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 1o1a_1_P DATA FIRST_RESID 4 DATA SEQUENCE DAEMAAFGEA APYLRXSEKE RIEAQNXPFD AXSSVFVVHP KQSFVXGTIQ DATA SEQUENCE SXEGGXVTVX TEGGETLTVK EDQVFSMNPP XYDXIEDMAM MTHLHEPAVL DATA SEQUENCE YNLXERYAAW MIYTYSGLFC VTVNPYXWLP VYNPXVVLAY RGKKRQEAPP DATA SEQUENCE HIFSISDNAY QFMLTDRENQ SILITGESGA GKTVNTXRVI QYFATIAASG DATA SEQUENCE EKKKEEQSGK MQGTLEDQII SANPLLEAFG NAXTVRNDNS SRFGXFIRIH DATA SEQUENCE FGATGKLASA DIETYLLEXS RVTFQLPAER SYHIFYQIMS NXXPELIDML DATA SEQUENCE LITTNPYDYH YVSEGEITVP SIDDQEELMA TDSAIDILGF SADEXTAIYX DATA SEQUENCE LTGAVMHYGN LKFXQXQREE QAEPDGTEVA DXAAYLMGLN SAELLKALCY DATA SEQUENCE PRVGVGNEAV TXGETVSEVH NSVGALAXAV YEXMFLWMVI RINQQLDTKQ DATA SEQUENCE PRQYFIGVLD IAGFEIFDFN SFEQLCINFT NEXLQQFFNH HMFVLEQEEY DATA SEQUENCE XXEGIEWEFI DFGMDLAACI ELIEXPMGIF SILEEECMFP KATDTSFXNX DATA SEQUENCE LYDEHLGKSN NFQKPKPAKG KAEAHFSLVH YAGTVDYNIS GWLEXNXDPL DATA SEQUENCE NETVIGLYQX SSVXTLALLF ATYGGEAEGG GGKKGGKKKG SSFQTVSALF DATA SEQUENCE RENLNXLMAN LRSTHPHFVR CIIPNETXTP GAMEHELVLH QLRCNGVLEG DATA SEQUENCE IRICRKGFPS RVLYADFKQR YRVLNASAIP EGQFMDSKKA SEKLLGGGDV DATA SEQUENCE DHTQYAFGHT XVFFXAGLLG LLEEMRDDXL AEIITATQAR CRGFLMRVEY DATA SEQUENCE RAMVERRESI FCIQYNVRSF MNVXHWPWMX LFFXIXPLLK 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.319 176.300 0.032 0.000 2.045 4 D CA 0.000 54.011 54.000 0.018 0.000 0.868 4 D CB 0.000 40.805 40.800 0.008 0.000 0.688 5 A N 1.343 124.180 122.820 0.028 0.000 1.865 5 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 5 A C 1.866 179.476 177.584 0.042 0.000 1.191 5 A CA 2.140 54.195 52.037 0.030 0.000 0.623 5 A CB -0.658 18.357 19.000 0.025 0.000 0.826 5 A HN 0.298 nan 8.150 nan 0.000 0.444 6 E N -0.225 120.006 120.200 0.051 0.000 2.021 6 E HA -0.151 4.199 4.350 -0.001 0.000 0.200 6 E C 0.348 177.018 176.600 0.116 0.000 1.015 6 E CA 0.911 57.355 56.400 0.073 0.000 0.824 6 E CB -0.326 29.423 29.700 0.081 0.000 0.762 6 E HN 0.558 nan 8.360 nan 0.000 0.454 7 M N 0.080 119.771 119.600 0.153 0.000 2.390 7 M HA 0.044 4.524 4.480 -0.001 0.000 0.353 7 M C 0.361 176.765 176.300 0.173 0.000 1.623 7 M CA 0.458 55.913 55.300 0.258 0.000 1.065 7 M CB 0.684 33.385 32.600 0.168 0.000 2.025 7 M HN 0.222 nan 8.290 nan 0.000 0.461 8 A N 3.036 125.957 122.820 0.168 0.000 1.429 8 A HA 0.396 4.716 4.320 -0.001 0.000 0.212 8 A C 1.785 179.371 177.584 0.003 0.000 1.863 8 A CA 0.538 52.616 52.037 0.068 0.000 1.494 8 A CB -0.926 18.086 19.000 0.021 0.000 1.413 8 A HN 0.726 nan 8.150 nan 0.000 0.338 9 A N 0.248 122.978 122.820 -0.150 0.000 1.896 9 A HA -0.087 4.233 4.320 -0.001 0.000 0.220 9 A C 1.901 179.279 177.584 -0.344 0.000 1.206 9 A CA 2.316 54.128 52.037 -0.375 0.000 0.647 9 A CB -1.042 17.519 19.000 -0.731 0.000 0.828 9 A HN 0.724 nan 8.150 nan 0.000 0.455 10 F N -1.144 118.797 119.950 -0.015 0.000 2.094 10 F HA 0.292 4.818 4.527 -0.001 0.000 0.291 10 F C 2.499 178.322 175.800 0.038 0.000 1.109 10 F CA 0.809 58.822 58.000 0.021 0.000 1.221 10 F CB -1.228 37.785 39.000 0.020 0.000 1.014 10 F HN 0.473 nan 8.300 nan 0.000 0.473 11 G N 0.475 109.454 108.800 0.299 0.000 3.773 11 G HA2 -0.529 3.431 3.960 -0.001 0.000 0.355 11 G HA3 -0.529 3.431 3.960 -0.001 0.000 0.355 11 G C 1.271 176.260 174.900 0.148 0.000 1.323 11 G CA 1.289 46.489 45.100 0.166 0.000 1.103 11 G HN 0.335 nan 8.290 nan 0.000 0.716 12 E N 1.049 121.340 120.200 0.151 0.000 2.160 12 E HA 0.203 4.552 4.350 -0.001 0.000 0.195 12 E C 2.857 179.579 176.600 0.203 0.000 0.991 12 E CA 1.966 58.460 56.400 0.157 0.000 0.810 12 E CB -0.382 29.418 29.700 0.166 0.000 0.742 12 E HN 0.759 nan 8.360 nan 0.000 0.466 13 A N 0.290 123.261 122.820 0.252 0.000 2.021 13 A HA 0.161 4.481 4.320 -0.001 0.000 0.216 13 A C 2.284 179.975 177.584 0.179 0.000 1.163 13 A CA 1.034 53.256 52.037 0.308 0.000 0.676 13 A CB -0.537 18.665 19.000 0.336 0.000 0.818 13 A HN 0.294 nan 8.150 nan 0.000 0.453 14 A N 1.260 124.136 122.820 0.094 0.000 1.916 14 A HA -0.241 4.079 4.320 -0.001 0.000 0.224 14 A C 0.254 177.755 177.584 -0.138 0.000 1.366 14 A CA 2.471 54.469 52.037 -0.066 0.000 0.692 14 A CB -2.074 16.922 19.000 -0.005 0.000 0.841 14 A HN 0.482 nan 8.150 nan 0.000 0.480 15 P HA -0.148 nan 4.420 nan 0.000 0.220 15 P C 0.528 177.592 177.300 -0.394 0.000 1.144 15 P CA 1.380 64.258 63.100 -0.370 0.000 0.800 15 P CB -0.255 31.121 31.700 -0.540 0.000 0.772 16 Y N -2.426 117.876 120.300 0.003 0.000 2.462 16 Y HA 0.145 4.694 4.550 -0.001 0.000 0.261 16 Y C 1.952 177.836 175.900 -0.027 0.000 1.146 16 Y CA 0.033 58.138 58.100 0.008 0.000 1.283 16 Y CB -0.319 38.139 38.460 -0.004 0.000 1.090 16 Y HN -0.166 nan 8.280 nan 0.000 0.526 17 L N -1.096 120.143 121.223 0.027 0.000 2.435 17 L HA 0.298 4.637 4.340 -0.001 0.000 0.195 17 L C 0.918 177.740 176.870 -0.080 0.000 1.072 17 L CA 0.804 55.611 54.840 -0.054 0.000 0.833 17 L CB -0.199 41.719 42.059 -0.235 0.000 1.081 17 L HN -0.086 nan 8.230 nan 0.000 0.485 21 E N 1.039 121.225 120.200 -0.024 0.000 2.516 21 E HA -0.135 4.215 4.350 -0.001 0.000 0.206 21 E C 1.174 177.758 176.600 -0.027 0.000 1.107 21 E CA 1.524 57.910 56.400 -0.024 0.000 0.903 21 E CB -0.175 29.515 29.700 -0.018 0.000 0.838 21 E HN 0.629 nan 8.360 nan 0.000 0.574 22 K N -2.191 118.193 120.400 -0.026 0.000 2.474 22 K HA 0.171 4.490 4.320 -0.001 0.000 0.204 22 K C 1.560 178.143 176.600 -0.028 0.000 1.220 22 K CA -0.131 56.139 56.287 -0.028 0.000 0.966 22 K CB 0.108 32.594 32.500 -0.023 0.000 1.049 22 K HN -0.110 nan 8.250 nan 0.000 0.554 23 E N 1.359 121.543 120.200 -0.026 0.000 2.153 23 E HA -0.071 4.279 4.350 -0.001 0.000 0.194 23 E C 1.830 178.412 176.600 -0.029 0.000 0.988 23 E CA 1.127 57.512 56.400 -0.025 0.000 0.811 23 E CB 0.138 29.823 29.700 -0.024 0.000 0.746 23 E HN 0.242 nan 8.360 nan 0.000 0.466 24 R N 0.238 120.718 120.500 -0.034 0.000 2.070 24 R HA -0.069 4.271 4.340 -0.001 0.000 0.227 24 R C 2.467 178.737 176.300 -0.051 0.000 1.147 24 R CA 1.260 57.335 56.100 -0.040 0.000 0.924 24 R CB -0.459 29.817 30.300 -0.041 0.000 0.827 24 R HN 0.192 nan 8.270 nan 0.000 0.431 25 I N 1.381 121.919 120.570 -0.052 0.000 2.185 25 I HA -0.307 3.862 4.170 -0.001 0.000 0.246 25 I C 1.845 177.929 176.117 -0.055 0.000 1.088 25 I CA 1.635 62.899 61.300 -0.060 0.000 1.347 25 I CB -0.508 37.461 38.000 -0.052 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.394 120.568 120.200 -0.042 0.000 2.418 26 E HA -0.087 4.263 4.350 -0.001 0.000 0.197 26 E C 2.047 178.626 176.600 -0.035 0.000 1.026 26 E CA 0.877 57.256 56.400 -0.035 0.000 0.862 26 E CB 0.058 29.743 29.700 -0.025 0.000 0.799 26 E HN 0.540 nan 8.360 nan 0.000 0.518 27 A N 0.704 123.498 122.820 -0.043 0.000 1.973 27 A HA -0.040 4.280 4.320 -0.001 0.000 0.210 27 A C 1.945 179.488 177.584 -0.070 0.000 1.200 27 A CA 0.182 52.192 52.037 -0.044 0.000 0.707 27 A CB 0.099 19.078 19.000 -0.036 0.000 0.862 27 A HN 0.054 nan 8.150 nan 0.000 0.461 28 Q N 0.325 120.070 119.800 -0.091 0.000 2.187 28 Q HA 0.032 4.372 4.340 -0.001 0.000 0.199 28 Q C 0.082 176.001 176.000 -0.134 0.000 0.957 28 Q CA 0.487 56.207 55.803 -0.137 0.000 0.857 28 Q CB -0.038 28.605 28.738 -0.158 0.000 0.929 28 Q HN 0.561 nan 8.270 nan 0.000 0.453 32 F N 1.147 121.068 119.950 -0.049 0.000 2.574 32 F HA 0.381 4.908 4.527 -0.001 0.000 0.313 32 F C -1.045 174.727 175.800 -0.048 0.000 1.130 32 F CA -0.522 57.446 58.000 -0.053 0.000 0.936 32 F CB 2.181 41.148 39.000 -0.055 0.000 1.219 32 F HN 0.179 nan 8.300 nan 0.000 0.445 33 D N 5.069 125.052 120.400 -0.695 0.000 2.479 33 D HA 0.471 5.110 4.640 -0.001 0.000 0.247 33 D C 0.175 176.122 176.300 -0.588 0.000 1.119 33 D CA 0.144 53.867 54.000 -0.462 0.000 0.922 33 D CB 1.334 41.956 40.800 -0.297 0.000 1.014 33 D HN 0.758 nan 8.370 nan 0.000 0.510 37 S N 2.015 117.534 115.700 -0.301 0.000 2.533 37 S HA 0.697 5.167 4.470 -0.001 0.000 0.282 37 S C -0.195 174.262 174.600 -0.239 0.000 1.304 37 S CA -0.329 57.672 58.200 -0.332 0.000 1.063 37 S CB 1.452 64.320 63.200 -0.554 0.000 0.881 37 S HN 0.622 nan 8.310 nan 0.000 0.493 38 V N 1.961 121.726 119.914 -0.248 0.000 3.258 38 V HA 0.512 4.632 4.120 -0.001 0.000 0.299 38 V C -1.460 174.442 176.094 -0.320 0.000 1.376 38 V CA -0.915 61.254 62.300 -0.218 0.000 1.063 38 V CB 2.071 33.844 31.823 -0.083 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.181 121.115 119.950 -0.026 0.000 2.425 39 F HA 0.857 5.384 4.527 -0.001 0.000 0.331 39 F C 0.140 176.046 175.800 0.176 0.000 1.085 39 F CA -0.549 57.435 58.000 -0.027 0.000 1.028 39 F CB 1.887 40.770 39.000 -0.196 0.000 1.177 39 F HN 0.231 nan 8.300 nan 0.000 0.487 40 V N 2.439 122.667 119.914 0.524 0.000 3.178 40 V HA 0.489 4.609 4.120 -0.001 0.000 0.302 40 V C -0.966 175.492 176.094 0.608 0.000 1.262 40 V CA -0.923 61.681 62.300 0.506 0.000 1.030 40 V CB 2.580 34.559 31.823 0.261 0.000 1.074 40 V HN 0.485 nan 8.190 nan 0.000 0.438 41 V N 3.810 124.008 119.914 0.473 0.000 3.139 41 V HA 0.342 4.461 4.120 -0.001 0.000 0.307 41 V C -0.332 175.886 176.094 0.206 0.000 1.095 41 V CA 0.385 62.820 62.300 0.224 0.000 1.160 41 V CB 1.017 32.935 31.823 0.158 0.000 1.003 41 V HN 0.998 nan 8.190 nan 0.000 0.489 42 H N 5.164 124.208 119.070 -0.043 0.000 3.188 42 H HA 0.303 4.858 4.556 -0.001 0.000 0.325 42 H C -2.401 172.913 175.328 -0.024 0.000 1.033 42 H CA -1.591 54.461 56.048 0.008 0.000 1.443 42 H CB 2.196 32.003 29.762 0.075 0.000 1.968 42 H HN 0.303 nan 8.280 nan 0.000 0.449 43 P HA -0.181 nan 4.420 nan 0.000 0.217 43 P C 1.027 178.462 177.300 0.225 0.000 1.158 43 P CA 1.608 64.806 63.100 0.163 0.000 0.887 43 P CB 0.767 32.492 31.700 0.042 0.000 0.792 44 K N -1.147 119.502 120.400 0.415 0.000 2.056 44 K HA 0.053 4.373 4.320 -0.001 0.000 0.205 44 K C 1.237 177.812 176.600 -0.042 0.000 1.035 44 K CA 0.746 57.127 56.287 0.156 0.000 0.955 44 K CB -0.244 32.360 32.500 0.172 0.000 0.769 44 K HN 0.096 nan 8.250 nan 0.000 0.447 45 Q N 0.118 119.682 119.800 -0.394 0.000 2.261 45 Q HA 0.151 4.491 4.340 -0.001 0.000 0.252 45 Q C 0.663 176.573 176.000 -0.149 0.000 0.915 45 Q CA -0.216 55.392 55.803 -0.325 0.000 0.915 45 Q CB 1.800 30.296 28.738 -0.403 0.000 1.204 45 Q HN 0.147 nan 8.270 nan 0.000 0.421 46 S N 1.983 117.696 115.700 0.021 0.000 2.389 46 S HA -0.143 4.326 4.470 -0.001 0.000 0.229 46 S C -0.171 174.267 174.600 -0.270 0.000 1.048 46 S CA 1.512 59.657 58.200 -0.092 0.000 1.117 46 S CB 0.060 63.244 63.200 -0.027 0.000 1.020 46 S HN 0.469 nan 8.310 nan 0.000 0.430 47 F N -1.014 119.034 119.950 0.163 0.000 2.607 47 F HA 0.577 5.104 4.527 -0.001 0.000 0.322 47 F C -0.180 175.832 175.800 0.354 0.000 1.176 47 F CA -0.700 57.430 58.000 0.215 0.000 0.977 47 F CB 1.493 40.555 39.000 0.103 0.000 1.242 47 F HN -0.078 nan 8.300 nan 0.000 0.465 51 T N 1.333 115.841 114.554 -0.077 0.000 2.797 51 T HA 0.507 4.856 4.350 -0.001 0.000 0.279 51 T C 0.193 174.852 174.700 -0.069 0.000 0.991 51 T CA -0.430 61.613 62.100 -0.095 0.000 0.979 51 T CB 1.209 70.020 68.868 -0.093 0.000 0.943 51 T HN 0.415 nan 8.240 nan 0.000 0.444 52 I N 3.852 124.377 120.570 -0.076 0.000 2.533 52 I HA 0.118 4.288 4.170 -0.001 0.000 0.284 52 I C 1.359 177.446 176.117 -0.050 0.000 1.109 52 I CA 0.057 61.324 61.300 -0.055 0.000 1.412 52 I CB 0.428 38.395 38.000 -0.055 0.000 1.396 52 I HN 0.686 nan 8.210 nan 0.000 0.543 53 Q N 4.043 123.820 119.800 -0.038 0.000 2.240 53 Q HA 0.125 4.464 4.340 -0.001 0.000 0.194 53 Q C 0.584 176.567 176.000 -0.029 0.000 0.982 53 Q CA 0.807 56.590 55.803 -0.033 0.000 0.842 53 Q CB 0.091 28.813 28.738 -0.026 0.000 0.941 53 Q HN 0.814 nan 8.270 nan 0.000 0.516 57 G N 0.604 109.397 108.800 -0.011 0.000 2.245 57 G HA2 -0.273 3.687 3.960 -0.001 0.000 0.264 57 G HA3 -0.273 3.687 3.960 -0.001 0.000 0.264 57 G C 0.517 175.412 174.900 -0.009 0.000 0.985 57 G CA 0.499 45.594 45.100 -0.009 0.000 0.625 57 G HN 0.819 nan 8.290 nan 0.000 0.536 61 T N 2.249 116.792 114.554 -0.019 0.000 2.771 61 T HA 0.879 5.229 4.350 -0.001 0.000 0.281 61 T C -0.389 174.301 174.700 -0.018 0.000 0.982 61 T CA -0.684 61.405 62.100 -0.017 0.000 0.978 61 T CB 1.866 70.724 68.868 -0.018 0.000 0.930 61 T HN 0.531 nan 8.240 nan 0.000 0.447 65 E N 0.570 120.804 120.200 0.057 0.000 2.267 65 E HA 0.496 4.846 4.350 -0.001 0.000 0.241 65 E C 0.489 177.131 176.600 0.070 0.000 0.950 65 E CA 0.038 56.468 56.400 0.049 0.000 0.776 65 E CB 0.350 30.078 29.700 0.045 0.000 1.207 65 E HN 0.945 nan 8.360 nan 0.000 0.436 66 G N 1.835 110.668 108.800 0.055 0.000 3.259 66 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.217 66 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.217 66 G C 0.423 175.350 174.900 0.046 0.000 0.993 66 G CA -0.168 44.965 45.100 0.055 0.000 0.836 66 G HN 0.803 nan 8.290 nan 0.000 0.514 67 G N -0.180 108.647 108.800 0.045 0.000 3.055 67 G HA2 0.438 4.398 3.960 -0.001 0.000 0.654 67 G HA3 0.438 4.398 3.960 -0.001 0.000 0.654 67 G C -0.704 174.218 174.900 0.036 0.000 1.134 67 G CA 0.824 45.942 45.100 0.031 0.000 1.049 67 G HN 1.306 nan 8.290 nan 0.000 0.458 68 E N 0.299 120.519 120.200 0.032 0.000 2.388 68 E HA 0.734 5.084 4.350 -0.001 0.000 0.281 68 E C -0.387 176.218 176.600 0.008 0.000 1.046 68 E CA -0.373 56.041 56.400 0.023 0.000 0.825 68 E CB 1.524 31.249 29.700 0.041 0.000 1.243 68 E HN 0.752 nan 8.360 nan 0.000 0.438 69 T N 1.507 116.057 114.554 -0.008 0.000 2.841 69 T HA 0.711 5.061 4.350 -0.001 0.000 0.285 69 T C -0.842 173.841 174.700 -0.029 0.000 0.991 69 T CA -0.660 61.431 62.100 -0.014 0.000 0.966 69 T CB 0.888 69.749 68.868 -0.012 0.000 0.962 69 T HN 0.300 nan 8.240 nan 0.000 0.438 70 L N 2.161 123.366 121.223 -0.030 0.000 2.422 70 L HA 0.626 4.965 4.340 -0.001 0.000 0.264 70 L C -0.317 176.537 176.870 -0.026 0.000 0.984 70 L CA -0.475 54.341 54.840 -0.041 0.000 0.819 70 L CB 2.788 44.808 42.059 -0.064 0.000 1.330 70 L HN 0.775 nan 8.230 nan 0.000 0.410 71 T N 2.418 116.956 114.554 -0.025 0.000 2.853 71 T HA 0.560 4.910 4.350 -0.001 0.000 0.317 71 T C -0.526 174.164 174.700 -0.017 0.000 1.059 71 T CA -0.320 61.769 62.100 -0.019 0.000 0.954 71 T CB 1.036 69.894 68.868 -0.017 0.000 0.994 71 T HN 0.193 nan 8.240 nan 0.000 0.479 72 V N 3.355 123.261 119.914 -0.014 0.000 2.864 72 V HA 0.446 4.566 4.120 -0.001 0.000 0.314 72 V C 0.439 176.523 176.094 -0.017 0.000 1.073 72 V CA -1.160 61.134 62.300 -0.010 0.000 0.956 72 V CB 2.322 34.148 31.823 0.004 0.000 1.023 72 V HN 0.736 nan 8.190 nan 0.000 0.435 73 K N 1.491 121.881 120.400 -0.016 0.000 2.414 73 K HA -0.132 4.187 4.320 -0.001 0.000 0.266 73 K C 1.234 177.805 176.600 -0.047 0.000 0.976 73 K CA 1.185 57.457 56.287 -0.025 0.000 0.884 73 K CB 0.112 32.601 32.500 -0.018 0.000 0.959 73 K HN 0.779 nan 8.250 nan 0.000 0.531 74 E N 0.282 120.452 120.200 -0.049 0.000 2.107 74 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 74 E C 0.107 176.632 176.600 -0.124 0.000 0.982 74 E CA 1.298 57.658 56.400 -0.067 0.000 0.809 74 E CB 0.173 29.847 29.700 -0.044 0.000 0.756 74 E HN 0.500 nan 8.360 nan 0.000 0.459 75 D N -0.641 119.688 120.400 -0.118 0.000 2.706 75 D HA 0.067 4.706 4.640 -0.001 0.000 0.236 75 D C 0.431 176.564 176.300 -0.278 0.000 1.231 75 D CA 0.008 53.887 54.000 -0.200 0.000 0.828 75 D CB 0.349 41.075 40.800 -0.124 0.000 1.015 75 D HN 0.002 nan 8.370 nan 0.000 0.484 76 Q N -0.690 118.953 119.800 -0.263 0.000 2.189 76 Q HA 0.268 4.608 4.340 -0.001 0.000 0.223 76 Q C -0.786 175.086 176.000 -0.213 0.000 0.828 76 Q CA 0.021 55.750 55.803 -0.123 0.000 0.967 76 Q CB 1.317 30.059 28.738 0.006 0.000 1.139 76 Q HN 0.048 nan 8.270 nan 0.000 0.497 77 V N 1.543 121.166 119.914 -0.485 0.000 2.417 77 V HA 0.502 4.622 4.120 -0.001 0.000 0.291 77 V C -1.134 174.602 176.094 -0.596 0.000 1.024 77 V CA -0.483 61.614 62.300 -0.339 0.000 0.861 77 V CB 1.093 32.827 31.823 -0.149 0.000 0.985 77 V HN 0.101 nan 8.190 nan 0.000 0.436 78 F N 1.813 121.834 119.950 0.119 0.000 2.547 78 F HA 0.508 5.035 4.527 -0.001 0.000 0.316 78 F C 0.737 176.625 175.800 0.146 0.000 1.121 78 F CA -0.587 57.501 58.000 0.147 0.000 0.911 78 F CB 1.843 40.766 39.000 -0.128 0.000 1.179 78 F HN 0.352 nan 8.300 nan 0.000 0.443 79 S N 2.489 118.478 115.700 0.482 0.000 2.589 79 S HA 0.263 4.733 4.470 -0.001 0.000 0.256 79 S C -0.316 174.391 174.600 0.178 0.000 1.383 79 S CA -0.138 58.218 58.200 0.261 0.000 0.983 79 S CB 0.337 63.681 63.200 0.239 0.000 0.908 79 S HN 0.694 nan 8.310 nan 0.000 0.572 80 M N 2.134 121.690 119.600 -0.073 0.000 2.267 80 M HA 0.316 4.795 4.480 -0.001 0.000 0.289 80 M C -1.071 175.185 176.300 -0.073 0.000 1.043 80 M CA -0.555 54.683 55.300 -0.103 0.000 0.928 80 M CB 1.052 33.467 32.600 -0.309 0.000 1.613 80 M HN 0.508 nan 8.290 nan 0.000 0.450 81 N N 5.720 124.384 118.700 -0.059 0.000 2.454 81 N HA 0.210 4.949 4.740 -0.001 0.000 0.254 81 N C -2.500 172.820 175.510 -0.316 0.000 1.228 81 N CA -0.515 52.495 53.050 -0.067 0.000 0.900 81 N CB 0.303 38.847 38.487 0.096 0.000 1.089 81 N HN 0.461 nan 8.380 nan 0.000 0.449 82 P HA 0.111 nan 4.420 nan 0.000 0.269 82 P C -2.352 174.560 177.300 -0.647 0.000 1.217 82 P CA -0.704 61.889 63.100 -0.845 0.000 0.783 82 P CB -0.468 31.018 31.700 -0.356 0.000 0.898 89 E N 2.052 122.324 120.200 0.119 0.000 2.118 89 E HA -0.182 4.168 4.350 -0.001 0.000 0.195 89 E C 0.170 176.909 176.600 0.233 0.000 0.992 89 E CA 1.243 57.733 56.400 0.150 0.000 0.804 89 E CB 0.304 30.114 29.700 0.184 0.000 0.741 89 E HN 0.381 nan 8.360 nan 0.000 0.458 90 D N -0.788 119.736 120.400 0.207 0.000 2.420 90 D HA 0.125 4.764 4.640 -0.001 0.000 0.255 90 D C 0.643 177.006 176.300 0.105 0.000 1.185 90 D CA -0.170 53.947 54.000 0.196 0.000 0.904 90 D CB 0.681 41.565 40.800 0.141 0.000 1.102 90 D HN -0.041 nan 8.370 nan 0.000 0.534 91 M N 1.489 121.146 119.600 0.095 0.000 2.337 91 M HA -0.143 4.337 4.480 -0.001 0.000 0.261 91 M C 1.740 178.036 176.300 -0.005 0.000 1.067 91 M CA 1.181 56.505 55.300 0.039 0.000 1.074 91 M CB -0.119 32.503 32.600 0.037 0.000 1.395 91 M HN 0.359 nan 8.290 nan 0.000 0.431 92 A N -0.495 122.332 122.820 0.010 0.000 2.255 92 A HA 0.089 4.409 4.320 -0.001 0.000 0.206 92 A C 1.889 179.432 177.584 -0.069 0.000 1.193 92 A CA 0.652 52.673 52.037 -0.028 0.000 0.794 92 A CB -0.588 18.405 19.000 -0.010 0.000 0.794 92 A HN 0.527 nan 8.150 nan 0.000 0.481 93 M N -1.428 118.131 119.600 -0.068 0.000 2.367 93 M HA 0.285 4.764 4.480 -0.001 0.000 0.256 93 M C 0.310 176.504 176.300 -0.175 0.000 1.091 93 M CA -0.000 55.250 55.300 -0.083 0.000 1.049 93 M CB 0.081 32.673 32.600 -0.014 0.000 1.406 93 M HN 0.371 nan 8.290 nan 0.000 0.498 94 M N -0.308 119.128 119.600 -0.274 0.000 2.252 94 M HA -0.095 4.385 4.480 -0.001 0.000 0.321 94 M C 1.279 177.304 176.300 -0.458 0.000 1.070 94 M CA 0.789 55.737 55.300 -0.586 0.000 1.143 94 M CB 0.391 32.791 32.600 -0.333 0.000 1.498 94 M HN -0.088 nan 8.290 nan 0.000 0.445 95 T N -0.036 114.188 114.554 -0.550 0.000 3.122 95 T HA 0.133 4.483 4.350 -0.001 0.000 0.250 95 T C -0.663 173.867 174.700 -0.283 0.000 1.067 95 T CA 0.278 62.218 62.100 -0.266 0.000 0.966 95 T CB -0.281 68.524 68.868 -0.105 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.872 119.772 119.070 -0.283 0.000 2.854 96 H HA 0.396 4.951 4.556 -0.001 0.000 0.275 96 H C -1.228 173.901 175.328 -0.332 0.000 1.198 96 H CA -0.698 55.176 56.048 -0.290 0.000 1.489 96 H CB 0.563 30.225 29.762 -0.166 0.000 1.519 96 H HN 0.051 nan 8.280 nan 0.000 0.503 97 L N 4.041 125.098 121.223 -0.276 0.000 2.358 97 L HA 0.251 4.590 4.340 -0.001 0.000 0.274 97 L C 0.107 176.838 176.870 -0.232 0.000 1.136 97 L CA 0.095 54.813 54.840 -0.204 0.000 0.970 97 L CB -1.304 40.656 42.059 -0.164 0.000 1.314 97 L HN 0.717 nan 8.230 nan 0.000 0.427 98 H N -0.722 118.289 119.070 -0.098 0.000 2.896 98 H HA 0.318 4.874 4.556 -0.001 0.000 0.318 98 H C 0.557 175.698 175.328 -0.311 0.000 1.409 98 H CA -0.656 55.273 56.048 -0.198 0.000 1.328 98 H CB 1.816 31.384 29.762 -0.323 0.000 1.940 98 H HN 0.389 nan 8.280 nan 0.000 0.665 99 E N 0.223 120.244 120.200 -0.299 0.000 2.042 99 E HA -0.023 4.327 4.350 -0.001 0.000 0.189 99 E C -1.033 175.183 176.600 -0.640 0.000 0.974 99 E CA 0.264 56.411 56.400 -0.421 0.000 0.806 99 E CB -0.552 28.912 29.700 -0.393 0.000 0.769 99 E HN 0.415 nan 8.360 nan 0.000 0.451 100 P HA -0.132 nan 4.420 nan 0.000 0.215 100 P C 0.995 177.734 177.300 -0.935 0.000 1.157 100 P CA 1.851 64.168 63.100 -1.306 0.000 0.863 100 P CB -0.107 30.458 31.700 -1.891 0.000 0.787 101 A N -0.626 121.747 122.820 -0.745 0.000 2.032 101 A HA -0.154 4.165 4.320 -0.001 0.000 0.221 101 A C 2.318 179.816 177.584 -0.143 0.000 1.165 101 A CA 1.751 53.623 52.037 -0.275 0.000 0.645 101 A CB -1.684 17.440 19.000 0.205 0.000 0.807 101 A HN 0.090 nan 8.150 nan 0.000 0.453 102 V N -0.560 119.241 119.914 -0.188 0.000 2.446 102 V HA -0.133 3.986 4.120 -0.001 0.000 0.244 102 V C 2.391 178.390 176.094 -0.158 0.000 1.039 102 V CA 1.554 63.778 62.300 -0.128 0.000 1.045 102 V CB -0.487 31.266 31.823 -0.117 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.089 120.986 121.223 -0.246 0.000 1.994 103 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 103 L C 2.283 178.963 176.870 -0.317 0.000 1.071 103 L CA 2.225 56.880 54.840 -0.308 0.000 0.745 103 L CB -1.148 40.667 42.059 -0.407 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.045 120.161 120.300 -0.307 0.000 2.256 104 Y HA -0.248 4.301 4.550 -0.001 0.000 0.288 104 Y C 2.663 178.526 175.900 -0.061 0.000 1.155 104 Y CA 2.019 60.013 58.100 -0.178 0.000 1.203 104 Y CB -0.625 37.726 38.460 -0.182 0.000 0.980 104 Y HN 0.475 nan 8.280 nan 0.000 0.530 105 N N -0.440 118.294 118.700 0.057 0.000 2.216 105 N HA -0.093 4.647 4.740 -0.001 0.000 0.183 105 N C 0.480 176.002 175.510 0.021 0.000 1.017 105 N CA 0.239 53.323 53.050 0.057 0.000 0.861 105 N CB -0.150 38.367 38.487 0.050 0.000 0.986 105 N HN -0.023 nan 8.380 nan 0.000 0.428 109 R N 0.497 121.019 120.500 0.037 0.000 2.319 109 R HA 0.112 4.451 4.340 -0.001 0.000 0.204 109 R C 1.513 177.839 176.300 0.043 0.000 0.954 109 R CA 0.716 56.833 56.100 0.028 0.000 1.066 109 R CB -0.133 30.186 30.300 0.033 0.000 0.991 109 R HN 0.151 nan 8.270 nan 0.000 0.486 110 Y N 0.912 121.133 120.300 -0.132 0.000 2.464 110 Y HA 0.371 4.921 4.550 -0.001 0.000 0.288 110 Y C 2.271 177.942 175.900 -0.382 0.000 1.133 110 Y CA 0.191 58.178 58.100 -0.188 0.000 1.223 110 Y CB -0.119 38.248 38.460 -0.156 0.000 1.187 110 Y HN 0.057 nan 8.280 nan 0.000 0.539 111 A N 0.253 122.832 122.820 -0.401 0.000 2.178 111 A HA 0.134 4.454 4.320 -0.001 0.000 0.218 111 A C 1.911 179.076 177.584 -0.699 0.000 1.157 111 A CA 1.403 53.071 52.037 -0.616 0.000 0.689 111 A CB -1.080 17.749 19.000 -0.285 0.000 0.787 111 A HN 0.515 nan 8.150 nan 0.000 0.465 112 A N -3.315 119.253 122.820 -0.421 0.000 2.430 112 A HA 0.418 4.737 4.320 -0.001 0.000 0.243 112 A C 0.353 177.952 177.584 0.024 0.000 1.254 112 A CA -0.190 51.736 52.037 -0.186 0.000 0.914 112 A CB -0.427 18.536 19.000 -0.062 0.000 0.998 112 A HN 0.711 nan 8.150 nan 0.000 0.515 113 W N -1.468 119.795 121.300 -0.063 0.000 4.301 113 W HA -0.169 4.490 4.660 -0.001 0.000 0.360 113 W C -0.556 175.999 176.519 0.061 0.000 1.371 113 W CA 0.772 58.108 57.345 -0.015 0.000 0.781 113 W CB -2.345 27.182 29.460 0.112 0.000 2.488 113 W HN 0.404 nan 8.180 nan 0.000 1.350 114 M N 0.894 120.583 119.600 0.149 0.000 2.066 114 M HA 0.274 4.754 4.480 -0.001 0.000 0.340 114 M C 1.522 177.840 176.300 0.030 0.000 1.053 114 M CA -0.183 55.173 55.300 0.094 0.000 0.983 114 M CB 0.663 33.300 32.600 0.062 0.000 1.520 114 M HN 0.103 nan 8.290 nan 0.000 0.428 115 I N -0.759 119.728 120.570 -0.138 0.000 3.226 115 I HA 0.111 4.281 4.170 -0.001 0.000 0.277 115 I C -0.520 175.283 176.117 -0.523 0.000 1.243 115 I CA 0.538 61.636 61.300 -0.336 0.000 1.459 115 I CB 0.126 37.819 38.000 -0.513 0.000 1.093 115 I HN 0.387 nan 8.210 nan 0.000 0.453 116 Y N 2.128 122.400 120.300 -0.047 0.000 2.402 116 Y HA 0.548 5.097 4.550 -0.001 0.000 0.332 116 Y C 0.315 176.111 175.900 -0.174 0.000 0.960 116 Y CA -1.176 56.850 58.100 -0.123 0.000 1.228 116 Y CB 1.239 39.598 38.460 -0.167 0.000 1.120 116 Y HN -0.051 nan 8.280 nan 0.000 0.491 117 T N 3.183 117.736 114.554 -0.003 0.000 2.861 117 T HA 0.589 4.939 4.350 -0.001 0.000 0.287 117 T C -1.117 173.565 174.700 -0.030 0.000 1.003 117 T CA -0.552 61.518 62.100 -0.051 0.000 0.977 117 T CB 0.420 69.288 68.868 0.000 0.000 0.996 117 T HN 0.297 nan 8.240 nan 0.000 0.448 118 Y N 2.218 122.591 120.300 0.121 0.000 2.307 118 Y HA 0.557 5.107 4.550 -0.001 0.000 0.324 118 Y C 1.291 177.263 175.900 0.119 0.000 1.238 118 Y CA -0.782 57.397 58.100 0.131 0.000 1.280 118 Y CB 1.676 40.205 38.460 0.114 0.000 1.248 118 Y HN 0.649 nan 8.280 nan 0.000 0.508 119 S N 1.255 117.168 115.700 0.355 0.000 2.327 119 S HA 0.553 5.022 4.470 -0.001 0.000 0.203 119 S C 0.328 175.055 174.600 0.211 0.000 1.326 119 S CA 0.266 58.620 58.200 0.257 0.000 1.248 119 S CB -0.938 62.410 63.200 0.247 0.000 1.199 119 S HN 1.248 nan 8.310 nan 0.000 0.422 120 G N 2.036 110.905 108.800 0.113 0.000 3.110 120 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.238 120 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.238 120 G C 0.263 175.134 174.900 -0.049 0.000 1.647 120 G CA 0.084 45.178 45.100 -0.010 0.000 1.146 120 G HN 0.535 nan 8.290 nan 0.000 0.545 121 L N 1.108 122.231 121.223 -0.167 0.000 2.515 121 L HA 0.478 4.818 4.340 -0.001 0.000 0.223 121 L C 1.074 177.999 176.870 0.092 0.000 1.079 121 L CA -0.152 54.651 54.840 -0.062 0.000 0.857 121 L CB -0.031 42.010 42.059 -0.029 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.814 119.274 119.950 0.230 0.000 2.535 122 F HA 0.037 4.563 4.527 -0.001 0.000 0.332 122 F C 0.719 176.699 175.800 0.299 0.000 1.208 122 F CA -0.922 57.208 58.000 0.216 0.000 1.330 122 F CB 0.169 39.222 39.000 0.088 0.000 1.167 122 F HN -0.206 nan 8.300 nan 0.000 0.597 123 C N 3.889 123.490 119.300 0.502 0.000 2.814 123 C HA 0.653 5.112 4.460 -0.001 0.000 0.269 123 C C -0.540 174.573 174.990 0.206 0.000 1.090 123 C CA -0.688 58.539 59.018 0.348 0.000 1.492 123 C CB -1.464 26.430 27.740 0.255 0.000 1.825 123 C HN 0.495 nan 8.230 nan 0.000 0.442 124 V N 5.001 125.014 119.914 0.165 0.000 2.763 124 V HA 0.338 4.458 4.120 -0.001 0.000 0.306 124 V C 0.802 176.954 176.094 0.097 0.000 1.059 124 V CA 0.789 63.131 62.300 0.070 0.000 1.138 124 V CB 1.279 33.114 31.823 0.020 0.000 0.940 124 V HN 0.852 nan 8.190 nan 0.000 0.489 125 T N 3.496 118.076 114.554 0.042 0.000 3.011 125 T HA 0.514 4.864 4.350 -0.001 0.000 0.303 125 T C -0.692 173.940 174.700 -0.114 0.000 0.997 125 T CA -0.357 61.761 62.100 0.030 0.000 1.007 125 T CB 1.523 70.484 68.868 0.155 0.000 1.017 125 T HN 0.456 nan 8.240 nan 0.000 0.443 126 V N 3.679 123.464 119.914 -0.216 0.000 2.459 126 V HA 0.445 4.564 4.120 -0.001 0.000 0.295 126 V C 0.577 176.513 176.094 -0.264 0.000 1.029 126 V CA -1.218 60.903 62.300 -0.300 0.000 0.874 126 V CB 1.542 33.070 31.823 -0.491 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.572 124.073 118.700 -0.333 0.000 2.417 127 N HA 0.054 4.794 4.740 -0.001 0.000 0.272 127 N C -1.442 173.817 175.510 -0.418 0.000 1.304 127 N CA -1.068 51.707 53.050 -0.458 0.000 0.906 127 N CB 1.204 39.230 38.487 -0.769 0.000 1.135 127 N HN 0.487 nan 8.380 nan 0.000 0.483 128 P HA -0.097 nan 4.420 nan 0.000 0.215 128 P C -0.540 176.806 177.300 0.077 0.000 1.157 128 P CA 1.021 64.123 63.100 0.003 0.000 0.863 128 P CB 0.095 31.755 31.700 -0.067 0.000 0.787 132 L N 5.511 125.974 121.223 -1.266 0.000 2.445 132 L HA 0.547 4.886 4.340 -0.001 0.000 0.262 132 L C -1.744 174.076 176.870 -1.750 0.000 0.974 132 L CA -1.840 52.249 54.840 -1.252 0.000 0.822 132 L CB 2.697 44.268 42.059 -0.812 0.000 1.339 132 L HN 0.211 nan 8.230 nan 0.000 0.409 133 P HA 0.032 nan 4.420 nan 0.000 0.258 133 P C 1.046 178.306 177.300 -0.066 0.000 1.319 133 P CA 0.310 63.159 63.100 -0.418 0.000 0.785 133 P CB 0.200 31.951 31.700 0.085 0.000 1.252 134 V N -1.479 118.408 119.914 -0.045 0.000 2.719 134 V HA -0.162 3.958 4.120 -0.001 0.000 0.252 134 V C 1.521 177.933 176.094 0.530 0.000 1.065 134 V CA 1.510 63.988 62.300 0.298 0.000 1.086 134 V CB -1.280 30.742 31.823 0.331 0.000 0.700 134 V HN 0.076 nan 8.190 nan 0.000 0.467 135 Y N -0.129 120.273 120.300 0.170 0.000 2.471 135 Y HA 0.232 4.781 4.550 -0.001 0.000 0.286 135 Y C 1.170 177.232 175.900 0.270 0.000 1.188 135 Y CA -1.164 57.142 58.100 0.343 0.000 1.286 135 Y CB -1.350 37.243 38.460 0.223 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.247 122.156 118.700 0.350 0.000 2.359 136 N HA -0.043 4.697 4.740 -0.001 0.000 0.261 136 N C -2.307 173.289 175.510 0.144 0.000 1.267 136 N CA -0.928 52.270 53.050 0.247 0.000 0.864 136 N CB 0.638 39.260 38.487 0.226 0.000 1.063 136 N HN 0.039 nan 8.380 nan 0.000 0.474 140 V N 1.102 120.836 119.914 -0.299 0.000 2.277 140 V HA -0.352 3.768 4.120 -0.001 0.000 0.255 140 V C 2.309 178.312 176.094 -0.152 0.000 1.074 140 V CA 3.121 65.191 62.300 -0.384 0.000 1.058 140 V CB -0.508 31.128 31.823 -0.313 0.000 0.656 140 V HN 0.485 nan 8.190 nan 0.000 0.449 141 L N -0.176 120.955 121.223 -0.153 0.000 2.044 141 L HA -0.017 4.323 4.340 -0.001 0.000 0.205 141 L C 2.626 179.414 176.870 -0.136 0.000 1.075 141 L CA 2.045 56.806 54.840 -0.132 0.000 0.747 141 L CB -1.204 40.770 42.059 -0.142 0.000 0.903 141 L HN 0.262 nan 8.230 nan 0.000 0.435 142 A N -1.080 121.595 122.820 -0.241 0.000 1.917 142 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 142 A C 2.067 179.498 177.584 -0.255 0.000 1.182 142 A CA 1.849 53.635 52.037 -0.418 0.000 0.633 142 A CB -1.066 17.366 19.000 -0.947 0.000 0.819 142 A HN 0.457 nan 8.150 nan 0.000 0.448 143 Y N -1.024 119.257 120.300 -0.032 0.000 2.529 143 Y HA 0.175 4.725 4.550 -0.001 0.000 0.290 143 Y C 1.039 176.979 175.900 0.067 0.000 1.177 143 Y CA 0.286 58.428 58.100 0.070 0.000 1.305 143 Y CB -0.054 38.460 38.460 0.089 0.000 1.047 143 Y HN 0.154 nan 8.280 nan 0.000 0.522 144 R N 0.775 121.359 120.500 0.139 0.000 2.242 144 R HA 0.375 4.715 4.340 -0.001 0.000 0.334 144 R C 0.770 177.109 176.300 0.065 0.000 1.071 144 R CA 0.105 56.264 56.100 0.099 0.000 0.922 144 R CB -0.386 29.920 30.300 0.009 0.000 1.023 144 R HN 0.395 nan 8.270 nan 0.000 0.458 145 G N 2.756 111.610 108.800 0.090 0.000 2.132 145 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.234 145 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.234 145 G C -0.459 174.470 174.900 0.050 0.000 0.989 145 G CA 0.094 45.229 45.100 0.059 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.155 121.606 120.400 0.085 0.000 2.265 146 K HA 0.536 4.856 4.320 -0.001 0.000 0.267 146 K C 0.638 177.300 176.600 0.103 0.000 0.994 146 K CA -0.746 55.598 56.287 0.095 0.000 0.860 146 K CB 0.871 33.457 32.500 0.144 0.000 1.099 146 K HN 0.089 nan 8.250 nan 0.000 0.448 147 K N 1.808 122.246 120.400 0.063 0.000 2.336 147 K HA 0.010 4.330 4.320 -0.001 0.000 0.262 147 K C 0.972 177.645 176.600 0.122 0.000 0.992 147 K CA 0.013 56.334 56.287 0.056 0.000 0.927 147 K CB 0.309 32.829 32.500 0.033 0.000 0.956 147 K HN 0.638 nan 8.250 nan 0.000 0.495 148 R N 0.476 121.046 120.500 0.118 0.000 2.369 148 R HA -0.098 4.242 4.340 -0.001 0.000 0.200 148 R C 0.497 176.896 176.300 0.164 0.000 1.046 148 R CA 1.087 57.288 56.100 0.168 0.000 1.057 148 R CB -0.125 30.222 30.300 0.079 0.000 0.888 148 R HN 0.483 nan 8.270 nan 0.000 0.474 149 Q N 0.471 120.345 119.800 0.124 0.000 2.352 149 Q HA 0.093 4.433 4.340 -0.001 0.000 0.212 149 Q C 0.811 176.884 176.000 0.122 0.000 0.888 149 Q CA 0.421 56.292 55.803 0.115 0.000 0.934 149 Q CB 0.707 29.496 28.738 0.085 0.000 1.093 149 Q HN 0.506 nan 8.270 nan 0.000 0.523 150 E N 0.275 120.550 120.200 0.126 0.000 2.478 150 E HA 0.245 4.594 4.350 -0.001 0.000 0.194 150 E C -0.125 176.554 176.600 0.132 0.000 1.045 150 E CA 0.165 56.633 56.400 0.112 0.000 0.868 150 E CB 0.650 30.407 29.700 0.094 0.000 0.885 150 E HN 0.220 nan 8.360 nan 0.000 0.505 151 A N 1.685 124.617 122.820 0.185 0.000 2.587 151 A HA 0.524 4.844 4.320 -0.001 0.000 0.293 151 A C -2.785 174.967 177.584 0.279 0.000 1.087 151 A CA -1.556 50.603 52.037 0.204 0.000 0.692 151 A CB 1.137 20.266 19.000 0.215 0.000 1.291 151 A HN -0.184 nan 8.150 nan 0.000 0.407 152 P HA 0.355 nan 4.420 nan 0.000 0.272 152 P C -2.753 174.703 177.300 0.259 0.000 1.230 152 P CA -1.387 61.818 63.100 0.175 0.000 0.788 152 P CB -0.646 31.058 31.700 0.006 0.000 0.949 153 P HA 0.033 nan 4.420 nan 0.000 0.258 153 P C -0.413 176.816 177.300 -0.118 0.000 1.187 153 P CA 1.193 64.088 63.100 -0.342 0.000 0.767 153 P CB -0.251 31.081 31.700 -0.613 0.000 0.770 154 H N 1.610 120.409 119.070 -0.451 0.000 3.094 154 H HA 0.208 4.763 4.556 -0.001 0.000 0.335 154 H C 0.710 175.502 175.328 -0.894 0.000 1.254 154 H CA -0.778 54.761 56.048 -0.850 0.000 1.240 154 H CB 1.363 30.653 29.762 -0.786 0.000 1.936 154 H HN 0.125 nan 8.280 nan 0.000 0.536 155 I N 2.460 122.306 120.570 -1.207 0.000 2.361 155 I HA -0.262 3.908 4.170 -0.001 0.000 0.251 155 I C 1.187 176.621 176.117 -1.138 0.000 1.133 155 I CA 1.303 61.967 61.300 -1.060 0.000 1.413 155 I CB -0.048 37.270 38.000 -1.136 0.000 1.073 155 I HN 0.496 nan 8.210 nan 0.000 0.424 156 F N -0.518 118.575 119.950 -1.429 0.000 2.502 156 F HA -0.127 4.399 4.527 -0.001 0.000 0.298 156 F C 2.699 177.953 175.800 -0.911 0.000 1.111 156 F CA 0.711 57.916 58.000 -1.325 0.000 1.445 156 F CB -0.780 37.454 39.000 -1.276 0.000 1.081 156 F HN -0.051 nan 8.300 nan 0.000 0.558 157 S N 0.379 115.679 115.700 -0.667 0.000 2.355 157 S HA -0.149 4.321 4.470 -0.001 0.000 0.222 157 S C 2.156 176.670 174.600 -0.143 0.000 1.031 157 S CA 1.099 59.163 58.200 -0.227 0.000 0.993 157 S CB -0.372 62.844 63.200 0.027 0.000 0.859 157 S HN 0.213 nan 8.310 nan 0.000 0.453 158 I N 1.504 121.958 120.570 -0.194 0.000 2.142 158 I HA -0.174 3.995 4.170 -0.001 0.000 0.240 158 I C 2.667 178.664 176.117 -0.200 0.000 1.078 158 I CA 1.660 62.876 61.300 -0.141 0.000 1.343 158 I CB -0.465 37.476 38.000 -0.099 0.000 1.046 158 I HN 0.405 nan 8.210 nan 0.000 0.405 159 S N -0.819 114.701 115.700 -0.300 0.000 2.442 159 S HA -0.238 4.232 4.470 -0.001 0.000 0.236 159 S C 1.904 176.413 174.600 -0.152 0.000 1.007 159 S CA 1.677 59.703 58.200 -0.290 0.000 0.965 159 S CB -0.396 62.400 63.200 -0.675 0.000 0.773 159 S HN 0.539 nan 8.310 nan 0.000 0.504 160 D N 0.754 121.075 120.400 -0.131 0.000 2.259 160 D HA 0.019 4.659 4.640 -0.001 0.000 0.216 160 D C 1.767 178.161 176.300 0.157 0.000 0.961 160 D CA 0.389 54.459 54.000 0.117 0.000 0.878 160 D CB -0.290 40.602 40.800 0.152 0.000 1.009 160 D HN 0.419 nan 8.370 nan 0.000 0.490 161 N N 0.879 119.613 118.700 0.057 0.000 2.149 161 N HA -0.152 4.587 4.740 -0.001 0.000 0.188 161 N C 1.854 177.485 175.510 0.201 0.000 1.019 161 N CA 1.001 54.087 53.050 0.061 0.000 0.857 161 N CB 0.039 38.577 38.487 0.085 0.000 0.997 161 N HN 0.157 nan 8.380 nan 0.000 0.426 162 A N 0.960 123.817 122.820 0.061 0.000 1.851 162 A HA -0.229 4.090 4.320 -0.001 0.000 0.216 162 A C 2.098 179.824 177.584 0.237 0.000 1.195 162 A CA 1.287 53.361 52.037 0.061 0.000 0.622 162 A CB -1.212 17.837 19.000 0.081 0.000 0.831 162 A HN 0.377 nan 8.150 nan 0.000 0.444 163 Y N 0.544 120.935 120.300 0.151 0.000 2.081 163 Y HA -0.307 4.243 4.550 -0.001 0.000 0.280 163 Y C 2.655 178.563 175.900 0.013 0.000 1.163 163 Y CA 2.290 60.427 58.100 0.060 0.000 1.135 163 Y CB -0.672 37.879 38.460 0.152 0.000 0.970 163 Y HN 0.474 nan 8.280 nan 0.000 0.498 164 Q N -1.158 118.701 119.800 0.098 0.000 1.927 164 Q HA -0.256 4.084 4.340 -0.001 0.000 0.210 164 Q C 2.179 178.132 176.000 -0.078 0.000 1.001 164 Q CA 2.132 57.894 55.803 -0.070 0.000 0.862 164 Q CB -0.703 27.939 28.738 -0.160 0.000 0.934 164 Q HN 0.433 nan 8.270 nan 0.000 0.420 165 F N 0.723 120.660 119.950 -0.021 0.000 2.141 165 F HA -0.323 4.204 4.527 -0.001 0.000 0.300 165 F C 2.376 178.122 175.800 -0.090 0.000 1.079 165 F CA 1.475 59.481 58.000 0.011 0.000 1.264 165 F CB -0.549 38.526 39.000 0.125 0.000 1.011 165 F HN 0.246 nan 8.300 nan 0.000 0.487 166 M N -0.325 119.309 119.600 0.055 0.000 2.059 166 M HA -0.233 4.246 4.480 -0.001 0.000 0.259 166 M C 2.084 178.150 176.300 -0.389 0.000 1.072 166 M CA 2.040 57.218 55.300 -0.204 0.000 1.117 166 M CB -0.449 31.993 32.600 -0.264 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.851 120.153 121.223 -0.365 0.000 2.156 167 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 167 L C 2.300 179.063 176.870 -0.179 0.000 1.095 167 L CA 1.257 55.916 54.840 -0.302 0.000 0.770 167 L CB -1.360 40.542 42.059 -0.260 0.000 0.914 167 L HN 0.272 nan 8.230 nan 0.000 0.439 168 T N -0.303 114.183 114.554 -0.113 0.000 2.701 168 T HA -0.130 4.219 4.350 -0.001 0.000 0.263 168 T C 1.300 175.988 174.700 -0.020 0.000 1.040 168 T CA 1.728 63.800 62.100 -0.048 0.000 1.147 168 T CB -0.217 68.635 68.868 -0.027 0.000 0.865 168 T HN 0.366 nan 8.240 nan 0.000 0.426 169 D N 0.325 120.731 120.400 0.010 0.000 2.348 169 D HA 0.098 4.737 4.640 -0.001 0.000 0.211 169 D C 0.623 176.870 176.300 -0.088 0.000 0.998 169 D CA 0.070 54.068 54.000 -0.003 0.000 0.873 169 D CB -0.061 40.772 40.800 0.054 0.000 0.925 169 D HN 0.250 nan 8.370 nan 0.000 0.524 170 R N 0.478 120.848 120.500 -0.217 0.000 3.531 170 R HA -0.153 4.186 4.340 -0.001 0.000 0.280 170 R C -0.619 175.527 176.300 -0.257 0.000 1.130 170 R CA 0.663 56.562 56.100 -0.336 0.000 0.757 170 R CB -2.294 27.955 30.300 -0.085 0.000 1.218 170 R HN 0.414 nan 8.270 nan 0.000 0.454 171 E N 0.543 120.585 120.200 -0.263 0.000 2.299 171 E HA 0.360 4.709 4.350 -0.001 0.000 0.265 171 E C -0.163 176.326 176.600 -0.184 0.000 0.911 171 E CA -1.064 55.248 56.400 -0.146 0.000 0.789 171 E CB 1.279 30.926 29.700 -0.089 0.000 1.246 171 E HN 0.110 nan 8.360 nan 0.000 0.427 172 N N 1.484 120.088 118.700 -0.159 0.000 2.445 172 N HA 0.182 4.922 4.740 -0.001 0.000 0.264 172 N C -0.365 175.005 175.510 -0.232 0.000 1.227 172 N CA -0.324 52.535 53.050 -0.318 0.000 0.963 172 N CB 0.972 38.997 38.487 -0.770 0.000 1.188 172 N HN 0.339 nan 8.380 nan 0.000 0.491 173 Q N -0.399 119.238 119.800 -0.271 0.000 2.495 173 Q HA 0.619 4.958 4.340 -0.001 0.000 0.283 173 Q C -1.054 174.915 176.000 -0.050 0.000 1.097 173 Q CA -0.680 55.074 55.803 -0.082 0.000 0.836 173 Q CB 1.866 30.610 28.738 0.011 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.642 115.084 115.700 0.043 0.000 2.565 174 S HA 0.803 5.273 4.470 -0.001 0.000 0.269 174 S C -1.405 173.245 174.600 0.083 0.000 1.153 174 S CA -0.728 57.532 58.200 0.100 0.000 0.835 174 S CB 0.786 64.067 63.200 0.135 0.000 1.122 174 S HN 0.425 nan 8.310 nan 0.000 0.462 175 I N 1.401 122.044 120.570 0.121 0.000 2.512 175 I HA 0.396 4.566 4.170 -0.001 0.000 0.287 175 I C -1.667 174.522 176.117 0.120 0.000 1.069 175 I CA -0.487 60.878 61.300 0.108 0.000 1.056 175 I CB 1.852 39.939 38.000 0.146 0.000 1.229 175 I HN 0.547 nan 8.210 nan 0.000 0.429 176 L N 7.798 129.069 121.223 0.079 0.000 2.277 176 L HA 0.516 4.855 4.340 -0.001 0.000 0.284 176 L C -0.402 176.577 176.870 0.183 0.000 1.028 176 L CA -0.045 54.883 54.840 0.147 0.000 0.835 176 L CB 0.726 42.885 42.059 0.166 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.362 123.025 120.570 0.154 0.000 2.353 177 I HA 0.586 4.755 4.170 -0.001 0.000 0.293 177 I C 0.417 176.599 176.117 0.109 0.000 0.992 177 I CA 0.301 61.675 61.300 0.124 0.000 1.268 177 I CB 1.635 39.697 38.000 0.104 0.000 1.387 177 I HN 0.509 nan 8.210 nan 0.000 0.478 178 T N 3.475 118.078 114.554 0.081 0.000 3.012 178 T HA 0.769 5.118 4.350 -0.001 0.000 0.330 178 T C -0.645 174.070 174.700 0.024 0.000 1.321 178 T CA -0.647 61.490 62.100 0.061 0.000 1.067 178 T CB 1.799 70.710 68.868 0.072 0.000 1.235 178 T HN 0.944 nan 8.240 nan 0.000 0.479 179 G N 1.560 110.377 108.800 0.028 0.000 2.356 179 G HA2 0.505 4.465 3.960 -0.001 0.000 0.294 179 G HA3 0.505 4.465 3.960 -0.001 0.000 0.294 179 G C -1.559 173.358 174.900 0.028 0.000 1.423 179 G CA -0.870 44.237 45.100 0.011 0.000 0.806 179 G HN 0.691 nan 8.290 nan 0.000 0.527 180 E N 0.209 120.424 120.200 0.025 0.000 2.391 180 E HA 0.287 4.637 4.350 -0.001 0.000 0.255 180 E C 1.201 177.832 176.600 0.051 0.000 1.187 180 E CA 0.110 56.536 56.400 0.043 0.000 0.941 180 E CB 1.134 30.861 29.700 0.045 0.000 1.010 180 E HN 0.352 nan 8.360 nan 0.000 0.458 181 S N 0.854 116.595 115.700 0.069 0.000 2.414 181 S HA -0.217 4.253 4.470 -0.001 0.000 0.241 181 S C 1.590 176.225 174.600 0.059 0.000 1.079 181 S CA 1.974 60.212 58.200 0.063 0.000 1.087 181 S CB -0.476 62.767 63.200 0.071 0.000 0.927 181 S HN 0.699 nan 8.310 nan 0.000 0.456 182 G N -0.971 107.869 108.800 0.067 0.000 3.126 182 G HA2 0.455 4.415 3.960 -0.001 0.000 0.224 182 G HA3 0.455 4.415 3.960 -0.001 0.000 0.224 182 G C 1.243 176.191 174.900 0.080 0.000 1.142 182 G CA 0.586 45.739 45.100 0.088 0.000 0.759 182 G HN 0.570 nan 8.290 nan 0.000 0.550 183 A N 0.333 123.178 122.820 0.042 0.000 2.070 183 A HA 0.381 4.700 4.320 -0.001 0.000 0.220 183 A C 1.932 179.516 177.584 -0.000 0.000 1.159 183 A CA 1.494 53.533 52.037 0.004 0.000 0.656 183 A CB -0.538 18.458 19.000 -0.007 0.000 0.800 183 A HN 1.630 nan 8.150 nan 0.000 0.453 184 G N -0.564 108.255 108.800 0.032 0.000 2.452 184 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.275 184 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.275 184 G C 0.402 175.330 174.900 0.046 0.000 1.131 184 G CA 0.506 45.630 45.100 0.040 0.000 1.031 184 G HN 0.645 nan 8.290 nan 0.000 0.511 185 K N -0.490 119.937 120.400 0.045 0.000 2.067 185 K HA 0.017 4.337 4.320 -0.001 0.000 0.203 185 K C 2.560 179.198 176.600 0.062 0.000 1.048 185 K CA 1.480 57.798 56.287 0.052 0.000 0.954 185 K CB -0.450 32.078 32.500 0.047 0.000 0.737 185 K HN 0.310 nan 8.250 nan 0.000 0.444 186 T N 2.155 116.742 114.554 0.054 0.000 2.649 186 T HA -0.194 4.155 4.350 -0.001 0.000 0.268 186 T C 2.202 176.956 174.700 0.091 0.000 1.036 186 T CA 2.023 64.161 62.100 0.064 0.000 1.157 186 T CB -0.900 68.003 68.868 0.059 0.000 0.861 186 T HN 0.027 nan 8.240 nan 0.000 0.445 187 V N 2.686 122.656 119.914 0.093 0.000 2.282 187 V HA -0.261 3.859 4.120 -0.001 0.000 0.249 187 V C 2.493 178.671 176.094 0.141 0.000 1.057 187 V CA 1.899 64.268 62.300 0.114 0.000 1.032 187 V CB -0.814 31.068 31.823 0.099 0.000 0.645 187 V HN 0.446 nan 8.190 nan 0.000 0.447 188 N N 0.241 119.011 118.700 0.115 0.000 2.106 188 N HA -0.066 4.674 4.740 -0.001 0.000 0.188 188 N C 1.189 176.732 175.510 0.055 0.000 1.029 188 N CA 1.406 54.506 53.050 0.082 0.000 0.848 188 N CB -0.606 37.913 38.487 0.053 0.000 1.007 188 N HN 0.572 nan 8.380 nan 0.000 0.423 192 V N 1.736 121.648 119.914 -0.004 0.000 2.379 192 V HA -0.172 3.947 4.120 -0.001 0.000 0.245 192 V C 2.136 178.320 176.094 0.150 0.000 1.044 192 V CA 1.909 64.190 62.300 -0.032 0.000 1.036 192 V CB -0.336 31.501 31.823 0.024 0.000 0.664 192 V HN 0.249 nan 8.190 nan 0.000 0.453 193 I N 0.123 120.824 120.570 0.219 0.000 2.163 193 I HA -0.284 3.885 4.170 -0.001 0.000 0.243 193 I C 2.779 179.049 176.117 0.254 0.000 1.085 193 I CA 1.670 63.143 61.300 0.288 0.000 1.347 193 I CB -0.934 37.192 38.000 0.209 0.000 1.044 193 I HN 0.441 nan 8.210 nan 0.000 0.408 194 Q N 0.086 120.006 119.800 0.200 0.000 2.077 194 Q HA -0.288 4.051 4.340 -0.001 0.000 0.206 194 Q C 2.213 178.303 176.000 0.150 0.000 0.989 194 Q CA 2.012 57.918 55.803 0.173 0.000 0.853 194 Q CB -0.938 27.912 28.738 0.186 0.000 0.907 194 Q HN 0.524 nan 8.270 nan 0.000 0.418 195 Y N 0.826 121.145 120.300 0.032 0.000 2.069 195 Y HA -0.304 4.245 4.550 -0.001 0.000 0.278 195 Y C 2.058 177.839 175.900 -0.199 0.000 1.175 195 Y CA 1.703 59.745 58.100 -0.097 0.000 1.134 195 Y CB -0.527 37.814 38.460 -0.199 0.000 0.965 195 Y HN -0.025 nan 8.280 nan 0.000 0.498 196 F N -0.479 119.588 119.950 0.195 0.000 2.069 196 F HA -0.217 4.310 4.527 -0.001 0.000 0.298 196 F C 2.634 178.468 175.800 0.058 0.000 1.113 196 F CA 1.439 59.523 58.000 0.139 0.000 1.214 196 F CB -1.433 37.799 39.000 0.386 0.000 0.978 196 F HN 0.127 nan 8.300 nan 0.000 0.474 197 A N 0.117 123.082 122.820 0.243 0.000 1.883 197 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 197 A C 2.270 179.875 177.584 0.036 0.000 1.186 197 A CA 2.768 54.888 52.037 0.139 0.000 0.624 197 A CB -1.481 17.584 19.000 0.109 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.720 115.243 114.554 -0.052 0.000 2.569 198 T HA -0.189 4.161 4.350 -0.001 0.000 0.263 198 T C 1.824 176.410 174.700 -0.189 0.000 1.074 198 T CA 1.437 63.462 62.100 -0.126 0.000 1.176 198 T CB -0.975 67.786 68.868 -0.179 0.000 0.863 198 T HN 0.811 nan 8.240 nan 0.000 0.410 199 I N 0.227 120.570 120.570 -0.380 0.000 3.233 199 I HA 0.283 4.452 4.170 -0.001 0.000 0.287 199 I C 0.885 176.840 176.117 -0.269 0.000 1.329 199 I CA 0.909 61.964 61.300 -0.408 0.000 1.385 199 I CB -0.833 36.752 38.000 -0.690 0.000 1.053 199 I HN 0.347 nan 8.210 nan 0.000 0.525 200 A N 0.315 123.071 122.820 -0.106 0.000 3.318 200 A HA 0.755 5.074 4.320 -0.001 0.000 0.209 200 A C 0.155 177.826 177.584 0.144 0.000 1.102 200 A CA 0.059 52.124 52.037 0.047 0.000 1.128 200 A CB -0.618 18.431 19.000 0.081 0.000 1.310 200 A HN 0.497 nan 8.150 nan 0.000 0.726 201 A N 0.201 123.066 122.820 0.075 0.000 3.804 201 A HA 0.937 5.256 4.320 -0.001 0.000 0.174 201 A C 0.866 178.486 177.584 0.060 0.000 1.510 201 A CA 0.455 52.537 52.037 0.075 0.000 1.542 201 A CB -0.226 18.799 19.000 0.043 0.000 1.611 201 A HN 2.182 nan 8.150 nan 0.000 0.626 202 S N -2.366 113.358 115.700 0.040 0.000 3.956 202 S HA 0.042 4.512 4.470 -0.001 0.000 0.685 202 S C 0.453 175.073 174.600 0.033 0.000 0.569 202 S CA 0.943 59.164 58.200 0.034 0.000 1.348 202 S CB -1.694 61.533 63.200 0.044 0.000 0.726 202 S HN 2.285 nan 8.310 nan 0.000 0.895 203 G N 1.137 109.952 108.800 0.024 0.000 3.042 203 G HA2 0.468 4.427 3.960 -0.001 0.000 0.212 203 G HA3 0.468 4.427 3.960 -0.001 0.000 0.212 203 G C 0.720 175.629 174.900 0.014 0.000 1.166 203 G CA 0.666 45.777 45.100 0.018 0.000 0.767 203 G HN 1.040 nan 8.290 nan 0.000 0.546 204 E N -0.559 119.650 120.200 0.015 0.000 4.277 204 E HA -0.372 3.978 4.350 -0.001 0.000 0.189 204 E C 1.766 178.372 176.600 0.009 0.000 1.264 204 E CA 2.000 58.407 56.400 0.012 0.000 2.321 204 E CB -0.957 28.751 29.700 0.012 0.000 1.841 204 E HN 0.444 nan 8.360 nan 0.000 0.373 205 K N 1.027 121.431 120.400 0.007 0.000 2.116 205 K HA 0.007 4.327 4.320 -0.001 0.000 0.203 205 K C 1.863 178.466 176.600 0.006 0.000 1.052 205 K CA 1.152 57.442 56.287 0.005 0.000 0.952 205 K CB -0.088 32.414 32.500 0.003 0.000 0.729 205 K HN 0.129 nan 8.250 nan 0.000 0.446 206 K N 1.052 121.456 120.400 0.006 0.000 2.439 206 K HA -0.037 4.282 4.320 -0.001 0.000 0.197 206 K C 1.527 178.132 176.600 0.009 0.000 1.041 206 K CA 0.695 56.986 56.287 0.007 0.000 0.970 206 K CB 0.140 32.644 32.500 0.006 0.000 0.773 206 K HN 0.094 nan 8.250 nan 0.000 0.479 207 K N 1.227 121.633 120.400 0.009 0.000 2.288 207 K HA -0.041 4.279 4.320 -0.001 0.000 0.201 207 K C 0.221 176.827 176.600 0.009 0.000 1.048 207 K CA 0.614 56.907 56.287 0.010 0.000 0.956 207 K CB 0.088 32.593 32.500 0.009 0.000 0.746 207 K HN 0.273 nan 8.250 nan 0.000 0.461 208 E N 1.515 121.720 120.200 0.008 0.000 2.404 208 E HA -0.022 4.328 4.350 -0.001 0.000 0.261 208 E C -0.542 176.063 176.600 0.009 0.000 1.074 208 E CA 0.039 56.444 56.400 0.008 0.000 0.917 208 E CB 0.499 30.203 29.700 0.007 0.000 0.965 208 E HN 0.123 nan 8.360 nan 0.000 0.433 209 E N 2.119 122.324 120.200 0.009 0.000 2.148 209 E HA -0.011 4.339 4.350 -0.001 0.000 0.308 209 E C -0.705 175.901 176.600 0.009 0.000 1.278 209 E CA 0.181 56.587 56.400 0.010 0.000 1.368 209 E CB -0.052 29.653 29.700 0.009 0.000 1.229 209 E HN 0.254 nan 8.360 nan 0.000 0.494 210 Q N 0.663 120.468 119.800 0.010 0.000 3.147 210 Q HA 0.092 4.432 4.340 -0.001 0.000 0.224 210 Q C -0.468 175.538 176.000 0.010 0.000 0.901 210 Q CA -0.419 55.389 55.803 0.009 0.000 0.729 210 Q CB 1.495 30.237 28.738 0.008 0.000 1.363 210 Q HN 0.502 nan 8.270 nan 0.000 0.467 211 S N -1.287 114.420 115.700 0.012 0.000 3.635 211 S HA -0.192 4.277 4.470 -0.001 0.000 0.328 211 S C 0.495 175.104 174.600 0.015 0.000 1.135 211 S CA 0.362 58.570 58.200 0.014 0.000 0.942 211 S CB -2.227 60.981 63.200 0.013 0.000 0.930 211 S HN 0.844 nan 8.310 nan 0.000 0.512 212 G N 0.811 109.620 108.800 0.015 0.000 2.225 212 G HA2 0.364 4.324 3.960 -0.001 0.000 0.245 212 G HA3 0.364 4.324 3.960 -0.001 0.000 0.245 212 G C 0.687 175.599 174.900 0.020 0.000 1.249 212 G CA 0.267 45.377 45.100 0.016 0.000 0.919 212 G HN 0.938 nan 8.290 nan 0.000 0.486 213 K N -0.079 120.333 120.400 0.021 0.000 3.548 213 K HA -0.148 4.172 4.320 -0.001 0.000 0.296 213 K C 0.902 177.517 176.600 0.025 0.000 1.324 213 K CA 0.872 57.174 56.287 0.025 0.000 0.976 213 K CB -1.108 31.411 32.500 0.031 0.000 1.294 213 K HN 0.451 nan 8.250 nan 0.000 0.464 214 M N 1.554 121.167 119.600 0.021 0.000 2.157 214 M HA 0.108 4.588 4.480 -0.001 0.000 0.304 214 M C 0.800 177.110 176.300 0.018 0.000 1.171 214 M CA 0.532 55.845 55.300 0.022 0.000 1.157 214 M CB 0.040 32.652 32.600 0.020 0.000 1.403 214 M HN 0.041 nan 8.290 nan 0.000 0.473 215 Q N 0.033 119.845 119.800 0.019 0.000 2.315 215 Q HA 0.291 4.630 4.340 -0.001 0.000 0.289 215 Q C 0.839 176.841 176.000 0.004 0.000 1.044 215 Q CA 0.991 56.802 55.803 0.012 0.000 0.920 215 Q CB 0.156 28.906 28.738 0.019 0.000 1.214 215 Q HN 1.023 nan 8.270 nan 0.000 0.392 216 G N 1.814 110.610 108.800 -0.006 0.000 2.367 216 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.181 216 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.181 216 G C 0.016 174.909 174.900 -0.011 0.000 1.000 216 G CA -0.111 44.983 45.100 -0.010 0.000 0.693 216 G HN 0.561 nan 8.290 nan 0.000 0.480 217 T N 1.892 116.441 114.554 -0.007 0.000 2.909 217 T HA 0.649 4.999 4.350 -0.001 0.000 0.299 217 T C -0.964 173.731 174.700 -0.009 0.000 1.073 217 T CA -0.500 61.595 62.100 -0.008 0.000 0.999 217 T CB 2.447 71.316 68.868 0.001 0.000 1.098 217 T HN 1.011 nan 8.240 nan 0.000 0.477 218 L N 1.558 122.772 121.223 -0.015 0.000 2.296 218 L HA 0.806 5.145 4.340 -0.001 0.000 0.286 218 L C 0.127 176.995 176.870 -0.003 0.000 1.023 218 L CA -0.275 54.555 54.840 -0.017 0.000 0.812 218 L CB 0.649 42.684 42.059 -0.039 0.000 1.223 218 L HN 0.995 nan 8.230 nan 0.000 0.421 219 E N 1.356 121.560 120.200 0.007 0.000 3.026 219 E HA -0.135 4.214 4.350 -0.001 0.000 0.271 219 E C 0.304 176.923 176.600 0.031 0.000 0.499 219 E CA 0.785 57.200 56.400 0.025 0.000 1.976 219 E CB -0.565 29.151 29.700 0.027 0.000 2.815 219 E HN 0.792 nan 8.360 nan 0.000 0.619 220 D N 0.508 120.920 120.400 0.021 0.000 2.414 220 D HA -0.015 4.625 4.640 -0.001 0.000 0.237 220 D C 1.772 178.085 176.300 0.021 0.000 0.975 220 D CA 0.989 55.004 54.000 0.025 0.000 0.917 220 D CB -0.204 40.608 40.800 0.020 0.000 1.061 220 D HN 0.238 nan 8.370 nan 0.000 0.480 221 Q N 0.987 120.790 119.800 0.004 0.000 2.077 221 Q HA -0.159 4.181 4.340 -0.001 0.000 0.206 221 Q C 2.324 178.322 176.000 -0.003 0.000 0.989 221 Q CA 0.969 56.767 55.803 -0.009 0.000 0.853 221 Q CB -0.256 28.459 28.738 -0.037 0.000 0.907 221 Q HN 0.265 nan 8.270 nan 0.000 0.418 222 I N 1.285 121.853 120.570 -0.003 0.000 2.113 222 I HA -0.301 3.869 4.170 -0.001 0.000 0.242 222 I C 2.497 178.635 176.117 0.034 0.000 1.064 222 I CA 1.538 62.842 61.300 0.006 0.000 1.320 222 I CB -0.852 37.156 38.000 0.014 0.000 1.028 222 I HN 0.247 nan 8.210 nan 0.000 0.406 223 I N 0.001 120.598 120.570 0.046 0.000 2.162 223 I HA -0.221 3.949 4.170 -0.001 0.000 0.238 223 I C 2.552 178.708 176.117 0.065 0.000 1.076 223 I CA 1.080 62.420 61.300 0.066 0.000 1.353 223 I CB -0.705 37.336 38.000 0.070 0.000 1.063 223 I HN 0.135 nan 8.210 nan 0.000 0.408 224 S N 1.066 116.798 115.700 0.053 0.000 2.441 224 S HA -0.237 4.232 4.470 -0.001 0.000 0.242 224 S C 2.145 176.781 174.600 0.060 0.000 1.018 224 S CA 1.271 59.504 58.200 0.055 0.000 0.988 224 S CB -0.421 62.806 63.200 0.044 0.000 0.778 224 S HN 0.549 nan 8.310 nan 0.000 0.498 225 A N 3.225 126.075 122.820 0.050 0.000 1.859 225 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 225 A C 1.955 179.588 177.584 0.082 0.000 1.198 225 A CA 1.909 53.973 52.037 0.045 0.000 0.629 225 A CB -0.928 18.088 19.000 0.026 0.000 0.830 225 A HN 0.607 nan 8.150 nan 0.000 0.446 226 N N 0.550 119.315 118.700 0.107 0.000 2.027 226 N HA -0.174 4.566 4.740 -0.001 0.000 0.200 226 N C -0.922 174.691 175.510 0.172 0.000 1.042 226 N CA 2.048 55.191 53.050 0.154 0.000 0.871 226 N CB -2.280 36.297 38.487 0.149 0.000 1.063 226 N HN 0.349 nan 8.380 nan 0.000 0.438 227 P HA -0.088 nan 4.420 nan 0.000 0.227 227 P C 1.550 178.934 177.300 0.140 0.000 1.145 227 P CA 0.672 63.853 63.100 0.135 0.000 0.769 227 P CB -0.001 31.758 31.700 0.100 0.000 0.769 228 L N -1.326 119.985 121.223 0.146 0.000 2.185 228 L HA 0.068 4.407 4.340 -0.001 0.000 0.198 228 L C 2.099 179.149 176.870 0.300 0.000 1.079 228 L CA 1.291 56.235 54.840 0.173 0.000 0.780 228 L CB -1.442 40.667 42.059 0.085 0.000 0.955 228 L HN -0.245 nan 8.230 nan 0.000 0.462 229 L N 0.486 121.845 121.223 0.225 0.000 2.051 229 L HA -0.256 4.084 4.340 -0.001 0.000 0.214 229 L C 2.593 179.759 176.870 0.494 0.000 1.076 229 L CA 1.768 56.787 54.840 0.299 0.000 0.758 229 L CB -1.246 40.975 42.059 0.271 0.000 0.890 229 L HN 0.436 nan 8.230 nan 0.000 0.433 230 E N -1.102 119.346 120.200 0.413 0.000 2.153 230 E HA -0.180 4.170 4.350 -0.001 0.000 0.194 230 E C 2.166 178.978 176.600 0.353 0.000 0.988 230 E CA 1.102 57.743 56.400 0.402 0.000 0.811 230 E CB -0.118 29.772 29.700 0.316 0.000 0.746 230 E HN 0.525 nan 8.360 nan 0.000 0.466 231 A N 0.264 123.222 122.820 0.230 0.000 2.015 231 A HA -0.102 4.218 4.320 -0.001 0.000 0.219 231 A C 1.655 179.124 177.584 -0.191 0.000 1.163 231 A CA 1.021 53.062 52.037 0.007 0.000 0.646 231 A CB -0.331 18.502 19.000 -0.279 0.000 0.806 231 A HN 0.147 nan 8.150 nan 0.000 0.448 232 F N -1.243 118.794 119.950 0.144 0.000 2.559 232 F HA 0.253 4.779 4.527 -0.001 0.000 0.286 232 F C 2.256 178.005 175.800 -0.085 0.000 1.108 232 F CA 0.727 58.759 58.000 0.054 0.000 1.436 232 F CB -0.041 38.979 39.000 0.035 0.000 1.130 232 F HN 0.242 nan 8.300 nan 0.000 0.584 233 G N -0.752 108.268 108.800 0.367 0.000 3.393 233 G HA2 0.161 4.120 3.960 -0.001 0.000 0.255 233 G HA3 0.161 4.120 3.960 -0.001 0.000 0.255 233 G C -0.298 175.065 174.900 0.772 0.000 1.097 233 G CA -0.037 45.295 45.100 0.386 0.000 0.780 233 G HN 0.071 nan 8.290 nan 0.000 0.540 234 N N -0.224 118.790 118.700 0.523 0.000 2.265 234 N HA 0.825 5.565 4.740 -0.001 0.000 0.300 234 N C -0.325 174.978 175.510 -0.345 0.000 1.148 234 N CA -0.005 53.141 53.050 0.161 0.000 0.772 234 N CB 2.326 40.927 38.487 0.189 0.000 1.434 234 N HN 0.223 nan 8.380 nan 0.000 0.481 238 V N 1.091 120.981 119.914 -0.039 0.000 2.913 238 V HA -0.040 4.079 4.120 -0.001 0.000 0.260 238 V C 1.994 178.075 176.094 -0.020 0.000 1.098 238 V CA 1.756 64.034 62.300 -0.037 0.000 1.121 238 V CB -0.498 31.299 31.823 -0.042 0.000 0.714 238 V HN 0.666 nan 8.190 nan 0.000 0.487 239 R N -0.519 119.979 120.500 -0.003 0.000 2.087 239 R HA 0.162 4.502 4.340 -0.001 0.000 0.213 239 R C 0.901 177.219 176.300 0.031 0.000 1.137 239 R CA 0.368 56.478 56.100 0.018 0.000 1.022 239 R CB -0.074 30.249 30.300 0.039 0.000 0.920 239 R HN 0.429 nan 8.270 nan 0.000 0.451 240 N N 0.070 118.792 118.700 0.037 0.000 2.483 240 N HA 0.050 4.790 4.740 -0.001 0.000 0.285 240 N C -0.397 175.137 175.510 0.040 0.000 1.210 240 N CA -0.112 52.971 53.050 0.054 0.000 0.931 240 N CB 1.600 40.128 38.487 0.068 0.000 1.220 240 N HN -0.153 nan 8.380 nan 0.000 0.542 241 D N -0.592 119.841 120.400 0.054 0.000 2.423 241 D HA 0.118 4.758 4.640 -0.001 0.000 0.208 241 D C -0.396 175.973 176.300 0.115 0.000 1.068 241 D CA 0.526 54.557 54.000 0.052 0.000 0.860 241 D CB 0.190 41.005 40.800 0.025 0.000 0.992 241 D HN 0.406 nan 8.370 nan 0.000 0.504 242 N N -0.054 118.724 118.700 0.130 0.000 2.703 242 N HA 0.102 4.842 4.740 -0.001 0.000 0.283 242 N C -1.402 174.193 175.510 0.141 0.000 1.851 242 N CA -0.059 53.116 53.050 0.209 0.000 0.826 242 N CB 0.656 39.257 38.487 0.190 0.000 1.239 242 N HN -0.292 nan 8.380 nan 0.000 0.495 243 S N -0.211 115.542 115.700 0.089 0.000 2.565 243 S HA 0.269 4.739 4.470 -0.001 0.000 0.276 243 S C 0.109 174.729 174.600 0.033 0.000 1.326 243 S CA -0.196 58.032 58.200 0.047 0.000 1.045 243 S CB 0.491 63.705 63.200 0.023 0.000 0.918 243 S HN 0.331 nan 8.310 nan 0.000 0.505 244 S N 3.266 118.959 115.700 -0.011 0.000 2.430 244 S HA 0.207 4.676 4.470 -0.001 0.000 0.282 244 S C 0.934 175.492 174.600 -0.070 0.000 1.186 244 S CA -0.487 57.640 58.200 -0.121 0.000 1.060 244 S CB 0.013 63.068 63.200 -0.242 0.000 0.966 244 S HN 0.576 nan 8.310 nan 0.000 0.501 245 R N 3.380 123.935 120.500 0.092 0.000 2.480 245 R HA 0.199 4.538 4.340 -0.001 0.000 0.277 245 R C -0.431 176.058 176.300 0.316 0.000 1.008 245 R CA 0.104 56.322 56.100 0.197 0.000 1.090 245 R CB -0.564 29.857 30.300 0.202 0.000 1.234 245 R HN 0.649 nan 8.270 nan 0.000 0.549 246 F N -3.763 116.262 119.950 0.125 0.000 2.741 246 F HA 0.709 5.236 4.527 -0.001 0.000 0.313 246 F C -0.248 175.664 175.800 0.187 0.000 1.153 246 F CA -1.532 56.548 58.000 0.133 0.000 0.931 246 F CB 0.529 39.588 39.000 0.098 0.000 1.335 246 F HN -0.135 nan 8.300 nan 0.000 0.460 250 I N 5.511 125.923 120.570 -0.264 0.000 2.359 250 I HA 0.540 4.709 4.170 -0.001 0.000 0.294 250 I C -0.241 175.562 176.117 -0.524 0.000 0.987 250 I CA -0.730 60.388 61.300 -0.303 0.000 1.225 250 I CB 1.785 39.721 38.000 -0.106 0.000 1.366 250 I HN 0.447 nan 8.210 nan 0.000 0.466 251 R N 5.990 126.227 120.500 -0.438 0.000 2.275 251 R HA 0.530 4.870 4.340 -0.001 0.000 0.326 251 R C -1.030 175.080 176.300 -0.317 0.000 0.973 251 R CA -0.482 55.325 56.100 -0.488 0.000 0.854 251 R CB 0.997 30.866 30.300 -0.717 0.000 1.156 251 R HN 0.537 nan 8.270 nan 0.000 0.487 252 I N 3.474 123.885 120.570 -0.265 0.000 2.322 252 I HA 0.110 4.280 4.170 -0.001 0.000 0.292 252 I C -0.048 175.801 176.117 -0.447 0.000 1.060 252 I CA -0.376 60.703 61.300 -0.367 0.000 1.309 252 I CB 0.530 38.244 38.000 -0.477 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.469 125.349 119.070 -0.318 0.000 2.846 253 H HA 0.318 4.873 4.556 -0.001 0.000 0.278 253 H C -0.548 174.625 175.328 -0.257 0.000 1.117 253 H CA -0.080 55.885 56.048 -0.138 0.000 1.406 253 H CB 0.167 29.875 29.762 -0.089 0.000 1.445 253 H HN 0.323 nan 8.280 nan 0.000 0.469 254 F N 1.012 121.068 119.950 0.176 0.000 2.380 254 F HA 0.320 4.847 4.527 -0.001 0.000 0.325 254 F C 1.601 177.455 175.800 0.090 0.000 1.136 254 F CA 0.034 58.129 58.000 0.159 0.000 1.171 254 F CB 0.801 39.931 39.000 0.218 0.000 1.230 254 F HN 0.551 nan 8.300 nan 0.000 0.554 255 G N 0.241 109.200 108.800 0.264 0.000 2.494 255 G HA2 0.414 4.374 3.960 -0.001 0.000 0.270 255 G HA3 0.414 4.374 3.960 -0.001 0.000 0.270 255 G C 0.698 175.607 174.900 0.016 0.000 1.423 255 G CA -0.052 45.106 45.100 0.097 0.000 1.055 255 G HN 0.804 nan 8.290 nan 0.000 0.536 256 A N -1.445 121.365 122.820 -0.018 0.000 1.903 256 A HA 0.082 4.401 4.320 -0.001 0.000 0.213 256 A C 2.552 180.176 177.584 0.065 0.000 1.185 256 A CA 2.348 54.363 52.037 -0.036 0.000 0.628 256 A CB -1.137 17.846 19.000 -0.029 0.000 0.830 256 A HN 0.835 nan 8.150 nan 0.000 0.446 257 T N -3.144 111.454 114.554 0.073 0.000 2.622 257 T HA 0.232 4.582 4.350 -0.001 0.000 0.266 257 T C 1.524 176.294 174.700 0.116 0.000 1.047 257 T CA 2.049 64.201 62.100 0.087 0.000 1.159 257 T CB -0.596 68.324 68.868 0.086 0.000 0.863 257 T HN 1.523 nan 8.240 nan 0.000 0.422 258 G N 0.231 109.131 108.800 0.166 0.000 2.870 258 G HA2 0.020 3.980 3.960 -0.001 0.000 0.216 258 G HA3 0.020 3.980 3.960 -0.001 0.000 0.216 258 G C -0.177 174.943 174.900 0.367 0.000 0.973 258 G CA -0.588 44.634 45.100 0.204 0.000 0.807 258 G HN 0.500 nan 8.290 nan 0.000 0.573 259 K N 0.980 121.560 120.400 0.300 0.000 2.110 259 K HA 0.534 4.854 4.320 -0.001 0.000 0.263 259 K C 0.871 177.667 176.600 0.327 0.000 0.975 259 K CA -0.796 55.674 56.287 0.306 0.000 0.895 259 K CB 1.929 34.536 32.500 0.178 0.000 1.060 259 K HN 0.202 nan 8.250 nan 0.000 0.448 260 L N 1.495 122.908 121.223 0.318 0.000 2.640 260 L HA -0.247 4.093 4.340 -0.001 0.000 0.300 260 L C 1.059 177.948 176.870 0.032 0.000 1.259 260 L CA 0.552 55.457 54.840 0.108 0.000 0.879 260 L CB 0.284 42.378 42.059 0.059 0.000 1.125 260 L HN 0.915 nan 8.230 nan 0.000 0.507 261 A N 1.743 124.532 122.820 -0.052 0.000 1.895 261 A HA 0.385 4.705 4.320 -0.001 0.000 0.198 261 A C 0.353 177.895 177.584 -0.070 0.000 1.709 261 A CA 0.288 52.304 52.037 -0.034 0.000 1.194 261 A CB 0.576 19.576 19.000 -0.002 0.000 1.260 261 A HN 0.624 nan 8.150 nan 0.000 0.441 262 S N -1.946 113.705 115.700 -0.081 0.000 2.611 262 S HA 0.759 5.229 4.470 -0.001 0.000 0.268 262 S C -0.619 173.957 174.600 -0.040 0.000 1.156 262 S CA -0.093 58.054 58.200 -0.088 0.000 0.817 262 S CB 1.545 64.637 63.200 -0.181 0.000 1.122 262 S HN 1.478 nan 8.310 nan 0.000 0.466 263 A N 0.481 123.274 122.820 -0.045 0.000 2.532 263 A HA 0.888 5.208 4.320 -0.001 0.000 0.290 263 A C -1.924 175.631 177.584 -0.048 0.000 1.143 263 A CA -0.478 51.536 52.037 -0.038 0.000 0.728 263 A CB 1.692 20.644 19.000 -0.081 0.000 1.317 263 A HN 0.725 nan 8.150 nan 0.000 0.414 264 D N 1.115 121.469 120.400 -0.078 0.000 2.354 264 D HA 0.352 4.991 4.640 -0.001 0.000 0.230 264 D C -1.249 174.982 176.300 -0.116 0.000 1.361 264 D CA -0.021 53.919 54.000 -0.100 0.000 0.992 264 D CB 0.850 41.593 40.800 -0.094 0.000 1.409 264 D HN 0.482 nan 8.370 nan 0.000 0.573 265 I N 1.457 121.968 120.570 -0.097 0.000 2.566 265 I HA 0.414 4.584 4.170 -0.001 0.000 0.303 265 I C 0.273 176.352 176.117 -0.064 0.000 0.983 265 I CA -0.537 60.723 61.300 -0.066 0.000 1.235 265 I CB 1.815 39.778 38.000 -0.063 0.000 1.386 265 I HN 0.212 nan 8.210 nan 0.000 0.494 266 E N 2.190 122.375 120.200 -0.026 0.000 2.304 266 E HA 0.406 4.756 4.350 -0.001 0.000 0.277 266 E C -1.575 174.878 176.600 -0.246 0.000 0.898 266 E CA -0.495 55.824 56.400 -0.136 0.000 0.764 266 E CB 2.152 31.784 29.700 -0.114 0.000 1.216 266 E HN 0.544 nan 8.360 nan 0.000 0.419 267 T N 2.716 117.084 114.554 -0.310 0.000 2.855 267 T HA 0.535 4.885 4.350 -0.001 0.000 0.281 267 T C -1.409 173.099 174.700 -0.318 0.000 1.007 267 T CA -0.346 61.671 62.100 -0.138 0.000 1.009 267 T CB 0.418 69.323 68.868 0.063 0.000 0.983 267 T HN 0.253 nan 8.240 nan 0.000 0.455 268 Y N 0.881 121.361 120.300 0.300 0.000 2.442 268 Y HA 0.526 5.075 4.550 -0.001 0.000 0.344 268 Y C 0.010 176.039 175.900 0.214 0.000 0.976 268 Y CA -1.720 56.525 58.100 0.243 0.000 1.040 268 Y CB 1.064 39.672 38.460 0.248 0.000 1.228 268 Y HN 0.514 nan 8.280 nan 0.000 0.451 269 L N 3.043 124.429 121.223 0.271 0.000 3.642 269 L HA -0.250 4.089 4.340 -0.001 0.000 0.613 269 L C -0.812 176.142 176.870 0.139 0.000 1.064 269 L CA 0.228 55.142 54.840 0.123 0.000 1.039 269 L CB -0.779 41.313 42.059 0.054 0.000 1.226 269 L HN 0.496 nan 8.230 nan 0.000 0.764 270 L N 2.292 123.564 121.223 0.081 0.000 2.350 270 L HA 0.384 4.724 4.340 -0.001 0.000 0.275 270 L C 0.875 177.782 176.870 0.061 0.000 1.099 270 L CA 0.375 55.241 54.840 0.044 0.000 0.808 270 L CB 1.246 43.192 42.059 -0.188 0.000 1.149 270 L HN 0.361 nan 8.230 nan 0.000 0.442 274 R N 1.706 122.237 120.500 0.052 0.000 2.091 274 R HA -0.021 4.318 4.340 -0.001 0.000 0.238 274 R C 1.862 178.143 176.300 -0.031 0.000 1.136 274 R CA 1.784 57.863 56.100 -0.036 0.000 0.959 274 R CB -0.829 29.275 30.300 -0.327 0.000 0.856 274 R HN 0.331 nan 8.270 nan 0.000 0.437 275 V N 0.315 120.237 119.914 0.012 0.000 2.527 275 V HA -0.259 3.861 4.120 -0.001 0.000 0.255 275 V C 1.752 177.667 176.094 -0.299 0.000 1.081 275 V CA 2.175 64.389 62.300 -0.143 0.000 1.092 275 V CB -0.463 31.202 31.823 -0.263 0.000 0.673 275 V HN 0.424 nan 8.190 nan 0.000 0.470 276 T N -2.542 111.835 114.554 -0.294 0.000 2.958 276 T HA 0.324 4.673 4.350 -0.001 0.000 0.256 276 T C -0.182 174.408 174.700 -0.182 0.000 0.983 276 T CA 0.003 61.795 62.100 -0.515 0.000 0.924 276 T CB 0.357 68.961 68.868 -0.439 0.000 1.136 276 T HN 0.297 nan 8.240 nan 0.000 0.506 277 F N 2.048 121.846 119.950 -0.254 0.000 2.692 277 F HA 0.631 5.157 4.527 -0.001 0.000 0.320 277 F C -1.858 173.850 175.800 -0.154 0.000 1.123 277 F CA -0.894 56.995 58.000 -0.184 0.000 0.961 277 F CB 1.603 40.519 39.000 -0.139 0.000 1.383 277 F HN -0.074 nan 8.300 nan 0.000 0.483 278 Q N 3.504 122.723 119.800 -0.969 0.000 2.518 278 Q HA 0.324 4.663 4.340 -0.001 0.000 0.254 278 Q C -2.166 173.229 176.000 -1.008 0.000 0.962 278 Q CA -0.783 54.568 55.803 -0.753 0.000 0.982 278 Q CB 1.667 30.187 28.738 -0.364 0.000 1.516 278 Q HN 0.786 nan 8.270 nan 0.000 0.426 279 L N 2.581 123.441 121.223 -0.604 0.000 2.472 279 L HA 0.197 4.536 4.340 -0.001 0.000 0.260 279 L C -1.198 175.504 176.870 -0.280 0.000 1.209 279 L CA -1.553 53.050 54.840 -0.395 0.000 0.817 279 L CB 0.241 42.194 42.059 -0.176 0.000 1.106 279 L HN 0.529 nan 8.230 nan 0.000 0.479 280 P HA -0.151 nan 4.420 nan 0.000 0.218 280 P C 0.511 177.750 177.300 -0.103 0.000 1.148 280 P CA 1.247 64.271 63.100 -0.127 0.000 0.822 280 P CB 0.185 31.835 31.700 -0.083 0.000 0.784 281 A N -1.384 121.376 122.820 -0.101 0.000 2.348 281 A HA 0.109 4.428 4.320 -0.001 0.000 0.224 281 A C 0.870 178.395 177.584 -0.099 0.000 1.227 281 A CA -0.005 51.981 52.037 -0.085 0.000 0.885 281 A CB -0.175 18.784 19.000 -0.067 0.000 0.933 281 A HN 0.159 nan 8.150 nan 0.000 0.506 282 E N -0.171 119.953 120.200 -0.126 0.000 2.469 282 E HA 0.672 5.021 4.350 -0.001 0.000 0.246 282 E C -0.320 176.189 176.600 -0.152 0.000 0.969 282 E CA -1.009 55.311 56.400 -0.133 0.000 0.881 282 E CB 0.992 30.607 29.700 -0.141 0.000 1.320 282 E HN 0.437 nan 8.360 nan 0.000 0.421 283 R N -0.858 119.556 120.500 -0.143 0.000 2.752 283 R HA 0.456 4.796 4.340 -0.001 0.000 0.271 283 R C -0.830 175.433 176.300 -0.062 0.000 1.026 283 R CA -0.673 55.361 56.100 -0.110 0.000 0.901 283 R CB 1.610 31.786 30.300 -0.206 0.000 1.243 283 R HN 0.437 nan 8.270 nan 0.000 0.463 284 S N -0.286 115.484 115.700 0.118 0.000 2.640 284 S HA 0.297 4.766 4.470 -0.001 0.000 0.262 284 S C -0.411 174.252 174.600 0.104 0.000 1.232 284 S CA -0.550 57.667 58.200 0.030 0.000 0.988 284 S CB 0.052 63.296 63.200 0.074 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.430 121.844 120.300 0.191 0.000 2.812 285 Y HA -0.024 4.525 4.550 -0.001 0.000 0.348 285 Y C 2.008 177.994 175.900 0.143 0.000 1.274 285 Y CA 0.711 58.843 58.100 0.054 0.000 1.489 285 Y CB 0.186 38.682 38.460 0.060 0.000 1.348 285 Y HN 0.660 nan 8.280 nan 0.000 0.646 286 H N 1.382 120.624 119.070 0.286 0.000 2.326 286 H HA -0.151 4.405 4.556 -0.001 0.000 0.301 286 H C 2.356 177.731 175.328 0.079 0.000 1.081 286 H CA 1.671 57.854 56.048 0.226 0.000 1.334 286 H CB -0.454 29.377 29.762 0.115 0.000 1.385 286 H HN 0.809 nan 8.280 nan 0.000 0.504 287 I N 0.778 121.300 120.570 -0.079 0.000 2.161 287 I HA -0.405 3.765 4.170 -0.001 0.000 0.246 287 I C 1.919 177.874 176.117 -0.271 0.000 1.048 287 I CA 1.595 62.669 61.300 -0.377 0.000 1.314 287 I CB -0.290 37.163 38.000 -0.912 0.000 1.014 287 I HN -0.044 nan 8.210 nan 0.000 0.418 288 F N -0.213 119.645 119.950 -0.153 0.000 2.069 288 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 288 F C 2.217 177.804 175.800 -0.353 0.000 1.113 288 F CA 1.898 59.695 58.000 -0.339 0.000 1.214 288 F CB -1.316 37.319 39.000 -0.607 0.000 0.978 288 F HN 0.111 nan 8.300 nan 0.000 0.474 289 Y N -0.586 119.830 120.300 0.192 0.000 2.373 289 Y HA -0.125 4.425 4.550 -0.001 0.000 0.293 289 Y C 2.454 178.382 175.900 0.047 0.000 1.129 289 Y CA 0.773 58.929 58.100 0.093 0.000 1.226 289 Y CB -1.071 37.439 38.460 0.082 0.000 1.000 289 Y HN 0.114 nan 8.280 nan 0.000 0.549 290 Q N 0.507 120.400 119.800 0.156 0.000 1.967 290 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 290 Q C 2.260 178.288 176.000 0.046 0.000 0.985 290 Q CA 2.025 57.875 55.803 0.078 0.000 0.839 290 Q CB -0.341 28.415 28.738 0.030 0.000 0.906 290 Q HN 0.442 nan 8.270 nan 0.000 0.423 291 I N 0.162 120.745 120.570 0.021 0.000 2.185 291 I HA -0.345 3.825 4.170 -0.001 0.000 0.246 291 I C 2.059 178.168 176.117 -0.014 0.000 1.088 291 I CA 1.428 62.727 61.300 -0.003 0.000 1.347 291 I CB -0.225 37.774 38.000 -0.002 0.000 1.041 291 I HN 0.431 nan 8.210 nan 0.000 0.415 292 M N 0.027 119.627 119.600 -0.000 0.000 2.659 292 M HA -0.063 4.417 4.480 -0.001 0.000 0.243 292 M C 2.213 178.536 176.300 0.037 0.000 1.111 292 M CA 0.729 56.033 55.300 0.006 0.000 1.070 292 M CB -0.225 32.374 32.600 -0.001 0.000 1.525 292 M HN 0.287 nan 8.290 nan 0.000 0.517 293 S N 0.295 116.020 115.700 0.042 0.000 2.402 293 S HA -0.075 4.395 4.470 -0.001 0.000 0.229 293 S C 0.643 175.258 174.600 0.025 0.000 1.021 293 S CA 0.898 59.123 58.200 0.042 0.000 0.974 293 S CB -0.367 62.857 63.200 0.039 0.000 0.800 293 S HN 0.705 nan 8.310 nan 0.000 0.484 298 E N 1.155 121.333 120.200 -0.037 0.000 2.097 298 E HA -0.150 4.200 4.350 -0.001 0.000 0.196 298 E C 1.775 178.347 176.600 -0.046 0.000 1.000 298 E CA 1.290 57.671 56.400 -0.032 0.000 0.804 298 E CB -0.632 29.046 29.700 -0.037 0.000 0.740 298 E HN 0.138 nan 8.360 nan 0.000 0.454 299 L N 0.363 121.524 121.223 -0.103 0.000 2.021 299 L HA -0.215 4.125 4.340 -0.001 0.000 0.215 299 L C 2.233 179.061 176.870 -0.070 0.000 1.074 299 L CA 1.527 56.274 54.840 -0.156 0.000 0.760 299 L CB -0.608 41.279 42.059 -0.287 0.000 0.889 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 I N -0.622 119.923 120.570 -0.042 0.000 2.208 300 I HA -0.305 3.865 4.170 -0.001 0.000 0.245 300 I C 2.069 178.210 176.117 0.041 0.000 1.097 300 I CA 1.573 62.873 61.300 0.000 0.000 1.363 300 I CB -0.387 37.617 38.000 0.007 0.000 1.051 300 I HN 0.341 nan 8.210 nan 0.000 0.413 301 D N -0.547 119.874 120.400 0.035 0.000 2.213 301 D HA -0.110 4.529 4.640 -0.001 0.000 0.205 301 D C 2.118 178.463 176.300 0.074 0.000 0.961 301 D CA 0.909 54.941 54.000 0.053 0.000 0.853 301 D CB -0.060 40.761 40.800 0.036 0.000 0.967 301 D HN 0.364 nan 8.370 nan 0.000 0.496 302 M N 0.353 119.988 119.600 0.058 0.000 2.132 302 M HA -0.148 4.332 4.480 -0.001 0.000 0.263 302 M C 1.331 177.712 176.300 0.134 0.000 1.065 302 M CA 1.310 56.660 55.300 0.084 0.000 1.122 302 M CB 0.178 32.796 32.600 0.031 0.000 1.365 302 M HN -0.112 nan 8.290 nan 0.000 0.411 303 L N 0.257 121.550 121.223 0.116 0.000 2.446 303 L HA 0.241 4.580 4.340 -0.001 0.000 0.219 303 L C 0.685 177.718 176.870 0.272 0.000 1.116 303 L CA 0.814 55.756 54.840 0.171 0.000 0.844 303 L CB -0.384 41.740 42.059 0.109 0.000 0.970 303 L HN 0.469 nan 8.230 nan 0.000 0.457 304 L N -0.521 120.832 121.223 0.217 0.000 3.487 304 L HA -0.206 4.134 4.340 -0.001 0.000 0.450 304 L C -0.264 176.810 176.870 0.340 0.000 1.290 304 L CA 0.098 55.085 54.840 0.246 0.000 0.874 304 L CB -2.038 40.153 42.059 0.220 0.000 1.804 304 L HN 0.189 nan 8.230 nan 0.000 0.831 305 I N -4.529 116.177 120.570 0.227 0.000 3.445 305 I HA 0.880 5.049 4.170 -0.001 0.000 0.303 305 I C 0.823 177.064 176.117 0.207 0.000 1.129 305 I CA -0.446 61.004 61.300 0.250 0.000 0.989 305 I CB 1.784 39.772 38.000 -0.021 0.000 1.314 305 I HN 0.042 nan 8.210 nan 0.000 0.488 306 T N -2.345 112.380 114.554 0.284 0.000 2.876 306 T HA 0.389 4.739 4.350 -0.001 0.000 0.277 306 T C 0.731 175.516 174.700 0.141 0.000 0.997 306 T CA 0.191 62.412 62.100 0.202 0.000 0.966 306 T CB 1.205 70.207 68.868 0.224 0.000 1.312 306 T HN 0.831 nan 8.240 nan 0.000 0.598 307 T N -2.664 111.964 114.554 0.123 0.000 3.001 307 T HA 0.208 4.557 4.350 -0.001 0.000 0.251 307 T C 0.570 175.341 174.700 0.119 0.000 1.040 307 T CA -0.294 61.860 62.100 0.091 0.000 0.985 307 T CB -0.309 68.601 68.868 0.070 0.000 1.011 307 T HN 0.533 nan 8.240 nan 0.000 0.509 308 N N 2.726 121.526 118.700 0.167 0.000 2.439 308 N HA 0.322 5.062 4.740 -0.001 0.000 0.249 308 N C -2.220 173.438 175.510 0.247 0.000 1.003 308 N CA -2.615 50.555 53.050 0.199 0.000 0.942 308 N CB 1.837 40.442 38.487 0.197 0.000 1.115 308 N HN -0.073 nan 8.380 nan 0.000 0.505 309 P HA -0.030 nan 4.420 nan 0.000 0.226 309 P C 0.275 177.620 177.300 0.075 0.000 1.153 309 P CA 0.929 64.094 63.100 0.110 0.000 0.777 309 P CB -0.042 31.623 31.700 -0.059 0.000 0.794 310 Y N -0.419 119.967 120.300 0.143 0.000 2.584 310 Y HA -0.045 4.504 4.550 -0.001 0.000 0.317 310 Y C 1.450 177.355 175.900 0.007 0.000 1.208 310 Y CA 0.696 58.844 58.100 0.079 0.000 1.299 310 Y CB -0.832 37.658 38.460 0.049 0.000 1.047 310 Y HN -0.040 nan 8.280 nan 0.000 0.506 311 D N -1.657 118.785 120.400 0.070 0.000 2.369 311 D HA 0.028 4.668 4.640 -0.001 0.000 0.211 311 D C -0.755 175.028 176.300 -0.862 0.000 1.077 311 D CA 0.496 54.268 54.000 -0.380 0.000 0.842 311 D CB 0.157 40.649 40.800 -0.513 0.000 0.947 311 D HN 0.227 nan 8.370 nan 0.000 0.509 312 Y N -0.157 120.142 120.300 -0.003 0.000 2.705 312 Y HA 0.185 4.735 4.550 -0.001 0.000 0.355 312 Y C 1.102 176.998 175.900 -0.007 0.000 1.039 312 Y CA -1.018 57.050 58.100 -0.053 0.000 1.233 312 Y CB 0.188 38.560 38.460 -0.146 0.000 1.103 312 Y HN -0.151 nan 8.280 nan 0.000 0.624 313 H N 1.154 120.226 119.070 0.003 0.000 2.330 313 H HA -0.306 4.250 4.556 -0.001 0.000 0.290 313 H C 1.336 176.749 175.328 0.141 0.000 1.111 313 H CA 2.548 58.625 56.048 0.048 0.000 1.226 313 H CB -0.018 29.744 29.762 -0.001 0.000 1.355 313 H HN 0.608 nan 8.280 nan 0.000 0.485 314 Y N -0.344 119.843 120.300 -0.189 0.000 2.193 314 Y HA -0.142 4.407 4.550 -0.001 0.000 0.285 314 Y C 2.728 178.441 175.900 -0.313 0.000 1.166 314 Y CA 1.588 59.522 58.100 -0.276 0.000 1.181 314 Y CB -0.800 37.556 38.460 -0.173 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.165 117.670 119.914 -0.131 0.000 3.319 315 V HA 0.312 4.432 4.120 -0.001 0.000 0.317 315 V C 0.571 176.633 176.094 -0.053 0.000 1.411 315 V CA 0.671 62.840 62.300 -0.219 0.000 1.112 315 V CB -0.197 31.287 31.823 -0.565 0.000 1.031 315 V HN 0.320 nan 8.190 nan 0.000 0.448 316 S N -2.043 113.618 115.700 -0.067 0.000 2.901 316 S HA 0.395 4.864 4.470 -0.001 0.000 0.248 316 S C 0.557 175.122 174.600 -0.059 0.000 1.021 316 S CA -0.140 57.999 58.200 -0.102 0.000 1.090 316 S CB 0.152 63.197 63.200 -0.259 0.000 1.039 316 S HN 0.545 nan 8.310 nan 0.000 0.514 317 E N 0.836 120.974 120.200 -0.103 0.000 2.299 317 E HA 0.149 4.499 4.350 -0.001 0.000 0.193 317 E C 1.465 177.989 176.600 -0.127 0.000 0.998 317 E CA 0.698 57.029 56.400 -0.115 0.000 0.851 317 E CB 0.152 29.705 29.700 -0.246 0.000 0.795 317 E HN 0.723 nan 8.360 nan 0.000 0.492 318 G N 0.516 109.228 108.800 -0.147 0.000 3.198 318 G HA2 0.153 4.113 3.960 -0.001 0.000 0.203 318 G HA3 0.153 4.113 3.960 -0.001 0.000 0.203 318 G C 0.075 174.915 174.900 -0.099 0.000 1.950 318 G CA -0.352 44.661 45.100 -0.144 0.000 0.798 318 G HN -0.072 nan 8.290 nan 0.000 0.720 319 E N -0.783 119.336 120.200 -0.134 0.000 2.249 319 E HA 0.531 4.880 4.350 -0.001 0.000 0.263 319 E C 0.458 176.899 176.600 -0.266 0.000 0.950 319 E CA -0.587 55.723 56.400 -0.150 0.000 0.827 319 E CB 2.660 32.275 29.700 -0.143 0.000 1.220 319 E HN 0.262 nan 8.360 nan 0.000 0.411 320 I N -0.387 120.013 120.570 -0.283 0.000 3.971 320 I HA 0.022 4.192 4.170 -0.001 0.000 0.303 320 I C 0.965 176.819 176.117 -0.439 0.000 1.233 320 I CA 0.514 61.566 61.300 -0.412 0.000 1.346 320 I CB 1.010 38.885 38.000 -0.209 0.000 1.273 320 I HN 0.285 nan 8.210 nan 0.000 0.448 321 T N 1.125 115.537 114.554 -0.238 0.000 2.863 321 T HA 0.661 5.011 4.350 -0.001 0.000 0.285 321 T C -1.117 173.498 174.700 -0.142 0.000 1.009 321 T CA -0.479 61.518 62.100 -0.171 0.000 0.989 321 T CB 1.540 70.360 68.868 -0.080 0.000 1.004 321 T HN -0.226 nan 8.240 nan 0.000 0.455 322 V N 7.777 127.616 119.914 -0.125 0.000 2.483 322 V HA 0.343 4.462 4.120 -0.001 0.000 0.297 322 V C -1.625 174.427 176.094 -0.069 0.000 1.027 322 V CA -1.667 60.577 62.300 -0.093 0.000 0.855 322 V CB 1.781 33.547 31.823 -0.095 0.000 0.995 322 V HN 0.719 nan 8.190 nan 0.000 0.424 323 P HA -0.155 nan 4.420 nan 0.000 0.215 323 P C 1.646 178.923 177.300 -0.039 0.000 1.153 323 P CA 1.705 64.780 63.100 -0.041 0.000 0.853 323 P CB 0.165 31.844 31.700 -0.035 0.000 0.788 324 S N -1.100 114.576 115.700 -0.040 0.000 2.603 324 S HA 0.009 4.479 4.470 -0.001 0.000 0.229 324 S C 0.807 175.382 174.600 -0.043 0.000 0.972 324 S CA -0.061 58.118 58.200 -0.034 0.000 0.935 324 S CB -1.235 61.950 63.200 -0.024 0.000 0.769 324 S HN 0.103 nan 8.310 nan 0.000 0.536 325 I N 0.597 121.131 120.570 -0.060 0.000 2.474 325 I HA 0.514 4.684 4.170 -0.001 0.000 0.294 325 I C -1.103 174.975 176.117 -0.066 0.000 1.005 325 I CA -0.907 60.344 61.300 -0.083 0.000 1.113 325 I CB 1.682 39.598 38.000 -0.139 0.000 1.289 325 I HN -0.128 nan 8.210 nan 0.000 0.436 326 D N 4.636 125.002 120.400 -0.057 0.000 2.479 326 D HA 0.167 4.807 4.640 -0.001 0.000 0.247 326 D C 0.733 177.015 176.300 -0.031 0.000 1.119 326 D CA -0.228 53.751 54.000 -0.035 0.000 0.922 326 D CB 0.644 41.430 40.800 -0.023 0.000 1.014 326 D HN 0.396 nan 8.370 nan 0.000 0.510 327 D N 1.877 122.262 120.400 -0.024 0.000 2.203 327 D HA -0.219 4.421 4.640 -0.001 0.000 0.199 327 D C 1.517 177.823 176.300 0.009 0.000 0.997 327 D CA 1.098 55.097 54.000 -0.001 0.000 0.863 327 D CB 0.367 41.192 40.800 0.041 0.000 0.928 327 D HN 0.634 nan 8.370 nan 0.000 0.458 328 Q N 0.494 120.298 119.800 0.007 0.000 2.079 328 Q HA -0.122 4.217 4.340 -0.001 0.000 0.200 328 Q C 2.037 178.042 176.000 0.008 0.000 0.974 328 Q CA 0.787 56.596 55.803 0.009 0.000 0.840 328 Q CB -0.145 28.597 28.738 0.006 0.000 0.898 328 Q HN 0.434 nan 8.270 nan 0.000 0.430 329 E N 0.539 120.740 120.200 0.002 0.000 2.072 329 E HA -0.147 4.203 4.350 -0.001 0.000 0.190 329 E C 1.992 178.598 176.600 0.010 0.000 0.982 329 E CA 0.601 57.004 56.400 0.005 0.000 0.803 329 E CB 0.311 30.011 29.700 -0.001 0.000 0.755 329 E HN 0.278 nan 8.360 nan 0.000 0.453 330 E N 0.747 120.949 120.200 0.003 0.000 2.077 330 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 330 E C 2.310 178.923 176.600 0.022 0.000 0.989 330 E CA 0.548 56.952 56.400 0.007 0.000 0.800 330 E CB -0.406 29.282 29.700 -0.019 0.000 0.746 330 E HN 0.293 nan 8.360 nan 0.000 0.452 331 L N 0.659 121.898 121.223 0.025 0.000 2.051 331 L HA -0.247 4.093 4.340 -0.001 0.000 0.214 331 L C 2.526 179.434 176.870 0.062 0.000 1.076 331 L CA 1.362 56.229 54.840 0.046 0.000 0.758 331 L CB -0.150 41.932 42.059 0.037 0.000 0.890 331 L HN 0.145 nan 8.230 nan 0.000 0.433 332 M N -1.455 118.171 119.600 0.045 0.000 2.156 332 M HA -0.097 4.382 4.480 -0.001 0.000 0.264 332 M C 2.517 178.847 176.300 0.051 0.000 1.067 332 M CA 1.539 56.868 55.300 0.049 0.000 1.131 332 M CB -1.316 31.304 32.600 0.034 0.000 1.368 332 M HN 0.369 nan 8.290 nan 0.000 0.416 333 A N 0.958 123.803 122.820 0.042 0.000 1.892 333 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 333 A C 2.381 179.996 177.584 0.051 0.000 1.188 333 A CA 2.646 54.710 52.037 0.045 0.000 0.631 333 A CB -1.335 17.690 19.000 0.041 0.000 0.822 333 A HN 0.497 nan 8.150 nan 0.000 0.447 334 T N -0.255 114.329 114.554 0.049 0.000 2.622 334 T HA -0.180 4.170 4.350 -0.001 0.000 0.266 334 T C 1.798 176.526 174.700 0.048 0.000 1.047 334 T CA 1.457 63.584 62.100 0.044 0.000 1.159 334 T CB -0.496 68.386 68.868 0.023 0.000 0.863 334 T HN 0.575 nan 8.240 nan 0.000 0.422 335 D N 1.000 121.449 120.400 0.082 0.000 2.137 335 D HA -0.128 4.512 4.640 -0.001 0.000 0.189 335 D C 2.340 178.683 176.300 0.072 0.000 0.998 335 D CA 1.872 55.940 54.000 0.113 0.000 0.839 335 D CB -0.270 40.619 40.800 0.149 0.000 0.962 335 D HN 0.351 nan 8.370 nan 0.000 0.446 336 S N 0.747 116.486 115.700 0.065 0.000 2.387 336 S HA -0.172 4.298 4.470 -0.001 0.000 0.230 336 S C 2.236 176.868 174.600 0.052 0.000 1.035 336 S CA 1.436 59.669 58.200 0.055 0.000 1.014 336 S CB -0.477 62.752 63.200 0.047 0.000 0.836 336 S HN 0.480 nan 8.310 nan 0.000 0.466 337 A N 1.733 124.584 122.820 0.051 0.000 1.902 337 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 337 A C 2.116 179.740 177.584 0.067 0.000 1.181 337 A CA 1.236 53.306 52.037 0.055 0.000 0.623 337 A CB -0.776 18.258 19.000 0.057 0.000 0.818 337 A HN 0.483 nan 8.150 nan 0.000 0.443 338 I N -0.019 120.575 120.570 0.040 0.000 2.127 338 I HA -0.302 3.868 4.170 -0.001 0.000 0.241 338 I C 2.090 178.308 176.117 0.168 0.000 1.075 338 I CA 1.759 63.081 61.300 0.037 0.000 1.334 338 I CB -0.579 37.350 38.000 -0.118 0.000 1.040 338 I HN 0.359 nan 8.210 nan 0.000 0.405 339 D N 1.026 121.485 120.400 0.098 0.000 2.103 339 D HA -0.207 4.432 4.640 -0.001 0.000 0.190 339 D C 2.227 178.571 176.300 0.073 0.000 0.997 339 D CA 1.646 55.701 54.000 0.091 0.000 0.833 339 D CB -0.319 40.520 40.800 0.064 0.000 0.961 339 D HN 0.362 nan 8.370 nan 0.000 0.447 340 I N 0.765 121.370 120.570 0.057 0.000 2.335 340 I HA -0.248 3.921 4.170 -0.001 0.000 0.251 340 I C 2.223 178.349 176.117 0.015 0.000 1.129 340 I CA 0.621 61.940 61.300 0.031 0.000 1.402 340 I CB -0.165 37.853 38.000 0.030 0.000 1.069 340 I HN -0.040 nan 8.210 nan 0.000 0.424 341 L N 0.550 121.804 121.223 0.052 0.000 2.633 341 L HA -0.015 4.324 4.340 -0.001 0.000 0.235 341 L C 1.639 178.431 176.870 -0.130 0.000 1.163 341 L CA 0.880 55.722 54.840 0.004 0.000 0.859 341 L CB -0.602 41.508 42.059 0.086 0.000 0.973 341 L HN 0.505 nan 8.230 nan 0.000 0.451 342 G N -1.241 107.528 108.800 -0.052 0.000 2.143 342 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.249 342 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.249 342 G C 0.222 175.044 174.900 -0.129 0.000 0.981 342 G CA -0.475 44.558 45.100 -0.113 0.000 0.665 342 G HN 0.161 nan 8.290 nan 0.000 0.528 343 F N 1.542 121.427 119.950 -0.107 0.000 2.506 343 F HA 0.522 5.048 4.527 -0.001 0.000 0.351 343 F C 1.370 177.142 175.800 -0.046 0.000 1.136 343 F CA 0.742 58.676 58.000 -0.110 0.000 1.298 343 F CB 1.176 40.092 39.000 -0.140 0.000 1.145 343 F HN 0.073 nan 8.300 nan 0.000 0.593 344 S N 1.764 117.578 115.700 0.191 0.000 2.576 344 S HA 0.354 4.824 4.470 -0.001 0.000 0.276 344 S C 1.093 175.775 174.600 0.136 0.000 1.339 344 S CA -0.147 58.131 58.200 0.130 0.000 1.039 344 S CB 0.928 64.199 63.200 0.118 0.000 0.902 344 S HN 0.779 nan 8.310 nan 0.000 0.516 345 A N 3.636 126.515 122.820 0.097 0.000 1.908 345 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 345 A C 1.768 179.407 177.584 0.091 0.000 1.181 345 A CA 2.277 54.368 52.037 0.090 0.000 0.627 345 A CB -1.234 17.810 19.000 0.073 0.000 0.818 345 A HN 0.961 nan 8.150 nan 0.000 0.445 346 D N -0.148 120.302 120.400 0.084 0.000 2.103 346 D HA -0.126 4.514 4.640 -0.001 0.000 0.190 346 D C 1.152 177.507 176.300 0.092 0.000 0.997 346 D CA 1.391 55.436 54.000 0.074 0.000 0.833 346 D CB -0.123 40.718 40.800 0.069 0.000 0.961 346 D HN 0.673 nan 8.370 nan 0.000 0.447 350 A N 1.994 124.824 122.820 0.018 0.000 1.883 350 A HA 0.015 4.335 4.320 -0.001 0.000 0.217 350 A C 2.098 179.649 177.584 -0.056 0.000 1.186 350 A CA 1.594 53.607 52.037 -0.040 0.000 0.624 350 A CB -0.885 18.066 19.000 -0.083 0.000 0.822 350 A HN 0.536 nan 8.150 nan 0.000 0.444 351 I N -1.580 118.946 120.570 -0.074 0.000 2.118 351 I HA -0.245 3.924 4.170 -0.001 0.000 0.241 351 I C 1.410 177.477 176.117 -0.083 0.000 1.070 351 I CA 1.194 62.399 61.300 -0.158 0.000 1.327 351 I CB -0.917 36.884 38.000 -0.332 0.000 1.034 351 I HN 0.309 nan 8.210 nan 0.000 0.405 355 T N -0.649 113.955 114.554 0.084 0.000 3.035 355 T HA 0.057 4.406 4.350 -0.001 0.000 0.268 355 T C 1.474 176.318 174.700 0.239 0.000 1.109 355 T CA 1.308 63.508 62.100 0.168 0.000 1.119 355 T CB -0.112 68.825 68.868 0.115 0.000 0.900 355 T HN 0.448 nan 8.240 nan 0.000 0.503 356 G N 0.642 109.543 108.800 0.169 0.000 2.545 356 G HA2 0.260 4.220 3.960 -0.001 0.000 0.212 356 G HA3 0.260 4.220 3.960 -0.001 0.000 0.212 356 G C 1.783 176.792 174.900 0.183 0.000 1.144 356 G CA 0.561 45.740 45.100 0.132 0.000 0.813 356 G HN 0.481 nan 8.290 nan 0.000 0.531 357 A N 0.788 123.730 122.820 0.204 0.000 1.892 357 A HA -0.052 4.267 4.320 -0.001 0.000 0.218 357 A C 2.567 180.225 177.584 0.122 0.000 1.188 357 A CA 2.045 54.215 52.037 0.221 0.000 0.631 357 A CB -0.862 18.161 19.000 0.039 0.000 0.822 357 A HN 0.269 nan 8.150 nan 0.000 0.447 358 V N 0.191 120.109 119.914 0.008 0.000 2.324 358 V HA -0.369 3.751 4.120 -0.001 0.000 0.250 358 V C 2.683 178.905 176.094 0.213 0.000 1.060 358 V CA 2.308 64.638 62.300 0.051 0.000 1.042 358 V CB -0.756 31.191 31.823 0.207 0.000 0.650 358 V HN 0.575 nan 8.190 nan 0.000 0.450 359 M N -0.942 118.740 119.600 0.137 0.000 2.086 359 M HA -0.198 4.281 4.480 -0.001 0.000 0.261 359 M C 2.205 178.559 176.300 0.091 0.000 1.067 359 M CA 2.110 57.415 55.300 0.009 0.000 1.116 359 M CB -0.877 31.563 32.600 -0.266 0.000 1.348 359 M HN 0.435 nan 8.290 nan 0.000 0.407 360 H N -1.025 118.198 119.070 0.255 0.000 2.387 360 H HA -0.184 4.371 4.556 -0.001 0.000 0.299 360 H C 1.886 177.353 175.328 0.233 0.000 1.099 360 H CA 1.742 57.949 56.048 0.264 0.000 1.315 360 H CB -0.067 29.865 29.762 0.283 0.000 1.380 360 H HN 0.251 nan 8.280 nan 0.000 0.513 361 Y N 0.209 120.611 120.300 0.169 0.000 2.114 361 Y HA -0.169 4.380 4.550 -0.001 0.000 0.282 361 Y C 2.764 178.578 175.900 -0.144 0.000 1.165 361 Y CA 1.399 59.566 58.100 0.113 0.000 1.148 361 Y CB -0.949 37.661 38.460 0.251 0.000 0.972 361 Y HN 0.265 nan 8.280 nan 0.000 0.504 362 G N -0.888 107.594 108.800 -0.530 0.000 2.586 362 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.215 362 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.215 362 G C 1.383 175.995 174.900 -0.480 0.000 1.128 362 G CA 0.912 45.132 45.100 -1.467 0.000 0.774 362 G HN 0.311 nan 8.290 nan 0.000 0.543 363 N N -0.657 117.925 118.700 -0.196 0.000 2.282 363 N HA 0.129 4.868 4.740 -0.001 0.000 0.185 363 N C 0.257 175.717 175.510 -0.083 0.000 1.099 363 N CA -0.331 52.653 53.050 -0.109 0.000 0.878 363 N CB 0.230 38.684 38.487 -0.054 0.000 0.993 363 N HN 0.135 nan 8.380 nan 0.000 0.481 364 L N 1.401 122.595 121.223 -0.048 0.000 2.513 364 L HA 0.036 4.376 4.340 -0.001 0.000 0.272 364 L C 0.272 177.094 176.870 -0.079 0.000 1.187 364 L CA 0.716 55.499 54.840 -0.096 0.000 0.895 364 L CB 0.175 42.218 42.059 -0.027 0.000 1.147 364 L HN -0.157 nan 8.230 nan 0.000 0.483 365 K N 2.918 123.138 120.400 -0.300 0.000 2.318 365 K HA 0.750 5.070 4.320 -0.001 0.000 0.249 365 K C -1.222 175.021 176.600 -0.595 0.000 0.942 365 K CA -0.284 55.910 56.287 -0.154 0.000 0.808 365 K CB 1.364 33.791 32.500 -0.121 0.000 1.189 365 K HN 0.219 nan 8.250 nan 0.000 0.428 371 R N -0.580 119.928 120.500 0.014 0.000 3.977 371 R HA -0.199 4.141 4.340 -0.001 0.000 0.428 371 R C -0.325 175.984 176.300 0.014 0.000 1.079 371 R CA 1.448 57.555 56.100 0.012 0.000 1.269 371 R CB -0.904 29.402 30.300 0.011 0.000 1.856 371 R HN 0.574 nan 8.270 nan 0.000 0.551 372 E N 0.208 120.418 120.200 0.017 0.000 2.336 372 E HA 0.237 4.587 4.350 -0.001 0.000 0.267 372 E C -0.454 176.154 176.600 0.013 0.000 0.906 372 E CA -0.545 55.867 56.400 0.020 0.000 0.781 372 E CB 1.723 31.444 29.700 0.034 0.000 1.261 372 E HN 0.134 nan 8.360 nan 0.000 0.436 373 E N 0.920 121.124 120.200 0.008 0.000 2.451 373 E HA 0.015 4.365 4.350 -0.001 0.000 0.194 373 E C -0.240 176.348 176.600 -0.020 0.000 1.027 373 E CA -0.064 56.333 56.400 -0.005 0.000 0.914 373 E CB 0.649 30.345 29.700 -0.006 0.000 1.054 373 E HN 0.240 nan 8.360 nan 0.000 0.461 374 Q N 0.163 119.957 119.800 -0.009 0.000 2.221 374 Q HA 0.481 4.820 4.340 -0.001 0.000 0.242 374 Q C -0.951 175.009 176.000 -0.066 0.000 0.940 374 Q CA -0.399 55.382 55.803 -0.038 0.000 0.896 374 Q CB 1.341 30.090 28.738 0.019 0.000 1.226 374 Q HN 0.132 nan 8.270 nan 0.000 0.463 375 A N 2.608 125.336 122.820 -0.154 0.000 2.301 375 A HA 0.512 4.832 4.320 -0.001 0.000 0.298 375 A C -0.998 176.517 177.584 -0.116 0.000 1.185 375 A CA -0.340 51.601 52.037 -0.160 0.000 0.830 375 A CB 0.330 19.139 19.000 -0.319 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.791 123.010 120.200 0.031 0.000 2.272 376 E HA 0.625 4.975 4.350 -0.001 0.000 0.269 376 E C -2.997 173.724 176.600 0.202 0.000 0.877 376 E CA -2.215 54.244 56.400 0.097 0.000 0.755 376 E CB 1.752 31.503 29.700 0.085 0.000 1.192 376 E HN 0.320 nan 8.360 nan 0.000 0.422 377 P HA 0.007 nan 4.420 nan 0.000 0.264 377 P C -0.438 176.815 177.300 -0.078 0.000 1.183 377 P CA 0.119 63.235 63.100 0.026 0.000 0.763 377 P CB 0.510 32.204 31.700 -0.009 0.000 0.807 378 D N 1.670 121.937 120.400 -0.221 0.000 2.460 378 D HA 0.308 4.948 4.640 -0.001 0.000 0.229 378 D C 0.441 176.655 176.300 -0.145 0.000 1.170 378 D CA 0.093 54.010 54.000 -0.138 0.000 0.827 378 D CB -0.495 40.234 40.800 -0.119 0.000 0.973 378 D HN 0.580 nan 8.370 nan 0.000 0.496 379 G N -0.700 108.013 108.800 -0.145 0.000 2.316 379 G HA2 0.095 4.055 3.960 -0.001 0.000 0.468 379 G HA3 0.095 4.055 3.960 -0.001 0.000 0.468 379 G C -0.300 174.525 174.900 -0.124 0.000 1.523 379 G CA -0.314 44.717 45.100 -0.114 0.000 0.972 379 G HN 0.102 nan 8.290 nan 0.000 0.667 380 T N -1.725 112.780 114.554 -0.082 0.000 3.444 380 T HA 0.606 4.955 4.350 -0.001 0.000 0.265 380 T C 0.489 175.152 174.700 -0.062 0.000 1.537 380 T CA 0.047 62.106 62.100 -0.069 0.000 1.530 380 T CB 1.349 70.192 68.868 -0.042 0.000 0.958 380 T HN 0.535 nan 8.240 nan 0.000 0.684 381 E N 0.632 120.787 120.200 -0.074 0.000 2.207 381 E HA 0.066 4.416 4.350 -0.001 0.000 0.197 381 E C 1.556 178.113 176.600 -0.071 0.000 0.914 381 E CA 0.462 56.824 56.400 -0.064 0.000 0.914 381 E CB 0.530 30.194 29.700 -0.061 0.000 0.893 381 E HN 0.393 nan 8.360 nan 0.000 0.479 382 V N 1.245 121.112 119.914 -0.079 0.000 2.599 382 V HA -0.021 4.099 4.120 -0.001 0.000 0.245 382 V C 2.348 178.394 176.094 -0.079 0.000 1.046 382 V CA 1.355 63.607 62.300 -0.080 0.000 1.065 382 V CB -0.222 31.582 31.823 -0.032 0.000 0.703 382 V HN 0.267 nan 8.190 nan 0.000 0.464 383 A N -0.300 122.476 122.820 -0.073 0.000 1.933 383 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 383 A C 1.256 178.837 177.584 -0.006 0.000 1.175 383 A CA 1.274 53.285 52.037 -0.043 0.000 0.628 383 A CB -0.494 18.471 19.000 -0.058 0.000 0.814 383 A HN 0.507 nan 8.150 nan 0.000 0.444 387 A N -0.506 122.414 122.820 0.168 0.000 1.883 387 A HA -0.017 4.303 4.320 -0.001 0.000 0.217 387 A C 2.002 179.683 177.584 0.161 0.000 1.186 387 A CA 2.151 54.283 52.037 0.159 0.000 0.624 387 A CB -0.911 18.162 19.000 0.121 0.000 0.822 387 A HN 1.364 nan 8.150 nan 0.000 0.444 388 Y N -0.241 120.084 120.300 0.042 0.000 2.200 388 Y HA -0.086 4.463 4.550 -0.001 0.000 0.290 388 Y C 1.827 177.753 175.900 0.043 0.000 1.137 388 Y CA 1.447 59.567 58.100 0.034 0.000 1.163 388 Y CB -0.326 38.144 38.460 0.016 0.000 0.988 388 Y HN 0.161 nan 8.280 nan 0.000 0.518 389 L N 0.221 121.395 121.223 -0.082 0.000 2.191 389 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 389 L C 2.029 178.822 176.870 -0.129 0.000 1.103 389 L CA 1.704 56.451 54.840 -0.155 0.000 0.769 389 L CB -0.774 41.329 42.059 0.074 0.000 0.908 389 L HN 0.407 nan 8.230 nan 0.000 0.438 390 M N -2.029 117.542 119.600 -0.050 0.000 2.441 390 M HA 0.253 4.732 4.480 -0.001 0.000 0.244 390 M C 1.048 177.314 176.300 -0.055 0.000 1.122 390 M CA 0.584 55.850 55.300 -0.056 0.000 1.041 390 M CB 0.339 32.934 32.600 -0.007 0.000 1.438 390 M HN 0.298 nan 8.290 nan 0.000 0.484 391 G N 1.972 110.734 108.800 -0.064 0.000 2.248 391 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.263 391 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.263 391 G C -0.657 174.261 174.900 0.031 0.000 1.082 391 G CA -0.278 44.801 45.100 -0.035 0.000 0.863 391 G HN 0.265 nan 8.290 nan 0.000 0.495 392 L N -0.354 120.909 121.223 0.066 0.000 2.260 392 L HA 0.747 5.087 4.340 -0.001 0.000 0.265 392 L C 0.189 177.115 176.870 0.092 0.000 1.015 392 L CA -1.580 53.318 54.840 0.095 0.000 0.826 392 L CB 1.549 43.691 42.059 0.138 0.000 1.373 392 L HN 0.236 nan 8.230 nan 0.000 0.450 393 N N -0.723 118.026 118.700 0.082 0.000 2.443 393 N HA 0.176 4.916 4.740 -0.001 0.000 0.269 393 N C 0.381 175.929 175.510 0.064 0.000 0.985 393 N CA 0.023 53.114 53.050 0.069 0.000 0.921 393 N CB 1.707 40.225 38.487 0.052 0.000 1.195 393 N HN 0.514 nan 8.380 nan 0.000 0.492 394 S N 2.618 118.355 115.700 0.060 0.000 2.378 394 S HA -0.260 4.209 4.470 -0.001 0.000 0.229 394 S C 1.743 176.367 174.600 0.041 0.000 1.052 394 S CA 2.215 60.443 58.200 0.046 0.000 1.084 394 S CB -0.149 63.068 63.200 0.029 0.000 0.950 394 S HN 0.780 nan 8.310 nan 0.000 0.440 395 A N 1.034 123.876 122.820 0.038 0.000 1.832 395 A HA -0.127 4.193 4.320 -0.001 0.000 0.214 395 A C 1.957 179.569 177.584 0.045 0.000 1.200 395 A CA 1.593 53.654 52.037 0.040 0.000 0.610 395 A CB -0.876 18.143 19.000 0.033 0.000 0.842 395 A HN 0.571 nan 8.150 nan 0.000 0.444 396 E N -0.797 119.427 120.200 0.039 0.000 2.147 396 E HA -0.260 4.090 4.350 -0.001 0.000 0.199 396 E C 1.935 178.554 176.600 0.031 0.000 1.005 396 E CA 1.488 57.908 56.400 0.033 0.000 0.810 396 E CB -0.327 29.391 29.700 0.029 0.000 0.736 396 E HN 0.525 nan 8.360 nan 0.000 0.460 397 L N 0.509 121.755 121.223 0.039 0.000 2.005 397 L HA -0.167 4.173 4.340 -0.001 0.000 0.207 397 L C 2.062 178.953 176.870 0.035 0.000 1.072 397 L CA 1.496 56.357 54.840 0.036 0.000 0.744 397 L CB -0.345 41.751 42.059 0.061 0.000 0.895 397 L HN 0.059 nan 8.230 nan 0.000 0.433 398 L N -0.225 121.032 121.223 0.057 0.000 2.275 398 L HA -0.121 4.219 4.340 -0.001 0.000 0.215 398 L C 2.456 179.377 176.870 0.085 0.000 1.119 398 L CA 1.379 56.275 54.840 0.094 0.000 0.790 398 L CB -1.092 41.026 42.059 0.098 0.000 0.919 398 L HN 0.319 nan 8.230 nan 0.000 0.443 399 K N -0.614 119.837 120.400 0.084 0.000 1.980 399 K HA -0.052 4.267 4.320 -0.001 0.000 0.208 399 K C 2.102 178.750 176.600 0.080 0.000 1.043 399 K CA 1.184 57.552 56.287 0.136 0.000 0.938 399 K CB -0.227 32.345 32.500 0.119 0.000 0.724 399 K HN 0.238 nan 8.250 nan 0.000 0.438 400 A N 1.682 124.521 122.820 0.032 0.000 1.940 400 A HA -0.234 4.085 4.320 -0.001 0.000 0.221 400 A C 2.112 179.657 177.584 -0.066 0.000 1.190 400 A CA 1.659 53.685 52.037 -0.018 0.000 0.647 400 A CB -0.728 18.242 19.000 -0.050 0.000 0.821 400 A HN 0.268 nan 8.150 nan 0.000 0.457 401 L N -1.004 120.172 121.223 -0.079 0.000 2.017 401 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 401 L C 2.671 179.386 176.870 -0.259 0.000 1.073 401 L CA 1.928 56.678 54.840 -0.149 0.000 0.745 401 L CB -0.879 41.119 42.059 -0.103 0.000 0.894 401 L HN 0.543 nan 8.230 nan 0.000 0.432 402 C N -2.211 116.921 119.300 -0.280 0.000 2.505 402 C HA -0.027 4.433 4.460 -0.001 0.000 0.279 402 C C 0.868 175.407 174.990 -0.751 0.000 1.316 402 C CA -0.130 58.562 59.018 -0.544 0.000 1.720 402 C CB -0.621 26.784 27.740 -0.558 0.000 2.050 402 C HN 0.406 nan 8.230 nan 0.000 0.493 403 Y N 0.884 121.145 120.300 -0.065 0.000 2.553 403 Y HA 0.307 4.857 4.550 -0.001 0.000 0.369 403 Y C -2.318 173.549 175.900 -0.054 0.000 0.964 403 Y CA -3.198 54.870 58.100 -0.053 0.000 1.156 403 Y CB -0.599 37.840 38.460 -0.036 0.000 1.218 403 Y HN 0.198 nan 8.280 nan 0.000 0.630 404 P HA -0.089 nan 4.420 nan 0.000 0.256 404 P C -0.120 177.189 177.300 0.015 0.000 1.173 404 P CA 0.326 63.415 63.100 -0.018 0.000 0.768 404 P CB 0.377 32.045 31.700 -0.053 0.000 0.758 405 R N 3.612 124.117 120.500 0.009 0.000 2.230 405 R HA 0.402 4.742 4.340 -0.001 0.000 0.337 405 R C -0.640 175.657 176.300 -0.005 0.000 1.063 405 R CA -0.687 55.419 56.100 0.009 0.000 0.935 405 R CB 0.097 30.403 30.300 0.010 0.000 1.121 405 R HN 0.101 nan 8.270 nan 0.000 0.486 406 V N 2.325 122.237 119.914 -0.003 0.000 3.596 406 V HA 0.504 4.623 4.120 -0.001 0.000 0.288 406 V C 1.061 177.154 176.094 -0.003 0.000 1.021 406 V CA -0.173 62.124 62.300 -0.005 0.000 1.020 406 V CB 1.564 33.385 31.823 -0.003 0.000 1.243 406 V HN 0.948 nan 8.190 nan 0.000 0.433 407 G N 0.071 108.870 108.800 -0.002 0.000 4.566 407 G HA2 0.445 4.405 3.960 -0.001 0.000 0.276 407 G HA3 0.445 4.405 3.960 -0.001 0.000 0.276 407 G C -0.972 173.927 174.900 -0.002 0.000 1.248 407 G CA -0.114 44.985 45.100 -0.002 0.000 0.858 407 G HN 0.400 nan 8.290 nan 0.000 0.549 408 V N 1.668 121.581 119.914 -0.002 0.000 2.389 408 V HA 0.688 4.808 4.120 -0.001 0.000 0.264 408 V C 1.220 177.311 176.094 -0.004 0.000 1.049 408 V CA 1.577 63.875 62.300 -0.003 0.000 0.932 408 V CB 0.182 32.005 31.823 -0.001 0.000 1.011 408 V HN 1.199 nan 8.190 nan 0.000 0.475 409 G N 5.436 114.233 108.800 -0.006 0.000 2.846 409 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.225 409 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.225 409 G C 0.276 175.172 174.900 -0.006 0.000 1.285 409 G CA 0.143 45.239 45.100 -0.006 0.000 1.055 409 G HN 0.820 nan 8.290 nan 0.000 0.579 410 N N 2.013 120.710 118.700 -0.005 0.000 2.170 410 N HA 0.196 4.936 4.740 -0.001 0.000 0.222 410 N C 0.578 176.086 175.510 -0.004 0.000 1.218 410 N CA 1.016 54.063 53.050 -0.005 0.000 0.889 410 N CB 0.756 39.240 38.487 -0.005 0.000 1.083 410 N HN 0.967 nan 8.380 nan 0.000 0.520 411 E N 0.340 120.538 120.200 -0.004 0.000 2.573 411 E HA 0.737 5.086 4.350 -0.001 0.000 0.218 411 E C -1.122 175.476 176.600 -0.003 0.000 0.777 411 E CA -1.310 55.088 56.400 -0.004 0.000 0.970 411 E CB 1.173 30.871 29.700 -0.004 0.000 1.666 411 E HN -0.045 nan 8.360 nan 0.000 0.384 412 A N 0.935 123.753 122.820 -0.004 0.000 2.466 412 A HA 0.458 4.778 4.320 -0.001 0.000 0.291 412 A C -0.892 176.690 177.584 -0.003 0.000 1.234 412 A CA -0.699 51.336 52.037 -0.003 0.000 0.752 412 A CB 0.683 19.681 19.000 -0.004 0.000 1.153 412 A HN 0.252 nan 8.150 nan 0.000 0.458 413 V N 3.053 122.966 119.914 -0.001 0.000 2.385 413 V HA 0.287 4.407 4.120 -0.001 0.000 0.269 413 V C 0.967 177.065 176.094 0.006 0.000 1.043 413 V CA -0.097 62.203 62.300 0.001 0.000 0.906 413 V CB 0.721 32.545 31.823 0.001 0.000 0.995 413 V HN 0.880 nan 8.190 nan 0.000 0.467 417 E N 0.095 120.188 120.200 -0.179 0.000 2.281 417 E HA 0.667 5.017 4.350 -0.001 0.000 0.262 417 E C -0.195 176.287 176.600 -0.197 0.000 0.933 417 E CA -0.733 55.558 56.400 -0.183 0.000 0.809 417 E CB 2.172 31.738 29.700 -0.223 0.000 1.242 417 E HN 0.406 nan 8.360 nan 0.000 0.418 418 T N 0.239 114.696 114.554 -0.162 0.000 2.881 418 T HA 0.095 4.444 4.350 -0.001 0.000 0.278 418 T C 1.592 176.164 174.700 -0.213 0.000 0.982 418 T CA -0.704 61.308 62.100 -0.147 0.000 0.989 418 T CB 1.249 70.061 68.868 -0.092 0.000 1.058 418 T HN 0.196 nan 8.240 nan 0.000 0.529 419 V N 1.211 121.013 119.914 -0.186 0.000 2.255 419 V HA -0.180 3.940 4.120 -0.001 0.000 0.247 419 V C 2.683 178.611 176.094 -0.276 0.000 1.051 419 V CA 2.045 64.188 62.300 -0.261 0.000 1.018 419 V CB -1.024 30.713 31.823 -0.142 0.000 0.641 419 V HN 0.939 nan 8.190 nan 0.000 0.445 420 S N -0.466 115.163 115.700 -0.118 0.000 2.419 420 S HA -0.227 4.243 4.470 -0.001 0.000 0.235 420 S C 1.856 176.424 174.600 -0.053 0.000 1.019 420 S CA 1.609 59.791 58.200 -0.031 0.000 0.982 420 S CB -0.347 62.856 63.200 0.005 0.000 0.789 420 S HN 0.730 nan 8.310 nan 0.000 0.490 421 E N 0.430 120.561 120.200 -0.115 0.000 2.158 421 E HA -0.047 4.303 4.350 -0.001 0.000 0.191 421 E C 2.021 178.525 176.600 -0.160 0.000 0.982 421 E CA 0.860 57.193 56.400 -0.113 0.000 0.823 421 E CB -0.128 29.499 29.700 -0.122 0.000 0.766 421 E HN 0.353 nan 8.360 nan 0.000 0.468 422 V N 1.369 121.105 119.914 -0.296 0.000 2.255 422 V HA -0.212 3.908 4.120 -0.001 0.000 0.243 422 V C 2.121 178.092 176.094 -0.205 0.000 1.038 422 V CA 1.668 63.712 62.300 -0.427 0.000 1.008 422 V CB -0.757 30.503 31.823 -0.938 0.000 0.645 422 V HN 0.253 nan 8.190 nan 0.000 0.449 423 H N 0.956 119.955 119.070 -0.118 0.000 2.394 423 H HA -0.173 4.383 4.556 -0.001 0.000 0.297 423 H C 2.268 177.647 175.328 0.084 0.000 1.113 423 H CA 2.011 58.094 56.048 0.058 0.000 1.277 423 H CB -0.647 29.177 29.762 0.104 0.000 1.370 423 H HN 0.579 nan 8.280 nan 0.000 0.506 424 N N -0.197 118.593 118.700 0.149 0.000 2.216 424 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 424 N C 2.125 177.684 175.510 0.082 0.000 1.017 424 N CA 1.114 54.227 53.050 0.105 0.000 0.861 424 N CB 0.063 38.585 38.487 0.059 0.000 0.986 424 N HN 0.307 nan 8.380 nan 0.000 0.428 425 S N 0.610 116.328 115.700 0.031 0.000 2.383 425 S HA -0.061 4.409 4.470 -0.001 0.000 0.227 425 S C 2.116 176.774 174.600 0.096 0.000 1.026 425 S CA 0.634 58.850 58.200 0.027 0.000 0.981 425 S CB -0.699 62.479 63.200 -0.037 0.000 0.818 425 S HN 0.015 nan 8.310 nan 0.000 0.472 426 V N 2.728 122.719 119.914 0.129 0.000 2.233 426 V HA -0.123 3.997 4.120 -0.001 0.000 0.247 426 V C 2.994 179.311 176.094 0.371 0.000 1.050 426 V CA 2.076 64.523 62.300 0.246 0.000 1.010 426 V CB -1.783 30.202 31.823 0.271 0.000 0.637 426 V HN 0.653 nan 8.190 nan 0.000 0.444 427 G N -0.597 108.402 108.800 0.332 0.000 2.469 427 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.220 427 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.220 427 G C 1.714 176.710 174.900 0.159 0.000 1.136 427 G CA 1.215 46.464 45.100 0.249 0.000 0.759 427 G HN 0.659 nan 8.290 nan 0.000 0.562 428 A N 0.294 123.203 122.820 0.147 0.000 1.930 428 A HA 0.169 4.488 4.320 -0.001 0.000 0.217 428 A C 2.420 180.104 177.584 0.168 0.000 1.175 428 A CA 1.244 53.351 52.037 0.118 0.000 0.627 428 A CB -0.276 18.773 19.000 0.082 0.000 0.815 428 A HN 0.365 nan 8.150 nan 0.000 0.443 429 L N -0.434 120.930 121.223 0.236 0.000 2.044 429 L HA 0.048 4.387 4.340 -0.001 0.000 0.205 429 L C 2.048 179.108 176.870 0.316 0.000 1.075 429 L CA 0.382 55.411 54.840 0.316 0.000 0.747 429 L CB -0.935 41.367 42.059 0.405 0.000 0.903 429 L HN 0.383 nan 8.230 nan 0.000 0.435 433 V N 0.181 120.267 119.914 0.287 0.000 2.287 433 V HA -0.290 3.829 4.120 -0.001 0.000 0.248 433 V C 2.220 178.350 176.094 0.061 0.000 1.053 433 V CA 2.666 65.075 62.300 0.182 0.000 1.027 433 V CB -1.094 30.816 31.823 0.145 0.000 0.646 433 V HN 0.625 nan 8.190 nan 0.000 0.447 434 Y N 1.244 121.544 120.300 0.001 0.000 2.081 434 Y HA -0.205 4.344 4.550 -0.001 0.000 0.280 434 Y C 1.830 177.702 175.900 -0.047 0.000 1.163 434 Y CA 1.879 59.968 58.100 -0.019 0.000 1.135 434 Y CB -0.280 38.183 38.460 0.005 0.000 0.970 434 Y HN 0.427 nan 8.280 nan 0.000 0.498 438 F N 2.293 121.993 119.950 -0.416 0.000 2.161 438 F HA -0.163 4.364 4.527 -0.001 0.000 0.300 438 F C 1.362 176.988 175.800 -0.290 0.000 1.089 438 F CA 2.049 59.773 58.000 -0.460 0.000 1.282 438 F CB -0.054 38.678 39.000 -0.447 0.000 1.010 438 F HN 0.251 nan 8.300 nan 0.000 0.485 439 L N -0.777 120.429 121.223 -0.029 0.000 2.017 439 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 439 L C 2.076 178.879 176.870 -0.113 0.000 1.073 439 L CA 1.761 56.551 54.840 -0.082 0.000 0.745 439 L CB -1.943 40.122 42.059 0.010 0.000 0.894 439 L HN 0.502 nan 8.230 nan 0.000 0.432 440 W N 0.193 121.353 121.300 -0.234 0.000 2.333 440 W HA -0.266 4.394 4.660 -0.001 0.000 0.316 440 W C 2.675 179.077 176.519 -0.196 0.000 1.215 440 W CA 1.791 59.020 57.345 -0.193 0.000 1.278 440 W CB -0.417 28.937 29.460 -0.177 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.229 119.164 119.600 -0.345 0.000 2.089 441 M HA -0.301 4.179 4.480 -0.001 0.000 0.257 441 M C 1.873 177.911 176.300 -0.437 0.000 1.071 441 M CA 2.332 57.330 55.300 -0.503 0.000 1.096 441 M CB -0.864 31.375 32.600 -0.602 0.000 1.330 441 M HN -0.066 nan 8.290 nan 0.000 0.403 442 V N 0.465 120.074 119.914 -0.510 0.000 2.255 442 V HA -0.311 3.809 4.120 -0.001 0.000 0.247 442 V C 2.125 178.020 176.094 -0.332 0.000 1.051 442 V CA 2.049 64.093 62.300 -0.427 0.000 1.018 442 V CB -0.554 31.001 31.823 -0.446 0.000 0.641 442 V HN 0.427 nan 8.190 nan 0.000 0.445 443 I N -0.690 119.695 120.570 -0.307 0.000 2.118 443 I HA -0.262 3.907 4.170 -0.001 0.000 0.241 443 I C 2.788 178.693 176.117 -0.353 0.000 1.070 443 I CA 1.579 62.722 61.300 -0.263 0.000 1.327 443 I CB -0.431 37.458 38.000 -0.186 0.000 1.034 443 I HN 0.187 nan 8.210 nan 0.000 0.405 444 R N 0.387 120.567 120.500 -0.534 0.000 2.105 444 R HA -0.133 4.206 4.340 -0.001 0.000 0.239 444 R C 2.200 178.124 176.300 -0.628 0.000 1.135 444 R CA 1.474 57.160 56.100 -0.690 0.000 0.967 444 R CB -0.714 28.914 30.300 -1.120 0.000 0.861 444 R HN 0.445 nan 8.270 nan 0.000 0.442 445 I N 1.221 121.500 120.570 -0.486 0.000 2.113 445 I HA -0.317 3.852 4.170 -0.001 0.000 0.238 445 I C 1.957 177.904 176.117 -0.283 0.000 1.070 445 I CA 1.226 62.316 61.300 -0.350 0.000 1.332 445 I CB -0.549 37.316 38.000 -0.225 0.000 1.044 445 I HN 0.130 nan 8.210 nan 0.000 0.402 446 N N 1.100 119.652 118.700 -0.246 0.000 2.133 446 N HA -0.277 4.463 4.740 -0.001 0.000 0.193 446 N C 1.839 177.227 175.510 -0.204 0.000 1.012 446 N CA 1.867 54.798 53.050 -0.199 0.000 0.871 446 N CB -0.464 37.914 38.487 -0.182 0.000 1.011 446 N HN 0.600 nan 8.380 nan 0.000 0.435 447 Q N 0.082 119.736 119.800 -0.245 0.000 2.124 447 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 447 Q C 1.663 177.535 176.000 -0.214 0.000 0.977 447 Q CA 1.328 56.996 55.803 -0.225 0.000 0.850 447 Q CB -0.292 28.324 28.738 -0.204 0.000 0.901 447 Q HN 0.201 nan 8.270 nan 0.000 0.429 448 Q N 0.356 120.007 119.800 -0.249 0.000 2.137 448 Q HA 0.036 4.376 4.340 -0.001 0.000 0.198 448 Q C 1.430 177.334 176.000 -0.161 0.000 0.960 448 Q CA 0.716 56.394 55.803 -0.209 0.000 0.847 448 Q CB 0.106 28.702 28.738 -0.237 0.000 0.915 448 Q HN 0.299 nan 8.270 nan 0.000 0.448 449 L N 1.197 122.323 121.223 -0.162 0.000 2.749 449 L HA 0.021 4.360 4.340 -0.001 0.000 0.245 449 L C -0.309 176.480 176.870 -0.135 0.000 1.156 449 L CA 0.842 55.603 54.840 -0.133 0.000 0.890 449 L CB -0.773 41.211 42.059 -0.126 0.000 1.036 449 L HN 0.056 nan 8.230 nan 0.000 0.441 450 D N -0.597 119.718 120.400 -0.142 0.000 2.280 450 D HA 0.384 5.024 4.640 -0.001 0.000 0.236 450 D C 0.187 176.414 176.300 -0.121 0.000 1.082 450 D CA -0.021 53.893 54.000 -0.142 0.000 0.834 450 D CB 1.145 41.860 40.800 -0.142 0.000 1.100 450 D HN 0.157 nan 8.370 nan 0.000 0.486 451 T N -0.040 114.442 114.554 -0.119 0.000 2.940 451 T HA 0.442 4.792 4.350 -0.001 0.000 0.288 451 T C 1.032 175.677 174.700 -0.092 0.000 1.045 451 T CA -0.764 61.280 62.100 -0.094 0.000 1.018 451 T CB 1.951 70.772 68.868 -0.078 0.000 1.151 451 T HN 0.153 nan 8.240 nan 0.000 0.529 452 K N -0.092 120.265 120.400 -0.072 0.000 2.211 452 K HA 0.065 4.385 4.320 -0.001 0.000 0.201 452 K C 0.750 177.315 176.600 -0.058 0.000 1.052 452 K CA 0.307 56.556 56.287 -0.064 0.000 0.973 452 K CB 0.021 32.491 32.500 -0.051 0.000 0.766 452 K HN 0.655 nan 8.250 nan 0.000 0.466 453 Q N 2.187 121.956 119.800 -0.051 0.000 2.342 453 Q HA -0.024 4.315 4.340 -0.001 0.000 0.330 453 Q C -2.331 173.640 176.000 -0.048 0.000 1.117 453 Q CA -1.111 54.668 55.803 -0.040 0.000 1.010 453 Q CB -0.640 28.081 28.738 -0.028 0.000 1.204 453 Q HN 0.020 nan 8.270 nan 0.000 0.400 454 P HA 0.087 nan 4.420 nan 0.000 0.272 454 P C -0.958 176.315 177.300 -0.045 0.000 1.223 454 P CA -0.006 63.067 63.100 -0.045 0.000 0.784 454 P CB 0.618 32.294 31.700 -0.039 0.000 0.923 455 R N 1.304 121.774 120.500 -0.051 0.000 2.561 455 R HA 0.376 4.716 4.340 -0.001 0.000 0.297 455 R C 0.656 176.910 176.300 -0.077 0.000 0.969 455 R CA -0.610 55.475 56.100 -0.025 0.000 0.879 455 R CB 1.942 32.250 30.300 0.014 0.000 1.178 455 R HN 0.400 nan 8.270 nan 0.000 0.445 456 Q N 1.037 120.693 119.800 -0.240 0.000 2.431 456 Q HA 0.181 4.520 4.340 -0.001 0.000 0.244 456 Q C -0.565 175.105 176.000 -0.550 0.000 0.880 456 Q CA 0.735 56.214 55.803 -0.541 0.000 0.954 456 Q CB 0.889 29.047 28.738 -0.965 0.000 1.105 456 Q HN 0.552 nan 8.270 nan 0.000 0.558 457 Y N -1.011 119.403 120.300 0.190 0.000 2.670 457 Y HA 0.507 5.057 4.550 -0.001 0.000 0.334 457 Y C -0.663 175.374 175.900 0.228 0.000 1.185 457 Y CA -2.000 56.191 58.100 0.152 0.000 1.053 457 Y CB 0.772 39.251 38.460 0.032 0.000 1.298 457 Y HN -0.038 nan 8.280 nan 0.000 0.459 458 F N -0.825 119.239 119.950 0.191 0.000 2.650 458 F HA 0.911 5.437 4.527 -0.001 0.000 0.320 458 F C -1.898 173.923 175.800 0.034 0.000 1.091 458 F CA -1.852 56.116 58.000 -0.053 0.000 0.962 458 F CB 1.644 40.256 39.000 -0.648 0.000 1.363 458 F HN 0.354 nan 8.300 nan 0.000 0.482 459 I N 1.819 122.490 120.570 0.168 0.000 2.439 459 I HA 0.494 4.663 4.170 -0.001 0.000 0.283 459 I C 0.009 176.188 176.117 0.103 0.000 1.023 459 I CA -0.733 60.586 61.300 0.032 0.000 1.100 459 I CB 1.679 39.640 38.000 -0.064 0.000 1.238 459 I HN 0.983 nan 8.210 nan 0.000 0.445 460 G N 5.793 114.705 108.800 0.186 0.000 2.353 460 G HA2 0.519 4.478 3.960 -0.001 0.000 0.284 460 G HA3 0.519 4.478 3.960 -0.001 0.000 0.284 460 G C -0.658 174.327 174.900 0.141 0.000 1.172 460 G CA -0.225 44.929 45.100 0.091 0.000 0.854 460 G HN 0.327 nan 8.290 nan 0.000 0.485 461 V N 3.947 123.879 119.914 0.029 0.000 2.326 461 V HA 0.319 4.439 4.120 -0.001 0.000 0.281 461 V C -0.169 176.105 176.094 0.300 0.000 1.015 461 V CA -0.689 61.712 62.300 0.168 0.000 0.823 461 V CB 1.035 32.944 31.823 0.144 0.000 1.009 461 V HN 0.705 nan 8.190 nan 0.000 0.436 462 L N 4.511 125.983 121.223 0.414 0.000 2.282 462 L HA 0.765 5.105 4.340 -0.001 0.000 0.288 462 L C -0.631 176.398 176.870 0.265 0.000 1.033 462 L CA 0.345 55.460 54.840 0.458 0.000 0.807 462 L CB 1.459 43.727 42.059 0.348 0.000 1.209 462 L HN 0.645 nan 8.230 nan 0.000 0.423 463 D N 6.361 126.913 120.400 0.253 0.000 2.549 463 D HA 0.564 5.204 4.640 -0.001 0.000 0.251 463 D C -1.002 175.394 176.300 0.159 0.000 1.153 463 D CA -0.099 54.002 54.000 0.168 0.000 0.861 463 D CB 1.062 41.943 40.800 0.134 0.000 1.207 463 D HN 0.616 nan 8.370 nan 0.000 0.543 464 I N 0.937 121.577 120.570 0.117 0.000 3.181 464 I HA 0.517 4.687 4.170 -0.001 0.000 0.311 464 I C -0.218 175.946 176.117 0.079 0.000 1.287 464 I CA -1.329 60.033 61.300 0.103 0.000 0.958 464 I CB 1.908 39.959 38.000 0.086 0.000 1.294 464 I HN 0.427 nan 8.210 nan 0.000 0.467 465 A N 1.030 123.895 122.820 0.075 0.000 2.304 465 A HA 0.783 5.102 4.320 -0.001 0.000 0.271 465 A C 0.082 177.714 177.584 0.079 0.000 1.091 465 A CA -0.009 52.069 52.037 0.069 0.000 0.812 465 A CB 0.581 19.622 19.000 0.068 0.000 1.056 465 A HN 0.864 nan 8.150 nan 0.000 0.489 466 G N -1.006 107.840 108.800 0.077 0.000 2.441 466 G HA2 0.487 4.447 3.960 -0.001 0.000 0.334 466 G HA3 0.487 4.447 3.960 -0.001 0.000 0.334 466 G C -0.529 174.436 174.900 0.108 0.000 1.161 466 G CA -0.715 44.450 45.100 0.108 0.000 0.935 466 G HN 0.623 nan 8.290 nan 0.000 0.488 467 F N 0.966 120.896 119.950 -0.032 0.000 2.473 467 F HA 0.045 4.572 4.527 -0.001 0.000 0.405 467 F C 0.791 176.481 175.800 -0.183 0.000 0.988 467 F CA 0.740 58.668 58.000 -0.120 0.000 1.096 467 F CB 0.189 39.102 39.000 -0.145 0.000 0.944 467 F HN 0.315 nan 8.300 nan 0.000 0.530 468 E N 6.318 126.342 120.200 -0.293 0.000 2.222 468 E HA 0.468 4.818 4.350 -0.001 0.000 0.267 468 E C -0.891 175.185 176.600 -0.874 0.000 0.884 468 E CA -0.940 55.157 56.400 -0.504 0.000 0.764 468 E CB 2.085 31.466 29.700 -0.531 0.000 1.169 468 E HN 0.466 nan 8.360 nan 0.000 0.413 469 I N 3.401 123.504 120.570 -0.778 0.000 2.378 469 I HA 0.382 4.552 4.170 -0.001 0.000 0.291 469 I C -0.917 174.777 176.117 -0.704 0.000 0.992 469 I CA -0.528 60.386 61.300 -0.642 0.000 1.154 469 I CB 0.682 38.551 38.000 -0.217 0.000 1.315 469 I HN 0.342 nan 8.210 nan 0.000 0.448 470 F N 2.742 122.630 119.950 -0.103 0.000 2.593 470 F HA 0.328 4.855 4.527 -0.001 0.000 0.320 470 F C 1.340 177.119 175.800 -0.034 0.000 1.060 470 F CA -1.021 56.953 58.000 -0.042 0.000 0.940 470 F CB 0.827 39.831 39.000 0.007 0.000 1.268 470 F HN 0.476 nan 8.300 nan 0.000 0.475 471 D N 0.238 120.782 120.400 0.239 0.000 2.218 471 D HA -0.194 4.445 4.640 -0.001 0.000 0.204 471 D C 0.143 176.561 176.300 0.196 0.000 0.976 471 D CA 1.411 55.501 54.000 0.149 0.000 0.853 471 D CB -0.013 40.866 40.800 0.132 0.000 0.939 471 D HN 0.219 nan 8.370 nan 0.000 0.481 472 F N 2.110 122.122 119.950 0.103 0.000 2.382 472 F HA 0.309 4.835 4.527 -0.001 0.000 0.361 472 F C -0.731 175.150 175.800 0.134 0.000 1.109 472 F CA -1.070 56.981 58.000 0.085 0.000 1.031 472 F CB 0.719 39.749 39.000 0.050 0.000 1.234 472 F HN -0.327 nan 8.300 nan 0.000 0.445 473 N N 4.753 123.228 118.700 -0.374 0.000 2.446 473 N HA 0.227 4.967 4.740 -0.001 0.000 0.265 473 N C -0.813 174.594 175.510 -0.171 0.000 0.975 473 N CA -0.250 52.676 53.050 -0.208 0.000 0.928 473 N CB 2.042 40.304 38.487 -0.375 0.000 1.160 473 N HN 0.469 nan 8.380 nan 0.000 0.495 474 S N 0.686 116.401 115.700 0.025 0.000 2.776 474 S HA 0.352 4.821 4.470 -0.001 0.000 0.306 474 S C 1.076 175.799 174.600 0.204 0.000 1.114 474 S CA -0.592 57.779 58.200 0.284 0.000 0.973 474 S CB 0.533 63.926 63.200 0.322 0.000 1.250 474 S HN 0.449 nan 8.310 nan 0.000 0.549 475 F N 2.305 121.942 119.950 -0.521 0.000 2.085 475 F HA -0.211 4.316 4.527 -0.001 0.000 0.299 475 F C 1.857 177.368 175.800 -0.483 0.000 1.096 475 F CA 2.774 60.038 58.000 -1.226 0.000 1.227 475 F CB -0.793 37.326 39.000 -1.467 0.000 0.983 475 F HN 0.677 nan 8.300 nan 0.000 0.482 476 E N 0.025 120.007 120.200 -0.364 0.000 2.160 476 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 476 E C 2.012 178.472 176.600 -0.234 0.000 0.991 476 E CA 1.639 57.810 56.400 -0.381 0.000 0.810 476 E CB -0.515 29.096 29.700 -0.149 0.000 0.742 476 E HN 0.514 nan 8.360 nan 0.000 0.466 477 Q N 0.039 119.809 119.800 -0.051 0.000 2.079 477 Q HA -0.067 4.273 4.340 -0.001 0.000 0.200 477 Q C 2.074 178.120 176.000 0.076 0.000 0.974 477 Q CA 0.821 56.655 55.803 0.052 0.000 0.840 477 Q CB -0.294 28.533 28.738 0.147 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.001 121.285 121.223 0.101 0.000 1.989 478 L HA -0.228 4.111 4.340 -0.001 0.000 0.211 478 L C 1.923 178.848 176.870 0.092 0.000 1.071 478 L CA 1.890 56.730 54.840 -0.001 0.000 0.749 478 L CB -0.872 41.052 42.059 -0.226 0.000 0.890 478 L HN 0.341 nan 8.230 nan 0.000 0.431 479 C N -0.569 118.671 119.300 -0.101 0.000 2.401 479 C HA -0.169 4.291 4.460 -0.001 0.000 0.276 479 C C 2.679 177.769 174.990 0.166 0.000 1.233 479 C CA 0.976 59.968 59.018 -0.044 0.000 1.753 479 C CB -1.214 25.966 27.740 -0.933 0.000 2.029 479 C HN 0.641 nan 8.230 nan 0.000 0.478 480 I N 1.426 121.999 120.570 0.005 0.000 2.233 480 I HA -0.150 4.020 4.170 -0.001 0.000 0.243 480 I C 2.288 178.469 176.117 0.106 0.000 1.093 480 I CA 1.545 62.882 61.300 0.063 0.000 1.380 480 I CB -0.459 37.539 38.000 -0.003 0.000 1.067 480 I HN 0.400 nan 8.210 nan 0.000 0.413 481 N N -0.153 118.554 118.700 0.012 0.000 2.104 481 N HA -0.267 4.472 4.740 -0.001 0.000 0.190 481 N C 1.944 177.649 175.510 0.326 0.000 1.024 481 N CA 1.342 54.347 53.050 -0.075 0.000 0.853 481 N CB -0.329 37.874 38.487 -0.474 0.000 1.008 481 N HN 0.238 nan 8.380 nan 0.000 0.424 482 F N 2.503 122.601 119.950 0.247 0.000 2.161 482 F HA -0.152 4.374 4.527 -0.001 0.000 0.300 482 F C 2.253 178.217 175.800 0.273 0.000 1.089 482 F CA 1.243 59.430 58.000 0.313 0.000 1.282 482 F CB -0.831 38.379 39.000 0.351 0.000 1.010 482 F HN -0.081 nan 8.300 nan 0.000 0.485 483 T N 0.640 115.279 114.554 0.142 0.000 2.708 483 T HA -0.186 4.164 4.350 -0.001 0.000 0.266 483 T C 1.864 176.565 174.700 0.002 0.000 1.037 483 T CA 1.544 63.606 62.100 -0.063 0.000 1.146 483 T CB -0.390 68.522 68.868 0.074 0.000 0.865 483 T HN 0.291 nan 8.240 nan 0.000 0.435 484 N N 0.842 119.641 118.700 0.165 0.000 2.142 484 N HA -0.016 4.723 4.740 -0.001 0.000 0.186 484 N C 1.151 176.893 175.510 0.387 0.000 1.023 484 N CA 0.624 53.837 53.050 0.270 0.000 0.852 484 N CB -0.176 38.527 38.487 0.361 0.000 0.998 484 N HN 0.565 nan 8.380 nan 0.000 0.424 488 Q N 0.833 120.749 119.800 0.194 0.000 2.030 488 Q HA -0.229 4.111 4.340 -0.001 0.000 0.204 488 Q C 2.051 178.151 176.000 0.168 0.000 0.986 488 Q CA 2.662 58.486 55.803 0.033 0.000 0.843 488 Q CB -0.227 28.288 28.738 -0.371 0.000 0.904 488 Q HN 0.498 nan 8.270 nan 0.000 0.420 489 Q N -1.367 118.545 119.800 0.187 0.000 2.234 489 Q HA -0.180 4.160 4.340 -0.001 0.000 0.206 489 Q C 1.754 177.930 176.000 0.294 0.000 0.980 489 Q CA 1.360 57.291 55.803 0.213 0.000 0.869 489 Q CB -0.269 28.580 28.738 0.184 0.000 0.912 489 Q HN 0.477 nan 8.270 nan 0.000 0.436 490 F N 0.205 120.264 119.950 0.182 0.000 2.186 490 F HA -0.156 4.371 4.527 -0.001 0.000 0.299 490 F C 1.569 177.587 175.800 0.363 0.000 1.090 490 F CA 1.097 59.226 58.000 0.214 0.000 1.307 490 F CB -0.472 38.649 39.000 0.202 0.000 1.019 490 F HN 0.192 nan 8.300 nan 0.000 0.489 491 F N 1.328 121.322 119.950 0.074 0.000 2.074 491 F HA -0.091 4.436 4.527 -0.001 0.000 0.290 491 F C 2.128 177.920 175.800 -0.012 0.000 1.118 491 F CA 1.854 59.784 58.000 -0.117 0.000 1.199 491 F CB -1.071 37.699 39.000 -0.383 0.000 1.012 491 F HN -0.141 nan 8.300 nan 0.000 0.472 492 N N -0.359 118.409 118.700 0.114 0.000 2.242 492 N HA -0.295 4.445 4.740 -0.001 0.000 0.191 492 N C 1.640 177.257 175.510 0.178 0.000 1.005 492 N CA 1.846 54.951 53.050 0.092 0.000 0.877 492 N CB -0.663 37.961 38.487 0.227 0.000 0.983 492 N HN 0.630 nan 8.380 nan 0.000 0.439 493 H N -1.258 117.844 119.070 0.054 0.000 2.329 493 H HA -0.005 4.551 4.556 -0.001 0.000 0.306 493 H C 2.108 177.498 175.328 0.103 0.000 1.062 493 H CA 1.536 57.632 56.048 0.080 0.000 1.364 493 H CB -0.224 29.566 29.762 0.045 0.000 1.409 493 H HN 0.331 nan 8.280 nan 0.000 0.519 494 H N -0.334 118.751 119.070 0.024 0.000 2.426 494 H HA -0.146 4.410 4.556 -0.001 0.000 0.298 494 H C 2.199 177.422 175.328 -0.176 0.000 1.107 494 H CA 2.059 58.045 56.048 -0.102 0.000 1.298 494 H CB -0.157 29.463 29.762 -0.236 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.172 118.261 119.600 -0.277 0.000 2.288 495 M HA -0.059 4.420 4.480 -0.001 0.000 0.266 495 M C 1.697 178.005 176.300 0.014 0.000 1.072 495 M CA 1.049 56.153 55.300 -0.326 0.000 1.132 495 M CB -0.088 32.173 32.600 -0.564 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.166 120.148 119.950 0.054 0.000 2.163 496 F HA -0.117 4.410 4.527 -0.001 0.000 0.297 496 F C 1.739 177.503 175.800 -0.061 0.000 1.094 496 F CA 1.144 59.272 58.000 0.212 0.000 1.290 496 F CB -0.379 38.582 39.000 -0.065 0.000 1.017 496 F HN -0.192 nan 8.300 nan 0.000 0.483 497 V N 0.727 120.569 119.914 -0.121 0.000 2.261 497 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 497 V C 2.417 178.301 176.094 -0.350 0.000 1.047 497 V CA 1.965 64.076 62.300 -0.314 0.000 1.015 497 V CB -0.861 30.852 31.823 -0.184 0.000 0.642 497 V HN 0.407 nan 8.190 nan 0.000 0.446 498 L N -0.274 120.732 121.223 -0.361 0.000 1.989 498 L HA -0.176 4.164 4.340 -0.001 0.000 0.211 498 L C 2.634 179.303 176.870 -0.335 0.000 1.071 498 L CA 1.968 56.579 54.840 -0.382 0.000 0.749 498 L CB -0.688 41.082 42.059 -0.481 0.000 0.890 498 L HN 0.273 nan 8.230 nan 0.000 0.431 499 E N -0.396 119.638 120.200 -0.276 0.000 2.035 499 E HA -0.354 3.995 4.350 -0.001 0.000 0.204 499 E C 2.078 178.425 176.600 -0.422 0.000 1.025 499 E CA 1.837 58.027 56.400 -0.349 0.000 0.835 499 E CB -0.517 29.126 29.700 -0.095 0.000 0.764 499 E HN 0.642 nan 8.360 nan 0.000 0.457 500 Q N 0.459 120.191 119.800 -0.113 0.000 2.376 500 Q HA -0.220 4.120 4.340 -0.001 0.000 0.211 500 Q C 1.810 177.683 176.000 -0.211 0.000 0.986 500 Q CA 1.600 57.330 55.803 -0.121 0.000 0.886 500 Q CB -0.031 28.376 28.738 -0.551 0.000 0.927 500 Q HN 0.300 nan 8.270 nan 0.000 0.457 501 E N -0.219 119.814 120.200 -0.278 0.000 2.076 501 E HA -0.182 4.168 4.350 -0.001 0.000 0.190 501 E C 1.700 178.152 176.600 -0.245 0.000 0.979 501 E CA 0.896 57.159 56.400 -0.229 0.000 0.807 501 E CB 0.167 29.729 29.700 -0.231 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N -0.165 119.793 120.200 -0.403 0.000 2.012 502 E HA -0.148 4.201 4.350 -0.001 0.000 0.197 502 E C 0.067 176.513 176.600 -0.256 0.000 1.007 502 E CA 1.002 57.119 56.400 -0.472 0.000 0.816 502 E CB -0.265 28.942 29.700 -0.821 0.000 0.762 502 E HN 0.106 nan 8.360 nan 0.000 0.451 507 G N 1.229 110.043 108.800 0.024 0.000 2.148 507 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.157 507 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.157 507 G C 0.186 175.092 174.900 0.009 0.000 1.012 507 G CA 0.065 45.173 45.100 0.014 0.000 0.677 507 G HN 0.146 nan 8.290 nan 0.000 0.506 508 I N 0.257 120.836 120.570 0.016 0.000 2.945 508 I HA 0.340 4.510 4.170 -0.001 0.000 0.292 508 I C 0.788 176.921 176.117 0.027 0.000 1.093 508 I CA -0.148 61.137 61.300 -0.025 0.000 1.336 508 I CB 0.963 38.880 38.000 -0.137 0.000 1.435 508 I HN 0.052 nan 8.210 nan 0.000 0.593 509 E N 4.404 124.625 120.200 0.036 0.000 2.267 509 E HA 0.182 4.532 4.350 -0.001 0.000 0.241 509 E C -1.591 175.141 176.600 0.220 0.000 0.950 509 E CA -0.316 56.140 56.400 0.092 0.000 0.776 509 E CB 0.764 30.504 29.700 0.066 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.426 124.669 121.300 -0.095 0.000 2.619 510 W HA 0.306 4.966 4.660 -0.001 0.000 0.327 510 W C -0.849 175.778 176.519 0.180 0.000 1.027 510 W CA -0.644 56.667 57.345 -0.056 0.000 1.233 510 W CB 1.470 30.675 29.460 -0.425 0.000 1.370 510 W HN 0.343 nan 8.180 nan 0.000 0.453 511 E N 4.603 124.591 120.200 -0.352 0.000 2.179 511 E HA 0.501 4.850 4.350 -0.001 0.000 0.275 511 E C -1.067 175.368 176.600 -0.276 0.000 0.945 511 E CA -0.596 55.645 56.400 -0.266 0.000 0.792 511 E CB 1.970 31.536 29.700 -0.224 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.144 119.611 119.950 -0.326 0.000 2.688 512 F HA 0.508 5.035 4.527 -0.001 0.000 0.308 512 F C -1.338 174.438 175.800 -0.040 0.000 1.117 512 F CA -1.230 56.621 58.000 -0.248 0.000 0.976 512 F CB 0.479 39.336 39.000 -0.238 0.000 1.291 512 F HN 0.313 nan 8.300 nan 0.000 0.439 513 I N 2.493 123.039 120.570 -0.040 0.000 2.638 513 I HA 0.095 4.264 4.170 -0.001 0.000 0.286 513 I C 0.495 176.337 176.117 -0.458 0.000 1.088 513 I CA -0.056 61.145 61.300 -0.165 0.000 1.397 513 I CB 0.437 38.355 38.000 -0.137 0.000 1.414 513 I HN 0.705 nan 8.210 nan 0.000 0.566 514 D N 4.586 124.329 120.400 -1.094 0.000 2.571 514 D HA -0.142 4.497 4.640 -0.001 0.000 0.231 514 D C 0.555 176.364 176.300 -0.819 0.000 1.133 514 D CA 0.709 53.597 54.000 -1.854 0.000 0.862 514 D CB 0.541 40.603 40.800 -1.229 0.000 1.179 514 D HN 0.264 nan 8.370 nan 0.000 0.474 515 F N 1.721 121.541 119.950 -0.216 0.000 2.710 515 F HA 0.153 4.680 4.527 -0.001 0.000 0.298 515 F C 2.388 178.179 175.800 -0.015 0.000 1.137 515 F CA 0.276 58.272 58.000 -0.007 0.000 1.444 515 F CB -0.226 38.822 39.000 0.079 0.000 1.111 515 F HN 0.496 nan 8.300 nan 0.000 0.580 516 G N 0.305 109.156 108.800 0.085 0.000 2.421 516 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.216 516 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.216 516 G C 1.729 176.675 174.900 0.077 0.000 1.171 516 G CA 0.856 46.025 45.100 0.115 0.000 0.775 516 G HN 0.327 nan 8.290 nan 0.000 0.543 517 M N 0.621 120.224 119.600 0.005 0.000 2.201 517 M HA -0.221 4.258 4.480 -0.001 0.000 0.251 517 M C 1.803 178.131 176.300 0.047 0.000 1.090 517 M CA 2.217 57.517 55.300 0.000 0.000 1.063 517 M CB -0.274 32.288 32.600 -0.064 0.000 1.360 517 M HN 0.147 nan 8.290 nan 0.000 0.401 518 D N -0.153 120.293 120.400 0.076 0.000 2.218 518 D HA -0.104 4.536 4.640 -0.001 0.000 0.204 518 D C 1.621 177.989 176.300 0.113 0.000 0.976 518 D CA 1.318 55.377 54.000 0.098 0.000 0.853 518 D CB 0.011 40.887 40.800 0.127 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.179 121.479 121.223 0.128 0.000 2.477 519 L HA 0.160 4.500 4.340 -0.001 0.000 0.220 519 L C 2.326 179.282 176.870 0.142 0.000 1.106 519 L CA 0.265 55.200 54.840 0.158 0.000 0.851 519 L CB -0.407 41.771 42.059 0.198 0.000 0.994 519 L HN -0.146 nan 8.230 nan 0.000 0.462 520 A N 0.514 123.400 122.820 0.110 0.000 1.997 520 A HA -0.247 4.072 4.320 -0.001 0.000 0.221 520 A C 2.568 180.209 177.584 0.094 0.000 1.172 520 A CA 1.932 54.028 52.037 0.098 0.000 0.645 520 A CB -0.748 18.293 19.000 0.068 0.000 0.813 520 A HN 0.386 nan 8.150 nan 0.000 0.454 521 A N -1.046 121.826 122.820 0.086 0.000 1.851 521 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 521 A C 2.468 180.097 177.584 0.075 0.000 1.195 521 A CA 1.843 53.925 52.037 0.075 0.000 0.622 521 A CB -1.514 17.530 19.000 0.073 0.000 0.831 521 A HN 0.852 nan 8.150 nan 0.000 0.444 522 C N -0.609 118.747 119.300 0.093 0.000 2.432 522 C HA -0.080 4.379 4.460 -0.001 0.000 0.277 522 C C 2.611 177.665 174.990 0.106 0.000 1.249 522 C CA 1.083 60.146 59.018 0.076 0.000 1.725 522 C CB -1.550 26.225 27.740 0.059 0.000 2.028 522 C HN 0.582 nan 8.230 nan 0.000 0.477 523 I N 1.471 122.150 120.570 0.182 0.000 2.127 523 I HA -0.224 3.946 4.170 -0.001 0.000 0.241 523 I C 2.607 178.824 176.117 0.167 0.000 1.075 523 I CA 2.126 63.584 61.300 0.264 0.000 1.334 523 I CB -0.641 37.524 38.000 0.275 0.000 1.040 523 I HN 0.466 nan 8.210 nan 0.000 0.405 524 E N 0.690 120.956 120.200 0.109 0.000 2.097 524 E HA -0.299 4.051 4.350 -0.001 0.000 0.196 524 E C 2.228 178.837 176.600 0.014 0.000 1.000 524 E CA 1.398 57.840 56.400 0.070 0.000 0.804 524 E CB -0.713 29.024 29.700 0.060 0.000 0.740 524 E HN 0.412 nan 8.360 nan 0.000 0.454 525 L N 1.031 122.237 121.223 -0.028 0.000 2.127 525 L HA -0.133 4.206 4.340 -0.001 0.000 0.211 525 L C 2.195 178.924 176.870 -0.235 0.000 1.089 525 L CA 1.369 56.122 54.840 -0.145 0.000 0.757 525 L CB -0.105 41.870 42.059 -0.140 0.000 0.899 525 L HN 0.077 nan 8.230 nan 0.000 0.434 526 I N -1.146 119.296 120.570 -0.214 0.000 2.385 526 I HA -0.058 4.112 4.170 -0.001 0.000 0.244 526 I C 1.350 177.284 176.117 -0.305 0.000 1.089 526 I CA 0.421 61.469 61.300 -0.420 0.000 1.410 526 I CB -0.223 37.392 38.000 -0.643 0.000 1.117 526 I HN 0.325 nan 8.210 nan 0.000 0.429 530 M N 0.981 120.617 119.600 0.058 0.000 2.453 530 M HA 0.325 4.805 4.480 -0.001 0.000 0.239 530 M C 0.747 177.138 176.300 0.152 0.000 1.151 530 M CA 0.410 55.738 55.300 0.047 0.000 0.989 530 M CB 0.121 32.697 32.600 -0.039 0.000 1.548 530 M HN 0.111 nan 8.290 nan 0.000 0.479 531 G N 0.312 109.192 108.800 0.135 0.000 2.572 531 G HA2 0.358 4.318 3.960 -0.001 0.000 0.261 531 G HA3 0.358 4.318 3.960 -0.001 0.000 0.261 531 G C 1.203 176.102 174.900 -0.002 0.000 1.197 531 G CA -0.689 44.439 45.100 0.046 0.000 0.870 531 G HN 0.235 nan 8.290 nan 0.000 0.548 532 I N -0.149 120.299 120.570 -0.203 0.000 2.203 532 I HA -0.354 3.815 4.170 -0.001 0.000 0.237 532 I C 2.483 178.636 176.117 0.060 0.000 0.993 532 I CA 1.927 63.120 61.300 -0.180 0.000 1.277 532 I CB -0.719 37.048 38.000 -0.389 0.000 0.984 532 I HN 0.348 nan 8.210 nan 0.000 0.402 533 F N 1.085 121.067 119.950 0.053 0.000 2.065 533 F HA -0.244 4.283 4.527 -0.001 0.000 0.298 533 F C 3.053 178.915 175.800 0.104 0.000 1.112 533 F CA 1.827 59.883 58.000 0.094 0.000 1.212 533 F CB -1.388 37.638 39.000 0.042 0.000 0.975 533 F HN 0.030 nan 8.300 nan 0.000 0.476 534 S N 0.274 116.134 115.700 0.267 0.000 2.365 534 S HA -0.215 4.255 4.470 -0.001 0.000 0.221 534 S C 2.227 176.933 174.600 0.177 0.000 1.037 534 S CA 1.665 59.976 58.200 0.185 0.000 1.060 534 S CB -0.644 62.636 63.200 0.133 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.050 121.726 120.570 0.176 0.000 2.300 535 I HA -0.217 3.952 4.170 -0.001 0.000 0.252 535 I C 2.218 178.503 176.117 0.280 0.000 1.119 535 I CA 0.810 62.227 61.300 0.195 0.000 1.384 535 I CB -0.287 37.803 38.000 0.151 0.000 1.062 535 I HN 0.306 nan 8.210 nan 0.000 0.426 536 L N 1.095 122.507 121.223 0.315 0.000 2.044 536 L HA -0.181 4.159 4.340 -0.001 0.000 0.205 536 L C 2.385 179.263 176.870 0.013 0.000 1.075 536 L CA 1.841 56.732 54.840 0.086 0.000 0.747 536 L CB -0.688 41.510 42.059 0.232 0.000 0.903 536 L HN 0.339 nan 8.230 nan 0.000 0.435 537 E N -1.506 118.765 120.200 0.118 0.000 2.502 537 E HA -0.125 4.225 4.350 -0.001 0.000 0.194 537 E C 1.519 178.179 176.600 0.100 0.000 1.062 537 E CA 0.351 56.804 56.400 0.089 0.000 0.867 537 E CB -0.044 29.717 29.700 0.102 0.000 0.888 537 E HN 0.643 nan 8.360 nan 0.000 0.510 538 E N 1.445 121.719 120.200 0.124 0.000 2.065 538 E HA -0.129 4.220 4.350 -0.001 0.000 0.191 538 E C 1.648 178.396 176.600 0.246 0.000 0.960 538 E CA 0.287 56.793 56.400 0.176 0.000 0.824 538 E CB 0.203 30.009 29.700 0.178 0.000 0.793 538 E HN 0.025 nan 8.360 nan 0.000 0.459 539 E N 0.233 120.533 120.200 0.167 0.000 2.233 539 E HA -0.209 4.141 4.350 -0.001 0.000 0.199 539 E C 1.672 178.375 176.600 0.173 0.000 1.004 539 E CA 0.919 57.403 56.400 0.140 0.000 0.819 539 E CB -0.266 29.447 29.700 0.022 0.000 0.738 539 E HN 0.243 nan 8.360 nan 0.000 0.478 540 C N -0.507 118.849 119.300 0.092 0.000 2.466 540 C HA 0.037 4.497 4.460 -0.001 0.000 0.283 540 C C 2.171 177.218 174.990 0.095 0.000 1.472 540 C CA 0.433 59.484 59.018 0.056 0.000 1.765 540 C CB -0.894 26.854 27.740 0.014 0.000 1.724 540 C HN 0.491 nan 8.230 nan 0.000 0.560 541 M N -1.674 118.021 119.600 0.158 0.000 2.465 541 M HA 0.210 4.689 4.480 -0.001 0.000 0.249 541 M C -0.286 176.007 176.300 -0.011 0.000 1.130 541 M CA 0.420 55.758 55.300 0.064 0.000 1.067 541 M CB 0.223 32.840 32.600 0.029 0.000 1.394 541 M HN 0.120 nan 8.290 nan 0.000 0.483 542 F N 1.526 121.483 119.950 0.012 0.000 2.404 542 F HA 0.234 4.760 4.527 -0.000 0.000 0.359 542 F C -1.478 174.328 175.800 0.011 0.000 1.134 542 F CA -2.255 55.753 58.000 0.014 0.000 1.160 542 F CB 0.248 39.260 39.000 0.020 0.000 1.186 542 F HN -0.021 nan 8.300 nan 0.000 0.526 543 P HA -0.186 nan 4.420 nan 0.000 0.224 543 P C 0.252 177.603 177.300 0.084 0.000 1.142 543 P CA 1.379 64.516 63.100 0.061 0.000 0.778 543 P CB 0.188 31.899 31.700 0.019 0.000 0.764 544 K N -1.242 119.235 120.400 0.130 0.000 3.012 544 K HA 0.436 4.755 4.320 -0.001 0.000 0.207 544 K C -0.243 176.424 176.600 0.111 0.000 1.130 544 K CA -0.338 56.011 56.287 0.103 0.000 1.021 544 K CB 1.139 33.693 32.500 0.090 0.000 0.736 544 K HN -0.010 nan 8.250 nan 0.000 0.448 545 A N 0.401 123.293 122.820 0.121 0.000 2.264 545 A HA 0.681 5.001 4.320 -0.001 0.000 0.304 545 A C 0.024 177.642 177.584 0.057 0.000 1.100 545 A CA -0.063 52.023 52.037 0.081 0.000 0.839 545 A CB 0.851 19.902 19.000 0.085 0.000 1.121 545 A HN 0.127 nan 8.150 nan 0.000 0.496 546 T N -0.156 114.428 114.554 0.051 0.000 2.916 546 T HA 0.340 4.689 4.350 -0.001 0.000 0.292 546 T C 0.167 174.917 174.700 0.083 0.000 1.064 546 T CA -0.387 61.747 62.100 0.055 0.000 1.011 546 T CB 1.475 70.374 68.868 0.051 0.000 1.152 546 T HN 0.583 nan 8.240 nan 0.000 0.510 547 D N 0.976 121.422 120.400 0.078 0.000 2.104 547 D HA -0.088 4.552 4.640 -0.001 0.000 0.194 547 D C 2.091 178.462 176.300 0.117 0.000 0.994 547 D CA 1.517 55.586 54.000 0.116 0.000 0.830 547 D CB -0.313 40.511 40.800 0.040 0.000 0.959 547 D HN 0.467 nan 8.370 nan 0.000 0.452 548 T N 0.116 114.710 114.554 0.066 0.000 2.720 548 T HA -0.184 4.166 4.350 -0.001 0.000 0.268 548 T C 2.075 176.802 174.700 0.044 0.000 1.037 548 T CA 1.819 63.950 62.100 0.053 0.000 1.144 548 T CB -0.308 68.595 68.868 0.058 0.000 0.864 548 T HN 0.241 nan 8.240 nan 0.000 0.444 549 S N 1.320 117.053 115.700 0.056 0.000 2.354 549 S HA -0.116 4.354 4.470 -0.001 0.000 0.219 549 S C 1.051 175.679 174.600 0.045 0.000 1.035 549 S CA 0.471 58.690 58.200 0.032 0.000 1.037 549 S CB -0.901 62.309 63.200 0.016 0.000 0.956 549 S HN 0.371 nan 8.310 nan 0.000 0.428 555 Y N 0.937 121.146 120.300 -0.152 0.000 2.114 555 Y HA -0.091 4.458 4.550 -0.001 0.000 0.284 555 Y C 2.206 178.035 175.900 -0.119 0.000 1.119 555 Y CA 1.712 59.785 58.100 -0.046 0.000 1.108 555 Y CB -0.670 37.817 38.460 0.045 0.000 0.995 555 Y HN 0.143 nan 8.280 nan 0.000 0.491 556 D N -0.140 120.311 120.400 0.086 0.000 2.244 556 D HA -0.246 4.393 4.640 -0.001 0.000 0.197 556 D C 1.948 178.186 176.300 -0.103 0.000 1.006 556 D CA 1.975 55.967 54.000 -0.013 0.000 0.888 556 D CB -0.141 40.639 40.800 -0.033 0.000 0.912 556 D HN 0.495 nan 8.370 nan 0.000 0.452 557 E N -1.471 118.602 120.200 -0.212 0.000 2.307 557 E HA -0.041 4.308 4.350 -0.001 0.000 0.195 557 E C 1.524 177.769 176.600 -0.591 0.000 0.975 557 E CA 0.733 56.896 56.400 -0.395 0.000 0.878 557 E CB 0.229 29.632 29.700 -0.496 0.000 0.845 557 E HN 0.323 nan 8.360 nan 0.000 0.488 558 H N -0.711 118.120 119.070 -0.398 0.000 2.788 558 H HA 0.225 4.780 4.556 -0.001 0.000 0.262 558 H C 0.239 175.408 175.328 -0.265 0.000 0.968 558 H CA -0.164 55.553 56.048 -0.552 0.000 1.218 558 H CB 0.263 29.253 29.762 -1.287 0.000 1.443 558 H HN 0.143 nan 8.280 nan 0.000 0.478 559 L N 1.242 122.497 121.223 0.053 0.000 2.499 559 L HA 0.161 4.500 4.340 -0.001 0.000 0.273 559 L C 1.307 178.271 176.870 0.157 0.000 1.195 559 L CA 1.120 56.158 54.840 0.331 0.000 0.882 559 L CB 0.341 42.651 42.059 0.418 0.000 1.133 559 L HN 0.570 nan 8.230 nan 0.000 0.483 560 G N 3.020 111.924 108.800 0.173 0.000 2.347 560 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.247 560 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.247 560 G C 1.219 176.165 174.900 0.076 0.000 1.037 560 G CA 0.546 45.704 45.100 0.096 0.000 0.622 560 G HN 0.646 nan 8.290 nan 0.000 0.521 561 K N 0.148 120.589 120.400 0.068 0.000 2.323 561 K HA 0.303 4.622 4.320 -0.001 0.000 0.197 561 K C 0.422 177.064 176.600 0.070 0.000 1.043 561 K CA 0.669 56.980 56.287 0.040 0.000 0.997 561 K CB 0.205 32.698 32.500 -0.011 0.000 0.807 561 K HN 0.314 nan 8.250 nan 0.000 0.497 562 S N 0.043 115.817 115.700 0.123 0.000 2.532 562 S HA 0.213 4.683 4.470 -0.001 0.000 0.299 562 S C 0.225 174.936 174.600 0.186 0.000 1.105 562 S CA -0.644 57.646 58.200 0.150 0.000 1.018 562 S CB 1.776 65.072 63.200 0.160 0.000 1.021 562 S HN 0.232 nan 8.310 nan 0.000 0.483 563 N N 2.748 121.528 118.700 0.134 0.000 2.250 563 N HA -0.035 4.705 4.740 -0.001 0.000 0.181 563 N C 1.029 176.613 175.510 0.124 0.000 1.017 563 N CA 0.752 53.871 53.050 0.115 0.000 0.866 563 N CB 0.007 38.544 38.487 0.083 0.000 0.985 563 N HN 0.545 nan 8.380 nan 0.000 0.429 564 N N -0.854 117.924 118.700 0.129 0.000 2.494 564 N HA -0.025 4.714 4.740 -0.001 0.000 0.182 564 N C -0.618 174.983 175.510 0.151 0.000 1.076 564 N CA 0.175 53.293 53.050 0.113 0.000 0.908 564 N CB 0.162 38.698 38.487 0.081 0.000 0.967 564 N HN 0.141 nan 8.380 nan 0.000 0.449 565 F N 1.655 121.626 119.950 0.036 0.000 2.404 565 F HA 0.358 4.885 4.527 -0.001 0.000 0.345 565 F C -0.133 175.729 175.800 0.103 0.000 1.110 565 F CA -0.252 57.781 58.000 0.055 0.000 1.130 565 F CB 0.635 39.644 39.000 0.015 0.000 1.129 565 F HN -0.118 nan 8.300 nan 0.000 0.500 566 Q N 4.177 123.714 119.800 -0.438 0.000 2.482 566 Q HA 0.268 4.607 4.340 -0.001 0.000 0.286 566 Q C -1.441 174.423 176.000 -0.226 0.000 1.007 566 Q CA -1.301 54.387 55.803 -0.191 0.000 0.801 566 Q CB 2.992 31.695 28.738 -0.060 0.000 1.455 566 Q HN 0.641 nan 8.270 nan 0.000 0.398 567 K N 0.557 120.926 120.400 -0.053 0.000 2.172 567 K HA 0.577 4.896 4.320 -0.001 0.000 0.276 567 K C -2.542 174.056 176.600 -0.003 0.000 1.013 567 K CA -1.687 54.617 56.287 0.028 0.000 0.913 567 K CB 0.769 33.284 32.500 0.024 0.000 1.055 567 K HN 0.114 nan 8.250 nan 0.000 0.461 568 P HA -0.002 nan 4.420 nan 0.000 0.269 568 P C -0.995 176.287 177.300 -0.029 0.000 1.215 568 P CA -0.304 62.779 63.100 -0.029 0.000 0.780 568 P CB 0.481 32.151 31.700 -0.050 0.000 0.898 569 K N 3.199 123.580 120.400 -0.033 0.000 2.250 569 K HA 0.160 4.480 4.320 -0.001 0.000 0.285 569 K C -1.606 174.974 176.600 -0.032 0.000 1.097 569 K CA -1.560 54.711 56.287 -0.026 0.000 0.913 569 K CB 0.592 33.081 32.500 -0.018 0.000 1.179 569 K HN 0.299 nan 8.250 nan 0.000 0.462 570 P HA -0.049 nan 4.420 nan 0.000 0.225 570 P C -0.290 177.001 177.300 -0.014 0.000 1.156 570 P CA 0.515 63.596 63.100 -0.032 0.000 0.787 570 P CB 0.429 32.109 31.700 -0.033 0.000 0.802 571 A N -1.167 121.647 122.820 -0.009 0.000 2.384 571 A HA 0.763 5.082 4.320 -0.001 0.000 0.312 571 A C 0.212 177.798 177.584 0.002 0.000 1.113 571 A CA -0.280 51.756 52.037 -0.001 0.000 0.779 571 A CB 1.682 20.682 19.000 -0.001 0.000 1.307 571 A HN -0.063 nan 8.150 nan 0.000 0.436 572 K N -0.975 119.430 120.400 0.007 0.000 8.038 572 K HA -0.087 4.233 4.320 -0.001 0.000 0.228 572 K C 0.900 177.509 176.600 0.016 0.000 1.590 572 K CA 0.183 56.477 56.287 0.010 0.000 0.932 572 K CB -1.039 31.466 32.500 0.009 0.000 0.482 572 K HN 1.011 nan 8.250 nan 0.000 0.444 573 G N 1.838 110.651 108.800 0.020 0.000 3.088 573 G HA2 0.138 4.097 3.960 -0.001 0.000 0.217 573 G HA3 0.138 4.097 3.960 -0.001 0.000 0.217 573 G C -0.101 174.825 174.900 0.045 0.000 1.159 573 G CA 0.078 45.196 45.100 0.030 0.000 0.760 573 G HN 0.081 nan 8.290 nan 0.000 0.550 574 K N -0.219 120.203 120.400 0.038 0.000 2.126 574 K HA 0.543 4.863 4.320 -0.001 0.000 0.257 574 K C 0.930 177.572 176.600 0.069 0.000 1.007 574 K CA 0.055 56.374 56.287 0.053 0.000 0.928 574 K CB 1.669 34.178 32.500 0.016 0.000 1.013 574 K HN 0.002 nan 8.250 nan 0.000 0.473 575 A N 1.251 124.144 122.820 0.122 0.000 2.108 575 A HA 0.085 4.404 4.320 -0.001 0.000 0.206 575 A C 0.525 178.176 177.584 0.111 0.000 1.212 575 A CA 0.689 52.806 52.037 0.135 0.000 0.843 575 A CB 0.302 19.437 19.000 0.225 0.000 0.902 575 A HN 0.800 nan 8.150 nan 0.000 0.477 576 E N -2.458 117.799 120.200 0.094 0.000 2.394 576 E HA 0.620 4.970 4.350 -0.001 0.000 0.266 576 E C -1.631 174.905 176.600 -0.105 0.000 1.065 576 E CA -0.483 55.920 56.400 0.004 0.000 0.885 576 E CB 1.474 31.185 29.700 0.018 0.000 1.659 576 E HN 0.290 nan 8.360 nan 0.000 0.462 577 A N 0.533 123.196 122.820 -0.263 0.000 2.324 577 A HA 0.672 4.992 4.320 -0.001 0.000 0.330 577 A C -0.638 176.462 177.584 -0.806 0.000 1.165 577 A CA -0.095 51.745 52.037 -0.329 0.000 0.813 577 A CB 0.617 19.493 19.000 -0.207 0.000 1.197 577 A HN 0.752 nan 8.150 nan 0.000 0.484 578 H N 0.593 119.659 119.070 -0.006 0.000 1.718 578 H HA 0.157 4.713 4.556 -0.001 0.000 0.132 578 H C -0.833 174.578 175.328 0.139 0.000 1.127 578 H CA 0.987 57.061 56.048 0.043 0.000 0.969 578 H CB 0.484 30.227 29.762 -0.032 0.000 0.595 578 H HN 0.992 nan 8.280 nan 0.000 0.274 579 F N 1.376 121.334 119.950 0.014 0.000 2.680 579 F HA 0.577 5.104 4.527 -0.001 0.000 0.315 579 F C -1.596 174.180 175.800 -0.039 0.000 1.099 579 F CA -1.063 56.861 58.000 -0.126 0.000 1.033 579 F CB 1.034 39.850 39.000 -0.307 0.000 1.285 579 F HN -0.020 nan 8.300 nan 0.000 0.457 580 S N 3.420 119.114 115.700 -0.009 0.000 2.593 580 S HA 0.899 5.368 4.470 -0.001 0.000 0.297 580 S C -1.238 173.438 174.600 0.127 0.000 1.112 580 S CA -0.760 57.441 58.200 0.001 0.000 1.043 580 S CB 2.259 65.438 63.200 -0.035 0.000 1.054 580 S HN 0.748 nan 8.310 nan 0.000 0.516 581 L N 1.229 122.583 121.223 0.217 0.000 2.341 581 L HA 0.579 4.919 4.340 -0.001 0.000 0.267 581 L C -0.831 176.131 176.870 0.153 0.000 1.009 581 L CA -0.617 54.343 54.840 0.200 0.000 0.819 581 L CB 2.299 44.515 42.059 0.261 0.000 1.323 581 L HN 0.632 nan 8.230 nan 0.000 0.425 582 V N 3.029 122.985 119.914 0.070 0.000 2.217 582 V HA 0.315 4.434 4.120 -0.001 0.000 0.264 582 V C 0.146 176.291 176.094 0.084 0.000 1.107 582 V CA -0.655 61.701 62.300 0.093 0.000 0.913 582 V CB -0.366 31.504 31.823 0.077 0.000 1.153 582 V HN 0.573 nan 8.190 nan 0.000 0.469 583 H N 2.684 121.835 119.070 0.136 0.000 2.544 583 H HA 0.104 4.659 4.556 -0.001 0.000 0.365 583 H C 1.190 176.472 175.328 -0.077 0.000 1.268 583 H CA 0.224 56.325 56.048 0.089 0.000 1.400 583 H CB 1.234 31.125 29.762 0.214 0.000 1.538 583 H HN 0.665 nan 8.280 nan 0.000 0.597 584 Y N -0.038 120.327 120.300 0.108 0.000 2.165 584 Y HA -0.163 4.387 4.550 -0.001 0.000 0.286 584 Y C 2.212 178.026 175.900 -0.144 0.000 1.155 584 Y CA 1.086 59.176 58.100 -0.017 0.000 1.164 584 Y CB -0.911 37.540 38.460 -0.016 0.000 0.978 584 Y HN 0.527 nan 8.280 nan 0.000 0.513 585 A N 0.519 122.742 122.820 -0.996 0.000 2.015 585 A HA 0.431 4.751 4.320 -0.001 0.000 0.219 585 A C 1.582 178.954 177.584 -0.353 0.000 1.163 585 A CA 1.327 52.902 52.037 -0.770 0.000 0.646 585 A CB -1.111 16.957 19.000 -1.552 0.000 0.806 585 A HN 0.985 nan 8.150 nan 0.000 0.448 586 G N -2.868 105.800 108.800 -0.221 0.000 2.350 586 G HA2 0.330 4.290 3.960 -0.001 0.000 0.276 586 G HA3 0.330 4.290 3.960 -0.001 0.000 0.276 586 G C -0.772 174.194 174.900 0.110 0.000 1.313 586 G CA -0.108 44.978 45.100 -0.022 0.000 0.903 586 G HN 0.201 nan 8.290 nan 0.000 0.490 587 T N 0.638 115.245 114.554 0.088 0.000 2.743 587 T HA 0.550 4.900 4.350 -0.001 0.000 0.293 587 T C -0.058 174.671 174.700 0.048 0.000 0.945 587 T CA -0.102 62.056 62.100 0.096 0.000 1.030 587 T CB 1.202 70.094 68.868 0.040 0.000 0.912 587 T HN 0.730 nan 8.240 nan 0.000 0.483 588 V N 4.426 124.372 119.914 0.054 0.000 2.417 588 V HA 0.317 4.437 4.120 -0.001 0.000 0.291 588 V C -0.133 175.719 176.094 -0.404 0.000 1.024 588 V CA -1.026 61.118 62.300 -0.261 0.000 0.861 588 V CB 1.810 33.332 31.823 -0.503 0.000 0.985 588 V HN 0.813 nan 8.190 nan 0.000 0.436 589 D N 4.274 124.423 120.400 -0.419 0.000 2.347 589 D HA 0.326 4.965 4.640 -0.001 0.000 0.235 589 D C -0.931 175.077 176.300 -0.487 0.000 1.149 589 D CA 0.111 53.904 54.000 -0.346 0.000 0.850 589 D CB 1.176 41.861 40.800 -0.193 0.000 1.061 589 D HN 0.440 nan 8.370 nan 0.000 0.487 590 Y N 1.289 121.307 120.300 -0.470 0.000 2.342 590 Y HA 0.168 4.718 4.550 -0.001 0.000 0.334 590 Y C 1.009 176.658 175.900 -0.417 0.000 1.067 590 Y CA -0.874 56.904 58.100 -0.537 0.000 1.128 590 Y CB 1.189 39.149 38.460 -0.833 0.000 1.200 590 Y HN 0.207 nan 8.280 nan 0.000 0.464 591 N N 3.961 122.603 118.700 -0.096 0.000 2.424 591 N HA 0.275 5.015 4.740 -0.001 0.000 0.271 591 N C -1.103 174.229 175.510 -0.297 0.000 0.985 591 N CA -0.305 52.749 53.050 0.006 0.000 0.921 591 N CB 0.787 39.216 38.487 -0.096 0.000 1.149 591 N HN 0.750 nan 8.380 nan 0.000 0.492 592 I N 2.860 122.892 120.570 -0.897 0.000 2.261 592 I HA 0.050 4.220 4.170 -0.001 0.000 0.285 592 I C 0.198 175.817 176.117 -0.830 0.000 1.113 592 I CA -0.229 60.165 61.300 -1.510 0.000 1.377 592 I CB 0.044 37.385 38.000 -1.098 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.285 117.819 115.700 -0.277 0.000 2.652 593 S HA 0.693 5.163 4.470 -0.001 0.000 0.252 593 S C 0.279 175.051 174.600 0.286 0.000 1.219 593 S CA 0.079 58.303 58.200 0.040 0.000 1.151 593 S CB 1.284 64.535 63.200 0.085 0.000 1.080 593 S HN 0.804 nan 8.310 nan 0.000 0.481 594 G N 2.754 111.715 108.800 0.268 0.000 2.318 594 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.172 594 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.172 594 G C 0.572 175.579 174.900 0.179 0.000 1.002 594 G CA 0.083 45.307 45.100 0.207 0.000 0.697 594 G HN 0.564 nan 8.290 nan 0.000 0.483 595 W N 0.780 121.988 121.300 -0.153 0.000 2.317 595 W HA 0.114 4.774 4.660 -0.001 0.000 0.318 595 W C 2.394 178.652 176.519 -0.435 0.000 1.227 595 W CA 1.490 58.620 57.345 -0.357 0.000 1.269 595 W CB -1.309 27.999 29.460 -0.253 0.000 1.155 595 W HN 0.278 nan 8.180 nan 0.000 0.484 596 L N 0.191 121.366 121.223 -0.081 0.000 1.997 596 L HA -0.195 4.145 4.340 -0.001 0.000 0.216 596 L C 1.687 178.484 176.870 -0.122 0.000 1.074 596 L CA 1.738 56.481 54.840 -0.161 0.000 0.763 596 L CB -1.277 40.719 42.059 -0.105 0.000 0.890 596 L HN -0.081 nan 8.230 nan 0.000 0.434 602 P HA 0.370 nan 4.420 nan 0.000 0.271 602 P C -0.872 176.450 177.300 0.037 0.000 1.233 602 P CA -0.375 62.749 63.100 0.039 0.000 0.764 602 P CB 0.689 32.401 31.700 0.020 0.000 0.825 603 L N 2.990 124.232 121.223 0.032 0.000 2.436 603 L HA 0.315 4.655 4.340 -0.001 0.000 0.268 603 L C 0.103 176.949 176.870 -0.040 0.000 0.974 603 L CA -0.839 54.002 54.840 0.002 0.000 0.826 603 L CB 1.682 43.738 42.059 -0.005 0.000 1.291 603 L HN 0.317 nan 8.230 nan 0.000 0.406 604 N N 2.169 120.827 118.700 -0.070 0.000 2.406 604 N HA -0.032 4.708 4.740 -0.001 0.000 0.274 604 N C 0.621 176.042 175.510 -0.148 0.000 1.249 604 N CA 0.482 53.473 53.050 -0.098 0.000 0.951 604 N CB 0.493 38.920 38.487 -0.101 0.000 1.241 604 N HN 0.654 nan 8.380 nan 0.000 0.485 605 E N 1.611 121.747 120.200 -0.107 0.000 2.333 605 E HA -0.138 4.212 4.350 -0.001 0.000 0.198 605 E C 0.917 177.433 176.600 -0.140 0.000 1.007 605 E CA 1.323 57.656 56.400 -0.112 0.000 0.845 605 E CB 0.174 29.849 29.700 -0.040 0.000 0.766 605 E HN 0.665 nan 8.360 nan 0.000 0.507 606 T N 0.103 114.579 114.554 -0.130 0.000 2.737 606 T HA -0.121 4.228 4.350 -0.001 0.000 0.265 606 T C 2.047 176.631 174.700 -0.192 0.000 1.038 606 T CA 1.142 63.169 62.100 -0.121 0.000 1.144 606 T CB -0.156 68.661 68.868 -0.085 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.181 121.936 119.914 -0.265 0.000 2.287 607 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 607 V C 2.490 178.131 176.094 -0.755 0.000 1.053 607 V CA 1.419 63.459 62.300 -0.434 0.000 1.027 607 V CB -0.754 30.806 31.823 -0.437 0.000 0.646 607 V HN 0.495 nan 8.190 nan 0.000 0.447 608 I N 1.004 121.127 120.570 -0.745 0.000 2.315 608 I HA -0.230 3.940 4.170 -0.001 0.000 0.251 608 I C 2.565 178.413 176.117 -0.449 0.000 1.125 608 I CA 1.782 62.585 61.300 -0.827 0.000 1.392 608 I CB -1.363 36.309 38.000 -0.546 0.000 1.065 608 I HN 0.462 nan 8.210 nan 0.000 0.424 609 G N 1.586 110.211 108.800 -0.291 0.000 2.459 609 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 609 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 609 G C 1.531 176.368 174.900 -0.105 0.000 1.183 609 G CA 0.447 45.465 45.100 -0.137 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N 0.005 121.142 121.223 -0.143 0.000 2.043 610 L HA -0.087 4.252 4.340 -0.001 0.000 0.212 610 L C 2.719 179.633 176.870 0.074 0.000 1.075 610 L CA 0.920 55.736 54.840 -0.039 0.000 0.752 610 L CB -1.348 40.691 42.059 -0.034 0.000 0.891 610 L HN 0.236 nan 8.230 nan 0.000 0.432 611 Y N -0.252 119.979 120.300 -0.114 0.000 2.128 611 Y HA -0.152 4.397 4.550 -0.001 0.000 0.284 611 Y C 1.914 177.792 175.900 -0.037 0.000 1.154 611 Y CA -0.141 57.895 58.100 -0.107 0.000 1.149 611 Y CB -1.167 37.118 38.460 -0.291 0.000 0.976 611 Y HN 0.311 nan 8.280 nan 0.000 0.505 615 S N 0.613 116.317 115.700 0.006 0.000 2.528 615 S HA 0.253 4.722 4.470 -0.001 0.000 0.219 615 S C 0.727 175.313 174.600 -0.023 0.000 0.985 615 S CA 0.123 58.321 58.200 -0.003 0.000 0.914 615 S CB -0.121 63.079 63.200 -0.001 0.000 0.776 615 S HN 0.537 nan 8.310 nan 0.000 0.526 619 L N 2.877 123.939 121.223 -0.268 0.000 2.042 619 L HA 0.268 4.608 4.340 -0.001 0.000 0.210 619 L C 2.520 179.363 176.870 -0.045 0.000 1.076 619 L CA 2.730 57.462 54.840 -0.181 0.000 0.749 619 L CB -0.951 41.010 42.059 -0.163 0.000 0.893 619 L HN 0.389 nan 8.230 nan 0.000 0.432 620 A N -0.668 122.129 122.820 -0.038 0.000 1.883 620 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 620 A C 2.239 179.847 177.584 0.041 0.000 1.186 620 A CA 2.063 54.124 52.037 0.039 0.000 0.624 620 A CB -0.971 18.039 19.000 0.017 0.000 0.822 620 A HN 0.448 nan 8.150 nan 0.000 0.444 621 L N -0.963 120.223 121.223 -0.062 0.000 1.970 621 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 621 L C 2.333 179.167 176.870 -0.061 0.000 1.071 621 L CA 1.593 56.387 54.840 -0.077 0.000 0.751 621 L CB -0.673 41.288 42.059 -0.163 0.000 0.889 621 L HN 0.319 nan 8.230 nan 0.000 0.432 622 L N -1.584 119.523 121.223 -0.194 0.000 2.171 622 L HA -0.294 4.046 4.340 -0.001 0.000 0.216 622 L C 2.161 178.971 176.870 -0.099 0.000 1.084 622 L CA 1.899 56.601 54.840 -0.230 0.000 0.771 622 L CB -0.895 40.944 42.059 -0.366 0.000 0.890 622 L HN 0.164 nan 8.230 nan 0.000 0.437 623 F N -1.683 118.341 119.950 0.124 0.000 2.664 623 F HA 0.127 4.653 4.527 -0.001 0.000 0.296 623 F C 2.191 178.171 175.800 0.300 0.000 1.125 623 F CA 0.468 58.636 58.000 0.280 0.000 1.444 623 F CB -0.546 38.568 39.000 0.190 0.000 1.114 623 F HN 0.015 nan 8.300 nan 0.000 0.576 624 A N -0.029 122.960 122.820 0.282 0.000 1.909 624 A HA -0.392 3.928 4.320 -0.001 0.000 0.221 624 A C 2.336 180.007 177.584 0.144 0.000 1.223 624 A CA 2.840 54.980 52.037 0.171 0.000 0.658 624 A CB -1.574 17.480 19.000 0.090 0.000 0.831 624 A HN 0.371 nan 8.150 nan 0.000 0.462 625 T N -2.488 112.121 114.554 0.091 0.000 2.833 625 T HA -0.173 4.177 4.350 -0.001 0.000 0.269 625 T C 1.681 176.341 174.700 -0.067 0.000 1.054 625 T CA 1.797 63.872 62.100 -0.042 0.000 1.135 625 T CB -0.490 68.296 68.868 -0.138 0.000 0.869 625 T HN 0.547 nan 8.240 nan 0.000 0.466 626 Y N 1.224 121.617 120.300 0.155 0.000 2.163 626 Y HA 0.178 4.727 4.550 -0.001 0.000 0.288 626 Y C 2.992 178.957 175.900 0.107 0.000 1.136 626 Y CA 0.992 59.193 58.100 0.168 0.000 1.147 626 Y CB -0.979 37.645 38.460 0.273 0.000 0.987 626 Y HN 0.333 nan 8.280 nan 0.000 0.509 627 G N -0.438 108.527 108.800 0.275 0.000 2.432 627 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.219 627 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.219 627 G C 1.931 176.884 174.900 0.089 0.000 1.135 627 G CA 0.935 46.127 45.100 0.154 0.000 0.767 627 G HN 0.526 nan 8.290 nan 0.000 0.550 628 G N 0.123 108.962 108.800 0.066 0.000 2.511 628 G HA2 0.049 4.009 3.960 -0.001 0.000 0.217 628 G HA3 0.049 4.009 3.960 -0.001 0.000 0.217 628 G C 1.471 176.373 174.900 0.004 0.000 1.133 628 G CA 0.527 45.641 45.100 0.024 0.000 0.792 628 G HN 0.529 nan 8.290 nan 0.000 0.539 629 E N 0.339 120.539 120.200 0.001 0.000 2.447 629 E HA 0.237 4.587 4.350 -0.001 0.000 0.195 629 E C 2.608 179.215 176.600 0.011 0.000 1.028 629 E CA 0.234 56.622 56.400 -0.020 0.000 0.876 629 E CB 0.214 29.878 29.700 -0.059 0.000 0.885 629 E HN 0.359 nan 8.360 nan 0.000 0.500 630 A N 1.719 124.562 122.820 0.037 0.000 2.024 630 A HA -0.260 4.060 4.320 -0.001 0.000 0.220 630 A C 1.864 179.460 177.584 0.019 0.000 1.164 630 A CA 1.308 53.368 52.037 0.038 0.000 0.643 630 A CB -0.337 18.691 19.000 0.046 0.000 0.806 630 A HN 0.196 nan 8.150 nan 0.000 0.451 631 E N -0.705 119.501 120.200 0.011 0.000 2.097 631 E HA -0.187 4.163 4.350 -0.001 0.000 0.196 631 E C 2.063 178.662 176.600 -0.002 0.000 1.000 631 E CA 0.987 57.388 56.400 0.003 0.000 0.804 631 E CB -0.418 29.281 29.700 -0.001 0.000 0.740 631 E HN 0.634 nan 8.360 nan 0.000 0.454 632 G N 0.431 109.228 108.800 -0.006 0.000 2.471 632 G HA2 -0.118 3.842 3.960 -0.001 0.000 0.219 632 G HA3 -0.118 3.842 3.960 -0.001 0.000 0.219 632 G C 1.047 175.943 174.900 -0.007 0.000 1.125 632 G CA 0.687 45.780 45.100 -0.011 0.000 0.775 632 G HN 0.329 nan 8.290 nan 0.000 0.548 633 G N -0.267 108.534 108.800 0.001 0.000 4.637 633 G HA2 0.434 4.393 3.960 -0.001 0.000 0.294 633 G HA3 0.434 4.393 3.960 -0.001 0.000 0.294 633 G C 1.087 175.991 174.900 0.005 0.000 1.215 633 G CA 0.647 45.749 45.100 0.004 0.000 0.943 633 G HN 0.333 nan 8.290 nan 0.000 0.572 634 G N 0.677 109.478 108.800 0.001 0.000 2.446 634 G HA2 0.233 4.193 3.960 -0.001 0.000 0.217 634 G HA3 0.233 4.193 3.960 -0.001 0.000 0.217 634 G C 0.938 175.837 174.900 -0.001 0.000 1.168 634 G CA 0.941 46.042 45.100 0.001 0.000 0.771 634 G HN 0.726 nan 8.290 nan 0.000 0.551 635 G N -0.826 107.971 108.800 -0.005 0.000 2.471 635 G HA2 0.522 4.481 3.960 -0.001 0.000 0.332 635 G HA3 0.522 4.481 3.960 -0.001 0.000 0.332 635 G C -0.559 174.336 174.900 -0.009 0.000 1.176 635 G CA -0.863 44.233 45.100 -0.007 0.000 0.949 635 G HN 0.251 nan 8.290 nan 0.000 0.488 636 K N 1.389 121.784 120.400 -0.009 0.000 2.511 636 K HA 0.221 4.540 4.320 -0.001 0.000 0.280 636 K C -0.052 176.536 176.600 -0.020 0.000 1.008 636 K CA 0.824 57.104 56.287 -0.011 0.000 1.050 636 K CB 0.244 32.738 32.500 -0.009 0.000 0.889 636 K HN 0.658 nan 8.250 nan 0.000 0.484 637 K N -0.333 120.053 120.400 -0.023 0.000 7.478 637 K HA -0.115 4.205 4.320 -0.001 0.000 1.018 637 K C 0.168 176.740 176.600 -0.047 0.000 1.997 637 K CA -0.009 56.251 56.287 -0.044 0.000 1.165 637 K CB -1.239 31.228 32.500 -0.056 0.000 2.198 637 K HN 0.978 nan 8.250 nan 0.000 0.323 638 G N -0.934 107.828 108.800 -0.062 0.000 2.482 638 G HA2 0.264 4.223 3.960 -0.001 0.000 0.214 638 G HA3 0.264 4.223 3.960 -0.001 0.000 0.214 638 G C -0.308 174.569 174.900 -0.038 0.000 1.271 638 G CA 0.042 45.111 45.100 -0.053 0.000 0.944 638 G HN 1.270 nan 8.290 nan 0.000 0.568 639 G N -0.625 108.161 108.800 -0.024 0.000 2.644 639 G HA2 0.614 4.573 3.960 -0.001 0.000 0.300 639 G HA3 0.614 4.573 3.960 -0.001 0.000 0.300 639 G C 0.477 175.374 174.900 -0.005 0.000 1.395 639 G CA 0.344 45.437 45.100 -0.012 0.000 0.964 639 G HN 0.697 nan 8.290 nan 0.000 0.511 640 K N 1.315 121.719 120.400 0.007 0.000 2.211 640 K HA -0.066 4.254 4.320 -0.001 0.000 0.203 640 K C 2.045 178.633 176.600 -0.020 0.000 1.050 640 K CA 0.834 57.128 56.287 0.011 0.000 0.945 640 K CB 0.187 32.714 32.500 0.045 0.000 0.732 640 K HN 0.408 nan 8.250 nan 0.000 0.451 641 K N 1.133 121.515 120.400 -0.030 0.000 2.283 641 K HA -0.097 4.223 4.320 -0.001 0.000 0.202 641 K C 1.680 178.245 176.600 -0.058 0.000 1.048 641 K CA 0.941 57.191 56.287 -0.063 0.000 0.948 641 K CB 0.019 32.492 32.500 -0.045 0.000 0.742 641 K HN 0.115 nan 8.250 nan 0.000 0.458 642 K N -0.055 120.322 120.400 -0.038 0.000 2.160 642 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 642 K C 1.847 178.425 176.600 -0.036 0.000 1.047 642 K CA 1.397 57.665 56.287 -0.032 0.000 0.930 642 K CB -0.065 32.422 32.500 -0.022 0.000 0.720 642 K HN 0.274 nan 8.250 nan 0.000 0.450 643 G N -0.464 108.311 108.800 -0.041 0.000 3.377 643 G HA2 0.056 4.016 3.960 -0.001 0.000 0.257 643 G HA3 0.056 4.016 3.960 -0.001 0.000 0.257 643 G C 0.136 174.994 174.900 -0.070 0.000 1.038 643 G CA 0.334 45.410 45.100 -0.041 0.000 0.809 643 G HN 0.186 nan 8.290 nan 0.000 0.526 644 S N -1.234 114.401 115.700 -0.108 0.000 2.872 644 S HA -0.210 4.259 4.470 -0.001 0.000 0.270 644 S C 0.451 174.879 174.600 -0.286 0.000 1.345 644 S CA 0.429 58.517 58.200 -0.188 0.000 1.080 644 S CB -2.676 60.427 63.200 -0.162 0.000 1.328 644 S HN 1.636 nan 8.310 nan 0.000 0.692 645 S N 0.830 116.412 115.700 -0.196 0.000 2.586 645 S HA 0.764 5.233 4.470 -0.001 0.000 0.274 645 S C 0.049 174.537 174.600 -0.188 0.000 1.281 645 S CA -0.829 57.272 58.200 -0.165 0.000 1.035 645 S CB 0.217 63.428 63.200 0.019 0.000 0.962 645 S HN 0.375 nan 8.310 nan 0.000 0.512 646 F N 1.466 121.418 119.950 0.004 0.000 2.518 646 F HA 0.210 4.736 4.527 -0.000 0.000 0.359 646 F C 1.833 177.651 175.800 0.028 0.000 1.118 646 F CA 0.038 58.047 58.000 0.016 0.000 1.287 646 F CB 0.474 39.490 39.000 0.028 0.000 1.132 646 F HN 0.706 nan 8.300 nan 0.000 0.587 647 Q N 0.083 119.998 119.800 0.191 0.000 2.392 647 Q HA 0.104 4.443 4.340 -0.001 0.000 0.219 647 Q C 0.370 176.440 176.000 0.116 0.000 0.895 647 Q CA 0.401 56.275 55.803 0.119 0.000 0.929 647 Q CB 0.901 29.682 28.738 0.072 0.000 1.077 647 Q HN 0.675 nan 8.270 nan 0.000 0.532 648 T N -0.798 113.843 114.554 0.145 0.000 2.900 648 T HA 0.245 4.595 4.350 -0.001 0.000 0.295 648 T C 0.118 174.871 174.700 0.088 0.000 1.044 648 T CA -0.495 61.662 62.100 0.094 0.000 0.995 648 T CB 2.061 70.977 68.868 0.080 0.000 1.072 648 T HN -0.181 nan 8.240 nan 0.000 0.473 649 V N 3.480 123.413 119.914 0.032 0.000 3.592 649 V HA 0.091 4.210 4.120 -0.001 0.000 0.272 649 V C 1.470 177.641 176.094 0.129 0.000 1.228 649 V CA 1.915 64.242 62.300 0.046 0.000 1.173 649 V CB -0.468 31.343 31.823 -0.021 0.000 0.873 649 V HN 0.981 nan 8.190 nan 0.000 0.476 650 S N -2.523 113.231 115.700 0.090 0.000 2.546 650 S HA 0.243 4.713 4.470 -0.001 0.000 0.282 650 S C 1.771 176.355 174.600 -0.027 0.000 1.074 650 S CA 0.524 58.713 58.200 -0.018 0.000 1.254 650 S CB 0.206 63.294 63.200 -0.187 0.000 1.103 650 S HN 0.372 nan 8.310 nan 0.000 0.589 651 A N 2.277 125.131 122.820 0.057 0.000 1.940 651 A HA 0.146 4.466 4.320 -0.001 0.000 0.219 651 A C 2.049 179.709 177.584 0.127 0.000 1.176 651 A CA 1.628 53.722 52.037 0.095 0.000 0.631 651 A CB -0.783 18.311 19.000 0.158 0.000 0.814 651 A HN 0.496 nan 8.150 nan 0.000 0.446 652 L N -2.628 118.706 121.223 0.184 0.000 2.071 652 L HA 0.004 4.344 4.340 -0.001 0.000 0.201 652 L C 2.300 179.262 176.870 0.154 0.000 1.076 652 L CA 1.143 56.102 54.840 0.198 0.000 0.755 652 L CB -0.699 41.488 42.059 0.213 0.000 0.915 652 L HN 0.410 nan 8.230 nan 0.000 0.445 653 F N 1.388 121.350 119.950 0.019 0.000 2.076 653 F HA -0.398 4.128 4.527 -0.001 0.000 0.294 653 F C 2.579 178.400 175.800 0.035 0.000 1.078 653 F CA 1.965 59.972 58.000 0.012 0.000 1.247 653 F CB -0.438 38.514 39.000 -0.081 0.000 0.984 653 F HN -0.076 nan 8.300 nan 0.000 0.491 654 R N -0.082 120.280 120.500 -0.231 0.000 2.070 654 R HA -0.179 4.161 4.340 -0.001 0.000 0.233 654 R C 2.273 178.490 176.300 -0.140 0.000 1.137 654 R CA 1.799 57.769 56.100 -0.217 0.000 0.945 654 R CB -0.732 29.541 30.300 -0.045 0.000 0.845 654 R HN 0.403 nan 8.270 nan 0.000 0.430 655 E N 0.294 120.472 120.200 -0.037 0.000 2.118 655 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 655 E C 1.473 178.072 176.600 -0.002 0.000 0.992 655 E CA 1.621 58.023 56.400 0.003 0.000 0.804 655 E CB 0.026 29.758 29.700 0.054 0.000 0.741 655 E HN 0.375 nan 8.360 nan 0.000 0.458 656 N N -0.415 118.292 118.700 0.012 0.000 2.135 656 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 656 N C 1.612 177.106 175.510 -0.027 0.000 1.027 656 N CA 0.495 53.596 53.050 0.085 0.000 0.849 656 N CB -0.049 38.582 38.487 0.240 0.000 1.002 656 N HN 0.071 nan 8.380 nan 0.000 0.425 657 L N 1.203 122.280 121.223 -0.243 0.000 2.450 657 L HA 0.053 4.393 4.340 -0.001 0.000 0.224 657 L C -0.103 176.600 176.870 -0.278 0.000 1.149 657 L CA 1.194 55.791 54.840 -0.406 0.000 0.816 657 L CB -0.697 40.962 42.059 -0.667 0.000 0.932 657 L HN 0.066 nan 8.230 nan 0.000 0.449 661 M N 0.893 120.301 119.600 -0.319 0.000 2.435 661 M HA 0.019 4.499 4.480 -0.001 0.000 0.262 661 M C 1.953 178.097 176.300 -0.260 0.000 1.065 661 M CA 1.635 56.722 55.300 -0.355 0.000 1.076 661 M CB -1.270 31.141 32.600 -0.314 0.000 1.403 661 M HN 0.568 nan 8.290 nan 0.000 0.454 662 A N -0.225 122.504 122.820 -0.151 0.000 1.943 662 A HA -0.045 4.274 4.320 -0.001 0.000 0.213 662 A C 2.006 179.584 177.584 -0.010 0.000 1.181 662 A CA 0.928 52.927 52.037 -0.064 0.000 0.653 662 A CB -0.356 18.630 19.000 -0.023 0.000 0.833 662 A HN 0.380 nan 8.150 nan 0.000 0.451 663 N N -0.164 118.535 118.700 -0.003 0.000 2.270 663 N HA -0.054 4.686 4.740 -0.001 0.000 0.181 663 N C 1.387 176.989 175.510 0.154 0.000 1.016 663 N CA 0.753 53.891 53.050 0.146 0.000 0.870 663 N CB -0.235 38.371 38.487 0.199 0.000 0.979 663 N HN 0.275 nan 8.380 nan 0.000 0.431 664 L N 1.473 122.648 121.223 -0.080 0.000 2.141 664 L HA 0.008 4.347 4.340 -0.001 0.000 0.209 664 L C 2.169 179.002 176.870 -0.061 0.000 1.094 664 L CA 1.192 55.917 54.840 -0.190 0.000 0.763 664 L CB -0.350 41.328 42.059 -0.635 0.000 0.908 664 L HN 0.083 nan 8.230 nan 0.000 0.437 665 R N -1.004 119.478 120.500 -0.030 0.000 2.062 665 R HA -0.006 4.334 4.340 -0.001 0.000 0.229 665 R C 1.584 177.973 176.300 0.148 0.000 1.128 665 R CA 1.355 57.535 56.100 0.134 0.000 0.960 665 R CB -0.507 29.841 30.300 0.080 0.000 0.855 665 R HN 0.364 nan 8.270 nan 0.000 0.432 666 S N 0.735 116.508 115.700 0.122 0.000 3.009 666 S HA 0.061 4.530 4.470 -0.001 0.000 0.243 666 S C 0.043 174.688 174.600 0.076 0.000 1.012 666 S CA 0.089 58.357 58.200 0.113 0.000 1.113 666 S CB 0.031 63.321 63.200 0.150 0.000 0.827 666 S HN 0.089 nan 8.310 nan 0.000 0.495 667 T N 1.200 115.807 114.554 0.090 0.000 2.906 667 T HA 0.270 4.620 4.350 -0.001 0.000 0.295 667 T C -0.923 173.828 174.700 0.086 0.000 1.061 667 T CA -0.663 61.463 62.100 0.043 0.000 1.000 667 T CB 1.429 70.354 68.868 0.094 0.000 1.103 667 T HN 0.479 nan 8.240 nan 0.000 0.486 668 H N 3.897 122.892 119.070 -0.126 0.000 2.872 668 H HA 0.282 4.837 4.556 -0.001 0.000 0.273 668 H C -2.356 172.728 175.328 -0.407 0.000 1.205 668 H CA -2.552 53.350 56.048 -0.242 0.000 1.342 668 H CB 0.548 30.146 29.762 -0.274 0.000 1.469 668 H HN 0.163 nan 8.280 nan 0.000 0.487 669 P HA -0.013 nan 4.420 nan 0.000 0.267 669 P C -0.881 175.798 177.300 -1.035 0.000 1.205 669 P CA 0.500 63.204 63.100 -0.661 0.000 0.765 669 P CB 0.648 31.863 31.700 -0.808 0.000 0.828 670 H N 2.868 121.566 119.070 -0.621 0.000 2.658 670 H HA 0.341 4.896 4.556 -0.001 0.000 0.337 670 H C -0.474 174.654 175.328 -0.334 0.000 1.009 670 H CA -0.303 55.513 56.048 -0.386 0.000 1.231 670 H CB 0.627 30.250 29.762 -0.230 0.000 1.508 670 H HN 0.281 nan 8.280 nan 0.000 0.517 671 F N 1.903 121.983 119.950 0.216 0.000 2.421 671 F HA 0.418 4.945 4.527 -0.001 0.000 0.337 671 F C 0.307 176.275 175.800 0.281 0.000 1.105 671 F CA -0.774 57.392 58.000 0.277 0.000 1.049 671 F CB 1.593 40.832 39.000 0.398 0.000 1.139 671 F HN 0.089 nan 8.300 nan 0.000 0.479 672 V N 3.973 124.123 119.914 0.393 0.000 2.524 672 V HA 0.519 4.639 4.120 -0.001 0.000 0.297 672 V C -0.734 175.447 176.094 0.145 0.000 1.035 672 V CA -0.897 61.546 62.300 0.237 0.000 0.867 672 V CB 1.660 33.564 31.823 0.136 0.000 1.004 672 V HN 0.503 nan 8.190 nan 0.000 0.426 673 R N 2.544 123.079 120.500 0.058 0.000 2.288 673 R HA 0.554 4.893 4.340 -0.001 0.000 0.326 673 R C -0.793 175.482 176.300 -0.042 0.000 0.959 673 R CA -0.686 55.367 56.100 -0.078 0.000 0.834 673 R CB 1.129 31.236 30.300 -0.320 0.000 1.157 673 R HN 0.714 nan 8.270 nan 0.000 0.470 674 C N 4.366 123.650 119.300 -0.027 0.000 2.369 674 C HA 0.574 5.033 4.460 -0.001 0.000 0.358 674 C C 0.749 175.704 174.990 -0.059 0.000 1.274 674 C CA -0.612 58.393 59.018 -0.022 0.000 1.935 674 C CB -0.264 27.479 27.740 0.005 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.234 123.749 120.570 -0.090 0.000 2.740 675 I HA 0.517 4.686 4.170 -0.001 0.000 0.303 675 I C -0.256 175.775 176.117 -0.144 0.000 1.044 675 I CA -0.312 60.916 61.300 -0.120 0.000 1.064 675 I CB 1.472 39.377 38.000 -0.159 0.000 1.249 675 I HN 0.577 nan 8.210 nan 0.000 0.433 676 I N 7.511 128.015 120.570 -0.109 0.000 2.420 676 I HA 0.361 4.530 4.170 -0.001 0.000 0.282 676 I C -1.913 174.164 176.117 -0.066 0.000 1.019 676 I CA -2.352 58.903 61.300 -0.075 0.000 1.130 676 I CB 2.058 40.066 38.000 0.015 0.000 1.262 676 I HN 0.379 nan 8.210 nan 0.000 0.454 677 P HA -0.106 nan 4.420 nan 0.000 0.211 677 P C -0.821 176.503 177.300 0.041 0.000 1.179 677 P CA 1.302 64.347 63.100 -0.091 0.000 0.910 677 P CB -0.072 31.580 31.700 -0.079 0.000 0.785 678 N N -2.434 116.362 118.700 0.159 0.000 2.287 678 N HA 0.193 4.933 4.740 -0.001 0.000 0.289 678 N C 0.165 175.739 175.510 0.107 0.000 1.066 678 N CA -0.781 52.337 53.050 0.113 0.000 0.841 678 N CB 1.041 39.594 38.487 0.110 0.000 1.599 678 N HN -0.186 nan 8.380 nan 0.000 0.476 679 E N -0.116 120.113 120.200 0.048 0.000 2.219 679 E HA -0.170 4.180 4.350 -0.001 0.000 0.198 679 E C 0.571 177.162 176.600 -0.015 0.000 0.998 679 E CA 1.620 58.033 56.400 0.023 0.000 0.818 679 E CB -0.100 29.603 29.700 0.006 0.000 0.741 679 E HN 0.837 nan 8.360 nan 0.000 0.477 683 P HA 0.403 nan 4.420 nan 0.000 0.272 683 P C 1.098 178.545 177.300 0.244 0.000 1.230 683 P CA 0.651 63.987 63.100 0.392 0.000 0.788 683 P CB 0.278 32.197 31.700 0.364 0.000 0.949 684 G N -0.402 108.356 108.800 -0.071 0.000 2.187 684 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.261 684 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.261 684 G C 0.264 175.029 174.900 -0.224 0.000 1.000 684 G CA 0.366 45.082 45.100 -0.640 0.000 0.718 684 G HN 0.900 nan 8.290 nan 0.000 0.519 685 A N -1.241 121.712 122.820 0.221 0.000 2.430 685 A HA 0.991 5.310 4.320 -0.001 0.000 0.300 685 A C -0.447 177.326 177.584 0.314 0.000 1.124 685 A CA -0.058 52.121 52.037 0.236 0.000 0.766 685 A CB 1.861 20.943 19.000 0.137 0.000 1.328 685 A HN 1.344 nan 8.150 nan 0.000 0.424 686 M N 1.106 120.791 119.600 0.142 0.000 2.255 686 M HA 0.327 4.807 4.480 -0.001 0.000 0.275 686 M C -1.511 174.805 176.300 0.026 0.000 1.050 686 M CA 0.084 55.425 55.300 0.069 0.000 0.978 686 M CB 1.714 34.351 32.600 0.062 0.000 1.761 686 M HN 0.772 nan 8.290 nan 0.000 0.479 687 E N 3.102 123.307 120.200 0.009 0.000 2.331 687 E HA 0.202 4.551 4.350 -0.001 0.000 0.272 687 E C -0.030 176.607 176.600 0.062 0.000 1.036 687 E CA -0.349 56.032 56.400 -0.031 0.000 0.864 687 E CB 0.974 30.655 29.700 -0.031 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.944 120.970 119.070 -0.073 0.000 2.312 688 H HA -0.155 4.401 4.556 -0.001 0.000 0.299 688 H C 1.948 177.250 175.328 -0.044 0.000 1.051 688 H CA 0.979 56.974 56.048 -0.088 0.000 1.227 688 H CB 0.193 29.901 29.762 -0.090 0.000 1.389 688 H HN 0.666 nan 8.280 nan 0.000 0.524 689 E N 1.333 121.623 120.200 0.149 0.000 2.273 689 E HA -0.206 4.144 4.350 -0.001 0.000 0.198 689 E C 2.206 178.896 176.600 0.151 0.000 1.002 689 E CA 0.880 57.353 56.400 0.121 0.000 0.828 689 E CB -0.114 29.644 29.700 0.096 0.000 0.747 689 E HN 0.377 nan 8.360 nan 0.000 0.491 690 L N 0.071 121.343 121.223 0.081 0.000 2.044 690 L HA -0.129 4.210 4.340 -0.001 0.000 0.205 690 L C 2.318 179.221 176.870 0.055 0.000 1.075 690 L CA 1.062 55.931 54.840 0.048 0.000 0.747 690 L CB -0.131 41.933 42.059 0.007 0.000 0.903 690 L HN -0.033 nan 8.230 nan 0.000 0.435 691 V N 0.013 119.939 119.914 0.020 0.000 2.427 691 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 691 V C 2.553 178.633 176.094 -0.023 0.000 1.051 691 V CA 1.769 64.051 62.300 -0.030 0.000 1.048 691 V CB -0.603 31.172 31.823 -0.081 0.000 0.666 691 V HN 0.425 nan 8.190 nan 0.000 0.456 692 L N -0.732 120.491 121.223 -0.000 0.000 2.043 692 L HA -0.262 4.078 4.340 -0.001 0.000 0.212 692 L C 2.584 179.420 176.870 -0.056 0.000 1.075 692 L CA 1.999 56.823 54.840 -0.027 0.000 0.752 692 L CB -0.685 41.376 42.059 0.003 0.000 0.891 692 L HN 0.390 nan 8.230 nan 0.000 0.432 693 H N -0.091 118.954 119.070 -0.042 0.000 2.251 693 H HA -0.236 4.320 4.556 -0.001 0.000 0.294 693 H C 2.423 177.716 175.328 -0.058 0.000 1.078 693 H CA 2.229 58.250 56.048 -0.044 0.000 1.246 693 H CB -0.120 29.620 29.762 -0.038 0.000 1.358 693 H HN 0.348 nan 8.280 nan 0.000 0.488 694 Q N -0.342 119.509 119.800 0.085 0.000 2.112 694 Q HA -0.192 4.148 4.340 -0.001 0.000 0.206 694 Q C 2.259 178.216 176.000 -0.072 0.000 0.987 694 Q CA 1.494 57.297 55.803 0.001 0.000 0.858 694 Q CB -0.350 28.372 28.738 -0.025 0.000 0.905 694 Q HN 0.320 nan 8.270 nan 0.000 0.420 695 L N 0.933 122.102 121.223 -0.092 0.000 2.127 695 L HA -0.190 4.150 4.340 -0.001 0.000 0.211 695 L C 2.399 179.191 176.870 -0.130 0.000 1.089 695 L CA 1.760 56.522 54.840 -0.130 0.000 0.757 695 L CB -0.419 41.569 42.059 -0.119 0.000 0.899 695 L HN 0.170 nan 8.230 nan 0.000 0.434 696 R N -2.088 118.340 120.500 -0.119 0.000 2.075 696 R HA -0.027 4.312 4.340 -0.001 0.000 0.226 696 R C 2.135 178.399 176.300 -0.061 0.000 1.114 696 R CA 1.496 57.533 56.100 -0.105 0.000 0.972 696 R CB -0.857 29.351 30.300 -0.154 0.000 0.869 696 R HN 0.326 nan 8.270 nan 0.000 0.437 697 C N 0.680 119.936 119.300 -0.074 0.000 2.539 697 C HA 0.104 4.563 4.460 -0.001 0.000 0.268 697 C C 1.963 176.960 174.990 0.011 0.000 1.395 697 C CA 0.034 59.025 59.018 -0.044 0.000 1.757 697 C CB -1.448 26.285 27.740 -0.011 0.000 1.851 697 C HN 0.525 nan 8.230 nan 0.000 0.545 698 N N 0.211 118.853 118.700 -0.098 0.000 2.173 698 N HA 0.103 4.843 4.740 -0.001 0.000 0.184 698 N C 1.668 176.960 175.510 -0.363 0.000 1.025 698 N CA 1.291 54.206 53.050 -0.226 0.000 0.852 698 N CB 0.025 38.301 38.487 -0.353 0.000 0.998 698 N HN 0.551 nan 8.380 nan 0.000 0.427 699 G N -0.731 107.860 108.800 -0.350 0.000 2.255 699 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.196 699 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.196 699 G C 0.854 175.603 174.900 -0.251 0.000 0.998 699 G CA 0.174 45.040 45.100 -0.389 0.000 0.656 699 G HN 0.150 nan 8.290 nan 0.000 0.490 700 V N 0.756 120.434 119.914 -0.393 0.000 2.287 700 V HA -0.114 4.005 4.120 -0.001 0.000 0.248 700 V C 2.698 178.801 176.094 0.014 0.000 1.053 700 V CA 2.322 64.540 62.300 -0.138 0.000 1.027 700 V CB -0.309 31.358 31.823 -0.260 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.669 120.516 121.223 -0.064 0.000 2.376 701 L HA -0.014 4.326 4.340 -0.001 0.000 0.219 701 L C 2.260 179.116 176.870 -0.023 0.000 1.133 701 L CA 1.537 56.350 54.840 -0.044 0.000 0.816 701 L CB -0.792 41.228 42.059 -0.066 0.000 0.933 701 L HN 0.350 nan 8.230 nan 0.000 0.449 702 E N -1.125 119.064 120.200 -0.019 0.000 2.318 702 E HA 0.008 4.357 4.350 -0.001 0.000 0.193 702 E C 1.962 178.576 176.600 0.023 0.000 0.998 702 E CA 0.693 57.085 56.400 -0.013 0.000 0.859 702 E CB 0.239 29.907 29.700 -0.054 0.000 0.812 702 E HN 0.483 nan 8.360 nan 0.000 0.492 703 G N 0.730 109.598 108.800 0.113 0.000 2.464 703 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.217 703 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.217 703 G C 1.484 176.394 174.900 0.016 0.000 1.138 703 G CA 0.038 45.224 45.100 0.143 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.334 120.914 120.570 0.017 0.000 2.286 704 I HA 0.112 4.282 4.170 -0.001 0.000 0.245 704 I C 2.696 178.776 176.117 -0.062 0.000 1.104 704 I CA 0.517 61.803 61.300 -0.024 0.000 1.397 704 I CB -0.331 37.655 38.000 -0.022 0.000 1.072 704 I HN -0.028 nan 8.210 nan 0.000 0.417 705 R N 0.437 120.902 120.500 -0.059 0.000 2.103 705 R HA -0.135 4.204 4.340 -0.001 0.000 0.234 705 R C 2.263 178.494 176.300 -0.115 0.000 1.132 705 R CA 1.845 57.904 56.100 -0.068 0.000 0.925 705 R CB -0.614 29.657 30.300 -0.047 0.000 0.842 705 R HN 0.248 nan 8.270 nan 0.000 0.430 706 I N -0.318 120.133 120.570 -0.199 0.000 2.423 706 I HA -0.384 3.786 4.170 -0.001 0.000 0.254 706 I C 2.190 178.122 176.117 -0.308 0.000 1.151 706 I CA 0.832 61.883 61.300 -0.414 0.000 1.421 706 I CB -0.222 37.370 38.000 -0.680 0.000 1.079 706 I HN 0.371 nan 8.210 nan 0.000 0.431 707 C N 0.577 119.765 119.300 -0.186 0.000 2.500 707 C HA -0.109 4.350 4.460 -0.001 0.000 0.279 707 C C 2.814 177.743 174.990 -0.101 0.000 1.288 707 C CA 0.678 59.626 59.018 -0.116 0.000 1.710 707 C CB -0.886 26.810 27.740 -0.074 0.000 2.052 707 C HN 0.515 nan 8.230 nan 0.000 0.488 708 R N 0.811 121.244 120.500 -0.111 0.000 2.369 708 R HA -0.012 4.328 4.340 -0.001 0.000 0.200 708 R C 1.027 177.253 176.300 -0.124 0.000 1.046 708 R CA 1.061 57.084 56.100 -0.128 0.000 1.057 708 R CB -0.383 29.844 30.300 -0.121 0.000 0.888 708 R HN 0.443 nan 8.270 nan 0.000 0.474 709 K N 0.242 120.589 120.400 -0.089 0.000 2.493 709 K HA 0.196 4.516 4.320 -0.001 0.000 0.207 709 K C 0.135 176.719 176.600 -0.026 0.000 1.033 709 K CA 0.019 56.303 56.287 -0.004 0.000 1.161 709 K CB 1.385 33.945 32.500 0.099 0.000 0.873 709 K HN 0.428 nan 8.250 nan 0.000 0.491 710 G N -0.068 108.576 108.800 -0.260 0.000 3.321 710 G HA2 0.313 4.273 3.960 -0.001 0.000 0.169 710 G HA3 0.313 4.273 3.960 -0.001 0.000 0.169 710 G C -1.302 173.249 174.900 -0.582 0.000 1.153 710 G CA -0.525 44.382 45.100 -0.323 0.000 1.007 710 G HN 0.065 nan 8.290 nan 0.000 0.668 711 F N 2.457 122.390 119.950 -0.029 0.000 2.363 711 F HA 0.417 4.944 4.527 -0.001 0.000 0.366 711 F C -1.596 174.236 175.800 0.054 0.000 1.083 711 F CA -1.635 56.391 58.000 0.044 0.000 1.176 711 F CB 2.106 41.222 39.000 0.192 0.000 1.432 711 F HN 0.089 nan 8.300 nan 0.000 0.482 712 P HA -0.135 nan 4.420 nan 0.000 0.203 712 P C 0.109 177.392 177.300 -0.028 0.000 0.967 712 P CA 0.983 64.065 63.100 -0.030 0.000 0.946 712 P CB -0.266 31.364 31.700 -0.116 0.000 0.690 713 S N 1.275 116.945 115.700 -0.049 0.000 2.544 713 S HA 0.128 4.597 4.470 -0.001 0.000 0.290 713 S C 0.340 174.922 174.600 -0.030 0.000 1.276 713 S CA -0.231 57.937 58.200 -0.052 0.000 1.075 713 S CB -0.520 62.654 63.200 -0.045 0.000 0.849 713 S HN 0.180 nan 8.310 nan 0.000 0.494 714 R N 1.347 121.751 120.500 -0.160 0.000 2.473 714 R HA 0.525 4.865 4.340 -0.001 0.000 0.303 714 R C -1.672 174.490 176.300 -0.230 0.000 1.002 714 R CA -0.821 55.031 56.100 -0.413 0.000 0.884 714 R CB 0.785 30.504 30.300 -0.969 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.477 124.316 119.914 -0.126 0.000 2.465 715 V HA 0.220 4.340 4.120 -0.001 0.000 0.279 715 V C 0.369 176.353 176.094 -0.183 0.000 1.045 715 V CA -0.837 61.451 62.300 -0.019 0.000 0.938 715 V CB 1.501 33.462 31.823 0.230 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.442 125.628 121.223 -0.062 0.000 2.380 716 L HA 0.259 4.598 4.340 -0.001 0.000 0.273 716 L C 0.863 177.777 176.870 0.072 0.000 1.138 716 L CA 0.232 55.040 54.840 -0.054 0.000 0.832 716 L CB 0.579 42.659 42.059 0.034 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.309 123.676 120.300 0.112 0.000 2.062 717 Y HA -0.378 4.171 4.550 -0.001 0.000 0.276 717 Y C 2.228 178.238 175.900 0.184 0.000 1.189 717 Y CA 2.102 60.292 58.100 0.151 0.000 1.130 717 Y CB -0.864 37.654 38.460 0.096 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.167 122.816 122.820 0.271 0.000 1.898 718 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 718 A C 1.815 179.476 177.584 0.128 0.000 1.181 718 A CA 1.913 54.038 52.037 0.146 0.000 0.620 718 A CB -0.931 18.125 19.000 0.094 0.000 0.819 718 A HN 0.447 nan 8.150 nan 0.000 0.442 719 D N -1.796 118.693 120.400 0.149 0.000 2.311 719 D HA -0.096 4.543 4.640 -0.001 0.000 0.212 719 D C 1.295 177.704 176.300 0.183 0.000 0.972 719 D CA 0.987 55.061 54.000 0.123 0.000 0.887 719 D CB -0.157 40.714 40.800 0.118 0.000 0.915 719 D HN 0.521 nan 8.370 nan 0.000 0.497 720 F N 0.461 120.487 119.950 0.125 0.000 2.446 720 F HA 0.191 4.718 4.527 -0.001 0.000 0.292 720 F C 1.911 177.836 175.800 0.208 0.000 1.096 720 F CA 0.565 58.683 58.000 0.197 0.000 1.438 720 F CB 0.209 39.316 39.000 0.177 0.000 1.107 720 F HN -0.305 nan 8.300 nan 0.000 0.546 721 K N 0.406 120.903 120.400 0.162 0.000 1.963 721 K HA -0.268 4.052 4.320 -0.001 0.000 0.216 721 K C 2.170 178.708 176.600 -0.103 0.000 1.045 721 K CA 1.892 58.180 56.287 0.002 0.000 0.954 721 K CB -0.527 31.925 32.500 -0.080 0.000 0.732 721 K HN 0.297 nan 8.250 nan 0.000 0.442 722 Q N 0.706 120.445 119.800 -0.102 0.000 2.045 722 Q HA -0.309 4.031 4.340 -0.001 0.000 0.215 722 Q C 2.057 177.958 176.000 -0.165 0.000 1.026 722 Q CA 2.292 58.030 55.803 -0.108 0.000 0.885 722 Q CB -0.225 28.466 28.738 -0.077 0.000 0.984 722 Q HN 0.176 nan 8.270 nan 0.000 0.414 723 R N -1.391 118.965 120.500 -0.241 0.000 2.152 723 R HA -0.126 4.213 4.340 -0.001 0.000 0.232 723 R C 0.932 176.790 176.300 -0.736 0.000 1.117 723 R CA 1.601 57.403 56.100 -0.497 0.000 0.981 723 R CB 0.095 30.014 30.300 -0.635 0.000 0.870 723 R HN 0.525 nan 8.270 nan 0.000 0.451 724 Y N -1.798 118.290 120.300 -0.354 0.000 2.527 724 Y HA 0.233 4.783 4.550 -0.001 0.000 0.247 724 Y C 1.823 177.595 175.900 -0.214 0.000 1.138 724 Y CA -0.508 57.380 58.100 -0.353 0.000 1.228 724 Y CB 0.123 38.204 38.460 -0.631 0.000 1.252 724 Y HN -0.140 nan 8.280 nan 0.000 0.531 725 R N 0.687 121.166 120.500 -0.035 0.000 2.134 725 R HA -0.210 4.130 4.340 -0.001 0.000 0.248 725 R C 1.576 177.909 176.300 0.056 0.000 1.143 725 R CA 2.268 58.391 56.100 0.038 0.000 0.957 725 R CB -0.599 29.743 30.300 0.069 0.000 0.867 725 R HN 0.212 nan 8.270 nan 0.000 0.441 726 V N 1.368 121.293 119.914 0.018 0.000 2.764 726 V HA -0.253 3.866 4.120 -0.001 0.000 0.261 726 V C 2.164 178.272 176.094 0.023 0.000 1.108 726 V CA 1.512 63.819 62.300 0.012 0.000 1.129 726 V CB -0.468 31.336 31.823 -0.031 0.000 0.701 726 V HN 0.333 nan 8.190 nan 0.000 0.495 727 L N -0.616 120.631 121.223 0.040 0.000 2.179 727 L HA 0.025 4.365 4.340 -0.001 0.000 0.208 727 L C 1.632 178.534 176.870 0.055 0.000 1.096 727 L CA 1.471 56.341 54.840 0.050 0.000 0.779 727 L CB -0.115 41.986 42.059 0.070 0.000 0.922 727 L HN 0.370 nan 8.230 nan 0.000 0.443 728 N N -1.284 117.455 118.700 0.065 0.000 2.595 728 N HA 0.149 4.889 4.740 -0.001 0.000 0.291 728 N C 1.101 176.655 175.510 0.074 0.000 1.706 728 N CA 0.545 53.636 53.050 0.068 0.000 0.867 728 N CB 0.689 39.224 38.487 0.080 0.000 1.414 728 N HN 0.121 nan 8.380 nan 0.000 0.492 729 A N 0.744 123.604 122.820 0.066 0.000 1.836 729 A HA -0.418 3.902 4.320 -0.001 0.000 0.269 729 A C 2.214 179.850 177.584 0.087 0.000 2.597 729 A CA 3.119 55.199 52.037 0.072 0.000 0.810 729 A CB -1.380 17.648 19.000 0.047 0.000 0.833 729 A HN 0.609 nan 8.150 nan 0.000 0.542 730 S N -0.411 115.327 115.700 0.063 0.000 2.348 730 S HA 0.097 4.567 4.470 -0.001 0.000 0.221 730 S C 2.101 176.749 174.600 0.080 0.000 1.033 730 S CA 1.842 60.074 58.200 0.054 0.000 1.010 730 S CB -0.916 62.305 63.200 0.035 0.000 0.891 730 S HN 1.505 nan 8.310 nan 0.000 0.442 731 A N 0.866 123.737 122.820 0.085 0.000 2.072 731 A HA 0.388 4.707 4.320 -0.001 0.000 0.216 731 A C 2.127 179.788 177.584 0.128 0.000 1.156 731 A CA 0.539 52.634 52.037 0.096 0.000 0.701 731 A CB -0.539 18.512 19.000 0.085 0.000 0.816 731 A HN 0.560 nan 8.150 nan 0.000 0.458 732 I N -0.018 120.636 120.570 0.139 0.000 2.585 732 I HA -0.039 4.131 4.170 -0.001 0.000 0.254 732 I C -0.737 175.501 176.117 0.201 0.000 1.129 732 I CA 0.436 61.832 61.300 0.159 0.000 1.455 732 I CB -0.742 37.340 38.000 0.137 0.000 1.111 732 I HN 0.171 nan 8.210 nan 0.000 0.433 733 P HA -0.136 nan 4.420 nan 0.000 0.216 733 P C 1.283 179.070 177.300 0.812 0.000 1.153 733 P CA 1.462 64.938 63.100 0.626 0.000 0.844 733 P CB -0.035 31.965 31.700 0.500 0.000 0.787 734 E N -0.286 120.139 120.200 0.376 0.000 2.085 734 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 734 E C 2.355 179.114 176.600 0.264 0.000 0.994 734 E CA 1.408 57.969 56.400 0.268 0.000 0.801 734 E CB -0.954 28.820 29.700 0.124 0.000 0.743 734 E HN 0.260 nan 8.360 nan 0.000 0.453 735 G N 1.106 110.025 108.800 0.199 0.000 2.421 735 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.216 735 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.216 735 G C 1.437 176.393 174.900 0.093 0.000 1.171 735 G CA 0.640 45.816 45.100 0.127 0.000 0.775 735 G HN 0.196 nan 8.290 nan 0.000 0.543 736 Q N -0.636 119.202 119.800 0.063 0.000 2.119 736 Q HA -0.008 4.331 4.340 -0.001 0.000 0.201 736 Q C 2.310 178.191 176.000 -0.199 0.000 0.972 736 Q CA 1.050 56.784 55.803 -0.115 0.000 0.847 736 Q CB -0.191 28.361 28.738 -0.310 0.000 0.903 736 Q HN 0.597 nan 8.270 nan 0.000 0.433 737 F N -0.301 119.674 119.950 0.043 0.000 2.234 737 F HA -0.076 4.451 4.527 -0.001 0.000 0.296 737 F C 2.189 178.000 175.800 0.018 0.000 1.089 737 F CA 0.595 58.613 58.000 0.029 0.000 1.343 737 F CB -0.127 38.888 39.000 0.024 0.000 1.040 737 F HN 0.042 nan 8.300 nan 0.000 0.498 738 M N -0.728 118.997 119.600 0.209 0.000 2.254 738 M HA -0.003 4.477 4.480 -0.001 0.000 0.265 738 M C -0.278 176.052 176.300 0.049 0.000 1.066 738 M CA 1.215 56.581 55.300 0.111 0.000 1.123 738 M CB -0.871 31.785 32.600 0.095 0.000 1.388 738 M HN 0.014 nan 8.290 nan 0.000 0.425 739 D N -0.838 119.576 120.400 0.023 0.000 2.613 739 D HA 0.170 4.810 4.640 -0.001 0.000 0.230 739 D C 0.499 176.760 176.300 -0.065 0.000 1.365 739 D CA -0.005 53.979 54.000 -0.026 0.000 0.976 739 D CB 1.149 41.915 40.800 -0.058 0.000 1.415 739 D HN -0.083 nan 8.370 nan 0.000 0.589 740 S N 3.626 119.292 115.700 -0.056 0.000 2.409 740 S HA -0.297 4.172 4.470 -0.001 0.000 0.237 740 S C 1.519 176.033 174.600 -0.143 0.000 1.060 740 S CA 2.450 60.615 58.200 -0.059 0.000 1.052 740 S CB 0.041 63.232 63.200 -0.015 0.000 0.871 740 S HN 0.601 nan 8.310 nan 0.000 0.465 741 K N 0.255 120.480 120.400 -0.292 0.000 2.161 741 K HA 0.179 4.498 4.320 -0.001 0.000 0.205 741 K C 2.240 178.526 176.600 -0.524 0.000 1.035 741 K CA 0.589 56.412 56.287 -0.774 0.000 0.970 741 K CB -0.551 31.539 32.500 -0.683 0.000 0.866 741 K HN 0.167 nan 8.250 nan 0.000 0.461 742 K N 0.567 120.798 120.400 -0.282 0.000 2.228 742 K HA -0.211 4.109 4.320 -0.001 0.000 0.205 742 K C 1.825 178.375 176.600 -0.083 0.000 1.045 742 K CA 1.331 57.519 56.287 -0.166 0.000 0.931 742 K CB -0.256 32.183 32.500 -0.103 0.000 0.727 742 K HN 0.359 nan 8.250 nan 0.000 0.458 743 A N 0.758 123.543 122.820 -0.058 0.000 1.834 743 A HA -0.185 4.135 4.320 -0.001 0.000 0.216 743 A C 2.130 179.787 177.584 0.123 0.000 1.203 743 A CA 2.280 54.339 52.037 0.037 0.000 0.621 743 A CB -1.021 17.992 19.000 0.022 0.000 0.841 743 A HN 0.417 nan 8.150 nan 0.000 0.446 744 S N 0.014 115.827 115.700 0.188 0.000 2.407 744 S HA -0.232 4.237 4.470 -0.001 0.000 0.235 744 S C 1.833 176.643 174.600 0.351 0.000 1.036 744 S CA 1.479 59.917 58.200 0.397 0.000 1.013 744 S CB -0.431 63.096 63.200 0.544 0.000 0.820 744 S HN 0.582 nan 8.310 nan 0.000 0.476 745 E N 1.245 121.584 120.200 0.232 0.000 2.001 745 E HA -0.166 4.184 4.350 -0.001 0.000 0.195 745 E C 2.178 178.881 176.600 0.171 0.000 1.002 745 E CA 1.202 57.703 56.400 0.170 0.000 0.819 745 E CB -0.257 29.355 29.700 -0.146 0.000 0.769 745 E HN 0.282 nan 8.360 nan 0.000 0.454 746 K N 0.962 121.419 120.400 0.095 0.000 2.089 746 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 746 K C 2.271 178.966 176.600 0.159 0.000 1.048 746 K CA 1.018 57.368 56.287 0.105 0.000 0.926 746 K CB -0.593 31.954 32.500 0.078 0.000 0.714 746 K HN 0.076 nan 8.250 nan 0.000 0.448 747 L N 0.108 121.449 121.223 0.197 0.000 1.990 747 L HA -0.215 4.124 4.340 -0.001 0.000 0.213 747 L C 1.759 178.750 176.870 0.201 0.000 1.072 747 L CA 1.392 56.358 54.840 0.210 0.000 0.755 747 L CB -0.236 41.983 42.059 0.266 0.000 0.889 747 L HN 0.183 nan 8.230 nan 0.000 0.432 748 L N 0.058 121.414 121.223 0.221 0.000 2.651 748 L HA -0.151 4.189 4.340 -0.001 0.000 0.236 748 L C 2.366 179.366 176.870 0.216 0.000 1.173 748 L CA 1.055 55.970 54.840 0.125 0.000 0.843 748 L CB -1.168 40.863 42.059 -0.046 0.000 0.964 748 L HN 0.365 nan 8.230 nan 0.000 0.454 749 G N -0.385 108.565 108.800 0.250 0.000 2.513 749 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.219 749 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.219 749 G C 0.969 176.044 174.900 0.291 0.000 1.160 749 G CA 0.723 45.982 45.100 0.265 0.000 0.767 749 G HN 0.490 nan 8.290 nan 0.000 0.571 750 G N -1.671 107.251 108.800 0.204 0.000 2.547 750 G HA2 0.619 4.579 3.960 -0.001 0.000 0.291 750 G HA3 0.619 4.579 3.960 -0.001 0.000 0.291 750 G C 0.181 175.183 174.900 0.170 0.000 1.211 750 G CA 0.208 45.413 45.100 0.176 0.000 0.950 750 G HN 1.477 nan 8.290 nan 0.000 0.504 751 G N -0.679 108.209 108.800 0.147 0.000 2.770 751 G HA2 0.165 4.124 3.960 -0.001 0.000 0.686 751 G HA3 0.165 4.124 3.960 -0.001 0.000 0.686 751 G C -0.253 174.751 174.900 0.173 0.000 1.180 751 G CA 0.213 45.385 45.100 0.121 0.000 0.767 751 G HN 1.140 nan 8.290 nan 0.000 0.646 752 D N -0.085 120.390 120.400 0.126 0.000 2.870 752 D HA 0.340 4.979 4.640 -0.001 0.000 0.241 752 D C 1.082 177.470 176.300 0.147 0.000 1.234 752 D CA 0.300 54.382 54.000 0.137 0.000 0.844 752 D CB -0.037 40.818 40.800 0.091 0.000 1.051 752 D HN 0.751 nan 8.370 nan 0.000 0.469 753 V N -1.792 118.226 119.914 0.174 0.000 2.644 753 V HA 0.291 4.410 4.120 -0.001 0.000 0.295 753 V C 0.738 176.984 176.094 0.254 0.000 1.053 753 V CA -1.126 61.256 62.300 0.136 0.000 0.987 753 V CB 1.455 33.282 31.823 0.006 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.655 122.187 120.400 0.220 0.000 2.349 754 D HA 0.056 4.695 4.640 -0.001 0.000 0.266 754 D C 0.471 176.971 176.300 0.334 0.000 1.293 754 D CA 0.226 54.375 54.000 0.249 0.000 0.926 754 D CB 0.468 41.362 40.800 0.156 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.075 120.255 119.070 0.183 0.000 2.556 755 H HA 0.011 4.567 4.556 -0.001 0.000 0.273 755 H C 1.479 176.530 175.328 -0.461 0.000 1.030 755 H CA 0.413 56.488 56.048 0.046 0.000 1.156 755 H CB 0.337 30.188 29.762 0.150 0.000 1.326 755 H HN 0.259 nan 8.280 nan 0.000 0.609 756 T N -0.222 114.243 114.554 -0.149 0.000 2.914 756 T HA -0.092 4.257 4.350 -0.001 0.000 0.240 756 T C 1.791 176.399 174.700 -0.153 0.000 1.025 756 T CA 0.248 62.256 62.100 -0.153 0.000 1.198 756 T CB 0.033 68.891 68.868 -0.016 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.211 121.034 119.800 0.037 0.000 2.480 757 Q HA -0.145 4.195 4.340 -0.001 0.000 0.217 757 Q C 0.265 176.449 176.000 0.307 0.000 0.993 757 Q CA 1.294 57.217 55.803 0.200 0.000 0.908 757 Q CB -0.870 28.005 28.738 0.229 0.000 0.927 757 Q HN 0.790 nan 8.270 nan 0.000 0.471 758 Y N -2.466 117.782 120.300 -0.087 0.000 2.686 758 Y HA 0.805 5.355 4.550 -0.001 0.000 0.330 758 Y C -0.557 174.971 175.900 -0.620 0.000 1.082 758 Y CA -2.001 55.816 58.100 -0.473 0.000 1.158 758 Y CB 1.046 38.938 38.460 -0.945 0.000 1.333 758 Y HN -0.106 nan 8.280 nan 0.000 0.519 759 A N 0.762 123.162 122.820 -0.701 0.000 2.565 759 A HA 0.645 4.965 4.320 -0.001 0.000 0.298 759 A C -2.089 175.226 177.584 -0.448 0.000 1.062 759 A CA -0.791 50.904 52.037 -0.569 0.000 0.723 759 A CB 0.144 18.749 19.000 -0.658 0.000 1.282 759 A HN 0.561 nan 8.150 nan 0.000 0.400 760 F N 0.978 120.841 119.950 -0.144 0.000 2.450 760 F HA 0.889 5.416 4.527 -0.001 0.000 0.328 760 F C 1.093 176.889 175.800 -0.007 0.000 1.068 760 F CA -0.033 57.954 58.000 -0.021 0.000 1.007 760 F CB 2.085 41.139 39.000 0.091 0.000 1.251 760 F HN 0.970 nan 8.300 nan 0.000 0.492 761 G N -1.572 107.421 108.800 0.321 0.000 2.601 761 G HA2 0.284 4.243 3.960 -0.001 0.000 0.291 761 G HA3 0.284 4.243 3.960 -0.001 0.000 0.291 761 G C -0.343 174.746 174.900 0.315 0.000 1.456 761 G CA -0.687 44.518 45.100 0.175 0.000 0.804 761 G HN 0.805 nan 8.290 nan 0.000 0.499 762 H N -0.787 118.383 119.070 0.167 0.000 2.456 762 H HA -0.161 4.394 4.556 -0.001 0.000 0.288 762 H C 1.170 176.636 175.328 0.229 0.000 1.130 762 H CA 1.557 57.703 56.048 0.163 0.000 1.173 762 H CB -0.239 29.575 29.762 0.087 0.000 1.350 762 H HN 0.424 nan 8.280 nan 0.000 0.498 766 F N 2.699 122.236 119.950 -0.688 0.000 2.480 766 F HA 0.906 5.432 4.527 -0.001 0.000 0.329 766 F C -0.275 175.224 175.800 -0.502 0.000 1.091 766 F CA -0.589 57.139 58.000 -0.453 0.000 0.972 766 F CB 1.710 40.444 39.000 -0.443 0.000 1.150 766 F HN 0.312 nan 8.300 nan 0.000 0.467 770 G N 0.102 108.856 108.800 -0.077 0.000 3.156 770 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.352 770 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.352 770 G C 0.874 175.805 174.900 0.053 0.000 0.772 770 G CA 1.856 47.003 45.100 0.080 0.000 0.650 770 G HN 1.333 nan 8.290 nan 0.000 0.646 771 L N -1.291 119.935 121.223 0.004 0.000 2.185 771 L HA 0.351 4.690 4.340 -0.001 0.000 0.198 771 L C 2.554 179.443 176.870 0.031 0.000 1.079 771 L CA 0.717 55.566 54.840 0.016 0.000 0.780 771 L CB -0.359 41.698 42.059 -0.004 0.000 0.955 771 L HN 0.126 nan 8.230 nan 0.000 0.462 772 L N 0.360 121.603 121.223 0.033 0.000 2.129 772 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 772 L C 2.383 179.249 176.870 -0.007 0.000 1.087 772 L CA 2.006 56.863 54.840 0.028 0.000 0.757 772 L CB -1.559 40.525 42.059 0.040 0.000 0.896 772 L HN 0.422 nan 8.230 nan 0.000 0.434 773 G N -1.338 107.462 108.800 -0.001 0.000 2.418 773 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.217 773 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.217 773 G C 1.681 176.607 174.900 0.043 0.000 1.158 773 G CA 0.772 45.885 45.100 0.022 0.000 0.771 773 G HN 0.318 nan 8.290 nan 0.000 0.545 774 L N -0.269 120.986 121.223 0.053 0.000 2.027 774 L HA 0.045 4.384 4.340 -0.001 0.000 0.206 774 L C 2.723 179.618 176.870 0.042 0.000 1.074 774 L CA 0.882 55.754 54.840 0.054 0.000 0.745 774 L CB -0.421 41.670 42.059 0.053 0.000 0.898 774 L HN 0.097 nan 8.230 nan 0.000 0.433 775 L N -0.540 120.707 121.223 0.039 0.000 1.951 775 L HA -0.297 4.043 4.340 -0.001 0.000 0.222 775 L C 2.603 179.494 176.870 0.036 0.000 1.078 775 L CA 1.772 56.636 54.840 0.040 0.000 0.778 775 L CB -1.299 40.789 42.059 0.049 0.000 0.893 775 L HN 0.288 nan 8.230 nan 0.000 0.436 776 E N -0.376 119.840 120.200 0.027 0.000 2.136 776 E HA -0.324 4.026 4.350 -0.001 0.000 0.208 776 E C 2.107 178.725 176.600 0.030 0.000 1.035 776 E CA 1.742 58.157 56.400 0.025 0.000 0.838 776 E CB -0.319 29.390 29.700 0.015 0.000 0.748 776 E HN 0.661 nan 8.360 nan 0.000 0.459 777 E N 0.168 120.387 120.200 0.032 0.000 2.049 777 E HA -0.223 4.127 4.350 -0.001 0.000 0.198 777 E C 2.228 178.845 176.600 0.028 0.000 1.007 777 E CA 1.606 58.025 56.400 0.032 0.000 0.809 777 E CB -0.165 29.558 29.700 0.039 0.000 0.749 777 E HN 0.231 nan 8.360 nan 0.000 0.450 778 M N 0.244 119.862 119.600 0.030 0.000 2.108 778 M HA -0.190 4.290 4.480 -0.001 0.000 0.261 778 M C 2.714 179.031 176.300 0.028 0.000 1.066 778 M CA 1.773 57.090 55.300 0.028 0.000 1.107 778 M CB -0.383 32.235 32.600 0.030 0.000 1.356 778 M HN 0.124 nan 8.290 nan 0.000 0.406 779 R N 0.636 121.154 120.500 0.031 0.000 2.083 779 R HA -0.193 4.147 4.340 -0.001 0.000 0.237 779 R C 1.545 177.862 176.300 0.027 0.000 1.137 779 R CA 2.118 58.237 56.100 0.033 0.000 0.951 779 R CB -0.356 29.966 30.300 0.038 0.000 0.851 779 R HN 0.281 nan 8.270 nan 0.000 0.434 780 D N 0.871 121.286 120.400 0.025 0.000 2.126 780 D HA -0.138 4.501 4.640 -0.001 0.000 0.190 780 D C 0.271 176.581 176.300 0.016 0.000 1.001 780 D CA 1.292 55.304 54.000 0.020 0.000 0.841 780 D CB -0.575 40.235 40.800 0.017 0.000 0.949 780 D HN 0.280 nan 8.370 nan 0.000 0.446 784 A N 0.214 123.040 122.820 0.010 0.000 1.892 784 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 784 A C 1.958 179.547 177.584 0.007 0.000 1.188 784 A CA 2.266 54.307 52.037 0.007 0.000 0.631 784 A CB -0.382 18.621 19.000 0.006 0.000 0.822 784 A HN 0.368 nan 8.150 nan 0.000 0.447 785 E N -0.590 119.615 120.200 0.008 0.000 2.448 785 E HA -0.124 4.226 4.350 -0.001 0.000 0.203 785 E C 1.409 178.014 176.600 0.008 0.000 1.046 785 E CA 0.798 57.203 56.400 0.008 0.000 0.871 785 E CB -0.189 29.517 29.700 0.010 0.000 0.790 785 E HN 0.747 nan 8.360 nan 0.000 0.545 786 I N -1.453 119.122 120.570 0.009 0.000 3.578 786 I HA -0.045 4.124 4.170 -0.001 0.000 0.238 786 I C 1.980 178.101 176.117 0.007 0.000 1.080 786 I CA -0.134 61.171 61.300 0.009 0.000 1.538 786 I CB -0.217 37.790 38.000 0.011 0.000 1.477 786 I HN 0.010 nan 8.210 nan 0.000 0.464 787 I N 1.338 121.913 120.570 0.008 0.000 2.093 787 I HA -0.450 3.720 4.170 -0.001 0.000 0.239 787 I C 2.506 178.627 176.117 0.006 0.000 1.026 787 I CA 2.311 63.615 61.300 0.006 0.000 1.295 787 I CB -0.487 37.517 38.000 0.006 0.000 1.007 787 I HN 0.368 nan 8.210 nan 0.000 0.401 788 T N 0.688 115.247 114.554 0.007 0.000 2.684 788 T HA -0.324 4.025 4.350 -0.001 0.000 0.267 788 T C 1.782 176.487 174.700 0.008 0.000 1.032 788 T CA 1.898 64.003 62.100 0.008 0.000 1.155 788 T CB -0.444 68.428 68.868 0.007 0.000 0.857 788 T HN 0.605 nan 8.240 nan 0.000 0.457 789 A N 0.554 123.379 122.820 0.007 0.000 1.929 789 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 789 A C 2.527 180.114 177.584 0.006 0.000 1.176 789 A CA 1.808 53.850 52.037 0.007 0.000 0.628 789 A CB -0.842 18.163 19.000 0.007 0.000 0.816 789 A HN 0.473 nan 8.150 nan 0.000 0.444 790 T N -0.094 114.462 114.554 0.003 0.000 3.055 790 T HA -0.056 4.293 4.350 -0.001 0.000 0.265 790 T C 1.946 176.646 174.700 -0.001 0.000 1.111 790 T CA 1.164 63.262 62.100 -0.003 0.000 1.118 790 T CB -0.091 68.773 68.868 -0.007 0.000 0.909 790 T HN 0.564 nan 8.240 nan 0.000 0.501 791 Q N 0.937 120.741 119.800 0.006 0.000 1.969 791 Q HA 0.006 4.345 4.340 -0.001 0.000 0.198 791 Q C 2.837 178.850 176.000 0.022 0.000 0.978 791 Q CA 1.255 57.066 55.803 0.013 0.000 0.830 791 Q CB -0.437 28.309 28.738 0.013 0.000 0.896 791 Q HN 0.497 nan 8.270 nan 0.000 0.431 792 A N 1.936 124.769 122.820 0.021 0.000 1.887 792 A HA -0.390 3.929 4.320 -0.001 0.000 0.225 792 A C 2.051 179.661 177.584 0.042 0.000 1.464 792 A CA 2.694 54.748 52.037 0.028 0.000 0.717 792 A CB -0.976 18.036 19.000 0.020 0.000 0.848 792 A HN 0.318 nan 8.150 nan 0.000 0.477 793 R N -0.142 120.380 120.500 0.036 0.000 2.112 793 R HA -0.195 4.145 4.340 -0.001 0.000 0.242 793 R C 2.077 178.435 176.300 0.096 0.000 1.137 793 R CA 2.568 58.699 56.100 0.050 0.000 0.944 793 R CB -1.757 28.551 30.300 0.014 0.000 0.857 793 R HN 0.655 nan 8.270 nan 0.000 0.435 794 C N 0.349 119.682 119.300 0.055 0.000 2.359 794 C HA -0.129 4.331 4.460 -0.001 0.000 0.277 794 C C 2.626 177.727 174.990 0.185 0.000 1.192 794 C CA 1.364 60.437 59.018 0.091 0.000 1.759 794 C CB -1.113 26.648 27.740 0.034 0.000 2.038 794 C HN 0.545 nan 8.230 nan 0.000 0.448 795 R N 0.601 121.166 120.500 0.107 0.000 2.115 795 R HA -0.150 4.189 4.340 -0.001 0.000 0.239 795 R C 2.424 178.781 176.300 0.095 0.000 1.133 795 R CA 2.100 58.252 56.100 0.087 0.000 0.935 795 R CB -1.303 29.028 30.300 0.052 0.000 0.853 795 R HN 0.688 nan 8.270 nan 0.000 0.433 796 G N 1.133 109.989 108.800 0.094 0.000 2.679 796 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.217 796 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.217 796 G C 1.255 176.219 174.900 0.106 0.000 1.267 796 G CA 1.019 46.167 45.100 0.080 0.000 0.799 796 G HN 0.389 nan 8.290 nan 0.000 0.606 797 F N 0.709 120.658 119.950 -0.002 0.000 2.176 797 F HA -0.166 4.360 4.527 -0.001 0.000 0.301 797 F C 2.306 178.110 175.800 0.007 0.000 1.071 797 F CA 1.514 59.515 58.000 0.001 0.000 1.289 797 F CB -0.215 38.786 39.000 0.003 0.000 1.028 797 F HN 0.088 nan 8.300 nan 0.000 0.494 798 L N -0.067 121.240 121.223 0.139 0.000 2.046 798 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 798 L C 2.469 179.264 176.870 -0.125 0.000 1.077 798 L CA 1.854 56.695 54.840 0.001 0.000 0.747 798 L CB -0.771 41.359 42.059 0.117 0.000 0.896 798 L HN 0.248 nan 8.230 nan 0.000 0.432 799 M N -1.883 117.678 119.600 -0.065 0.000 2.349 799 M HA -0.147 4.332 4.480 -0.001 0.000 0.266 799 M C 2.239 178.487 176.300 -0.087 0.000 1.076 799 M CA 0.889 56.156 55.300 -0.055 0.000 1.126 799 M CB -0.170 32.422 32.600 -0.014 0.000 1.392 799 M HN 0.146 nan 8.290 nan 0.000 0.440 800 R N -0.357 120.051 120.500 -0.154 0.000 2.200 800 R HA -0.107 4.232 4.340 -0.001 0.000 0.234 800 R C 1.678 177.867 176.300 -0.184 0.000 1.127 800 R CA 0.932 56.933 56.100 -0.165 0.000 0.989 800 R CB -0.011 30.182 30.300 -0.177 0.000 0.869 800 R HN 0.243 nan 8.270 nan 0.000 0.459 801 V N -0.242 119.502 119.914 -0.285 0.000 3.174 801 V HA -0.045 4.075 4.120 -0.001 0.000 0.254 801 V C 1.853 177.886 176.094 -0.102 0.000 1.120 801 V CA 0.876 63.035 62.300 -0.234 0.000 1.114 801 V CB 0.105 31.729 31.823 -0.332 0.000 0.756 801 V HN 0.128 nan 8.190 nan 0.000 0.467 802 E N -0.095 120.062 120.200 -0.073 0.000 2.072 802 E HA -0.170 4.179 4.350 -0.001 0.000 0.190 802 E C 1.963 178.573 176.600 0.016 0.000 0.982 802 E CA 1.157 57.540 56.400 -0.029 0.000 0.803 802 E CB -0.310 29.377 29.700 -0.021 0.000 0.755 802 E HN 0.688 nan 8.360 nan 0.000 0.453 803 Y N 1.277 121.525 120.300 -0.086 0.000 2.165 803 Y HA -0.208 4.342 4.550 -0.001 0.000 0.286 803 Y C 2.445 178.306 175.900 -0.065 0.000 1.155 803 Y CA 2.032 60.091 58.100 -0.068 0.000 1.164 803 Y CB -0.036 38.389 38.460 -0.059 0.000 0.978 803 Y HN -0.077 nan 8.280 nan 0.000 0.513 804 R N -0.321 120.241 120.500 0.103 0.000 2.200 804 R HA -0.144 4.196 4.340 -0.001 0.000 0.234 804 R C 2.123 178.400 176.300 -0.038 0.000 1.127 804 R CA 1.041 57.159 56.100 0.031 0.000 0.989 804 R CB -0.291 30.015 30.300 0.011 0.000 0.869 804 R HN 0.478 nan 8.270 nan 0.000 0.459 805 A N -0.184 122.601 122.820 -0.058 0.000 1.887 805 A HA -0.011 4.309 4.320 -0.001 0.000 0.210 805 A C 2.001 179.516 177.584 -0.114 0.000 1.221 805 A CA 0.524 52.518 52.037 -0.073 0.000 0.635 805 A CB -0.244 18.720 19.000 -0.060 0.000 0.881 805 A HN 0.188 nan 8.150 nan 0.000 0.456 806 M N -0.257 119.255 119.600 -0.146 0.000 2.108 806 M HA -0.203 4.277 4.480 -0.001 0.000 0.257 806 M C 2.069 178.220 176.300 -0.248 0.000 1.071 806 M CA 1.676 56.854 55.300 -0.204 0.000 1.093 806 M CB -0.630 31.816 32.600 -0.258 0.000 1.345 806 M HN 0.249 nan 8.290 nan 0.000 0.403 807 V N 0.037 119.782 119.914 -0.281 0.000 2.307 807 V HA -0.235 3.884 4.120 -0.001 0.000 0.245 807 V C 2.103 178.114 176.094 -0.139 0.000 1.045 807 V CA 1.914 64.064 62.300 -0.250 0.000 1.024 807 V CB -0.600 31.079 31.823 -0.239 0.000 0.651 807 V HN 0.453 nan 8.190 nan 0.000 0.449 808 E N -0.118 120.024 120.200 -0.097 0.000 2.033 808 E HA -0.280 4.070 4.350 -0.001 0.000 0.199 808 E C 2.453 179.006 176.600 -0.078 0.000 1.011 808 E CA 1.686 58.048 56.400 -0.064 0.000 0.815 808 E CB -0.223 29.447 29.700 -0.048 0.000 0.755 808 E HN 0.440 nan 8.360 nan 0.000 0.451 809 R N 0.410 120.849 120.500 -0.102 0.000 2.154 809 R HA -0.193 4.146 4.340 -0.001 0.000 0.248 809 R C 2.368 178.566 176.300 -0.170 0.000 1.155 809 R CA 0.990 57.017 56.100 -0.122 0.000 0.979 809 R CB -0.279 29.937 30.300 -0.141 0.000 0.869 809 R HN 0.129 nan 8.270 nan 0.000 0.452 810 R N 1.161 121.545 120.500 -0.194 0.000 2.227 810 R HA -0.283 4.056 4.340 -0.001 0.000 0.246 810 R C 2.103 178.204 176.300 -0.330 0.000 1.119 810 R CA 2.599 58.539 56.100 -0.267 0.000 0.930 810 R CB -0.353 29.851 30.300 -0.160 0.000 0.912 810 R HN 0.579 nan 8.270 nan 0.000 0.435 811 E N -1.264 118.880 120.200 -0.094 0.000 2.086 811 E HA -0.019 4.331 4.350 -0.001 0.000 0.190 811 E C 1.892 178.506 176.600 0.024 0.000 0.975 811 E CA 0.912 57.355 56.400 0.071 0.000 0.813 811 E CB -0.334 29.466 29.700 0.166 0.000 0.768 811 E HN 0.092 nan 8.360 nan 0.000 0.457 812 S N 1.031 116.715 115.700 -0.027 0.000 2.440 812 S HA -0.127 4.343 4.470 -0.001 0.000 0.240 812 S C 1.887 176.458 174.600 -0.049 0.000 1.014 812 S CA 1.098 59.285 58.200 -0.021 0.000 0.980 812 S CB -0.331 62.851 63.200 -0.030 0.000 0.775 812 S HN 0.287 nan 8.310 nan 0.000 0.499 813 I N -0.006 120.481 120.570 -0.137 0.000 2.141 813 I HA -0.147 4.022 4.170 -0.001 0.000 0.236 813 I C 1.904 177.949 176.117 -0.119 0.000 1.071 813 I CA 1.116 62.308 61.300 -0.180 0.000 1.345 813 I CB -0.578 37.230 38.000 -0.321 0.000 1.066 813 I HN 0.204 nan 8.210 nan 0.000 0.406 814 F N 1.146 121.001 119.950 -0.158 0.000 2.063 814 F HA -0.387 4.139 4.527 -0.001 0.000 0.297 814 F C 2.970 178.666 175.800 -0.172 0.000 1.099 814 F CA 1.704 59.540 58.000 -0.274 0.000 1.220 814 F CB -1.495 37.416 39.000 -0.149 0.000 0.972 814 F HN 0.300 nan 8.300 nan 0.000 0.487 815 C N 0.887 120.303 119.300 0.193 0.000 2.393 815 C HA -0.220 4.239 4.460 -0.001 0.000 0.276 815 C C 2.907 177.955 174.990 0.096 0.000 1.215 815 C CA 1.295 60.404 59.018 0.150 0.000 1.743 815 C CB -1.332 26.471 27.740 0.104 0.000 2.044 815 C HN 0.431 nan 8.230 nan 0.000 0.464 816 I N 0.083 120.677 120.570 0.040 0.000 2.202 816 I HA -0.206 3.964 4.170 -0.001 0.000 0.242 816 I C 2.715 178.842 176.117 0.016 0.000 1.091 816 I CA 1.710 63.020 61.300 0.016 0.000 1.368 816 I CB -1.340 36.649 38.000 -0.017 0.000 1.058 816 I HN 0.557 nan 8.210 nan 0.000 0.410 817 Q N 0.400 120.179 119.800 -0.034 0.000 1.935 817 Q HA -0.260 4.079 4.340 -0.001 0.000 0.212 817 Q C 2.355 178.360 176.000 0.008 0.000 1.008 817 Q CA 2.402 58.156 55.803 -0.082 0.000 0.868 817 Q CB -0.366 28.241 28.738 -0.219 0.000 0.946 817 Q HN 0.372 nan 8.270 nan 0.000 0.418 818 Y N 0.945 121.308 120.300 0.105 0.000 2.081 818 Y HA -0.287 4.263 4.550 -0.001 0.000 0.280 818 Y C 2.153 178.095 175.900 0.069 0.000 1.163 818 Y CA 1.099 59.241 58.100 0.070 0.000 1.135 818 Y CB -0.914 37.573 38.460 0.045 0.000 0.970 818 Y HN 0.271 nan 8.280 nan 0.000 0.498 819 N N 0.109 118.950 118.700 0.235 0.000 2.133 819 N HA -0.196 4.543 4.740 -0.001 0.000 0.193 819 N C 1.901 177.504 175.510 0.156 0.000 1.012 819 N CA 1.762 54.910 53.050 0.163 0.000 0.871 819 N CB -0.336 38.221 38.487 0.116 0.000 1.011 819 N HN 0.208 nan 8.380 nan 0.000 0.435 820 V N 1.267 121.265 119.914 0.139 0.000 2.283 820 V HA -0.141 3.979 4.120 -0.001 0.000 0.243 820 V C 2.420 178.647 176.094 0.223 0.000 1.039 820 V CA 1.232 63.623 62.300 0.152 0.000 1.016 820 V CB -0.355 31.529 31.823 0.102 0.000 0.650 820 V HN 0.268 nan 8.190 nan 0.000 0.449 821 R N -0.154 120.453 120.500 0.178 0.000 2.134 821 R HA -0.228 4.112 4.340 -0.001 0.000 0.248 821 R C 2.594 178.981 176.300 0.146 0.000 1.143 821 R CA 1.955 58.149 56.100 0.157 0.000 0.957 821 R CB -0.705 29.691 30.300 0.161 0.000 0.867 821 R HN 0.452 nan 8.270 nan 0.000 0.441 822 S N 0.471 116.267 115.700 0.160 0.000 2.427 822 S HA -0.248 4.221 4.470 -0.001 0.000 0.231 822 S C 1.545 176.238 174.600 0.156 0.000 1.045 822 S CA 1.830 60.109 58.200 0.132 0.000 1.154 822 S CB -0.541 62.758 63.200 0.165 0.000 1.093 822 S HN 0.382 nan 8.310 nan 0.000 0.422 823 F N 2.031 122.032 119.950 0.085 0.000 2.085 823 F HA -0.238 4.289 4.527 -0.001 0.000 0.299 823 F C 2.223 178.069 175.800 0.077 0.000 1.096 823 F CA 1.852 59.916 58.000 0.106 0.000 1.227 823 F CB -0.351 38.710 39.000 0.102 0.000 0.983 823 F HN 0.183 nan 8.300 nan 0.000 0.482 824 M N -0.160 119.430 119.600 -0.016 0.000 2.346 824 M HA -0.212 4.267 4.480 -0.001 0.000 0.263 824 M C 1.455 177.670 176.300 -0.141 0.000 1.064 824 M CA 1.511 56.731 55.300 -0.133 0.000 1.083 824 M CB -1.100 31.530 32.600 0.050 0.000 1.399 824 M HN 0.288 nan 8.290 nan 0.000 0.435 825 N N -0.474 118.176 118.700 -0.082 0.000 2.368 825 N HA 0.045 4.785 4.740 -0.001 0.000 0.178 825 N C 0.653 176.133 175.510 -0.049 0.000 1.021 825 N CA 0.243 53.263 53.050 -0.049 0.000 0.875 825 N CB 0.352 38.809 38.487 -0.051 0.000 1.020 825 N HN -0.006 nan 8.380 nan 0.000 0.433 829 W N 5.991 127.350 121.300 0.098 0.000 2.388 829 W HA 0.297 4.957 4.660 -0.001 0.000 0.308 829 W C -1.528 175.026 176.519 0.059 0.000 1.263 829 W CA -2.303 55.092 57.345 0.084 0.000 1.286 829 W CB 0.604 30.111 29.460 0.079 0.000 1.294 829 W HN -0.032 nan 8.180 nan 0.000 0.493 830 P HA -0.318 nan 4.420 nan 0.000 0.221 830 P C 1.184 178.141 177.300 -0.571 0.000 1.160 830 P CA 2.700 65.550 63.100 -0.418 0.000 0.933 830 P CB -0.236 31.116 31.700 -0.581 0.000 0.793 831 W N -1.363 119.415 121.300 -0.870 0.000 2.342 831 W HA -0.058 4.602 4.660 -0.001 0.000 0.297 831 W C 1.909 178.095 176.519 -0.555 0.000 1.213 831 W CA 0.085 56.901 57.345 -0.881 0.000 1.251 831 W CB -0.932 27.518 29.460 -1.684 0.000 1.136 831 W HN -0.003 nan 8.180 nan 0.000 0.526 835 F N 1.619 121.516 119.950 -0.088 0.000 2.147 835 F HA -0.104 4.422 4.527 -0.001 0.000 0.301 835 F C 1.076 176.930 175.800 0.091 0.000 1.084 835 F CA 1.091 59.064 58.000 -0.045 0.000 1.268 835 F CB -0.147 38.743 39.000 -0.182 0.000 1.009 835 F HN -0.053 nan 8.300 nan 0.000 0.486 841 L N 0.120 121.330 121.223 -0.023 0.000 2.450 841 L HA -0.078 4.261 4.340 -0.001 0.000 0.225 841 L C 0.928 177.796 176.870 -0.005 0.000 1.145 841 L CA 1.260 56.094 54.840 -0.010 0.000 0.801 841 L CB -0.950 41.107 42.059 -0.003 0.000 0.924 841 L HN 0.125 nan 8.230 nan 0.000 0.447 842 L N -0.839 120.378 121.223 -0.010 0.000 2.479 842 L HA 0.285 4.625 4.340 -0.001 0.000 0.248 842 L C 0.563 177.434 176.870 0.002 0.000 1.205 842 L CA 0.081 54.922 54.840 0.001 0.000 0.817 842 L CB 0.317 42.377 42.059 0.000 0.000 1.162 842 L HN 0.235 nan 8.230 nan 0.000 0.486 843 K N 0.000 120.407 120.400 0.011 0.000 2.780 843 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 843 K CA 0.000 56.294 56.287 0.011 0.000 0.838 843 K CB 0.000 32.506 32.500 0.010 0.000 1.064 843 K HN 0.000 nan 8.250 nan 0.000 0.543