0.000 0.444 505 R N 4.178 124.079 120.500 -0.998 0.000 2.584 505 R HA 0.482 4.822 4.340 0.000 0.000 0.276 505 R C -1.793 173.856 176.300 -1.085 0.000 1.046 505 R CA -0.688 54.968 56.100 -0.739 0.000 0.906 505 R CB 1.165 31.270 30.300 -0.324 0.000 1.215 505 R HN 0.563 nan 8.270 nan 0.000 0.449 506 F N 4.802 124.478 119.950 -0.458 0.000 2.590 506 F HA 0.147 4.674 4.527 0.000 0.000 0.389 506 F C -1.357 174.306 175.800 -0.229 0.000 1.049 506 F CA -0.617 57.226 58.000 -0.261 0.000 1.199 506 F CB 0.213 39.190 39.000 -0.039 0.000 1.058 506 F HN 0.315 nan 8.300 nan 0.000 0.556 507 P HA 0.062 nan 4.420 nan 0.000 0.265 507 P C -0.456 176.855 177.300 0.019 0.000 1.193 507 P CA -0.097 62.980 63.100 -0.039 0.000 0.765 507 P CB 0.537 32.233 31.700 -0.007 0.000 0.823 508 A N 3.228 126.047 122.820 -0.002 0.000 2.429 508 A HA 0.514 4.834 4.320 0.000 0.000 0.242 508 A C 1.191 178.790 177.584 0.024 0.000 1.088 508 A CA 0.870 52.912 52.037 0.009 0.000 0.784 508 A CB -1.016 17.982 19.000 -0.003 0.000 1.038 508 A HN 0.834 nan 8.150 nan 0.000 0.501 509 G N -0.025 108.790 108.800 0.026 0.000 2.496 509 G HA2 -0.257 3.703 3.960 0.000 0.000 0.243 509 G HA3 -0.257 3.703 3.960 0.000 0.000 0.243 509 G C 1.041 175.971 174.900 0.051 0.000 1.176 509 G CA 0.745 45.867 45.100 0.036 0.000 0.940 509 G HN 1.012 nan 8.290 nan 0.000 0.573 510 R N -0.150 120.387 120.500 0.062 0.000 2.091 510 R HA -0.097 4.243 4.340 0.000 0.000 0.238 510 R C 2.828 179.186 176.300 0.098 0.000 1.136 510 R CA 2.748 58.896 56.100 0.080 0.000 0.959 510 R CB -0.930 29.420 30.300 0.083 0.000 0.856 510 R HN 0.632 nan 8.270 nan 0.000 0.437 511 T N 0.128 114.742 114.554 0.101 0.000 2.684 511 T HA -0.131 4.219 4.350 0.000 0.000 0.267 511 T C 1.920 176.670 174.700 0.083 0.000 1.036 511 T CA 1.933 64.106 62.100 0.122 0.000 1.148 511 T CB -0.193 68.766 68.868 0.152 0.000 0.863 511 T HN 0.308 nan 8.240 nan 0.000 0.436 512 S N 0.670 116.402 115.700 0.053 0.000 2.355 512 S HA -0.045 4.425 4.470 0.000 0.000 0.222 512 S C 2.027 176.633 174.600 0.010 0.000 1.031 512 S CA 1.085 59.285 58.200 -0.000 0.000 0.993 512 S CB -0.213 62.983 63.200 -0.006 0.000 0.859 512 S HN 0.519 nan 8.310 nan 0.000 0.453 513 K N 1.404 121.828 120.400 0.040 0.000 2.057 513 K HA -0.118 4.203 4.320 0.000 0.000 0.207 513 K C 1.934 178.590 176.600 0.094 0.000 1.049 513 K CA 1.412 57.732 56.287 0.056 0.000 0.931 513 K CB -0.117 32.420 32.500 0.062 0.000 0.714 513 K HN 0.347 nan 8.250 nan 0.000 0.440 514 E N -0.014 120.266 120.200 0.134 0.000 2.077 514 E HA -0.186 4.164 4.350 0.000 0.000 0.193 514 E C 1.978 178.669 176.600 0.152 0.000 0.989 514 E CA 1.043 57.578 56.400 0.225 0.000 0.800 514 E CB -0.124 29.743 29.700 0.278 0.000 0.746 514 E HN 0.470 nan 8.360 nan 0.000 0.452 515 A N 1.210 124.089 122.820 0.100 0.000 1.933 515 A HA -0.232 4.089 4.320 0.000 0.000 0.218 515 A C 2.046 179.705 177.584 0.125 0.000 1.175 515 A CA 1.690 53.784 52.037 0.096 0.000 0.628 515 A CB -0.298 18.715 19.000 0.022 0.000 0.814 515 A HN 0.113 nan 8.150 nan 0.000 0.444 516 E N 0.736 120.980 120.200 0.075 0.000 2.112 516 E HA -0.041 4.310 4.350 0.000 0.000 0.190 516 E C 0.267 176.849 176.600 -0.031 0.000 0.979 516 E CA 0.420 56.861 56.400 0.067 0.000 0.814 516 E CB -0.185 29.532 29.700 0.029 0.000 0.762 516 E HN 0.519 nan 8.360 nan 0.000 0.460 527 A N 2.010 124.593 122.820 -0.394 0.000 2.070 527 A HA 0.124 4.444 4.320 0.000 0.000 0.220 527 A C 1.929 179.403 177.584 -0.184 0.000 1.159 527 A CA 1.678 53.527 52.037 -0.313 0.000 0.656 527 A CB -0.657 18.184 19.000 -0.265 0.000 0.800 527 A HN 0.602 nan 8.150 nan 0.000 0.453 528 K N -0.609 119.725 120.400 -0.110 0.000 2.288 528 K HA 0.062 4.383 4.320 0.000 0.000 0.201 528 K C 1.325 177.924 176.600 -0.001 0.000 1.048 528 K CA 0.756 57.016 56.287 -0.045 0.000 0.956 528 K CB 0.034 32.531 32.500 -0.005 0.000 0.746 528 K HN 0.415 nan 8.250 nan 0.000 0.461 529 I N -0.818 119.774 120.570 0.037 0.000 2.810 529 I HA 0.156 4.326 4.170 0.000 0.000 0.262 529 I C 1.184 177.324 176.117 0.038 0.000 1.131 529 I CA 0.676 62.042 61.300 0.110 0.000 1.453 529 I CB -0.456 37.751 38.000 0.344 0.000 1.161 529 I HN 0.108 nan 8.210 nan 0.000 0.444 530 G N -0.710 108.065 108.800 -0.043 0.000 2.441 530 G HA2 0.491 4.451 3.960 0.000 0.000 0.294 530 G HA3 0.491 4.451 3.960 0.000 0.000 0.294 530 G C -0.792 173.974 174.900 -0.224 0.000 1.393 530 G CA -0.130 44.919 45.100 -0.086 0.000 0.796 530 G HN 0.294 nan 8.290 nan 0.000 0.494 531 G N -1.033 107.626 108.800 -0.235 0.000 2.507 531 G HA2 0.554 4.514 3.960 0.000 0.000 0.271 531 G HA3 0.554 4.514 3.960 0.000 0.000 0.271 531 G C -0.210 174.528 174.900 -0.270 0.000 1.189 531 G CA -0.532 44.335 45.100 -0.388 0.000 0.859 531 G HN 0.442 nan 8.290 nan 0.000 0.542 532 F N -0.439 119.411 119.950 -0.166 0.000 2.629 532 F HA 0.123 4.650 4.527 0.000 0.000 0.369 532 F C 0.753 176.482 175.800 -0.118 0.000 1.125 532 F CA -0.752 57.145 58.000 -0.172 0.000 1.330 532 F CB 0.323 39.210 39.000 -0.188 0.000 1.071 532 F HN 0.192 nan 8.300 nan 0.000 0.595 533 L N 6.161 127.434 121.223 0.083 0.000 2.313 533 L HA 0.437 4.777 4.340 0.000 0.000 0.282 533 L C -2.436 174.440 176.870 0.011 0.000 1.092 533 L CA -1.859 52.995 54.840 0.023 0.000 0.831 533 L CB 0.265 42.321 42.059 -0.004 0.000 1.159 533 L HN 0.276 nan 8.230 nan 0.000 0.442 534 P HA 0.219 nan 4.420 nan 0.000 0.265 534 P C 0.619 177.912 177.300 -0.012 0.000 1.193 534 P CA 0.954 64.054 63.100 -0.000 0.000 0.765 534 P CB 0.783 32.484 31.700 0.001 0.000 0.823 535 G N 2.142 110.930 108.800 -0.020 0.000 2.268 535 G HA2 -0.241 3.719 3.960 0.000 0.000 0.240 535 G HA3 -0.241 3.719 3.960 0.000 0.000 0.240 535 G C 0.491 175.383 174.900 -0.014 0.000 1.010 535 G CA 0.236 45.326 45.100 -0.016 0.000 0.618 535 G HN 0.524 nan 8.290 nan 0.000 0.516 536 S N 1.044 116.717 115.700 -0.044 0.000 2.422 536 S HA 0.560 5.030 4.470 0.000 0.000 0.226 536 S C 0.415 174.878 174.600 -0.228 0.000 1.242 536 S CA -0.516 57.635 58.200 -0.082 0.000 1.231 536 S CB 0.300 63.444 63.200 -0.094 0.000 1.067 536 S HN 0.479 nan 8.310 nan 0.000 0.462 537 L N 1.707 122.798 121.223 -0.220 0.000 2.466 537 L HA 0.388 4.728 4.340 0.000 0.000 0.257 537 L C -2.306 174.259 176.870 -0.509 0.000 1.189 537 L CA -2.437 52.161 54.840 -0.403 0.000 0.813 537 L CB -0.137 41.760 42.059 -0.270 0.000 1.118 537 L HN 0.024 nan 8.230 nan 0.000 0.471 538 P HA 0.001 nan 4.420 nan 0.000 0.262 538 P C -1.330 175.735 177.300 -0.391 0.000 1.182 538 P CA 0.178 62.884 63.100 -0.657 0.000 0.761 538 P CB 0.358 31.588 31.700 -0.782 0.000 0.795 539 Q N 1.735 121.340 119.800 -0.325 0.000 2.479 539 Q HA 0.431 4.771 4.340 0.000 0.000 0.276 539 Q C -1.289 174.571 176.000 -0.233 0.000 0.989 539 Q CA -0.799 54.899 55.803 -0.174 0.000 0.864 539 Q CB 0.551 29.257 28.738 -0.053 0.000 1.444 539 Q HN 0.098 nan 8.270 nan 0.000 0.388 543 P HA 0.095 nan 4.420 nan 0.000 0.262 543 P C 0.935 178.167 177.300 -0.113 0.000 1.182 543 P CA 1.507 64.653 63.100 0.077 0.000 0.761 543 P CB 0.301 32.026 31.700 0.041 0.000 0.795 544 G N 2.226 110.940 108.800 -0.143 0.000 2.234 544 G HA2 -0.306 3.654 3.960 0.000 0.000 0.235 544 G HA3 -0.306 3.654 3.960 0.000 0.000 0.235 544 G C 0.695 175.517 174.900 -0.131 0.000 0.997 544 G CA 0.162 45.129 45.100 -0.221 0.000 0.623 544 G HN 0.526 nan 8.290 nan 0.000 0.514 545 L N 1.161 122.332 121.223 -0.086 0.000 2.201 545 L HA 0.286 4.626 4.340 0.000 0.000 0.212 545 L C 2.784 179.564 176.870 -0.150 0.000 1.105 545 L CA 2.293 57.074 54.840 -0.098 0.000 0.775 545 L CB -0.184 41.843 42.059 -0.052 0.000 0.913 545 L HN 0.472 nan 8.230 nan 0.000 0.440 546 V N -0.186 119.657 119.914 -0.118 0.000 2.594 546 V HA -0.169 3.951 4.120 0.000 0.000 0.253 546 V C 1.581 177.503 176.094 -0.288 0.000 1.069 546 V CA 1.274 63.476 62.300 -0.163 0.000 1.082 546 V CB -0.288 31.508 31.823 -0.046 0.000 0.680 546 V HN 0.496 nan 8.190 nan 0.000 0.469 547 L N -0.069 121.064 121.223 -0.149 0.000 3.717 547 L HA -0.243 4.097 4.340 0.000 0.000 0.414 547 L C 0.216 177.153 176.870 0.111 0.000 1.228 547 L CA 0.931 55.746 54.840 -0.041 0.000 0.918 547 L CB -2.538 39.514 42.059 -0.011 0.000 1.865 547 L HN 0.579 nan 8.230 nan 0.000 0.922 548 H N -0.641 118.502 119.070 0.122 0.000 2.502 548 H HA 0.324 4.880 4.556 0.000 0.000 0.268 548 H C 0.383 175.818 175.328 0.178 0.000 1.177 548 H CA -1.115 55.047 56.048 0.190 0.000 0.961 548 H CB 0.657 30.584 29.762 0.274 0.000 1.737 548 H HN 0.170 nan 8.280 nan 0.000 0.569 549 L N 2.023 123.362 121.223 0.193 0.000 2.559 549 L HA 0.194 4.534 4.340 0.000 0.000 0.274 549 L C 0.622 177.603 176.870 0.184 0.000 1.205 549 L CA 0.680 55.587 54.840 0.112 0.000 0.907 549 L CB 0.196 42.288 42.059 0.055 0.000 1.153 549 L HN 0.348 nan 8.230 nan 0.000 0.490 550 G N 2.137 111.061 108.800 0.207 0.000 2.714 550 G HA2 0.533 4.494 3.960 0.000 0.000 0.292 550 G HA3 0.533 4.494 3.960 0.000 0.000 0.292 550 G C 0.396 175.392 174.900 0.161 0.000 1.308 550 G CA -0.348 44.898 45.100 0.245 0.000 0.964 550 G HN 1.320 nan 8.290 nan 0.000 0.484 551 G N -1.217 107.652 108.800 0.115 0.000 2.168 551 G HA2 -0.266 3.694 3.960 0.000 0.000 0.263 551 G HA3 -0.266 3.694 3.960 0.000 0.000 0.263 551 G C 1.382 176.344 174.900 0.103 0.000 0.977 551 G CA 1.660 46.831 45.100 0.118 0.000 0.659 551 G HN 1.850 nan 8.290 nan 0.000 0.533 552 T N -2.021 112.549 114.554 0.027 0.000 2.962 552 T HA 0.062 4.412 4.350 0.000 0.000 0.270 552 T C 1.119 175.898 174.700 0.132 0.000 1.088 552 T CA 1.950 64.103 62.100 0.087 0.000 1.127 552 T CB -0.306 68.619 68.868 0.095 0.000 0.883 552 T HN 1.565 nan 8.240 nan 0.000 0.493 553 H N -0.261 118.882 119.070 0.122 0.000 2.823 553 H HA 0.485 5.042 4.556 0.000 0.000 0.222 553 H C 0.092 175.463 175.328 0.072 0.000 1.414 553 H CA -1.368 54.729 56.048 0.082 0.000 1.289 553 H CB -0.216 29.559 29.762 0.022 0.000 1.970 553 H HN 0.376 nan 8.280 nan 0.000 0.517 557 F N 0.059 120.110 119.950 0.168 0.000 2.416 557 F HA 0.305 4.832 4.527 0.000 0.000 0.296 557 F C 1.061 176.983 175.800 0.203 0.000 1.099 557 F CA 1.062 59.161 58.000 0.166 0.000 1.427 557 F CB 0.505 39.559 39.000 0.089 0.000 1.079 557 F HN 0.445 nan 8.300 nan 0.000 0.536 558 D N -1.222 119.328 120.400 0.249 0.000 2.970 558 D HA 0.100 4.740 4.640 0.000 0.000 0.230 558 D C 0.570 176.659 176.300 -0.352 0.000 1.276 558 D CA -0.253 53.717 54.000 -0.050 0.000 0.910 558 D CB 1.093 41.905 40.800 0.019 0.000 1.590 558 D HN 0.027 nan 8.370 nan 0.000 0.551 559 E N 2.319 121.958 120.200 -0.935 0.000 2.070 559 E HA -0.269 4.081 4.350 0.000 0.000 0.197 559 E C 0.970 177.382 176.600 -0.313 0.000 1.004 559 E CA 1.302 57.176 56.400 -0.877 0.000 0.805 559 E CB 0.329 29.446 29.700 -0.972 0.000 0.744 559 E HN 0.272 nan 8.360 nan 0.000 0.451 560 K N 0.329 120.595 120.400 -0.223 0.000 2.005 560 K HA -0.020 4.300 4.320 0.000 0.000 0.206 560 K C 2.092 178.655 176.600 -0.061 0.000 1.044 560 K CA 1.113 57.338 56.287 -0.102 0.000 0.942 560 K CB 0.086 32.541 32.500 -0.075 0.000 0.727 560 K HN 0.016 nan 8.250 nan 0.000 0.439 561 E N 0.536 120.705 120.200 -0.051 0.000 2.208 561 E HA -0.111 4.239 4.350 0.000 0.000 0.193 561 E C 0.420 177.013 176.600 -0.012 0.000 0.988 561 E CA 0.889 57.280 56.400 -0.014 0.000 0.828 561 E CB 0.156 29.859 29.700 0.006 0.000 0.763 561 E HN 0.329 nan 8.360 nan 0.000 0.478 562 D N 0.275 120.660 120.400 -0.024 0.000 2.349 562 D HA 0.018 4.658 4.640 0.000 0.000 0.214 562 D C -0.496 175.734 176.300 -0.115 0.000 1.063 562 D CA -0.049 53.931 54.000 -0.033 0.000 0.847 562 D CB -0.086 40.729 40.800 0.024 0.000 0.933 562 D HN 0.103 nan 8.370 nan 0.000 0.513 563 N N 0.665 119.297 118.700 -0.113 0.000 2.642 563 N HA -0.192 4.548 4.740 0.000 0.000 0.269 563 N C -0.348 175.087 175.510 -0.126 0.000 1.073 563 N CA 0.548 53.514 53.050 -0.140 0.000 0.748 563 N CB -1.439 36.859 38.487 -0.315 0.000 0.894 563 N HN 0.384 nan 8.380 nan 0.000 0.548 564 C N -2.904 116.398 119.300 0.004 0.000 3.291 564 C HA 0.757 5.217 4.460 0.000 0.000 0.316 564 C C 1.300 176.447 174.990 0.261 0.000 1.391 564 C CA -0.724 58.363 59.018 0.115 0.000 1.394 564 C CB 1.497 29.319 27.740 0.136 0.000 1.744 564 C HN 0.543 nan 8.230 nan 0.000 0.461 565 C N 0.468 119.947 119.300 0.299 0.000 2.964 565 C HA 0.487 4.947 4.460 0.000 0.000 0.358 565 C C 0.737 175.860 174.990 0.222 0.000 1.289 565 C CA 0.570 59.775 59.018 0.312 0.000 1.856 565 C CB -0.582 27.271 27.740 0.189 0.000 2.488 565 C HN 0.964 nan 8.230 nan 0.000 0.604 566 V N 0.999 120.936 119.914 0.037 0.000 3.001 566 V HA 0.705 4.825 4.120 0.000 0.000 0.314 566 V C -0.764 174.987 176.094 -0.573 0.000 1.099 566 V CA -0.689 61.382 62.300 -0.382 0.000 0.989 566 V CB 1.512 33.217 31.823 -0.197 0.000 1.040 566 V HN 0.369 nan 8.190 nan 0.000 0.434 567 N N 0.652 118.836 118.700 -0.860 0.000 2.431 567 N HA 0.262 5.002 4.740 0.000 0.000 0.289 567 N C 0.977 176.330 175.510 -0.262 0.000 1.277 567 N CA 0.230 52.986 53.050 -0.491 0.000 0.972 567 N CB -0.020 38.188 38.487 -0.465 0.000 1.143 567 N HN 0.932 nan 8.380 nan 0.000 0.578 568 T N -4.718 109.727 114.554 -0.181 0.000 3.160 568 T HA 0.035 4.385 4.350 0.000 0.000 0.257 568 T C 0.123 174.731 174.700 -0.153 0.000 1.147 568 T CA 0.496 62.490 62.100 -0.176 0.000 1.064 568 T CB -0.351 68.418 68.868 -0.164 0.000 0.949 568 T HN 0.431 nan 8.240 nan 0.000 0.526 569 D N 1.302 121.602 120.400 -0.168 0.000 2.339 569 D HA 0.147 4.787 4.640 0.000 0.000 0.217 569 D C 0.544 176.825 176.300 -0.031 0.000 1.050 569 D CA 0.187 54.105 54.000 -0.137 0.000 0.856 569 D CB 0.061 40.652 40.800 -0.349 0.000 0.922 569 D HN 0.364 nan 8.370 nan 0.000 0.518 570 S N 0.185 115.835 115.700 -0.083 0.000 3.561 570 S HA -0.248 4.222 4.470 0.000 0.000 0.318 570 S C 0.500 175.050 174.600 -0.083 0.000 1.181 570 S CA 0.348 58.534 58.200 -0.023 0.000 0.916 570 S CB -1.490 61.781 63.200 0.118 0.000 0.966 570 S HN 0.441 nan 8.310 nan 0.000 0.550 571 R N 1.249 121.558 120.500 -0.318 0.000 2.254 571 R HA 0.456 4.796 4.340 0.000 0.000 0.318 571 R C 0.033 176.003 176.300 -0.549 0.000 1.031 571 R CA -0.472 55.254 56.100 -0.622 0.000 0.905 571 R CB 0.729 30.595 30.300 -0.723 0.000 1.050 571 R HN 0.165 nan 8.270 nan 0.000 0.456 572 V N 6.163 125.804 119.914 -0.455 0.000 2.557 572 V HA -0.067 4.053 4.120 0.000 0.000 0.301 572 V C 0.299 176.333 176.094 -0.099 0.000 1.026 572 V CA 0.456 62.586 62.300 -0.283 0.000 1.137 572 V CB -0.313 31.320 31.823 -0.317 0.000 0.917 572 V HN 0.543 nan 8.190 nan 0.000 0.484 573 F N 4.024 124.015 119.950 0.069 0.000 2.602 573 F HA 0.410 4.938 4.527 0.000 0.000 0.385 573 F C 1.524 177.461 175.800 0.228 0.000 1.063 573 F CA 1.499 59.565 58.000 0.110 0.000 1.233 573 F CB 0.050 39.105 39.000 0.091 0.000 1.067 573 F HN 0.799 nan 8.300 nan 0.000 0.564 574 G N 2.454 111.441 108.800 0.312 0.000 2.234 574 G HA2 -0.281 3.679 3.960 0.000 0.000 0.235 574 G HA3 -0.281 3.679 3.960 0.000 0.000 0.235 574 G C -0.148 174.693 174.900 -0.098 0.000 0.997 574 G CA -0.545 44.620 45.100 0.108 0.000 0.623 574 G HN 0.462 nan 8.290 nan 0.000 0.514 575 F N 0.989 120.963 119.950 0.041 0.000 2.467 575 F HA 0.544 5.071 4.527 0.000 0.000 0.336 575 F C 1.274 177.060 175.800 -0.022 0.000 1.123 575 F CA -0.331 57.682 58.000 0.022 0.000 0.964 575 F CB 1.928 40.938 39.000 0.018 0.000 1.136 575 F HN 0.021 nan 8.300 nan 0.000 0.447 576 K N 2.032 122.541 120.400 0.181 0.000 2.155 576 K HA -0.115 4.205 4.320 0.000 0.000 0.203 576 K C 0.582 177.383 176.600 0.336 0.000 1.052 576 K CA 1.692 58.115 56.287 0.227 0.000 0.948 576 K CB 0.075 32.718 32.500 0.238 0.000 0.728 576 K HN 0.720 nan 8.250 nan 0.000 0.448 577 N N 0.602 119.477 118.700 0.292 0.000 2.305 577 N HA 0.053 4.793 4.740 0.000 0.000 0.248 577 N C -0.955 174.680 175.510 0.210 0.000 1.290 577 N CA -0.466 52.792 53.050 0.348 0.000 0.873 577 N CB 0.220 38.933 38.487 0.377 0.000 1.261 577 N HN 0.103 nan 8.380 nan 0.000 0.504 578 L N 0.770 121.929 121.223 -0.107 0.000 2.325 578 L HA 0.661 5.001 4.340 0.000 0.000 0.281 578 L C -1.669 174.876 176.870 -0.541 0.000 1.004 578 L CA -0.579 54.154 54.840 -0.178 0.000 0.823 578 L CB 0.705 42.621 42.059 -0.237 0.000 1.236 578 L HN -0.022 nan 8.230 nan 0.000 0.415 579 F N 5.009 124.874 119.950 -0.142 0.000 2.546 579 F HA 0.681 5.208 4.527 0.000 0.000 0.320 579 F C -0.523 175.120 175.800 -0.260 0.000 1.076 579 F CA -0.806 57.088 58.000 -0.176 0.000 0.928 579 F CB 1.730 40.658 39.000 -0.120 0.000 1.189 579 F HN 0.179 nan 8.300 nan 0.000 0.465 580 L N 1.774 122.953 121.223 -0.074 0.000 2.365 580 L HA 0.884 5.225 4.340 0.000 0.000 0.273 580 L C -0.054 176.823 176.870 0.012 0.000 1.000 580 L CA -0.828 53.900 54.840 -0.187 0.000 0.819 580 L CB 1.931 43.703 42.059 -0.478 0.000 1.284 580 L HN 0.779 nan 8.230 nan 0.000 0.418 581 G N 0.217 109.046 108.800 0.048 0.000 2.519 581 G HA2 0.813 4.773 3.960 0.000 0.000 0.307 581 G HA3 0.813 4.773 3.960 0.000 0.000 0.307 581 G C -0.493 174.524 174.900 0.195 0.000 1.266 581 G CA -0.359 44.862 45.100 0.202 0.000 0.970 581 G HN 0.984 nan 8.290 nan 0.000 0.481 582 G N -1.384 107.512 108.800 0.160 0.000 2.354 582 G HA2 0.063 4.023 3.960 0.000 0.000 0.582 582 G HA3 0.063 4.023 3.960 0.000 0.000 0.582 582 G C 0.803 175.736 174.900 0.055 0.000 1.316 582 G CA 0.023 45.189 45.100 0.110 0.000 0.995 582 G HN 1.206 nan 8.290 nan 0.000 0.573 583 C N 0.549 119.860 119.300 0.018 0.000 2.410 583 C HA 0.137 4.597 4.460 0.000 0.000 0.281 583 C C 3.090 178.055 174.990 -0.042 0.000 1.318 583 C CA 1.914 60.928 59.018 -0.007 0.000 1.776 583 C CB -1.405 26.367 27.740 0.054 0.000 1.942 583 C HN 1.352 nan 8.230 nan 0.000 0.508 584 G N 1.191 109.885 108.800 -0.178 0.000 2.479 584 G HA2 -0.234 3.727 3.960 0.000 0.000 0.220 584 G HA3 -0.234 3.727 3.960 0.000 0.000 0.220 584 G C 1.426 175.994 174.900 -0.553 0.000 1.115 584 G CA 0.897 45.629 45.100 -0.614 0.000 0.757 584 G HN 0.574 nan 8.290 nan 0.000 0.560 585 N N 0.368 118.960 118.700 -0.180 0.000 2.270 585 N HA 0.019 4.759 4.740 0.000 0.000 0.181 585 N C 0.961 176.483 175.510 0.020 0.000 1.016 585 N CA 0.140 53.203 53.050 0.022 0.000 0.870 585 N CB 0.003 38.543 38.487 0.087 0.000 0.979 585 N HN 0.299 nan 8.380 nan 0.000 0.431 586 I N 3.378 123.957 120.570 0.016 0.000 2.581 586 I HA 0.003 4.173 4.170 0.000 0.000 0.285 586 I C -1.252 174.947 176.117 0.137 0.000 1.129 586 I CA -0.867 60.469 61.300 0.060 0.000 1.397 586 I CB 0.991 38.977 38.000 -0.024 0.000 1.399 586 I HN -0.020 nan 8.210 nan 0.000 0.537 587 P HA 0.038 nan 4.420 nan 0.000 0.257 587 P C 0.344 177.729 177.300 0.141 0.000 1.241 587 P CA 0.285 63.451 63.100 0.110 0.000 0.816 587 P CB 0.105 31.831 31.700 0.044 0.000 1.150 588 T N -2.185 112.484 114.554 0.192 0.000 2.884 588 T HA 0.666 5.016 4.350 0.000 0.000 0.277 588 T C 0.192 175.016 174.700 0.206 0.000 0.976 588 T CA -0.869 61.333 62.100 0.170 0.000 0.956 588 T CB 0.996 69.942 68.868 0.130 0.000 1.113 588 T HN 0.046 nan 8.240 nan 0.000 0.554 589 A N 1.708 124.588 122.820 0.101 0.000 2.279 589 A HA 0.600 4.920 4.320 0.000 0.000 0.306 589 A C -0.643 176.903 177.584 -0.065 0.000 1.300 589 A CA -0.889 51.157 52.037 0.015 0.000 0.925 589 A CB -0.922 18.106 19.000 0.046 0.000 1.152 589 A HN 0.828 nan 8.150 nan 0.000 0.544 590 Y N -0.152 120.040 120.300 -0.180 0.000 2.485 590 Y HA 0.727 5.277 4.550 0.000 0.000 0.345 590 Y C 0.785 176.532 175.900 -0.254 0.000 0.998 590 Y CA -0.800 56.999 58.100 -0.501 0.000 1.059 590 Y CB 1.434 39.363 38.460 -0.885 0.000 1.234 590 Y HN 0.363 nan 8.280 nan 0.000 0.461 591 G N 0.688 109.374 108.800 -0.191 0.000 2.673 591 G HA2 0.366 4.326 3.960 0.000 0.000 0.208 591 G HA3 0.366 4.326 3.960 0.000 0.000 0.208 591 G C 0.460 175.416 174.900 0.094 0.000 1.128 591 G CA 0.187 45.366 45.100 0.133 0.000 0.805 591 G HN 0.955 nan 8.290 nan 0.000 0.526 592 A N 0.756 123.458 122.820 -0.196 0.000 2.346 592 A HA 0.454 4.774 4.320 0.000 0.000 0.252 592 A C -0.055 177.411 177.584 -0.197 0.000 1.089 592 A CA -0.502 51.299 52.037 -0.395 0.000 0.797 592 A CB 0.005 18.778 19.000 -0.378 0.000 1.047 592 A HN 0.368 nan 8.150 nan 0.000 0.494 593 N N 2.066 120.504 118.700 -0.436 0.000 2.411 593 N HA 0.187 4.927 4.740 0.000 0.000 0.265 593 N C -1.975 173.430 175.510 -0.175 0.000 1.266 593 N CA -0.664 52.121 53.050 -0.443 0.000 0.889 593 N CB 0.402 38.705 38.487 -0.305 0.000 1.069 593 N HN 0.420 nan 8.380 nan 0.000 0.476 594 P HA -0.029 nan 4.420 nan 0.000 0.240 594 P C 0.544 177.703 177.300 -0.234 0.000 1.190 594 P CA 0.684 63.643 63.100 -0.235 0.000 0.781 594 P CB 0.325 31.869 31.700 -0.260 0.000 0.931 595 T N 0.952 115.455 114.554 -0.085 0.000 2.746 595 T HA -0.142 4.208 4.350 0.000 0.000 0.267 595 T C 1.766 176.518 174.700 0.087 0.000 1.039 595 T CA 1.061 63.173 62.100 0.021 0.000 1.142 595 T CB -0.810 68.113 68.868 0.092 0.000 0.866 595 T HN 0.030 nan 8.240 nan 0.000 0.444 596 L N 0.911 122.211 121.223 0.128 0.000 2.083 596 L HA -0.092 4.248 4.340 0.000 0.000 0.209 596 L C 2.535 179.445 176.870 0.067 0.000 1.083 596 L CA 1.694 56.650 54.840 0.193 0.000 0.752 596 L CB -0.938 41.236 42.059 0.192 0.000 0.899 596 L HN 0.200 nan 8.230 nan 0.000 0.433 597 T N 0.057 114.514 114.554 -0.161 0.000 2.777 597 T HA 0.012 4.362 4.350 0.000 0.000 0.266 597 T C 1.094 175.691 174.700 -0.172 0.000 1.040 597 T CA 0.759 62.677 62.100 -0.303 0.000 1.141 597 T CB -0.437 67.830 68.868 -1.003 0.000 0.868 597 T HN 0.519 nan 8.240 nan 0.000 0.444 601 L N 2.949 124.031 121.223 -0.235 0.000 2.079 601 L HA 0.105 4.445 4.340 0.000 0.000 0.210 601 L C 2.540 179.275 176.870 -0.224 0.000 1.081 601 L CA 2.320 57.021 54.840 -0.231 0.000 0.752 601 L CB -1.248 40.742 42.059 -0.115 0.000 0.896 601 L HN 0.537 nan 8.230 nan 0.000 0.433 602 A N -1.012 121.657 122.820 -0.253 0.000 1.970 602 A HA -0.075 4.245 4.320 0.000 0.000 0.216 602 A C 2.306 179.554 177.584 -0.560 0.000 1.170 602 A CA 1.009 52.770 52.037 -0.460 0.000 0.645 602 A CB -0.438 18.273 19.000 -0.481 0.000 0.816 602 A HN 0.358 nan 8.150 nan 0.000 0.447 603 I N -0.308 120.035 120.570 -0.378 0.000 2.142 603 I HA -0.276 3.894 4.170 0.000 0.000 0.240 603 I C 2.516 178.472 176.117 -0.268 0.000 1.078 603 I CA 1.933 63.050 61.300 -0.306 0.000 1.343 603 I CB -0.264 37.566 38.000 -0.284 0.000 1.046 603 I HN 0.363 nan 8.210 nan 0.000 0.405 604 K N 0.643 120.882 120.400 -0.268 0.000 2.063 604 K HA -0.225 4.095 4.320 0.000 0.000 0.208 604 K C 2.341 178.856 176.600 -0.140 0.000 1.048 604 K CA 1.860 58.019 56.287 -0.214 0.000 0.928 604 K CB -0.149 32.188 32.500 -0.272 0.000 0.713 604 K HN 0.104 nan 8.250 nan 0.000 0.442 605 S N -0.244 115.357 115.700 -0.165 0.000 2.382 605 S HA -0.160 4.310 4.470 0.000 0.000 0.228 605 S C 1.971 176.504 174.600 -0.113 0.000 1.027 605 S CA 1.393 59.548 58.200 -0.074 0.000 0.991 605 S CB -0.432 62.758 63.200 -0.016 0.000 0.823 605 S HN 0.577 nan 8.310 nan 0.000 0.469 606 C N 1.299 120.446 119.300 -0.254 0.000 2.432 606 C HA 0.077 4.537 4.460 0.000 0.000 0.280 606 C C 2.456 177.377 174.990 -0.115 0.000 1.353 606 C CA 0.427 59.307 59.018 -0.231 0.000 1.766 606 C CB -1.316 26.245 27.740 -0.299 0.000 1.924 606 C HN 0.667 nan 8.230 nan 0.000 0.509 607 E N -0.746 119.408 120.200 -0.077 0.000 2.150 607 E HA -0.221 4.129 4.350 0.000 0.000 0.193 607 E C 1.748 178.370 176.600 0.036 0.000 0.985 607 E CA 1.202 57.585 56.400 -0.027 0.000 0.814 607 E CB -0.208 29.468 29.700 -0.041 0.000 0.752 607 E HN 0.842 nan 8.360 nan 0.000 0.466 608 Y N 0.993 121.270 120.300 -0.039 0.000 2.220 608 Y HA -0.156 4.394 4.550 0.000 0.000 0.291 608 Y C 1.901 177.840 175.900 0.065 0.000 1.129 608 Y CA 1.331 59.451 58.100 0.034 0.000 1.161 608 Y CB 0.009 38.533 38.460 0.107 0.000 0.997 608 Y HN -0.070 nan 8.280 nan 0.000 0.522 609 I N 0.460 121.108 120.570 0.130 0.000 2.226 609 I HA -0.327 3.843 4.170 0.000 0.000 0.245 609 I C 2.217 178.388 176.117 0.091 0.000 1.100 609 I CA 1.634 62.990 61.300 0.095 0.000 1.374 609 I CB -0.409 37.439 38.000 -0.253 0.000 1.057 609 I HN 0.156 nan 8.210 nan 0.000 0.413 610 K N 0.374 120.785 120.400 0.019 0.000 2.209 610 K HA -0.189 4.131 4.320 0.000 0.000 0.204 610 K C 2.071 178.720 176.600 0.082 0.000 1.048 610 K CA 1.201 57.559 56.287 0.119 0.000 0.940 610 K CB -0.120 32.429 32.500 0.082 0.000 0.729 610 K HN 0.435 nan 8.250 nan 0.000 0.451 611 Q N -0.143 119.636 119.800 -0.034 0.000 2.331 611 Q HA 0.047 4.387 4.340 0.000 0.000 0.203 611 Q C 1.120 176.999 176.000 -0.202 0.000 0.944 611 Q CA 0.637 56.374 55.803 -0.109 0.000 0.892 611 Q CB 0.397 29.044 28.738 -0.152 0.000 0.983 611 Q HN 0.308 nan 8.270 nan 0.000 0.482 612 N N -1.069 117.457 118.700 -0.290 0.000 2.181 612 N HA 0.141 4.881 4.740 0.000 0.000 0.207 612 N C -0.804 174.275 175.510 -0.717 0.000 1.182 612 N CA 0.259 52.977 53.050 -0.553 0.000 0.893 612 N CB 0.953 38.933 38.487 -0.845 0.000 1.032 612 N HN 0.003 nan 8.380 nan 0.000 0.513 613 F N 0.354 120.327 119.950 0.038 0.000 2.576 613 F HA 0.367 4.894 4.527 0.000 0.000 0.313 613 F C 0.160 176.088 175.800 0.214 0.000 1.078 613 F CA -0.673 57.408 58.000 0.134 0.000 0.921 613 F CB 1.901 40.994 39.000 0.155 0.000 1.232 613 F HN -0.389 nan 8.300 nan 0.000 0.459 614 T N 3.151 117.907 114.554 0.337 0.000 2.779 614 T HA 0.422 4.772 4.350 0.000 0.000 0.280 614 T C -2.660 172.049 174.700 0.016 0.000 0.987 614 T CA -1.522 60.651 62.100 0.122 0.000 0.966 614 T CB 1.415 70.311 68.868 0.047 0.000 0.933 614 T HN 0.122 nan 8.240 nan 0.000 0.442 615 P HA 0.083 nan 4.420 nan 0.000 0.264 615 P C -0.022 177.185 177.300 -0.155 0.000 1.183 615 P CA -0.219 62.559 63.100 -0.536 0.000 0.763 615 P CB 0.314 31.513 31.700 -0.836 0.000 0.807 616 S N 3.424 119.092 115.700 -0.053 0.000 2.593 616 S HA 0.395 4.865 4.470 0.000 0.000 0.269 616 S C -2.252 172.342 174.600 -0.010 0.000 1.334 616 S CA -1.081 57.109 58.200 -0.016 0.000 1.015 616 S CB -0.519 62.678 63.200 -0.005 0.000 0.912 616 S HN 0.215 nan 8.310 nan 0.000 0.541 617 P HA 0.198 nan 4.420 nan 0.000 0.271 617 P C -0.777 176.569 177.300 0.078 0.000 1.226 617 P CA -0.346 62.779 63.100 0.042 0.000 0.765 617 P CB -0.043 31.675 31.700 0.030 0.000 0.835 618 F N 3.288 123.224 119.950 -0.023 0.000 2.533 618 F HA 0.069 4.596 4.527 0.000 0.000 0.378 618 F C 0.741 176.535 175.800 -0.011 0.000 1.070 618 F CA 0.548 58.540 58.000 -0.013 0.000 1.172 618 F CB 0.365 39.358 39.000 -0.011 0.000 1.085 618 F HN 0.224 nan 8.300 nan 0.000 0.552 619 T N 0.000 114.515 114.554 -0.065 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 62.120 62.100 0.033 0.000 1.349 619 T CB 0.000 68.834 68.868 -0.057 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658