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 1tt0_1_D DATA FIRST_RESID 46 DATA SEQUENCE KYDVVIVGSG PIGCTYAREL VGAGYKVAMF DIGEIDSGLK IGAHKKNTVE DATA SEQUENCE YQKNIDKFVN VIQGQLMSVS VPVNTLVVDT LSPTSWQAST FFVRNGSNPE DATA SEQUENCE QDPLRNLSGQ AVTRVVGGMS THWTCATPRF DREQRPLLVK DDADADDAEW DATA SEQUENCE DRLYTKAESY FQTGTDQFKE SIRHNLVLNK LTEEYKGQRD FQQIPLAATR DATA SEQUENCE RSPTFVEWSS ANTVFDLQNR PNTDAPEERF NLFPAVACER VVRNALNSEI DATA SEQUENCE ESLHIHDLIS GDRFEIKADV YVLTAGAVHN TQLLVNSGFG QLGRPNPANP DATA SEQUENCE PELLPSLGSY ITEQSLVFCQ TVMSTELIDS VKSDMTIRGT PGELTYSVTY DATA SEQUENCE TPGASTNKHP DWWNEKVKNH MMQHQEDPLP IPFEDPEPQV TTLFQPSHPW DATA SEQUENCE HTQIHRDAFS YGAVQQSIDS RLIVDWRFFG RTEPKEENKL WFSDKITDAY DATA SEQUENCE NMPQPTFDFR FPAGRTSKEA EDMMTDMCVM SAKIGGFLPG SLPQFMEPGL DATA SEQUENCE VLHLGGTHRM GFDEKEDNCC VNTDSRVFGF KNLFLGGCGN IPTAYGANPT DATA SEQUENCE LTAMSLAIKS CEYIKQNFTP SPFT 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 46 K HA 0.000 nan 4.320 nan 0.000 0.191 46 K C 0.000 176.259 176.600 -0.568 0.000 0.988 46 K CA 0.000 56.106 56.287 -0.302 0.000 0.838 46 K CB 0.000 32.406 32.500 -0.156 0.000 1.064 47 Y N 0.953 121.251 120.300 -0.003 0.000 2.562 47 Y HA 0.217 4.766 4.550 -0.001 0.000 0.343 47 Y C 1.131 177.016 175.900 -0.024 0.000 1.025 47 Y CA -0.646 57.447 58.100 -0.012 0.000 1.082 47 Y CB 1.417 39.871 38.460 -0.009 0.000 1.264 47 Y HN 0.549 nan 8.280 nan 0.000 0.478 48 D N 0.377 120.874 120.400 0.162 0.000 2.097 48 D HA -0.005 4.635 4.640 -0.001 0.000 0.197 48 D C -0.257 176.056 176.300 0.022 0.000 0.984 48 D CA 1.505 55.583 54.000 0.129 0.000 0.826 48 D CB 0.215 41.163 40.800 0.247 0.000 0.973 48 D HN 0.135 nan 8.370 nan 0.000 0.460 49 V N 0.823 120.747 119.914 0.017 0.000 2.709 49 V HA 0.388 4.507 4.120 -0.001 0.000 0.308 49 V C -0.361 175.663 176.094 -0.116 0.000 1.062 49 V CA -1.083 61.140 62.300 -0.129 0.000 0.901 49 V CB 2.523 34.254 31.823 -0.152 0.000 1.003 49 V HN -0.009 nan 8.190 nan 0.000 0.425 50 V N 2.820 122.621 119.914 -0.188 0.000 2.495 50 V HA 0.740 4.859 4.120 -0.001 0.000 0.298 50 V C -0.636 175.422 176.094 -0.061 0.000 1.031 50 V CA -0.541 61.708 62.300 -0.084 0.000 0.871 50 V CB 1.559 33.407 31.823 0.042 0.000 0.988 50 V HN 0.690 nan 8.190 nan 0.000 0.432 51 I N 4.675 125.229 120.570 -0.028 0.000 2.378 51 I HA 0.485 4.655 4.170 -0.001 0.000 0.291 51 I C -0.482 175.675 176.117 0.066 0.000 0.992 51 I CA -0.949 60.322 61.300 -0.049 0.000 1.154 51 I CB 2.179 40.133 38.000 -0.078 0.000 1.315 51 I HN 0.440 nan 8.210 nan 0.000 0.448 52 V N 5.583 125.519 119.914 0.037 0.000 2.318 52 V HA 0.783 4.902 4.120 -0.001 0.000 0.271 52 V C 0.459 176.569 176.094 0.026 0.000 1.030 52 V CA -0.289 62.053 62.300 0.070 0.000 0.844 52 V CB 0.408 32.244 31.823 0.021 0.000 1.015 52 V HN 1.071 nan 8.190 nan 0.000 0.460 53 G N 3.850 112.680 108.800 0.050 0.000 2.885 53 G HA2 0.021 3.980 3.960 -0.001 0.000 0.685 53 G HA3 0.021 3.980 3.960 -0.001 0.000 0.685 53 G C -0.058 174.862 174.900 0.035 0.000 1.216 53 G CA -0.237 44.883 45.100 0.033 0.000 0.790 53 G HN 1.240 nan 8.290 nan 0.000 0.631 54 S N 0.872 116.594 115.700 0.037 0.000 2.601 54 S HA 0.601 5.070 4.470 -0.001 0.000 0.244 54 S C 1.309 175.924 174.600 0.024 0.000 1.001 54 S CA 0.775 59.002 58.200 0.046 0.000 0.984 54 S CB 0.538 63.778 63.200 0.066 0.000 0.842 54 S HN 1.943 nan 8.310 nan 0.000 0.474 55 G N 2.697 111.501 108.800 0.006 0.000 2.570 55 G HA2 0.380 4.339 3.960 -0.001 0.000 0.276 55 G HA3 0.380 4.339 3.960 -0.001 0.000 0.276 55 G C -1.152 173.731 174.900 -0.030 0.000 1.346 55 G CA -1.165 43.919 45.100 -0.027 0.000 1.034 55 G HN 0.253 nan 8.290 nan 0.000 0.512 56 P HA -0.059 nan 4.420 nan 0.000 0.220 56 P C 1.720 178.978 177.300 -0.070 0.000 1.148 56 P CA 0.761 63.824 63.100 -0.063 0.000 0.803 56 P CB 0.184 31.868 31.700 -0.027 0.000 0.782 57 I N 0.067 120.627 120.570 -0.017 0.000 2.333 57 I HA -0.027 4.142 4.170 -0.001 0.000 0.246 57 I C 2.701 178.886 176.117 0.113 0.000 1.106 57 I CA 1.491 62.813 61.300 0.036 0.000 1.411 57 I CB -2.265 35.781 38.000 0.077 0.000 1.082 57 I HN -0.004 nan 8.210 nan 0.000 0.420 58 G N 0.456 109.298 108.800 0.070 0.000 2.469 58 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.219 58 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.219 58 G C 1.776 176.682 174.900 0.011 0.000 1.150 58 G CA 1.089 46.221 45.100 0.053 0.000 0.763 58 G HN 0.407 nan 8.290 nan 0.000 0.561 59 C N 0.599 119.881 119.300 -0.030 0.000 2.419 59 C HA 0.021 4.480 4.460 -0.001 0.000 0.281 59 C C 3.183 178.057 174.990 -0.193 0.000 1.336 59 C CA 1.414 60.375 59.018 -0.095 0.000 1.770 59 C CB -0.999 26.731 27.740 -0.017 0.000 1.929 59 C HN 0.462 nan 8.230 nan 0.000 0.509 60 T N -0.180 114.288 114.554 -0.145 0.000 2.737 60 T HA -0.135 4.214 4.350 -0.001 0.000 0.265 60 T C 1.470 176.029 174.700 -0.234 0.000 1.038 60 T CA 1.502 63.484 62.100 -0.198 0.000 1.144 60 T CB -0.409 68.364 68.868 -0.159 0.000 0.866 60 T HN 0.547 nan 8.240 nan 0.000 0.434 61 Y N 1.547 121.719 120.300 -0.214 0.000 2.165 61 Y HA -0.057 4.493 4.550 -0.001 0.000 0.286 61 Y C 2.732 178.430 175.900 -0.337 0.000 1.155 61 Y CA 0.911 58.866 58.100 -0.242 0.000 1.164 61 Y CB -0.623 37.713 38.460 -0.206 0.000 0.978 61 Y HN 0.202 nan 8.280 nan 0.000 0.513 62 A N 0.127 122.770 122.820 -0.296 0.000 1.873 62 A HA -0.211 4.109 4.320 -0.001 0.000 0.215 62 A C 2.284 179.320 177.584 -0.913 0.000 1.186 62 A CA 1.692 53.314 52.037 -0.692 0.000 0.616 62 A CB -0.753 17.575 19.000 -1.120 0.000 0.823 62 A HN 0.411 nan 8.150 nan 0.000 0.442 63 R N -0.291 119.721 120.500 -0.813 0.000 2.094 63 R HA -0.192 4.147 4.340 -0.001 0.000 0.239 63 R C 2.071 178.173 176.300 -0.331 0.000 1.137 63 R CA 1.941 57.730 56.100 -0.519 0.000 0.943 63 R CB -0.296 29.704 30.300 -0.501 0.000 0.850 63 R HN 0.592 nan 8.270 nan 0.000 0.433 64 E N 0.284 120.317 120.200 -0.279 0.000 2.051 64 E HA -0.185 4.165 4.350 -0.001 0.000 0.192 64 E C 2.139 178.676 176.600 -0.105 0.000 0.991 64 E CA 1.339 57.647 56.400 -0.153 0.000 0.799 64 E CB -0.070 29.537 29.700 -0.156 0.000 0.748 64 E HN 0.440 nan 8.360 nan 0.000 0.449 65 L N 0.208 121.343 121.223 -0.146 0.000 2.202 65 L HA -0.043 4.296 4.340 -0.001 0.000 0.205 65 L C 2.541 179.471 176.870 0.100 0.000 1.083 65 L CA 0.212 55.017 54.840 -0.059 0.000 0.790 65 L CB -0.292 41.629 42.059 -0.231 0.000 0.942 65 L HN -0.068 nan 8.230 nan 0.000 0.452 66 V N 0.762 120.646 119.914 -0.050 0.000 2.332 66 V HA -0.224 3.895 4.120 -0.001 0.000 0.248 66 V C 2.608 178.742 176.094 0.066 0.000 1.055 66 V CA 2.136 64.450 62.300 0.023 0.000 1.038 66 V CB -1.286 30.481 31.823 -0.093 0.000 0.651 66 V HN 0.576 nan 8.190 nan 0.000 0.450 67 G N -0.720 108.089 108.800 0.015 0.000 2.470 67 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.220 67 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.220 67 G C 1.322 176.253 174.900 0.051 0.000 1.121 67 G CA 0.794 45.912 45.100 0.030 0.000 0.766 67 G HN 0.651 nan 8.290 nan 0.000 0.553 68 A N -0.638 122.244 122.820 0.103 0.000 2.379 68 A HA 0.532 4.851 4.320 -0.001 0.000 0.236 68 A C 1.778 179.387 177.584 0.041 0.000 1.272 68 A CA 1.032 53.140 52.037 0.118 0.000 0.886 68 A CB -0.255 18.888 19.000 0.238 0.000 0.962 68 A HN 1.455 nan 8.150 nan 0.000 0.504 69 G N -1.901 106.933 108.800 0.056 0.000 2.176 69 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.232 69 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.232 69 G C -0.032 174.845 174.900 -0.039 0.000 0.986 69 G CA 0.075 45.169 45.100 -0.009 0.000 0.643 69 G HN 0.392 nan 8.290 nan 0.000 0.522 70 Y N 0.645 120.979 120.300 0.057 0.000 2.397 70 Y HA 0.416 4.965 4.550 -0.001 0.000 0.335 70 Y C 1.116 177.067 175.900 0.084 0.000 1.213 70 Y CA 0.266 58.400 58.100 0.056 0.000 1.391 70 Y CB 0.728 39.201 38.460 0.022 0.000 1.293 70 Y HN 0.097 nan 8.280 nan 0.000 0.557 71 K N 2.954 123.486 120.400 0.219 0.000 2.273 71 K HA 0.424 4.743 4.320 -0.001 0.000 0.287 71 K C -1.584 175.159 176.600 0.238 0.000 1.089 71 K CA -0.179 56.226 56.287 0.197 0.000 0.909 71 K CB 0.067 32.644 32.500 0.128 0.000 1.123 71 K HN 0.487 nan 8.250 nan 0.000 0.473 72 V N 3.241 123.275 119.914 0.200 0.000 2.513 72 V HA 0.596 4.715 4.120 -0.001 0.000 0.299 72 V C -0.301 175.702 176.094 -0.153 0.000 1.035 72 V CA -0.918 61.440 62.300 0.096 0.000 0.889 72 V CB 1.449 33.378 31.823 0.177 0.000 0.988 72 V HN 0.885 nan 8.190 nan 0.000 0.440 73 A N 5.755 128.327 122.820 -0.414 0.000 2.342 73 A HA 0.927 5.246 4.320 -0.001 0.000 0.323 73 A C -0.655 176.589 177.584 -0.567 0.000 1.125 73 A CA -0.611 50.958 52.037 -0.780 0.000 0.785 73 A CB 1.536 19.727 19.000 -1.348 0.000 1.221 73 A HN 0.906 nan 8.150 nan 0.000 0.463 74 M N 2.382 121.577 119.600 -0.675 0.000 2.395 74 M HA 0.744 5.223 4.480 -0.001 0.000 0.307 74 M C -2.146 173.834 176.300 -0.534 0.000 1.091 74 M CA -0.450 54.639 55.300 -0.353 0.000 0.919 74 M CB 1.201 33.785 32.600 -0.028 0.000 1.662 74 M HN 0.598 nan 8.290 nan 0.000 0.440 75 F N 2.217 122.168 119.950 0.002 0.000 2.495 75 F HA 0.539 5.065 4.527 -0.001 0.000 0.327 75 F C -0.111 175.692 175.800 0.005 0.000 1.103 75 F CA -0.519 57.498 58.000 0.029 0.000 0.949 75 F CB 1.458 40.455 39.000 -0.006 0.000 1.142 75 F HN 0.458 nan 8.300 nan 0.000 0.457 76 D N 2.707 123.206 120.400 0.164 0.000 2.780 76 D HA 0.251 4.890 4.640 -0.001 0.000 0.242 76 D C 0.535 176.862 176.300 0.044 0.000 1.135 76 D CA -0.342 53.705 54.000 0.078 0.000 0.859 76 D CB 2.543 43.371 40.800 0.046 0.000 1.530 76 D HN 0.651 nan 8.370 nan 0.000 0.493 77 I N 1.835 122.382 120.570 -0.039 0.000 2.546 77 I HA 0.050 4.219 4.170 -0.001 0.000 0.255 77 I C 1.112 177.177 176.117 -0.086 0.000 1.163 77 I CA 0.715 61.936 61.300 -0.132 0.000 1.457 77 I CB 0.179 37.979 38.000 -0.332 0.000 1.092 77 I HN 0.324 nan 8.210 nan 0.000 0.434 78 G N -0.047 108.730 108.800 -0.039 0.000 2.537 78 G HA2 0.409 4.369 3.960 -0.001 0.000 0.297 78 G HA3 0.409 4.369 3.960 -0.001 0.000 0.297 78 G C -0.896 174.022 174.900 0.030 0.000 1.310 78 G CA -0.419 44.685 45.100 0.006 0.000 1.027 78 G HN 0.301 nan 8.290 nan 0.000 0.505 79 E N -1.468 118.756 120.200 0.040 0.000 2.320 79 E HA 0.398 4.747 4.350 -0.001 0.000 0.264 79 E C -0.629 175.996 176.600 0.042 0.000 0.923 79 E CA -0.730 55.696 56.400 0.042 0.000 0.796 79 E CB 2.591 32.319 29.700 0.046 0.000 1.262 79 E HN 0.259 nan 8.360 nan 0.000 0.428 80 I N 2.497 123.090 120.570 0.038 0.000 2.396 80 I HA 0.051 4.221 4.170 -0.001 0.000 0.289 80 I C 0.190 176.335 176.117 0.047 0.000 1.056 80 I CA 0.526 61.850 61.300 0.039 0.000 1.365 80 I CB 0.271 38.289 38.000 0.029 0.000 1.407 80 I HN 0.602 nan 8.210 nan 0.000 0.509 81 D N 2.266 122.699 120.400 0.056 0.000 2.480 81 D HA 0.021 4.660 4.640 -0.001 0.000 0.276 81 D C 0.403 176.753 176.300 0.083 0.000 1.294 81 D CA -0.060 53.979 54.000 0.065 0.000 0.829 81 D CB 0.014 40.852 40.800 0.063 0.000 1.242 81 D HN 0.337 nan 8.370 nan 0.000 0.513 82 S N 0.025 115.778 115.700 0.090 0.000 2.502 82 S HA 0.592 5.061 4.470 -0.001 0.000 0.251 82 S C 1.194 175.853 174.600 0.097 0.000 1.254 82 S CA -0.095 58.173 58.200 0.115 0.000 0.989 82 S CB 0.069 63.342 63.200 0.121 0.000 1.015 82 S HN 0.399 nan 8.310 nan 0.000 0.529 83 G N -0.415 108.445 108.800 0.100 0.000 2.783 83 G HA2 0.376 4.335 3.960 -0.001 0.000 0.182 83 G HA3 0.376 4.335 3.960 -0.001 0.000 0.182 83 G C 0.556 175.489 174.900 0.056 0.000 1.516 83 G CA -0.549 44.597 45.100 0.078 0.000 1.079 83 G HN 0.493 nan 8.290 nan 0.000 0.573 84 L N -0.355 120.894 121.223 0.043 0.000 2.418 84 L HA 0.135 4.475 4.340 -0.001 0.000 0.218 84 L C 0.887 177.767 176.870 0.017 0.000 1.125 84 L CA 0.561 55.416 54.840 0.024 0.000 0.835 84 L CB -0.150 41.918 42.059 0.015 0.000 0.953 84 L HN 0.203 nan 8.230 nan 0.000 0.454 85 K N 1.893 122.312 120.400 0.031 0.000 2.250 85 K HA 0.309 4.628 4.320 -0.001 0.000 0.285 85 K C -0.266 176.354 176.600 0.033 0.000 1.097 85 K CA -0.181 56.121 56.287 0.025 0.000 0.913 85 K CB 0.743 33.271 32.500 0.047 0.000 1.179 85 K HN 0.110 nan 8.250 nan 0.000 0.462 86 I N 1.926 122.501 120.570 0.008 0.000 2.533 86 I HA -0.039 4.130 4.170 -0.001 0.000 0.284 86 I C 1.326 177.460 176.117 0.028 0.000 1.109 86 I CA 0.656 61.966 61.300 0.017 0.000 1.412 86 I CB 0.501 38.502 38.000 0.001 0.000 1.396 86 I HN 0.939 nan 8.210 nan 0.000 0.543 87 G N 4.337 113.165 108.800 0.047 0.000 2.143 87 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.248 87 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.248 87 G C 0.303 175.249 174.900 0.077 0.000 0.991 87 G CA 0.082 45.213 45.100 0.052 0.000 0.689 87 G HN 0.947 nan 8.290 nan 0.000 0.522 88 A N -0.439 122.441 122.820 0.101 0.000 2.272 88 A HA 0.644 4.963 4.320 -0.001 0.000 0.275 88 A C 0.528 178.232 177.584 0.200 0.000 1.096 88 A CA -0.322 51.810 52.037 0.159 0.000 0.822 88 A CB 0.339 19.431 19.000 0.154 0.000 1.088 88 A HN 0.623 nan 8.150 nan 0.000 0.495 89 H N 0.364 119.556 119.070 0.204 0.000 2.767 89 H HA 0.140 4.695 4.556 -0.001 0.000 0.316 89 H C 0.664 176.109 175.328 0.195 0.000 1.059 89 H CA 0.586 56.768 56.048 0.223 0.000 1.461 89 H CB 0.911 30.824 29.762 0.251 0.000 1.475 89 H HN 0.676 nan 8.280 nan 0.000 0.531 90 K N 3.384 123.978 120.400 0.322 0.000 2.365 90 K HA -0.097 4.222 4.320 -0.001 0.000 0.199 90 K C 1.635 178.440 176.600 0.341 0.000 1.045 90 K CA 0.645 57.165 56.287 0.389 0.000 0.962 90 K CB 0.375 33.136 32.500 0.435 0.000 0.759 90 K HN 0.414 nan 8.250 nan 0.000 0.469 91 K N 0.994 121.441 120.400 0.079 0.000 2.487 91 K HA 0.007 4.326 4.320 -0.001 0.000 0.192 91 K C 0.338 176.926 176.600 -0.019 0.000 1.027 91 K CA 0.336 56.322 56.287 -0.503 0.000 1.054 91 K CB 0.261 32.038 32.500 -1.205 0.000 0.824 91 K HN -0.029 nan 8.250 nan 0.000 0.510 92 N N 1.891 120.708 118.700 0.195 0.000 2.484 92 N HA -0.017 4.722 4.740 -0.001 0.000 0.245 92 N C -0.797 174.981 175.510 0.447 0.000 1.184 92 N CA 0.290 53.519 53.050 0.298 0.000 0.884 92 N CB 0.607 39.292 38.487 0.330 0.000 1.182 92 N HN 0.274 nan 8.380 nan 0.000 0.493 93 T N -4.466 110.324 114.554 0.393 0.000 2.918 93 T HA 0.343 4.692 4.350 -0.001 0.000 0.286 93 T C 1.521 176.455 174.700 0.390 0.000 1.026 93 T CA -0.784 61.523 62.100 0.345 0.000 1.031 93 T CB 1.634 70.648 68.868 0.244 0.000 1.046 93 T HN -0.192 nan 8.240 nan 0.000 0.479 94 V N 1.219 121.305 119.914 0.287 0.000 2.332 94 V HA -0.132 3.987 4.120 -0.001 0.000 0.248 94 V C 2.818 178.993 176.094 0.136 0.000 1.055 94 V CA 2.434 64.877 62.300 0.240 0.000 1.038 94 V CB -1.008 30.865 31.823 0.083 0.000 0.651 94 V HN 1.055 nan 8.190 nan 0.000 0.450 95 E N -0.363 119.855 120.200 0.030 0.000 2.077 95 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 95 E C 1.988 178.530 176.600 -0.097 0.000 0.989 95 E CA 1.700 58.049 56.400 -0.085 0.000 0.800 95 E CB -0.325 29.258 29.700 -0.196 0.000 0.746 95 E HN 0.678 nan 8.360 nan 0.000 0.452 96 Y N 0.629 120.998 120.300 0.115 0.000 2.337 96 Y HA 0.031 4.580 4.550 -0.001 0.000 0.293 96 Y C 2.151 178.073 175.900 0.037 0.000 1.123 96 Y CA 1.132 59.286 58.100 0.091 0.000 1.201 96 Y CB -0.166 38.342 38.460 0.080 0.000 1.011 96 Y HN 0.150 nan 8.280 nan 0.000 0.545 97 Q N -0.099 119.808 119.800 0.178 0.000 2.369 97 Q HA -0.112 4.228 4.340 -0.001 0.000 0.206 97 Q C 1.437 177.498 176.000 0.101 0.000 0.963 97 Q CA 0.877 56.739 55.803 0.098 0.000 0.894 97 Q CB 0.001 28.752 28.738 0.022 0.000 0.965 97 Q HN 0.447 nan 8.270 nan 0.000 0.475 98 K N 0.084 120.545 120.400 0.101 0.000 2.393 98 K HA 0.102 4.421 4.320 -0.001 0.000 0.193 98 K C 0.183 176.823 176.600 0.066 0.000 1.026 98 K CA 0.221 56.551 56.287 0.072 0.000 1.064 98 K CB 0.575 33.106 32.500 0.051 0.000 0.833 98 K HN 0.098 nan 8.250 nan 0.000 0.521 99 N N 1.068 119.827 118.700 0.099 0.000 2.620 99 N HA 0.056 4.795 4.740 -0.001 0.000 0.277 99 N C 0.203 175.829 175.510 0.193 0.000 1.726 99 N CA 0.040 53.157 53.050 0.113 0.000 0.840 99 N CB 0.863 39.400 38.487 0.082 0.000 1.379 99 N HN 0.022 nan 8.380 nan 0.000 0.506 100 I N 0.595 121.254 120.570 0.149 0.000 2.454 100 I HA -0.185 3.984 4.170 -0.001 0.000 0.254 100 I C 0.996 177.197 176.117 0.140 0.000 1.156 100 I CA 1.481 62.865 61.300 0.140 0.000 1.433 100 I CB 0.265 38.297 38.000 0.055 0.000 1.082 100 I HN 0.149 nan 8.210 nan 0.000 0.432 101 D N 0.866 121.334 120.400 0.112 0.000 2.264 101 D HA -0.150 4.489 4.640 -0.001 0.000 0.208 101 D C 1.845 178.212 176.300 0.111 0.000 0.966 101 D CA 0.683 54.736 54.000 0.088 0.000 0.864 101 D CB 0.058 40.897 40.800 0.065 0.000 0.933 101 D HN 0.326 nan 8.370 nan 0.000 0.499 102 K N 0.240 120.750 120.400 0.184 0.000 2.288 102 K HA -0.068 4.252 4.320 -0.001 0.000 0.201 102 K C 1.744 178.455 176.600 0.185 0.000 1.048 102 K CA 0.010 56.427 56.287 0.216 0.000 0.956 102 K CB -0.372 32.318 32.500 0.316 0.000 0.746 102 K HN 0.190 nan 8.250 nan 0.000 0.461 103 F N 1.545 121.486 119.950 -0.015 0.000 2.365 103 F HA -0.135 4.391 4.527 -0.001 0.000 0.300 103 F C 1.864 177.540 175.800 -0.207 0.000 1.090 103 F CA 0.407 58.226 58.000 -0.301 0.000 1.408 103 F CB -0.051 38.734 39.000 -0.358 0.000 1.060 103 F HN -0.305 nan 8.300 nan 0.000 0.534 104 V N 0.627 120.479 119.914 -0.104 0.000 2.332 104 V HA -0.385 3.735 4.120 -0.001 0.000 0.248 104 V C 1.833 177.799 176.094 -0.214 0.000 1.055 104 V CA 2.517 64.723 62.300 -0.158 0.000 1.038 104 V CB -0.958 30.825 31.823 -0.066 0.000 0.651 104 V HN 0.384 nan 8.190 nan 0.000 0.450 105 N N -0.147 118.458 118.700 -0.158 0.000 2.188 105 N HA -0.130 4.609 4.740 -0.001 0.000 0.184 105 N C 1.668 177.042 175.510 -0.226 0.000 1.018 105 N CA 1.247 54.216 53.050 -0.135 0.000 0.858 105 N CB -0.322 38.136 38.487 -0.047 0.000 0.989 105 N HN 0.316 nan 8.380 nan 0.000 0.426 106 V N 1.443 121.131 119.914 -0.376 0.000 2.332 106 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 106 V C 2.040 177.815 176.094 -0.532 0.000 1.055 106 V CA 1.511 63.512 62.300 -0.499 0.000 1.038 106 V CB -0.546 30.733 31.823 -0.907 0.000 0.651 106 V HN 0.323 nan 8.190 nan 0.000 0.450 107 I N -0.436 119.729 120.570 -0.674 0.000 2.226 107 I HA -0.298 3.872 4.170 -0.001 0.000 0.245 107 I C 2.688 178.586 176.117 -0.365 0.000 1.100 107 I CA 1.563 62.503 61.300 -0.600 0.000 1.374 107 I CB -0.454 37.200 38.000 -0.577 0.000 1.057 107 I HN 0.352 nan 8.210 nan 0.000 0.413 108 Q N 0.516 120.165 119.800 -0.251 0.000 2.135 108 Q HA -0.167 4.172 4.340 -0.001 0.000 0.204 108 Q C 2.252 178.186 176.000 -0.110 0.000 0.981 108 Q CA 1.590 57.310 55.803 -0.138 0.000 0.856 108 Q CB -0.444 28.238 28.738 -0.093 0.000 0.902 108 Q HN 0.647 nan 8.270 nan 0.000 0.425 109 G N 0.942 109.665 108.800 -0.128 0.000 2.598 109 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.215 109 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.215 109 G C 0.922 175.787 174.900 -0.058 0.000 1.131 109 G CA 0.512 45.565 45.100 -0.079 0.000 0.785 109 G HN 0.471 nan 8.290 nan 0.000 0.539 110 Q N -0.592 119.158 119.800 -0.084 0.000 2.110 110 Q HA 0.404 4.744 4.340 -0.001 0.000 0.232 110 Q C -0.338 175.667 176.000 0.008 0.000 0.810 110 Q CA -0.281 55.510 55.803 -0.020 0.000 1.083 110 Q CB 0.140 28.884 28.738 0.009 0.000 1.193 110 Q HN 0.230 nan 8.270 nan 0.000 0.471 111 L N 2.068 123.278 121.223 -0.021 0.000 2.301 111 L HA 0.505 4.845 4.340 -0.001 0.000 0.278 111 L C -0.896 175.999 176.870 0.041 0.000 1.022 111 L CA -0.811 54.042 54.840 0.022 0.000 0.854 111 L CB 1.104 43.156 42.059 -0.011 0.000 1.226 111 L HN 0.219 nan 8.230 nan 0.000 0.429 112 M N 2.080 121.726 119.600 0.076 0.000 2.084 112 M HA 0.223 4.702 4.480 -0.001 0.000 0.351 112 M C 0.377 176.731 176.300 0.090 0.000 1.240 112 M CA 0.089 55.439 55.300 0.083 0.000 1.083 112 M CB 1.325 33.993 32.600 0.114 0.000 1.593 112 M HN 0.317 nan 8.290 nan 0.000 0.463 113 S N 2.029 117.768 115.700 0.065 0.000 2.563 113 S HA 0.054 4.523 4.470 -0.001 0.000 0.294 113 S C 1.522 176.170 174.600 0.080 0.000 1.279 113 S CA -0.556 57.681 58.200 0.062 0.000 1.069 113 S CB 0.484 63.707 63.200 0.037 0.000 0.828 113 S HN 0.585 nan 8.310 nan 0.000 0.497 114 V N 2.551 122.525 119.914 0.100 0.000 2.283 114 V HA -0.005 4.115 4.120 -0.001 0.000 0.243 114 V C 1.232 177.347 176.094 0.035 0.000 1.039 114 V CA 1.479 63.835 62.300 0.093 0.000 1.016 114 V CB -0.009 31.913 31.823 0.164 0.000 0.650 114 V HN 0.794 nan 8.190 nan 0.000 0.449 115 S N -0.476 115.261 115.700 0.062 0.000 2.776 115 S HA 0.510 4.979 4.470 -0.001 0.000 0.284 115 S C -1.089 173.521 174.600 0.017 0.000 1.160 115 S CA -0.462 57.736 58.200 -0.004 0.000 1.051 115 S CB 1.404 64.577 63.200 -0.045 0.000 1.037 115 S HN 0.016 nan 8.310 nan 0.000 0.485 116 V N 7.885 127.795 119.914 -0.006 0.000 2.370 116 V HA 0.532 4.651 4.120 -0.001 0.000 0.283 116 V C -1.947 174.133 176.094 -0.024 0.000 1.023 116 V CA -1.812 60.482 62.300 -0.010 0.000 0.857 116 V CB 1.381 33.198 31.823 -0.010 0.000 0.985 116 V HN 0.692 nan 8.190 nan 0.000 0.443 117 P HA 0.155 nan 4.420 nan 0.000 0.272 117 P C -0.140 177.136 177.300 -0.041 0.000 1.240 117 P CA -0.147 62.935 63.100 -0.031 0.000 0.791 117 P CB 0.820 32.502 31.700 -0.031 0.000 0.978 118 V N 2.482 122.375 119.914 -0.036 0.000 2.599 118 V HA -0.044 4.075 4.120 -0.001 0.000 0.300 118 V C 1.309 177.349 176.094 -0.090 0.000 1.034 118 V CA 0.220 62.494 62.300 -0.043 0.000 1.115 118 V CB -0.581 31.241 31.823 -0.001 0.000 0.934 118 V HN 0.627 nan 8.190 nan 0.000 0.485 119 N N 3.342 121.980 118.700 -0.104 0.000 2.520 119 N HA 0.111 4.851 4.740 -0.001 0.000 0.273 119 N C 0.490 175.825 175.510 -0.292 0.000 1.155 119 N CA 0.429 53.392 53.050 -0.145 0.000 0.967 119 N CB 1.522 39.951 38.487 -0.096 0.000 1.092 119 N HN 0.861 nan 8.380 nan 0.000 0.457 120 T N 0.625 114.911 114.554 -0.447 0.000 3.339 120 T HA 0.271 4.621 4.350 -0.001 0.000 0.292 120 T C 0.710 175.045 174.700 -0.608 0.000 1.012 120 T CA -0.465 61.005 62.100 -1.050 0.000 0.937 120 T CB -0.439 67.821 68.868 -1.012 0.000 1.164 120 T HN 0.272 nan 8.240 nan 0.000 0.509 121 L N 1.858 122.940 121.223 -0.234 0.000 2.456 121 L HA 0.376 4.715 4.340 -0.001 0.000 0.272 121 L C 0.084 177.003 176.870 0.081 0.000 1.189 121 L CA -0.720 54.082 54.840 -0.064 0.000 0.846 121 L CB 0.906 42.950 42.059 -0.026 0.000 1.111 121 L HN 0.088 nan 8.230 nan 0.000 0.475 122 V N 4.565 124.539 119.914 0.100 0.000 2.385 122 V HA 0.147 4.266 4.120 -0.001 0.000 0.269 122 V C 0.178 176.334 176.094 0.104 0.000 1.043 122 V CA -0.451 61.950 62.300 0.168 0.000 0.906 122 V CB 1.441 33.347 31.823 0.138 0.000 0.995 122 V HN 0.415 nan 8.190 nan 0.000 0.467 123 V N 5.515 125.493 119.914 0.108 0.000 2.277 123 V HA 0.280 4.400 4.120 -0.001 0.000 0.269 123 V C 0.407 176.533 176.094 0.053 0.000 1.036 123 V CA -0.421 61.922 62.300 0.071 0.000 0.821 123 V CB 1.057 32.925 31.823 0.075 0.000 1.052 123 V HN 1.051 nan 8.190 nan 0.000 0.462 124 D N 1.868 122.292 120.400 0.040 0.000 2.402 124 D HA -0.017 4.623 4.640 -0.001 0.000 0.216 124 D C 1.252 177.561 176.300 0.016 0.000 1.128 124 D CA 0.301 54.315 54.000 0.022 0.000 0.833 124 D CB 0.339 41.151 40.800 0.020 0.000 0.971 124 D HN 0.544 nan 8.370 nan 0.000 0.503 125 T N -1.702 112.865 114.554 0.022 0.000 3.215 125 T HA 0.316 4.666 4.350 -0.001 0.000 0.271 125 T C 0.706 175.419 174.700 0.022 0.000 1.012 125 T CA -0.604 61.508 62.100 0.019 0.000 0.899 125 T CB -0.377 68.503 68.868 0.019 0.000 1.089 125 T HN 0.024 nan 8.240 nan 0.000 0.552 126 L N 1.945 123.183 121.223 0.025 0.000 2.483 126 L HA 0.264 4.603 4.340 -0.001 0.000 0.276 126 L C 1.181 178.063 176.870 0.020 0.000 1.213 126 L CA -0.482 54.377 54.840 0.030 0.000 0.843 126 L CB 0.413 42.494 42.059 0.037 0.000 1.107 126 L HN 0.276 nan 8.230 nan 0.000 0.487 127 S N 2.193 117.908 115.700 0.024 0.000 2.563 127 S HA 0.059 4.528 4.470 -0.001 0.000 0.284 127 S C -1.422 173.184 174.600 0.010 0.000 1.331 127 S CA -0.960 57.251 58.200 0.018 0.000 1.047 127 S CB 0.769 63.984 63.200 0.024 0.000 0.859 127 S HN 0.401 nan 8.310 nan 0.000 0.514 128 P HA -0.066 nan 4.420 nan 0.000 0.221 128 P C 1.267 178.563 177.300 -0.006 0.000 1.145 128 P CA 1.256 64.350 63.100 -0.010 0.000 0.795 128 P CB -0.124 31.570 31.700 -0.010 0.000 0.775 129 T N -5.848 108.712 114.554 0.010 0.000 3.067 129 T HA 0.107 4.457 4.350 -0.001 0.000 0.261 129 T C 1.039 175.765 174.700 0.044 0.000 1.110 129 T CA 0.038 62.151 62.100 0.022 0.000 1.113 129 T CB -0.544 68.340 68.868 0.027 0.000 0.917 129 T HN -0.111 nan 8.240 nan 0.000 0.499 130 S N 1.348 117.079 115.700 0.051 0.000 2.564 130 S HA 0.255 4.725 4.470 -0.001 0.000 0.278 130 S C -0.523 174.149 174.600 0.121 0.000 1.333 130 S CA -0.964 57.296 58.200 0.099 0.000 1.048 130 S CB 0.089 63.345 63.200 0.095 0.000 0.900 130 S HN 0.591 nan 8.310 nan 0.000 0.505 131 W N 3.161 124.471 121.300 0.017 0.000 2.347 131 W HA 0.134 4.793 4.660 -0.001 0.000 0.333 131 W C 0.333 176.871 176.519 0.031 0.000 1.383 131 W CA 0.361 57.716 57.345 0.017 0.000 1.283 131 W CB 0.157 29.627 29.460 0.017 0.000 1.253 131 W HN 0.541 nan 8.180 nan 0.000 0.563 132 Q N 5.293 124.753 119.800 -0.567 0.000 2.337 132 Q HA 0.601 4.941 4.340 -0.001 0.000 0.270 132 Q C -0.507 174.990 176.000 -0.839 0.000 1.043 132 Q CA -0.844 54.706 55.803 -0.422 0.000 0.794 132 Q CB 1.647 30.227 28.738 -0.263 0.000 1.281 132 Q HN 0.600 nan 8.270 nan 0.000 0.446 133 A N 2.368 124.956 122.820 -0.387 0.000 2.425 133 A HA 0.262 4.581 4.320 -0.001 0.000 0.242 133 A C 0.415 177.842 177.584 -0.263 0.000 1.077 133 A CA -0.025 51.867 52.037 -0.241 0.000 0.781 133 A CB 0.692 19.897 19.000 0.342 0.000 1.020 133 A HN 0.883 nan 8.150 nan 0.000 0.494 134 S N -0.714 114.860 115.700 -0.210 0.000 2.502 134 S HA 0.146 4.615 4.470 -0.001 0.000 0.215 134 S C 0.777 175.282 174.600 -0.158 0.000 1.009 134 S CA 0.730 58.822 58.200 -0.180 0.000 0.908 134 S CB -0.009 63.101 63.200 -0.150 0.000 0.801 134 S HN 1.113 nan 8.310 nan 0.000 0.505 135 T N -1.312 113.195 114.554 -0.079 0.000 2.838 135 T HA 0.638 4.988 4.350 -0.001 0.000 0.292 135 T C -0.960 173.685 174.700 -0.092 0.000 1.113 135 T CA -0.728 61.306 62.100 -0.109 0.000 1.008 135 T CB 0.641 69.550 68.868 0.069 0.000 1.259 135 T HN -0.093 nan 8.240 nan 0.000 0.520 136 F N 2.913 122.953 119.950 0.150 0.000 2.605 136 F HA 0.399 4.925 4.527 -0.001 0.000 0.352 136 F C 0.353 176.216 175.800 0.105 0.000 1.236 136 F CA -1.845 56.201 58.000 0.076 0.000 1.267 136 F CB -1.020 37.994 39.000 0.023 0.000 1.632 136 F HN 0.545 nan 8.300 nan 0.000 0.639 137 F N -0.761 119.300 119.950 0.185 0.000 2.362 137 F HA 0.643 5.169 4.527 -0.001 0.000 0.311 137 F C -0.105 175.770 175.800 0.125 0.000 1.161 137 F CA -1.697 56.385 58.000 0.137 0.000 1.085 137 F CB -0.129 38.943 39.000 0.120 0.000 1.311 137 F HN -0.183 nan 8.300 nan 0.000 0.524 138 V N 2.721 122.781 119.914 0.243 0.000 2.421 138 V HA 0.265 4.385 4.120 -0.001 0.000 0.271 138 V C 0.091 176.197 176.094 0.020 0.000 1.031 138 V CA -0.074 62.276 62.300 0.084 0.000 1.032 138 V CB -0.507 31.388 31.823 0.119 0.000 1.009 138 V HN 0.678 nan 8.190 nan 0.000 0.477 139 R N 3.991 124.400 120.500 -0.152 0.000 2.778 139 R HA 0.495 4.834 4.340 -0.001 0.000 0.277 139 R C 0.390 176.655 176.300 -0.059 0.000 0.977 139 R CA -0.843 55.168 56.100 -0.149 0.000 0.950 139 R CB 0.930 31.049 30.300 -0.302 0.000 1.165 139 R HN 0.689 nan 8.270 nan 0.000 0.474 140 N N 0.842 119.529 118.700 -0.022 0.000 2.721 140 N HA -0.191 4.548 4.740 -0.001 0.000 0.249 140 N C 0.388 175.891 175.510 -0.012 0.000 1.072 140 N CA 1.520 54.560 53.050 -0.016 0.000 0.710 140 N CB -1.243 37.228 38.487 -0.026 0.000 0.993 140 N HN 1.065 nan 8.380 nan 0.000 0.547 141 G N -1.847 106.951 108.800 -0.003 0.000 2.143 141 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.248 141 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.248 141 G C 0.345 175.244 174.900 -0.002 0.000 0.991 141 G CA 0.960 46.060 45.100 0.001 0.000 0.689 141 G HN 1.305 nan 8.290 nan 0.000 0.522 142 S N -0.793 114.900 115.700 -0.010 0.000 2.608 142 S HA 0.508 4.977 4.470 -0.001 0.000 0.261 142 S C 0.158 174.752 174.600 -0.010 0.000 1.314 142 S CA 0.037 58.227 58.200 -0.016 0.000 0.992 142 S CB 1.699 64.881 63.200 -0.030 0.000 0.935 142 S HN 0.630 nan 8.310 nan 0.000 0.564 143 N N 1.620 120.307 118.700 -0.022 0.000 2.558 143 N HA 0.381 5.120 4.740 -0.001 0.000 0.242 143 N C -1.816 173.682 175.510 -0.020 0.000 0.979 143 N CA -2.520 50.509 53.050 -0.034 0.000 0.931 143 N CB 1.279 39.719 38.487 -0.078 0.000 1.122 143 N HN 0.359 nan 8.380 nan 0.000 0.508 144 P HA -0.049 nan 4.420 nan 0.000 0.230 144 P C 0.311 177.636 177.300 0.042 0.000 1.158 144 P CA 0.819 63.940 63.100 0.034 0.000 0.769 144 P CB 0.587 32.322 31.700 0.059 0.000 0.807 145 E N -0.212 119.999 120.200 0.018 0.000 2.285 145 E HA -0.086 4.264 4.350 -0.001 0.000 0.194 145 E C 0.893 177.513 176.600 0.033 0.000 0.997 145 E CA 0.550 56.983 56.400 0.056 0.000 0.845 145 E CB -0.096 29.582 29.700 -0.036 0.000 0.782 145 E HN 0.301 nan 8.360 nan 0.000 0.491 146 Q N 2.207 121.987 119.800 -0.033 0.000 2.307 146 Q HA 0.029 4.369 4.340 -0.001 0.000 0.259 146 Q C -0.849 175.163 176.000 0.020 0.000 0.998 146 Q CA -0.189 55.593 55.803 -0.035 0.000 0.923 146 Q CB 0.781 29.481 28.738 -0.063 0.000 1.196 146 Q HN -0.192 nan 8.270 nan 0.000 0.416 147 D N 5.997 126.428 120.400 0.053 0.000 2.358 147 D HA 0.062 4.701 4.640 -0.001 0.000 0.258 147 D C -1.710 174.607 176.300 0.029 0.000 1.223 147 D CA -1.894 52.135 54.000 0.049 0.000 0.886 147 D CB 1.265 42.107 40.800 0.070 0.000 1.120 147 D HN 0.428 nan 8.370 nan 0.000 0.482 148 P HA -0.070 nan 4.420 nan 0.000 0.226 148 P C 1.217 178.518 177.300 0.001 0.000 1.153 148 P CA 0.631 63.728 63.100 -0.004 0.000 0.777 148 P CB 0.328 32.012 31.700 -0.027 0.000 0.794 149 L N -1.235 119.993 121.223 0.008 0.000 2.607 149 L HA 0.189 4.528 4.340 -0.001 0.000 0.228 149 L C 1.446 178.328 176.870 0.019 0.000 1.123 149 L CA 0.254 55.098 54.840 0.007 0.000 0.890 149 L CB -0.141 41.919 42.059 0.002 0.000 1.103 149 L HN -0.165 nan 8.230 nan 0.000 0.468 150 R N -0.299 120.223 120.500 0.038 0.000 2.688 150 R HA 0.201 4.541 4.340 -0.001 0.000 0.396 150 R C -0.406 175.952 176.300 0.097 0.000 1.081 150 R CA -0.267 55.868 56.100 0.059 0.000 1.093 150 R CB 0.351 30.688 30.300 0.061 0.000 1.338 150 R HN 0.041 nan 8.270 nan 0.000 0.613 151 N N 0.528 119.262 118.700 0.057 0.000 2.483 151 N HA 0.379 5.118 4.740 -0.001 0.000 0.285 151 N C -0.686 174.741 175.510 -0.139 0.000 1.210 151 N CA -0.619 52.449 53.050 0.030 0.000 0.931 151 N CB 1.152 39.651 38.487 0.021 0.000 1.220 151 N HN 0.076 nan 8.380 nan 0.000 0.542 152 L N 2.009 122.981 121.223 -0.419 0.000 2.494 152 L HA 0.226 4.565 4.340 -0.001 0.000 0.251 152 L C 1.393 178.065 176.870 -0.331 0.000 1.119 152 L CA -0.303 54.167 54.840 -0.616 0.000 1.026 152 L CB 0.467 41.772 42.059 -1.257 0.000 1.370 152 L HN 0.630 nan 8.230 nan 0.000 0.426 153 S N -0.234 115.371 115.700 -0.159 0.000 2.419 153 S HA -0.117 4.353 4.470 -0.001 0.000 0.233 153 S C 1.809 176.366 174.600 -0.070 0.000 1.016 153 S CA 0.983 59.138 58.200 -0.075 0.000 0.974 153 S CB -0.180 62.989 63.200 -0.051 0.000 0.786 153 S HN 0.640 nan 8.310 nan 0.000 0.492 154 G N 0.503 109.241 108.800 -0.103 0.000 2.712 154 G HA2 0.065 4.025 3.960 -0.001 0.000 0.212 154 G HA3 0.065 4.025 3.960 -0.001 0.000 0.212 154 G C 0.596 175.462 174.900 -0.055 0.000 1.142 154 G CA -0.251 44.803 45.100 -0.076 0.000 0.789 154 G HN 0.373 nan 8.290 nan 0.000 0.535 155 Q N 0.637 120.379 119.800 -0.096 0.000 2.300 155 Q HA 0.481 4.820 4.340 -0.001 0.000 0.280 155 Q C -0.096 175.937 176.000 0.054 0.000 1.033 155 Q CA 0.310 56.090 55.803 -0.039 0.000 0.903 155 Q CB 1.313 29.989 28.738 -0.104 0.000 1.195 155 Q HN 0.295 nan 8.270 nan 0.000 0.386 156 A N 2.143 125.011 122.820 0.080 0.000 2.594 156 A HA 0.742 5.061 4.320 -0.001 0.000 0.291 156 A C -0.921 176.737 177.584 0.123 0.000 1.105 156 A CA -0.550 51.546 52.037 0.097 0.000 0.694 156 A CB 1.305 20.353 19.000 0.079 0.000 1.291 156 A HN 0.473 nan 8.150 nan 0.000 0.410 157 V N -2.214 117.785 119.914 0.142 0.000 3.046 157 V HA 0.954 5.074 4.120 -0.001 0.000 0.316 157 V C -0.412 175.785 176.094 0.172 0.000 1.104 157 V CA -0.567 61.837 62.300 0.174 0.000 1.006 157 V CB 1.676 33.647 31.823 0.247 0.000 1.058 157 V HN 0.880 nan 8.190 nan 0.000 0.440 158 T N 2.268 116.924 114.554 0.170 0.000 2.847 158 T HA 0.536 4.885 4.350 -0.001 0.000 0.291 158 T C -0.324 174.440 174.700 0.106 0.000 0.998 158 T CA -0.419 61.770 62.100 0.147 0.000 0.967 158 T CB 0.915 69.895 68.868 0.187 0.000 0.954 158 T HN 0.748 nan 8.240 nan 0.000 0.441 159 R N 2.749 123.301 120.500 0.086 0.000 2.423 159 R HA 0.581 4.920 4.340 -0.001 0.000 0.293 159 R C -0.427 175.899 176.300 0.043 0.000 1.196 159 R CA -0.548 55.575 56.100 0.039 0.000 1.262 159 R CB 0.548 30.852 30.300 0.006 0.000 1.116 159 R HN 0.515 nan 8.270 nan 0.000 0.566 160 V N -1.961 117.977 119.914 0.040 0.000 3.188 160 V HA 0.466 4.585 4.120 -0.001 0.000 0.305 160 V C -0.092 176.020 176.094 0.031 0.000 1.232 160 V CA -1.141 61.183 62.300 0.041 0.000 1.043 160 V CB 1.993 33.847 31.823 0.053 0.000 1.068 160 V HN 0.094 nan 8.190 nan 0.000 0.439 161 V N 2.802 122.737 119.914 0.035 0.000 2.529 161 V HA 0.538 4.657 4.120 -0.001 0.000 0.292 161 V C 1.647 177.758 176.094 0.029 0.000 1.028 161 V CA 1.867 64.187 62.300 0.035 0.000 1.074 161 V CB 0.095 31.942 31.823 0.039 0.000 0.958 161 V HN 2.044 nan 8.190 nan 0.000 0.481 162 G N 3.464 112.277 108.800 0.021 0.000 2.194 162 G HA2 -0.027 3.932 3.960 -0.001 0.000 0.236 162 G HA3 -0.027 3.932 3.960 -0.001 0.000 0.236 162 G C 0.976 175.849 174.900 -0.046 0.000 0.987 162 G CA 0.257 45.355 45.100 -0.002 0.000 0.635 162 G HN 2.047 nan 8.290 nan 0.000 0.520 163 G N 0.172 108.956 108.800 -0.026 0.000 2.602 163 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.306 163 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.306 163 G C 1.201 176.037 174.900 -0.108 0.000 1.301 163 G CA 1.325 46.401 45.100 -0.038 0.000 0.974 163 G HN 1.087 nan 8.290 nan 0.000 0.547 164 M N 1.560 121.058 119.600 -0.171 0.000 2.557 164 M HA -0.000 4.479 4.480 -0.001 0.000 0.259 164 M C 2.753 178.685 176.300 -0.613 0.000 1.086 164 M CA 1.635 56.688 55.300 -0.411 0.000 1.096 164 M CB -0.195 32.262 32.600 -0.238 0.000 1.424 164 M HN 0.718 nan 8.290 nan 0.000 0.488 165 S N -0.259 115.139 115.700 -0.503 0.000 2.507 165 S HA -0.093 4.376 4.470 -0.001 0.000 0.235 165 S C 1.736 176.183 174.600 -0.255 0.000 0.988 165 S CA 1.370 59.170 58.200 -0.668 0.000 0.944 165 S CB -0.958 61.897 63.200 -0.575 0.000 0.762 165 S HN 0.589 nan 8.310 nan 0.000 0.526 166 T N -0.689 113.722 114.554 -0.238 0.000 3.118 166 T HA -0.003 4.346 4.350 -0.001 0.000 0.260 166 T C 1.389 175.911 174.700 -0.296 0.000 1.139 166 T CA 0.961 62.952 62.100 -0.181 0.000 1.085 166 T CB -0.710 68.143 68.868 -0.025 0.000 0.934 166 T HN 0.923 nan 8.240 nan 0.000 0.518 167 H N -2.054 116.907 119.070 -0.181 0.000 3.680 167 H HA 0.207 4.763 4.556 -0.001 0.000 0.260 167 H C 0.540 176.004 175.328 0.227 0.000 1.183 167 H CA -1.022 55.037 56.048 0.019 0.000 1.159 167 H CB -0.412 29.383 29.762 0.054 0.000 1.567 167 H HN 0.477 nan 8.280 nan 0.000 0.648 168 W N 3.421 124.618 121.300 -0.170 0.000 1.975 168 W HA 0.301 4.960 4.660 -0.001 0.000 0.359 168 W C 0.537 177.066 176.519 0.017 0.000 1.363 168 W CA 0.449 57.788 57.345 -0.010 0.000 1.376 168 W CB -0.348 29.068 29.460 -0.074 0.000 1.231 168 W HN 0.013 nan 8.180 nan 0.000 0.641 169 T N -2.751 111.659 114.554 -0.242 0.000 3.145 169 T HA 0.195 4.545 4.350 -0.001 0.000 0.255 169 T C 0.759 175.001 174.700 -0.763 0.000 1.039 169 T CA 0.368 62.115 62.100 -0.587 0.000 0.928 169 T CB -1.138 67.435 68.868 -0.491 0.000 1.029 169 T HN 0.721 nan 8.240 nan 0.000 0.554 170 C N 0.769 119.217 119.300 -1.420 0.000 4.497 170 C HA -0.076 4.384 4.460 -0.001 0.000 0.268 170 C C 1.258 175.791 174.990 -0.761 0.000 1.343 170 C CA -0.404 57.602 59.018 -1.688 0.000 1.742 170 C CB -2.750 24.485 27.740 -0.841 0.000 1.450 170 C HN 1.026 nan 8.230 nan 0.000 0.733 171 A N 1.094 123.663 122.820 -0.418 0.000 2.404 171 A HA 0.563 4.882 4.320 -0.001 0.000 0.273 171 A C 0.774 178.293 177.584 -0.109 0.000 1.144 171 A CA 1.074 53.016 52.037 -0.159 0.000 0.806 171 A CB 0.182 19.168 19.000 -0.025 0.000 1.080 171 A HN 1.356 nan 8.150 nan 0.000 0.509 172 T N 1.467 115.967 114.554 -0.091 0.000 3.504 172 T HA 0.508 4.858 4.350 -0.001 0.000 0.286 172 T C -2.761 171.903 174.700 -0.061 0.000 1.530 172 T CA -1.429 60.646 62.100 -0.041 0.000 1.652 172 T CB 0.564 69.428 68.868 -0.006 0.000 0.895 172 T HN 0.444 nan 8.240 nan 0.000 0.674 173 P HA 0.412 nan 4.420 nan 0.000 0.281 173 P C -0.245 176.921 177.300 -0.224 0.000 1.249 173 P CA -0.663 62.353 63.100 -0.140 0.000 0.810 173 P CB 1.160 32.765 31.700 -0.158 0.000 1.008 174 R N 0.961 121.242 120.500 -0.365 0.000 2.582 174 R HA 0.379 4.718 4.340 -0.001 0.000 0.271 174 R C 0.108 176.284 176.300 -0.206 0.000 1.078 174 R CA -0.432 55.246 56.100 -0.703 0.000 1.127 174 R CB 0.140 29.866 30.300 -0.956 0.000 1.038 174 R HN 0.371 nan 8.270 nan 0.000 0.500 175 F N 2.071 121.795 119.950 -0.377 0.000 2.399 175 F HA 0.036 4.562 4.527 -0.001 0.000 0.342 175 F C 1.080 176.699 175.800 -0.303 0.000 1.106 175 F CA -1.449 56.362 58.000 -0.315 0.000 1.196 175 F CB 0.188 38.998 39.000 -0.316 0.000 1.163 175 F HN 0.560 nan 8.300 nan 0.000 0.547 176 D N 2.458 122.789 120.400 -0.115 0.000 2.414 176 D HA 0.126 4.765 4.640 -0.001 0.000 0.251 176 D C 1.030 177.243 176.300 -0.144 0.000 1.252 176 D CA -0.424 53.505 54.000 -0.119 0.000 0.999 176 D CB 0.521 41.266 40.800 -0.091 0.000 1.093 176 D HN 0.469 nan 8.370 nan 0.000 0.515 177 R N -0.274 120.166 120.500 -0.101 0.000 2.103 177 R HA -0.177 4.162 4.340 -0.001 0.000 0.242 177 R C 2.032 178.276 176.300 -0.094 0.000 1.142 177 R CA 1.964 58.011 56.100 -0.088 0.000 0.960 177 R CB -0.444 29.839 30.300 -0.028 0.000 0.858 177 R HN 0.733 nan 8.270 nan 0.000 0.439 178 E N 0.752 120.892 120.200 -0.100 0.000 2.268 178 E HA -0.219 4.130 4.350 -0.001 0.000 0.195 178 E C 1.372 177.863 176.600 -0.181 0.000 0.995 178 E CA 1.009 57.357 56.400 -0.087 0.000 0.836 178 E CB -0.066 29.627 29.700 -0.011 0.000 0.763 178 E HN 0.476 nan 8.360 nan 0.000 0.491 179 Q N 0.183 119.787 119.800 -0.326 0.000 2.356 179 Q HA 0.164 4.503 4.340 -0.001 0.000 0.205 179 Q C 0.409 176.309 176.000 -0.166 0.000 0.901 179 Q CA -0.161 55.390 55.803 -0.420 0.000 0.938 179 Q CB 0.623 28.836 28.738 -0.876 0.000 1.081 179 Q HN 0.044 nan 8.270 nan 0.000 0.517 180 R N 1.910 122.351 120.500 -0.099 0.000 2.460 180 R HA 0.311 4.650 4.340 -0.001 0.000 0.303 180 R C -2.552 173.733 176.300 -0.026 0.000 0.968 180 R CA -2.124 53.921 56.100 -0.091 0.000 0.889 180 R CB 1.053 31.124 30.300 -0.382 0.000 1.123 180 R HN -0.131 nan 8.270 nan 0.000 0.455 181 P HA 0.045 nan 4.420 nan 0.000 0.272 181 P C -0.611 176.862 177.300 0.289 0.000 1.230 181 P CA -0.135 63.060 63.100 0.159 0.000 0.788 181 P CB 0.655 32.455 31.700 0.168 0.000 0.949 182 L N 2.490 123.841 121.223 0.215 0.000 2.331 182 L HA 0.171 4.510 4.340 -0.001 0.000 0.278 182 L C 1.614 178.628 176.870 0.240 0.000 1.106 182 L CA -0.190 54.837 54.840 0.311 0.000 0.824 182 L CB 0.358 42.642 42.059 0.376 0.000 1.142 182 L HN 0.367 nan 8.230 nan 0.000 0.443 183 L N 3.686 125.098 121.223 0.315 0.000 2.537 183 L HA 0.206 4.545 4.340 -0.001 0.000 0.224 183 L C -0.168 176.893 176.870 0.319 0.000 1.065 183 L CA 0.242 55.168 54.840 0.142 0.000 0.860 183 L CB 0.723 42.653 42.059 -0.215 0.000 1.086 183 L HN 0.316 nan 8.230 nan 0.000 0.482 184 V N 0.637 120.735 119.914 0.306 0.000 2.483 184 V HA 0.250 4.370 4.120 -0.001 0.000 0.297 184 V C -0.127 176.055 176.094 0.147 0.000 1.027 184 V CA -0.977 61.435 62.300 0.186 0.000 0.855 184 V CB 1.931 33.810 31.823 0.094 0.000 0.995 184 V HN 0.056 nan 8.190 nan 0.000 0.424 185 K N 2.622 122.980 120.400 -0.070 0.000 2.298 185 K HA 0.209 4.529 4.320 -0.001 0.000 0.280 185 K C -0.107 176.458 176.600 -0.059 0.000 1.032 185 K CA 0.038 56.242 56.287 -0.139 0.000 0.958 185 K CB 0.295 32.521 32.500 -0.457 0.000 0.978 185 K HN 0.786 nan 8.250 nan 0.000 0.472 186 D N 2.188 122.582 120.400 -0.010 0.000 2.723 186 D HA -0.194 4.445 4.640 -0.001 0.000 0.236 186 D C -1.147 175.160 176.300 0.011 0.000 1.138 186 D CA 1.357 55.357 54.000 -0.001 0.000 0.676 186 D CB -0.712 40.074 40.800 -0.024 0.000 1.069 186 D HN 0.582 nan 8.370 nan 0.000 0.430 187 D N -1.821 118.599 120.400 0.033 0.000 2.492 187 D HA 0.378 5.017 4.640 -0.001 0.000 0.229 187 D C 0.698 177.034 176.300 0.060 0.000 1.345 187 D CA 0.225 54.248 54.000 0.037 0.000 0.912 187 D CB 0.104 40.919 40.800 0.026 0.000 1.526 187 D HN 0.014 nan 8.370 nan 0.000 0.505 188 A N 2.323 125.180 122.820 0.061 0.000 1.968 188 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 188 A C 1.637 179.270 177.584 0.081 0.000 1.169 188 A CA 1.184 53.267 52.037 0.078 0.000 0.638 188 A CB 0.047 19.085 19.000 0.064 0.000 0.812 188 A HN 0.439 nan 8.150 nan 0.000 0.446 189 D N 0.426 120.863 120.400 0.062 0.000 2.097 189 D HA -0.069 4.570 4.640 -0.001 0.000 0.195 189 D C 2.239 178.578 176.300 0.065 0.000 0.989 189 D CA 1.576 55.612 54.000 0.059 0.000 0.827 189 D CB -0.448 40.378 40.800 0.042 0.000 0.966 189 D HN 0.408 nan 8.370 nan 0.000 0.456 190 A N 0.842 123.696 122.820 0.057 0.000 1.933 190 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 190 A C 1.969 179.597 177.584 0.074 0.000 1.175 190 A CA 2.034 54.102 52.037 0.052 0.000 0.628 190 A CB -0.626 18.397 19.000 0.037 0.000 0.814 190 A HN 0.182 nan 8.150 nan 0.000 0.444 191 D N -0.283 120.185 120.400 0.113 0.000 2.117 191 D HA -0.156 4.483 4.640 -0.001 0.000 0.197 191 D C 1.299 177.762 176.300 0.271 0.000 0.987 191 D CA 1.554 55.667 54.000 0.188 0.000 0.829 191 D CB -0.131 40.806 40.800 0.229 0.000 0.961 191 D HN 0.343 nan 8.370 nan 0.000 0.460 192 D N -0.306 120.218 120.400 0.208 0.000 2.117 192 D HA -0.106 4.533 4.640 -0.001 0.000 0.197 192 D C 1.988 178.399 176.300 0.186 0.000 0.987 192 D CA 1.437 55.561 54.000 0.208 0.000 0.829 192 D CB -0.537 40.340 40.800 0.128 0.000 0.961 192 D HN 0.320 nan 8.370 nan 0.000 0.460 193 A N 0.634 123.524 122.820 0.117 0.000 1.898 193 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 193 A C 2.137 179.750 177.584 0.048 0.000 1.181 193 A CA 1.883 53.965 52.037 0.074 0.000 0.620 193 A CB -0.490 18.537 19.000 0.044 0.000 0.819 193 A HN 0.187 nan 8.150 nan 0.000 0.442 194 E N -0.958 119.251 120.200 0.015 0.000 2.047 194 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 194 E C 1.681 178.193 176.600 -0.147 0.000 0.987 194 E CA 1.465 57.803 56.400 -0.104 0.000 0.799 194 E CB -0.436 29.155 29.700 -0.181 0.000 0.752 194 E HN 0.723 nan 8.360 nan 0.000 0.449 195 W N 0.683 121.954 121.300 -0.050 0.000 2.388 195 W HA -0.078 4.582 4.660 -0.001 0.000 0.294 195 W C 2.099 178.618 176.519 0.000 0.000 1.212 195 W CA 1.156 58.440 57.345 -0.102 0.000 1.271 195 W CB -0.281 29.163 29.460 -0.027 0.000 1.126 195 W HN 0.245 nan 8.180 nan 0.000 0.535 196 D N 0.090 120.666 120.400 0.293 0.000 2.117 196 D HA -0.221 4.419 4.640 -0.001 0.000 0.197 196 D C 2.149 178.525 176.300 0.127 0.000 0.987 196 D CA 1.522 55.657 54.000 0.225 0.000 0.829 196 D CB -0.204 40.685 40.800 0.148 0.000 0.961 196 D HN -0.024 nan 8.370 nan 0.000 0.460 197 R N -0.261 120.266 120.500 0.045 0.000 2.073 197 R HA -0.101 4.238 4.340 -0.001 0.000 0.234 197 R C 2.446 178.708 176.300 -0.063 0.000 1.134 197 R CA 1.231 57.320 56.100 -0.019 0.000 0.952 197 R CB -0.336 29.932 30.300 -0.053 0.000 0.850 197 R HN 0.264 nan 8.270 nan 0.000 0.433 198 L N -0.550 120.602 121.223 -0.118 0.000 2.027 198 L HA -0.182 4.157 4.340 -0.001 0.000 0.206 198 L C 2.406 179.213 176.870 -0.106 0.000 1.074 198 L CA 1.225 55.942 54.840 -0.204 0.000 0.745 198 L CB -0.667 41.163 42.059 -0.380 0.000 0.898 198 L HN 0.200 nan 8.230 nan 0.000 0.433 199 Y N 0.450 120.758 120.300 0.013 0.000 2.207 199 Y HA -0.242 4.307 4.550 -0.001 0.000 0.287 199 Y C 2.879 178.763 175.900 -0.027 0.000 1.156 199 Y CA 1.556 59.670 58.100 0.023 0.000 1.182 199 Y CB -1.166 37.338 38.460 0.074 0.000 0.979 199 Y HN 0.159 nan 8.280 nan 0.000 0.521 200 T N -0.449 114.179 114.554 0.124 0.000 2.746 200 T HA -0.205 4.144 4.350 -0.001 0.000 0.267 200 T C 1.979 176.647 174.700 -0.053 0.000 1.039 200 T CA 1.659 63.782 62.100 0.038 0.000 1.142 200 T CB -0.172 68.710 68.868 0.024 0.000 0.866 200 T HN 0.217 nan 8.240 nan 0.000 0.444 201 K N 0.846 121.157 120.400 -0.148 0.000 2.057 201 K HA 0.006 4.325 4.320 -0.001 0.000 0.207 201 K C 2.502 178.780 176.600 -0.536 0.000 1.049 201 K CA 1.096 57.168 56.287 -0.357 0.000 0.931 201 K CB -0.279 31.964 32.500 -0.428 0.000 0.714 201 K HN 0.274 nan 8.250 nan 0.000 0.440 202 A N 1.227 123.849 122.820 -0.329 0.000 1.902 202 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 202 A C 1.815 179.412 177.584 0.023 0.000 1.181 202 A CA 1.749 53.663 52.037 -0.204 0.000 0.623 202 A CB -0.496 18.494 19.000 -0.017 0.000 0.818 202 A HN 0.439 nan 8.150 nan 0.000 0.443 203 E N -0.515 119.738 120.200 0.088 0.000 2.160 203 E HA -0.156 4.193 4.350 -0.001 0.000 0.195 203 E C 2.226 178.910 176.600 0.140 0.000 0.991 203 E CA 1.233 57.726 56.400 0.154 0.000 0.810 203 E CB -0.144 29.617 29.700 0.101 0.000 0.742 203 E HN 0.621 nan 8.360 nan 0.000 0.466 204 S N -0.528 115.206 115.700 0.056 0.000 2.387 204 S HA -0.133 4.336 4.470 -0.001 0.000 0.226 204 S C 1.763 176.500 174.600 0.230 0.000 1.026 204 S CA 0.700 58.959 58.200 0.099 0.000 0.972 204 S CB -0.149 63.078 63.200 0.046 0.000 0.814 204 S HN 0.260 nan 8.310 nan 0.000 0.477 205 Y N 0.329 120.636 120.300 0.011 0.000 2.181 205 Y HA 0.077 4.627 4.550 -0.001 0.000 0.288 205 Y C 1.974 177.887 175.900 0.021 0.000 1.146 205 Y CA 0.281 58.350 58.100 -0.051 0.000 1.164 205 Y CB -1.096 37.249 38.460 -0.193 0.000 0.982 205 Y HN 0.332 nan 8.280 nan 0.000 0.515 206 F N 0.265 120.369 119.950 0.257 0.000 2.780 206 F HA 0.032 4.559 4.527 -0.001 0.000 0.299 206 F C 0.823 176.730 175.800 0.179 0.000 1.146 206 F CA 0.152 58.292 58.000 0.233 0.000 1.428 206 F CB -0.344 38.815 39.000 0.264 0.000 1.115 206 F HN -0.007 nan 8.300 nan 0.000 0.583 207 Q N 0.534 120.522 119.800 0.313 0.000 2.451 207 Q HA -0.197 4.143 4.340 -0.001 0.000 0.305 207 Q C 0.055 176.144 176.000 0.148 0.000 1.345 207 Q CA 0.775 56.689 55.803 0.185 0.000 0.854 207 Q CB -2.645 26.175 28.738 0.137 0.000 1.162 207 Q HN 0.214 nan 8.270 nan 0.000 0.440 208 T N 0.016 114.672 114.554 0.170 0.000 2.916 208 T HA 0.434 4.784 4.350 -0.001 0.000 0.303 208 T C 0.784 175.517 174.700 0.055 0.000 1.025 208 T CA 0.571 62.733 62.100 0.103 0.000 1.142 208 T CB 1.264 70.201 68.868 0.116 0.000 0.947 208 T HN 0.483 nan 8.240 nan 0.000 0.544 209 G N 0.697 109.513 108.800 0.027 0.000 2.694 209 G HA2 0.556 4.515 3.960 -0.001 0.000 0.290 209 G HA3 0.556 4.515 3.960 -0.001 0.000 0.290 209 G C 0.133 175.042 174.900 0.016 0.000 1.386 209 G CA -0.659 44.447 45.100 0.011 0.000 0.872 209 G HN 0.621 nan 8.290 nan 0.000 0.475 210 T N -2.694 111.869 114.554 0.015 0.000 3.288 210 T HA 0.310 4.659 4.350 -0.001 0.000 0.293 210 T C -0.318 174.396 174.700 0.023 0.000 1.008 210 T CA -0.139 61.981 62.100 0.032 0.000 0.929 210 T CB 0.674 69.566 68.868 0.040 0.000 1.152 210 T HN 0.221 nan 8.240 nan 0.000 0.517 211 D N 0.944 121.336 120.400 -0.013 0.000 2.500 211 D HA 0.168 4.807 4.640 -0.001 0.000 0.217 211 D C 1.597 177.823 176.300 -0.123 0.000 1.159 211 D CA 0.190 54.158 54.000 -0.052 0.000 0.828 211 D CB 0.652 41.417 40.800 -0.058 0.000 1.039 211 D HN 0.305 nan 8.370 nan 0.000 0.512 212 Q N -0.756 118.964 119.800 -0.133 0.000 2.378 212 Q HA 0.104 4.444 4.340 -0.001 0.000 0.205 212 Q C 0.508 176.114 176.000 -0.656 0.000 0.954 212 Q CA 0.782 56.369 55.803 -0.360 0.000 0.901 212 Q CB 0.029 28.524 28.738 -0.405 0.000 0.981 212 Q HN 0.216 nan 8.270 nan 0.000 0.483 213 F N -0.987 118.801 119.950 -0.270 0.000 2.698 213 F HA 0.304 4.830 4.527 -0.001 0.000 0.304 213 F C 1.354 176.929 175.800 -0.376 0.000 1.108 213 F CA -0.418 57.379 58.000 -0.339 0.000 1.263 213 F CB 0.569 39.323 39.000 -0.409 0.000 1.013 213 F HN -0.179 nan 8.300 nan 0.000 0.532 214 K N 1.013 121.298 120.400 -0.190 0.000 2.209 214 K HA -0.096 4.223 4.320 -0.001 0.000 0.204 214 K C 1.075 177.546 176.600 -0.214 0.000 1.048 214 K CA 1.348 57.563 56.287 -0.120 0.000 0.940 214 K CB -0.038 32.380 32.500 -0.136 0.000 0.729 214 K HN 0.315 nan 8.250 nan 0.000 0.451 215 E N -0.303 119.671 120.200 -0.375 0.000 2.419 215 E HA 0.048 4.397 4.350 -0.001 0.000 0.190 215 E C -0.562 175.856 176.600 -0.304 0.000 1.040 215 E CA -0.232 55.741 56.400 -0.712 0.000 0.900 215 E CB 0.810 30.128 29.700 -0.637 0.000 1.054 215 E HN 0.016 nan 8.360 nan 0.000 0.462 216 S N 0.685 116.375 115.700 -0.017 0.000 2.513 216 S HA 0.209 4.678 4.470 -0.001 0.000 0.276 216 S C 1.138 175.862 174.600 0.207 0.000 1.254 216 S CA -0.537 57.733 58.200 0.116 0.000 1.053 216 S CB 0.567 63.884 63.200 0.195 0.000 0.958 216 S HN 0.193 nan 8.310 nan 0.000 0.491 217 I N 4.716 125.290 120.570 0.006 0.000 2.202 217 I HA -0.150 4.019 4.170 -0.001 0.000 0.242 217 I C 2.677 178.614 176.117 -0.301 0.000 1.091 217 I CA 1.100 62.137 61.300 -0.440 0.000 1.368 217 I CB -0.219 37.297 38.000 -0.807 0.000 1.058 217 I HN 0.701 nan 8.210 nan 0.000 0.410 218 R N -0.444 119.976 120.500 -0.133 0.000 2.081 218 R HA -0.227 4.112 4.340 -0.001 0.000 0.235 218 R C 2.360 178.688 176.300 0.046 0.000 1.131 218 R CA 1.675 57.745 56.100 -0.049 0.000 0.960 218 R CB -0.611 29.673 30.300 -0.026 0.000 0.856 218 R HN 0.429 nan 8.270 nan 0.000 0.436 219 H N 1.042 120.134 119.070 0.035 0.000 2.321 219 H HA -0.042 4.513 4.556 -0.001 0.000 0.300 219 H C 1.765 177.167 175.328 0.122 0.000 1.087 219 H CA 1.885 57.978 56.048 0.075 0.000 1.319 219 H CB -0.042 29.794 29.762 0.124 0.000 1.379 219 H HN 0.119 nan 8.280 nan 0.000 0.501 220 N N 0.058 118.890 118.700 0.221 0.000 2.216 220 N HA -0.119 4.621 4.740 -0.001 0.000 0.183 220 N C 2.028 177.700 175.510 0.270 0.000 1.017 220 N CA 0.922 54.141 53.050 0.282 0.000 0.861 220 N CB -0.202 38.643 38.487 0.597 0.000 0.986 220 N HN 0.300 nan 8.380 nan 0.000 0.428 221 L N 1.344 122.725 121.223 0.263 0.000 2.013 221 L HA -0.149 4.190 4.340 -0.001 0.000 0.212 221 L C 2.105 179.040 176.870 0.108 0.000 1.073 221 L CA 1.468 56.465 54.840 0.263 0.000 0.753 221 L CB -0.527 41.626 42.059 0.157 0.000 0.890 221 L HN -0.107 nan 8.230 nan 0.000 0.432 222 V N -1.021 118.904 119.914 0.019 0.000 2.407 222 V HA -0.205 3.914 4.120 -0.001 0.000 0.245 222 V C 2.373 178.397 176.094 -0.116 0.000 1.041 222 V CA 1.418 63.696 62.300 -0.037 0.000 1.040 222 V CB -0.514 31.265 31.823 -0.074 0.000 0.671 222 V HN 0.495 nan 8.190 nan 0.000 0.455 223 L N 0.980 122.100 121.223 -0.171 0.000 2.012 223 L HA -0.178 4.161 4.340 -0.001 0.000 0.210 223 L C 2.191 178.999 176.870 -0.103 0.000 1.073 223 L CA 2.102 56.830 54.840 -0.186 0.000 0.748 223 L CB -0.841 41.074 42.059 -0.241 0.000 0.891 223 L HN 0.302 nan 8.230 nan 0.000 0.431 224 N N -0.201 118.492 118.700 -0.012 0.000 2.142 224 N HA -0.195 4.545 4.740 -0.001 0.000 0.186 224 N C 1.834 177.335 175.510 -0.015 0.000 1.023 224 N CA 1.285 54.346 53.050 0.019 0.000 0.852 224 N CB -0.293 38.238 38.487 0.072 0.000 0.998 224 N HN 0.278 nan 8.380 nan 0.000 0.424 225 K N 1.284 121.672 120.400 -0.020 0.000 2.057 225 K HA 0.093 4.412 4.320 -0.001 0.000 0.206 225 K C 1.906 178.467 176.600 -0.066 0.000 1.050 225 K CA 0.834 57.108 56.287 -0.022 0.000 0.935 225 K CB -0.417 32.087 32.500 0.008 0.000 0.715 225 K HN 0.115 nan 8.250 nan 0.000 0.439 226 L N 0.087 121.198 121.223 -0.186 0.000 2.093 226 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 226 L C 2.204 178.909 176.870 -0.275 0.000 1.085 226 L CA 1.590 56.205 54.840 -0.375 0.000 0.755 226 L CB -0.762 40.650 42.059 -1.078 0.000 0.904 226 L HN 0.231 nan 8.230 nan 0.000 0.435 227 T N -0.822 113.616 114.554 -0.193 0.000 2.708 227 T HA -0.250 4.099 4.350 -0.001 0.000 0.266 227 T C 1.807 176.567 174.700 0.101 0.000 1.037 227 T CA 1.652 63.798 62.100 0.076 0.000 1.146 227 T CB -0.102 68.817 68.868 0.084 0.000 0.865 227 T HN 0.373 nan 8.240 nan 0.000 0.435 228 E N 0.522 120.742 120.200 0.034 0.000 2.072 228 E HA -0.160 4.190 4.350 -0.001 0.000 0.191 228 E C 2.206 178.811 176.600 0.009 0.000 0.985 228 E CA 0.879 57.291 56.400 0.021 0.000 0.801 228 E CB 0.076 29.771 29.700 -0.008 0.000 0.750 228 E HN 0.360 nan 8.360 nan 0.000 0.452 229 E N -0.371 119.820 120.200 -0.014 0.000 2.153 229 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 229 E C 0.884 177.338 176.600 -0.242 0.000 0.988 229 E CA 0.992 57.314 56.400 -0.130 0.000 0.811 229 E CB -0.015 29.581 29.700 -0.174 0.000 0.746 229 E HN 0.479 nan 8.360 nan 0.000 0.466 230 Y N 0.342 120.687 120.300 0.075 0.000 2.658 230 Y HA 0.185 4.734 4.550 -0.001 0.000 0.276 230 Y C 0.495 176.464 175.900 0.115 0.000 1.167 230 Y CA -0.492 57.687 58.100 0.133 0.000 1.230 230 Y CB 0.351 38.983 38.460 0.286 0.000 1.144 230 Y HN -0.249 nan 8.280 nan 0.000 0.529 231 K N 0.687 121.184 120.400 0.161 0.000 2.466 231 K HA 0.203 4.522 4.320 -0.001 0.000 0.278 231 K C 1.255 177.918 176.600 0.105 0.000 1.048 231 K CA 1.421 57.782 56.287 0.123 0.000 1.088 231 K CB -0.198 32.342 32.500 0.067 0.000 0.884 231 K HN 0.550 nan 8.250 nan 0.000 0.478 232 G N 3.037 111.901 108.800 0.106 0.000 2.159 232 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.256 232 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.256 232 G C 0.504 175.461 174.900 0.095 0.000 0.977 232 G CA 0.717 45.867 45.100 0.083 0.000 0.652 232 G HN 0.708 nan 8.290 nan 0.000 0.531 233 Q N -1.505 118.377 119.800 0.138 0.000 2.577 233 Q HA 0.285 4.624 4.340 -0.001 0.000 0.242 233 Q C 1.055 177.136 176.000 0.135 0.000 0.818 233 Q CA 0.075 55.967 55.803 0.149 0.000 0.962 233 Q CB 1.020 29.880 28.738 0.204 0.000 1.272 233 Q HN 0.442 nan 8.270 nan 0.000 0.593 234 R N 0.716 121.304 120.500 0.147 0.000 2.651 234 R HA 0.390 4.729 4.340 -0.001 0.000 0.278 234 R C -1.655 174.639 176.300 -0.010 0.000 1.010 234 R CA -0.672 55.410 56.100 -0.032 0.000 0.896 234 R CB 1.836 31.915 30.300 -0.368 0.000 1.211 234 R HN -0.015 nan 8.270 nan 0.000 0.456 235 D N 1.734 122.057 120.400 -0.130 0.000 2.163 235 D HA 0.399 5.038 4.640 -0.001 0.000 0.248 235 D C -0.707 175.414 176.300 -0.299 0.000 1.035 235 D CA 0.069 54.035 54.000 -0.056 0.000 0.872 235 D CB 1.260 42.053 40.800 -0.012 0.000 1.183 235 D HN 0.146 nan 8.370 nan 0.000 0.445 236 F N 0.693 120.650 119.950 0.010 0.000 2.538 236 F HA 0.393 4.919 4.527 -0.001 0.000 0.325 236 F C 0.601 176.417 175.800 0.027 0.000 1.066 236 F CA -0.642 57.357 58.000 -0.002 0.000 0.946 236 F CB 1.824 40.816 39.000 -0.013 0.000 1.199 236 F HN 0.206 nan 8.300 nan 0.000 0.473 237 Q N 0.098 120.013 119.800 0.191 0.000 2.648 237 Q HA 0.349 4.688 4.340 -0.001 0.000 0.300 237 Q C -1.527 174.590 176.000 0.196 0.000 0.954 237 Q CA -1.278 54.624 55.803 0.164 0.000 0.757 237 Q CB 1.750 30.549 28.738 0.102 0.000 1.482 237 Q HN 0.624 nan 8.270 nan 0.000 0.437 238 Q N 0.824 120.761 119.800 0.229 0.000 2.361 238 Q HA 0.201 4.540 4.340 -0.001 0.000 0.276 238 Q C -0.515 175.563 176.000 0.131 0.000 1.022 238 Q CA -0.130 55.818 55.803 0.240 0.000 0.898 238 Q CB 0.506 29.342 28.738 0.163 0.000 1.246 238 Q HN 0.577 nan 8.270 nan 0.000 0.410 239 I N 6.360 126.991 120.570 0.101 0.000 2.741 239 I HA -0.034 4.135 4.170 -0.001 0.000 0.288 239 I C -1.952 174.193 176.117 0.046 0.000 1.192 239 I CA -1.471 59.864 61.300 0.058 0.000 1.426 239 I CB 0.217 38.227 38.000 0.018 0.000 1.367 239 I HN 0.460 nan 8.210 nan 0.000 0.563 240 P HA 0.230 nan 4.420 nan 0.000 0.271 240 P C -0.900 176.398 177.300 -0.003 0.000 1.233 240 P CA 0.122 63.231 63.100 0.015 0.000 0.764 240 P CB 0.445 32.143 31.700 -0.005 0.000 0.825 241 L N 2.529 123.759 121.223 0.011 0.000 2.362 241 L HA 0.589 4.928 4.340 -0.001 0.000 0.275 241 L C 0.413 177.274 176.870 -0.015 0.000 0.998 241 L CA -1.159 53.682 54.840 0.002 0.000 0.820 241 L CB 2.060 44.184 42.059 0.108 0.000 1.270 241 L HN 0.260 nan 8.230 nan 0.000 0.415 242 A N 3.443 126.212 122.820 -0.086 0.000 2.797 242 A HA 0.708 5.027 4.320 -0.001 0.000 0.296 242 A C 0.115 177.710 177.584 0.019 0.000 1.580 242 A CA 0.172 52.201 52.037 -0.014 0.000 1.277 242 A CB -0.451 18.488 19.000 -0.101 0.000 1.101 242 A HN 0.783 nan 8.150 nan 0.000 0.562 243 A N 1.791 124.592 122.820 -0.031 0.000 2.599 243 A HA 0.737 5.056 4.320 -0.001 0.000 0.294 243 A C -0.494 176.964 177.584 -0.210 0.000 1.055 243 A CA -0.463 51.452 52.037 -0.203 0.000 0.683 243 A CB 0.831 19.528 19.000 -0.505 0.000 1.278 243 A HN 0.604 nan 8.150 nan 0.000 0.412 244 T N 1.462 115.857 114.554 -0.264 0.000 2.840 244 T HA 0.453 4.802 4.350 -0.001 0.000 0.287 244 T C -0.081 174.457 174.700 -0.271 0.000 0.991 244 T CA -0.401 61.577 62.100 -0.203 0.000 0.964 244 T CB 1.122 69.931 68.868 -0.100 0.000 0.954 244 T HN 0.708 nan 8.240 nan 0.000 0.438 245 R N 2.383 122.715 120.500 -0.281 0.000 2.442 245 R HA 0.213 4.552 4.340 -0.001 0.000 0.291 245 R C 0.883 177.096 176.300 -0.144 0.000 1.069 245 R CA -0.283 55.649 56.100 -0.280 0.000 1.022 245 R CB 0.365 30.469 30.300 -0.326 0.000 0.976 245 R HN 0.410 nan 8.270 nan 0.000 0.443 246 R N 1.056 121.522 120.500 -0.056 0.000 2.254 246 R HA 0.121 4.460 4.340 -0.001 0.000 0.193 246 R C 0.196 176.488 176.300 -0.014 0.000 0.929 246 R CA 0.623 56.725 56.100 0.005 0.000 1.038 246 R CB 0.376 30.740 30.300 0.108 0.000 1.009 246 R HN 0.746 nan 8.270 nan 0.000 0.512 247 S N -1.421 114.273 115.700 -0.009 0.000 2.611 247 S HA 0.344 4.813 4.470 -0.001 0.000 0.268 247 S C -2.642 171.924 174.600 -0.057 0.000 1.156 247 S CA -1.043 57.144 58.200 -0.023 0.000 0.817 247 S CB 2.085 65.295 63.200 0.016 0.000 1.122 247 S HN -0.262 nan 8.310 nan 0.000 0.466 248 P HA -0.011 nan 4.420 nan 0.000 0.220 248 P C 1.020 178.281 177.300 -0.065 0.000 1.144 248 P CA 1.891 64.943 63.100 -0.080 0.000 0.800 248 P CB -0.170 31.502 31.700 -0.047 0.000 0.772 249 T N -6.863 107.686 114.554 -0.009 0.000 3.091 249 T HA 0.292 4.642 4.350 -0.001 0.000 0.277 249 T C -0.227 174.511 174.700 0.063 0.000 0.996 249 T CA -0.364 61.750 62.100 0.023 0.000 0.897 249 T CB -0.541 68.365 68.868 0.063 0.000 1.109 249 T HN -0.122 nan 8.240 nan 0.000 0.534 250 F N 1.536 121.418 119.950 -0.113 0.000 2.557 250 F HA 0.665 5.191 4.527 -0.001 0.000 0.316 250 F C -1.608 174.059 175.800 -0.221 0.000 1.141 250 F CA -1.158 56.771 58.000 -0.118 0.000 0.922 250 F CB 2.009 40.957 39.000 -0.086 0.000 1.194 250 F HN -0.110 nan 8.300 nan 0.000 0.443 251 V N 5.217 124.615 119.914 -0.861 0.000 2.487 251 V HA 0.274 4.393 4.120 -0.001 0.000 0.298 251 V C -0.378 175.124 176.094 -0.988 0.000 1.028 251 V CA -0.873 60.905 62.300 -0.871 0.000 0.860 251 V CB 1.682 32.805 31.823 -1.166 0.000 0.991 251 V HN 0.731 nan 8.190 nan 0.000 0.427 252 E N 4.571 124.492 120.200 -0.465 0.000 1.865 252 E HA 0.126 4.475 4.350 -0.001 0.000 0.269 252 E C -0.923 175.471 176.600 -0.344 0.000 1.177 252 E CA -0.539 55.743 56.400 -0.198 0.000 0.932 252 E CB 0.347 30.073 29.700 0.043 0.000 1.066 252 E HN 0.628 nan 8.360 nan 0.000 0.405 253 W N 2.704 123.881 121.300 -0.205 0.000 2.181 253 W HA 0.044 4.703 4.660 -0.001 0.000 0.335 253 W C 0.774 177.296 176.519 0.005 0.000 1.310 253 W CA -0.437 56.762 57.345 -0.244 0.000 1.226 253 W CB 0.660 29.728 29.460 -0.654 0.000 1.155 253 W HN 0.299 nan 8.180 nan 0.000 0.565 254 S N 1.506 117.397 115.700 0.319 0.000 2.645 254 S HA 0.628 5.097 4.470 -0.001 0.000 0.266 254 S C 0.143 175.166 174.600 0.705 0.000 1.258 254 S CA -0.535 57.925 58.200 0.434 0.000 0.990 254 S CB 1.235 64.701 63.200 0.443 0.000 0.967 254 S HN 0.521 nan 8.310 nan 0.000 0.556 255 S N -0.556 115.514 115.700 0.617 0.000 2.703 255 S HA 0.671 5.140 4.470 -0.001 0.000 0.273 255 S C 0.755 175.555 174.600 0.333 0.000 1.178 255 S CA -0.300 58.199 58.200 0.498 0.000 0.838 255 S CB 0.481 63.894 63.200 0.356 0.000 1.178 255 S HN 0.736 nan 8.310 nan 0.000 0.494 256 A N 1.669 124.580 122.820 0.151 0.000 1.927 256 A HA -0.201 4.118 4.320 -0.001 0.000 0.220 256 A C 2.030 179.662 177.584 0.080 0.000 1.185 256 A CA 2.234 54.318 52.037 0.078 0.000 0.639 256 A CB -1.596 17.419 19.000 0.025 0.000 0.820 256 A HN 0.877 nan 8.150 nan 0.000 0.451 257 N N -0.544 118.209 118.700 0.090 0.000 2.149 257 N HA -0.162 4.578 4.740 -0.001 0.000 0.188 257 N C 1.541 177.074 175.510 0.038 0.000 1.019 257 N CA 2.082 55.158 53.050 0.043 0.000 0.857 257 N CB -0.272 38.252 38.487 0.061 0.000 0.997 257 N HN 0.475 nan 8.380 nan 0.000 0.426 258 T N 0.487 115.111 114.554 0.118 0.000 2.788 258 T HA -0.057 4.292 4.350 -0.001 0.000 0.268 258 T C 2.073 176.804 174.700 0.053 0.000 1.044 258 T CA 1.124 63.297 62.100 0.121 0.000 1.139 258 T CB -0.198 68.818 68.868 0.247 0.000 0.867 258 T HN 0.057 nan 8.240 nan 0.000 0.454 259 V N -0.412 119.519 119.914 0.028 0.000 2.323 259 V HA 0.136 4.255 4.120 -0.001 0.000 0.244 259 V C 0.506 176.558 176.094 -0.069 0.000 1.041 259 V CA 1.005 63.246 62.300 -0.099 0.000 1.025 259 V CB -0.340 31.378 31.823 -0.174 0.000 0.656 259 V HN 0.489 nan 8.190 nan 0.000 0.451 260 F N 0.881 120.709 119.950 -0.204 0.000 2.623 260 F HA 0.374 4.900 4.527 -0.001 0.000 0.323 260 F C 0.206 175.890 175.800 -0.193 0.000 1.158 260 F CA -1.683 56.168 58.000 -0.249 0.000 1.030 260 F CB 1.366 40.170 39.000 -0.326 0.000 1.280 260 F HN 0.156 nan 8.300 nan 0.000 0.474 261 D N 4.871 124.800 120.400 -0.785 0.000 2.371 261 D HA -0.053 4.586 4.640 -0.001 0.000 0.221 261 D C 1.251 177.269 176.300 -0.470 0.000 0.986 261 D CA 1.184 54.889 54.000 -0.491 0.000 0.899 261 D CB 0.007 40.583 40.800 -0.374 0.000 0.902 261 D HN 0.704 nan 8.370 nan 0.000 0.530 262 L N -2.069 118.691 121.223 -0.772 0.000 4.937 262 L HA -0.237 4.102 4.340 -0.001 0.000 0.422 262 L C -0.198 176.641 176.870 -0.052 0.000 1.059 262 L CA 0.462 55.148 54.840 -0.257 0.000 1.111 262 L CB -1.359 40.697 42.059 -0.004 0.000 2.033 262 L HN 0.212 nan 8.230 nan 0.000 0.708 263 Q N 1.167 120.840 119.800 -0.211 0.000 2.337 263 Q HA 0.172 4.511 4.340 -0.001 0.000 0.270 263 Q C 0.381 176.455 176.000 0.123 0.000 1.002 263 Q CA 0.080 55.847 55.803 -0.060 0.000 0.888 263 Q CB 0.453 29.118 28.738 -0.121 0.000 1.222 263 Q HN 0.142 nan 8.270 nan 0.000 0.400 264 N N 2.125 120.893 118.700 0.113 0.000 2.454 264 N HA 0.067 4.806 4.740 -0.001 0.000 0.254 264 N C -0.276 175.305 175.510 0.118 0.000 1.228 264 N CA 0.424 53.545 53.050 0.118 0.000 0.900 264 N CB 0.556 39.016 38.487 -0.046 0.000 1.089 264 N HN 0.262 nan 8.380 nan 0.000 0.449 265 R N 1.394 121.997 120.500 0.172 0.000 2.795 265 R HA 0.507 4.846 4.340 -0.001 0.000 0.275 265 R C -2.466 173.917 176.300 0.138 0.000 0.981 265 R CA -1.605 54.586 56.100 0.152 0.000 0.917 265 R CB 1.820 32.245 30.300 0.207 0.000 1.202 265 R HN 0.376 nan 8.270 nan 0.000 0.469 266 P HA 0.135 nan 4.420 nan 0.000 0.275 266 P C -1.361 175.990 177.300 0.085 0.000 1.228 266 P CA -0.345 62.844 63.100 0.148 0.000 0.786 266 P CB 0.673 32.507 31.700 0.224 0.000 0.927 267 N N -1.236 117.499 118.700 0.059 0.000 2.853 267 N HA 0.251 4.991 4.740 -0.001 0.000 0.258 267 N C 0.560 176.078 175.510 0.014 0.000 1.444 267 N CA -0.776 52.290 53.050 0.028 0.000 0.837 267 N CB -0.484 38.009 38.487 0.010 0.000 1.489 267 N HN 0.034 nan 8.380 nan 0.000 0.529 268 T N -0.677 113.878 114.554 0.002 0.000 2.699 268 T HA -0.135 4.214 4.350 -0.001 0.000 0.268 268 T C 0.402 175.094 174.700 -0.013 0.000 1.036 268 T CA 1.797 63.893 62.100 -0.005 0.000 1.147 268 T CB -0.462 68.400 68.868 -0.009 0.000 0.862 268 T HN 0.537 nan 8.240 nan 0.000 0.446 269 D N 0.980 121.369 120.400 -0.019 0.000 2.277 269 D HA 0.158 4.797 4.640 -0.001 0.000 0.208 269 D C 0.811 177.097 176.300 -0.023 0.000 0.962 269 D CA 0.494 54.478 54.000 -0.026 0.000 0.865 269 D CB 0.102 40.879 40.800 -0.038 0.000 0.939 269 D HN 0.397 nan 8.370 nan 0.000 0.510 270 A N 1.271 124.084 122.820 -0.012 0.000 3.082 270 A HA 0.333 4.652 4.320 -0.001 0.000 0.328 270 A C -1.937 175.655 177.584 0.014 0.000 1.089 270 A CA -0.935 51.102 52.037 -0.001 0.000 0.802 270 A CB 1.100 20.108 19.000 0.014 0.000 1.138 270 A HN -0.161 nan 8.150 nan 0.000 0.474 271 P HA -0.092 nan 4.420 nan 0.000 0.226 271 P C 0.492 177.757 177.300 -0.059 0.000 1.153 271 P CA 1.136 64.230 63.100 -0.009 0.000 0.777 271 P CB 0.405 32.084 31.700 -0.035 0.000 0.794 272 E N -0.538 119.589 120.200 -0.121 0.000 2.498 272 E HA 0.113 4.462 4.350 -0.001 0.000 0.203 272 E C 0.232 176.820 176.600 -0.021 0.000 1.013 272 E CA -0.127 56.088 56.400 -0.308 0.000 0.927 272 E CB 0.400 29.900 29.700 -0.334 0.000 1.012 272 E HN 0.452 nan 8.360 nan 0.000 0.482 273 E N 1.312 121.575 120.200 0.104 0.000 2.318 273 E HA 0.377 4.727 4.350 -0.001 0.000 0.265 273 E C -0.219 176.548 176.600 0.279 0.000 1.069 273 E CA -0.275 56.235 56.400 0.184 0.000 0.893 273 E CB 1.132 30.919 29.700 0.145 0.000 1.076 273 E HN -0.092 nan 8.360 nan 0.000 0.414 274 R N 1.850 122.510 120.500 0.267 0.000 2.500 274 R HA 0.420 4.759 4.340 -0.001 0.000 0.299 274 R C -1.588 174.880 176.300 0.281 0.000 1.038 274 R CA -0.541 55.700 56.100 0.235 0.000 0.903 274 R CB 0.989 31.392 30.300 0.172 0.000 1.177 274 R HN 0.392 nan 8.270 nan 0.000 0.455 275 F N 2.117 122.110 119.950 0.072 0.000 2.622 275 F HA 0.428 4.955 4.527 -0.001 0.000 0.318 275 F C -1.746 174.016 175.800 -0.063 0.000 1.135 275 F CA -0.659 57.358 58.000 0.029 0.000 1.015 275 F CB 2.038 41.118 39.000 0.133 0.000 1.275 275 F HN 0.403 nan 8.300 nan 0.000 0.457 276 N N 4.790 122.783 118.700 -1.178 0.000 2.352 276 N HA 0.562 5.301 4.740 -0.001 0.000 0.291 276 N C -2.028 172.483 175.510 -1.665 0.000 1.040 276 N CA -0.614 51.717 53.050 -1.198 0.000 0.864 276 N CB 2.370 40.302 38.487 -0.925 0.000 1.440 276 N HN 0.572 nan 8.380 nan 0.000 0.483 277 L N 2.739 123.222 121.223 -1.233 0.000 2.275 277 L HA 0.622 4.961 4.340 -0.001 0.000 0.288 277 L C -1.588 174.783 176.870 -0.831 0.000 1.046 277 L CA -0.179 54.190 54.840 -0.786 0.000 0.805 277 L CB 0.071 42.013 42.059 -0.194 0.000 1.193 277 L HN 0.456 nan 8.230 nan 0.000 0.426 278 F N 6.548 126.261 119.950 -0.395 0.000 2.359 278 F HA 0.531 5.057 4.527 -0.001 0.000 0.370 278 F C -2.112 173.639 175.800 -0.082 0.000 1.077 278 F CA -2.082 55.773 58.000 -0.241 0.000 1.136 278 F CB 0.656 39.472 39.000 -0.307 0.000 1.387 278 F HN 0.426 nan 8.300 nan 0.000 0.468 279 P HA 0.296 nan 4.420 nan 0.000 0.276 279 P C -0.063 177.295 177.300 0.096 0.000 1.261 279 P CA -0.261 62.884 63.100 0.074 0.000 0.800 279 P CB 0.926 32.649 31.700 0.038 0.000 1.066 280 A N -1.156 121.703 122.820 0.065 0.000 2.687 280 A HA -0.099 4.221 4.320 -0.001 0.000 0.299 280 A C -0.085 177.529 177.584 0.049 0.000 1.497 280 A CA 0.712 52.778 52.037 0.049 0.000 0.751 280 A CB -2.387 16.642 19.000 0.048 0.000 1.048 280 A HN 0.251 nan 8.150 nan 0.000 0.464 281 V N -0.187 119.771 119.914 0.072 0.000 2.409 281 V HA 0.649 4.769 4.120 -0.001 0.000 0.290 281 V C 0.579 176.680 176.094 0.012 0.000 1.017 281 V CA -0.301 62.045 62.300 0.077 0.000 0.841 281 V CB 1.557 33.521 31.823 0.234 0.000 1.003 281 V HN 1.486 nan 8.190 nan 0.000 0.426 282 A N 4.323 127.124 122.820 -0.032 0.000 2.350 282 A HA 0.433 4.753 4.320 -0.001 0.000 0.293 282 A C 0.202 177.763 177.584 -0.038 0.000 1.231 282 A CA -0.155 51.846 52.037 -0.061 0.000 0.883 282 A CB -0.211 18.785 19.000 -0.006 0.000 1.133 282 A HN 0.867 nan 8.150 nan 0.000 0.533 283 C N 2.848 122.100 119.300 -0.080 0.000 2.499 283 C HA 0.307 4.766 4.460 -0.001 0.000 0.386 283 C C 1.407 176.358 174.990 -0.065 0.000 1.293 283 C CA -0.233 58.729 59.018 -0.094 0.000 1.884 283 C CB -0.371 27.306 27.740 -0.105 0.000 2.509 283 C HN 1.005 nan 8.230 nan 0.000 0.566 284 E N 1.025 121.202 120.200 -0.038 0.000 2.290 284 E HA 0.101 4.450 4.350 -0.001 0.000 0.199 284 E C 0.281 176.848 176.600 -0.056 0.000 0.912 284 E CA 0.335 56.717 56.400 -0.031 0.000 0.924 284 E CB 0.449 30.151 29.700 0.002 0.000 0.901 284 E HN 0.770 nan 8.360 nan 0.000 0.487 285 R N -0.022 120.445 120.500 -0.056 0.000 2.687 285 R HA 0.376 4.715 4.340 -0.001 0.000 0.265 285 R C -0.849 175.384 176.300 -0.111 0.000 1.048 285 R CA -0.778 55.264 56.100 -0.098 0.000 0.884 285 R CB 0.852 31.067 30.300 -0.141 0.000 1.258 285 R HN -0.068 nan 8.270 nan 0.000 0.469 286 V N -0.755 119.079 119.914 -0.133 0.000 2.617 286 V HA 0.698 4.817 4.120 -0.001 0.000 0.298 286 V C 0.002 175.978 176.094 -0.197 0.000 1.048 286 V CA -0.850 61.338 62.300 -0.186 0.000 0.964 286 V CB 1.771 33.458 31.823 -0.227 0.000 1.004 286 V HN 0.504 nan 8.190 nan 0.000 0.466 287 V N 4.642 124.428 119.914 -0.213 0.000 2.370 287 V HA 0.481 4.601 4.120 -0.001 0.000 0.279 287 V C 0.530 176.562 176.094 -0.103 0.000 1.029 287 V CA -0.541 61.654 62.300 -0.175 0.000 0.870 287 V CB 0.951 32.685 31.823 -0.149 0.000 0.984 287 V HN 0.947 nan 8.190 nan 0.000 0.451 288 R N 3.630 124.086 120.500 -0.074 0.000 2.539 288 R HA 0.293 4.632 4.340 -0.001 0.000 0.275 288 R C 0.369 176.697 176.300 0.046 0.000 1.077 288 R CA -0.517 55.618 56.100 0.060 0.000 1.097 288 R CB 0.575 30.897 30.300 0.037 0.000 1.018 288 R HN 0.867 nan 8.270 nan 0.000 0.483 289 N N 1.229 119.984 118.700 0.091 0.000 2.379 289 N HA 0.046 4.785 4.740 -0.001 0.000 0.260 289 N C 0.487 175.998 175.510 0.003 0.000 1.254 289 N CA -0.031 53.039 53.050 0.033 0.000 0.958 289 N CB 0.452 38.959 38.487 0.034 0.000 1.208 289 N HN 0.546 nan 8.380 nan 0.000 0.532 290 A N -0.112 122.702 122.820 -0.010 0.000 2.019 290 A HA -0.011 4.309 4.320 -0.001 0.000 0.219 290 A C 1.964 179.527 177.584 -0.034 0.000 1.164 290 A CA 0.927 52.952 52.037 -0.021 0.000 0.644 290 A CB -0.685 18.306 19.000 -0.016 0.000 0.805 290 A HN 0.625 nan 8.150 nan 0.000 0.449 291 L N -1.016 120.177 121.223 -0.050 0.000 2.667 291 L HA 0.128 4.468 4.340 -0.001 0.000 0.232 291 L C -0.112 176.675 176.870 -0.138 0.000 1.138 291 L CA -0.240 54.555 54.840 -0.075 0.000 0.921 291 L CB -0.178 41.840 42.059 -0.068 0.000 1.180 291 L HN 0.338 nan 8.230 nan 0.000 0.487 292 N N 0.503 119.110 118.700 -0.155 0.000 2.738 292 N HA -0.175 4.564 4.740 -0.001 0.000 0.249 292 N C 0.955 175.911 175.510 -0.923 0.000 1.047 292 N CA 1.067 53.928 53.050 -0.315 0.000 0.707 292 N CB -1.086 37.344 38.487 -0.095 0.000 0.937 292 N HN 0.538 nan 8.380 nan 0.000 0.545 293 S N -2.190 113.116 115.700 -0.657 0.000 2.578 293 S HA 0.286 4.756 4.470 -0.001 0.000 0.228 293 S C 0.332 174.702 174.600 -0.383 0.000 1.022 293 S CA -0.178 57.653 58.200 -0.615 0.000 0.967 293 S CB 1.541 64.588 63.200 -0.254 0.000 0.914 293 S HN 0.352 nan 8.310 nan 0.000 0.515 294 E N 0.220 120.344 120.200 -0.126 0.000 2.392 294 E HA 0.446 4.796 4.350 -0.001 0.000 0.279 294 E C -1.582 175.238 176.600 0.367 0.000 0.964 294 E CA -0.844 55.691 56.400 0.226 0.000 0.777 294 E CB 1.520 31.308 29.700 0.147 0.000 1.249 294 E HN 0.093 nan 8.360 nan 0.000 0.449 295 I N 2.934 123.676 120.570 0.287 0.000 2.395 295 I HA 0.113 4.282 4.170 -0.001 0.000 0.289 295 I C 0.936 177.036 176.117 -0.029 0.000 1.023 295 I CA 0.557 61.850 61.300 -0.010 0.000 1.350 295 I CB 1.067 38.844 38.000 -0.372 0.000 1.409 295 I HN 0.734 nan 8.210 nan 0.000 0.507 296 E N 3.239 123.404 120.200 -0.059 0.000 2.307 296 E HA 0.061 4.411 4.350 -0.001 0.000 0.195 296 E C 0.125 176.770 176.600 0.074 0.000 0.975 296 E CA 0.225 56.654 56.400 0.048 0.000 0.878 296 E CB 0.561 30.291 29.700 0.050 0.000 0.845 296 E HN 0.753 nan 8.360 nan 0.000 0.488 297 S N -0.136 115.518 115.700 -0.076 0.000 2.627 297 S HA 0.436 4.905 4.470 -0.001 0.000 0.268 297 S C -1.855 172.722 174.600 -0.039 0.000 1.130 297 S CA -1.120 57.125 58.200 0.076 0.000 0.819 297 S CB 1.377 64.680 63.200 0.172 0.000 1.100 297 S HN 0.049 nan 8.310 nan 0.000 0.465 298 L N 1.830 123.152 121.223 0.165 0.000 2.333 298 L HA 0.581 4.921 4.340 -0.001 0.000 0.280 298 L C -0.902 176.050 176.870 0.136 0.000 1.004 298 L CA -0.169 54.732 54.840 0.102 0.000 0.820 298 L CB 1.279 43.410 42.059 0.119 0.000 1.247 298 L HN 0.913 nan 8.230 nan 0.000 0.416 299 H N 6.279 125.298 119.070 -0.086 0.000 2.604 299 H HA 0.475 5.030 4.556 -0.001 0.000 0.306 299 H C -0.336 174.931 175.328 -0.101 0.000 1.075 299 H CA -0.414 55.589 56.048 -0.075 0.000 1.357 299 H CB 1.333 31.055 29.762 -0.067 0.000 1.426 299 H HN 0.690 nan 8.280 nan 0.000 0.470 300 I N 0.012 120.555 120.570 -0.045 0.000 2.910 300 I HA 0.406 4.576 4.170 -0.001 0.000 0.310 300 I C -0.647 175.528 176.117 0.095 0.000 1.043 300 I CA -0.953 60.314 61.300 -0.054 0.000 1.053 300 I CB 2.859 40.706 38.000 -0.254 0.000 1.242 300 I HN 0.564 nan 8.210 nan 0.000 0.452 301 H N 1.939 121.004 119.070 -0.010 0.000 2.800 301 H HA 0.296 4.851 4.556 -0.001 0.000 0.322 301 H C -1.539 173.835 175.328 0.078 0.000 0.979 301 H CA -0.634 55.431 56.048 0.029 0.000 1.277 301 H CB 1.569 31.344 29.762 0.021 0.000 1.484 301 H HN 0.850 nan 8.280 nan 0.000 0.512 302 D N 4.814 125.282 120.400 0.114 0.000 2.339 302 D HA 0.035 4.675 4.640 -0.001 0.000 0.256 302 D C 1.041 177.219 176.300 -0.203 0.000 1.214 302 D CA -0.157 53.864 54.000 0.035 0.000 0.877 302 D CB 0.973 41.914 40.800 0.235 0.000 1.111 302 D HN 0.581 nan 8.370 nan 0.000 0.478 303 L N 4.216 125.310 121.223 -0.216 0.000 2.217 303 L HA -0.079 4.260 4.340 -0.001 0.000 0.211 303 L C 1.691 178.511 176.870 -0.083 0.000 1.107 303 L CA 0.152 54.850 54.840 -0.236 0.000 0.783 303 L CB -0.241 41.766 42.059 -0.087 0.000 0.919 303 L HN 0.636 nan 8.230 nan 0.000 0.442 304 I N -0.218 120.340 120.570 -0.020 0.000 2.162 304 I HA -0.186 3.984 4.170 -0.001 0.000 0.238 304 I C 2.765 178.899 176.117 0.029 0.000 1.076 304 I CA 1.828 63.138 61.300 0.016 0.000 1.353 304 I CB -1.397 36.624 38.000 0.034 0.000 1.063 304 I HN 0.302 nan 8.210 nan 0.000 0.408 305 S N 0.460 116.191 115.700 0.052 0.000 2.461 305 S HA 0.082 4.552 4.470 -0.001 0.000 0.228 305 S C 1.856 176.498 174.600 0.070 0.000 1.005 305 S CA 0.781 59.025 58.200 0.073 0.000 0.942 305 S CB -0.194 63.078 63.200 0.121 0.000 0.776 305 S HN 0.640 nan 8.310 nan 0.000 0.514 306 G N 0.946 109.784 108.800 0.064 0.000 2.179 306 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.260 306 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.260 306 G C -0.376 174.645 174.900 0.202 0.000 0.977 306 G CA 0.267 45.459 45.100 0.153 0.000 0.641 306 G HN 0.568 nan 8.290 nan 0.000 0.533 307 D N 0.127 120.591 120.400 0.106 0.000 2.312 307 D HA 0.616 5.255 4.640 -0.001 0.000 0.248 307 D C 0.918 177.105 176.300 -0.188 0.000 1.086 307 D CA -0.055 53.877 54.000 -0.113 0.000 0.948 307 D CB 0.721 41.366 40.800 -0.259 0.000 1.162 307 D HN 0.369 nan 8.370 nan 0.000 0.446 308 R N 0.601 120.796 120.500 -0.508 0.000 2.711 308 R HA 0.688 5.027 4.340 -0.001 0.000 0.284 308 R C -0.840 175.005 176.300 -0.757 0.000 0.968 308 R CA -0.690 55.178 56.100 -0.386 0.000 0.924 308 R CB 1.433 31.599 30.300 -0.224 0.000 1.162 308 R HN 0.301 nan 8.270 nan 0.000 0.465 309 F N -0.257 119.606 119.950 -0.145 0.000 2.686 309 F HA 0.238 4.764 4.527 -0.001 0.000 0.311 309 F C -0.433 175.181 175.800 -0.310 0.000 1.128 309 F CA -1.061 56.825 58.000 -0.189 0.000 0.946 309 F CB 1.792 40.708 39.000 -0.140 0.000 1.336 309 F HN 0.450 nan 8.300 nan 0.000 0.457 310 E N 2.068 122.211 120.200 -0.094 0.000 2.183 310 E HA 0.655 5.005 4.350 -0.001 0.000 0.271 310 E C -1.581 175.014 176.600 -0.008 0.000 0.919 310 E CA -0.713 55.578 56.400 -0.181 0.000 0.781 310 E CB 2.157 31.694 29.700 -0.273 0.000 1.140 310 E HN 0.361 nan 8.360 nan 0.000 0.402 311 I N 2.407 122.992 120.570 0.026 0.000 2.404 311 I HA 0.338 4.507 4.170 -0.001 0.000 0.293 311 I C -0.201 176.042 176.117 0.209 0.000 0.992 311 I CA -0.953 60.409 61.300 0.103 0.000 1.149 311 I CB 1.362 39.393 38.000 0.051 0.000 1.315 311 I HN 0.651 nan 8.210 nan 0.000 0.446 312 K N 4.448 124.971 120.400 0.206 0.000 2.182 312 K HA 0.847 5.167 4.320 -0.001 0.000 0.262 312 K C -1.066 175.631 176.600 0.161 0.000 0.957 312 K CA -0.294 56.128 56.287 0.225 0.000 0.842 312 K CB 1.852 34.438 32.500 0.144 0.000 1.099 312 K HN 0.814 nan 8.250 nan 0.000 0.438 313 A N 2.680 125.528 122.820 0.045 0.000 2.569 313 A HA 0.377 4.697 4.320 -0.001 0.000 0.290 313 A C -0.514 176.967 177.584 -0.172 0.000 1.136 313 A CA -0.689 51.233 52.037 -0.191 0.000 0.710 313 A CB 1.104 19.773 19.000 -0.552 0.000 1.303 313 A HN 0.798 nan 8.150 nan 0.000 0.413 314 D N -0.548 119.782 120.400 -0.117 0.000 2.162 314 D HA 0.106 4.745 4.640 -0.001 0.000 0.203 314 D C 0.303 176.503 176.300 -0.167 0.000 0.967 314 D CA 1.671 55.663 54.000 -0.014 0.000 0.840 314 D CB 0.216 41.069 40.800 0.090 0.000 0.972 314 D HN 0.216 nan 8.370 nan 0.000 0.482 315 V N 0.686 120.357 119.914 -0.407 0.000 2.656 315 V HA 0.284 4.404 4.120 -0.001 0.000 0.307 315 V C -1.269 174.541 176.094 -0.474 0.000 1.051 315 V CA -0.865 61.186 62.300 -0.416 0.000 0.893 315 V CB 1.856 33.328 31.823 -0.586 0.000 0.999 315 V HN -0.060 nan 8.190 nan 0.000 0.426 316 Y N 2.768 123.059 120.300 -0.014 0.000 2.328 316 Y HA 0.686 5.235 4.550 -0.001 0.000 0.336 316 Y C -0.130 175.743 175.900 -0.046 0.000 0.960 316 Y CA -0.926 57.157 58.100 -0.029 0.000 1.134 316 Y CB 2.131 40.575 38.460 -0.027 0.000 1.166 316 Y HN 0.347 nan 8.280 nan 0.000 0.464 317 V N 5.585 125.473 119.914 -0.043 0.000 2.409 317 V HA 0.389 4.508 4.120 -0.001 0.000 0.291 317 V C -0.458 175.512 176.094 -0.206 0.000 1.020 317 V CA -0.893 61.271 62.300 -0.226 0.000 0.848 317 V CB 1.534 33.021 31.823 -0.561 0.000 0.990 317 V HN 0.590 nan 8.190 nan 0.000 0.430 318 L N 5.254 126.353 121.223 -0.206 0.000 2.262 318 L HA 0.552 4.891 4.340 -0.001 0.000 0.288 318 L C 0.430 177.204 176.870 -0.161 0.000 1.035 318 L CA -0.177 54.563 54.840 -0.167 0.000 0.820 318 L CB 1.442 43.386 42.059 -0.190 0.000 1.204 318 L HN 0.798 nan 8.230 nan 0.000 0.424 319 T N -1.659 112.836 114.554 -0.098 0.000 3.624 319 T HA 0.370 4.720 4.350 -0.001 0.000 0.244 319 T C 0.662 175.374 174.700 0.020 0.000 1.063 319 T CA -0.090 61.991 62.100 -0.032 0.000 1.252 319 T CB 0.993 69.841 68.868 -0.034 0.000 1.021 319 T HN 0.541 nan 8.240 nan 0.000 0.590 320 A N 0.750 123.592 122.820 0.036 0.000 2.345 320 A HA 0.779 5.099 4.320 -0.001 0.000 0.225 320 A C 1.353 179.019 177.584 0.137 0.000 1.243 320 A CA 0.086 52.167 52.037 0.074 0.000 0.875 320 A CB -0.631 18.409 19.000 0.066 0.000 0.929 320 A HN 1.695 nan 8.150 nan 0.000 0.502 321 G N -2.620 106.261 108.800 0.135 0.000 2.629 321 G HA2 0.296 4.255 3.960 -0.001 0.000 0.686 321 G HA3 0.296 4.255 3.960 -0.001 0.000 0.686 321 G C 0.708 175.716 174.900 0.180 0.000 1.232 321 G CA -0.285 44.905 45.100 0.149 0.000 0.803 321 G HN 1.247 nan 8.290 nan 0.000 0.638 322 A N -0.269 122.645 122.820 0.156 0.000 1.940 322 A HA 0.181 4.501 4.320 -0.001 0.000 0.219 322 A C 2.623 180.302 177.584 0.157 0.000 1.176 322 A CA 3.270 55.393 52.037 0.143 0.000 0.631 322 A CB -0.348 18.710 19.000 0.096 0.000 0.814 322 A HN 1.583 nan 8.150 nan 0.000 0.446 323 V N -1.129 118.839 119.914 0.089 0.000 2.331 323 V HA -0.173 3.946 4.120 -0.001 0.000 0.242 323 V C 2.212 178.332 176.094 0.043 0.000 1.034 323 V CA 2.077 64.396 62.300 0.031 0.000 1.027 323 V CB -0.982 30.749 31.823 -0.154 0.000 0.667 323 V HN 0.736 nan 8.190 nan 0.000 0.457 324 H N -0.167 118.986 119.070 0.139 0.000 2.470 324 H HA -0.031 4.524 4.556 -0.001 0.000 0.289 324 H C 2.267 177.596 175.328 0.001 0.000 1.033 324 H CA 1.038 57.120 56.048 0.057 0.000 1.331 324 H CB 0.105 29.885 29.762 0.030 0.000 1.414 324 H HN 0.322 nan 8.280 nan 0.000 0.545 325 N N -0.101 118.678 118.700 0.133 0.000 2.084 325 N HA -0.119 4.620 4.740 -0.001 0.000 0.190 325 N C 1.772 177.273 175.510 -0.015 0.000 1.030 325 N CA 1.749 54.810 53.050 0.018 0.000 0.849 325 N CB -0.495 37.976 38.487 -0.026 0.000 1.012 325 N HN 0.319 nan 8.380 nan 0.000 0.423 326 T N 0.926 115.543 114.554 0.105 0.000 2.746 326 T HA -0.161 4.188 4.350 -0.001 0.000 0.267 326 T C 1.849 176.409 174.700 -0.234 0.000 1.039 326 T CA 1.056 63.212 62.100 0.094 0.000 1.142 326 T CB -0.173 68.892 68.868 0.329 0.000 0.866 326 T HN 0.350 nan 8.240 nan 0.000 0.444 327 Q N 0.438 119.973 119.800 -0.443 0.000 2.030 327 Q HA -0.090 4.249 4.340 -0.001 0.000 0.204 327 Q C 2.349 178.065 176.000 -0.472 0.000 0.986 327 Q CA 1.313 56.530 55.803 -0.977 0.000 0.843 327 Q CB -0.318 28.163 28.738 -0.429 0.000 0.904 327 Q HN 0.496 nan 8.270 nan 0.000 0.420 328 L N 0.315 121.400 121.223 -0.230 0.000 2.017 328 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 328 L C 2.306 179.092 176.870 -0.140 0.000 1.073 328 L CA 1.069 55.816 54.840 -0.155 0.000 0.745 328 L CB -0.172 41.821 42.059 -0.111 0.000 0.894 328 L HN 0.332 nan 8.230 nan 0.000 0.432 329 L N -1.352 119.783 121.223 -0.148 0.000 2.017 329 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 329 L C 2.442 179.347 176.870 0.059 0.000 1.073 329 L CA 1.089 55.885 54.840 -0.073 0.000 0.745 329 L CB -0.610 41.323 42.059 -0.209 0.000 0.894 329 L HN 0.103 nan 8.230 nan 0.000 0.432 330 V N -0.097 119.785 119.914 -0.053 0.000 2.407 330 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 330 V C 2.080 178.147 176.094 -0.045 0.000 1.055 330 V CA 1.963 64.253 62.300 -0.017 0.000 1.049 330 V CB -0.746 31.052 31.823 -0.041 0.000 0.662 330 V HN 0.490 nan 8.190 nan 0.000 0.455 331 N N -0.036 118.595 118.700 -0.115 0.000 2.520 331 N HA -0.089 4.650 4.740 -0.001 0.000 0.185 331 N C 1.531 176.997 175.510 -0.073 0.000 1.068 331 N CA 1.069 54.066 53.050 -0.089 0.000 0.911 331 N CB -0.029 38.392 38.487 -0.111 0.000 0.961 331 N HN 0.414 nan 8.380 nan 0.000 0.446 332 S N -1.711 113.964 115.700 -0.042 0.000 2.540 332 S HA 0.328 4.797 4.470 -0.001 0.000 0.218 332 S C 1.078 175.599 174.600 -0.132 0.000 0.977 332 S CA 0.224 58.389 58.200 -0.057 0.000 0.918 332 S CB 0.719 63.940 63.200 0.034 0.000 0.806 332 S HN 0.504 nan 8.310 nan 0.000 0.496 333 G N 1.144 109.884 108.800 -0.100 0.000 2.159 333 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.227 333 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.227 333 G C -0.085 174.685 174.900 -0.218 0.000 0.986 333 G CA -0.556 44.446 45.100 -0.163 0.000 0.651 333 G HN 0.402 nan 8.290 nan 0.000 0.523 334 F N 0.914 120.826 119.950 -0.063 0.000 2.371 334 F HA 0.538 5.065 4.527 -0.001 0.000 0.329 334 F C 1.653 177.459 175.800 0.009 0.000 1.107 334 F CA 1.051 59.029 58.000 -0.037 0.000 1.137 334 F CB 0.958 39.905 39.000 -0.088 0.000 1.214 334 F HN 0.744 nan 8.300 nan 0.000 0.536 335 G N 2.308 111.244 108.800 0.226 0.000 2.582 335 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.288 335 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.288 335 G C -0.917 174.055 174.900 0.120 0.000 1.247 335 G CA 0.291 45.493 45.100 0.171 0.000 0.972 335 G HN 0.972 nan 8.290 nan 0.000 0.557 336 Q N -1.592 118.285 119.800 0.128 0.000 2.345 336 Q HA 0.757 5.097 4.340 -0.001 0.000 0.275 336 Q C -0.959 175.124 176.000 0.139 0.000 1.063 336 Q CA -1.196 54.665 55.803 0.096 0.000 0.819 336 Q CB 2.291 31.062 28.738 0.055 0.000 1.356 336 Q HN 0.809 nan 8.270 nan 0.000 0.418 337 L N 1.699 122.993 121.223 0.119 0.000 2.436 337 L HA 0.740 5.080 4.340 -0.001 0.000 0.265 337 L C 0.561 177.518 176.870 0.144 0.000 1.168 337 L CA 2.183 57.123 54.840 0.167 0.000 0.815 337 L CB 0.942 43.072 42.059 0.118 0.000 1.109 337 L HN 0.993 nan 8.230 nan 0.000 0.462 338 G N 3.097 112.035 108.800 0.231 0.000 2.712 338 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.683 338 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.683 338 G C -0.536 174.289 174.900 -0.125 0.000 1.320 338 G CA -0.300 44.890 45.100 0.149 0.000 0.847 338 G HN 0.877 nan 8.290 nan 0.000 0.553 339 R N 0.808 121.005 120.500 -0.506 0.000 2.502 339 R HA 0.335 4.674 4.340 -0.001 0.000 0.292 339 R C -1.848 174.034 176.300 -0.698 0.000 0.998 339 R CA -0.587 54.778 56.100 -1.226 0.000 1.056 339 R CB -0.066 29.754 30.300 -0.801 0.000 0.939 339 R HN 0.341 nan 8.270 nan 0.000 0.411 340 P HA -0.083 nan 4.420 nan 0.000 0.264 340 P C -1.250 175.896 177.300 -0.257 0.000 1.183 340 P CA 0.433 63.305 63.100 -0.380 0.000 0.763 340 P CB 0.381 31.871 31.700 -0.350 0.000 0.807 341 N N 3.975 122.581 118.700 -0.157 0.000 2.576 341 N HA 0.166 4.905 4.740 -0.001 0.000 0.269 341 N C -1.894 173.573 175.510 -0.071 0.000 1.058 341 N CA -1.964 51.020 53.050 -0.110 0.000 0.860 341 N CB 1.629 40.061 38.487 -0.092 0.000 1.249 341 N HN 0.128 nan 8.380 nan 0.000 0.525 342 P HA -0.052 nan 4.420 nan 0.000 0.223 342 P C 1.070 178.353 177.300 -0.028 0.000 1.151 342 P CA 0.635 63.711 63.100 -0.041 0.000 0.787 342 P CB 0.287 31.962 31.700 -0.043 0.000 0.788 343 A N 0.125 122.926 122.820 -0.032 0.000 2.015 343 A HA -0.129 4.190 4.320 -0.001 0.000 0.219 343 A C 1.472 179.044 177.584 -0.019 0.000 1.163 343 A CA 0.902 52.925 52.037 -0.024 0.000 0.646 343 A CB -0.929 18.055 19.000 -0.026 0.000 0.806 343 A HN 0.328 nan 8.150 nan 0.000 0.448 344 N N 0.310 118.996 118.700 -0.023 0.000 2.746 344 N HA 0.236 4.976 4.740 -0.001 0.000 0.250 344 N C -3.272 172.232 175.510 -0.011 0.000 1.146 344 N CA -1.409 51.632 53.050 -0.016 0.000 0.828 344 N CB 1.492 39.967 38.487 -0.019 0.000 1.158 344 N HN 0.050 nan 8.380 nan 0.000 0.519 345 P HA 0.315 nan 4.420 nan 0.000 0.278 345 P C -2.677 174.634 177.300 0.019 0.000 1.238 345 P CA -0.978 62.129 63.100 0.011 0.000 0.794 345 P CB 0.395 32.105 31.700 0.017 0.000 0.955 346 P HA 0.094 nan 4.420 nan 0.000 0.272 346 P C 0.831 178.156 177.300 0.042 0.000 1.223 346 P CA 0.007 63.130 63.100 0.039 0.000 0.784 346 P CB 0.987 32.726 31.700 0.064 0.000 0.923 347 E N 1.421 121.639 120.200 0.031 0.000 2.072 347 E HA -0.041 4.309 4.350 -0.001 0.000 0.190 347 E C 0.018 176.652 176.600 0.057 0.000 0.982 347 E CA 0.646 57.064 56.400 0.030 0.000 0.803 347 E CB 0.033 29.738 29.700 0.009 0.000 0.755 347 E HN 0.386 nan 8.360 nan 0.000 0.453 348 L N 1.556 122.822 121.223 0.071 0.000 2.322 348 L HA 0.295 4.635 4.340 -0.001 0.000 0.281 348 L C -0.090 176.906 176.870 0.210 0.000 1.014 348 L CA -0.819 54.106 54.840 0.143 0.000 0.815 348 L CB 1.688 43.795 42.059 0.081 0.000 1.247 348 L HN 0.179 nan 8.230 nan 0.000 0.421 349 L N 3.861 125.233 121.223 0.249 0.000 3.823 349 L HA -0.180 4.160 4.340 -0.001 0.000 0.525 349 L C -1.406 175.576 176.870 0.186 0.000 1.247 349 L CA -0.487 54.495 54.840 0.238 0.000 0.776 349 L CB -0.861 41.361 42.059 0.271 0.000 1.443 349 L HN 0.606 nan 8.230 nan 0.000 0.831 350 P HA -0.115 nan 4.420 nan 0.000 0.225 350 P C 1.192 178.586 177.300 0.156 0.000 1.148 350 P CA 1.051 64.228 63.100 0.128 0.000 0.779 350 P CB 0.341 32.099 31.700 0.097 0.000 0.780 351 S N -0.733 115.080 115.700 0.187 0.000 2.575 351 S HA 0.085 4.555 4.470 -0.001 0.000 0.215 351 S C 0.775 175.528 174.600 0.254 0.000 0.966 351 S CA -0.445 57.909 58.200 0.257 0.000 0.911 351 S CB -0.597 62.756 63.200 0.255 0.000 0.780 351 S HN 0.063 nan 8.310 nan 0.000 0.514 352 L N 2.529 123.881 121.223 0.215 0.000 2.513 352 L HA 0.396 4.736 4.340 -0.001 0.000 0.272 352 L C 1.162 178.168 176.870 0.228 0.000 1.187 352 L CA 1.137 56.106 54.840 0.216 0.000 0.895 352 L CB -0.443 41.732 42.059 0.194 0.000 1.147 352 L HN 0.348 nan 8.230 nan 0.000 0.483 353 G N 2.421 111.365 108.800 0.240 0.000 2.162 353 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.260 353 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.260 353 G C 0.449 175.468 174.900 0.199 0.000 0.976 353 G CA 0.355 45.596 45.100 0.234 0.000 0.655 353 G HN 0.822 nan 8.290 nan 0.000 0.533 354 S N -1.551 114.270 115.700 0.201 0.000 2.681 354 S HA 0.650 5.119 4.470 -0.001 0.000 0.299 354 S C 0.432 175.160 174.600 0.213 0.000 1.113 354 S CA 0.126 58.384 58.200 0.097 0.000 1.013 354 S CB 0.880 64.067 63.200 -0.021 0.000 1.076 354 S HN 0.926 nan 8.310 nan 0.000 0.534 355 Y N -1.066 119.304 120.300 0.118 0.000 4.490 355 Y HA -0.209 4.340 4.550 -0.001 0.000 0.233 355 Y C 0.544 176.531 175.900 0.145 0.000 1.101 355 Y CA 0.251 58.419 58.100 0.114 0.000 2.010 355 Y CB -2.294 36.228 38.460 0.103 0.000 1.622 355 Y HN 0.631 nan 8.280 nan 0.000 0.675 356 I N 0.242 120.964 120.570 0.253 0.000 2.754 356 I HA 0.406 4.575 4.170 -0.001 0.000 0.285 356 I C 0.688 176.981 176.117 0.294 0.000 1.166 356 I CA 0.547 62.003 61.300 0.260 0.000 1.417 356 I CB 1.145 39.300 38.000 0.258 0.000 1.382 356 I HN 0.215 nan 8.210 nan 0.000 0.588 357 T N 2.040 116.734 114.554 0.232 0.000 2.863 357 T HA 0.692 5.041 4.350 -0.001 0.000 0.285 357 T C -0.653 174.090 174.700 0.072 0.000 1.009 357 T CA -0.700 61.525 62.100 0.209 0.000 0.989 357 T CB 2.065 71.007 68.868 0.124 0.000 1.004 357 T HN 0.836 nan 8.240 nan 0.000 0.455 358 E N 1.135 121.350 120.200 0.024 0.000 2.331 358 E HA 0.350 4.699 4.350 -0.001 0.000 0.275 358 E C -1.117 175.596 176.600 0.188 0.000 0.895 358 E CA -0.559 55.805 56.400 -0.060 0.000 0.753 358 E CB 2.036 31.483 29.700 -0.421 0.000 1.216 358 E HN 0.708 nan 8.360 nan 0.000 0.434 359 Q N 1.109 121.028 119.800 0.199 0.000 2.299 359 Q HA 0.451 4.790 4.340 -0.001 0.000 0.246 359 Q C -0.452 175.738 176.000 0.316 0.000 0.935 359 Q CA -0.439 55.527 55.803 0.271 0.000 0.887 359 Q CB 1.320 30.244 28.738 0.311 0.000 1.223 359 Q HN 0.469 nan 8.270 nan 0.000 0.439 360 S N 1.442 117.249 115.700 0.179 0.000 2.565 360 S HA 0.355 4.824 4.470 -0.001 0.000 0.276 360 S C -0.736 173.891 174.600 0.044 0.000 1.326 360 S CA -0.501 57.662 58.200 -0.060 0.000 1.045 360 S CB 0.421 63.479 63.200 -0.237 0.000 0.918 360 S HN 0.371 nan 8.310 nan 0.000 0.505 361 L N 4.574 125.786 121.223 -0.018 0.000 2.406 361 L HA 0.690 5.029 4.340 -0.001 0.000 0.272 361 L C -0.849 175.850 176.870 -0.286 0.000 0.980 361 L CA -0.657 54.072 54.840 -0.185 0.000 0.831 361 L CB 1.581 43.507 42.059 -0.222 0.000 1.253 361 L HN 0.462 nan 8.230 nan 0.000 0.406 362 V N 2.143 121.814 119.914 -0.406 0.000 2.581 362 V HA 0.743 4.862 4.120 -0.001 0.000 0.303 362 V C -0.964 174.967 176.094 -0.273 0.000 1.041 362 V CA -0.618 61.367 62.300 -0.527 0.000 0.907 362 V CB 1.579 32.915 31.823 -0.812 0.000 0.994 362 V HN 0.779 nan 8.190 nan 0.000 0.442 363 F N 5.126 124.845 119.950 -0.385 0.000 2.591 363 F HA 0.884 5.410 4.527 -0.001 0.000 0.309 363 F C -0.333 175.341 175.800 -0.211 0.000 1.098 363 F CA -0.335 57.529 58.000 -0.226 0.000 0.937 363 F CB 1.583 40.490 39.000 -0.156 0.000 1.250 363 F HN 1.202 nan 8.300 nan 0.000 0.447 364 C N 2.810 121.522 119.300 -0.980 0.000 3.320 364 C HA 0.801 5.260 4.460 -0.001 0.000 0.335 364 C C -1.703 172.801 174.990 -0.810 0.000 1.430 364 C CA -0.722 57.719 59.018 -0.962 0.000 1.271 364 C CB 1.673 29.073 27.740 -0.566 0.000 1.609 364 C HN 0.947 nan 8.230 nan 0.000 0.457 365 Q N 0.588 120.137 119.800 -0.418 0.000 2.387 365 Q HA 0.757 5.096 4.340 -0.001 0.000 0.273 365 Q C -0.522 175.528 176.000 0.083 0.000 1.089 365 Q CA -0.222 55.556 55.803 -0.042 0.000 0.824 365 Q CB 2.724 31.449 28.738 -0.022 0.000 1.367 365 Q HN 0.939 nan 8.270 nan 0.000 0.443 366 T N -2.475 112.202 114.554 0.206 0.000 2.932 366 T HA 0.699 5.048 4.350 -0.001 0.000 0.289 366 T C -0.482 174.284 174.700 0.110 0.000 1.039 366 T CA -0.721 61.458 62.100 0.133 0.000 1.024 366 T CB 1.238 70.193 68.868 0.144 0.000 1.090 366 T HN 0.258 nan 8.240 nan 0.000 0.496 367 V N 2.773 122.715 119.914 0.047 0.000 2.384 367 V HA 0.389 4.508 4.120 -0.001 0.000 0.287 367 V C 0.339 176.447 176.094 0.024 0.000 1.020 367 V CA -0.920 61.402 62.300 0.035 0.000 0.850 367 V CB 1.094 32.927 31.823 0.016 0.000 0.987 367 V HN 1.013 nan 8.190 nan 0.000 0.436 368 M N 4.699 124.322 119.600 0.038 0.000 2.248 368 M HA 0.078 4.557 4.480 -0.001 0.000 0.343 368 M C 0.899 177.206 176.300 0.011 0.000 1.243 368 M CA 0.748 56.069 55.300 0.035 0.000 1.025 368 M CB 0.605 33.224 32.600 0.032 0.000 1.759 368 M HN 0.934 nan 8.290 nan 0.000 0.452 369 S N 2.411 118.115 115.700 0.006 0.000 2.568 369 S HA 0.066 4.535 4.470 -0.001 0.000 0.282 369 S C 1.014 175.614 174.600 0.000 0.000 1.338 369 S CA -0.136 58.058 58.200 -0.010 0.000 1.045 369 S CB 0.565 63.754 63.200 -0.018 0.000 0.873 369 S HN 0.803 nan 8.310 nan 0.000 0.516 370 T N 1.492 116.043 114.554 -0.006 0.000 2.720 370 T HA -0.164 4.186 4.350 -0.001 0.000 0.268 370 T C 1.611 176.316 174.700 0.010 0.000 1.037 370 T CA 1.839 63.940 62.100 0.002 0.000 1.144 370 T CB -0.521 68.345 68.868 -0.003 0.000 0.864 370 T HN 0.844 nan 8.240 nan 0.000 0.444 371 E N 0.410 120.613 120.200 0.005 0.000 2.085 371 E HA -0.103 4.246 4.350 -0.001 0.000 0.194 371 E C 2.146 178.764 176.600 0.030 0.000 0.994 371 E CA 0.890 57.297 56.400 0.011 0.000 0.801 371 E CB -0.169 29.530 29.700 -0.000 0.000 0.743 371 E HN 0.439 nan 8.360 nan 0.000 0.453 372 L N 0.649 121.892 121.223 0.033 0.000 2.093 372 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 372 L C 2.398 179.307 176.870 0.066 0.000 1.085 372 L CA 0.353 55.229 54.840 0.059 0.000 0.755 372 L CB -0.226 41.868 42.059 0.058 0.000 0.904 372 L HN 0.271 nan 8.230 nan 0.000 0.435 373 I N -0.103 120.491 120.570 0.041 0.000 2.252 373 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 373 I C 2.083 178.229 176.117 0.047 0.000 1.102 373 I CA 1.450 62.769 61.300 0.032 0.000 1.385 373 I CB -1.054 36.955 38.000 0.015 0.000 1.064 373 I HN 0.273 nan 8.210 nan 0.000 0.414 374 D N 0.767 121.195 120.400 0.046 0.000 2.178 374 D HA -0.131 4.509 4.640 -0.001 0.000 0.201 374 D C 2.363 178.710 176.300 0.078 0.000 0.980 374 D CA 1.619 55.651 54.000 0.053 0.000 0.842 374 D CB -0.095 40.728 40.800 0.038 0.000 0.948 374 D HN 0.368 nan 8.370 nan 0.000 0.472 375 S N -0.036 115.722 115.700 0.097 0.000 2.419 375 S HA -0.108 4.361 4.470 -0.001 0.000 0.233 375 S C 2.184 176.933 174.600 0.249 0.000 1.016 375 S CA 0.671 58.965 58.200 0.157 0.000 0.974 375 S CB -0.557 62.736 63.200 0.155 0.000 0.786 375 S HN 0.080 nan 8.310 nan 0.000 0.492 376 V N 3.168 123.194 119.914 0.188 0.000 2.332 376 V HA -0.191 3.928 4.120 -0.001 0.000 0.248 376 V C 2.277 178.493 176.094 0.204 0.000 1.055 376 V CA 2.227 64.653 62.300 0.210 0.000 1.038 376 V CB -0.824 31.038 31.823 0.066 0.000 0.651 376 V HN 0.833 nan 8.190 nan 0.000 0.450 377 K N 0.433 120.914 120.400 0.134 0.000 2.493 377 K HA 0.161 4.480 4.320 -0.001 0.000 0.207 377 K C 1.600 178.257 176.600 0.096 0.000 1.033 377 K CA 0.686 57.037 56.287 0.107 0.000 1.161 377 K CB 0.132 32.681 32.500 0.083 0.000 0.873 377 K HN 0.431 nan 8.250 nan 0.000 0.491 378 S N 0.678 116.450 115.700 0.119 0.000 2.419 378 S HA -0.160 4.309 4.470 -0.001 0.000 0.235 378 S C 0.919 175.539 174.600 0.034 0.000 1.019 378 S CA 1.254 59.494 58.200 0.067 0.000 0.982 378 S CB -0.215 63.013 63.200 0.046 0.000 0.789 378 S HN 0.321 nan 8.310 nan 0.000 0.490 379 D N 0.611 121.038 120.400 0.046 0.000 2.349 379 D HA 0.250 4.890 4.640 -0.001 0.000 0.214 379 D C 0.056 176.398 176.300 0.069 0.000 1.063 379 D CA 0.232 54.249 54.000 0.028 0.000 0.847 379 D CB 0.054 40.850 40.800 -0.006 0.000 0.933 379 D HN 0.376 nan 8.370 nan 0.000 0.513 380 M N 0.517 120.156 119.600 0.065 0.000 2.233 380 M HA 0.232 4.712 4.480 -0.001 0.000 0.355 380 M C 0.214 176.543 176.300 0.048 0.000 1.191 380 M CA 0.005 55.350 55.300 0.075 0.000 1.101 380 M CB 1.175 33.812 32.600 0.062 0.000 1.592 380 M HN -0.327 nan 8.290 nan 0.000 0.461 381 T N 4.529 119.106 114.554 0.038 0.000 2.749 381 T HA 0.649 4.998 4.350 -0.001 0.000 0.287 381 T C 0.053 174.736 174.700 -0.029 0.000 0.970 381 T CA -0.302 61.801 62.100 0.006 0.000 0.980 381 T CB 0.512 69.380 68.868 0.000 0.000 0.924 381 T HN 0.438 nan 8.240 nan 0.000 0.456 382 I N 3.959 124.511 120.570 -0.031 0.000 2.382 382 I HA 0.401 4.570 4.170 -0.001 0.000 0.285 382 I C 0.249 176.336 176.117 -0.051 0.000 1.007 382 I CA -0.649 60.605 61.300 -0.077 0.000 1.142 382 I CB 1.248 39.248 38.000 -0.001 0.000 1.289 382 I HN 0.314 nan 8.210 nan 0.000 0.453 383 R N 4.331 124.772 120.500 -0.099 0.000 2.460 383 R HA 0.787 5.127 4.340 -0.001 0.000 0.303 383 R C 0.302 176.616 176.300 0.023 0.000 0.968 383 R CA -0.399 55.683 56.100 -0.030 0.000 0.889 383 R CB 1.882 32.160 30.300 -0.037 0.000 1.123 383 R HN 0.860 nan 8.270 nan 0.000 0.455 384 G N 1.130 109.985 108.800 0.093 0.000 2.587 384 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.212 384 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.212 384 G C -0.912 174.139 174.900 0.253 0.000 1.327 384 G CA -0.514 44.678 45.100 0.153 0.000 0.898 384 G HN 0.610 nan 8.290 nan 0.000 0.551 385 T N 0.287 114.975 114.554 0.223 0.000 2.824 385 T HA 0.668 5.017 4.350 -0.001 0.000 0.282 385 T C -2.889 171.725 174.700 -0.142 0.000 0.993 385 T CA -1.300 60.851 62.100 0.085 0.000 0.967 385 T CB 2.268 71.150 68.868 0.024 0.000 0.960 385 T HN 0.532 nan 8.240 nan 0.000 0.441 386 P HA 0.178 nan 4.420 nan 0.000 0.261 386 P C 1.253 178.315 177.300 -0.397 0.000 1.165 386 P CA 1.429 63.961 63.100 -0.947 0.000 0.759 386 P CB 0.061 31.380 31.700 -0.635 0.000 0.772 387 G N 1.413 110.033 108.800 -0.300 0.000 2.241 387 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.244 387 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.244 387 G C 0.193 175.064 174.900 -0.049 0.000 0.998 387 G CA -0.284 44.742 45.100 -0.123 0.000 0.621 387 G HN 0.517 nan 8.290 nan 0.000 0.519 388 E N -0.232 119.952 120.200 -0.026 0.000 2.314 388 E HA 0.548 4.898 4.350 -0.001 0.000 0.262 388 E C 1.429 178.069 176.600 0.067 0.000 1.093 388 E CA -0.594 55.822 56.400 0.027 0.000 0.908 388 E CB 1.016 30.741 29.700 0.042 0.000 1.091 388 E HN 0.181 nan 8.360 nan 0.000 0.425 389 L N 0.807 122.062 121.223 0.053 0.000 2.395 389 L HA -0.101 4.238 4.340 -0.001 0.000 0.218 389 L C 2.028 178.938 176.870 0.066 0.000 1.130 389 L CA 0.930 55.803 54.840 0.055 0.000 0.826 389 L CB -0.241 41.838 42.059 0.033 0.000 0.941 389 L HN 0.514 nan 8.230 nan 0.000 0.451 390 T N -2.118 112.480 114.554 0.074 0.000 2.867 390 T HA -0.222 4.127 4.350 -0.001 0.000 0.268 390 T C 0.616 175.381 174.700 0.109 0.000 1.057 390 T CA 0.370 62.515 62.100 0.075 0.000 1.136 390 T CB -0.436 68.476 68.868 0.072 0.000 0.874 390 T HN 0.099 nan 8.240 nan 0.000 0.466 391 Y N 2.765 123.068 120.300 0.005 0.000 2.721 391 Y HA 0.324 4.874 4.550 -0.001 0.000 0.329 391 Y C 0.238 176.143 175.900 0.009 0.000 1.211 391 Y CA -0.576 57.528 58.100 0.007 0.000 1.512 391 Y CB 0.214 38.677 38.460 0.005 0.000 1.249 391 Y HN -0.005 nan 8.280 nan 0.000 0.549 392 S N 5.210 120.636 115.700 -0.456 0.000 2.619 392 S HA 0.682 5.151 4.470 -0.001 0.000 0.280 392 S C -1.899 172.418 174.600 -0.471 0.000 1.150 392 S CA -0.728 57.256 58.200 -0.360 0.000 0.978 392 S CB 0.719 63.824 63.200 -0.158 0.000 1.041 392 S HN 0.465 nan 8.310 nan 0.000 0.485 393 V N 4.849 124.552 119.914 -0.352 0.000 2.378 393 V HA 0.700 4.820 4.120 -0.001 0.000 0.288 393 V C 0.109 176.173 176.094 -0.051 0.000 1.016 393 V CA -0.482 61.691 62.300 -0.212 0.000 0.840 393 V CB 1.293 33.019 31.823 -0.161 0.000 0.994 393 V HN 1.000 nan 8.190 nan 0.000 0.431 394 T N 1.825 116.378 114.554 -0.002 0.000 2.906 394 T HA 0.870 5.219 4.350 -0.001 0.000 0.295 394 T C -0.983 173.810 174.700 0.155 0.000 1.075 394 T CA -0.761 61.371 62.100 0.053 0.000 1.005 394 T CB 2.331 71.183 68.868 -0.027 0.000 1.136 394 T HN 0.765 nan 8.240 nan 0.000 0.498 395 Y N -1.693 118.599 120.300 -0.013 0.000 2.615 395 Y HA 0.767 5.316 4.550 -0.001 0.000 0.341 395 Y C -0.833 175.061 175.900 -0.009 0.000 1.089 395 Y CA -1.327 56.768 58.100 -0.009 0.000 1.049 395 Y CB 0.816 39.277 38.460 0.002 0.000 1.296 395 Y HN 0.634 nan 8.280 nan 0.000 0.470 396 T N 4.428 118.938 114.554 -0.073 0.000 2.727 396 T HA 0.371 4.721 4.350 -0.001 0.000 0.298 396 T C -2.742 171.903 174.700 -0.091 0.000 0.942 396 T CA -1.215 60.795 62.100 -0.151 0.000 0.997 396 T CB 0.469 69.311 68.868 -0.044 0.000 0.917 396 T HN 0.367 nan 8.240 nan 0.000 0.487 397 P HA 0.228 nan 4.420 nan 0.000 0.264 397 P C 1.101 178.427 177.300 0.044 0.000 1.193 397 P CA 0.716 63.819 63.100 0.006 0.000 0.763 397 P CB 0.370 32.033 31.700 -0.061 0.000 0.810 398 G N 2.051 110.904 108.800 0.088 0.000 2.179 398 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.260 398 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.260 398 G C 0.482 175.394 174.900 0.021 0.000 0.977 398 G CA -0.012 45.115 45.100 0.045 0.000 0.641 398 G HN 0.854 nan 8.290 nan 0.000 0.533 399 A N 0.616 123.449 122.820 0.022 0.000 2.498 399 A HA 0.628 4.947 4.320 -0.001 0.000 0.239 399 A C 1.794 179.368 177.584 -0.015 0.000 1.068 399 A CA 1.323 53.361 52.037 0.002 0.000 0.766 399 A CB 0.324 19.328 19.000 0.005 0.000 1.003 399 A HN 1.722 nan 8.150 nan 0.000 0.497 400 S N 0.953 116.640 115.700 -0.021 0.000 2.453 400 S HA -0.140 4.330 4.470 -0.001 0.000 0.231 400 S C 1.391 175.962 174.600 -0.048 0.000 1.005 400 S CA 1.515 59.696 58.200 -0.032 0.000 0.949 400 S CB -0.803 62.381 63.200 -0.026 0.000 0.774 400 S HN 1.189 nan 8.310 nan 0.000 0.510 401 T N -0.744 113.783 114.554 -0.045 0.000 3.129 401 T HA 0.204 4.553 4.350 -0.001 0.000 0.251 401 T C 0.371 175.020 174.700 -0.086 0.000 1.117 401 T CA -0.441 61.623 62.100 -0.059 0.000 1.034 401 T CB -0.581 68.261 68.868 -0.043 0.000 0.968 401 T HN 0.182 nan 8.240 nan 0.000 0.526 402 N N 2.406 121.054 118.700 -0.087 0.000 2.513 402 N HA 0.193 4.932 4.740 -0.001 0.000 0.268 402 N C 0.910 176.270 175.510 -0.249 0.000 1.180 402 N CA -0.307 52.663 53.050 -0.134 0.000 0.948 402 N CB 1.062 39.495 38.487 -0.090 0.000 1.083 402 N HN 0.083 nan 8.380 nan 0.000 0.455 403 K N 1.152 121.308 120.400 -0.407 0.000 2.365 403 K HA 0.052 4.372 4.320 -0.001 0.000 0.197 403 K C 0.050 176.065 176.600 -0.976 0.000 1.042 403 K CA 0.865 56.741 56.287 -0.685 0.000 0.987 403 K CB 0.021 32.007 32.500 -0.857 0.000 0.779 403 K HN 0.563 nan 8.250 nan 0.000 0.484 404 H N -0.349 118.409 119.070 -0.520 0.000 2.865 404 H HA 0.329 4.884 4.556 -0.001 0.000 0.372 404 H C -2.372 172.628 175.328 -0.546 0.000 1.173 404 H CA -2.302 53.255 56.048 -0.819 0.000 1.147 404 H CB 1.816 30.642 29.762 -1.561 0.000 1.805 404 H HN -0.158 nan 8.280 nan 0.000 0.553 405 P HA 0.039 nan 4.420 nan 0.000 0.274 405 P C 0.279 177.417 177.300 -0.269 0.000 1.246 405 P CA -0.258 62.686 63.100 -0.261 0.000 0.795 405 P CB 1.398 32.974 31.700 -0.206 0.000 1.006 406 D N 0.060 120.433 120.400 -0.045 0.000 2.149 406 D HA -0.139 4.501 4.640 -0.001 0.000 0.198 406 D C 1.919 178.255 176.300 0.061 0.000 0.990 406 D CA 1.313 55.358 54.000 0.075 0.000 0.839 406 D CB -0.537 40.390 40.800 0.213 0.000 0.948 406 D HN 0.607 nan 8.370 nan 0.000 0.460 407 W N 0.304 121.679 121.300 0.126 0.000 2.342 407 W HA -0.161 4.499 4.660 -0.001 0.000 0.297 407 W C 1.936 178.535 176.519 0.132 0.000 1.213 407 W CA 0.290 57.705 57.345 0.117 0.000 1.251 407 W CB -1.346 28.178 29.460 0.107 0.000 1.136 407 W HN 0.075 nan 8.180 nan 0.000 0.526 408 W N 3.498 124.312 121.300 -0.809 0.000 2.407 408 W HA -0.118 4.541 4.660 -0.001 0.000 0.305 408 W C 1.908 178.137 176.519 -0.484 0.000 1.196 408 W CA 1.576 58.395 57.345 -0.876 0.000 1.311 408 W CB -1.098 27.569 29.460 -1.321 0.000 1.135 408 W HN -0.132 nan 8.180 nan 0.000 0.514 409 N N 1.075 119.684 118.700 -0.151 0.000 2.223 409 N HA -0.203 4.536 4.740 -0.001 0.000 0.185 409 N C 1.503 176.705 175.510 -0.513 0.000 1.016 409 N CA 1.942 54.706 53.050 -0.477 0.000 0.863 409 N CB -0.606 37.203 38.487 -1.129 0.000 0.983 409 N HN 0.271 nan 8.380 nan 0.000 0.429 410 E N 1.434 121.474 120.200 -0.267 0.000 2.072 410 E HA -0.056 4.294 4.350 -0.001 0.000 0.191 410 E C 1.574 178.214 176.600 0.067 0.000 0.985 410 E CA 1.269 57.691 56.400 0.037 0.000 0.801 410 E CB 0.079 29.894 29.700 0.192 0.000 0.750 410 E HN 0.250 nan 8.360 nan 0.000 0.452 411 K N -0.451 119.985 120.400 0.060 0.000 2.097 411 K HA -0.060 4.259 4.320 -0.001 0.000 0.205 411 K C 2.075 178.694 176.600 0.031 0.000 1.050 411 K CA 1.202 57.526 56.287 0.062 0.000 0.938 411 K CB 0.013 32.548 32.500 0.059 0.000 0.718 411 K HN 0.043 nan 8.250 nan 0.000 0.442 412 V N 1.949 121.847 119.914 -0.027 0.000 2.379 412 V HA -0.231 3.889 4.120 -0.001 0.000 0.245 412 V C 2.385 178.524 176.094 0.075 0.000 1.044 412 V CA 1.563 63.862 62.300 -0.001 0.000 1.036 412 V CB -0.374 31.435 31.823 -0.024 0.000 0.664 412 V HN 0.330 nan 8.190 nan 0.000 0.453 413 K N 0.471 120.902 120.400 0.052 0.000 2.009 413 K HA -0.260 4.059 4.320 -0.001 0.000 0.210 413 K C 2.004 178.670 176.600 0.109 0.000 1.049 413 K CA 2.167 58.513 56.287 0.098 0.000 0.929 413 K CB -0.264 32.339 32.500 0.172 0.000 0.714 413 K HN 0.416 nan 8.250 nan 0.000 0.440 414 N N 0.244 119.015 118.700 0.119 0.000 2.166 414 N HA -0.180 4.559 4.740 -0.001 0.000 0.186 414 N C 1.779 177.371 175.510 0.136 0.000 1.019 414 N CA 1.402 54.522 53.050 0.116 0.000 0.856 414 N CB -0.594 37.966 38.487 0.121 0.000 0.993 414 N HN 0.452 nan 8.380 nan 0.000 0.426 415 H N 0.610 119.733 119.070 0.088 0.000 2.321 415 H HA 0.108 4.664 4.556 -0.001 0.000 0.300 415 H C 2.044 177.459 175.328 0.145 0.000 1.087 415 H CA 1.657 57.783 56.048 0.131 0.000 1.319 415 H CB -0.102 29.655 29.762 -0.009 0.000 1.379 415 H HN 0.086 nan 8.280 nan 0.000 0.501 416 M N -0.830 118.782 119.600 0.020 0.000 2.229 416 M HA -0.123 4.356 4.480 -0.001 0.000 0.264 416 M C 1.642 178.004 176.300 0.102 0.000 1.063 416 M CA 1.074 56.394 55.300 0.033 0.000 1.114 416 M CB 0.100 32.784 32.600 0.140 0.000 1.387 416 M HN 0.348 nan 8.290 nan 0.000 0.420 417 M N -0.603 119.044 119.600 0.078 0.000 2.334 417 M HA -0.063 4.416 4.480 -0.001 0.000 0.266 417 M C 1.826 178.130 176.300 0.007 0.000 1.082 417 M CA 1.541 56.895 55.300 0.091 0.000 1.141 417 M CB -0.831 31.801 32.600 0.054 0.000 1.380 417 M HN 0.290 nan 8.290 nan 0.000 0.440 418 Q N -0.809 118.942 119.800 -0.082 0.000 2.269 418 Q HA -0.037 4.302 4.340 -0.001 0.000 0.201 418 Q C 0.081 175.777 176.000 -0.506 0.000 0.946 418 Q CA 0.760 56.404 55.803 -0.266 0.000 0.877 418 Q CB 0.359 28.924 28.738 -0.288 0.000 0.963 418 Q HN 0.513 nan 8.270 nan 0.000 0.472 419 H N 0.213 119.218 119.070 -0.108 0.000 2.348 419 H HA 0.198 4.754 4.556 -0.001 0.000 0.232 419 H C 0.007 175.265 175.328 -0.116 0.000 1.419 419 H CA -0.072 55.918 56.048 -0.096 0.000 1.416 419 H CB 0.600 30.283 29.762 -0.132 0.000 1.510 419 H HN 0.266 nan 8.280 nan 0.000 0.507 420 Q N 0.632 120.425 119.800 -0.013 0.000 2.435 420 Q HA -0.089 4.250 4.340 -0.001 0.000 0.207 420 Q C 1.738 177.685 176.000 -0.088 0.000 0.956 420 Q CA 0.638 56.389 55.803 -0.088 0.000 0.917 420 Q CB 0.481 29.123 28.738 -0.159 0.000 0.997 420 Q HN 0.519 nan 8.270 nan 0.000 0.497 421 E N 1.169 121.366 120.200 -0.005 0.000 2.435 421 E HA -0.092 4.258 4.350 -0.001 0.000 0.195 421 E C -0.357 176.275 176.600 0.053 0.000 1.029 421 E CA 0.459 56.869 56.400 0.017 0.000 0.865 421 E CB 0.054 29.782 29.700 0.047 0.000 0.833 421 E HN 0.141 nan 8.360 nan 0.000 0.510 422 D N 1.835 122.282 120.400 0.078 0.000 2.198 422 D HA 0.148 4.787 4.640 -0.001 0.000 0.245 422 D C -1.590 174.751 176.300 0.068 0.000 1.079 422 D CA -2.192 51.877 54.000 0.114 0.000 0.854 422 D CB 1.691 42.587 40.800 0.159 0.000 1.148 422 D HN -0.183 nan 8.370 nan 0.000 0.456 423 P HA 0.111 nan 4.420 nan 0.000 0.245 423 P C -0.149 177.181 177.300 0.050 0.000 1.206 423 P CA 0.162 63.290 63.100 0.046 0.000 0.781 423 P CB 0.405 32.127 31.700 0.037 0.000 0.994 424 L N 1.877 123.132 121.223 0.054 0.000 2.334 424 L HA 0.357 4.696 4.340 -0.001 0.000 0.275 424 L C -1.281 175.615 176.870 0.044 0.000 1.036 424 L CA -2.215 52.634 54.840 0.015 0.000 0.807 424 L CB 1.936 43.969 42.059 -0.044 0.000 1.231 424 L HN -0.279 nan 8.230 nan 0.000 0.438 425 P HA 0.074 nan 4.420 nan 0.000 0.245 425 P C 0.284 177.464 177.300 -0.201 0.000 1.206 425 P CA 0.531 63.642 63.100 0.018 0.000 0.781 425 P CB 0.407 32.116 31.700 0.016 0.000 0.994 426 I N 2.354 122.701 120.570 -0.371 0.000 2.416 426 I HA 0.186 4.355 4.170 -0.001 0.000 0.288 426 I C -2.087 173.481 176.117 -0.915 0.000 1.051 426 I CA -2.652 58.349 61.300 -0.497 0.000 1.375 426 I CB 0.549 38.343 38.000 -0.344 0.000 1.407 426 I HN -0.223 nan 8.210 nan 0.000 0.516 427 P HA -0.005 nan 4.420 nan 0.000 0.266 427 P C 0.272 177.287 177.300 -0.474 0.000 1.195 427 P CA 0.048 62.745 63.100 -0.671 0.000 0.768 427 P CB 0.345 31.919 31.700 -0.211 0.000 0.838 428 F N 0.714 120.532 119.950 -0.220 0.000 2.171 428 F HA -0.126 4.400 4.527 -0.001 0.000 0.300 428 F C 1.821 177.581 175.800 -0.067 0.000 1.090 428 F CA 1.609 59.533 58.000 -0.126 0.000 1.293 428 F CB -0.495 38.447 39.000 -0.097 0.000 1.013 428 F HN 0.333 nan 8.300 nan 0.000 0.486 429 E N 0.350 120.633 120.200 0.139 0.000 2.496 429 E HA 0.019 4.368 4.350 -0.001 0.000 0.202 429 E C -0.477 176.146 176.600 0.039 0.000 1.021 429 E CA -0.101 56.353 56.400 0.090 0.000 1.015 429 E CB -0.462 29.294 29.700 0.092 0.000 1.102 429 E HN 0.247 nan 8.360 nan 0.000 0.452 430 D N 2.549 122.949 120.400 0.000 0.000 2.487 430 D HA 0.024 4.663 4.640 -0.001 0.000 0.243 430 D C -2.307 174.011 176.300 0.031 0.000 1.154 430 D CA -1.266 52.724 54.000 -0.018 0.000 0.876 430 D CB 0.799 41.548 40.800 -0.085 0.000 1.161 430 D HN -0.098 nan 8.370 nan 0.000 0.478 431 P HA 0.067 nan 4.420 nan 0.000 0.269 431 P C -0.673 176.753 177.300 0.210 0.000 1.217 431 P CA -0.136 63.061 63.100 0.161 0.000 0.783 431 P CB 0.478 32.254 31.700 0.127 0.000 0.898 432 E N 2.799 123.147 120.200 0.246 0.000 2.404 432 E HA 0.143 4.492 4.350 -0.001 0.000 0.261 432 E C -1.908 174.721 176.600 0.048 0.000 1.074 432 E CA -1.204 55.248 56.400 0.088 0.000 0.917 432 E CB -0.753 28.951 29.700 0.007 0.000 0.965 432 E HN 0.399 nan 8.360 nan 0.000 0.433 433 P HA 0.036 nan 4.420 nan 0.000 0.275 433 P C -0.865 176.456 177.300 0.035 0.000 1.228 433 P CA -0.166 63.002 63.100 0.113 0.000 0.786 433 P CB 0.672 32.396 31.700 0.040 0.000 0.927 434 Q N 1.221 121.146 119.800 0.208 0.000 3.557 434 Q HA 0.296 4.635 4.340 -0.001 0.000 0.264 434 Q C -0.893 175.219 176.000 0.187 0.000 0.850 434 Q CA -0.356 55.467 55.803 0.034 0.000 0.833 434 Q CB 1.133 29.672 28.738 -0.332 0.000 1.505 434 Q HN 0.204 nan 8.270 nan 0.000 0.402 435 V N 0.608 120.578 119.914 0.095 0.000 2.547 435 V HA 0.737 4.856 4.120 -0.001 0.000 0.299 435 V C 0.199 176.312 176.094 0.032 0.000 1.040 435 V CA -0.365 61.977 62.300 0.070 0.000 0.913 435 V CB 2.013 33.807 31.823 -0.047 0.000 0.992 435 V HN 0.434 nan 8.190 nan 0.000 0.449 436 T N 1.754 116.357 114.554 0.082 0.000 2.923 436 T HA 0.461 4.811 4.350 -0.001 0.000 0.311 436 T C -0.928 173.727 174.700 -0.076 0.000 1.183 436 T CA -0.322 61.771 62.100 -0.012 0.000 1.020 436 T CB 1.860 70.705 68.868 -0.038 0.000 1.165 436 T HN 0.810 nan 8.240 nan 0.000 0.482 437 T N 4.714 119.076 114.554 -0.321 0.000 2.772 437 T HA 0.594 4.943 4.350 -0.001 0.000 0.288 437 T C -0.029 174.532 174.700 -0.231 0.000 0.994 437 T CA -0.597 61.169 62.100 -0.557 0.000 0.951 437 T CB -0.211 67.898 68.868 -1.265 0.000 0.933 437 T HN 0.519 nan 8.240 nan 0.000 0.447 438 L N 4.467 125.635 121.223 -0.092 0.000 2.467 438 L HA 0.359 4.698 4.340 -0.001 0.000 0.270 438 L C 0.769 177.655 176.870 0.028 0.000 1.205 438 L CA -0.869 54.004 54.840 0.055 0.000 0.828 438 L CB 0.137 42.226 42.059 0.049 0.000 1.101 438 L HN 0.623 nan 8.230 nan 0.000 0.479 439 F N 3.095 122.989 119.950 -0.093 0.000 2.480 439 F HA -0.137 4.390 4.527 -0.001 0.000 0.409 439 F C 0.330 175.889 175.800 -0.402 0.000 0.979 439 F CA 0.740 58.593 58.000 -0.245 0.000 1.184 439 F CB 0.036 38.941 39.000 -0.159 0.000 0.925 439 F HN 0.408 nan 8.300 nan 0.000 0.543 440 Q N 6.725 126.050 119.800 -0.792 0.000 2.495 440 Q HA 0.277 4.616 4.340 -0.001 0.000 0.287 440 Q C -1.957 173.625 176.000 -0.697 0.000 1.078 440 Q CA -1.782 53.645 55.803 -0.627 0.000 0.793 440 Q CB 1.335 29.586 28.738 -0.812 0.000 1.459 440 Q HN 0.222 nan 8.270 nan 0.000 0.422 441 P HA -0.193 nan 4.420 nan 0.000 0.216 441 P C 1.133 178.229 177.300 -0.341 0.000 1.153 441 P CA 2.056 65.002 63.100 -0.256 0.000 0.858 441 P CB 0.221 31.850 31.700 -0.119 0.000 0.789 442 S N -1.822 113.673 115.700 -0.342 0.000 2.562 442 S HA -0.080 4.389 4.470 -0.001 0.000 0.221 442 S C 0.428 174.853 174.600 -0.291 0.000 0.975 442 S CA 0.044 58.113 58.200 -0.219 0.000 0.918 442 S CB -1.246 61.928 63.200 -0.043 0.000 0.772 442 S HN 0.429 nan 8.310 nan 0.000 0.531 443 H N -1.075 117.565 119.070 -0.718 0.000 2.596 443 H HA 0.457 5.012 4.556 -0.001 0.000 0.240 443 H C -3.222 170.963 175.328 -1.904 0.000 1.406 443 H CA -1.818 53.398 56.048 -1.387 0.000 1.504 443 H CB 0.551 29.749 29.762 -0.940 0.000 1.688 443 H HN 0.057 nan 8.280 nan 0.000 0.546 444 P HA 0.076 nan 4.420 nan 0.000 0.220 444 P C -1.249 175.435 177.300 -1.027 0.000 1.806 444 P CA 0.181 62.218 63.100 -1.771 0.000 0.976 444 P CB -1.013 30.188 31.700 -0.831 0.000 1.952 445 W N -0.346 120.584 121.300 -0.617 0.000 3.137 445 W HA 0.523 5.183 4.660 -0.001 0.000 0.324 445 W C -1.015 175.579 176.519 0.123 0.000 1.253 445 W CA -1.238 56.100 57.345 -0.011 0.000 1.183 445 W CB 0.100 29.596 29.460 0.060 0.000 1.424 445 W HN -0.023 nan 8.180 nan 0.000 0.566 446 H N 0.988 120.328 119.070 0.451 0.000 2.482 446 H HA 0.725 5.281 4.556 -0.001 0.000 0.344 446 H C -0.225 175.258 175.328 0.259 0.000 1.151 446 H CA 0.413 56.628 56.048 0.278 0.000 1.300 446 H CB 1.550 31.431 29.762 0.198 0.000 1.494 446 H HN 0.581 nan 8.280 nan 0.000 0.542 447 T N 2.011 116.213 114.554 -0.586 0.000 2.893 447 T HA 0.504 4.854 4.350 -0.001 0.000 0.293 447 T C -0.855 173.547 174.700 -0.495 0.000 1.027 447 T CA -1.124 60.644 62.100 -0.553 0.000 0.988 447 T CB 1.681 70.088 68.868 -0.769 0.000 1.043 447 T HN 0.653 nan 8.240 nan 0.000 0.461 448 Q N 1.769 121.476 119.800 -0.156 0.000 2.285 448 Q HA 0.560 4.900 4.340 -0.001 0.000 0.269 448 Q C -1.277 174.641 176.000 -0.137 0.000 1.030 448 Q CA -0.687 54.968 55.803 -0.246 0.000 0.788 448 Q CB 2.683 31.165 28.738 -0.427 0.000 1.266 448 Q HN 0.718 nan 8.270 nan 0.000 0.438 449 I N 3.474 123.923 120.570 -0.201 0.000 2.495 449 I HA 0.356 4.526 4.170 -0.001 0.000 0.277 449 I C -0.502 175.527 176.117 -0.147 0.000 1.045 449 I CA -0.269 60.785 61.300 -0.409 0.000 1.135 449 I CB 0.535 38.154 38.000 -0.634 0.000 1.241 449 I HN 0.719 nan 8.210 nan 0.000 0.469 450 H N 3.644 122.553 119.070 -0.268 0.000 2.883 450 H HA 0.678 5.234 4.556 -0.001 0.000 0.277 450 H C -1.349 173.935 175.328 -0.073 0.000 1.451 450 H CA -1.338 54.632 56.048 -0.130 0.000 1.157 450 H CB 1.484 31.206 29.762 -0.067 0.000 1.851 450 H HN 0.131 nan 8.280 nan 0.000 0.566 451 R N 1.380 121.739 120.500 -0.235 0.000 2.574 451 R HA 0.432 4.771 4.340 -0.001 0.000 0.288 451 R C -1.591 174.522 176.300 -0.311 0.000 1.004 451 R CA -0.581 55.339 56.100 -0.300 0.000 0.895 451 R CB 1.807 32.036 30.300 -0.118 0.000 1.191 451 R HN 0.862 nan 8.270 nan 0.000 0.444 452 D N 0.205 120.427 120.400 -0.296 0.000 2.692 452 D HA 0.428 5.067 4.640 -0.001 0.000 0.290 452 D C -1.421 174.799 176.300 -0.133 0.000 1.281 452 D CA -0.400 53.465 54.000 -0.226 0.000 0.804 452 D CB 2.307 42.956 40.800 -0.252 0.000 1.331 452 D HN 0.487 nan 8.370 nan 0.000 0.432 453 A N 1.229 123.886 122.820 -0.270 0.000 2.260 453 A HA 0.653 4.973 4.320 -0.001 0.000 0.308 453 A C -1.005 176.339 177.584 -0.400 0.000 1.254 453 A CA -0.113 51.822 52.037 -0.170 0.000 0.874 453 A CB -0.179 18.815 19.000 -0.009 0.000 1.153 453 A HN 0.306 nan 8.150 nan 0.000 0.527 454 F N 0.563 120.353 119.950 -0.266 0.000 2.746 454 F HA 0.411 4.938 4.527 -0.001 0.000 0.378 454 F C 1.771 177.370 175.800 -0.336 0.000 1.165 454 F CA 0.123 57.918 58.000 -0.342 0.000 1.089 454 F CB 1.333 39.912 39.000 -0.702 0.000 1.439 454 F HN 0.531 nan 8.300 nan 0.000 0.516 455 S N -0.955 114.726 115.700 -0.031 0.000 2.607 455 S HA 0.048 4.518 4.470 -0.001 0.000 0.224 455 S C -0.399 174.232 174.600 0.052 0.000 0.969 455 S CA 0.450 58.646 58.200 -0.007 0.000 0.927 455 S CB -1.192 62.043 63.200 0.059 0.000 0.772 455 S HN 0.540 nan 8.310 nan 0.000 0.533 456 Y N -3.525 116.743 120.300 -0.053 0.000 2.644 456 Y HA 0.738 5.288 4.550 -0.001 0.000 0.338 456 Y C 0.672 176.490 175.900 -0.136 0.000 1.119 456 Y CA -1.073 56.954 58.100 -0.122 0.000 1.060 456 Y CB 0.661 38.993 38.460 -0.214 0.000 1.294 456 Y HN 0.179 nan 8.280 nan 0.000 0.472 457 G N -0.274 108.503 108.800 -0.038 0.000 2.149 457 G HA2 0.074 4.033 3.960 -0.001 0.000 0.235 457 G HA3 0.074 4.033 3.960 -0.001 0.000 0.235 457 G C 0.097 175.030 174.900 0.056 0.000 1.018 457 G CA -0.165 44.962 45.100 0.044 0.000 0.728 457 G HN 1.431 nan 8.290 nan 0.000 0.508 458 A N -0.567 122.275 122.820 0.037 0.000 2.445 458 A HA 0.626 4.946 4.320 -0.001 0.000 0.242 458 A C 0.867 178.489 177.584 0.063 0.000 1.075 458 A CA 0.309 52.368 52.037 0.037 0.000 0.777 458 A CB 0.810 19.827 19.000 0.029 0.000 1.013 458 A HN 1.241 nan 8.150 nan 0.000 0.493 459 V N 4.416 124.364 119.914 0.056 0.000 2.508 459 V HA 0.081 4.200 4.120 -0.001 0.000 0.281 459 V C 0.626 176.751 176.094 0.051 0.000 1.041 459 V CA -0.261 62.074 62.300 0.058 0.000 1.016 459 V CB 0.593 32.446 31.823 0.051 0.000 0.984 459 V HN 1.033 nan 8.190 nan 0.000 0.478 460 Q N 3.342 123.173 119.800 0.051 0.000 2.722 460 Q HA 0.280 4.619 4.340 -0.001 0.000 0.187 460 Q C 0.701 176.724 176.000 0.039 0.000 1.110 460 Q CA -0.293 55.536 55.803 0.043 0.000 0.798 460 Q CB 0.216 28.979 28.738 0.042 0.000 3.872 460 Q HN 0.566 nan 8.270 nan 0.000 0.411 461 Q N -0.159 119.662 119.800 0.035 0.000 2.391 461 Q HA 0.077 4.417 4.340 -0.001 0.000 0.243 461 Q C 1.825 177.844 176.000 0.032 0.000 0.874 461 Q CA 0.891 56.713 55.803 0.032 0.000 0.950 461 Q CB 0.342 29.097 28.738 0.027 0.000 1.103 461 Q HN 0.678 nan 8.270 nan 0.000 0.544 462 S N -0.603 115.116 115.700 0.031 0.000 2.436 462 S HA 0.078 4.547 4.470 -0.001 0.000 0.228 462 S C 0.967 175.585 174.600 0.031 0.000 1.014 462 S CA 0.178 58.396 58.200 0.029 0.000 0.950 462 S CB 0.284 63.499 63.200 0.025 0.000 0.784 462 S HN 0.080 nan 8.310 nan 0.000 0.504 463 I N 2.668 123.259 120.570 0.034 0.000 2.412 463 I HA 0.370 4.539 4.170 -0.001 0.000 0.296 463 I C -0.006 176.135 176.117 0.041 0.000 0.987 463 I CA -1.227 60.094 61.300 0.035 0.000 1.180 463 I CB 1.283 39.304 38.000 0.034 0.000 1.340 463 I HN 0.191 nan 8.210 nan 0.000 0.455 464 D N 3.655 124.080 120.400 0.042 0.000 2.487 464 D HA -0.049 4.591 4.640 -0.001 0.000 0.243 464 D C 1.234 177.562 176.300 0.046 0.000 1.154 464 D CA 0.236 54.267 54.000 0.051 0.000 0.876 464 D CB 1.228 42.060 40.800 0.053 0.000 1.161 464 D HN 0.657 nan 8.370 nan 0.000 0.478 465 S N 4.328 120.060 115.700 0.052 0.000 2.419 465 S HA -0.195 4.274 4.470 -0.001 0.000 0.233 465 S C 1.672 176.292 174.600 0.033 0.000 1.016 465 S CA 0.634 58.861 58.200 0.045 0.000 0.974 465 S CB -0.060 63.170 63.200 0.050 0.000 0.786 465 S HN 0.553 nan 8.310 nan 0.000 0.492 466 R N 0.819 121.334 120.500 0.026 0.000 2.193 466 R HA 0.130 4.470 4.340 -0.001 0.000 0.229 466 R C 1.816 178.110 176.300 -0.009 0.000 1.110 466 R CA 1.245 57.340 56.100 -0.009 0.000 0.988 466 R CB -0.575 29.693 30.300 -0.054 0.000 0.871 466 R HN 0.461 nan 8.270 nan 0.000 0.458 467 L N 0.287 121.516 121.223 0.009 0.000 2.509 467 L HA 0.134 4.474 4.340 -0.001 0.000 0.222 467 L C 0.673 177.567 176.870 0.038 0.000 1.123 467 L CA 0.163 55.014 54.840 0.018 0.000 0.856 467 L CB 0.119 42.190 42.059 0.020 0.000 0.985 467 L HN 0.057 nan 8.230 nan 0.000 0.456 468 I N 0.225 120.820 120.570 0.041 0.000 2.353 468 I HA 0.257 4.426 4.170 -0.001 0.000 0.293 468 I C -0.600 175.552 176.117 0.060 0.000 0.992 468 I CA -0.431 60.906 61.300 0.061 0.000 1.268 468 I CB 1.854 39.889 38.000 0.057 0.000 1.387 468 I HN -0.293 nan 8.210 nan 0.000 0.478 469 V N 4.961 124.937 119.914 0.104 0.000 2.656 469 V HA 0.339 4.458 4.120 -0.001 0.000 0.307 469 V C -0.730 175.415 176.094 0.085 0.000 1.051 469 V CA -0.854 61.477 62.300 0.052 0.000 0.893 469 V CB 2.144 34.002 31.823 0.058 0.000 0.999 469 V HN 0.584 nan 8.190 nan 0.000 0.426 470 D N 2.489 122.872 120.400 -0.028 0.000 2.210 470 D HA 0.437 5.077 4.640 -0.001 0.000 0.249 470 D C -1.020 175.238 176.300 -0.071 0.000 1.062 470 D CA 0.037 54.078 54.000 0.069 0.000 0.891 470 D CB 1.412 42.273 40.800 0.101 0.000 1.186 470 D HN 0.445 nan 8.370 nan 0.000 0.432 471 W N 1.371 122.708 121.300 0.062 0.000 2.475 471 W HA 0.426 5.085 4.660 -0.001 0.000 0.320 471 W C 0.186 176.776 176.519 0.119 0.000 1.022 471 W CA -0.839 56.566 57.345 0.100 0.000 1.240 471 W CB 1.184 30.584 29.460 -0.098 0.000 1.328 471 W HN -0.068 nan 8.180 nan 0.000 0.439 472 R N 3.115 123.845 120.500 0.384 0.000 2.435 472 R HA 0.510 4.850 4.340 -0.001 0.000 0.308 472 R C -1.474 174.972 176.300 0.244 0.000 0.975 472 R CA -0.833 55.347 56.100 0.133 0.000 0.867 472 R CB 1.497 31.787 30.300 -0.016 0.000 1.171 472 R HN 0.153 nan 8.270 nan 0.000 0.470 473 F N 3.025 122.804 119.950 -0.286 0.000 2.458 473 F HA 0.504 5.031 4.527 -0.001 0.000 0.336 473 F C -0.321 175.342 175.800 -0.229 0.000 1.114 473 F CA -1.542 56.385 58.000 -0.121 0.000 0.987 473 F CB 1.075 39.977 39.000 -0.163 0.000 1.130 473 F HN 0.291 nan 8.300 nan 0.000 0.458 474 F N 1.250 121.379 119.950 0.299 0.000 2.477 474 F HA 0.650 5.176 4.527 -0.001 0.000 0.335 474 F C 0.595 176.594 175.800 0.332 0.000 1.130 474 F CA -1.209 56.965 58.000 0.290 0.000 0.948 474 F CB 1.466 40.692 39.000 0.376 0.000 1.154 474 F HN 0.526 nan 8.300 nan 0.000 0.439 475 G N 2.066 111.104 108.800 0.396 0.000 2.451 475 G HA2 0.608 4.567 3.960 -0.001 0.000 0.303 475 G HA3 0.608 4.567 3.960 -0.001 0.000 0.303 475 G C -0.774 174.314 174.900 0.313 0.000 1.166 475 G CA -1.053 44.264 45.100 0.361 0.000 0.884 475 G HN 0.719 nan 8.290 nan 0.000 0.514 476 R N -0.628 120.058 120.500 0.310 0.000 2.404 476 R HA 0.634 4.973 4.340 -0.001 0.000 0.291 476 R C -0.966 175.435 176.300 0.168 0.000 1.025 476 R CA -0.521 55.686 56.100 0.178 0.000 0.991 476 R CB 1.192 31.621 30.300 0.216 0.000 1.053 476 R HN 0.262 nan 8.270 nan 0.000 0.479 477 T N 2.509 117.132 114.554 0.115 0.000 2.792 477 T HA 0.167 4.516 4.350 -0.001 0.000 0.280 477 T C -0.758 174.027 174.700 0.142 0.000 0.990 477 T CA -0.737 61.478 62.100 0.191 0.000 0.960 477 T CB 1.324 70.376 68.868 0.306 0.000 0.939 477 T HN 0.582 nan 8.240 nan 0.000 0.439 478 E N 4.468 124.754 120.200 0.142 0.000 2.376 478 E HA 0.134 4.483 4.350 -0.001 0.000 0.266 478 E C -2.128 174.555 176.600 0.139 0.000 1.009 478 E CA -1.486 54.989 56.400 0.124 0.000 0.902 478 E CB 0.311 30.074 29.700 0.105 0.000 0.972 478 E HN 0.308 nan 8.360 nan 0.000 0.439 479 P HA 0.067 nan 4.420 nan 0.000 0.276 479 P C -0.942 176.522 177.300 0.273 0.000 1.253 479 P CA 0.018 63.262 63.100 0.240 0.000 0.766 479 P CB 0.652 32.507 31.700 0.259 0.000 0.845 480 K N 2.773 123.277 120.400 0.174 0.000 2.443 480 K HA 0.172 4.492 4.320 -0.001 0.000 0.252 480 K C 0.987 177.429 176.600 -0.263 0.000 0.933 480 K CA -0.732 55.574 56.287 0.031 0.000 0.792 480 K CB 2.300 34.777 32.500 -0.039 0.000 1.185 480 K HN 0.460 nan 8.250 nan 0.000 0.425 481 E N 2.213 122.078 120.200 -0.558 0.000 2.130 481 E HA -0.234 4.115 4.350 -0.001 0.000 0.196 481 E C 0.970 177.317 176.600 -0.421 0.000 0.998 481 E CA 1.651 57.486 56.400 -0.942 0.000 0.806 481 E CB 0.473 29.831 29.700 -0.570 0.000 0.738 481 E HN 0.554 nan 8.360 nan 0.000 0.459 482 E N 0.273 120.331 120.200 -0.238 0.000 2.358 482 E HA -0.091 4.258 4.350 -0.001 0.000 0.195 482 E C -0.030 176.508 176.600 -0.103 0.000 1.010 482 E CA 0.232 56.546 56.400 -0.143 0.000 0.856 482 E CB -0.220 29.412 29.700 -0.113 0.000 0.795 482 E HN 0.083 nan 8.360 nan 0.000 0.504 483 N N 2.042 120.673 118.700 -0.114 0.000 2.411 483 N HA 0.183 4.922 4.740 -0.001 0.000 0.259 483 N C -0.746 174.828 175.510 0.107 0.000 1.103 483 N CA 0.133 53.172 53.050 -0.017 0.000 0.954 483 N CB 1.125 39.571 38.487 -0.068 0.000 1.085 483 N HN 0.110 nan 8.380 nan 0.000 0.485 484 K N 1.223 121.741 120.400 0.198 0.000 2.469 484 K HA 0.458 4.777 4.320 -0.001 0.000 0.254 484 K C -1.166 175.592 176.600 0.264 0.000 0.939 484 K CA -0.908 55.512 56.287 0.221 0.000 0.812 484 K CB 2.447 35.079 32.500 0.220 0.000 1.301 484 K HN 0.180 nan 8.250 nan 0.000 0.433 485 L N 3.999 125.321 121.223 0.165 0.000 2.305 485 L HA 0.579 4.918 4.340 -0.001 0.000 0.284 485 L C -1.312 175.491 176.870 -0.112 0.000 1.013 485 L CA -0.079 54.691 54.840 -0.118 0.000 0.819 485 L CB 0.562 42.553 42.059 -0.114 0.000 1.227 485 L HN 0.704 nan 8.230 nan 0.000 0.417 486 W N 3.626 124.632 121.300 -0.491 0.000 3.017 486 W HA 0.643 5.302 4.660 -0.001 0.000 0.341 486 W C -2.177 173.895 176.519 -0.744 0.000 1.180 486 W CA -1.209 55.907 57.345 -0.382 0.000 1.097 486 W CB 0.942 30.323 29.460 -0.131 0.000 1.468 486 W HN 0.333 nan 8.180 nan 0.000 0.584 487 F N 1.501 121.635 119.950 0.307 0.000 2.529 487 F HA 0.331 4.857 4.527 -0.001 0.000 0.320 487 F C 0.778 176.724 175.800 0.244 0.000 1.118 487 F CA -0.912 57.146 58.000 0.096 0.000 0.915 487 F CB 2.099 41.138 39.000 0.065 0.000 1.161 487 F HN 0.258 nan 8.300 nan 0.000 0.445 488 S N 1.186 117.015 115.700 0.214 0.000 2.560 488 S HA 0.033 4.502 4.470 -0.001 0.000 0.284 488 S C 0.773 175.514 174.600 0.233 0.000 1.327 488 S CA -0.438 57.922 58.200 0.266 0.000 1.055 488 S CB 0.331 63.601 63.200 0.117 0.000 0.868 488 S HN 0.697 nan 8.310 nan 0.000 0.506 489 D N 2.732 123.260 120.400 0.213 0.000 2.339 489 D HA 0.040 4.680 4.640 -0.001 0.000 0.217 489 D C 0.981 177.339 176.300 0.098 0.000 1.050 489 D CA 0.306 54.387 54.000 0.135 0.000 0.856 489 D CB 0.018 40.882 40.800 0.108 0.000 0.922 489 D HN 0.735 nan 8.370 nan 0.000 0.518 490 K N -0.678 119.783 120.400 0.102 0.000 2.493 490 K HA 0.186 4.505 4.320 -0.001 0.000 0.201 490 K C 0.339 176.979 176.600 0.067 0.000 1.355 490 K CA -0.366 55.966 56.287 0.075 0.000 0.953 490 K CB 0.564 33.107 32.500 0.072 0.000 1.316 490 K HN -0.085 nan 8.250 nan 0.000 0.522 491 I N 4.062 124.675 120.570 0.072 0.000 2.365 491 I HA 0.167 4.336 4.170 -0.001 0.000 0.291 491 I C 0.279 176.429 176.117 0.056 0.000 1.004 491 I CA -0.105 61.227 61.300 0.053 0.000 1.311 491 I CB 1.049 39.070 38.000 0.035 0.000 1.401 491 I HN 0.271 nan 8.210 nan 0.000 0.491 492 T N 1.581 116.165 114.554 0.050 0.000 2.932 492 T HA 0.575 4.924 4.350 -0.001 0.000 0.289 492 T C -0.236 174.498 174.700 0.056 0.000 1.039 492 T CA -0.917 61.218 62.100 0.059 0.000 1.024 492 T CB 2.266 71.165 68.868 0.051 0.000 1.090 492 T HN 0.543 nan 8.240 nan 0.000 0.496 493 D N 0.628 121.078 120.400 0.083 0.000 2.478 493 D HA 0.434 5.074 4.640 -0.001 0.000 0.274 493 D C 1.621 177.956 176.300 0.059 0.000 1.234 493 D CA -0.407 53.647 54.000 0.090 0.000 1.069 493 D CB -0.068 40.825 40.800 0.155 0.000 1.113 493 D HN 0.627 nan 8.370 nan 0.000 0.571 494 A N -1.388 121.456 122.820 0.039 0.000 2.067 494 A HA -0.113 4.206 4.320 -0.001 0.000 0.219 494 A C 1.190 178.588 177.584 -0.309 0.000 1.158 494 A CA 0.906 52.863 52.037 -0.133 0.000 0.661 494 A CB -0.937 17.954 19.000 -0.180 0.000 0.801 494 A HN 0.551 nan 8.150 nan 0.000 0.452 495 Y N -0.452 119.871 120.300 0.038 0.000 2.658 495 Y HA 0.213 4.763 4.550 -0.001 0.000 0.276 495 Y C 0.640 176.566 175.900 0.044 0.000 1.167 495 Y CA -0.526 57.600 58.100 0.045 0.000 1.230 495 Y CB 0.025 38.498 38.460 0.022 0.000 1.144 495 Y HN 0.348 nan 8.280 nan 0.000 0.529 496 N N -0.083 118.682 118.700 0.109 0.000 2.741 496 N HA -0.175 4.565 4.740 -0.001 0.000 0.250 496 N C -0.539 175.014 175.510 0.071 0.000 1.115 496 N CA 0.866 53.957 53.050 0.069 0.000 0.724 496 N CB -0.785 37.725 38.487 0.039 0.000 1.090 496 N HN 0.302 nan 8.380 nan 0.000 0.558 497 M N -0.086 119.574 119.600 0.100 0.000 2.528 497 M HA 0.384 4.863 4.480 -0.001 0.000 0.318 497 M C -2.102 174.254 176.300 0.094 0.000 1.195 497 M CA -1.918 53.429 55.300 0.077 0.000 1.000 497 M CB 0.510 33.157 32.600 0.078 0.000 1.615 497 M HN -0.292 nan 8.290 nan 0.000 0.469 498 P HA -0.001 nan 4.420 nan 0.000 0.264 498 P C -0.627 176.823 177.300 0.250 0.000 1.193 498 P CA 0.041 63.230 63.100 0.149 0.000 0.763 498 P CB 0.244 32.035 31.700 0.151 0.000 0.810 499 Q N 6.845 126.740 119.800 0.158 0.000 2.271 499 Q HA 0.166 4.505 4.340 -0.001 0.000 0.273 499 Q C -2.281 173.686 176.000 -0.056 0.000 1.051 499 Q CA -1.943 53.902 55.803 0.070 0.000 0.901 499 Q CB -0.293 28.436 28.738 -0.015 0.000 1.174 499 Q HN 0.282 nan 8.270 nan 0.000 0.385 500 P HA 0.125 nan 4.420 nan 0.000 0.271 500 P C -1.070 175.734 177.300 -0.826 0.000 1.216 500 P CA -0.110 62.578 63.100 -0.688 0.000 0.776 500 P CB 0.993 32.381 31.700 -0.520 0.000 0.881 501 T N 2.626 116.447 114.554 -1.223 0.000 2.971 501 T HA 0.497 4.847 4.350 -0.001 0.000 0.304 501 T C -0.716 173.284 174.700 -1.166 0.000 1.038 501 T CA -0.132 61.259 62.100 -1.182 0.000 1.007 501 T CB 0.449 68.272 68.868 -1.742 0.000 1.055 501 T HN 0.030 nan 8.240 nan 0.000 0.451 502 F N 1.929 121.609 119.950 -0.451 0.000 2.425 502 F HA 0.546 5.073 4.527 -0.001 0.000 0.331 502 F C 0.635 176.408 175.800 -0.046 0.000 1.085 502 F CA -0.892 56.978 58.000 -0.216 0.000 1.028 502 F CB 1.136 40.053 39.000 -0.139 0.000 1.177 502 F HN 0.392 nan 8.300 nan 0.000 0.487 503 D N 3.336 123.925 120.400 0.316 0.000 2.389 503 D HA 0.240 4.879 4.640 -0.001 0.000 0.256 503 D C -1.788 174.650 176.300 0.231 0.000 1.239 503 D CA -0.101 54.063 54.000 0.274 0.000 0.925 503 D CB 0.401 41.389 40.800 0.313 0.000 1.145 503 D HN 0.302 nan 8.370 nan 0.000 0.542 504 F N 3.301 123.253 119.950 0.005 0.000 2.581 504 F HA 0.582 5.109 4.527 -0.001 0.000 0.311 504 F C -1.239 174.459 175.800 -0.169 0.000 1.113 504 F CA -0.594 57.342 58.000 -0.108 0.000 0.935 504 F CB 1.372 40.251 39.000 -0.203 0.000 1.232 504 F HN 0.024 nan 8.300 nan 0.000 0.445 505 R N 4.229 124.181 120.500 -0.914 0.000 2.698 505 R HA 0.370 4.710 4.340 -0.001 0.000 0.275 505 R C -1.678 173.978 176.300 -1.074 0.000 1.001 505 R CA -0.954 54.739 56.100 -0.679 0.000 0.896 505 R CB 1.752 31.871 30.300 -0.301 0.000 1.218 505 R HN 0.590 nan 8.270 nan 0.000 0.462 506 F N 2.704 122.434 119.950 -0.366 0.000 2.538 506 F HA 0.209 4.736 4.527 -0.001 0.000 0.371 506 F C -1.296 174.376 175.800 -0.214 0.000 1.087 506 F CA -1.283 56.582 58.000 -0.225 0.000 1.250 506 F CB -0.003 38.989 39.000 -0.012 0.000 1.110 506 F HN 0.129 nan 8.300 nan 0.000 0.570 507 P HA 0.087 nan 4.420 nan 0.000 0.265 507 P C -0.511 176.801 177.300 0.020 0.000 1.193 507 P CA -0.112 62.967 63.100 -0.035 0.000 0.765 507 P CB 0.467 32.162 31.700 -0.008 0.000 0.823 508 A N 3.178 125.995 122.820 -0.004 0.000 2.455 508 A HA 0.488 4.807 4.320 -0.001 0.000 0.244 508 A C 1.198 178.794 177.584 0.021 0.000 1.099 508 A CA 0.913 52.953 52.037 0.005 0.000 0.786 508 A CB -1.070 17.925 19.000 -0.007 0.000 1.051 508 A HN 0.843 nan 8.150 nan 0.000 0.508 509 G N -0.107 108.707 108.800 0.024 0.000 2.496 509 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.243 509 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.243 509 G C 1.011 175.940 174.900 0.048 0.000 1.176 509 G CA 0.795 45.915 45.100 0.033 0.000 0.940 509 G HN 1.045 nan 8.290 nan 0.000 0.573 510 R N -0.213 120.323 120.500 0.060 0.000 2.091 510 R HA -0.091 4.248 4.340 -0.001 0.000 0.238 510 R C 2.810 179.168 176.300 0.096 0.000 1.136 510 R CA 2.748 58.894 56.100 0.078 0.000 0.959 510 R CB -0.886 29.463 30.300 0.082 0.000 0.856 510 R HN 0.622 nan 8.270 nan 0.000 0.437 511 T N 0.002 114.616 114.554 0.100 0.000 2.684 511 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 511 T C 1.923 176.676 174.700 0.089 0.000 1.036 511 T CA 1.808 63.982 62.100 0.124 0.000 1.148 511 T CB -0.171 68.789 68.868 0.154 0.000 0.863 511 T HN 0.277 nan 8.240 nan 0.000 0.436 512 S N 0.616 116.351 115.700 0.058 0.000 2.368 512 S HA -0.050 4.420 4.470 -0.001 0.000 0.224 512 S C 2.015 176.620 174.600 0.009 0.000 1.029 512 S CA 1.066 59.268 58.200 0.004 0.000 0.988 512 S CB -0.211 62.986 63.200 -0.005 0.000 0.838 512 S HN 0.505 nan 8.310 nan 0.000 0.462 513 K N 1.378 121.801 120.400 0.039 0.000 2.009 513 K HA -0.181 4.138 4.320 -0.001 0.000 0.210 513 K C 1.944 178.598 176.600 0.089 0.000 1.049 513 K CA 1.690 58.010 56.287 0.054 0.000 0.929 513 K CB -0.171 32.366 32.500 0.062 0.000 0.714 513 K HN 0.358 nan 8.250 nan 0.000 0.440 514 E N -0.177 120.104 120.200 0.134 0.000 2.110 514 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 514 E C 1.989 178.671 176.600 0.137 0.000 0.988 514 E CA 0.979 57.516 56.400 0.228 0.000 0.804 514 E CB -0.126 29.746 29.700 0.286 0.000 0.745 514 E HN 0.478 nan 8.360 nan 0.000 0.458 515 A N 1.323 124.193 122.820 0.083 0.000 1.902 515 A HA -0.245 4.075 4.320 -0.001 0.000 0.217 515 A C 2.078 179.724 177.584 0.104 0.000 1.181 515 A CA 1.766 53.843 52.037 0.067 0.000 0.623 515 A CB -0.349 18.648 19.000 -0.005 0.000 0.818 515 A HN 0.129 nan 8.150 nan 0.000 0.443 516 E N 0.465 120.704 120.200 0.065 0.000 2.107 516 E HA -0.135 4.214 4.350 -0.001 0.000 0.191 516 E C 1.299 177.876 176.600 -0.037 0.000 0.982 516 E CA 1.403 57.843 56.400 0.067 0.000 0.809 516 E CB -0.278 29.436 29.700 0.023 0.000 0.756 516 E HN 0.513 nan 8.360 nan 0.000 0.459 517 D N -0.084 120.292 120.400 -0.040 0.000 2.144 517 D HA -0.181 4.458 4.640 -0.001 0.000 0.199 517 D C 1.899 177.954 176.300 -0.409 0.000 0.984 517 D CA 1.137 55.100 54.000 -0.063 0.000 0.834 517 D CB -0.307 40.578 40.800 0.143 0.000 0.955 517 D HN 0.323 nan 8.370 nan 0.000 0.465 518 M N -0.265 118.869 119.600 -0.777 0.000 2.086 518 M HA -0.200 4.279 4.480 -0.001 0.000 0.261 518 M C 2.069 177.943 176.300 -0.709 0.000 1.067 518 M CA 1.227 55.712 55.300 -1.358 0.000 1.116 518 M CB -0.008 32.002 32.600 -0.983 0.000 1.348 518 M HN -0.044 nan 8.290 nan 0.000 0.407 519 M N 0.486 119.794 119.600 -0.487 0.000 2.073 519 M HA -0.181 4.298 4.480 -0.001 0.000 0.258 519 M C 1.822 177.905 176.300 -0.363 0.000 1.070 519 M CA 2.509 57.526 55.300 -0.472 0.000 1.103 519 M CB -1.044 31.345 32.600 -0.351 0.000 1.321 519 M HN 0.295 nan 8.290 nan 0.000 0.405 520 T N -0.035 114.375 114.554 -0.240 0.000 2.684 520 T HA -0.178 4.172 4.350 -0.001 0.000 0.267 520 T C 1.508 176.134 174.700 -0.123 0.000 1.036 520 T CA 1.845 63.860 62.100 -0.142 0.000 1.148 520 T CB -0.642 68.187 68.868 -0.064 0.000 0.863 520 T HN 0.545 nan 8.240 nan 0.000 0.436 521 D N 0.509 120.837 120.400 -0.119 0.000 2.149 521 D HA -0.089 4.550 4.640 -0.001 0.000 0.198 521 D C 2.046 178.335 176.300 -0.018 0.000 0.990 521 D CA 0.913 54.953 54.000 0.068 0.000 0.839 521 D CB -0.214 40.751 40.800 0.275 0.000 0.948 521 D HN 0.313 nan 8.370 nan 0.000 0.460 522 M N -0.590 118.749 119.600 -0.434 0.000 2.175 522 M HA -0.146 4.333 4.480 -0.001 0.000 0.264 522 M C 1.856 177.872 176.300 -0.474 0.000 1.063 522 M CA 1.230 56.025 55.300 -0.841 0.000 1.119 522 M CB -0.112 31.694 32.600 -1.322 0.000 1.377 522 M HN 0.186 nan 8.290 nan 0.000 0.415 523 C N -0.308 118.809 119.300 -0.305 0.000 2.429 523 C HA -0.091 4.368 4.460 -0.001 0.000 0.277 523 C C 2.668 177.567 174.990 -0.152 0.000 1.262 523 C CA 0.758 59.699 59.018 -0.128 0.000 1.733 523 C CB -0.925 26.788 27.740 -0.045 0.000 2.010 523 C HN 0.487 nan 8.230 nan 0.000 0.483 524 V N 0.502 120.358 119.914 -0.098 0.000 2.323 524 V HA -0.259 3.861 4.120 -0.001 0.000 0.244 524 V C 2.409 178.487 176.094 -0.026 0.000 1.041 524 V CA 2.150 64.425 62.300 -0.042 0.000 1.025 524 V CB -0.647 31.202 31.823 0.044 0.000 0.656 524 V HN 0.570 nan 8.190 nan 0.000 0.451 525 M N 0.749 120.377 119.600 0.048 0.000 2.099 525 M HA -0.170 4.310 4.480 -0.001 0.000 0.262 525 M C 2.470 178.667 176.300 -0.173 0.000 1.067 525 M CA 2.358 57.760 55.300 0.171 0.000 1.124 525 M CB -0.207 32.656 32.600 0.438 0.000 1.353 525 M HN 0.556 nan 8.290 nan 0.000 0.410 526 S N 0.453 115.721 115.700 -0.721 0.000 2.399 526 S HA -0.062 4.408 4.470 -0.001 0.000 0.231 526 S C 1.951 176.159 174.600 -0.653 0.000 1.022 526 S CA 0.989 58.338 58.200 -1.418 0.000 0.983 526 S CB -0.824 61.313 63.200 -1.773 0.000 0.803 526 S HN 0.572 nan 8.310 nan 0.000 0.480 527 A N 1.866 124.414 122.820 -0.454 0.000 2.121 527 A HA 0.032 4.351 4.320 -0.001 0.000 0.218 527 A C 2.128 179.593 177.584 -0.199 0.000 1.154 527 A CA 1.229 53.056 52.037 -0.350 0.000 0.679 527 A CB -0.514 18.303 19.000 -0.304 0.000 0.795 527 A HN 0.640 nan 8.150 nan 0.000 0.458 528 K N -0.622 119.706 120.400 -0.120 0.000 2.365 528 K HA 0.043 4.362 4.320 -0.001 0.000 0.199 528 K C 1.094 177.695 176.600 0.002 0.000 1.045 528 K CA 0.724 56.987 56.287 -0.039 0.000 0.962 528 K CB 0.035 32.550 32.500 0.025 0.000 0.759 528 K HN 0.409 nan 8.250 nan 0.000 0.469 529 I N -0.902 119.681 120.570 0.023 0.000 3.300 529 I HA 0.173 4.342 4.170 -0.001 0.000 0.279 529 I C 1.087 177.224 176.117 0.033 0.000 1.172 529 I CA 0.549 61.912 61.300 0.104 0.000 1.431 529 I CB 0.060 38.260 38.000 0.334 0.000 1.240 529 I HN 0.087 nan 8.210 nan 0.000 0.453 530 G N -0.545 108.220 108.800 -0.058 0.000 2.451 530 G HA2 0.482 4.441 3.960 -0.001 0.000 0.292 530 G HA3 0.482 4.441 3.960 -0.001 0.000 0.292 530 G C -0.731 174.024 174.900 -0.241 0.000 1.427 530 G CA -0.126 44.914 45.100 -0.099 0.000 0.792 530 G HN 0.274 nan 8.290 nan 0.000 0.498 531 G N -1.107 107.546 108.800 -0.245 0.000 2.537 531 G HA2 0.553 4.513 3.960 -0.001 0.000 0.273 531 G HA3 0.553 4.513 3.960 -0.001 0.000 0.273 531 G C -0.271 174.443 174.900 -0.310 0.000 1.189 531 G CA -0.551 44.306 45.100 -0.404 0.000 0.881 531 G HN 0.442 nan 8.290 nan 0.000 0.535 532 F N -0.687 119.168 119.950 -0.158 0.000 2.563 532 F HA 0.192 4.718 4.527 -0.001 0.000 0.363 532 F C 0.716 176.454 175.800 -0.103 0.000 1.123 532 F CA -0.702 57.201 58.000 -0.162 0.000 1.307 532 F CB 0.591 39.483 39.000 -0.180 0.000 1.115 532 F HN 0.182 nan 8.300 nan 0.000 0.592 533 L N 5.979 127.272 121.223 0.116 0.000 2.313 533 L HA 0.431 4.771 4.340 -0.001 0.000 0.282 533 L C -2.431 174.468 176.870 0.047 0.000 1.092 533 L CA -1.876 53.000 54.840 0.060 0.000 0.831 533 L CB 0.165 42.252 42.059 0.047 0.000 1.159 533 L HN 0.275 nan 8.230 nan 0.000 0.442 534 P HA 0.207 nan 4.420 nan 0.000 0.265 534 P C 0.639 177.950 177.300 0.019 0.000 1.193 534 P CA 0.967 64.082 63.100 0.026 0.000 0.765 534 P CB 0.736 32.450 31.700 0.022 0.000 0.823 535 G N 2.010 110.814 108.800 0.007 0.000 2.225 535 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.254 535 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.254 535 G C 0.409 175.326 174.900 0.029 0.000 0.988 535 G CA 0.260 45.371 45.100 0.019 0.000 0.625 535 G HN 0.531 nan 8.290 nan 0.000 0.527 536 S N 0.893 116.591 115.700 -0.002 0.000 2.474 536 S HA 0.540 5.009 4.470 -0.001 0.000 0.224 536 S C 0.393 174.868 174.600 -0.208 0.000 1.209 536 S CA -0.567 57.608 58.200 -0.042 0.000 1.212 536 S CB 0.385 63.569 63.200 -0.025 0.000 1.137 536 S HN 0.475 nan 8.310 nan 0.000 0.446 537 L N 2.390 123.482 121.223 -0.219 0.000 2.464 537 L HA 0.347 4.686 4.340 -0.001 0.000 0.264 537 L C -2.088 174.457 176.870 -0.542 0.000 1.199 537 L CA -2.204 52.380 54.840 -0.425 0.000 0.818 537 L CB -0.041 41.839 42.059 -0.298 0.000 1.102 537 L HN 0.077 nan 8.230 nan 0.000 0.473 538 P HA 0.021 nan 4.420 nan 0.000 0.267 538 P C -1.408 175.628 177.300 -0.440 0.000 1.209 538 P CA 0.085 62.770 63.100 -0.691 0.000 0.763 538 P CB 0.472 31.662 31.700 -0.850 0.000 0.816 539 Q N 1.797 121.377 119.800 -0.366 0.000 2.435 539 Q HA 0.487 4.826 4.340 -0.001 0.000 0.282 539 Q C -1.409 174.406 176.000 -0.309 0.000 1.020 539 Q CA -0.896 54.764 55.803 -0.238 0.000 0.820 539 Q CB 0.801 29.465 28.738 -0.124 0.000 1.436 539 Q HN 0.097 nan 8.270 nan 0.000 0.395 540 F N 1.501 121.350 119.950 -0.167 0.000 2.412 540 F HA 0.302 4.828 4.527 -0.001 0.000 0.348 540 F C 0.575 176.276 175.800 -0.164 0.000 1.102 540 F CA -0.342 57.554 58.000 -0.173 0.000 1.196 540 F CB 0.993 39.891 39.000 -0.170 0.000 1.144 540 F HN 0.392 nan 8.300 nan 0.000 0.541 541 M N 1.756 121.318 119.600 -0.063 0.000 2.247 541 M HA 0.122 4.601 4.480 -0.001 0.000 0.326 541 M C 0.261 176.510 176.300 -0.084 0.000 1.134 541 M CA -0.481 54.714 55.300 -0.175 0.000 1.136 541 M CB 0.488 32.866 32.600 -0.370 0.000 1.454 541 M HN 0.575 nan 8.290 nan 0.000 0.467 542 E N 2.822 122.948 120.200 -0.123 0.000 2.608 542 E HA -0.028 4.321 4.350 -0.001 0.000 0.259 542 E C -2.134 174.437 176.600 -0.048 0.000 0.951 542 E CA -1.115 55.240 56.400 -0.073 0.000 0.945 542 E CB 0.320 29.958 29.700 -0.103 0.000 0.916 542 E HN 0.200 nan 8.360 nan 0.000 0.477 543 P HA 0.005 nan 4.420 nan 0.000 0.263 543 P C 0.328 177.537 177.300 -0.152 0.000 1.195 543 P CA 1.138 64.248 63.100 0.017 0.000 0.762 543 P CB 0.625 32.340 31.700 0.025 0.000 0.799 544 G N 2.692 111.403 108.800 -0.150 0.000 2.217 544 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.246 544 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.246 544 G C 0.747 175.591 174.900 -0.094 0.000 0.990 544 G CA 0.207 45.188 45.100 -0.198 0.000 0.627 544 G HN 0.539 nan 8.290 nan 0.000 0.522 545 L N 1.137 122.311 121.223 -0.082 0.000 2.187 545 L HA 0.173 4.512 4.340 -0.001 0.000 0.213 545 L C 2.748 179.627 176.870 0.015 0.000 1.100 545 L CA 2.540 57.349 54.840 -0.051 0.000 0.765 545 L CB -0.335 41.634 42.059 -0.149 0.000 0.904 545 L HN 0.505 nan 8.230 nan 0.000 0.437 546 V N -0.101 119.805 119.914 -0.014 0.000 2.720 546 V HA -0.160 3.959 4.120 -0.001 0.000 0.256 546 V C 1.586 177.655 176.094 -0.042 0.000 1.082 546 V CA 1.196 63.486 62.300 -0.016 0.000 1.101 546 V CB -0.359 31.454 31.823 -0.017 0.000 0.693 546 V HN 0.516 nan 8.190 nan 0.000 0.479 547 L N -0.023 121.235 121.223 0.058 0.000 3.634 547 L HA -0.252 4.088 4.340 -0.001 0.000 0.423 547 L C 0.354 177.435 176.870 0.352 0.000 1.253 547 L CA 0.918 55.860 54.840 0.170 0.000 0.885 547 L CB -2.571 39.624 42.059 0.227 0.000 1.789 547 L HN 0.566 nan 8.230 nan 0.000 0.904 548 H N -0.785 118.408 119.070 0.206 0.000 2.467 548 H HA 0.287 4.843 4.556 -0.001 0.000 0.275 548 H C 0.548 176.022 175.328 0.245 0.000 1.131 548 H CA -1.080 55.127 56.048 0.266 0.000 0.989 548 H CB 0.712 30.671 29.762 0.329 0.000 1.696 548 H HN 0.197 nan 8.280 nan 0.000 0.574 549 L N 1.923 123.302 121.223 0.260 0.000 2.540 549 L HA 0.184 4.523 4.340 -0.001 0.000 0.276 549 L C 0.621 177.633 176.870 0.237 0.000 1.212 549 L CA 0.792 55.733 54.840 0.168 0.000 0.893 549 L CB 0.348 42.467 42.059 0.100 0.000 1.138 549 L HN 0.287 nan 8.230 nan 0.000 0.491 550 G N 1.814 110.764 108.800 0.250 0.000 2.733 550 G HA2 0.536 4.496 3.960 -0.001 0.000 0.288 550 G HA3 0.536 4.496 3.960 -0.001 0.000 0.288 550 G C 0.309 175.318 174.900 0.181 0.000 1.373 550 G CA -0.308 44.952 45.100 0.266 0.000 0.895 550 G HN 1.318 nan 8.290 nan 0.000 0.479 551 G N -1.264 107.609 108.800 0.120 0.000 2.162 551 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.260 551 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.260 551 G C 1.369 176.334 174.900 0.108 0.000 0.976 551 G CA 1.621 46.797 45.100 0.127 0.000 0.655 551 G HN 1.893 nan 8.290 nan 0.000 0.533 552 T N -1.969 112.604 114.554 0.031 0.000 2.962 552 T HA 0.108 4.457 4.350 -0.001 0.000 0.270 552 T C 1.075 175.855 174.700 0.133 0.000 1.088 552 T CA 1.885 64.040 62.100 0.092 0.000 1.127 552 T CB -0.307 68.626 68.868 0.108 0.000 0.883 552 T HN 1.514 nan 8.240 nan 0.000 0.493 553 H N -0.278 118.868 119.070 0.126 0.000 2.823 553 H HA 0.448 5.003 4.556 -0.001 0.000 0.222 553 H C -0.119 175.252 175.328 0.072 0.000 1.414 553 H CA -1.346 54.751 56.048 0.080 0.000 1.289 553 H CB -0.373 29.402 29.762 0.021 0.000 1.970 553 H HN 0.348 nan 8.280 nan 0.000 0.517 554 R N 0.699 121.282 120.500 0.139 0.000 2.641 554 R HA 0.280 4.619 4.340 -0.001 0.000 0.269 554 R C -0.333 176.027 176.300 0.101 0.000 1.074 554 R CA -0.677 55.480 56.100 0.095 0.000 1.133 554 R CB 0.966 31.318 30.300 0.085 0.000 1.029 554 R HN 0.472 nan 8.270 nan 0.000 0.488 555 M N 1.571 121.206 119.600 0.058 0.000 2.249 555 M HA 0.420 4.899 4.480 -0.001 0.000 0.351 555 M C -0.486 175.811 176.300 -0.005 0.000 1.180 555 M CA 0.259 55.568 55.300 0.016 0.000 1.127 555 M CB 1.476 34.059 32.600 -0.029 0.000 1.546 555 M HN 0.954 nan 8.290 nan 0.000 0.461 556 G N 2.207 111.018 108.800 0.018 0.000 2.606 556 G HA2 0.423 4.382 3.960 -0.001 0.000 0.300 556 G HA3 0.423 4.382 3.960 -0.001 0.000 0.300 556 G C -0.860 174.038 174.900 -0.004 0.000 1.360 556 G CA -0.669 44.387 45.100 -0.074 0.000 0.783 556 G HN 0.669 nan 8.290 nan 0.000 0.484 557 F N -0.054 119.994 119.950 0.163 0.000 2.234 557 F HA 0.242 4.768 4.527 -0.001 0.000 0.296 557 F C 1.112 177.029 175.800 0.195 0.000 1.089 557 F CA 1.096 59.195 58.000 0.165 0.000 1.343 557 F CB 0.338 39.393 39.000 0.091 0.000 1.040 557 F HN 0.375 nan 8.300 nan 0.000 0.498 558 D N -1.052 119.492 120.400 0.240 0.000 2.757 558 D HA 0.129 4.769 4.640 -0.001 0.000 0.249 558 D C 0.725 176.839 176.300 -0.310 0.000 1.168 558 D CA -0.246 53.732 54.000 -0.037 0.000 0.870 558 D CB 1.304 42.111 40.800 0.012 0.000 1.411 558 D HN 0.081 nan 8.370 nan 0.000 0.525 559 E N 2.839 122.517 120.200 -0.871 0.000 2.070 559 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 559 E C 1.007 177.428 176.600 -0.297 0.000 1.004 559 E CA 1.391 57.276 56.400 -0.858 0.000 0.805 559 E CB 0.319 29.425 29.700 -0.990 0.000 0.744 559 E HN 0.394 nan 8.360 nan 0.000 0.451 560 K N -0.134 120.139 120.400 -0.211 0.000 2.067 560 K HA -0.069 4.251 4.320 -0.001 0.000 0.203 560 K C 2.208 178.776 176.600 -0.054 0.000 1.048 560 K CA 1.193 57.424 56.287 -0.093 0.000 0.954 560 K CB -0.007 32.452 32.500 -0.068 0.000 0.737 560 K HN 0.171 nan 8.250 nan 0.000 0.444 561 E N 0.765 120.936 120.200 -0.048 0.000 2.106 561 E HA -0.124 4.225 4.350 -0.001 0.000 0.192 561 E C 0.800 177.395 176.600 -0.008 0.000 0.984 561 E CA 0.880 57.273 56.400 -0.011 0.000 0.806 561 E CB 0.136 29.842 29.700 0.009 0.000 0.750 561 E HN 0.254 nan 8.360 nan 0.000 0.458 562 D N 0.228 120.616 120.400 -0.019 0.000 2.363 562 D HA 0.054 4.694 4.640 -0.001 0.000 0.214 562 D C -0.649 175.588 176.300 -0.106 0.000 1.093 562 D CA -0.016 53.968 54.000 -0.027 0.000 0.837 562 D CB 0.057 40.877 40.800 0.032 0.000 0.948 562 D HN 0.087 nan 8.370 nan 0.000 0.507 563 N N 0.721 119.357 118.700 -0.108 0.000 2.667 563 N HA -0.189 4.551 4.740 -0.001 0.000 0.263 563 N C -0.203 175.244 175.510 -0.105 0.000 1.038 563 N CA 0.494 53.465 53.050 -0.132 0.000 0.749 563 N CB -1.365 36.918 38.487 -0.340 0.000 0.892 563 N HN 0.413 nan 8.380 nan 0.000 0.546 564 C N -3.193 116.112 119.300 0.008 0.000 3.318 564 C HA 0.787 5.247 4.460 -0.001 0.000 0.329 564 C C 1.327 176.480 174.990 0.272 0.000 1.449 564 C CA -0.610 58.482 59.018 0.124 0.000 1.397 564 C CB 1.595 29.423 27.740 0.146 0.000 1.810 564 C HN 0.502 nan 8.230 nan 0.000 0.449 565 C N 0.166 119.662 119.300 0.326 0.000 3.095 565 C HA 0.491 4.951 4.460 -0.001 0.000 0.472 565 C C 0.653 175.741 174.990 0.164 0.000 1.348 565 C CA 0.653 59.857 59.018 0.310 0.000 2.206 565 C CB -0.238 27.608 27.740 0.176 0.000 3.088 565 C HN 0.965 nan 8.230 nan 0.000 0.599 566 V N 1.483 121.387 119.914 -0.017 0.000 2.914 566 V HA 0.717 4.837 4.120 -0.001 0.000 0.314 566 V C -0.688 175.081 176.094 -0.541 0.000 1.084 566 V CA -0.615 61.433 62.300 -0.419 0.000 0.963 566 V CB 1.515 33.206 31.823 -0.219 0.000 1.025 566 V HN 0.426 nan 8.190 nan 0.000 0.432 567 N N 1.038 119.256 118.700 -0.803 0.000 2.431 567 N HA 0.263 5.002 4.740 -0.001 0.000 0.289 567 N C 0.999 176.376 175.510 -0.223 0.000 1.277 567 N CA 0.235 53.045 53.050 -0.400 0.000 0.972 567 N CB -0.169 38.102 38.487 -0.359 0.000 1.143 567 N HN 0.918 nan 8.380 nan 0.000 0.578 568 T N -4.841 109.623 114.554 -0.150 0.000 3.160 568 T HA 0.054 4.403 4.350 -0.001 0.000 0.257 568 T C 0.033 174.660 174.700 -0.122 0.000 1.147 568 T CA 0.423 62.432 62.100 -0.151 0.000 1.064 568 T CB -0.386 68.403 68.868 -0.131 0.000 0.949 568 T HN 0.419 nan 8.240 nan 0.000 0.526 569 D N 1.232 121.554 120.400 -0.130 0.000 2.328 569 D HA 0.166 4.805 4.640 -0.001 0.000 0.221 569 D C 0.582 176.884 176.300 0.003 0.000 1.072 569 D CA 0.118 54.060 54.000 -0.097 0.000 0.850 569 D CB 0.078 40.716 40.800 -0.270 0.000 0.922 569 D HN 0.345 nan 8.370 nan 0.000 0.516 570 S N 0.244 115.914 115.700 -0.050 0.000 3.561 570 S HA -0.262 4.208 4.470 -0.001 0.000 0.318 570 S C 0.548 175.136 174.600 -0.020 0.000 1.181 570 S CA 0.448 58.652 58.200 0.006 0.000 0.916 570 S CB -1.422 61.857 63.200 0.133 0.000 0.966 570 S HN 0.466 nan 8.310 nan 0.000 0.550 571 R N 1.086 121.443 120.500 -0.238 0.000 2.297 571 R HA 0.462 4.802 4.340 -0.001 0.000 0.308 571 R C -0.026 175.948 176.300 -0.542 0.000 1.029 571 R CA -0.445 55.309 56.100 -0.577 0.000 0.929 571 R CB 0.693 30.614 30.300 -0.632 0.000 1.046 571 R HN 0.142 nan 8.270 nan 0.000 0.461 572 V N 6.212 125.837 119.914 -0.481 0.000 2.529 572 V HA -0.010 4.109 4.120 -0.001 0.000 0.292 572 V C 0.169 176.176 176.094 -0.146 0.000 1.028 572 V CA 0.291 62.392 62.300 -0.332 0.000 1.074 572 V CB -0.152 31.449 31.823 -0.370 0.000 0.958 572 V HN 0.561 nan 8.190 nan 0.000 0.481 573 F N 3.830 123.804 119.950 0.041 0.000 2.623 573 F HA 0.382 4.909 4.527 -0.001 0.000 0.383 573 F C 1.590 177.521 175.800 0.218 0.000 1.077 573 F CA 1.514 59.571 58.000 0.095 0.000 1.268 573 F CB -0.029 39.021 39.000 0.084 0.000 1.053 573 F HN 0.787 nan 8.300 nan 0.000 0.571 574 G N 2.040 111.031 108.800 0.318 0.000 2.225 574 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.254 574 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.254 574 G C -0.155 174.680 174.900 -0.109 0.000 0.988 574 G CA -0.407 44.767 45.100 0.123 0.000 0.625 574 G HN 0.438 nan 8.290 nan 0.000 0.527 575 F N 0.825 120.800 119.950 0.041 0.000 2.458 575 F HA 0.586 5.112 4.527 -0.001 0.000 0.336 575 F C 1.383 177.171 175.800 -0.020 0.000 1.114 575 F CA -0.880 57.132 58.000 0.019 0.000 0.987 575 F CB 1.754 40.763 39.000 0.015 0.000 1.130 575 F HN -0.136 nan 8.300 nan 0.000 0.458 576 K N 1.176 121.677 120.400 0.169 0.000 2.155 576 K HA -0.075 4.244 4.320 -0.001 0.000 0.203 576 K C 0.740 177.548 176.600 0.346 0.000 1.052 576 K CA 1.263 57.691 56.287 0.234 0.000 0.948 576 K CB 0.031 32.678 32.500 0.246 0.000 0.728 576 K HN 0.583 nan 8.250 nan 0.000 0.448 577 N N 0.149 119.013 118.700 0.273 0.000 2.305 577 N HA 0.042 4.781 4.740 -0.001 0.000 0.248 577 N C -0.825 174.785 175.510 0.167 0.000 1.290 577 N CA -0.294 52.956 53.050 0.332 0.000 0.873 577 N CB 0.185 38.913 38.487 0.402 0.000 1.261 577 N HN -0.039 nan 8.380 nan 0.000 0.504 578 L N 0.713 121.810 121.223 -0.210 0.000 2.349 578 L HA 0.697 5.036 4.340 -0.001 0.000 0.278 578 L C -1.861 174.605 176.870 -0.673 0.000 0.996 578 L CA -0.614 54.075 54.840 -0.252 0.000 0.825 578 L CB 0.916 42.833 42.059 -0.236 0.000 1.243 578 L HN -0.032 nan 8.230 nan 0.000 0.412 579 F N 4.993 124.863 119.950 -0.134 0.000 2.565 579 F HA 0.650 5.177 4.527 -0.001 0.000 0.313 579 F C -0.608 175.046 175.800 -0.244 0.000 1.091 579 F CA -0.702 57.200 58.000 -0.162 0.000 0.915 579 F CB 1.825 40.764 39.000 -0.102 0.000 1.208 579 F HN 0.187 nan 8.300 nan 0.000 0.453 580 L N 2.086 123.264 121.223 -0.074 0.000 2.329 580 L HA 0.891 5.230 4.340 -0.001 0.000 0.279 580 L C 0.116 176.994 176.870 0.014 0.000 1.014 580 L CA -0.848 53.881 54.840 -0.186 0.000 0.814 580 L CB 1.848 43.635 42.059 -0.453 0.000 1.257 580 L HN 0.788 nan 8.230 nan 0.000 0.424 581 G N 0.418 109.239 108.800 0.035 0.000 2.495 581 G HA2 0.782 4.741 3.960 -0.001 0.000 0.318 581 G HA3 0.782 4.741 3.960 -0.001 0.000 0.318 581 G C -0.482 174.541 174.900 0.204 0.000 1.257 581 G CA -0.270 44.958 45.100 0.212 0.000 0.962 581 G HN 0.965 nan 8.290 nan 0.000 0.483 582 G N -0.966 107.953 108.800 0.199 0.000 2.359 582 G HA2 0.093 4.052 3.960 -0.001 0.000 0.303 582 G HA3 0.093 4.052 3.960 -0.001 0.000 0.303 582 G C 0.695 175.654 174.900 0.099 0.000 1.293 582 G CA 0.079 45.270 45.100 0.153 0.000 0.964 582 G HN 1.090 nan 8.290 nan 0.000 0.531 583 C N 0.607 119.942 119.300 0.057 0.000 2.419 583 C HA 0.212 4.672 4.460 -0.001 0.000 0.283 583 C C 3.008 177.979 174.990 -0.031 0.000 1.373 583 C CA 1.710 60.740 59.018 0.019 0.000 1.781 583 C CB -1.299 26.486 27.740 0.075 0.000 1.886 583 C HN 1.225 nan 8.230 nan 0.000 0.520 584 G N 1.311 110.006 108.800 -0.176 0.000 2.479 584 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.220 584 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.220 584 G C 1.423 175.960 174.900 -0.605 0.000 1.115 584 G CA 0.759 45.475 45.100 -0.640 0.000 0.757 584 G HN 0.559 nan 8.290 nan 0.000 0.560 585 N N 0.333 118.908 118.700 -0.209 0.000 2.396 585 N HA 0.019 4.759 4.740 -0.001 0.000 0.180 585 N C 0.874 176.398 175.510 0.024 0.000 1.028 585 N CA 0.180 53.250 53.050 0.033 0.000 0.893 585 N CB 0.072 38.624 38.487 0.109 0.000 0.967 585 N HN 0.305 nan 8.380 nan 0.000 0.440 586 I N 3.101 123.682 120.570 0.017 0.000 2.505 586 I HA 0.036 4.206 4.170 -0.001 0.000 0.287 586 I C -1.333 174.866 176.117 0.137 0.000 1.104 586 I CA -1.026 60.308 61.300 0.057 0.000 1.387 586 I CB 1.281 39.258 38.000 -0.039 0.000 1.404 586 I HN -0.068 nan 8.210 nan 0.000 0.528 587 P HA 0.067 nan 4.420 nan 0.000 0.267 587 P C 0.199 177.588 177.300 0.150 0.000 1.289 587 P CA 0.194 63.365 63.100 0.119 0.000 0.866 587 P CB 0.203 31.933 31.700 0.051 0.000 1.309 588 T N -2.112 112.562 114.554 0.200 0.000 2.897 588 T HA 0.678 5.028 4.350 -0.001 0.000 0.278 588 T C 0.218 175.058 174.700 0.233 0.000 0.981 588 T CA -0.877 61.329 62.100 0.177 0.000 0.973 588 T CB 1.153 70.105 68.868 0.139 0.000 1.092 588 T HN 0.053 nan 8.240 nan 0.000 0.543 589 A N 1.784 124.679 122.820 0.125 0.000 2.350 589 A HA 0.582 4.902 4.320 -0.001 0.000 0.293 589 A C -0.606 176.960 177.584 -0.029 0.000 1.231 589 A CA -0.816 51.249 52.037 0.047 0.000 0.883 589 A CB -0.976 18.063 19.000 0.065 0.000 1.133 589 A HN 0.841 nan 8.150 nan 0.000 0.533 590 Y N -0.076 120.143 120.300 -0.135 0.000 2.446 590 Y HA 0.712 5.262 4.550 -0.001 0.000 0.345 590 Y C 0.749 176.540 175.900 -0.182 0.000 0.984 590 Y CA -0.823 57.012 58.100 -0.441 0.000 1.058 590 Y CB 1.427 39.416 38.460 -0.786 0.000 1.220 590 Y HN 0.367 nan 8.280 nan 0.000 0.455 591 G N 0.846 109.573 108.800 -0.121 0.000 2.673 591 G HA2 0.375 4.335 3.960 -0.001 0.000 0.208 591 G HA3 0.375 4.335 3.960 -0.001 0.000 0.208 591 G C 0.496 175.491 174.900 0.158 0.000 1.128 591 G CA 0.205 45.423 45.100 0.197 0.000 0.805 591 G HN 0.958 nan 8.290 nan 0.000 0.526 592 A N 0.694 123.432 122.820 -0.137 0.000 2.327 592 A HA 0.482 4.802 4.320 -0.001 0.000 0.255 592 A C -0.108 177.408 177.584 -0.113 0.000 1.099 592 A CA -0.454 51.385 52.037 -0.330 0.000 0.801 592 A CB 0.052 18.859 19.000 -0.322 0.000 1.062 592 A HN 0.348 nan 8.150 nan 0.000 0.496 593 N N 1.539 120.060 118.700 -0.297 0.000 2.475 593 N HA 0.274 5.013 4.740 -0.001 0.000 0.267 593 N C -2.046 173.409 175.510 -0.091 0.000 1.169 593 N CA -1.068 51.800 53.050 -0.303 0.000 0.947 593 N CB 0.587 38.968 38.487 -0.175 0.000 1.061 593 N HN 0.403 nan 8.380 nan 0.000 0.466 594 P HA -0.022 nan 4.420 nan 0.000 0.240 594 P C 0.453 177.673 177.300 -0.135 0.000 1.190 594 P CA 0.700 63.724 63.100 -0.127 0.000 0.781 594 P CB 0.334 31.939 31.700 -0.159 0.000 0.931 595 T N 0.863 115.410 114.554 -0.012 0.000 2.777 595 T HA -0.116 4.234 4.350 -0.001 0.000 0.266 595 T C 1.773 176.571 174.700 0.164 0.000 1.040 595 T CA 0.885 63.033 62.100 0.080 0.000 1.141 595 T CB -0.769 68.167 68.868 0.113 0.000 0.868 595 T HN 0.024 nan 8.240 nan 0.000 0.444 596 L N 1.063 122.397 121.223 0.185 0.000 2.083 596 L HA -0.090 4.249 4.340 -0.001 0.000 0.209 596 L C 2.497 179.451 176.870 0.140 0.000 1.083 596 L CA 1.695 56.694 54.840 0.265 0.000 0.752 596 L CB -0.969 41.226 42.059 0.226 0.000 0.899 596 L HN 0.181 nan 8.230 nan 0.000 0.433 597 T N -0.418 114.087 114.554 -0.083 0.000 2.777 597 T HA -0.133 4.216 4.350 -0.001 0.000 0.266 597 T C 1.913 176.534 174.700 -0.133 0.000 1.040 597 T CA 1.221 63.180 62.100 -0.235 0.000 1.141 597 T CB -0.474 67.840 68.868 -0.923 0.000 0.868 597 T HN 0.520 nan 8.240 nan 0.000 0.444 598 A N 1.528 124.280 122.820 -0.113 0.000 1.940 598 A HA -0.090 4.229 4.320 -0.001 0.000 0.219 598 A C 2.305 179.866 177.584 -0.038 0.000 1.176 598 A CA 1.861 53.870 52.037 -0.046 0.000 0.631 598 A CB -0.729 18.265 19.000 -0.009 0.000 0.814 598 A HN 0.535 nan 8.150 nan 0.000 0.446 599 M N -0.391 119.197 119.600 -0.020 0.000 2.132 599 M HA -0.130 4.349 4.480 -0.001 0.000 0.263 599 M C 2.103 178.322 176.300 -0.134 0.000 1.065 599 M CA 2.042 57.301 55.300 -0.068 0.000 1.122 599 M CB -0.141 32.424 32.600 -0.058 0.000 1.365 599 M HN 0.372 nan 8.290 nan 0.000 0.411 600 S N 1.218 116.839 115.700 -0.132 0.000 2.368 600 S HA -0.118 4.351 4.470 -0.001 0.000 0.225 600 S C 1.747 176.166 174.600 -0.301 0.000 1.030 600 S CA 1.407 59.463 58.200 -0.241 0.000 0.999 600 S CB -0.546 62.464 63.200 -0.317 0.000 0.844 600 S HN 0.519 nan 8.310 nan 0.000 0.459 601 L N 1.093 122.177 121.223 -0.232 0.000 2.079 601 L HA -0.159 4.180 4.340 -0.001 0.000 0.210 601 L C 2.747 179.490 176.870 -0.211 0.000 1.081 601 L CA 1.233 55.942 54.840 -0.219 0.000 0.752 601 L CB -0.686 41.308 42.059 -0.108 0.000 0.896 601 L HN 0.329 nan 8.230 nan 0.000 0.433 602 A N 0.160 122.845 122.820 -0.225 0.000 1.929 602 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 602 A C 2.218 179.482 177.584 -0.533 0.000 1.176 602 A CA 1.197 52.984 52.037 -0.417 0.000 0.628 602 A CB -0.543 18.215 19.000 -0.403 0.000 0.816 602 A HN 0.332 nan 8.150 nan 0.000 0.444 603 I N -0.424 119.930 120.570 -0.360 0.000 2.226 603 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 603 I C 2.537 178.491 176.117 -0.271 0.000 1.100 603 I CA 1.868 62.989 61.300 -0.299 0.000 1.374 603 I CB -0.190 37.653 38.000 -0.261 0.000 1.057 603 I HN 0.362 nan 8.210 nan 0.000 0.413 604 K N 0.402 120.641 120.400 -0.268 0.000 2.057 604 K HA -0.199 4.121 4.320 -0.001 0.000 0.206 604 K C 2.363 178.877 176.600 -0.144 0.000 1.050 604 K CA 1.654 57.811 56.287 -0.215 0.000 0.935 604 K CB -0.087 32.252 32.500 -0.268 0.000 0.715 604 K HN 0.125 nan 8.250 nan 0.000 0.439 605 S N 0.107 115.706 115.700 -0.168 0.000 2.359 605 S HA -0.172 4.297 4.470 -0.001 0.000 0.224 605 S C 2.060 176.570 174.600 -0.150 0.000 1.035 605 S CA 1.500 59.644 58.200 -0.093 0.000 1.018 605 S CB -0.483 62.699 63.200 -0.031 0.000 0.876 605 S HN 0.568 nan 8.310 nan 0.000 0.448 606 C N 1.530 120.653 119.300 -0.297 0.000 2.422 606 C HA -0.019 4.440 4.460 -0.001 0.000 0.279 606 C C 2.479 177.379 174.990 -0.149 0.000 1.305 606 C CA 0.797 59.655 59.018 -0.266 0.000 1.757 606 C CB -1.542 26.003 27.740 -0.325 0.000 1.962 606 C HN 0.683 nan 8.230 nan 0.000 0.499 607 E N -0.527 119.610 120.200 -0.105 0.000 2.085 607 E HA -0.275 4.074 4.350 -0.001 0.000 0.194 607 E C 1.843 178.444 176.600 0.001 0.000 0.994 607 E CA 1.650 58.021 56.400 -0.049 0.000 0.801 607 E CB -0.338 29.332 29.700 -0.050 0.000 0.743 607 E HN 0.830 nan 8.360 nan 0.000 0.453 608 Y N 1.167 121.430 120.300 -0.062 0.000 2.181 608 Y HA -0.212 4.338 4.550 -0.001 0.000 0.288 608 Y C 1.974 177.896 175.900 0.037 0.000 1.146 608 Y CA 1.491 59.597 58.100 0.009 0.000 1.164 608 Y CB -0.061 38.445 38.460 0.076 0.000 0.982 608 Y HN -0.045 nan 8.280 nan 0.000 0.515 609 I N 0.206 120.798 120.570 0.036 0.000 2.226 609 I HA -0.329 3.841 4.170 -0.001 0.000 0.245 609 I C 2.272 178.406 176.117 0.028 0.000 1.100 609 I CA 1.625 62.928 61.300 0.005 0.000 1.374 609 I CB -0.414 37.386 38.000 -0.334 0.000 1.057 609 I HN 0.170 nan 8.210 nan 0.000 0.413 610 K N 0.290 120.662 120.400 -0.046 0.000 2.147 610 K HA -0.171 4.148 4.320 -0.001 0.000 0.205 610 K C 2.029 178.652 176.600 0.039 0.000 1.049 610 K CA 0.951 57.277 56.287 0.066 0.000 0.936 610 K CB -0.085 32.446 32.500 0.052 0.000 0.722 610 K HN 0.364 nan 8.250 nan 0.000 0.446 611 Q N 0.043 119.795 119.800 -0.080 0.000 2.378 611 Q HA 0.004 4.344 4.340 -0.001 0.000 0.205 611 Q C 1.019 176.889 176.000 -0.217 0.000 0.954 611 Q CA 0.812 56.531 55.803 -0.140 0.000 0.901 611 Q CB 0.253 28.886 28.738 -0.175 0.000 0.981 611 Q HN 0.391 nan 8.270 nan 0.000 0.483 612 N N -1.203 117.328 118.700 -0.281 0.000 2.193 612 N HA 0.143 4.882 4.740 -0.001 0.000 0.210 612 N C -0.618 174.500 175.510 -0.653 0.000 1.215 612 N CA 0.178 52.918 53.050 -0.516 0.000 0.901 612 N CB 0.970 38.973 38.487 -0.806 0.000 1.060 612 N HN 0.009 nan 8.380 nan 0.000 0.508 613 F N 0.229 120.195 119.950 0.028 0.000 2.599 613 F HA 0.421 4.947 4.527 -0.001 0.000 0.311 613 F C 0.019 175.967 175.800 0.246 0.000 1.076 613 F CA -0.623 57.456 58.000 0.132 0.000 0.937 613 F CB 2.055 41.136 39.000 0.136 0.000 1.282 613 F HN -0.401 nan 8.300 nan 0.000 0.460 614 T N 2.175 116.950 114.554 0.369 0.000 2.876 614 T HA 0.491 4.840 4.350 -0.001 0.000 0.289 614 T C -2.771 171.929 174.700 0.000 0.000 1.014 614 T CA -1.563 60.620 62.100 0.139 0.000 0.986 614 T CB 2.010 70.906 68.868 0.047 0.000 1.021 614 T HN 0.114 nan 8.240 nan 0.000 0.458 615 P HA 0.154 nan 4.420 nan 0.000 0.267 615 P C -0.134 177.106 177.300 -0.101 0.000 1.200 615 P CA -0.372 62.514 63.100 -0.357 0.000 0.772 615 P CB 0.296 31.696 31.700 -0.501 0.000 0.855 616 S N 2.637 118.321 115.700 -0.027 0.000 2.593 616 S HA 0.336 4.805 4.470 -0.001 0.000 0.269 616 S C -2.260 172.338 174.600 -0.003 0.000 1.334 616 S CA -1.102 57.095 58.200 -0.005 0.000 1.015 616 S CB -0.756 62.444 63.200 -0.001 0.000 0.912 616 S HN 0.244 nan 8.310 nan 0.000 0.541 617 P HA 0.125 nan 4.420 nan 0.000 0.264 617 P C -0.614 176.722 177.300 0.061 0.000 1.193 617 P CA -0.211 62.912 63.100 0.038 0.000 0.763 617 P CB -0.019 31.695 31.700 0.024 0.000 0.810 618 F N 3.454 123.386 119.950 -0.030 0.000 2.541 618 F HA 0.214 4.741 4.527 -0.001 0.000 0.378 618 F C 0.714 176.504 175.800 -0.017 0.000 1.068 618 F CA 0.857 58.845 58.000 -0.021 0.000 1.199 618 F CB 0.354 39.343 39.000 -0.019 0.000 1.091 618 F HN 0.186 nan 8.300 nan 0.000 0.555 619 T N 0.000 114.291 114.554 -0.438 0.000 3.816 619 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 619 T CA 0.000 61.954 62.100 -0.243 0.000 1.349 619 T CB 0.000 68.767 68.868 -0.169 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658