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 1mvw_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 0.000 176.317 176.300 0.028 0.000 2.045 4 D CA 0.000 54.007 54.000 0.012 0.000 0.868 4 D CB 0.000 40.800 40.800 0.000 0.000 0.688 5 A N 1.343 124.179 122.820 0.025 0.000 1.865 5 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 5 A C 1.867 179.478 177.584 0.045 0.000 1.191 5 A CA 2.140 54.195 52.037 0.031 0.000 0.623 5 A CB -0.658 18.359 19.000 0.028 0.000 0.826 5 A HN 0.298 nan 8.150 nan 0.000 0.444 6 E N -0.224 120.009 120.200 0.055 0.000 2.021 6 E HA -0.151 4.199 4.350 -0.001 0.000 0.200 6 E C 0.348 177.020 176.600 0.120 0.000 1.015 6 E CA 0.911 57.358 56.400 0.079 0.000 0.824 6 E CB -0.326 29.425 29.700 0.084 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 0.043 4.522 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 0.459 55.914 55.300 0.258 0.000 1.065 7 M CB 0.680 33.379 32.600 0.165 0.000 2.025 7 M HN 0.223 nan 8.290 nan 0.000 0.461 8 A N 3.037 125.958 122.820 0.169 0.000 1.429 8 A HA 0.396 4.716 4.320 -0.001 0.000 0.212 8 A C 1.784 179.371 177.584 0.005 0.000 1.863 8 A CA 0.538 52.616 52.037 0.069 0.000 1.494 8 A CB -0.927 18.087 19.000 0.023 0.000 1.413 8 A HN 0.727 nan 8.150 nan 0.000 0.338 9 A N 0.251 122.983 122.820 -0.147 0.000 1.896 9 A HA -0.087 4.232 4.320 -0.001 0.000 0.220 9 A C 1.901 179.280 177.584 -0.342 0.000 1.206 9 A CA 2.318 54.132 52.037 -0.372 0.000 0.647 9 A CB -1.045 17.520 19.000 -0.725 0.000 0.828 9 A HN 0.725 nan 8.150 nan 0.000 0.455 10 F N -1.143 118.799 119.950 -0.013 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 0.811 58.824 58.000 0.022 0.000 1.221 10 F CB -1.229 37.783 39.000 0.020 0.000 1.014 10 F HN 0.474 nan 8.300 nan 0.000 0.473 11 G N 0.473 109.452 108.800 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 1.271 176.259 174.900 0.147 0.000 1.323 11 G CA 1.287 46.487 45.100 0.166 0.000 1.103 11 G HN 0.335 nan 8.290 nan 0.000 0.716 12 E N 1.052 121.343 120.200 0.150 0.000 2.160 12 E HA 0.203 4.553 4.350 -0.001 0.000 0.195 12 E C 2.856 179.578 176.600 0.203 0.000 0.991 12 E CA 1.963 58.457 56.400 0.157 0.000 0.810 12 E CB -0.381 29.419 29.700 0.166 0.000 0.742 12 E HN 0.759 nan 8.360 nan 0.000 0.466 13 A N 0.289 123.260 122.820 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 0.178 0.000 1.163 13 A CA 1.033 53.255 52.037 0.308 0.000 0.676 13 A CB -0.536 18.666 19.000 0.336 0.000 0.818 13 A HN 0.294 nan 8.150 nan 0.000 0.453 14 A N 1.259 124.134 122.820 0.092 0.000 1.916 14 A HA -0.241 4.079 4.320 -0.001 0.000 0.224 14 A C 0.254 177.753 177.584 -0.142 0.000 1.366 14 A CA 2.472 54.467 52.037 -0.069 0.000 0.692 14 A CB -2.074 16.922 19.000 -0.008 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 0.528 177.590 177.300 -0.396 0.000 1.144 15 P CA 1.379 64.254 63.100 -0.374 0.000 0.800 15 P CB -0.255 31.119 31.700 -0.543 0.000 0.772 16 Y N -2.424 117.876 120.300 0.001 0.000 2.462 16 Y HA 0.144 4.694 4.550 -0.001 0.000 0.261 16 Y C 1.952 177.834 175.900 -0.029 0.000 1.146 16 Y CA 0.032 58.135 58.100 0.006 0.000 1.283 16 Y CB -0.321 38.136 38.460 -0.005 0.000 1.090 16 Y HN -0.166 nan 8.280 nan 0.000 0.526 17 L N -1.091 120.147 121.223 0.025 0.000 2.435 17 L HA 0.297 4.637 4.340 -0.001 0.000 0.195 17 L C 0.921 177.740 176.870 -0.084 0.000 1.072 17 L CA 0.806 55.612 54.840 -0.056 0.000 0.833 17 L CB -0.204 41.713 42.059 -0.237 0.000 1.081 17 L HN -0.086 nan 8.230 nan 0.000 0.485 21 E N 1.037 121.215 120.200 -0.036 0.000 2.516 21 E HA -0.134 4.216 4.350 -0.001 0.000 0.206 21 E C 1.173 177.749 176.600 -0.040 0.000 1.107 21 E CA 1.521 57.898 56.400 -0.040 0.000 0.903 21 E CB -0.175 29.504 29.700 -0.035 0.000 0.838 21 E HN 0.628 nan 8.360 nan 0.000 0.574 22 K N -2.192 118.187 120.400 -0.036 0.000 2.474 22 K HA 0.171 4.490 4.320 -0.001 0.000 0.204 22 K C 1.559 178.139 176.600 -0.034 0.000 1.220 22 K CA -0.132 56.135 56.287 -0.034 0.000 0.966 22 K CB 0.109 32.593 32.500 -0.028 0.000 1.049 22 K HN -0.110 nan 8.250 nan 0.000 0.554 23 E N 1.359 121.540 120.200 -0.032 0.000 2.153 23 E HA -0.070 4.280 4.350 -0.001 0.000 0.194 23 E C 1.827 178.406 176.600 -0.035 0.000 0.988 23 E CA 1.122 57.504 56.400 -0.030 0.000 0.811 23 E CB 0.138 29.820 29.700 -0.030 0.000 0.746 23 E HN 0.242 nan 8.360 nan 0.000 0.466 24 R N 0.239 120.713 120.500 -0.043 0.000 2.070 24 R HA -0.068 4.271 4.340 -0.001 0.000 0.227 24 R C 2.467 178.731 176.300 -0.059 0.000 1.147 24 R CA 1.258 57.327 56.100 -0.052 0.000 0.924 24 R CB -0.458 29.806 30.300 -0.060 0.000 0.827 24 R HN 0.192 nan 8.270 nan 0.000 0.431 25 I N 1.383 121.917 120.570 -0.060 0.000 2.185 25 I HA -0.307 3.863 4.170 -0.001 0.000 0.246 25 I C 1.843 177.928 176.117 -0.052 0.000 1.088 25 I CA 1.634 62.897 61.300 -0.062 0.000 1.347 25 I CB -0.507 37.460 38.000 -0.055 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.395 120.570 120.200 -0.041 0.000 2.418 26 E HA -0.087 4.263 4.350 -0.001 0.000 0.197 26 E C 2.047 178.627 176.600 -0.032 0.000 1.026 26 E CA 0.876 57.257 56.400 -0.032 0.000 0.862 26 E CB 0.058 29.744 29.700 -0.024 0.000 0.799 26 E HN 0.540 nan 8.360 nan 0.000 0.518 27 A N 0.707 123.503 122.820 -0.041 0.000 1.973 27 A HA -0.040 4.280 4.320 -0.001 0.000 0.210 27 A C 1.946 179.491 177.584 -0.065 0.000 1.200 27 A CA 0.182 52.194 52.037 -0.042 0.000 0.707 27 A CB 0.099 19.076 19.000 -0.037 0.000 0.862 27 A HN 0.054 nan 8.150 nan 0.000 0.461 28 Q N 0.326 120.075 119.800 -0.086 0.000 2.187 28 Q HA 0.032 4.372 4.340 -0.001 0.000 0.199 28 Q C 0.080 176.012 176.000 -0.113 0.000 0.957 28 Q CA 0.485 56.213 55.803 -0.125 0.000 0.857 28 Q CB -0.037 28.611 28.738 -0.148 0.000 0.929 28 Q HN 0.562 nan 8.270 nan 0.000 0.453 32 F N 1.146 121.072 119.950 -0.041 0.000 2.574 32 F HA 0.382 4.909 4.527 -0.001 0.000 0.313 32 F C -1.045 174.729 175.800 -0.042 0.000 1.130 32 F CA -0.520 57.452 58.000 -0.046 0.000 0.936 32 F CB 2.183 41.155 39.000 -0.047 0.000 1.219 32 F HN 0.179 nan 8.300 nan 0.000 0.445 33 D N 5.063 125.048 120.400 -0.692 0.000 2.458 33 D HA 0.471 5.110 4.640 -0.001 0.000 0.258 33 D C 0.172 176.122 176.300 -0.584 0.000 1.134 33 D CA 0.143 53.868 54.000 -0.458 0.000 0.915 33 D CB 1.337 41.961 40.800 -0.294 0.000 1.028 33 D HN 0.758 nan 8.370 nan 0.000 0.508 37 S N 2.015 117.536 115.700 -0.299 0.000 2.533 37 S HA 0.698 5.167 4.470 -0.001 0.000 0.282 37 S C -0.195 174.262 174.600 -0.237 0.000 1.304 37 S CA -0.330 57.672 58.200 -0.330 0.000 1.063 37 S CB 1.453 64.322 63.200 -0.552 0.000 0.881 37 S HN 0.621 nan 8.310 nan 0.000 0.493 38 V N 1.962 121.728 119.914 -0.246 0.000 3.258 38 V HA 0.512 4.632 4.120 -0.001 0.000 0.299 38 V C -1.458 174.445 176.094 -0.317 0.000 1.376 38 V CA -0.915 61.255 62.300 -0.216 0.000 1.063 38 V CB 2.071 33.844 31.823 -0.082 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.186 121.121 119.950 -0.024 0.000 2.425 39 F HA 0.856 5.383 4.527 -0.001 0.000 0.331 39 F C 0.143 176.049 175.800 0.178 0.000 1.085 39 F CA -0.545 57.440 58.000 -0.026 0.000 1.028 39 F CB 1.885 40.768 39.000 -0.195 0.000 1.177 39 F HN 0.231 nan 8.300 nan 0.000 0.487 40 V N 2.439 122.668 119.914 0.525 0.000 3.178 40 V HA 0.489 4.609 4.120 -0.001 0.000 0.302 40 V C -0.967 175.493 176.094 0.609 0.000 1.262 40 V CA -0.923 61.682 62.300 0.507 0.000 1.030 40 V CB 2.580 34.560 31.823 0.262 0.000 1.074 40 V HN 0.485 nan 8.190 nan 0.000 0.438 41 V N 3.801 123.999 119.914 0.474 0.000 3.139 41 V HA 0.343 4.463 4.120 -0.001 0.000 0.307 41 V C -0.333 175.886 176.094 0.207 0.000 1.095 41 V CA 0.383 62.818 62.300 0.226 0.000 1.160 41 V CB 1.019 32.938 31.823 0.160 0.000 1.003 41 V HN 0.998 nan 8.190 nan 0.000 0.489 42 H N 5.166 124.211 119.070 -0.042 0.000 3.188 42 H HA 0.302 4.858 4.556 -0.001 0.000 0.325 42 H C -2.400 172.914 175.328 -0.023 0.000 1.033 42 H CA -1.591 54.462 56.048 0.009 0.000 1.443 42 H CB 2.194 32.002 29.762 0.075 0.000 1.968 42 H HN 0.303 nan 8.280 nan 0.000 0.449 43 P HA -0.182 nan 4.420 nan 0.000 0.217 43 P C 1.026 178.462 177.300 0.226 0.000 1.158 43 P CA 1.613 64.811 63.100 0.163 0.000 0.887 43 P CB 0.766 32.492 31.700 0.042 0.000 0.792 44 K N -1.153 119.496 120.400 0.416 0.000 2.056 44 K HA 0.053 4.373 4.320 -0.001 0.000 0.205 44 K C 1.239 177.814 176.600 -0.042 0.000 1.035 44 K CA 0.744 57.125 56.287 0.157 0.000 0.955 44 K CB -0.242 32.362 32.500 0.173 0.000 0.769 44 K HN 0.096 nan 8.250 nan 0.000 0.447 45 Q N 0.118 119.681 119.800 -0.395 0.000 2.261 45 Q HA 0.151 4.491 4.340 -0.001 0.000 0.252 45 Q C 0.662 176.573 176.000 -0.149 0.000 0.915 45 Q CA -0.216 55.393 55.803 -0.324 0.000 0.915 45 Q CB 1.800 30.297 28.738 -0.401 0.000 1.204 45 Q HN 0.146 nan 8.270 nan 0.000 0.421 46 S N 1.981 117.694 115.700 0.021 0.000 2.389 46 S HA -0.144 4.326 4.470 -0.001 0.000 0.229 46 S C -0.170 174.267 174.600 -0.271 0.000 1.048 46 S CA 1.514 59.659 58.200 -0.092 0.000 1.117 46 S CB 0.059 63.243 63.200 -0.027 0.000 1.020 46 S HN 0.469 nan 8.310 nan 0.000 0.430 47 F N -1.019 119.029 119.950 0.164 0.000 2.607 47 F HA 0.577 5.104 4.527 -0.001 0.000 0.322 47 F C -0.180 175.833 175.800 0.354 0.000 1.176 47 F CA -0.699 57.431 58.000 0.216 0.000 0.977 47 F CB 1.495 40.557 39.000 0.103 0.000 1.242 47 F HN -0.077 nan 8.300 nan 0.000 0.465 51 T N 1.332 115.840 114.554 -0.076 0.000 2.797 51 T HA 0.507 4.857 4.350 -0.001 0.000 0.279 51 T C 0.190 174.850 174.700 -0.068 0.000 0.991 51 T CA -0.430 61.614 62.100 -0.094 0.000 0.979 51 T CB 1.210 70.023 68.868 -0.092 0.000 0.943 51 T HN 0.416 nan 8.240 nan 0.000 0.444 52 I N 3.849 124.375 120.570 -0.075 0.000 2.533 52 I HA 0.119 4.288 4.170 -0.001 0.000 0.284 52 I C 1.358 177.445 176.117 -0.049 0.000 1.109 52 I CA 0.056 61.324 61.300 -0.054 0.000 1.412 52 I CB 0.430 38.397 38.000 -0.054 0.000 1.396 52 I HN 0.686 nan 8.210 nan 0.000 0.543 53 Q N 4.040 123.818 119.800 -0.037 0.000 2.240 53 Q HA 0.125 4.465 4.340 -0.001 0.000 0.194 53 Q C 0.583 176.566 176.000 -0.029 0.000 0.982 53 Q CA 0.806 56.589 55.803 -0.033 0.000 0.842 53 Q CB 0.091 28.814 28.738 -0.026 0.000 0.941 53 Q HN 0.814 nan 8.270 nan 0.000 0.516 57 G N 0.605 109.398 108.800 -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 0.517 175.411 174.900 -0.010 0.000 0.985 57 G CA 0.500 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 2.262 116.805 114.554 -0.018 0.000 2.771 61 T HA 0.879 5.229 4.350 -0.001 0.000 0.281 61 T C -0.388 174.302 174.700 -0.017 0.000 0.982 61 T CA -0.684 61.406 62.100 -0.017 0.000 0.978 61 T CB 1.867 70.725 68.868 -0.017 0.000 0.930 61 T HN 0.530 nan 8.240 nan 0.000 0.447 65 E N 0.573 120.807 120.200 0.058 0.000 2.267 65 E HA 0.496 4.846 4.350 -0.001 0.000 0.241 65 E C 0.490 177.133 176.600 0.071 0.000 0.950 65 E CA 0.038 56.468 56.400 0.050 0.000 0.776 65 E CB 0.348 30.076 29.700 0.046 0.000 1.207 65 E HN 0.945 nan 8.360 nan 0.000 0.436 66 G N 1.828 110.661 108.800 0.056 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 0.423 175.351 174.900 0.046 0.000 0.993 66 G CA -0.169 44.965 45.100 0.056 0.000 0.836 66 G HN 0.802 nan 8.290 nan 0.000 0.514 67 G N -0.179 108.649 108.800 0.045 0.000 3.055 67 G HA2 0.438 4.397 3.960 -0.001 0.000 0.654 67 G HA3 0.438 4.397 3.960 -0.001 0.000 0.654 67 G C -0.703 174.219 174.900 0.036 0.000 1.134 67 G CA 0.825 45.944 45.100 0.032 0.000 1.049 67 G HN 1.306 nan 8.290 nan 0.000 0.458 68 E N 0.300 120.519 120.200 0.032 0.000 2.388 68 E HA 0.735 5.084 4.350 -0.001 0.000 0.281 68 E C -0.388 176.218 176.600 0.009 0.000 1.046 68 E CA -0.374 56.040 56.400 0.024 0.000 0.825 68 E CB 1.525 31.250 29.700 0.042 0.000 1.243 68 E HN 0.753 nan 8.360 nan 0.000 0.438 69 T N 1.505 116.055 114.554 -0.008 0.000 2.841 69 T HA 0.711 5.060 4.350 -0.001 0.000 0.285 69 T C -0.842 173.841 174.700 -0.028 0.000 0.991 69 T CA -0.660 61.432 62.100 -0.013 0.000 0.966 69 T CB 0.886 69.747 68.868 -0.011 0.000 0.962 69 T HN 0.300 nan 8.240 nan 0.000 0.438 70 L N 2.162 123.368 121.223 -0.029 0.000 2.422 70 L HA 0.626 4.965 4.340 -0.001 0.000 0.264 70 L C -0.316 176.539 176.870 -0.025 0.000 0.984 70 L CA -0.475 54.341 54.840 -0.040 0.000 0.819 70 L CB 2.787 44.808 42.059 -0.063 0.000 1.330 70 L HN 0.775 nan 8.230 nan 0.000 0.410 71 T N 2.418 116.957 114.554 -0.025 0.000 2.853 71 T HA 0.560 4.910 4.350 -0.001 0.000 0.317 71 T C -0.527 174.163 174.700 -0.017 0.000 1.059 71 T CA -0.320 61.769 62.100 -0.019 0.000 0.954 71 T CB 1.035 69.893 68.868 -0.017 0.000 0.994 71 T HN 0.193 nan 8.240 nan 0.000 0.479 72 V N 3.360 123.266 119.914 -0.013 0.000 2.864 72 V HA 0.446 4.566 4.120 -0.001 0.000 0.314 72 V C 0.438 176.523 176.094 -0.016 0.000 1.073 72 V CA -1.160 61.135 62.300 -0.009 0.000 0.956 72 V CB 2.322 34.147 31.823 0.004 0.000 1.023 72 V HN 0.736 nan 8.190 nan 0.000 0.435 73 K N 1.497 121.888 120.400 -0.016 0.000 2.414 73 K HA -0.132 4.187 4.320 -0.001 0.000 0.266 73 K C 1.235 177.807 176.600 -0.047 0.000 0.976 73 K CA 1.183 57.456 56.287 -0.024 0.000 0.884 73 K CB 0.112 32.602 32.500 -0.017 0.000 0.959 73 K HN 0.779 nan 8.250 nan 0.000 0.531 74 E N 0.283 120.454 120.200 -0.048 0.000 2.107 74 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 74 E C 0.106 176.633 176.600 -0.123 0.000 0.982 74 E CA 1.300 57.660 56.400 -0.066 0.000 0.809 74 E CB 0.173 29.846 29.700 -0.044 0.000 0.756 74 E HN 0.499 nan 8.360 nan 0.000 0.459 75 D N -0.643 119.687 120.400 -0.117 0.000 2.706 75 D HA 0.067 4.706 4.640 -0.001 0.000 0.236 75 D C 0.434 176.568 176.300 -0.276 0.000 1.231 75 D CA 0.007 53.888 54.000 -0.199 0.000 0.828 75 D CB 0.350 41.076 40.800 -0.123 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 -0.261 0.000 2.189 76 Q HA 0.268 4.608 4.340 -0.001 0.000 0.223 76 Q C -0.784 175.089 176.000 -0.212 0.000 0.828 76 Q CA 0.022 55.752 55.803 -0.122 0.000 0.967 76 Q CB 1.315 30.058 28.738 0.007 0.000 1.139 76 Q HN 0.048 nan 8.270 nan 0.000 0.497 77 V N 1.546 121.170 119.914 -0.484 0.000 2.417 77 V HA 0.501 4.621 4.120 -0.001 0.000 0.291 77 V C -1.135 174.602 176.094 -0.595 0.000 1.024 77 V CA -0.483 61.614 62.300 -0.339 0.000 0.861 77 V CB 1.090 32.824 31.823 -0.149 0.000 0.985 77 V HN 0.101 nan 8.190 nan 0.000 0.436 78 F N 1.819 121.841 119.950 0.121 0.000 2.547 78 F HA 0.508 5.035 4.527 -0.001 0.000 0.316 78 F C 0.739 176.628 175.800 0.148 0.000 1.121 78 F CA -0.587 57.503 58.000 0.149 0.000 0.911 78 F CB 1.843 40.767 39.000 -0.126 0.000 1.179 78 F HN 0.352 nan 8.300 nan 0.000 0.443 79 S N 2.491 118.482 115.700 0.484 0.000 2.589 79 S HA 0.263 4.732 4.470 -0.001 0.000 0.256 79 S C -0.316 174.392 174.600 0.180 0.000 1.383 79 S CA -0.139 58.218 58.200 0.263 0.000 0.983 79 S CB 0.337 63.682 63.200 0.242 0.000 0.908 79 S HN 0.694 nan 8.310 nan 0.000 0.572 80 M N 2.131 121.689 119.600 -0.071 0.000 2.267 80 M HA 0.316 4.796 4.480 -0.001 0.000 0.289 80 M C -1.072 175.185 176.300 -0.072 0.000 1.043 80 M CA -0.556 54.684 55.300 -0.101 0.000 0.928 80 M CB 1.052 33.468 32.600 -0.307 0.000 1.613 80 M HN 0.508 nan 8.290 nan 0.000 0.450 81 N N 5.718 124.383 118.700 -0.057 0.000 2.454 81 N HA 0.211 4.950 4.740 -0.001 0.000 0.254 81 N C -2.501 172.821 175.510 -0.314 0.000 1.228 81 N CA -0.517 52.494 53.050 -0.065 0.000 0.900 81 N CB 0.305 38.850 38.487 0.098 0.000 1.089 81 N HN 0.461 nan 8.380 nan 0.000 0.449 82 P HA 0.112 nan 4.420 nan 0.000 0.269 82 P C -2.352 174.564 177.300 -0.639 0.000 1.217 82 P CA -0.705 61.891 63.100 -0.839 0.000 0.783 82 P CB -0.467 31.023 31.700 -0.349 0.000 0.898 89 E N 2.051 122.321 120.200 0.117 0.000 2.118 89 E HA -0.182 4.167 4.350 -0.001 0.000 0.195 89 E C 0.170 176.909 176.600 0.232 0.000 0.992 89 E CA 1.244 57.734 56.400 0.150 0.000 0.804 89 E CB 0.303 30.114 29.700 0.185 0.000 0.741 89 E HN 0.381 nan 8.360 nan 0.000 0.458 90 D N -0.789 119.736 120.400 0.208 0.000 2.420 90 D HA 0.125 4.764 4.640 -0.001 0.000 0.255 90 D C 0.643 177.004 176.300 0.101 0.000 1.185 90 D CA -0.170 53.945 54.000 0.192 0.000 0.904 90 D CB 0.678 41.561 40.800 0.138 0.000 1.102 90 D HN -0.041 nan 8.370 nan 0.000 0.534 91 M N 1.487 121.140 119.600 0.088 0.000 2.337 91 M HA -0.143 4.337 4.480 -0.001 0.000 0.261 91 M C 1.739 178.031 176.300 -0.013 0.000 1.067 91 M CA 1.182 56.502 55.300 0.033 0.000 1.074 91 M CB -0.118 32.501 32.600 0.031 0.000 1.395 91 M HN 0.360 nan 8.290 nan 0.000 0.431 92 A N -0.495 122.322 122.820 -0.005 0.000 2.255 92 A HA 0.090 4.409 4.320 -0.001 0.000 0.206 92 A C 1.889 179.424 177.584 -0.081 0.000 1.193 92 A CA 0.649 52.656 52.037 -0.052 0.000 0.794 92 A CB -0.587 18.377 19.000 -0.060 0.000 0.794 92 A HN 0.527 nan 8.150 nan 0.000 0.481 93 M N -1.423 118.139 119.600 -0.064 0.000 2.367 93 M HA 0.285 4.764 4.480 -0.001 0.000 0.256 93 M C 0.310 176.506 176.300 -0.173 0.000 1.091 93 M CA 0.000 55.265 55.300 -0.058 0.000 1.049 93 M CB 0.079 32.697 32.600 0.030 0.000 1.406 93 M HN 0.371 nan 8.290 nan 0.000 0.498 94 M N -0.310 119.124 119.600 -0.276 0.000 2.252 94 M HA -0.095 4.385 4.480 -0.001 0.000 0.321 94 M C 1.279 177.299 176.300 -0.466 0.000 1.070 94 M CA 0.788 55.734 55.300 -0.591 0.000 1.143 94 M CB 0.391 32.789 32.600 -0.337 0.000 1.498 94 M HN -0.088 nan 8.290 nan 0.000 0.445 95 T N -0.037 114.184 114.554 -0.554 0.000 3.122 95 T HA 0.134 4.483 4.350 -0.001 0.000 0.250 95 T C -0.665 173.863 174.700 -0.286 0.000 1.067 95 T CA 0.276 62.213 62.100 -0.272 0.000 0.966 95 T CB -0.280 68.527 68.868 -0.101 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.870 119.769 119.070 -0.285 0.000 2.854 96 H HA 0.396 4.952 4.556 -0.001 0.000 0.275 96 H C -1.229 173.900 175.328 -0.332 0.000 1.198 96 H CA -0.698 55.176 56.048 -0.290 0.000 1.489 96 H CB 0.566 30.229 29.762 -0.164 0.000 1.519 96 H HN 0.051 nan 8.280 nan 0.000 0.503 97 L N 4.047 125.104 121.223 -0.275 0.000 2.358 97 L HA 0.251 4.591 4.340 -0.001 0.000 0.274 97 L C 0.106 176.838 176.870 -0.230 0.000 1.136 97 L CA 0.093 54.812 54.840 -0.203 0.000 0.970 97 L CB -1.300 40.662 42.059 -0.162 0.000 1.314 97 L HN 0.717 nan 8.230 nan 0.000 0.427 98 H N -0.722 118.291 119.070 -0.096 0.000 2.896 98 H HA 0.318 4.874 4.556 -0.001 0.000 0.318 98 H C 0.557 175.700 175.328 -0.309 0.000 1.409 98 H CA -0.655 55.275 56.048 -0.196 0.000 1.328 98 H CB 1.817 31.387 29.762 -0.321 0.000 1.940 98 H HN 0.389 nan 8.280 nan 0.000 0.665 99 E N 0.225 120.248 120.200 -0.297 0.000 2.042 99 E HA -0.023 4.326 4.350 -0.001 0.000 0.189 99 E C -1.033 175.184 176.600 -0.638 0.000 0.974 99 E CA 0.264 56.413 56.400 -0.419 0.000 0.806 99 E CB -0.553 28.912 29.700 -0.391 0.000 0.769 99 E HN 0.415 nan 8.360 nan 0.000 0.451 100 P HA -0.133 nan 4.420 nan 0.000 0.215 100 P C 0.997 177.737 177.300 -0.934 0.000 1.157 100 P CA 1.857 64.174 63.100 -1.305 0.000 0.863 100 P CB -0.109 30.456 31.700 -1.892 0.000 0.787 101 A N -0.627 121.745 122.820 -0.746 0.000 2.032 101 A HA -0.155 4.165 4.320 -0.001 0.000 0.221 101 A C 2.319 179.817 177.584 -0.143 0.000 1.165 101 A CA 1.755 53.628 52.037 -0.275 0.000 0.645 101 A CB -1.686 17.437 19.000 0.205 0.000 0.807 101 A HN 0.090 nan 8.150 nan 0.000 0.453 102 V N -0.559 119.243 119.914 -0.187 0.000 2.446 102 V HA -0.134 3.985 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 1.556 63.779 62.300 -0.129 0.000 1.045 102 V CB -0.493 31.259 31.823 -0.118 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.084 120.992 121.223 -0.246 0.000 1.994 103 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 103 L C 2.283 178.964 176.870 -0.316 0.000 1.071 103 L CA 2.227 56.882 54.840 -0.308 0.000 0.745 103 L CB -1.150 40.665 42.059 -0.407 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.044 120.160 120.300 -0.306 0.000 2.256 104 Y HA -0.249 4.301 4.550 -0.001 0.000 0.288 104 Y C 2.664 178.527 175.900 -0.061 0.000 1.155 104 Y CA 2.021 60.015 58.100 -0.177 0.000 1.203 104 Y CB -0.627 37.725 38.460 -0.180 0.000 0.980 104 Y HN 0.475 nan 8.280 nan 0.000 0.530 105 N N -0.440 118.293 118.700 0.056 0.000 2.216 105 N HA -0.093 4.647 4.740 -0.001 0.000 0.183 105 N C 0.481 176.002 175.510 0.019 0.000 1.017 105 N CA 0.238 53.322 53.050 0.056 0.000 0.861 105 N CB -0.149 38.367 38.487 0.048 0.000 0.986 105 N HN -0.023 nan 8.380 nan 0.000 0.428 109 R N 0.497 121.018 120.500 0.035 0.000 2.319 109 R HA 0.112 4.452 4.340 -0.001 0.000 0.204 109 R C 1.512 177.837 176.300 0.042 0.000 0.954 109 R CA 0.717 56.833 56.100 0.026 0.000 1.066 109 R CB -0.132 30.186 30.300 0.030 0.000 0.991 109 R HN 0.151 nan 8.270 nan 0.000 0.486 110 Y N 0.912 121.132 120.300 -0.134 0.000 2.464 110 Y HA 0.371 4.921 4.550 -0.001 0.000 0.288 110 Y C 2.270 177.940 175.900 -0.382 0.000 1.133 110 Y CA 0.186 58.173 58.100 -0.189 0.000 1.223 110 Y CB -0.118 38.248 38.460 -0.157 0.000 1.187 110 Y HN 0.057 nan 8.280 nan 0.000 0.539 111 A N 0.254 122.833 122.820 -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 -3.319 119.248 122.820 -0.422 0.000 2.430 112 A HA 0.418 4.737 4.320 -0.001 0.000 0.243 112 A C 0.356 177.953 177.584 0.022 0.000 1.254 112 A CA -0.186 51.738 52.037 -0.187 0.000 0.914 112 A CB -0.427 18.535 19.000 -0.065 0.000 0.998 112 A HN 0.712 nan 8.150 nan 0.000 0.515 113 W N -1.480 119.782 121.300 -0.064 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 0.059 0.000 1.371 113 W CA 0.770 58.105 57.345 -0.016 0.000 0.781 113 W CB -2.345 27.182 29.460 0.110 0.000 2.488 113 W HN 0.403 nan 8.180 nan 0.000 1.350 114 M N 0.894 120.583 119.600 0.147 0.000 2.066 114 M HA 0.275 4.754 4.480 -0.001 0.000 0.340 114 M C 1.522 177.840 176.300 0.029 0.000 1.053 114 M CA -0.182 55.173 55.300 0.093 0.000 0.983 114 M CB 0.661 33.296 32.600 0.059 0.000 1.520 114 M HN 0.102 nan 8.290 nan 0.000 0.428 115 I N -0.761 119.726 120.570 -0.139 0.000 3.226 115 I HA 0.111 4.281 4.170 -0.001 0.000 0.277 115 I C -0.518 175.285 176.117 -0.523 0.000 1.243 115 I CA 0.534 61.632 61.300 -0.337 0.000 1.459 115 I CB 0.126 37.817 38.000 -0.514 0.000 1.093 115 I HN 0.387 nan 8.210 nan 0.000 0.453 116 Y N 2.136 122.407 120.300 -0.047 0.000 2.402 116 Y HA 0.548 5.097 4.550 -0.001 0.000 0.332 116 Y C 0.319 176.113 175.900 -0.176 0.000 0.960 116 Y CA -1.175 56.851 58.100 -0.124 0.000 1.228 116 Y CB 1.233 39.593 38.460 -0.168 0.000 1.120 116 Y HN -0.050 nan 8.280 nan 0.000 0.491 117 T N 3.184 117.736 114.554 -0.004 0.000 2.861 117 T HA 0.589 4.938 4.350 -0.001 0.000 0.287 117 T C -1.117 173.564 174.700 -0.032 0.000 1.003 117 T CA -0.552 61.516 62.100 -0.053 0.000 0.977 117 T CB 0.420 69.287 68.868 -0.002 0.000 0.996 117 T HN 0.297 nan 8.240 nan 0.000 0.448 118 Y N 2.217 122.587 120.300 0.118 0.000 2.307 118 Y HA 0.557 5.107 4.550 -0.001 0.000 0.324 118 Y C 1.291 177.257 175.900 0.110 0.000 1.238 118 Y CA -0.783 57.391 58.100 0.124 0.000 1.280 118 Y CB 1.678 40.201 38.460 0.105 0.000 1.248 118 Y HN 0.649 nan 8.280 nan 0.000 0.508 119 S N 1.252 117.158 115.700 0.344 0.000 2.327 119 S HA 0.553 5.022 4.470 -0.001 0.000 0.203 119 S C 0.329 175.045 174.600 0.193 0.000 1.326 119 S CA 0.266 58.613 58.200 0.244 0.000 1.248 119 S CB -0.939 62.405 63.200 0.240 0.000 1.199 119 S HN 1.248 nan 8.310 nan 0.000 0.422 120 G N 2.032 110.882 108.800 0.083 0.000 3.110 120 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.238 120 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.238 120 G C 0.263 175.111 174.900 -0.087 0.000 1.647 120 G CA 0.083 45.151 45.100 -0.053 0.000 1.146 120 G HN 0.534 nan 8.290 nan 0.000 0.545 121 L N 1.109 122.221 121.223 -0.185 0.000 2.515 121 L HA 0.478 4.818 4.340 -0.001 0.000 0.223 121 L C 1.074 177.996 176.870 0.087 0.000 1.079 121 L CA -0.150 54.647 54.840 -0.072 0.000 0.857 121 L CB -0.032 42.012 42.059 -0.026 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.816 119.269 119.950 0.225 0.000 2.535 122 F HA 0.038 4.565 4.527 -0.001 0.000 0.332 122 F C 0.718 176.696 175.800 0.297 0.000 1.208 122 F CA -0.926 57.203 58.000 0.213 0.000 1.330 122 F CB 0.173 39.224 39.000 0.086 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 0.501 0.000 2.814 123 C HA 0.653 5.112 4.460 -0.001 0.000 0.269 123 C C -0.542 174.572 174.990 0.206 0.000 1.090 123 C CA -0.688 58.538 59.018 0.348 0.000 1.492 123 C CB -1.464 26.430 27.740 0.257 0.000 1.825 123 C HN 0.495 nan 8.230 nan 0.000 0.442 124 V N 5.003 125.016 119.914 0.165 0.000 2.763 124 V HA 0.337 4.457 4.120 -0.001 0.000 0.306 124 V C 0.803 176.955 176.094 0.097 0.000 1.059 124 V CA 0.792 63.133 62.300 0.069 0.000 1.138 124 V CB 1.276 33.110 31.823 0.019 0.000 0.940 124 V HN 0.852 nan 8.190 nan 0.000 0.489 125 T N 3.507 118.086 114.554 0.042 0.000 3.011 125 T HA 0.515 4.864 4.350 -0.001 0.000 0.303 125 T C -0.690 173.942 174.700 -0.113 0.000 0.997 125 T CA -0.356 61.762 62.100 0.030 0.000 1.007 125 T CB 1.523 70.484 68.868 0.156 0.000 1.017 125 T HN 0.456 nan 8.240 nan 0.000 0.443 126 V N 3.678 123.462 119.914 -0.216 0.000 2.459 126 V HA 0.445 4.564 4.120 -0.001 0.000 0.295 126 V C 0.576 176.511 176.094 -0.263 0.000 1.029 126 V CA -1.218 60.902 62.300 -0.300 0.000 0.874 126 V CB 1.547 33.075 31.823 -0.491 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.558 124.058 118.700 -0.333 0.000 2.417 127 N HA 0.055 4.795 4.740 -0.001 0.000 0.272 127 N C -1.444 173.815 175.510 -0.419 0.000 1.304 127 N CA -1.071 51.704 53.050 -0.458 0.000 0.906 127 N CB 1.205 39.230 38.487 -0.770 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 -0.541 176.806 177.300 0.077 0.000 1.157 128 P CA 1.022 64.124 63.100 0.003 0.000 0.863 128 P CB 0.096 31.756 31.700 -0.067 0.000 0.787 132 L N 5.503 125.969 121.223 -1.262 0.000 2.445 132 L HA 0.546 4.885 4.340 -0.001 0.000 0.262 132 L C -1.746 174.076 176.870 -1.747 0.000 0.974 132 L CA -1.838 52.253 54.840 -1.248 0.000 0.822 132 L CB 2.703 44.275 42.059 -0.811 0.000 1.339 132 L HN 0.210 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 0.308 63.157 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 -1.477 118.410 119.914 -0.045 0.000 2.719 134 V HA -0.162 3.958 4.120 -0.001 0.000 0.252 134 V C 1.522 177.935 176.094 0.531 0.000 1.065 134 V CA 1.511 63.990 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 0.077 nan 8.190 nan 0.000 0.467 135 Y N -0.132 120.270 120.300 0.170 0.000 2.471 135 Y HA 0.231 4.781 4.550 -0.001 0.000 0.286 135 Y C 1.171 177.233 175.900 0.271 0.000 1.188 135 Y CA -1.162 57.145 58.100 0.344 0.000 1.286 135 Y CB -1.349 37.245 38.460 0.223 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.250 122.160 118.700 0.350 0.000 2.359 136 N HA -0.043 4.696 4.740 -0.001 0.000 0.261 136 N C -2.307 173.290 175.510 0.145 0.000 1.267 136 N CA -0.927 52.272 53.050 0.248 0.000 0.864 136 N CB 0.635 39.258 38.487 0.226 0.000 1.063 136 N HN 0.039 nan 8.380 nan 0.000 0.474 140 V N 1.098 120.833 119.914 -0.298 0.000 2.277 140 V HA -0.352 3.767 4.120 -0.001 0.000 0.255 140 V C 2.308 178.313 176.094 -0.149 0.000 1.074 140 V CA 3.122 65.194 62.300 -0.381 0.000 1.058 140 V CB -0.507 31.130 31.823 -0.310 0.000 0.656 140 V HN 0.485 nan 8.190 nan 0.000 0.449 141 L N -0.180 120.953 121.223 -0.150 0.000 2.044 141 L HA -0.017 4.323 4.340 -0.001 0.000 0.205 141 L C 2.626 179.416 176.870 -0.132 0.000 1.075 141 L CA 2.042 56.805 54.840 -0.129 0.000 0.747 141 L CB -1.201 40.775 42.059 -0.139 0.000 0.903 141 L HN 0.262 nan 8.230 nan 0.000 0.435 142 A N -1.080 121.598 122.820 -0.238 0.000 1.917 142 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 142 A C 2.066 179.499 177.584 -0.251 0.000 1.182 142 A CA 1.851 53.639 52.037 -0.414 0.000 0.633 142 A CB -1.065 17.369 19.000 -0.943 0.000 0.819 142 A HN 0.457 nan 8.150 nan 0.000 0.448 143 Y N -1.029 119.254 120.300 -0.028 0.000 2.529 143 Y HA 0.176 4.726 4.550 -0.001 0.000 0.290 143 Y C 1.037 176.981 175.900 0.073 0.000 1.177 143 Y CA 0.280 58.425 58.100 0.075 0.000 1.305 143 Y CB -0.051 38.465 38.460 0.093 0.000 1.047 143 Y HN 0.153 nan 8.280 nan 0.000 0.522 144 R N 0.778 121.365 120.500 0.144 0.000 2.242 144 R HA 0.374 4.714 4.340 -0.001 0.000 0.334 144 R C 0.771 177.114 176.300 0.071 0.000 1.071 144 R CA 0.107 56.269 56.100 0.104 0.000 0.922 144 R CB -0.392 29.916 30.300 0.014 0.000 1.023 144 R HN 0.396 nan 8.270 nan 0.000 0.458 145 G N 2.755 111.613 108.800 0.096 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 -0.459 174.476 174.900 0.057 0.000 0.989 145 G CA 0.094 45.234 45.100 0.066 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.156 121.612 120.400 0.093 0.000 2.265 146 K HA 0.536 4.856 4.320 -0.001 0.000 0.267 146 K C 0.638 177.308 176.600 0.117 0.000 0.994 146 K CA -0.745 55.605 56.287 0.105 0.000 0.860 146 K CB 0.871 33.462 32.500 0.153 0.000 1.099 146 K HN 0.089 nan 8.250 nan 0.000 0.448 147 K N 1.811 122.259 120.400 0.080 0.000 2.336 147 K HA 0.011 4.330 4.320 -0.001 0.000 0.262 147 K C 0.972 177.662 176.600 0.150 0.000 0.992 147 K CA 0.012 56.349 56.287 0.084 0.000 0.927 147 K CB 0.309 32.853 32.500 0.075 0.000 0.956 147 K HN 0.638 nan 8.250 nan 0.000 0.495 148 R N 0.476 121.065 120.500 0.148 0.000 2.369 148 R HA -0.099 4.240 4.340 -0.001 0.000 0.200 148 R C 0.497 176.913 176.300 0.192 0.000 1.046 148 R CA 1.092 57.307 56.100 0.191 0.000 1.057 148 R CB -0.126 30.232 30.300 0.096 0.000 0.888 148 R HN 0.484 nan 8.270 nan 0.000 0.474 149 Q N 0.469 120.368 119.800 0.165 0.000 2.352 149 Q HA 0.093 4.433 4.340 -0.001 0.000 0.212 149 Q C 0.813 176.904 176.000 0.152 0.000 0.888 149 Q CA 0.422 56.325 55.803 0.166 0.000 0.934 149 Q CB 0.706 29.553 28.738 0.182 0.000 1.093 149 Q HN 0.505 nan 8.270 nan 0.000 0.523 150 E N 0.275 120.562 120.200 0.145 0.000 2.478 150 E HA 0.245 4.594 4.350 -0.001 0.000 0.194 150 E C -0.126 176.554 176.600 0.133 0.000 1.045 150 E CA 0.166 56.634 56.400 0.115 0.000 0.868 150 E CB 0.651 30.408 29.700 0.096 0.000 0.885 150 E HN 0.220 nan 8.360 nan 0.000 0.505 151 A N 1.664 124.598 122.820 0.191 0.000 2.587 151 A HA 0.523 4.842 4.320 -0.001 0.000 0.293 151 A C -2.794 174.959 177.584 0.283 0.000 1.087 151 A CA -1.579 50.582 52.037 0.207 0.000 0.692 151 A CB 1.176 20.308 19.000 0.220 0.000 1.291 151 A HN -0.189 nan 8.150 nan 0.000 0.407 152 P HA 0.349 nan 4.420 nan 0.000 0.272 152 P C -2.749 174.707 177.300 0.260 0.000 1.240 152 P CA -1.392 61.812 63.100 0.174 0.000 0.791 152 P CB -0.647 31.055 31.700 0.003 0.000 0.978 153 P HA 0.033 nan 4.420 nan 0.000 0.258 153 P C -0.417 176.812 177.300 -0.118 0.000 1.187 153 P CA 1.203 64.097 63.100 -0.343 0.000 0.767 153 P CB -0.262 31.069 31.700 -0.616 0.000 0.770 154 H N 1.615 120.416 119.070 -0.449 0.000 3.094 154 H HA 0.208 4.764 4.556 -0.001 0.000 0.335 154 H C 0.709 175.501 175.328 -0.892 0.000 1.254 154 H CA -0.777 54.762 56.048 -0.848 0.000 1.240 154 H CB 1.364 30.656 29.762 -0.783 0.000 1.936 154 H HN 0.125 nan 8.280 nan 0.000 0.536 155 I N 2.461 122.309 120.570 -1.204 0.000 2.361 155 I HA -0.261 3.908 4.170 -0.001 0.000 0.251 155 I C 1.186 176.622 176.117 -1.135 0.000 1.133 155 I CA 1.301 61.966 61.300 -1.057 0.000 1.413 155 I CB -0.048 37.273 38.000 -1.133 0.000 1.073 155 I HN 0.496 nan 8.210 nan 0.000 0.424 156 F N -0.516 118.578 119.950 -1.427 0.000 2.502 156 F HA -0.127 4.400 4.527 -0.001 0.000 0.298 156 F C 2.698 177.955 175.800 -0.905 0.000 1.111 156 F CA 0.710 57.917 58.000 -1.321 0.000 1.445 156 F CB -0.779 37.458 39.000 -1.273 0.000 1.081 156 F HN -0.051 nan 8.300 nan 0.000 0.558 157 S N 0.379 115.682 115.700 -0.663 0.000 2.355 157 S HA -0.149 4.321 4.470 -0.001 0.000 0.222 157 S C 2.156 176.675 174.600 -0.135 0.000 1.031 157 S CA 1.101 59.169 58.200 -0.220 0.000 0.993 157 S CB -0.372 62.849 63.200 0.034 0.000 0.859 157 S HN 0.212 nan 8.310 nan 0.000 0.453 158 I N 1.505 121.963 120.570 -0.187 0.000 2.142 158 I HA -0.174 3.995 4.170 -0.001 0.000 0.240 158 I C 2.668 178.670 176.117 -0.192 0.000 1.078 158 I CA 1.662 62.883 61.300 -0.133 0.000 1.343 158 I CB -0.466 37.478 38.000 -0.093 0.000 1.046 158 I HN 0.405 nan 8.210 nan 0.000 0.405 159 S N -0.821 114.703 115.700 -0.292 0.000 2.442 159 S HA -0.238 4.232 4.470 -0.001 0.000 0.236 159 S C 1.904 176.417 174.600 -0.145 0.000 1.007 159 S CA 1.677 59.707 58.200 -0.283 0.000 0.965 159 S CB -0.396 62.403 63.200 -0.669 0.000 0.773 159 S HN 0.540 nan 8.310 nan 0.000 0.504 160 D N 0.752 121.078 120.400 -0.123 0.000 2.259 160 D HA 0.019 4.659 4.640 -0.001 0.000 0.216 160 D C 1.766 178.166 176.300 0.166 0.000 0.961 160 D CA 0.387 54.462 54.000 0.125 0.000 0.878 160 D CB -0.289 40.606 40.800 0.159 0.000 1.009 160 D HN 0.419 nan 8.370 nan 0.000 0.490 161 N N 0.880 119.621 118.700 0.069 0.000 2.149 161 N HA -0.153 4.587 4.740 -0.001 0.000 0.188 161 N C 1.854 177.494 175.510 0.216 0.000 1.019 161 N CA 1.003 54.098 53.050 0.075 0.000 0.857 161 N CB 0.039 38.587 38.487 0.103 0.000 0.997 161 N HN 0.157 nan 8.380 nan 0.000 0.426 162 A N 0.962 123.826 122.820 0.074 0.000 1.851 162 A HA -0.229 4.090 4.320 -0.001 0.000 0.216 162 A C 2.098 179.830 177.584 0.248 0.000 1.195 162 A CA 1.286 53.368 52.037 0.074 0.000 0.622 162 A CB -1.213 17.842 19.000 0.092 0.000 0.831 162 A HN 0.377 nan 8.150 nan 0.000 0.444 163 Y N 0.545 120.941 120.300 0.160 0.000 2.081 163 Y HA -0.308 4.241 4.550 -0.001 0.000 0.280 163 Y C 2.656 178.567 175.900 0.019 0.000 1.163 163 Y CA 2.295 60.435 58.100 0.067 0.000 1.135 163 Y CB -0.672 37.882 38.460 0.158 0.000 0.970 163 Y HN 0.474 nan 8.280 nan 0.000 0.498 164 Q N -1.161 118.702 119.800 0.106 0.000 1.927 164 Q HA -0.256 4.084 4.340 -0.001 0.000 0.210 164 Q C 2.180 178.137 176.000 -0.072 0.000 1.001 164 Q CA 2.131 57.897 55.803 -0.062 0.000 0.862 164 Q CB -0.702 27.946 28.738 -0.150 0.000 0.934 164 Q HN 0.434 nan 8.270 nan 0.000 0.420 165 F N 0.722 120.666 119.950 -0.011 0.000 2.141 165 F HA -0.322 4.205 4.527 -0.001 0.000 0.300 165 F C 2.375 178.126 175.800 -0.082 0.000 1.079 165 F CA 1.471 59.484 58.000 0.022 0.000 1.264 165 F CB -0.547 38.538 39.000 0.142 0.000 1.011 165 F HN 0.246 nan 8.300 nan 0.000 0.487 166 M N -0.324 119.314 119.600 0.062 0.000 2.059 166 M HA -0.234 4.246 4.480 -0.001 0.000 0.259 166 M C 2.084 178.151 176.300 -0.388 0.000 1.072 166 M CA 2.042 57.222 55.300 -0.200 0.000 1.117 166 M CB -0.451 31.994 32.600 -0.259 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.853 120.152 121.223 -0.364 0.000 2.156 167 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 167 L C 2.299 179.060 176.870 -0.183 0.000 1.095 167 L CA 1.251 55.908 54.840 -0.304 0.000 0.770 167 L CB -1.355 40.547 42.059 -0.262 0.000 0.914 167 L HN 0.272 nan 8.230 nan 0.000 0.439 168 T N -0.303 114.181 114.554 -0.117 0.000 2.701 168 T HA -0.130 4.220 4.350 -0.001 0.000 0.263 168 T C 1.299 175.979 174.700 -0.033 0.000 1.040 168 T CA 1.727 63.793 62.100 -0.056 0.000 1.147 168 T CB -0.217 68.630 68.868 -0.035 0.000 0.865 168 T HN 0.366 nan 8.240 nan 0.000 0.426 169 D N 0.328 120.729 120.400 0.001 0.000 2.348 169 D HA 0.098 4.737 4.640 -0.001 0.000 0.211 169 D C 0.621 176.863 176.300 -0.096 0.000 0.998 169 D CA 0.069 54.061 54.000 -0.014 0.000 0.873 169 D CB -0.062 40.768 40.800 0.050 0.000 0.925 169 D HN 0.250 nan 8.370 nan 0.000 0.524 170 R N 0.483 120.850 120.500 -0.221 0.000 3.531 170 R HA -0.154 4.186 4.340 -0.001 0.000 0.280 170 R C -0.618 175.528 176.300 -0.258 0.000 1.130 170 R CA 0.664 56.561 56.100 -0.340 0.000 0.757 170 R CB -2.292 27.953 30.300 -0.091 0.000 1.218 170 R HN 0.414 nan 8.270 nan 0.000 0.454 171 E N 0.541 120.584 120.200 -0.261 0.000 2.299 171 E HA 0.360 4.710 4.350 -0.001 0.000 0.265 171 E C -0.162 176.331 176.600 -0.178 0.000 0.911 171 E CA -1.064 55.252 56.400 -0.141 0.000 0.789 171 E CB 1.279 30.931 29.700 -0.080 0.000 1.246 171 E HN 0.110 nan 8.360 nan 0.000 0.427 172 N N 1.482 120.090 118.700 -0.153 0.000 2.445 172 N HA 0.183 4.923 4.740 -0.001 0.000 0.264 172 N C -0.365 175.010 175.510 -0.225 0.000 1.227 172 N CA -0.327 52.536 53.050 -0.313 0.000 0.963 172 N CB 0.974 39.002 38.487 -0.765 0.000 1.188 172 N HN 0.339 nan 8.380 nan 0.000 0.491 173 Q N -0.401 119.241 119.800 -0.264 0.000 2.495 173 Q HA 0.619 4.959 4.340 -0.001 0.000 0.283 173 Q C -1.055 174.920 176.000 -0.042 0.000 1.097 173 Q CA -0.680 55.080 55.803 -0.073 0.000 0.836 173 Q CB 1.865 30.615 28.738 0.021 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.646 115.085 115.700 0.052 0.000 2.565 174 S HA 0.803 5.273 4.470 -0.001 0.000 0.269 174 S C -1.405 173.249 174.600 0.091 0.000 1.153 174 S CA -0.728 57.537 58.200 0.108 0.000 0.835 174 S CB 0.786 64.071 63.200 0.142 0.000 1.122 174 S HN 0.425 nan 8.310 nan 0.000 0.462 175 I N 1.399 122.046 120.570 0.128 0.000 2.512 175 I HA 0.396 4.565 4.170 -0.001 0.000 0.287 175 I C -1.668 174.524 176.117 0.125 0.000 1.069 175 I CA -0.487 60.881 61.300 0.114 0.000 1.056 175 I CB 1.854 39.945 38.000 0.152 0.000 1.229 175 I HN 0.548 nan 8.210 nan 0.000 0.429 176 L N 7.797 129.071 121.223 0.085 0.000 2.277 176 L HA 0.515 4.855 4.340 -0.001 0.000 0.284 176 L C -0.402 176.580 176.870 0.187 0.000 1.028 176 L CA -0.044 54.888 54.840 0.152 0.000 0.835 176 L CB 0.724 42.885 42.059 0.170 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.361 123.025 120.570 0.158 0.000 2.353 177 I HA 0.585 4.755 4.170 -0.001 0.000 0.293 177 I C 0.418 176.602 176.117 0.112 0.000 0.992 177 I CA 0.301 61.678 61.300 0.127 0.000 1.268 177 I CB 1.632 39.696 38.000 0.107 0.000 1.387 177 I HN 0.509 nan 8.210 nan 0.000 0.478 178 T N 3.476 118.080 114.554 0.084 0.000 3.012 178 T HA 0.768 5.118 4.350 -0.001 0.000 0.330 178 T C -0.646 174.070 174.700 0.026 0.000 1.321 178 T CA -0.647 61.491 62.100 0.064 0.000 1.067 178 T CB 1.800 70.713 68.868 0.075 0.000 1.235 178 T HN 0.944 nan 8.240 nan 0.000 0.479 179 G N 1.561 110.379 108.800 0.030 0.000 2.356 179 G HA2 0.505 4.464 3.960 -0.001 0.000 0.294 179 G HA3 0.505 4.464 3.960 -0.001 0.000 0.294 179 G C -1.555 173.363 174.900 0.030 0.000 1.423 179 G CA -0.870 44.238 45.100 0.013 0.000 0.806 179 G HN 0.691 nan 8.290 nan 0.000 0.527 180 E N 0.210 120.426 120.200 0.026 0.000 2.391 180 E HA 0.285 4.635 4.350 -0.001 0.000 0.255 180 E C 1.204 177.835 176.600 0.052 0.000 1.187 180 E CA 0.112 56.539 56.400 0.045 0.000 0.941 180 E CB 1.123 30.851 29.700 0.046 0.000 1.010 180 E HN 0.352 nan 8.360 nan 0.000 0.458 181 S N 0.846 116.588 115.700 0.070 0.000 2.399 181 S HA -0.217 4.253 4.470 -0.001 0.000 0.235 181 S C 1.591 176.227 174.600 0.060 0.000 1.063 181 S CA 1.974 60.213 58.200 0.065 0.000 1.070 181 S CB -0.478 62.766 63.200 0.072 0.000 0.904 181 S HN 0.699 nan 8.310 nan 0.000 0.456 182 G N -0.968 107.873 108.800 0.068 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 1.244 176.192 174.900 0.081 0.000 1.142 182 G CA 0.587 45.740 45.100 0.089 0.000 0.759 182 G HN 0.571 nan 8.290 nan 0.000 0.550 183 A N 0.335 123.180 122.820 0.042 0.000 2.070 183 A HA 0.380 4.700 4.320 -0.001 0.000 0.220 183 A C 1.933 179.517 177.584 0.001 0.000 1.159 183 A CA 1.494 53.534 52.037 0.005 0.000 0.656 183 A CB -0.539 18.457 19.000 -0.006 0.000 0.800 183 A HN 1.630 nan 8.150 nan 0.000 0.453 184 G N -0.565 108.254 108.800 0.033 0.000 2.452 184 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.275 184 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.275 184 G C 0.402 175.330 174.900 0.047 0.000 1.131 184 G CA 0.507 45.631 45.100 0.041 0.000 1.031 184 G HN 0.646 nan 8.290 nan 0.000 0.511 185 K N -0.490 119.938 120.400 0.047 0.000 2.067 185 K HA 0.017 4.337 4.320 -0.001 0.000 0.203 185 K C 2.560 179.199 176.600 0.064 0.000 1.048 185 K CA 1.480 57.799 56.287 0.054 0.000 0.954 185 K CB -0.450 32.080 32.500 0.049 0.000 0.737 185 K HN 0.311 nan 8.250 nan 0.000 0.444 186 T N 2.154 116.741 114.554 0.055 0.000 2.649 186 T HA -0.194 4.155 4.350 -0.001 0.000 0.268 186 T C 2.202 176.957 174.700 0.092 0.000 1.036 186 T CA 2.022 64.161 62.100 0.066 0.000 1.157 186 T CB -0.899 68.005 68.868 0.060 0.000 0.861 186 T HN 0.027 nan 8.240 nan 0.000 0.445 187 V N 2.684 122.655 119.914 0.094 0.000 2.282 187 V HA -0.260 3.860 4.120 -0.001 0.000 0.249 187 V C 2.493 178.673 176.094 0.143 0.000 1.057 187 V CA 1.897 64.266 62.300 0.116 0.000 1.032 187 V CB -0.814 31.069 31.823 0.100 0.000 0.645 187 V HN 0.446 nan 8.190 nan 0.000 0.447 188 N N 0.244 119.014 118.700 0.117 0.000 2.106 188 N HA -0.066 4.674 4.740 -0.001 0.000 0.188 188 N C 1.189 176.734 175.510 0.057 0.000 1.029 188 N CA 1.407 54.508 53.050 0.085 0.000 0.848 188 N CB -0.607 37.913 38.487 0.055 0.000 1.007 188 N HN 0.571 nan 8.380 nan 0.000 0.423 192 V N 1.741 121.654 119.914 -0.001 0.000 2.379 192 V HA -0.173 3.947 4.120 -0.001 0.000 0.245 192 V C 2.136 178.322 176.094 0.153 0.000 1.044 192 V CA 1.909 64.192 62.300 -0.029 0.000 1.036 192 V CB -0.337 31.502 31.823 0.027 0.000 0.664 192 V HN 0.250 nan 8.190 nan 0.000 0.453 193 I N 0.123 120.826 120.570 0.221 0.000 2.163 193 I HA -0.284 3.886 4.170 -0.001 0.000 0.243 193 I C 2.779 179.051 176.117 0.257 0.000 1.085 193 I CA 1.669 63.144 61.300 0.291 0.000 1.347 193 I CB -0.934 37.192 38.000 0.211 0.000 1.044 193 I HN 0.441 nan 8.210 nan 0.000 0.408 194 Q N 0.086 120.008 119.800 0.203 0.000 2.077 194 Q HA -0.288 4.051 4.340 -0.001 0.000 0.206 194 Q C 2.213 178.304 176.000 0.152 0.000 0.989 194 Q CA 2.010 57.918 55.803 0.175 0.000 0.853 194 Q CB -0.938 27.913 28.738 0.188 0.000 0.907 194 Q HN 0.524 nan 8.270 nan 0.000 0.418 195 Y N 0.827 121.147 120.300 0.034 0.000 2.069 195 Y HA -0.305 4.245 4.550 -0.001 0.000 0.278 195 Y C 2.058 177.841 175.900 -0.195 0.000 1.175 195 Y CA 1.706 59.750 58.100 -0.094 0.000 1.134 195 Y CB -0.528 37.815 38.460 -0.196 0.000 0.965 195 Y HN -0.025 nan 8.280 nan 0.000 0.498 196 F N -0.483 119.585 119.950 0.197 0.000 2.069 196 F HA -0.217 4.310 4.527 -0.001 0.000 0.298 196 F C 2.633 178.469 175.800 0.060 0.000 1.113 196 F CA 1.439 59.524 58.000 0.142 0.000 1.214 196 F CB -1.433 37.801 39.000 0.390 0.000 0.978 196 F HN 0.127 nan 8.300 nan 0.000 0.474 197 A N 0.115 123.082 122.820 0.245 0.000 1.883 197 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 197 A C 2.270 179.877 177.584 0.038 0.000 1.186 197 A CA 2.767 54.889 52.037 0.141 0.000 0.624 197 A CB -1.481 17.586 19.000 0.111 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.718 115.242 114.554 -0.050 0.000 2.569 198 T HA -0.188 4.161 4.350 -0.001 0.000 0.263 198 T C 1.824 176.412 174.700 -0.186 0.000 1.074 198 T CA 1.435 63.462 62.100 -0.123 0.000 1.176 198 T CB -0.974 67.788 68.868 -0.176 0.000 0.863 198 T HN 0.811 nan 8.240 nan 0.000 0.410 199 I N 0.230 120.574 120.570 -0.376 0.000 3.233 199 I HA 0.282 4.451 4.170 -0.001 0.000 0.287 199 I C 0.884 176.841 176.117 -0.267 0.000 1.329 199 I CA 0.910 61.967 61.300 -0.405 0.000 1.385 199 I CB -0.834 36.754 38.000 -0.686 0.000 1.053 199 I HN 0.347 nan 8.210 nan 0.000 0.525 200 A N 0.314 123.072 122.820 -0.103 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 0.146 0.000 1.102 200 A CA 0.059 52.125 52.037 0.049 0.000 1.128 200 A CB -0.619 18.431 19.000 0.084 0.000 1.310 200 A HN 0.498 nan 8.150 nan 0.000 0.726 201 A N 0.202 123.068 122.820 0.077 0.000 3.804 201 A HA 0.937 5.257 4.320 -0.001 0.000 0.174 201 A C 0.864 178.485 177.584 0.061 0.000 1.510 201 A CA 0.453 52.535 52.037 0.076 0.000 1.542 201 A CB -0.225 18.802 19.000 0.044 0.000 1.611 201 A HN 2.183 nan 8.150 nan 0.000 0.626 202 S N -2.369 113.355 115.700 0.041 0.000 3.956 202 S HA 0.043 4.513 4.470 -0.001 0.000 0.685 202 S C 0.450 175.070 174.600 0.034 0.000 0.569 202 S CA 0.940 59.161 58.200 0.035 0.000 1.348 202 S CB -1.692 61.535 63.200 0.045 0.000 0.726 202 S HN 2.286 nan 8.310 nan 0.000 0.895 203 G N 1.144 109.959 108.800 0.025 0.000 3.042 203 G HA2 0.469 4.429 3.960 -0.001 0.000 0.212 203 G HA3 0.469 4.429 3.960 -0.001 0.000 0.212 203 G C 0.720 175.629 174.900 0.015 0.000 1.166 203 G CA 0.664 45.776 45.100 0.019 0.000 0.767 203 G HN 1.040 nan 8.290 nan 0.000 0.546 204 E N -0.553 119.657 120.200 0.016 0.000 4.277 204 E HA -0.373 3.977 4.350 -0.001 0.000 0.189 204 E C 1.766 178.372 176.600 0.010 0.000 1.264 204 E CA 2.002 58.410 56.400 0.013 0.000 2.321 204 E CB -0.955 28.752 29.700 0.013 0.000 1.841 204 E HN 0.444 nan 8.360 nan 0.000 0.373 205 K N 1.025 121.430 120.400 0.008 0.000 2.116 205 K HA 0.007 4.327 4.320 -0.001 0.000 0.203 205 K C 1.864 178.467 176.600 0.006 0.000 1.052 205 K CA 1.152 57.443 56.287 0.006 0.000 0.952 205 K CB -0.088 32.414 32.500 0.004 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 0.007 0.000 2.439 206 K HA -0.037 4.282 4.320 -0.001 0.000 0.197 206 K C 1.527 178.133 176.600 0.010 0.000 1.041 206 K CA 0.695 56.987 56.287 0.007 0.000 0.970 206 K CB 0.140 32.644 32.500 0.007 0.000 0.773 206 K HN 0.094 nan 8.250 nan 0.000 0.479 207 K N 1.225 121.631 120.400 0.010 0.000 2.288 207 K HA -0.040 4.279 4.320 -0.001 0.000 0.201 207 K C 0.221 176.827 176.600 0.010 0.000 1.048 207 K CA 0.612 56.906 56.287 0.010 0.000 0.956 207 K CB 0.089 32.595 32.500 0.010 0.000 0.746 207 K HN 0.273 nan 8.250 nan 0.000 0.461 208 E N 1.514 121.719 120.200 0.009 0.000 2.404 208 E HA -0.022 4.328 4.350 -0.001 0.000 0.261 208 E C -0.542 176.064 176.600 0.009 0.000 1.074 208 E CA 0.039 56.444 56.400 0.008 0.000 0.917 208 E CB 0.500 30.205 29.700 0.007 0.000 0.965 208 E HN 0.123 nan 8.360 nan 0.000 0.433 209 E N 2.116 122.321 120.200 0.009 0.000 2.148 209 E HA -0.010 4.339 4.350 -0.001 0.000 0.308 209 E C -0.705 175.901 176.600 0.010 0.000 1.278 209 E CA 0.180 56.586 56.400 0.010 0.000 1.368 209 E CB -0.051 29.655 29.700 0.010 0.000 1.229 209 E HN 0.254 nan 8.360 nan 0.000 0.494 210 Q N 0.664 120.470 119.800 0.010 0.000 3.147 210 Q HA 0.092 4.432 4.340 -0.001 0.000 0.224 210 Q C -0.468 175.539 176.000 0.011 0.000 0.901 210 Q CA -0.420 55.389 55.803 0.010 0.000 0.729 210 Q CB 1.495 30.238 28.738 0.008 0.000 1.363 210 Q HN 0.502 nan 8.270 nan 0.000 0.467 211 S N -1.284 114.424 115.700 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 0.016 0.000 1.135 211 S CA 0.361 58.570 58.200 0.014 0.000 0.942 211 S CB -2.226 60.982 63.200 0.013 0.000 0.930 211 S HN 0.844 nan 8.310 nan 0.000 0.512 212 G N 0.810 109.619 108.800 0.016 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 0.687 175.600 174.900 0.021 0.000 1.249 212 G CA 0.266 45.376 45.100 0.017 0.000 0.919 212 G HN 0.938 nan 8.290 nan 0.000 0.486 213 K N -0.080 120.332 120.400 0.021 0.000 3.548 213 K HA -0.148 4.172 4.320 -0.001 0.000 0.296 213 K C 0.900 177.516 176.600 0.026 0.000 1.324 213 K CA 0.872 57.175 56.287 0.026 0.000 0.976 213 K CB -1.107 31.412 32.500 0.032 0.000 1.294 213 K HN 0.451 nan 8.250 nan 0.000 0.464 214 M N 1.552 121.165 119.600 0.022 0.000 2.157 214 M HA 0.109 4.589 4.480 -0.001 0.000 0.304 214 M C 0.800 177.111 176.300 0.018 0.000 1.171 214 M CA 0.529 55.842 55.300 0.023 0.000 1.157 214 M CB 0.042 32.654 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 0.020 0.000 2.315 215 Q HA 0.291 4.630 4.340 -0.001 0.000 0.289 215 Q C 0.838 176.841 176.000 0.005 0.000 1.044 215 Q CA 0.992 56.803 55.803 0.013 0.000 0.920 215 Q CB 0.157 28.907 28.738 0.020 0.000 1.214 215 Q HN 1.023 nan 8.270 nan 0.000 0.392 216 G N 1.813 110.610 108.800 -0.005 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 0.015 174.909 174.900 -0.010 0.000 1.000 216 G CA -0.111 44.984 45.100 -0.009 0.000 0.693 216 G HN 0.561 nan 8.290 nan 0.000 0.480 217 T N 1.888 116.438 114.554 -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 -0.008 0.000 1.073 217 T CA -0.501 61.595 62.100 -0.007 0.000 0.999 217 T CB 2.447 71.317 68.868 0.002 0.000 1.098 217 T HN 1.011 nan 8.240 nan 0.000 0.477 218 L N 1.556 122.771 121.223 -0.014 0.000 2.296 218 L HA 0.806 5.145 4.340 -0.001 0.000 0.286 218 L C 0.129 176.998 176.870 -0.002 0.000 1.023 218 L CA -0.274 54.557 54.840 -0.016 0.000 0.812 218 L CB 0.650 42.687 42.059 -0.038 0.000 1.223 218 L HN 0.995 nan 8.230 nan 0.000 0.421 219 E N 1.352 121.557 120.200 0.008 0.000 3.026 219 E HA -0.136 4.214 4.350 -0.001 0.000 0.271 219 E C 0.305 176.924 176.600 0.032 0.000 0.499 219 E CA 0.786 57.202 56.400 0.026 0.000 1.976 219 E CB -0.566 29.150 29.700 0.028 0.000 2.815 219 E HN 0.793 nan 8.360 nan 0.000 0.619 220 D N 0.508 120.921 120.400 0.022 0.000 2.414 220 D HA -0.015 4.625 4.640 -0.001 0.000 0.237 220 D C 1.772 178.086 176.300 0.022 0.000 0.975 220 D CA 0.991 55.006 54.000 0.027 0.000 0.917 220 D CB -0.206 40.607 40.800 0.021 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 0.005 0.000 2.077 221 Q HA -0.159 4.180 4.340 -0.001 0.000 0.206 221 Q C 2.324 178.323 176.000 -0.002 0.000 0.989 221 Q CA 0.970 56.768 55.803 -0.008 0.000 0.853 221 Q CB -0.257 28.459 28.738 -0.036 0.000 0.907 221 Q HN 0.266 nan 8.270 nan 0.000 0.418 222 I N 1.285 121.853 120.570 -0.002 0.000 2.113 222 I HA -0.301 3.869 4.170 -0.001 0.000 0.242 222 I C 2.498 178.636 176.117 0.036 0.000 1.064 222 I CA 1.538 62.842 61.300 0.007 0.000 1.320 222 I CB -0.852 37.157 38.000 0.015 0.000 1.028 222 I HN 0.247 nan 8.210 nan 0.000 0.406 223 I N 0.002 120.601 120.570 0.048 0.000 2.162 223 I HA -0.221 3.949 4.170 -0.001 0.000 0.238 223 I C 2.552 178.709 176.117 0.066 0.000 1.076 223 I CA 1.081 62.422 61.300 0.068 0.000 1.353 223 I CB -0.705 37.338 38.000 0.071 0.000 1.063 223 I HN 0.135 nan 8.210 nan 0.000 0.408 224 S N 1.065 116.797 115.700 0.054 0.000 2.441 224 S HA -0.237 4.233 4.470 -0.001 0.000 0.242 224 S C 2.145 176.782 174.600 0.061 0.000 1.018 224 S CA 1.270 59.504 58.200 0.056 0.000 0.988 224 S CB -0.420 62.807 63.200 0.045 0.000 0.778 224 S HN 0.549 nan 8.310 nan 0.000 0.498 225 A N 3.228 126.079 122.820 0.051 0.000 1.859 225 A HA -0.261 4.058 4.320 -0.001 0.000 0.217 225 A C 1.955 179.589 177.584 0.083 0.000 1.198 225 A CA 1.909 53.974 52.037 0.047 0.000 0.629 225 A CB -0.929 18.087 19.000 0.027 0.000 0.830 225 A HN 0.607 nan 8.150 nan 0.000 0.446 226 N N 0.551 119.316 118.700 0.109 0.000 2.027 226 N HA -0.174 4.566 4.740 -0.001 0.000 0.200 226 N C -0.923 174.691 175.510 0.173 0.000 1.042 226 N CA 2.049 55.193 53.050 0.155 0.000 0.871 226 N CB -2.280 36.297 38.487 0.151 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 1.550 178.935 177.300 0.141 0.000 1.145 227 P CA 0.671 63.852 63.100 0.136 0.000 0.769 227 P CB -0.002 31.758 31.700 0.101 0.000 0.769 228 L N -1.322 119.989 121.223 0.147 0.000 2.185 228 L HA 0.067 4.407 4.340 -0.001 0.000 0.198 228 L C 2.100 179.150 176.870 0.301 0.000 1.079 228 L CA 1.292 56.236 54.840 0.174 0.000 0.780 228 L CB -1.442 40.668 42.059 0.086 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 0.226 0.000 2.051 229 L HA -0.256 4.083 4.340 -0.001 0.000 0.214 229 L C 2.593 179.760 176.870 0.495 0.000 1.076 229 L CA 1.769 56.789 54.840 0.301 0.000 0.758 229 L CB -1.247 40.975 42.059 0.272 0.000 0.890 229 L HN 0.437 nan 8.230 nan 0.000 0.433 230 E N -1.105 119.343 120.200 0.414 0.000 2.153 230 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 230 E C 2.167 178.979 176.600 0.354 0.000 0.988 230 E CA 1.098 57.739 56.400 0.403 0.000 0.811 230 E CB -0.117 29.773 29.700 0.317 0.000 0.746 230 E HN 0.525 nan 8.360 nan 0.000 0.466 231 A N 0.267 123.226 122.820 0.231 0.000 2.015 231 A HA -0.102 4.218 4.320 -0.001 0.000 0.219 231 A C 1.655 179.126 177.584 -0.189 0.000 1.163 231 A CA 1.021 53.063 52.037 0.008 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 -1.237 118.800 119.950 0.145 0.000 2.559 232 F HA 0.252 4.779 4.527 -0.000 0.000 0.286 232 F C 2.258 178.008 175.800 -0.083 0.000 1.108 232 F CA 0.729 58.762 58.000 0.056 0.000 1.436 232 F CB -0.046 38.976 39.000 0.036 0.000 1.130 232 F HN 0.242 nan 8.300 nan 0.000 0.584 233 G N -0.753 108.267 108.800 0.367 0.000 3.393 233 G HA2 0.160 4.120 3.960 -0.001 0.000 0.255 233 G HA3 0.160 4.120 3.960 -0.001 0.000 0.255 233 G C -0.299 175.064 174.900 0.773 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 -0.226 118.788 118.700 0.524 0.000 2.265 234 N HA 0.825 5.565 4.740 -0.001 0.000 0.300 234 N C -0.326 174.977 175.510 -0.345 0.000 1.148 234 N CA -0.006 53.141 53.050 0.161 0.000 0.772 234 N CB 2.327 40.928 38.487 0.190 0.000 1.434 234 N HN 0.223 nan 8.380 nan 0.000 0.481 238 V N 1.086 120.977 119.914 -0.038 0.000 2.913 238 V HA -0.039 4.080 4.120 -0.001 0.000 0.260 238 V C 1.991 178.073 176.094 -0.020 0.000 1.098 238 V CA 1.755 64.033 62.300 -0.036 0.000 1.121 238 V CB -0.499 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 -0.523 119.976 120.500 -0.002 0.000 2.087 239 R HA 0.163 4.503 4.340 -0.001 0.000 0.213 239 R C 0.898 177.217 176.300 0.031 0.000 1.137 239 R CA 0.364 56.475 56.100 0.018 0.000 1.022 239 R CB -0.071 30.253 30.300 0.039 0.000 0.920 239 R HN 0.428 nan 8.270 nan 0.000 0.451 240 N N 0.069 118.791 118.700 0.038 0.000 2.483 240 N HA 0.050 4.790 4.740 -0.001 0.000 0.285 240 N C -0.399 175.135 175.510 0.041 0.000 1.210 240 N CA -0.112 52.971 53.050 0.055 0.000 0.931 240 N CB 1.602 40.130 38.487 0.069 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 0.055 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 54.558 54.000 0.053 0.000 0.860 241 D CB 0.190 41.005 40.800 0.026 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 0.131 0.000 2.703 242 N HA 0.102 4.841 4.740 -0.001 0.000 0.283 242 N C -1.403 174.192 175.510 0.142 0.000 1.851 242 N CA -0.059 53.116 53.050 0.209 0.000 0.826 242 N CB 0.656 39.258 38.487 0.191 0.000 1.239 242 N HN -0.292 nan 8.380 nan 0.000 0.495 243 S N -0.209 115.545 115.700 0.090 0.000 2.565 243 S HA 0.269 4.738 4.470 -0.001 0.000 0.276 243 S C 0.108 174.729 174.600 0.034 0.000 1.326 243 S CA -0.194 58.035 58.200 0.048 0.000 1.045 243 S CB 0.490 63.705 63.200 0.024 0.000 0.918 243 S HN 0.331 nan 8.310 nan 0.000 0.505 244 S N 3.267 118.961 115.700 -0.010 0.000 2.430 244 S HA 0.207 4.677 4.470 -0.001 0.000 0.282 244 S C 0.934 175.493 174.600 -0.069 0.000 1.186 244 S CA -0.490 57.638 58.200 -0.120 0.000 1.060 244 S CB 0.014 63.069 63.200 -0.241 0.000 0.966 244 S HN 0.577 nan 8.310 nan 0.000 0.501 245 R N 3.380 123.936 120.500 0.093 0.000 2.480 245 R HA 0.199 4.538 4.340 -0.001 0.000 0.277 245 R C -0.431 176.060 176.300 0.317 0.000 1.008 245 R CA 0.104 56.323 56.100 0.198 0.000 1.090 245 R CB -0.564 29.857 30.300 0.203 0.000 1.234 245 R HN 0.649 nan 8.270 nan 0.000 0.549 246 F N -3.765 116.261 119.950 0.126 0.000 2.741 246 F HA 0.709 5.236 4.527 -0.000 0.000 0.313 246 F C -0.247 175.666 175.800 0.189 0.000 1.153 246 F CA -1.532 56.549 58.000 0.134 0.000 0.931 246 F CB 0.529 39.588 39.000 0.099 0.000 1.335 246 F HN -0.135 nan 8.300 nan 0.000 0.460 250 I N 5.514 125.927 120.570 -0.262 0.000 2.359 250 I HA 0.540 4.710 4.170 -0.001 0.000 0.294 250 I C -0.243 175.562 176.117 -0.520 0.000 0.987 250 I CA -0.730 60.390 61.300 -0.300 0.000 1.225 250 I CB 1.787 39.725 38.000 -0.103 0.000 1.366 250 I HN 0.448 nan 8.210 nan 0.000 0.466 251 R N 5.988 126.228 120.500 -0.434 0.000 2.275 251 R HA 0.530 4.870 4.340 -0.001 0.000 0.326 251 R C -1.031 175.080 176.300 -0.315 0.000 0.973 251 R CA -0.483 55.326 56.100 -0.485 0.000 0.854 251 R CB 1.001 30.872 30.300 -0.714 0.000 1.156 251 R HN 0.537 nan 8.270 nan 0.000 0.487 252 I N 3.472 123.884 120.570 -0.263 0.000 2.322 252 I HA 0.110 4.279 4.170 -0.001 0.000 0.292 252 I C -0.046 175.803 176.117 -0.446 0.000 1.060 252 I CA -0.374 60.707 61.300 -0.365 0.000 1.309 252 I CB 0.528 38.243 38.000 -0.475 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.470 125.350 119.070 -0.316 0.000 2.846 253 H HA 0.318 4.873 4.556 -0.001 0.000 0.278 253 H C -0.548 174.626 175.328 -0.257 0.000 1.117 253 H CA -0.081 55.885 56.048 -0.137 0.000 1.406 253 H CB 0.168 29.877 29.762 -0.087 0.000 1.445 253 H HN 0.323 nan 8.280 nan 0.000 0.469 254 F N 1.013 121.070 119.950 0.178 0.000 2.380 254 F HA 0.320 4.846 4.527 -0.001 0.000 0.325 254 F C 1.601 177.456 175.800 0.091 0.000 1.136 254 F CA 0.035 58.132 58.000 0.161 0.000 1.171 254 F CB 0.799 39.931 39.000 0.220 0.000 1.230 254 F HN 0.551 nan 8.300 nan 0.000 0.554 255 G N 0.240 109.200 108.800 0.265 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 0.696 175.606 174.900 0.016 0.000 1.423 255 G CA -0.053 45.106 45.100 0.098 0.000 1.055 255 G HN 0.804 nan 8.290 nan 0.000 0.536 256 A N -1.447 121.362 122.820 -0.018 0.000 1.903 256 A HA 0.082 4.402 4.320 -0.001 0.000 0.213 256 A C 2.552 180.175 177.584 0.065 0.000 1.185 256 A CA 2.343 54.358 52.037 -0.037 0.000 0.628 256 A CB -1.135 17.847 19.000 -0.030 0.000 0.830 256 A HN 0.834 nan 8.150 nan 0.000 0.446 257 T N -3.142 111.456 114.554 0.073 0.000 2.622 257 T HA 0.232 4.582 4.350 -0.001 0.000 0.266 257 T C 1.525 176.294 174.700 0.116 0.000 1.047 257 T CA 2.050 64.202 62.100 0.087 0.000 1.159 257 T CB -0.595 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 0.232 109.132 108.800 0.166 0.000 2.870 258 G HA2 0.020 3.979 3.960 -0.001 0.000 0.216 258 G HA3 0.020 3.979 3.960 -0.001 0.000 0.216 258 G C -0.176 174.945 174.900 0.368 0.000 0.973 258 G CA -0.587 44.636 45.100 0.205 0.000 0.807 258 G HN 0.501 nan 8.290 nan 0.000 0.573 259 K N 0.983 121.563 120.400 0.301 0.000 2.110 259 K HA 0.534 4.854 4.320 -0.001 0.000 0.263 259 K C 0.871 177.668 176.600 0.328 0.000 0.975 259 K CA -0.795 55.676 56.287 0.307 0.000 0.895 259 K CB 1.928 34.535 32.500 0.179 0.000 1.060 259 K HN 0.202 nan 8.250 nan 0.000 0.448 260 L N 1.496 122.911 121.223 0.319 0.000 2.640 260 L HA -0.247 4.093 4.340 -0.001 0.000 0.300 260 L C 1.059 177.950 176.870 0.034 0.000 1.259 260 L CA 0.552 55.458 54.840 0.110 0.000 0.879 260 L CB 0.283 42.378 42.059 0.060 0.000 1.125 260 L HN 0.915 nan 8.230 nan 0.000 0.507 261 A N 1.742 124.532 122.820 -0.050 0.000 1.895 261 A HA 0.385 4.705 4.320 -0.001 0.000 0.198 261 A C 0.352 177.895 177.584 -0.069 0.000 1.709 261 A CA 0.287 52.304 52.037 -0.033 0.000 1.194 261 A CB 0.576 19.576 19.000 -0.001 0.000 1.260 261 A HN 0.624 nan 8.150 nan 0.000 0.441 262 S N -1.942 113.710 115.700 -0.080 0.000 2.611 262 S HA 0.760 5.229 4.470 -0.001 0.000 0.268 262 S C -0.618 173.959 174.600 -0.038 0.000 1.156 262 S CA -0.093 58.055 58.200 -0.087 0.000 0.817 262 S CB 1.546 64.638 63.200 -0.179 0.000 1.122 262 S HN 1.478 nan 8.310 nan 0.000 0.466 263 A N 0.480 123.274 122.820 -0.044 0.000 2.532 263 A HA 0.888 5.208 4.320 -0.001 0.000 0.290 263 A C -1.923 175.634 177.584 -0.046 0.000 1.143 263 A CA -0.478 51.537 52.037 -0.037 0.000 0.728 263 A CB 1.691 20.644 19.000 -0.079 0.000 1.317 263 A HN 0.725 nan 8.150 nan 0.000 0.414 264 D N 1.118 121.473 120.400 -0.076 0.000 2.354 264 D HA 0.352 4.992 4.640 -0.001 0.000 0.230 264 D C -1.247 174.985 176.300 -0.113 0.000 1.361 264 D CA -0.021 53.921 54.000 -0.098 0.000 0.992 264 D CB 0.850 41.595 40.800 -0.091 0.000 1.409 264 D HN 0.482 nan 8.370 nan 0.000 0.573 265 I N 1.456 121.969 120.570 -0.095 0.000 2.566 265 I HA 0.413 4.583 4.170 -0.001 0.000 0.303 265 I C 0.274 176.353 176.117 -0.062 0.000 0.983 265 I CA -0.535 60.726 61.300 -0.064 0.000 1.235 265 I CB 1.813 39.776 38.000 -0.062 0.000 1.386 265 I HN 0.212 nan 8.210 nan 0.000 0.494 266 E N 2.195 122.381 120.200 -0.024 0.000 2.304 266 E HA 0.406 4.755 4.350 -0.001 0.000 0.277 266 E C -1.574 174.880 176.600 -0.244 0.000 0.898 266 E CA -0.495 55.825 56.400 -0.134 0.000 0.764 266 E CB 2.150 31.783 29.700 -0.111 0.000 1.216 266 E HN 0.544 nan 8.360 nan 0.000 0.419 267 T N 2.718 117.087 114.554 -0.308 0.000 2.855 267 T HA 0.535 4.885 4.350 -0.001 0.000 0.281 267 T C -1.407 173.102 174.700 -0.318 0.000 1.007 267 T CA -0.345 61.673 62.100 -0.137 0.000 1.009 267 T CB 0.417 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 0.876 121.357 120.300 0.301 0.000 2.442 268 Y HA 0.526 5.075 4.550 -0.001 0.000 0.344 268 Y C 0.012 176.042 175.900 0.216 0.000 0.976 268 Y CA -1.722 56.525 58.100 0.245 0.000 1.040 268 Y CB 1.061 39.671 38.460 0.250 0.000 1.228 268 Y HN 0.513 nan 8.280 nan 0.000 0.451 269 L N 3.039 124.426 121.223 0.273 0.000 3.642 269 L HA -0.250 4.089 4.340 -0.001 0.000 0.613 269 L C -0.809 176.146 176.870 0.141 0.000 1.064 269 L CA 0.228 55.142 54.840 0.124 0.000 1.039 269 L CB -0.779 41.313 42.059 0.055 0.000 1.226 269 L HN 0.496 nan 8.230 nan 0.000 0.764 270 L N 2.291 123.564 121.223 0.083 0.000 2.350 270 L HA 0.383 4.723 4.340 -0.001 0.000 0.275 270 L C 0.876 177.784 176.870 0.062 0.000 1.099 270 L CA 0.376 55.243 54.840 0.046 0.000 0.808 270 L CB 1.243 43.190 42.059 -0.186 0.000 1.149 270 L HN 0.360 nan 8.230 nan 0.000 0.442 274 R N 1.704 122.236 120.500 0.053 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 -0.035 0.000 0.959 274 R CB -0.828 29.277 30.300 -0.325 0.000 0.856 274 R HN 0.331 nan 8.270 nan 0.000 0.437 275 V N 0.313 120.235 119.914 0.013 0.000 2.527 275 V HA -0.258 3.862 4.120 -0.001 0.000 0.255 275 V C 1.750 177.666 176.094 -0.298 0.000 1.081 275 V CA 2.172 64.387 62.300 -0.142 0.000 1.092 275 V CB -0.461 31.205 31.823 -0.262 0.000 0.673 275 V HN 0.424 nan 8.190 nan 0.000 0.470 276 T N -2.538 111.840 114.554 -0.294 0.000 2.958 276 T HA 0.324 4.673 4.350 -0.001 0.000 0.256 276 T C -0.184 174.407 174.700 -0.181 0.000 0.983 276 T CA 0.002 61.794 62.100 -0.514 0.000 0.924 276 T CB 0.356 68.962 68.868 -0.438 0.000 1.136 276 T HN 0.297 nan 8.240 nan 0.000 0.506 277 F N 2.051 121.849 119.950 -0.253 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 -0.153 0.000 1.123 277 F CA -0.893 56.997 58.000 -0.184 0.000 0.961 277 F CB 1.603 40.520 39.000 -0.138 0.000 1.383 277 F HN -0.074 nan 8.300 nan 0.000 0.483 278 Q N 3.511 122.732 119.800 -0.964 0.000 2.518 278 Q HA 0.324 4.663 4.340 -0.001 0.000 0.254 278 Q C -2.165 173.229 176.000 -1.010 0.000 0.962 278 Q CA -0.783 54.569 55.803 -0.752 0.000 0.982 278 Q CB 1.666 30.186 28.738 -0.363 0.000 1.516 278 Q HN 0.786 nan 8.270 nan 0.000 0.426 279 L N 2.583 123.443 121.223 -0.605 0.000 2.472 279 L HA 0.196 4.536 4.340 -0.001 0.000 0.260 279 L C -1.197 175.505 176.870 -0.280 0.000 1.209 279 L CA -1.552 53.051 54.840 -0.395 0.000 0.817 279 L CB 0.239 42.192 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 0.513 177.751 177.300 -0.103 0.000 1.148 280 P CA 1.250 64.274 63.100 -0.127 0.000 0.822 280 P CB 0.184 31.835 31.700 -0.083 0.000 0.784 281 A N -1.382 121.378 122.820 -0.101 0.000 2.348 281 A HA 0.108 4.428 4.320 -0.001 0.000 0.224 281 A C 0.870 178.395 177.584 -0.098 0.000 1.227 281 A CA -0.004 51.982 52.037 -0.085 0.000 0.885 281 A CB -0.178 18.782 19.000 -0.067 0.000 0.933 281 A HN 0.159 nan 8.150 nan 0.000 0.506 282 E N -0.171 119.954 120.200 -0.126 0.000 2.469 282 E HA 0.672 5.021 4.350 -0.001 0.000 0.246 282 E C -0.319 176.190 176.600 -0.151 0.000 0.969 282 E CA -1.009 55.312 56.400 -0.132 0.000 0.881 282 E CB 0.991 30.606 29.700 -0.141 0.000 1.320 282 E HN 0.437 nan 8.360 nan 0.000 0.421 283 R N -0.860 119.555 120.500 -0.142 0.000 2.752 283 R HA 0.456 4.796 4.340 -0.001 0.000 0.271 283 R C -0.829 175.434 176.300 -0.062 0.000 1.026 283 R CA -0.673 55.361 56.100 -0.109 0.000 0.901 283 R CB 1.610 31.787 30.300 -0.205 0.000 1.243 283 R HN 0.437 nan 8.270 nan 0.000 0.463 284 S N -0.291 115.480 115.700 0.118 0.000 2.640 284 S HA 0.297 4.767 4.470 -0.001 0.000 0.262 284 S C -0.411 174.251 174.600 0.104 0.000 1.232 284 S CA -0.551 57.667 58.200 0.030 0.000 0.988 284 S CB 0.052 63.297 63.200 0.074 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.431 121.846 120.300 0.191 0.000 2.812 285 Y HA -0.024 4.526 4.550 -0.001 0.000 0.348 285 Y C 2.008 177.994 175.900 0.144 0.000 1.274 285 Y CA 0.711 58.844 58.100 0.054 0.000 1.489 285 Y CB 0.186 38.683 38.460 0.061 0.000 1.348 285 Y HN 0.660 nan 8.280 nan 0.000 0.646 286 H N 1.385 120.627 119.070 0.287 0.000 2.326 286 H HA -0.151 4.405 4.556 -0.001 0.000 0.301 286 H C 2.356 177.732 175.328 0.079 0.000 1.081 286 H CA 1.670 57.854 56.048 0.227 0.000 1.334 286 H CB -0.455 29.377 29.762 0.116 0.000 1.385 286 H HN 0.809 nan 8.280 nan 0.000 0.504 287 I N 0.781 121.304 120.570 -0.078 0.000 2.161 287 I HA -0.405 3.765 4.170 -0.001 0.000 0.246 287 I C 1.920 177.875 176.117 -0.270 0.000 1.048 287 I CA 1.597 62.672 61.300 -0.377 0.000 1.314 287 I CB -0.291 37.161 38.000 -0.913 0.000 1.014 287 I HN -0.044 nan 8.210 nan 0.000 0.418 288 F N -0.214 119.645 119.950 -0.153 0.000 2.069 288 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 288 F C 2.217 177.805 175.800 -0.353 0.000 1.113 288 F CA 1.898 59.695 58.000 -0.338 0.000 1.214 288 F CB -1.318 37.318 39.000 -0.608 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 0.193 0.000 2.373 289 Y HA -0.125 4.425 4.550 -0.001 0.000 0.293 289 Y C 2.454 178.383 175.900 0.048 0.000 1.129 289 Y CA 0.773 58.929 58.100 0.093 0.000 1.226 289 Y CB -1.070 37.439 38.460 0.083 0.000 1.000 289 Y HN 0.114 nan 8.280 nan 0.000 0.549 290 Q N 0.505 120.399 119.800 0.156 0.000 1.967 290 Q HA -0.174 4.166 4.340 -0.001 0.000 0.202 290 Q C 2.260 178.288 176.000 0.047 0.000 0.985 290 Q CA 2.021 57.871 55.803 0.078 0.000 0.839 290 Q CB -0.340 28.416 28.738 0.030 0.000 0.906 290 Q HN 0.442 nan 8.270 nan 0.000 0.423 291 I N 0.164 120.747 120.570 0.022 0.000 2.185 291 I HA -0.345 3.824 4.170 -0.001 0.000 0.246 291 I C 2.060 178.168 176.117 -0.014 0.000 1.088 291 I CA 1.429 62.727 61.300 -0.003 0.000 1.347 291 I CB -0.225 37.774 38.000 -0.001 0.000 1.041 291 I HN 0.431 nan 8.210 nan 0.000 0.415 292 M N 0.027 119.628 119.600 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 0.038 0.000 1.111 292 M CA 0.732 56.036 55.300 0.006 0.000 1.070 292 M CB -0.226 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 0.289 116.015 115.700 0.042 0.000 2.402 293 S HA -0.074 4.396 4.470 -0.001 0.000 0.229 293 S C 0.642 175.257 174.600 0.025 0.000 1.021 293 S CA 0.892 59.117 58.200 0.043 0.000 0.974 293 S CB -0.366 62.857 63.200 0.040 0.000 0.800 293 S HN 0.705 nan 8.310 nan 0.000 0.484 298 E N 1.160 121.339 120.200 -0.036 0.000 2.097 298 E HA -0.151 4.199 4.350 -0.001 0.000 0.196 298 E C 1.775 178.348 176.600 -0.046 0.000 1.000 298 E CA 1.298 57.679 56.400 -0.032 0.000 0.804 298 E CB -0.638 29.040 29.700 -0.036 0.000 0.740 298 E HN 0.139 nan 8.360 nan 0.000 0.454 299 L N 0.359 121.521 121.223 -0.102 0.000 2.021 299 L HA -0.215 4.125 4.340 -0.001 0.000 0.215 299 L C 2.235 179.063 176.870 -0.069 0.000 1.074 299 L CA 1.528 56.275 54.840 -0.155 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 -0.625 119.920 120.570 -0.042 0.000 2.208 300 I HA -0.305 3.865 4.170 -0.001 0.000 0.245 300 I C 2.068 178.210 176.117 0.041 0.000 1.097 300 I CA 1.570 62.870 61.300 0.000 0.000 1.363 300 I CB -0.386 37.618 38.000 0.007 0.000 1.051 300 I HN 0.341 nan 8.210 nan 0.000 0.413 301 D N -0.544 119.877 120.400 0.035 0.000 2.213 301 D HA -0.111 4.529 4.640 -0.001 0.000 0.205 301 D C 2.118 178.463 176.300 0.075 0.000 0.961 301 D CA 0.912 54.944 54.000 0.054 0.000 0.853 301 D CB -0.061 40.760 40.800 0.036 0.000 0.967 301 D HN 0.364 nan 8.370 nan 0.000 0.496 302 M N 0.354 119.989 119.600 0.059 0.000 2.132 302 M HA -0.148 4.331 4.480 -0.001 0.000 0.263 302 M C 1.332 177.713 176.300 0.135 0.000 1.065 302 M CA 1.311 56.661 55.300 0.084 0.000 1.122 302 M CB 0.178 32.796 32.600 0.032 0.000 1.365 302 M HN -0.112 nan 8.290 nan 0.000 0.411 303 L N 0.255 121.548 121.223 0.116 0.000 2.446 303 L HA 0.241 4.580 4.340 -0.001 0.000 0.219 303 L C 0.688 177.721 176.870 0.272 0.000 1.116 303 L CA 0.814 55.757 54.840 0.171 0.000 0.844 303 L CB -0.385 41.740 42.059 0.110 0.000 0.970 303 L HN 0.469 nan 8.230 nan 0.000 0.457 304 L N -0.522 120.831 121.223 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 0.097 55.084 54.840 0.246 0.000 0.874 304 L CB -2.039 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 0.879 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 -0.447 61.003 61.300 0.250 0.000 0.989 305 I CB 1.783 39.771 38.000 -0.020 0.000 1.314 305 I HN 0.042 nan 8.210 nan 0.000 0.488 306 T N -2.345 112.379 114.554 0.285 0.000 2.876 306 T HA 0.389 4.739 4.350 -0.001 0.000 0.277 306 T C 0.730 175.515 174.700 0.141 0.000 0.997 306 T CA 0.191 62.413 62.100 0.203 0.000 0.966 306 T CB 1.205 70.208 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 0.124 0.000 3.001 307 T HA 0.208 4.557 4.350 -0.001 0.000 0.251 307 T C 0.568 175.340 174.700 0.120 0.000 1.040 307 T CA -0.295 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 2.722 121.522 118.700 0.167 0.000 2.439 308 N HA 0.323 5.063 4.740 -0.001 0.000 0.249 308 N C -2.222 173.437 175.510 0.248 0.000 1.003 308 N CA -2.616 50.554 53.050 0.199 0.000 0.942 308 N CB 1.840 40.445 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 0.276 177.622 177.300 0.076 0.000 1.153 309 P CA 0.928 64.095 63.100 0.111 0.000 0.777 309 P CB -0.041 31.624 31.700 -0.058 0.000 0.794 310 Y N -0.418 119.967 120.300 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 0.008 0.000 1.208 310 Y CA 0.697 58.844 58.100 0.079 0.000 1.299 310 Y CB -0.830 37.659 38.460 0.049 0.000 1.047 310 Y HN -0.040 nan 8.280 nan 0.000 0.506 311 D N -1.653 118.790 120.400 0.071 0.000 2.369 311 D HA 0.028 4.667 4.640 -0.001 0.000 0.211 311 D C -0.756 175.027 176.300 -0.861 0.000 1.077 311 D CA 0.497 54.269 54.000 -0.380 0.000 0.842 311 D CB 0.155 40.646 40.800 -0.515 0.000 0.947 311 D HN 0.227 nan 8.370 nan 0.000 0.509 312 Y N -0.160 120.138 120.300 -0.002 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 -0.006 0.000 1.039 312 Y CA -1.018 57.050 58.100 -0.053 0.000 1.233 312 Y CB 0.187 38.559 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 0.004 0.000 2.330 313 H HA -0.305 4.250 4.556 -0.001 0.000 0.290 313 H C 1.336 176.749 175.328 0.142 0.000 1.111 313 H CA 2.546 58.623 56.048 0.049 0.000 1.226 313 H CB -0.018 29.744 29.762 -0.000 0.000 1.355 313 H HN 0.608 nan 8.280 nan 0.000 0.485 314 Y N -0.343 119.845 120.300 -0.188 0.000 2.193 314 Y HA -0.143 4.407 4.550 -0.001 0.000 0.285 314 Y C 2.731 178.444 175.900 -0.312 0.000 1.166 314 Y CA 1.590 59.525 58.100 -0.275 0.000 1.181 314 Y CB -0.803 37.553 38.460 -0.172 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.162 117.674 119.914 -0.129 0.000 3.319 315 V HA 0.312 4.431 4.120 -0.001 0.000 0.317 315 V C 0.572 176.635 176.094 -0.053 0.000 1.411 315 V CA 0.673 62.842 62.300 -0.218 0.000 1.112 315 V CB -0.198 31.286 31.823 -0.564 0.000 1.031 315 V HN 0.320 nan 8.190 nan 0.000 0.448 316 S N -2.041 113.620 115.700 -0.066 0.000 2.901 316 S HA 0.395 4.865 4.470 -0.001 0.000 0.248 316 S C 0.557 175.122 174.600 -0.058 0.000 1.021 316 S CA -0.140 57.999 58.200 -0.102 0.000 1.090 316 S CB 0.152 63.196 63.200 -0.260 0.000 1.039 316 S HN 0.545 nan 8.310 nan 0.000 0.514 317 E N 0.833 120.972 120.200 -0.102 0.000 2.318 317 E HA 0.150 4.500 4.350 -0.001 0.000 0.193 317 E C 1.464 177.988 176.600 -0.127 0.000 0.998 317 E CA 0.694 57.026 56.400 -0.114 0.000 0.859 317 E CB 0.154 29.707 29.700 -0.245 0.000 0.812 317 E HN 0.723 nan 8.360 nan 0.000 0.492 318 G N 0.519 109.231 108.800 -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 0.074 174.915 174.900 -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 -0.782 119.338 120.200 -0.134 0.000 2.249 319 E HA 0.531 4.880 4.350 -0.001 0.000 0.263 319 E C 0.456 176.896 176.600 -0.266 0.000 0.950 319 E CA -0.587 55.723 56.400 -0.150 0.000 0.827 319 E CB 2.662 32.276 29.700 -0.142 0.000 1.220 319 E HN 0.262 nan 8.360 nan 0.000 0.411 320 I N -0.386 120.014 120.570 -0.283 0.000 3.971 320 I HA 0.022 4.192 4.170 -0.001 0.000 0.303 320 I C 0.963 176.816 176.117 -0.440 0.000 1.233 320 I CA 0.514 61.567 61.300 -0.413 0.000 1.346 320 I CB 1.013 38.887 38.000 -0.209 0.000 1.273 320 I HN 0.285 nan 8.210 nan 0.000 0.448 321 T N 1.119 115.530 114.554 -0.238 0.000 2.863 321 T HA 0.662 5.011 4.350 -0.001 0.000 0.285 321 T C -1.119 173.496 174.700 -0.142 0.000 1.009 321 T CA -0.479 61.518 62.100 -0.171 0.000 0.989 321 T CB 1.543 70.363 68.868 -0.080 0.000 1.004 321 T HN -0.227 nan 8.240 nan 0.000 0.455 322 V N 7.766 127.606 119.914 -0.125 0.000 2.483 322 V HA 0.343 4.463 4.120 -0.001 0.000 0.297 322 V C -1.627 174.426 176.094 -0.069 0.000 1.027 322 V CA -1.668 60.576 62.300 -0.093 0.000 0.855 322 V CB 1.784 33.550 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 1.648 178.924 177.300 -0.039 0.000 1.153 323 P CA 1.701 64.776 63.100 -0.041 0.000 0.853 323 P CB 0.165 31.845 31.700 -0.035 0.000 0.788 324 S N -1.095 114.582 115.700 -0.040 0.000 2.603 324 S HA 0.008 4.478 4.470 -0.001 0.000 0.229 324 S C 0.808 175.382 174.600 -0.042 0.000 0.972 324 S CA -0.055 58.124 58.200 -0.034 0.000 0.935 324 S CB -1.236 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 0.599 121.133 120.570 -0.060 0.000 2.474 325 I HA 0.513 4.683 4.170 -0.001 0.000 0.294 325 I C -1.104 174.974 176.117 -0.065 0.000 1.005 325 I CA -0.907 60.344 61.300 -0.083 0.000 1.113 325 I CB 1.683 39.599 38.000 -0.139 0.000 1.289 325 I HN -0.128 nan 8.210 nan 0.000 0.436 326 D N 4.636 125.003 120.400 -0.056 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 -0.030 0.000 1.119 326 D CA -0.228 53.751 54.000 -0.034 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 1.878 122.264 120.400 -0.023 0.000 2.203 327 D HA -0.219 4.421 4.640 -0.001 0.000 0.199 327 D C 1.518 177.824 176.300 0.010 0.000 0.997 327 D CA 1.096 55.096 54.000 -0.000 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 0.497 120.301 119.800 0.007 0.000 2.079 328 Q HA -0.123 4.217 4.340 -0.001 0.000 0.200 328 Q C 2.038 178.043 176.000 0.008 0.000 0.974 328 Q CA 0.791 56.599 55.803 0.009 0.000 0.840 328 Q CB -0.147 28.595 28.738 0.007 0.000 0.898 328 Q HN 0.434 nan 8.270 nan 0.000 0.430 329 E N 0.535 120.737 120.200 0.003 0.000 2.072 329 E HA -0.147 4.203 4.350 -0.001 0.000 0.190 329 E C 1.993 178.599 176.600 0.011 0.000 0.982 329 E CA 0.602 57.005 56.400 0.005 0.000 0.803 329 E CB 0.311 30.010 29.700 -0.001 0.000 0.755 329 E HN 0.278 nan 8.360 nan 0.000 0.453 330 E N 0.746 120.948 120.200 0.003 0.000 2.077 330 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 330 E C 2.310 178.924 176.600 0.023 0.000 0.989 330 E CA 0.546 56.951 56.400 0.007 0.000 0.800 330 E CB -0.406 29.283 29.700 -0.018 0.000 0.746 330 E HN 0.293 nan 8.360 nan 0.000 0.452 331 L N 0.660 121.899 121.223 0.026 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 0.063 0.000 1.076 331 L CA 1.364 56.232 54.840 0.046 0.000 0.758 331 L CB -0.150 41.932 42.059 0.038 0.000 0.890 331 L HN 0.145 nan 8.230 nan 0.000 0.433 332 M N -1.458 118.169 119.600 0.045 0.000 2.156 332 M HA -0.097 4.383 4.480 -0.001 0.000 0.264 332 M C 2.516 178.847 176.300 0.051 0.000 1.067 332 M CA 1.538 56.868 55.300 0.049 0.000 1.131 332 M CB -1.314 31.306 32.600 0.035 0.000 1.368 332 M HN 0.370 nan 8.290 nan 0.000 0.416 333 A N 0.958 123.803 122.820 0.043 0.000 1.892 333 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 333 A C 2.381 179.996 177.584 0.052 0.000 1.188 333 A CA 2.645 54.709 52.037 0.045 0.000 0.631 333 A CB -1.334 17.692 19.000 0.042 0.000 0.822 333 A HN 0.497 nan 8.150 nan 0.000 0.447 334 T N -0.252 114.332 114.554 0.050 0.000 2.622 334 T HA -0.180 4.170 4.350 -0.001 0.000 0.266 334 T C 1.797 176.526 174.700 0.048 0.000 1.047 334 T CA 1.457 63.584 62.100 0.045 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 1.002 121.451 120.400 0.082 0.000 2.137 335 D HA -0.128 4.512 4.640 -0.001 0.000 0.189 335 D C 2.340 178.684 176.300 0.073 0.000 0.998 335 D CA 1.876 55.944 54.000 0.114 0.000 0.839 335 D CB -0.271 40.619 40.800 0.150 0.000 0.962 335 D HN 0.351 nan 8.370 nan 0.000 0.446 336 S N 0.749 116.488 115.700 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 0.053 0.000 1.035 336 S CA 1.439 59.672 58.200 0.055 0.000 1.014 336 S CB -0.478 62.751 63.200 0.048 0.000 0.836 336 S HN 0.480 nan 8.310 nan 0.000 0.466 337 A N 1.733 124.585 122.820 0.052 0.000 1.902 337 A HA -0.037 4.283 4.320 -0.001 0.000 0.217 337 A C 2.116 179.741 177.584 0.068 0.000 1.181 337 A CA 1.238 53.309 52.037 0.056 0.000 0.623 337 A CB -0.777 18.258 19.000 0.057 0.000 0.818 337 A HN 0.484 nan 8.150 nan 0.000 0.443 338 I N -0.020 120.574 120.570 0.041 0.000 2.127 338 I HA -0.301 3.868 4.170 -0.001 0.000 0.241 338 I C 2.090 178.309 176.117 0.169 0.000 1.075 338 I CA 1.758 63.081 61.300 0.038 0.000 1.334 338 I CB -0.580 37.350 38.000 -0.117 0.000 1.040 338 I HN 0.358 nan 8.210 nan 0.000 0.405 339 D N 1.026 121.485 120.400 0.099 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 0.074 0.000 0.997 339 D CA 1.647 55.702 54.000 0.091 0.000 0.833 339 D CB -0.318 40.521 40.800 0.065 0.000 0.961 339 D HN 0.362 nan 8.370 nan 0.000 0.447 340 I N 0.764 121.369 120.570 0.058 0.000 2.335 340 I HA -0.248 3.922 4.170 -0.001 0.000 0.251 340 I C 2.222 178.349 176.117 0.015 0.000 1.129 340 I CA 0.619 61.938 61.300 0.032 0.000 1.402 340 I CB -0.164 37.854 38.000 0.031 0.000 1.069 340 I HN -0.041 nan 8.210 nan 0.000 0.424 341 L N 0.552 121.807 121.223 0.053 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 -0.129 0.000 1.163 341 L CA 0.880 55.722 54.840 0.005 0.000 0.859 341 L CB -0.604 41.507 42.059 0.087 0.000 0.973 341 L HN 0.505 nan 8.230 nan 0.000 0.451 342 G N -1.238 107.532 108.800 -0.051 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 0.223 175.046 174.900 -0.128 0.000 0.981 342 G CA -0.473 44.560 45.100 -0.112 0.000 0.665 342 G HN 0.161 nan 8.290 nan 0.000 0.528 343 F N 1.540 121.426 119.950 -0.106 0.000 2.506 343 F HA 0.520 5.047 4.527 -0.001 0.000 0.351 343 F C 1.372 177.144 175.800 -0.046 0.000 1.136 343 F CA 0.746 58.680 58.000 -0.109 0.000 1.298 343 F CB 1.170 40.087 39.000 -0.139 0.000 1.145 343 F HN 0.074 nan 8.300 nan 0.000 0.593 344 S N 1.763 117.577 115.700 0.191 0.000 2.576 344 S HA 0.354 4.824 4.470 -0.001 0.000 0.276 344 S C 1.094 175.776 174.600 0.137 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 3.634 126.512 122.820 0.098 0.000 1.908 345 A HA -0.123 4.197 4.320 -0.001 0.000 0.218 345 A C 1.769 179.408 177.584 0.092 0.000 1.181 345 A CA 2.278 54.369 52.037 0.091 0.000 0.627 345 A CB -1.235 17.809 19.000 0.073 0.000 0.818 345 A HN 0.960 nan 8.150 nan 0.000 0.445 346 D N -0.148 120.303 120.400 0.085 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 1.390 55.435 54.000 0.075 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 1.992 124.823 122.820 0.019 0.000 1.883 350 A HA 0.015 4.335 4.320 -0.001 0.000 0.217 350 A C 2.099 179.650 177.584 -0.055 0.000 1.186 350 A CA 1.594 53.608 52.037 -0.039 0.000 0.624 350 A CB -0.885 18.066 19.000 -0.082 0.000 0.822 350 A HN 0.537 nan 8.150 nan 0.000 0.444 351 I N -1.581 118.945 120.570 -0.073 0.000 2.118 351 I HA -0.245 3.925 4.170 -0.001 0.000 0.241 351 I C 1.410 177.477 176.117 -0.082 0.000 1.070 351 I CA 1.192 62.398 61.300 -0.157 0.000 1.327 351 I CB -0.916 36.886 38.000 -0.331 0.000 1.034 351 I HN 0.309 nan 8.210 nan 0.000 0.405 355 T N -0.645 113.960 114.554 0.084 0.000 3.035 355 T HA 0.056 4.405 4.350 -0.001 0.000 0.268 355 T C 1.475 176.318 174.700 0.240 0.000 1.109 355 T CA 1.310 63.511 62.100 0.168 0.000 1.119 355 T CB -0.114 68.823 68.868 0.116 0.000 0.900 355 T HN 0.448 nan 8.240 nan 0.000 0.503 356 G N 0.645 109.547 108.800 0.169 0.000 2.545 356 G HA2 0.259 4.219 3.960 -0.001 0.000 0.212 356 G HA3 0.259 4.219 3.960 -0.001 0.000 0.212 356 G C 1.783 176.793 174.900 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 0.785 123.727 122.820 0.204 0.000 1.892 357 A HA -0.052 4.268 4.320 -0.001 0.000 0.218 357 A C 2.567 180.225 177.584 0.123 0.000 1.188 357 A CA 2.044 54.215 52.037 0.223 0.000 0.631 357 A CB -0.860 18.164 19.000 0.040 0.000 0.822 357 A HN 0.268 nan 8.150 nan 0.000 0.447 358 V N 0.191 120.110 119.914 0.008 0.000 2.324 358 V HA -0.368 3.751 4.120 -0.001 0.000 0.250 358 V C 2.683 178.904 176.094 0.212 0.000 1.060 358 V CA 2.305 64.635 62.300 0.050 0.000 1.042 358 V CB -0.756 31.192 31.823 0.208 0.000 0.650 358 V HN 0.575 nan 8.190 nan 0.000 0.450 359 M N -0.938 118.744 119.600 0.137 0.000 2.086 359 M HA -0.198 4.281 4.480 -0.001 0.000 0.261 359 M C 2.205 178.561 176.300 0.092 0.000 1.067 359 M CA 2.111 57.417 55.300 0.009 0.000 1.116 359 M CB -0.879 31.561 32.600 -0.267 0.000 1.348 359 M HN 0.435 nan 8.290 nan 0.000 0.407 360 H N -1.026 118.198 119.070 0.255 0.000 2.387 360 H HA -0.184 4.371 4.556 -0.001 0.000 0.299 360 H C 1.886 177.355 175.328 0.234 0.000 1.099 360 H CA 1.742 57.949 56.048 0.265 0.000 1.315 360 H CB -0.068 29.865 29.762 0.284 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 0.170 0.000 2.114 361 Y HA -0.170 4.380 4.550 -0.001 0.000 0.282 361 Y C 2.765 178.579 175.900 -0.143 0.000 1.165 361 Y CA 1.401 59.569 58.100 0.113 0.000 1.148 361 Y CB -0.949 37.662 38.460 0.252 0.000 0.972 361 Y HN 0.265 nan 8.280 nan 0.000 0.504 362 G N -0.888 107.595 108.800 -0.528 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 0.914 45.134 45.100 -1.467 0.000 0.774 362 G HN 0.312 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 0.256 175.717 175.510 -0.083 0.000 1.099 363 N CA -0.331 52.654 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 1.397 122.591 121.223 -0.048 0.000 2.513 364 L HA 0.037 4.376 4.340 -0.001 0.000 0.272 364 L C 0.271 177.094 176.870 -0.079 0.000 1.187 364 L CA 0.715 55.498 54.840 -0.096 0.000 0.895 364 L CB 0.177 42.219 42.059 -0.027 0.000 1.147 364 L HN -0.158 nan 8.230 nan 0.000 0.483 365 K N 2.914 123.134 120.400 -0.301 0.000 2.318 365 K HA 0.750 5.070 4.320 -0.001 0.000 0.249 365 K C -1.223 175.019 176.600 -0.596 0.000 0.942 365 K CA -0.285 55.909 56.287 -0.155 0.000 0.808 365 K CB 1.365 33.792 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 1.447 57.555 56.100 0.012 0.000 1.269 371 R CB -0.906 29.401 30.300 0.011 0.000 1.856 371 R HN 0.573 nan 8.270 nan 0.000 0.551 372 E N 0.209 120.419 120.200 0.017 0.000 2.336 372 E HA 0.237 4.587 4.350 -0.001 0.000 0.267 372 E C -0.451 176.156 176.600 0.013 0.000 0.906 372 E CA -0.545 55.867 56.400 0.020 0.000 0.781 372 E CB 1.721 31.442 29.700 0.034 0.000 1.261 372 E HN 0.134 nan 8.360 nan 0.000 0.436 373 E N 0.917 121.122 120.200 0.008 0.000 2.451 373 E HA 0.015 4.365 4.350 -0.001 0.000 0.194 373 E C -0.241 176.347 176.600 -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 30.346 29.700 -0.005 0.000 1.054 373 E HN 0.240 nan 8.360 nan 0.000 0.461 374 Q N 0.162 119.957 119.800 -0.009 0.000 2.221 374 Q HA 0.481 4.821 4.340 -0.001 0.000 0.242 374 Q C -0.951 175.009 176.000 -0.065 0.000 0.940 374 Q CA -0.400 55.380 55.803 -0.038 0.000 0.896 374 Q CB 1.343 30.092 28.738 0.019 0.000 1.226 374 Q HN 0.132 nan 8.270 nan 0.000 0.463 375 A N 2.612 125.340 122.820 -0.154 0.000 2.301 375 A HA 0.511 4.831 4.320 -0.001 0.000 0.298 375 A C -0.995 176.519 177.584 -0.116 0.000 1.185 375 A CA -0.337 51.604 52.037 -0.160 0.000 0.830 375 A CB 0.325 19.133 19.000 -0.320 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.793 123.012 120.200 0.031 0.000 2.272 376 E HA 0.625 4.975 4.350 -0.001 0.000 0.269 376 E C -2.998 173.723 176.600 0.202 0.000 0.877 376 E CA -2.216 54.243 56.400 0.098 0.000 0.755 376 E CB 1.753 31.505 29.700 0.085 0.000 1.192 376 E HN 0.319 nan 8.360 nan 0.000 0.422 377 P HA 0.007 nan 4.420 nan 0.000 0.264 377 P C -0.438 176.816 177.300 -0.078 0.000 1.183 377 P CA 0.119 63.235 63.100 0.027 0.000 0.763 377 P CB 0.510 32.205 31.700 -0.009 0.000 0.807 378 D N 1.677 121.944 120.400 -0.221 0.000 2.460 378 D HA 0.308 4.947 4.640 -0.001 0.000 0.229 378 D C 0.443 176.657 176.300 -0.144 0.000 1.170 378 D CA 0.095 54.012 54.000 -0.138 0.000 0.827 378 D CB -0.496 40.232 40.800 -0.119 0.000 0.973 378 D HN 0.580 nan 8.370 nan 0.000 0.496 379 G N -0.703 108.010 108.800 -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 -0.299 174.527 174.900 -0.123 0.000 1.523 379 G CA -0.314 44.718 45.100 -0.113 0.000 0.972 379 G HN 0.103 nan 8.290 nan 0.000 0.667 380 T N -1.727 112.778 114.554 -0.082 0.000 3.444 380 T HA 0.605 4.955 4.350 -0.001 0.000 0.265 380 T C 0.491 175.154 174.700 -0.061 0.000 1.537 380 T CA 0.049 62.107 62.100 -0.069 0.000 1.530 380 T CB 1.348 70.191 68.868 -0.042 0.000 0.958 380 T HN 0.534 nan 8.240 nan 0.000 0.684 381 E N 0.631 120.787 120.200 -0.073 0.000 2.207 381 E HA 0.065 4.415 4.350 -0.001 0.000 0.197 381 E C 1.559 178.116 176.600 -0.071 0.000 0.914 381 E CA 0.463 56.825 56.400 -0.063 0.000 0.914 381 E CB 0.528 30.192 29.700 -0.061 0.000 0.893 381 E HN 0.393 nan 8.360 nan 0.000 0.479 382 V N 1.248 121.115 119.914 -0.078 0.000 2.599 382 V HA -0.023 4.097 4.120 -0.001 0.000 0.245 382 V C 2.349 178.396 176.094 -0.079 0.000 1.046 382 V CA 1.359 63.611 62.300 -0.080 0.000 1.065 382 V CB -0.229 31.575 31.823 -0.032 0.000 0.703 382 V HN 0.267 nan 8.190 nan 0.000 0.464 383 A N -0.302 122.475 122.820 -0.073 0.000 1.933 383 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 383 A C 1.257 178.837 177.584 -0.006 0.000 1.175 383 A CA 1.275 53.286 52.037 -0.043 0.000 0.628 383 A CB -0.494 18.471 19.000 -0.057 0.000 0.814 383 A HN 0.507 nan 8.150 nan 0.000 0.444 387 A N -0.501 122.419 122.820 0.168 0.000 1.883 387 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 387 A C 2.004 179.684 177.584 0.161 0.000 1.186 387 A CA 2.156 54.288 52.037 0.159 0.000 0.624 387 A CB -0.916 18.157 19.000 0.121 0.000 0.822 387 A HN 1.367 nan 8.150 nan 0.000 0.444 388 Y N -0.246 120.080 120.300 0.043 0.000 2.200 388 Y HA -0.087 4.463 4.550 -0.001 0.000 0.290 388 Y C 1.828 177.755 175.900 0.043 0.000 1.137 388 Y CA 1.450 59.570 58.100 0.034 0.000 1.163 388 Y CB -0.325 38.145 38.460 0.017 0.000 0.988 388 Y HN 0.162 nan 8.280 nan 0.000 0.518 389 L N 0.218 121.393 121.223 -0.080 0.000 2.191 389 L HA -0.166 4.173 4.340 -0.001 0.000 0.212 389 L C 2.028 178.821 176.870 -0.128 0.000 1.103 389 L CA 1.702 56.450 54.840 -0.154 0.000 0.769 389 L CB -0.773 41.331 42.059 0.075 0.000 0.908 389 L HN 0.406 nan 8.230 nan 0.000 0.438 390 M N -2.025 117.546 119.600 -0.049 0.000 2.441 390 M HA 0.253 4.732 4.480 -0.001 0.000 0.244 390 M C 1.047 177.314 176.300 -0.055 0.000 1.122 390 M CA 0.584 55.851 55.300 -0.055 0.000 1.041 390 M CB 0.337 32.933 32.600 -0.007 0.000 1.438 390 M HN 0.298 nan 8.290 nan 0.000 0.484 391 G N 1.969 110.731 108.800 -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 -0.657 174.262 174.900 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 -0.354 120.908 121.223 0.067 0.000 2.260 392 L HA 0.748 5.088 4.340 -0.001 0.000 0.265 392 L C 0.187 177.113 176.870 0.092 0.000 1.015 392 L CA -1.580 53.318 54.840 0.095 0.000 0.826 392 L CB 1.551 43.693 42.059 0.138 0.000 1.373 392 L HN 0.236 nan 8.230 nan 0.000 0.450 393 N N -0.724 118.025 118.700 0.082 0.000 2.443 393 N HA 0.177 4.916 4.740 -0.001 0.000 0.269 393 N C 0.380 175.928 175.510 0.065 0.000 0.985 393 N CA 0.022 53.113 53.050 0.069 0.000 0.921 393 N CB 1.707 40.226 38.487 0.052 0.000 1.195 393 N HN 0.514 nan 8.380 nan 0.000 0.492 394 S N 2.619 118.356 115.700 0.060 0.000 2.378 394 S HA -0.261 4.209 4.470 -0.001 0.000 0.229 394 S C 1.744 176.368 174.600 0.041 0.000 1.052 394 S CA 2.217 60.445 58.200 0.047 0.000 1.084 394 S CB -0.150 63.067 63.200 0.029 0.000 0.950 394 S HN 0.780 nan 8.310 nan 0.000 0.440 395 A N 1.032 123.875 122.820 0.038 0.000 1.832 395 A HA -0.127 4.192 4.320 -0.001 0.000 0.214 395 A C 1.958 179.570 177.584 0.046 0.000 1.200 395 A CA 1.595 53.656 52.037 0.040 0.000 0.610 395 A CB -0.874 18.146 19.000 0.033 0.000 0.842 395 A HN 0.572 nan 8.150 nan 0.000 0.444 396 E N -0.797 119.426 120.200 0.040 0.000 2.147 396 E HA -0.259 4.091 4.350 -0.001 0.000 0.199 396 E C 1.936 178.554 176.600 0.032 0.000 1.005 396 E CA 1.485 57.906 56.400 0.034 0.000 0.810 396 E CB -0.326 29.392 29.700 0.029 0.000 0.736 396 E HN 0.525 nan 8.360 nan 0.000 0.460 397 L N 0.510 121.757 121.223 0.039 0.000 2.005 397 L HA -0.167 4.172 4.340 -0.001 0.000 0.207 397 L C 2.063 178.954 176.870 0.035 0.000 1.072 397 L CA 1.497 56.358 54.840 0.036 0.000 0.744 397 L CB -0.346 41.750 42.059 0.061 0.000 0.895 397 L HN 0.059 nan 8.230 nan 0.000 0.433 398 L N -0.224 121.033 121.223 0.057 0.000 2.275 398 L HA -0.121 4.219 4.340 -0.001 0.000 0.215 398 L C 2.456 179.378 176.870 0.086 0.000 1.119 398 L CA 1.379 56.276 54.840 0.094 0.000 0.790 398 L CB -1.093 41.025 42.059 0.098 0.000 0.919 398 L HN 0.319 nan 8.230 nan 0.000 0.443 399 K N -0.612 119.839 120.400 0.085 0.000 1.980 399 K HA -0.054 4.266 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 1.187 57.556 56.287 0.136 0.000 0.938 399 K CB -0.229 32.343 32.500 0.120 0.000 0.724 399 K HN 0.239 nan 8.250 nan 0.000 0.438 400 A N 1.681 124.520 122.820 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 -1.003 120.173 121.223 -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 1.925 56.676 54.840 -0.148 0.000 0.745 401 L CB -0.880 41.118 42.059 -0.103 0.000 0.894 401 L HN 0.543 nan 8.230 nan 0.000 0.432 402 C N -2.210 116.922 119.300 -0.280 0.000 2.505 402 C HA -0.027 4.433 4.460 -0.001 0.000 0.279 402 C C 0.869 175.409 174.990 -0.751 0.000 1.316 402 C CA -0.129 58.562 59.018 -0.545 0.000 1.720 402 C CB -0.621 26.784 27.740 -0.559 0.000 2.050 402 C HN 0.406 nan 8.230 nan 0.000 0.493 403 Y N 0.888 121.149 120.300 -0.065 0.000 2.553 403 Y HA 0.307 4.857 4.550 -0.000 0.000 0.369 403 Y C -2.319 173.549 175.900 -0.054 0.000 0.964 403 Y CA -3.202 54.867 58.100 -0.053 0.000 1.156 403 Y CB -0.599 37.839 38.460 -0.035 0.000 1.218 403 Y HN 0.199 nan 8.280 nan 0.000 0.630 404 P HA -0.089 nan 4.420 nan 0.000 0.256 404 P C -0.119 177.190 177.300 0.015 0.000 1.173 404 P CA 0.323 63.413 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 3.616 124.121 120.500 0.009 0.000 2.230 405 R HA 0.401 4.741 4.340 -0.001 0.000 0.337 405 R C -0.638 175.659 176.300 -0.005 0.000 1.063 405 R CA -0.685 55.420 56.100 0.009 0.000 0.935 405 R CB 0.090 30.396 30.300 0.010 0.000 1.121 405 R HN 0.101 nan 8.270 nan 0.000 0.486 406 V N 2.322 122.235 119.914 -0.002 0.000 3.596 406 V HA 0.502 4.622 4.120 -0.001 0.000 0.288 406 V C 1.063 177.155 176.094 -0.003 0.000 1.021 406 V CA -0.172 62.126 62.300 -0.005 0.000 1.020 406 V CB 1.562 33.383 31.823 -0.002 0.000 1.243 406 V HN 0.947 nan 8.190 nan 0.000 0.433 407 G N 0.072 108.871 108.800 -0.002 0.000 4.566 407 G HA2 0.446 4.405 3.960 -0.001 0.000 0.276 407 G HA3 0.446 4.405 3.960 -0.001 0.000 0.276 407 G C -0.972 173.927 174.900 -0.001 0.000 1.248 407 G CA -0.114 44.985 45.100 -0.001 0.000 0.858 407 G HN 0.400 nan 8.290 nan 0.000 0.549 408 V N 1.670 121.583 119.914 -0.001 0.000 2.389 408 V HA 0.689 4.808 4.120 -0.001 0.000 0.264 408 V C 1.219 177.311 176.094 -0.004 0.000 1.049 408 V CA 1.575 63.874 62.300 -0.002 0.000 0.932 408 V CB 0.183 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 5.438 114.234 108.800 -0.005 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 0.276 175.173 174.900 -0.006 0.000 1.285 409 G CA 0.144 45.240 45.100 -0.006 0.000 1.055 409 G HN 0.820 nan 8.290 nan 0.000 0.579 410 N N 2.012 120.708 118.700 -0.005 0.000 2.170 410 N HA 0.196 4.935 4.740 -0.001 0.000 0.222 410 N C 0.580 176.087 175.510 -0.004 0.000 1.218 410 N CA 1.016 54.063 53.050 -0.005 0.000 0.889 410 N CB 0.757 39.241 38.487 -0.005 0.000 1.083 410 N HN 0.966 nan 8.380 nan 0.000 0.520 411 E N 0.347 120.545 120.200 -0.004 0.000 2.573 411 E HA 0.737 5.086 4.350 -0.001 0.000 0.218 411 E C -1.119 175.479 176.600 -0.003 0.000 0.777 411 E CA -1.308 55.090 56.400 -0.004 0.000 0.970 411 E CB 1.170 30.867 29.700 -0.004 0.000 1.666 411 E HN -0.045 nan 8.360 nan 0.000 0.384 412 A N 0.934 123.752 122.820 -0.003 0.000 2.466 412 A HA 0.458 4.778 4.320 -0.001 0.000 0.291 412 A C -0.893 176.689 177.584 -0.003 0.000 1.234 412 A CA -0.700 51.336 52.037 -0.003 0.000 0.752 412 A CB 0.684 19.682 19.000 -0.004 0.000 1.153 412 A HN 0.252 nan 8.150 nan 0.000 0.458 413 V N 3.056 122.970 119.914 -0.001 0.000 2.385 413 V HA 0.286 4.406 4.120 -0.001 0.000 0.269 413 V C 0.968 177.065 176.094 0.006 0.000 1.043 413 V CA -0.095 62.206 62.300 0.001 0.000 0.906 413 V CB 0.714 32.538 31.823 0.002 0.000 0.995 413 V HN 0.880 nan 8.190 nan 0.000 0.467 417 E N 0.096 120.189 120.200 -0.178 0.000 2.281 417 E HA 0.667 5.017 4.350 -0.001 0.000 0.262 417 E C -0.194 176.288 176.600 -0.197 0.000 0.933 417 E CA -0.732 55.558 56.400 -0.182 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 0.242 114.699 114.554 -0.162 0.000 2.881 418 T HA 0.094 4.444 4.350 -0.001 0.000 0.278 418 T C 1.594 176.166 174.700 -0.213 0.000 0.982 418 T CA -0.704 61.308 62.100 -0.146 0.000 0.989 418 T CB 1.247 70.060 68.868 -0.092 0.000 1.058 418 T HN 0.196 nan 8.240 nan 0.000 0.529 419 V N 1.214 121.017 119.914 -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 2.046 64.189 62.300 -0.261 0.000 1.018 419 V CB -1.026 30.712 31.823 -0.142 0.000 0.641 419 V HN 0.939 nan 8.190 nan 0.000 0.445 420 S N -0.468 115.161 115.700 -0.117 0.000 2.419 420 S HA -0.227 4.243 4.470 -0.001 0.000 0.235 420 S C 1.856 176.425 174.600 -0.052 0.000 1.019 420 S CA 1.610 59.792 58.200 -0.030 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 0.428 120.560 120.200 -0.114 0.000 2.158 421 E HA -0.047 4.303 4.350 -0.001 0.000 0.191 421 E C 2.021 178.526 176.600 -0.159 0.000 0.982 421 E CA 0.861 57.193 56.400 -0.112 0.000 0.823 421 E CB -0.127 29.500 29.700 -0.122 0.000 0.766 421 E HN 0.353 nan 8.360 nan 0.000 0.468 422 V N 1.366 121.103 119.914 -0.296 0.000 2.255 422 V HA -0.211 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 1.666 63.710 62.300 -0.427 0.000 1.008 422 V CB -0.756 30.504 31.823 -0.938 0.000 0.645 422 V HN 0.253 nan 8.190 nan 0.000 0.449 423 H N 0.956 119.956 119.070 -0.117 0.000 2.394 423 H HA -0.172 4.384 4.556 -0.001 0.000 0.297 423 H C 2.269 177.648 175.328 0.085 0.000 1.113 423 H CA 2.009 58.092 56.048 0.059 0.000 1.277 423 H CB -0.647 29.177 29.762 0.104 0.000 1.370 423 H HN 0.578 nan 8.280 nan 0.000 0.506 424 N N -0.195 118.595 118.700 0.149 0.000 2.216 424 N HA -0.115 4.625 4.740 -0.001 0.000 0.183 424 N C 2.125 177.685 175.510 0.082 0.000 1.017 424 N CA 1.116 54.230 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 0.612 116.331 115.700 0.032 0.000 2.383 425 S HA -0.061 4.408 4.470 -0.001 0.000 0.227 425 S C 2.117 176.775 174.600 0.097 0.000 1.026 425 S CA 0.637 58.853 58.200 0.027 0.000 0.981 425 S CB -0.701 62.477 63.200 -0.036 0.000 0.818 425 S HN 0.015 nan 8.310 nan 0.000 0.472 426 V N 2.730 122.722 119.914 0.130 0.000 2.233 426 V HA -0.124 3.995 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 2.079 64.526 62.300 0.246 0.000 1.010 426 V CB -1.784 30.202 31.823 0.272 0.000 0.637 426 V HN 0.653 nan 8.190 nan 0.000 0.444 427 G N -0.603 108.396 108.800 0.332 0.000 2.469 427 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.220 427 G HA3 -0.264 3.696 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 0.660 nan 8.290 nan 0.000 0.562 428 A N 0.295 123.204 122.820 0.147 0.000 1.930 428 A HA 0.169 4.489 4.320 -0.001 0.000 0.217 428 A C 2.420 180.105 177.584 0.168 0.000 1.175 428 A CA 1.242 53.350 52.037 0.118 0.000 0.627 428 A CB -0.276 18.774 19.000 0.083 0.000 0.815 428 A HN 0.365 nan 8.150 nan 0.000 0.443 429 L N -0.433 120.932 121.223 0.237 0.000 2.044 429 L HA 0.047 4.387 4.340 -0.001 0.000 0.205 429 L C 2.048 179.108 176.870 0.317 0.000 1.075 429 L CA 0.383 55.413 54.840 0.316 0.000 0.747 429 L CB -0.936 41.366 42.059 0.405 0.000 0.903 429 L HN 0.383 nan 8.230 nan 0.000 0.435 433 V N 0.183 120.271 119.914 0.289 0.000 2.287 433 V HA -0.291 3.828 4.120 -0.001 0.000 0.248 433 V C 2.221 178.352 176.094 0.062 0.000 1.053 433 V CA 2.671 65.081 62.300 0.183 0.000 1.027 433 V CB -1.095 30.816 31.823 0.146 0.000 0.646 433 V HN 0.625 nan 8.190 nan 0.000 0.447 434 Y N 1.240 121.541 120.300 0.002 0.000 2.081 434 Y HA -0.204 4.345 4.550 -0.001 0.000 0.280 434 Y C 1.831 177.703 175.900 -0.046 0.000 1.163 434 Y CA 1.876 59.965 58.100 -0.018 0.000 1.135 434 Y CB -0.280 38.184 38.460 0.005 0.000 0.970 434 Y HN 0.427 nan 8.280 nan 0.000 0.498 438 F N 2.295 121.995 119.950 -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 2.048 59.772 58.000 -0.460 0.000 1.282 438 F CB -0.056 38.676 39.000 -0.447 0.000 1.010 438 F HN 0.251 nan 8.300 nan 0.000 0.485 439 L N -0.775 120.431 121.223 -0.030 0.000 2.017 439 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 439 L C 2.077 178.880 176.870 -0.113 0.000 1.073 439 L CA 1.764 56.555 54.840 -0.083 0.000 0.745 439 L CB -1.944 40.121 42.059 0.010 0.000 0.894 439 L HN 0.502 nan 8.230 nan 0.000 0.432 440 W N 0.196 121.356 121.300 -0.234 0.000 2.333 440 W HA -0.267 4.392 4.660 -0.000 0.000 0.316 440 W C 2.677 179.079 176.519 -0.195 0.000 1.215 440 W CA 1.799 59.029 57.345 -0.193 0.000 1.278 440 W CB -0.418 28.936 29.460 -0.176 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.231 119.162 119.600 -0.345 0.000 2.089 441 M HA -0.301 4.178 4.480 -0.001 0.000 0.257 441 M C 1.874 177.912 176.300 -0.436 0.000 1.071 441 M CA 2.336 57.334 55.300 -0.503 0.000 1.096 441 M CB -0.867 31.373 32.600 -0.601 0.000 1.330 441 M HN -0.065 nan 8.290 nan 0.000 0.403 442 V N 0.468 120.077 119.914 -0.509 0.000 2.255 442 V HA -0.311 3.808 4.120 -0.001 0.000 0.247 442 V C 2.125 178.021 176.094 -0.331 0.000 1.051 442 V CA 2.053 64.097 62.300 -0.426 0.000 1.018 442 V CB -0.555 31.000 31.823 -0.446 0.000 0.641 442 V HN 0.427 nan 8.190 nan 0.000 0.445 443 I N -0.689 119.698 120.570 -0.306 0.000 2.118 443 I HA -0.264 3.906 4.170 -0.001 0.000 0.241 443 I C 2.788 178.694 176.117 -0.352 0.000 1.070 443 I CA 1.585 62.728 61.300 -0.262 0.000 1.327 443 I CB -0.432 37.457 38.000 -0.185 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 -0.533 0.000 2.105 444 R HA -0.134 4.206 4.340 -0.001 0.000 0.239 444 R C 2.200 178.124 176.300 -0.627 0.000 1.135 444 R CA 1.477 57.163 56.100 -0.689 0.000 0.967 444 R CB -0.715 28.913 30.300 -1.120 0.000 0.861 444 R HN 0.445 nan 8.270 nan 0.000 0.442 445 I N 1.222 121.501 120.570 -0.485 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 -0.282 0.000 1.070 445 I CA 1.227 62.318 61.300 -0.348 0.000 1.332 445 I CB -0.550 37.316 38.000 -0.223 0.000 1.044 445 I HN 0.130 nan 8.210 nan 0.000 0.402 446 N N 1.099 119.652 118.700 -0.245 0.000 2.133 446 N HA -0.276 4.463 4.740 -0.001 0.000 0.193 446 N C 1.839 177.228 175.510 -0.203 0.000 1.012 446 N CA 1.863 54.794 53.050 -0.198 0.000 0.871 446 N CB -0.462 37.916 38.487 -0.181 0.000 1.011 446 N HN 0.600 nan 8.380 nan 0.000 0.435 447 Q N 0.081 119.734 119.800 -0.244 0.000 2.124 447 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 447 Q C 1.662 177.534 176.000 -0.213 0.000 0.977 447 Q CA 1.326 56.994 55.803 -0.225 0.000 0.850 447 Q CB -0.292 28.324 28.738 -0.203 0.000 0.901 447 Q HN 0.200 nan 8.270 nan 0.000 0.429 448 Q N 0.354 120.006 119.800 -0.248 0.000 2.137 448 Q HA 0.037 4.376 4.340 -0.001 0.000 0.198 448 Q C 1.428 177.332 176.000 -0.160 0.000 0.960 448 Q CA 0.714 56.392 55.803 -0.208 0.000 0.847 448 Q CB 0.107 28.704 28.738 -0.236 0.000 0.915 448 Q HN 0.298 nan 8.270 nan 0.000 0.448 449 L N 1.198 122.324 121.223 -0.161 0.000 2.749 449 L HA 0.021 4.361 4.340 -0.001 0.000 0.245 449 L C -0.311 176.479 176.870 -0.134 0.000 1.156 449 L CA 0.842 55.603 54.840 -0.132 0.000 0.890 449 L CB -0.772 41.212 42.059 -0.125 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 -0.141 0.000 2.280 450 D HA 0.384 5.024 4.640 -0.001 0.000 0.236 450 D C 0.186 176.414 176.300 -0.120 0.000 1.082 450 D CA -0.021 53.894 54.000 -0.142 0.000 0.834 450 D CB 1.145 41.861 40.800 -0.141 0.000 1.100 450 D HN 0.157 nan 8.370 nan 0.000 0.486 451 T N -0.041 114.442 114.554 -0.118 0.000 2.940 451 T HA 0.442 4.792 4.350 -0.001 0.000 0.288 451 T C 1.033 175.678 174.700 -0.091 0.000 1.045 451 T CA -0.764 61.280 62.100 -0.093 0.000 1.018 451 T CB 1.953 70.774 68.868 -0.077 0.000 1.151 451 T HN 0.153 nan 8.240 nan 0.000 0.529 452 K N -0.092 120.266 120.400 -0.071 0.000 2.211 452 K HA 0.065 4.384 4.320 -0.001 0.000 0.201 452 K C 0.752 177.317 176.600 -0.058 0.000 1.052 452 K CA 0.309 56.558 56.287 -0.063 0.000 0.973 452 K CB 0.021 32.490 32.500 -0.050 0.000 0.766 452 K HN 0.655 nan 8.250 nan 0.000 0.466 453 Q N 2.183 121.953 119.800 -0.050 0.000 2.352 453 Q HA -0.024 4.315 4.340 -0.001 0.000 0.326 453 Q C -2.332 173.640 176.000 -0.047 0.000 1.135 453 Q CA -1.111 54.669 55.803 -0.040 0.000 1.000 453 Q CB -0.638 28.083 28.738 -0.027 0.000 1.237 453 Q HN 0.020 nan 8.270 nan 0.000 0.409 454 P HA 0.089 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 -0.010 63.063 63.100 -0.045 0.000 0.784 454 P CB 0.620 32.296 31.700 -0.039 0.000 0.923 455 R N 1.305 121.775 120.500 -0.050 0.000 2.561 455 R HA 0.377 4.716 4.340 -0.001 0.000 0.297 455 R C 0.657 176.911 176.300 -0.077 0.000 0.969 455 R CA -0.611 55.475 56.100 -0.024 0.000 0.879 455 R CB 1.942 32.251 30.300 0.015 0.000 1.178 455 R HN 0.400 nan 8.270 nan 0.000 0.445 456 Q N 1.036 120.692 119.800 -0.240 0.000 2.431 456 Q HA 0.181 4.520 4.340 -0.001 0.000 0.244 456 Q C -0.565 175.104 176.000 -0.551 0.000 0.880 456 Q CA 0.735 56.213 55.803 -0.541 0.000 0.954 456 Q CB 0.889 29.048 28.738 -0.965 0.000 1.105 456 Q HN 0.552 nan 8.270 nan 0.000 0.558 457 Y N -1.009 119.405 120.300 0.191 0.000 2.670 457 Y HA 0.507 5.057 4.550 -0.001 0.000 0.334 457 Y C -0.664 175.375 175.900 0.230 0.000 1.185 457 Y CA -1.999 56.193 58.100 0.154 0.000 1.053 457 Y CB 0.773 39.253 38.460 0.034 0.000 1.298 457 Y HN -0.038 nan 8.280 nan 0.000 0.459 458 F N -0.828 119.238 119.950 0.194 0.000 2.664 458 F HA 0.910 5.437 4.527 -0.001 0.000 0.317 458 F C -1.899 173.923 175.800 0.037 0.000 1.108 458 F CA -1.851 56.119 58.000 -0.050 0.000 0.957 458 F CB 1.642 40.255 39.000 -0.645 0.000 1.365 458 F HN 0.354 nan 8.300 nan 0.000 0.475 459 I N 1.821 122.494 120.570 0.172 0.000 2.439 459 I HA 0.495 4.664 4.170 -0.001 0.000 0.283 459 I C 0.011 176.193 176.117 0.108 0.000 1.023 459 I CA -0.732 60.589 61.300 0.036 0.000 1.100 459 I CB 1.676 39.640 38.000 -0.061 0.000 1.238 459 I HN 0.982 nan 8.210 nan 0.000 0.445 460 G N 5.791 114.706 108.800 0.191 0.000 2.353 460 G HA2 0.519 4.479 3.960 -0.001 0.000 0.284 460 G HA3 0.519 4.479 3.960 -0.001 0.000 0.284 460 G C -0.659 174.328 174.900 0.146 0.000 1.172 460 G CA -0.226 44.931 45.100 0.096 0.000 0.854 460 G HN 0.327 nan 8.290 nan 0.000 0.485 461 V N 3.944 123.877 119.914 0.032 0.000 2.326 461 V HA 0.319 4.438 4.120 -0.001 0.000 0.281 461 V C -0.168 176.108 176.094 0.304 0.000 1.015 461 V CA -0.689 61.715 62.300 0.172 0.000 0.823 461 V CB 1.034 32.946 31.823 0.147 0.000 1.009 461 V HN 0.705 nan 8.190 nan 0.000 0.436 462 L N 4.512 125.987 121.223 0.419 0.000 2.282 462 L HA 0.764 5.104 4.340 -0.001 0.000 0.288 462 L C -0.628 176.403 176.870 0.268 0.000 1.033 462 L CA 0.346 55.463 54.840 0.461 0.000 0.807 462 L CB 1.455 43.725 42.059 0.351 0.000 1.209 462 L HN 0.644 nan 8.230 nan 0.000 0.423 463 D N 6.362 126.916 120.400 0.256 0.000 2.549 463 D HA 0.564 5.204 4.640 -0.001 0.000 0.251 463 D C -0.999 175.397 176.300 0.161 0.000 1.153 463 D CA -0.099 54.003 54.000 0.171 0.000 0.861 463 D CB 1.061 41.943 40.800 0.137 0.000 1.207 463 D HN 0.616 nan 8.370 nan 0.000 0.543 464 I N 0.934 121.576 120.570 0.119 0.000 3.181 464 I HA 0.517 4.686 4.170 -0.001 0.000 0.311 464 I C -0.222 175.944 176.117 0.081 0.000 1.287 464 I CA -1.330 60.034 61.300 0.106 0.000 0.958 464 I CB 1.907 39.959 38.000 0.088 0.000 1.294 464 I HN 0.428 nan 8.210 nan 0.000 0.467 465 A N 1.025 123.892 122.820 0.077 0.000 2.304 465 A HA 0.782 5.102 4.320 -0.001 0.000 0.271 465 A C 0.082 177.715 177.584 0.081 0.000 1.091 465 A CA -0.007 52.072 52.037 0.071 0.000 0.812 465 A CB 0.580 19.622 19.000 0.070 0.000 1.056 465 A HN 0.863 nan 8.150 nan 0.000 0.489 466 G N -1.002 107.845 108.800 0.078 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 -0.529 174.437 174.900 0.110 0.000 1.161 466 G CA -0.716 44.450 45.100 0.110 0.000 0.935 466 G HN 0.624 nan 8.290 nan 0.000 0.488 467 F N 0.965 120.897 119.950 -0.030 0.000 2.473 467 F HA 0.045 4.572 4.527 -0.001 0.000 0.405 467 F C 0.791 176.482 175.800 -0.182 0.000 0.988 467 F CA 0.739 58.668 58.000 -0.118 0.000 1.096 467 F CB 0.188 39.103 39.000 -0.143 0.000 0.944 467 F HN 0.314 nan 8.300 nan 0.000 0.530 468 E N 6.321 126.346 120.200 -0.292 0.000 2.222 468 E HA 0.468 4.817 4.350 -0.001 0.000 0.267 468 E C -0.889 175.186 176.600 -0.874 0.000 0.884 468 E CA -0.940 55.158 56.400 -0.504 0.000 0.764 468 E CB 2.083 31.465 29.700 -0.531 0.000 1.169 468 E HN 0.466 nan 8.360 nan 0.000 0.413 469 I N 3.407 123.511 120.570 -0.777 0.000 2.378 469 I HA 0.382 4.552 4.170 -0.001 0.000 0.291 469 I C -0.916 174.780 176.117 -0.702 0.000 0.992 469 I CA -0.527 60.388 61.300 -0.641 0.000 1.154 469 I CB 0.680 38.550 38.000 -0.216 0.000 1.315 469 I HN 0.342 nan 8.210 nan 0.000 0.448 470 F N 2.745 122.633 119.950 -0.103 0.000 2.593 470 F HA 0.328 4.855 4.527 -0.001 0.000 0.320 470 F C 1.341 177.121 175.800 -0.034 0.000 1.060 470 F CA -1.021 56.954 58.000 -0.042 0.000 0.940 470 F CB 0.826 39.830 39.000 0.008 0.000 1.268 470 F HN 0.476 nan 8.300 nan 0.000 0.475 471 D N 0.236 120.780 120.400 0.240 0.000 2.218 471 D HA -0.194 4.446 4.640 -0.001 0.000 0.204 471 D C 0.142 176.560 176.300 0.197 0.000 0.976 471 D CA 1.411 55.501 54.000 0.150 0.000 0.853 471 D CB -0.013 40.867 40.800 0.133 0.000 0.939 471 D HN 0.219 nan 8.370 nan 0.000 0.481 472 F N 2.107 122.119 119.950 0.103 0.000 2.382 472 F HA 0.309 4.836 4.527 -0.001 0.000 0.361 472 F C -0.733 175.148 175.800 0.135 0.000 1.109 472 F CA -1.071 56.980 58.000 0.085 0.000 1.031 472 F CB 0.723 39.753 39.000 0.051 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 0.228 4.968 4.740 -0.001 0.000 0.265 473 N C -0.814 174.594 175.510 -0.170 0.000 0.975 473 N CA -0.250 52.676 53.050 -0.207 0.000 0.928 473 N CB 2.043 40.305 38.487 -0.375 0.000 1.160 473 N HN 0.470 nan 8.380 nan 0.000 0.495 474 S N 0.686 116.402 115.700 0.026 0.000 2.776 474 S HA 0.352 4.822 4.470 -0.001 0.000 0.306 474 S C 1.077 175.800 174.600 0.205 0.000 1.114 474 S CA -0.592 57.780 58.200 0.286 0.000 0.973 474 S CB 0.533 63.926 63.200 0.323 0.000 1.250 474 S HN 0.449 nan 8.310 nan 0.000 0.549 475 F N 2.307 121.943 119.950 -0.523 0.000 2.085 475 F HA -0.212 4.315 4.527 -0.001 0.000 0.299 475 F C 1.858 177.369 175.800 -0.482 0.000 1.096 475 F CA 2.777 60.042 58.000 -1.225 0.000 1.227 475 F CB -0.795 37.326 39.000 -1.465 0.000 0.983 475 F HN 0.678 nan 8.300 nan 0.000 0.482 476 E N 0.024 120.006 120.200 -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 -0.233 0.000 0.991 476 E CA 1.641 57.813 56.400 -0.380 0.000 0.810 476 E CB -0.515 29.096 29.700 -0.148 0.000 0.742 476 E HN 0.514 nan 8.360 nan 0.000 0.466 477 Q N 0.038 119.808 119.800 -0.050 0.000 2.079 477 Q HA -0.066 4.273 4.340 -0.001 0.000 0.200 477 Q C 2.074 178.120 176.000 0.077 0.000 0.974 477 Q CA 0.820 56.655 55.803 0.053 0.000 0.840 477 Q CB -0.294 28.533 28.738 0.149 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.003 121.287 121.223 0.101 0.000 1.989 478 L HA -0.229 4.111 4.340 -0.001 0.000 0.211 478 L C 1.923 178.849 176.870 0.093 0.000 1.071 478 L CA 1.890 56.731 54.840 0.000 0.000 0.749 478 L CB -0.873 41.051 42.059 -0.224 0.000 0.890 478 L HN 0.341 nan 8.230 nan 0.000 0.431 479 C N -0.565 118.676 119.300 -0.099 0.000 2.398 479 C HA -0.170 4.289 4.460 -0.001 0.000 0.276 479 C C 2.678 177.769 174.990 0.168 0.000 1.222 479 C CA 0.980 59.972 59.018 -0.042 0.000 1.746 479 C CB -1.217 25.964 27.740 -0.932 0.000 2.039 479 C HN 0.641 nan 8.230 nan 0.000 0.470 480 I N 1.427 122.001 120.570 0.007 0.000 2.233 480 I HA -0.151 4.019 4.170 -0.001 0.000 0.243 480 I C 2.290 178.472 176.117 0.109 0.000 1.093 480 I CA 1.549 62.888 61.300 0.065 0.000 1.380 480 I CB -0.461 37.538 38.000 -0.001 0.000 1.067 480 I HN 0.400 nan 8.210 nan 0.000 0.413 481 N N -0.156 118.553 118.700 0.014 0.000 2.104 481 N HA -0.268 4.472 4.740 -0.001 0.000 0.190 481 N C 1.944 177.651 175.510 0.329 0.000 1.024 481 N CA 1.347 54.354 53.050 -0.072 0.000 0.853 481 N CB -0.329 37.875 38.487 -0.471 0.000 1.008 481 N HN 0.239 nan 8.380 nan 0.000 0.424 482 F N 2.501 122.600 119.950 0.249 0.000 2.161 482 F HA -0.151 4.375 4.527 -0.001 0.000 0.300 482 F C 2.254 178.218 175.800 0.275 0.000 1.089 482 F CA 1.241 59.429 58.000 0.314 0.000 1.282 482 F CB -0.831 38.380 39.000 0.352 0.000 1.010 482 F HN -0.082 nan 8.300 nan 0.000 0.485 483 T N 0.646 115.286 114.554 0.143 0.000 2.708 483 T HA -0.187 4.163 4.350 -0.001 0.000 0.266 483 T C 1.864 176.567 174.700 0.004 0.000 1.037 483 T CA 1.548 63.612 62.100 -0.060 0.000 1.146 483 T CB -0.392 68.522 68.868 0.077 0.000 0.865 483 T HN 0.291 nan 8.240 nan 0.000 0.435 484 N N 0.841 119.641 118.700 0.167 0.000 2.142 484 N HA -0.016 4.723 4.740 -0.001 0.000 0.186 484 N C 1.151 176.895 175.510 0.389 0.000 1.023 484 N CA 0.624 53.837 53.050 0.273 0.000 0.852 484 N CB -0.177 38.528 38.487 0.363 0.000 0.998 484 N HN 0.565 nan 8.380 nan 0.000 0.424 488 Q N 0.832 120.750 119.800 0.197 0.000 2.030 488 Q HA -0.229 4.111 4.340 -0.001 0.000 0.204 488 Q C 2.051 178.154 176.000 0.173 0.000 0.986 488 Q CA 2.663 58.489 55.803 0.038 0.000 0.843 488 Q CB -0.227 28.291 28.738 -0.367 0.000 0.904 488 Q HN 0.498 nan 8.270 nan 0.000 0.420 489 Q N -1.367 118.547 119.800 0.191 0.000 2.234 489 Q HA -0.180 4.160 4.340 -0.001 0.000 0.206 489 Q C 1.754 177.933 176.000 0.298 0.000 0.980 489 Q CA 1.359 57.292 55.803 0.217 0.000 0.869 489 Q CB -0.269 28.581 28.738 0.187 0.000 0.912 489 Q HN 0.477 nan 8.270 nan 0.000 0.436 490 F N 0.207 120.269 119.950 0.187 0.000 2.186 490 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 490 F C 1.570 177.591 175.800 0.369 0.000 1.090 490 F CA 1.101 59.232 58.000 0.219 0.000 1.307 490 F CB -0.473 38.651 39.000 0.207 0.000 1.019 490 F HN 0.193 nan 8.300 nan 0.000 0.489 491 F N 1.326 121.324 119.950 0.081 0.000 2.074 491 F HA -0.091 4.436 4.527 -0.001 0.000 0.290 491 F C 2.128 177.926 175.800 -0.004 0.000 1.118 491 F CA 1.855 59.789 58.000 -0.110 0.000 1.199 491 F CB -1.072 37.702 39.000 -0.376 0.000 1.012 491 F HN -0.141 nan 8.300 nan 0.000 0.472 492 N N -0.358 118.415 118.700 0.122 0.000 2.242 492 N HA -0.296 4.444 4.740 -0.001 0.000 0.191 492 N C 1.640 177.260 175.510 0.183 0.000 1.005 492 N CA 1.849 54.959 53.050 0.100 0.000 0.877 492 N CB -0.663 37.964 38.487 0.234 0.000 0.983 492 N HN 0.630 nan 8.380 nan 0.000 0.439 493 H N -1.259 117.845 119.070 0.057 0.000 2.329 493 H HA -0.005 4.551 4.556 -0.001 0.000 0.306 493 H C 2.109 177.499 175.328 0.103 0.000 1.062 493 H CA 1.536 57.633 56.048 0.081 0.000 1.364 493 H CB -0.225 29.566 29.762 0.047 0.000 1.409 493 H HN 0.331 nan 8.280 nan 0.000 0.519 494 H N -0.332 118.754 119.070 0.027 0.000 2.426 494 H HA -0.147 4.409 4.556 -0.001 0.000 0.298 494 H C 2.199 177.421 175.328 -0.177 0.000 1.107 494 H CA 2.062 58.050 56.048 -0.099 0.000 1.298 494 H CB -0.157 29.467 29.762 -0.229 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.172 118.263 119.600 -0.274 0.000 2.288 495 M HA -0.059 4.421 4.480 -0.001 0.000 0.266 495 M C 1.696 177.998 176.300 0.003 0.000 1.072 495 M CA 1.046 56.154 55.300 -0.319 0.000 1.132 495 M CB -0.088 32.186 32.600 -0.543 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.168 120.143 119.950 0.042 0.000 2.163 496 F HA -0.117 4.410 4.527 -0.001 0.000 0.297 496 F C 1.740 177.483 175.800 -0.094 0.000 1.094 496 F CA 1.147 59.263 58.000 0.193 0.000 1.290 496 F CB -0.378 38.577 39.000 -0.075 0.000 1.017 496 F HN -0.192 nan 8.300 nan 0.000 0.483 497 V N 0.725 120.550 119.914 -0.147 0.000 2.261 497 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 497 V C 2.417 178.265 176.094 -0.410 0.000 1.047 497 V CA 1.962 64.054 62.300 -0.346 0.000 1.015 497 V CB -0.862 30.841 31.823 -0.201 0.000 0.642 497 V HN 0.406 nan 8.190 nan 0.000 0.446 498 L N -0.271 120.696 121.223 -0.427 0.000 1.989 498 L HA -0.177 4.163 4.340 -0.001 0.000 0.211 498 L C 2.634 179.189 176.870 -0.525 0.000 1.071 498 L CA 1.969 56.516 54.840 -0.490 0.000 0.749 498 L CB -0.688 41.054 42.059 -0.527 0.000 0.890 498 L HN 0.274 nan 8.230 nan 0.000 0.431 499 E N -0.398 119.524 120.200 -0.462 0.000 2.035 499 E HA -0.354 3.995 4.350 -0.001 0.000 0.204 499 E C 2.078 178.259 176.600 -0.697 0.000 1.025 499 E CA 1.837 57.837 56.400 -0.668 0.000 0.835 499 E CB -0.518 29.029 29.700 -0.255 0.000 0.764 499 E HN 0.642 nan 8.360 nan 0.000 0.457 500 Q N 0.459 120.101 119.800 -0.265 0.000 2.376 500 Q HA -0.220 4.120 4.340 -0.001 0.000 0.211 500 Q C 1.810 177.623 176.000 -0.310 0.000 0.986 500 Q CA 1.602 57.272 55.803 -0.222 0.000 0.886 500 Q CB -0.032 28.343 28.738 -0.606 0.000 0.927 500 Q HN 0.299 nan 8.270 nan 0.000 0.457 501 E N -0.223 119.729 120.200 -0.413 0.000 2.076 501 E HA -0.182 4.168 4.350 -0.001 0.000 0.190 501 E C 1.699 178.105 176.600 -0.324 0.000 0.979 501 E CA 0.894 57.094 56.400 -0.334 0.000 0.807 501 E CB 0.168 29.602 29.700 -0.444 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N -0.168 119.704 120.200 -0.546 0.000 2.012 502 E HA -0.147 4.202 4.350 -0.001 0.000 0.197 502 E C 0.066 176.479 176.600 -0.311 0.000 1.007 502 E CA 0.999 57.081 56.400 -0.530 0.000 0.816 502 E CB -0.263 28.828 29.700 -1.016 0.000 0.762 502 E HN 0.106 nan 8.360 nan 0.000 0.451 507 G N 1.229 110.038 108.800 0.016 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 0.186 175.093 174.900 0.012 0.000 1.012 507 G CA 0.064 45.170 45.100 0.009 0.000 0.677 507 G HN 0.145 nan 8.290 nan 0.000 0.506 508 I N 0.260 120.845 120.570 0.024 0.000 2.945 508 I HA 0.340 4.509 4.170 -0.001 0.000 0.292 508 I C 0.788 176.943 176.117 0.065 0.000 1.093 508 I CA -0.148 61.166 61.300 0.023 0.000 1.336 508 I CB 0.964 38.954 38.000 -0.016 0.000 1.435 508 I HN 0.052 nan 8.210 nan 0.000 0.593 509 E N 4.417 124.664 120.200 0.078 0.000 2.267 509 E HA 0.182 4.532 4.350 -0.001 0.000 0.241 509 E C -1.590 175.156 176.600 0.245 0.000 0.950 509 E CA -0.316 56.155 56.400 0.117 0.000 0.776 509 E CB 0.764 30.512 29.700 0.081 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.420 124.682 121.300 -0.065 0.000 2.619 510 W HA 0.306 4.966 4.660 -0.001 0.000 0.327 510 W C -0.849 175.785 176.519 0.192 0.000 1.027 510 W CA -0.645 56.682 57.345 -0.031 0.000 1.233 510 W CB 1.473 30.717 29.460 -0.360 0.000 1.370 510 W HN 0.343 nan 8.180 nan 0.000 0.453 511 E N 4.601 124.592 120.200 -0.348 0.000 2.179 511 E HA 0.501 4.851 4.350 -0.001 0.000 0.275 511 E C -1.068 175.366 176.600 -0.277 0.000 0.945 511 E CA -0.598 55.643 56.400 -0.264 0.000 0.792 511 E CB 1.976 31.542 29.700 -0.224 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.144 119.609 119.950 -0.327 0.000 2.688 512 F HA 0.508 5.035 4.527 -0.001 0.000 0.308 512 F C -1.340 174.435 175.800 -0.043 0.000 1.117 512 F CA -1.230 56.620 58.000 -0.249 0.000 0.976 512 F CB 0.480 39.338 39.000 -0.236 0.000 1.291 512 F HN 0.313 nan 8.300 nan 0.000 0.439 513 I N 2.495 123.039 120.570 -0.042 0.000 2.638 513 I HA 0.094 4.264 4.170 -0.001 0.000 0.286 513 I C 0.496 176.337 176.117 -0.460 0.000 1.088 513 I CA -0.056 61.144 61.300 -0.167 0.000 1.397 513 I CB 0.437 38.355 38.000 -0.137 0.000 1.414 513 I HN 0.704 nan 8.210 nan 0.000 0.566 514 D N 4.591 124.334 120.400 -1.096 0.000 2.571 514 D HA -0.143 4.497 4.640 -0.001 0.000 0.231 514 D C 0.555 176.363 176.300 -0.820 0.000 1.133 514 D CA 0.712 53.598 54.000 -1.856 0.000 0.862 514 D CB 0.540 40.602 40.800 -1.230 0.000 1.179 514 D HN 0.264 nan 8.370 nan 0.000 0.474 515 F N 1.723 121.544 119.950 -0.214 0.000 2.710 515 F HA 0.153 4.680 4.527 -0.001 0.000 0.298 515 F C 2.388 178.181 175.800 -0.012 0.000 1.137 515 F CA 0.276 58.273 58.000 -0.004 0.000 1.444 515 F CB -0.224 38.827 39.000 0.085 0.000 1.111 515 F HN 0.496 nan 8.300 nan 0.000 0.580 516 G N 0.303 109.156 108.800 0.087 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 1.729 176.677 174.900 0.080 0.000 1.171 516 G CA 0.856 46.026 45.100 0.118 0.000 0.775 516 G HN 0.327 nan 8.290 nan 0.000 0.543 517 M N 0.620 120.224 119.600 0.007 0.000 2.201 517 M HA -0.222 4.258 4.480 -0.001 0.000 0.251 517 M C 1.803 178.133 176.300 0.049 0.000 1.090 517 M CA 2.219 57.521 55.300 0.002 0.000 1.063 517 M CB -0.274 32.289 32.600 -0.062 0.000 1.360 517 M HN 0.147 nan 8.290 nan 0.000 0.401 518 D N -0.156 120.292 120.400 0.079 0.000 2.218 518 D HA -0.103 4.536 4.640 -0.001 0.000 0.204 518 D C 1.621 177.991 176.300 0.116 0.000 0.976 518 D CA 1.318 55.379 54.000 0.101 0.000 0.853 518 D CB 0.011 40.889 40.800 0.130 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.178 121.480 121.223 0.130 0.000 2.477 519 L HA 0.161 4.500 4.340 -0.001 0.000 0.220 519 L C 2.326 179.283 176.870 0.144 0.000 1.106 519 L CA 0.265 55.202 54.840 0.161 0.000 0.851 519 L CB -0.406 41.774 42.059 0.201 0.000 0.994 519 L HN -0.146 nan 8.230 nan 0.000 0.462 520 A N 0.512 123.400 122.820 0.112 0.000 1.997 520 A HA -0.247 4.073 4.320 -0.001 0.000 0.221 520 A C 2.568 180.210 177.584 0.096 0.000 1.172 520 A CA 1.931 54.028 52.037 0.099 0.000 0.645 520 A CB -0.748 18.294 19.000 0.070 0.000 0.813 520 A HN 0.386 nan 8.150 nan 0.000 0.454 521 A N -1.048 121.824 122.820 0.088 0.000 1.851 521 A HA -0.265 4.055 4.320 -0.001 0.000 0.216 521 A C 2.468 180.098 177.584 0.077 0.000 1.195 521 A CA 1.842 53.925 52.037 0.076 0.000 0.622 521 A CB -1.512 17.532 19.000 0.074 0.000 0.831 521 A HN 0.851 nan 8.150 nan 0.000 0.444 522 C N -0.610 118.747 119.300 0.095 0.000 2.432 522 C HA -0.079 4.381 4.460 -0.001 0.000 0.277 522 C C 2.611 177.665 174.990 0.107 0.000 1.249 522 C CA 1.079 60.144 59.018 0.077 0.000 1.725 522 C CB -1.549 26.227 27.740 0.061 0.000 2.028 522 C HN 0.582 nan 8.230 nan 0.000 0.477 523 I N 1.478 122.157 120.570 0.183 0.000 2.127 523 I HA -0.225 3.945 4.170 -0.001 0.000 0.241 523 I C 2.608 178.825 176.117 0.168 0.000 1.075 523 I CA 2.130 63.589 61.300 0.265 0.000 1.334 523 I CB -0.641 37.525 38.000 0.277 0.000 1.040 523 I HN 0.466 nan 8.210 nan 0.000 0.405 524 E N 0.691 120.958 120.200 0.111 0.000 2.097 524 E HA -0.299 4.051 4.350 -0.001 0.000 0.196 524 E C 2.228 178.838 176.600 0.015 0.000 1.000 524 E CA 1.401 57.844 56.400 0.071 0.000 0.804 524 E CB -0.716 29.021 29.700 0.062 0.000 0.740 524 E HN 0.413 nan 8.360 nan 0.000 0.454 525 L N 1.028 122.235 121.223 -0.027 0.000 2.127 525 L HA -0.133 4.207 4.340 -0.001 0.000 0.211 525 L C 2.195 178.925 176.870 -0.234 0.000 1.089 525 L CA 1.368 56.122 54.840 -0.144 0.000 0.757 525 L CB -0.104 41.872 42.059 -0.139 0.000 0.899 525 L HN 0.077 nan 8.230 nan 0.000 0.434 526 I N -1.150 119.292 120.570 -0.212 0.000 2.385 526 I HA -0.057 4.113 4.170 -0.001 0.000 0.244 526 I C 1.349 177.283 176.117 -0.304 0.000 1.089 526 I CA 0.419 61.468 61.300 -0.418 0.000 1.410 526 I CB -0.219 37.397 38.000 -0.640 0.000 1.117 526 I HN 0.325 nan 8.210 nan 0.000 0.429 530 M N 0.983 120.618 119.600 0.059 0.000 2.453 530 M HA 0.325 4.805 4.480 -0.001 0.000 0.239 530 M C 0.746 177.138 176.300 0.152 0.000 1.151 530 M CA 0.409 55.738 55.300 0.047 0.000 0.989 530 M CB 0.123 32.700 32.600 -0.039 0.000 1.548 530 M HN 0.111 nan 8.290 nan 0.000 0.479 531 G N 0.308 109.190 108.800 0.135 0.000 2.572 531 G HA2 0.359 4.319 3.960 -0.001 0.000 0.261 531 G HA3 0.359 4.319 3.960 -0.001 0.000 0.261 531 G C 1.203 176.102 174.900 -0.001 0.000 1.197 531 G CA -0.689 44.439 45.100 0.047 0.000 0.870 531 G HN 0.236 nan 8.290 nan 0.000 0.548 532 I N -0.155 120.295 120.570 -0.201 0.000 2.203 532 I HA -0.355 3.815 4.170 -0.001 0.000 0.237 532 I C 2.483 178.637 176.117 0.062 0.000 0.993 532 I CA 1.928 63.122 61.300 -0.178 0.000 1.277 532 I CB -0.718 37.050 38.000 -0.387 0.000 0.984 532 I HN 0.348 nan 8.210 nan 0.000 0.402 533 F N 1.084 121.066 119.950 0.054 0.000 2.065 533 F HA -0.244 4.283 4.527 -0.001 0.000 0.298 533 F C 3.052 178.915 175.800 0.104 0.000 1.112 533 F CA 1.828 59.885 58.000 0.095 0.000 1.212 533 F CB -1.386 37.640 39.000 0.043 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 0.268 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 1.662 59.974 58.200 0.186 0.000 1.060 534 S CB -0.643 62.637 63.200 0.134 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.052 121.728 120.570 0.176 0.000 2.300 535 I HA -0.218 3.952 4.170 -0.001 0.000 0.252 535 I C 2.219 178.504 176.117 0.281 0.000 1.119 535 I CA 0.814 62.231 61.300 0.195 0.000 1.384 535 I CB -0.288 37.802 38.000 0.151 0.000 1.062 535 I HN 0.306 nan 8.210 nan 0.000 0.426 536 L N 1.094 122.506 121.223 0.316 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 0.233 0.000 0.903 536 L HN 0.338 nan 8.230 nan 0.000 0.435 537 E N -1.504 118.768 120.200 0.119 0.000 2.502 537 E HA -0.125 4.225 4.350 -0.001 0.000 0.194 537 E C 1.518 178.178 176.600 0.101 0.000 1.062 537 E CA 0.350 56.803 56.400 0.089 0.000 0.867 537 E CB -0.044 29.718 29.700 0.103 0.000 0.888 537 E HN 0.643 nan 8.360 nan 0.000 0.510 538 E N 1.448 121.722 120.200 0.125 0.000 2.065 538 E HA -0.130 4.220 4.350 -0.001 0.000 0.191 538 E C 1.648 178.396 176.600 0.247 0.000 0.960 538 E CA 0.287 56.793 56.400 0.176 0.000 0.824 538 E CB 0.202 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 0.234 120.534 120.200 0.167 0.000 2.233 539 E HA -0.209 4.140 4.350 -0.001 0.000 0.199 539 E C 1.674 178.378 176.600 0.173 0.000 1.004 539 E CA 0.925 57.409 56.400 0.140 0.000 0.819 539 E CB -0.267 29.446 29.700 0.021 0.000 0.738 539 E HN 0.244 nan 8.360 nan 0.000 0.478 540 C N -0.510 118.845 119.300 0.092 0.000 2.466 540 C HA 0.036 4.496 4.460 -0.001 0.000 0.283 540 C C 2.173 177.220 174.990 0.096 0.000 1.472 540 C CA 0.436 59.488 59.018 0.056 0.000 1.765 540 C CB -0.892 26.856 27.740 0.014 0.000 1.724 540 C HN 0.491 nan 8.230 nan 0.000 0.560 541 M N -1.676 118.019 119.600 0.159 0.000 2.465 541 M HA 0.210 4.689 4.480 -0.001 0.000 0.249 541 M C -0.286 176.008 176.300 -0.010 0.000 1.130 541 M CA 0.417 55.756 55.300 0.065 0.000 1.067 541 M CB 0.222 32.840 32.600 0.030 0.000 1.394 541 M HN 0.120 nan 8.290 nan 0.000 0.483 542 F N 1.533 121.490 119.950 0.012 0.000 2.404 542 F HA 0.233 4.760 4.527 -0.000 0.000 0.359 542 F C -1.479 174.328 175.800 0.011 0.000 1.134 542 F CA -2.253 55.755 58.000 0.014 0.000 1.160 542 F CB 0.244 39.256 39.000 0.021 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 0.253 177.604 177.300 0.084 0.000 1.142 543 P CA 1.379 64.516 63.100 0.062 0.000 0.778 543 P CB 0.188 31.899 31.700 0.019 0.000 0.764 544 K N -1.242 119.236 120.400 0.130 0.000 3.012 544 K HA 0.436 4.755 4.320 -0.001 0.000 0.207 544 K C -0.242 176.425 176.600 0.112 0.000 1.130 544 K CA -0.338 56.011 56.287 0.104 0.000 1.021 544 K CB 1.139 33.694 32.500 0.091 0.000 0.736 544 K HN -0.010 nan 8.250 nan 0.000 0.448 545 A N 0.402 123.295 122.820 0.121 0.000 2.264 545 A HA 0.681 5.000 4.320 -0.001 0.000 0.304 545 A C 0.024 177.643 177.584 0.057 0.000 1.100 545 A CA -0.062 52.024 52.037 0.081 0.000 0.839 545 A CB 0.850 19.901 19.000 0.085 0.000 1.121 545 A HN 0.127 nan 8.150 nan 0.000 0.496 546 T N -0.154 114.431 114.554 0.052 0.000 2.916 546 T HA 0.340 4.689 4.350 -0.001 0.000 0.292 546 T C 0.168 174.918 174.700 0.084 0.000 1.064 546 T CA -0.387 61.747 62.100 0.056 0.000 1.011 546 T CB 1.475 70.374 68.868 0.051 0.000 1.152 546 T HN 0.584 nan 8.240 nan 0.000 0.510 547 D N 0.975 121.422 120.400 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 0.118 0.000 0.994 547 D CA 1.515 55.585 54.000 0.116 0.000 0.830 547 D CB -0.314 40.510 40.800 0.040 0.000 0.959 547 D HN 0.467 nan 8.370 nan 0.000 0.452 548 T N 0.119 114.713 114.554 0.066 0.000 2.720 548 T HA -0.184 4.165 4.350 -0.001 0.000 0.268 548 T C 2.076 176.802 174.700 0.044 0.000 1.037 548 T CA 1.823 63.955 62.100 0.053 0.000 1.144 548 T CB -0.309 68.594 68.868 0.058 0.000 0.864 548 T HN 0.241 nan 8.240 nan 0.000 0.444 549 S N 1.318 117.051 115.700 0.056 0.000 2.354 549 S HA -0.116 4.354 4.470 -0.001 0.000 0.219 549 S C 1.052 175.679 174.600 0.046 0.000 1.035 549 S CA 0.472 58.691 58.200 0.032 0.000 1.037 549 S CB -0.901 62.308 63.200 0.016 0.000 0.956 549 S HN 0.371 nan 8.310 nan 0.000 0.428 555 Y N 0.938 121.147 120.300 -0.151 0.000 2.114 555 Y HA -0.091 4.458 4.550 -0.001 0.000 0.284 555 Y C 2.207 178.036 175.900 -0.119 0.000 1.119 555 Y CA 1.714 59.788 58.100 -0.045 0.000 1.108 555 Y CB -0.672 37.816 38.460 0.046 0.000 0.995 555 Y HN 0.143 nan 8.280 nan 0.000 0.491 556 D N -0.143 120.309 120.400 0.086 0.000 2.244 556 D HA -0.246 4.394 4.640 -0.001 0.000 0.197 556 D C 1.948 178.187 176.300 -0.103 0.000 1.006 556 D CA 1.973 55.965 54.000 -0.012 0.000 0.888 556 D CB -0.140 40.640 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 1.523 177.770 176.600 -0.590 0.000 0.975 557 E CA 0.734 56.897 56.400 -0.394 0.000 0.878 557 E CB 0.229 29.631 29.700 -0.496 0.000 0.845 557 E HN 0.323 nan 8.360 nan 0.000 0.488 558 H N -0.710 118.121 119.070 -0.398 0.000 2.788 558 H HA 0.225 4.780 4.556 -0.001 0.000 0.262 558 H C 0.237 175.406 175.328 -0.265 0.000 0.968 558 H CA -0.164 55.553 56.048 -0.552 0.000 1.218 558 H CB 0.262 29.251 29.762 -1.289 0.000 1.443 558 H HN 0.143 nan 8.280 nan 0.000 0.478 559 L N 1.247 122.503 121.223 0.054 0.000 2.499 559 L HA 0.160 4.499 4.340 -0.001 0.000 0.273 559 L C 1.305 178.270 176.870 0.158 0.000 1.195 559 L CA 1.119 56.158 54.840 0.332 0.000 0.882 559 L CB 0.338 42.648 42.059 0.419 0.000 1.133 559 L HN 0.570 nan 8.230 nan 0.000 0.483 560 G N 3.024 111.928 108.800 0.174 0.000 2.347 560 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.247 560 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.247 560 G C 1.217 176.163 174.900 0.077 0.000 1.037 560 G CA 0.544 45.702 45.100 0.097 0.000 0.622 560 G HN 0.645 nan 8.290 nan 0.000 0.521 561 K N 0.145 120.586 120.400 0.069 0.000 2.323 561 K HA 0.303 4.623 4.320 -0.001 0.000 0.197 561 K C 0.419 177.061 176.600 0.071 0.000 1.043 561 K CA 0.666 56.978 56.287 0.041 0.000 0.997 561 K CB 0.208 32.701 32.500 -0.011 0.000 0.807 561 K HN 0.313 nan 8.250 nan 0.000 0.497 562 S N 0.051 115.825 115.700 0.124 0.000 2.532 562 S HA 0.213 4.683 4.470 -0.001 0.000 0.299 562 S C 0.225 174.937 174.600 0.187 0.000 1.105 562 S CA -0.643 57.648 58.200 0.151 0.000 1.018 562 S CB 1.773 65.070 63.200 0.161 0.000 1.021 562 S HN 0.232 nan 8.310 nan 0.000 0.483 563 N N 2.754 121.535 118.700 0.135 0.000 2.250 563 N HA -0.035 4.704 4.740 -0.001 0.000 0.181 563 N C 1.029 176.614 175.510 0.125 0.000 1.017 563 N CA 0.753 53.873 53.050 0.116 0.000 0.866 563 N CB 0.008 38.545 38.487 0.085 0.000 0.985 563 N HN 0.545 nan 8.380 nan 0.000 0.429 564 N N -0.856 117.922 118.700 0.130 0.000 2.494 564 N HA -0.025 4.715 4.740 -0.001 0.000 0.182 564 N C -0.619 174.983 175.510 0.153 0.000 1.076 564 N CA 0.174 53.293 53.050 0.115 0.000 0.908 564 N CB 0.163 38.700 38.487 0.083 0.000 0.967 564 N HN 0.141 nan 8.380 nan 0.000 0.449 565 F N 1.651 121.623 119.950 0.037 0.000 2.404 565 F HA 0.359 4.886 4.527 -0.001 0.000 0.345 565 F C -0.133 175.730 175.800 0.104 0.000 1.110 565 F CA -0.252 57.782 58.000 0.057 0.000 1.130 565 F CB 0.637 39.647 39.000 0.017 0.000 1.129 565 F HN -0.119 nan 8.300 nan 0.000 0.500 566 Q N 4.168 123.706 119.800 -0.437 0.000 2.482 566 Q HA 0.268 4.608 4.340 -0.001 0.000 0.286 566 Q C -1.442 174.423 176.000 -0.225 0.000 1.007 566 Q CA -1.301 54.388 55.803 -0.190 0.000 0.801 566 Q CB 2.992 31.695 28.738 -0.059 0.000 1.455 566 Q HN 0.641 nan 8.270 nan 0.000 0.398 567 K N 0.556 120.925 120.400 -0.052 0.000 2.172 567 K HA 0.576 4.896 4.320 -0.001 0.000 0.276 567 K C -2.544 174.055 176.600 -0.002 0.000 1.013 567 K CA -1.688 54.616 56.287 0.028 0.000 0.913 567 K CB 0.773 33.287 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 -0.995 176.288 177.300 -0.028 0.000 1.215 568 P CA -0.305 62.778 63.100 -0.028 0.000 0.780 568 P CB 0.481 32.151 31.700 -0.049 0.000 0.898 569 K N 3.192 123.573 120.400 -0.032 0.000 2.250 569 K HA 0.160 4.480 4.320 -0.001 0.000 0.285 569 K C -1.607 174.974 176.600 -0.032 0.000 1.097 569 K CA -1.561 54.711 56.287 -0.025 0.000 0.913 569 K CB 0.593 33.083 32.500 -0.017 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 -0.291 177.001 177.300 -0.014 0.000 1.156 570 P CA 0.514 63.595 63.100 -0.031 0.000 0.787 570 P CB 0.430 32.110 31.700 -0.032 0.000 0.802 571 A N -1.165 121.650 122.820 -0.009 0.000 2.384 571 A HA 0.763 5.082 4.320 -0.001 0.000 0.312 571 A C 0.211 177.797 177.584 0.003 0.000 1.113 571 A CA -0.280 51.757 52.037 0.000 0.000 0.779 571 A CB 1.683 20.683 19.000 -0.000 0.000 1.307 571 A HN -0.063 nan 8.150 nan 0.000 0.436 572 K N -0.975 119.429 120.400 0.008 0.000 8.038 572 K HA -0.086 4.233 4.320 -0.001 0.000 0.228 572 K C 0.900 177.510 176.600 0.017 0.000 1.590 572 K CA 0.181 56.475 56.287 0.011 0.000 0.932 572 K CB -1.039 31.467 32.500 0.009 0.000 0.482 572 K HN 1.011 nan 8.250 nan 0.000 0.444 573 G N 1.836 110.649 108.800 0.021 0.000 3.088 573 G HA2 0.137 4.097 3.960 -0.001 0.000 0.217 573 G HA3 0.137 4.097 3.960 -0.001 0.000 0.217 573 G C -0.100 174.827 174.900 0.045 0.000 1.159 573 G CA 0.079 45.197 45.100 0.030 0.000 0.760 573 G HN 0.082 nan 8.290 nan 0.000 0.550 574 K N -0.220 120.203 120.400 0.038 0.000 2.126 574 K HA 0.543 4.863 4.320 -0.001 0.000 0.257 574 K C 0.933 177.574 176.600 0.069 0.000 1.007 574 K CA 0.056 56.376 56.287 0.054 0.000 0.928 574 K CB 1.665 34.175 32.500 0.016 0.000 1.013 574 K HN 0.002 nan 8.250 nan 0.000 0.473 575 A N 1.247 124.141 122.820 0.122 0.000 2.108 575 A HA 0.084 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 0.690 52.809 52.037 0.135 0.000 0.843 575 A CB 0.301 19.436 19.000 0.225 0.000 0.902 575 A HN 0.800 nan 8.150 nan 0.000 0.477 576 E N -2.462 117.794 120.200 0.094 0.000 2.394 576 E HA 0.620 4.969 4.350 -0.001 0.000 0.266 576 E C -1.632 174.905 176.600 -0.105 0.000 1.065 576 E CA -0.482 55.920 56.400 0.004 0.000 0.885 576 E CB 1.470 31.181 29.700 0.018 0.000 1.659 576 E HN 0.290 nan 8.360 nan 0.000 0.462 577 A N 0.537 123.199 122.820 -0.262 0.000 2.324 577 A HA 0.672 4.992 4.320 -0.001 0.000 0.330 577 A C -0.638 176.463 177.584 -0.805 0.000 1.165 577 A CA -0.093 51.746 52.037 -0.328 0.000 0.813 577 A CB 0.614 19.491 19.000 -0.205 0.000 1.197 577 A HN 0.752 nan 8.150 nan 0.000 0.484 578 H N 0.597 119.664 119.070 -0.005 0.000 1.718 578 H HA 0.157 4.713 4.556 -0.001 0.000 0.132 578 H C -0.834 174.578 175.328 0.140 0.000 1.127 578 H CA 0.989 57.063 56.048 0.044 0.000 0.969 578 H CB 0.483 30.226 29.762 -0.031 0.000 0.595 578 H HN 0.992 nan 8.280 nan 0.000 0.274 579 F N 1.371 121.329 119.950 0.014 0.000 2.680 579 F HA 0.577 5.104 4.527 -0.001 0.000 0.315 579 F C -1.593 174.184 175.800 -0.039 0.000 1.099 579 F CA -1.064 56.861 58.000 -0.126 0.000 1.033 579 F CB 1.030 39.846 39.000 -0.307 0.000 1.285 579 F HN -0.020 nan 8.300 nan 0.000 0.457 580 S N 3.419 119.113 115.700 -0.009 0.000 2.593 580 S HA 0.899 5.368 4.470 -0.001 0.000 0.297 580 S C -1.236 173.440 174.600 0.128 0.000 1.112 580 S CA -0.760 57.441 58.200 0.001 0.000 1.043 580 S CB 2.260 65.439 63.200 -0.034 0.000 1.054 580 S HN 0.747 nan 8.310 nan 0.000 0.516 581 L N 1.227 122.581 121.223 0.218 0.000 2.341 581 L HA 0.578 4.918 4.340 -0.001 0.000 0.267 581 L C -0.829 176.133 176.870 0.155 0.000 1.009 581 L CA -0.616 54.345 54.840 0.202 0.000 0.819 581 L CB 2.299 44.516 42.059 0.264 0.000 1.323 581 L HN 0.631 nan 8.230 nan 0.000 0.425 582 V N 3.034 122.991 119.914 0.072 0.000 2.217 582 V HA 0.314 4.434 4.120 -0.001 0.000 0.264 582 V C 0.149 176.295 176.094 0.087 0.000 1.107 582 V CA -0.654 61.703 62.300 0.095 0.000 0.913 582 V CB -0.371 31.500 31.823 0.079 0.000 1.153 582 V HN 0.573 nan 8.190 nan 0.000 0.469 583 H N 2.675 121.828 119.070 0.138 0.000 2.544 583 H HA 0.103 4.659 4.556 -0.001 0.000 0.365 583 H C 1.191 176.475 175.328 -0.074 0.000 1.268 583 H CA 0.229 56.331 56.048 0.091 0.000 1.400 583 H CB 1.232 31.124 29.762 0.217 0.000 1.538 583 H HN 0.665 nan 8.280 nan 0.000 0.597 584 Y N -0.049 120.318 120.300 0.111 0.000 2.165 584 Y HA -0.161 4.388 4.550 -0.001 0.000 0.286 584 Y C 2.213 178.029 175.900 -0.141 0.000 1.155 584 Y CA 1.081 59.173 58.100 -0.014 0.000 1.164 584 Y CB -0.908 37.545 38.460 -0.012 0.000 0.978 584 Y HN 0.526 nan 8.280 nan 0.000 0.513 585 A N 0.521 122.745 122.820 -0.992 0.000 2.014 585 A HA 0.432 4.751 4.320 -0.001 0.000 0.218 585 A C 1.581 178.955 177.584 -0.350 0.000 1.163 585 A CA 1.325 52.902 52.037 -0.767 0.000 0.652 585 A CB -1.111 16.959 19.000 -1.550 0.000 0.808 585 A HN 0.985 nan 8.150 nan 0.000 0.449 586 G N -2.865 105.804 108.800 -0.217 0.000 2.350 586 G HA2 0.329 4.289 3.960 -0.001 0.000 0.276 586 G HA3 0.329 4.289 3.960 -0.001 0.000 0.276 586 G C -0.770 174.197 174.900 0.112 0.000 1.313 586 G CA -0.110 44.978 45.100 -0.019 0.000 0.903 586 G HN 0.202 nan 8.290 nan 0.000 0.490 587 T N 0.641 115.248 114.554 0.090 0.000 2.743 587 T HA 0.549 4.899 4.350 -0.001 0.000 0.293 587 T C -0.054 174.675 174.700 0.049 0.000 0.945 587 T CA -0.100 62.058 62.100 0.097 0.000 1.030 587 T CB 1.200 70.093 68.868 0.041 0.000 0.912 587 T HN 0.730 nan 8.240 nan 0.000 0.483 588 V N 4.433 124.380 119.914 0.055 0.000 2.417 588 V HA 0.317 4.436 4.120 -0.001 0.000 0.291 588 V C -0.130 175.722 176.094 -0.403 0.000 1.024 588 V CA -1.025 61.119 62.300 -0.259 0.000 0.861 588 V CB 1.808 33.329 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 -0.418 0.000 2.347 589 D HA 0.327 4.966 4.640 -0.001 0.000 0.235 589 D C -0.932 175.077 176.300 -0.486 0.000 1.149 589 D CA 0.112 53.905 54.000 -0.345 0.000 0.850 589 D CB 1.181 41.866 40.800 -0.192 0.000 1.061 589 D HN 0.440 nan 8.370 nan 0.000 0.487 590 Y N 1.286 121.304 120.300 -0.470 0.000 2.342 590 Y HA 0.169 4.719 4.550 -0.000 0.000 0.334 590 Y C 1.006 176.655 175.900 -0.418 0.000 1.067 590 Y CA -0.875 56.902 58.100 -0.538 0.000 1.128 590 Y CB 1.198 39.158 38.460 -0.834 0.000 1.200 590 Y HN 0.207 nan 8.280 nan 0.000 0.464 591 N N 3.951 122.593 118.700 -0.096 0.000 2.424 591 N HA 0.276 5.016 4.740 -0.001 0.000 0.271 591 N C -1.108 174.224 175.510 -0.296 0.000 0.985 591 N CA -0.304 52.750 53.050 0.007 0.000 0.921 591 N CB 0.788 39.218 38.487 -0.096 0.000 1.149 591 N HN 0.750 nan 8.380 nan 0.000 0.492 592 I N 2.862 122.895 120.570 -0.895 0.000 2.261 592 I HA 0.050 4.220 4.170 -0.001 0.000 0.285 592 I C 0.195 175.816 176.117 -0.828 0.000 1.113 592 I CA -0.229 60.166 61.300 -1.507 0.000 1.377 592 I CB 0.049 37.391 38.000 -1.095 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.289 117.824 115.700 -0.276 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 0.287 0.000 1.219 593 S CA 0.079 58.304 58.200 0.041 0.000 1.151 593 S CB 1.283 64.534 63.200 0.085 0.000 1.080 593 S HN 0.804 nan 8.310 nan 0.000 0.481 594 G N 2.750 111.711 108.800 0.269 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 0.572 175.580 174.900 0.180 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 0.781 121.990 121.300 -0.152 0.000 2.317 595 W HA 0.113 4.772 4.660 -0.001 0.000 0.318 595 W C 2.395 178.653 176.519 -0.434 0.000 1.227 595 W CA 1.492 58.623 57.345 -0.356 0.000 1.269 595 W CB -1.311 27.998 29.460 -0.251 0.000 1.155 595 W HN 0.278 nan 8.180 nan 0.000 0.484 596 L N 0.190 121.365 121.223 -0.080 0.000 1.997 596 L HA -0.196 4.144 4.340 -0.001 0.000 0.216 596 L C 1.688 178.485 176.870 -0.121 0.000 1.074 596 L CA 1.739 56.483 54.840 -0.161 0.000 0.763 596 L CB -1.277 40.719 42.059 -0.104 0.000 0.890 596 L HN -0.080 nan 8.230 nan 0.000 0.434 602 P HA 0.369 nan 4.420 nan 0.000 0.271 602 P C -0.871 176.451 177.300 0.038 0.000 1.233 602 P CA -0.373 62.751 63.100 0.040 0.000 0.764 602 P CB 0.687 32.400 31.700 0.021 0.000 0.825 603 L N 2.990 124.233 121.223 0.033 0.000 2.436 603 L HA 0.316 4.655 4.340 -0.001 0.000 0.268 603 L C 0.104 176.951 176.870 -0.039 0.000 0.974 603 L CA -0.840 54.001 54.840 0.002 0.000 0.826 603 L CB 1.680 43.737 42.059 -0.004 0.000 1.291 603 L HN 0.317 nan 8.230 nan 0.000 0.406 604 N N 2.167 120.825 118.700 -0.070 0.000 2.406 604 N HA -0.031 4.709 4.740 -0.001 0.000 0.274 604 N C 0.622 176.043 175.510 -0.148 0.000 1.249 604 N CA 0.480 53.472 53.050 -0.097 0.000 0.951 604 N CB 0.494 38.921 38.487 -0.100 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 -0.106 0.000 2.265 605 E HA -0.138 4.212 4.350 -0.001 0.000 0.196 605 E C 0.917 177.433 176.600 -0.140 0.000 0.996 605 E CA 1.326 57.659 56.400 -0.112 0.000 0.832 605 E CB 0.173 29.849 29.700 -0.040 0.000 0.756 605 E HN 0.665 nan 8.360 nan 0.000 0.491 606 T N 0.107 114.583 114.554 -0.130 0.000 2.737 606 T HA -0.122 4.228 4.350 -0.001 0.000 0.265 606 T C 2.047 176.632 174.700 -0.192 0.000 1.038 606 T CA 1.144 63.172 62.100 -0.121 0.000 1.144 606 T CB -0.157 68.660 68.868 -0.085 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.179 121.934 119.914 -0.265 0.000 2.287 607 V HA -0.158 3.961 4.120 -0.001 0.000 0.248 607 V C 2.490 178.130 176.094 -0.756 0.000 1.053 607 V CA 1.421 63.460 62.300 -0.434 0.000 1.027 607 V CB -0.754 30.807 31.823 -0.437 0.000 0.646 607 V HN 0.495 nan 8.190 nan 0.000 0.447 608 I N 1.003 121.125 120.570 -0.746 0.000 2.315 608 I HA -0.230 3.940 4.170 -0.001 0.000 0.251 608 I C 2.565 178.412 176.117 -0.449 0.000 1.125 608 I CA 1.781 62.583 61.300 -0.829 0.000 1.392 608 I CB -1.362 36.311 38.000 -0.546 0.000 1.065 608 I HN 0.462 nan 8.210 nan 0.000 0.424 609 G N 1.581 110.206 108.800 -0.291 0.000 2.459 609 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.217 609 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.217 609 G C 1.531 176.369 174.900 -0.104 0.000 1.183 609 G CA 0.443 45.461 45.100 -0.137 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N 0.007 121.144 121.223 -0.143 0.000 2.043 610 L HA -0.087 4.252 4.340 -0.001 0.000 0.212 610 L C 2.718 179.633 176.870 0.075 0.000 1.075 610 L CA 0.919 55.736 54.840 -0.039 0.000 0.752 610 L CB -1.346 40.693 42.059 -0.034 0.000 0.891 610 L HN 0.236 nan 8.230 nan 0.000 0.432 611 Y N -0.255 119.976 120.300 -0.114 0.000 2.128 611 Y HA -0.152 4.398 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 -0.144 57.892 58.100 -0.107 0.000 1.149 611 Y CB -1.166 37.120 38.460 -0.290 0.000 0.976 611 Y HN 0.311 nan 8.280 nan 0.000 0.505 615 S N 0.611 116.314 115.700 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 58.322 58.200 -0.003 0.000 0.914 615 S CB -0.120 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 0.269 4.609 4.340 -0.001 0.000 0.210 619 L C 2.519 179.362 176.870 -0.045 0.000 1.076 619 L CA 2.728 57.460 54.840 -0.181 0.000 0.749 619 L CB -0.951 41.011 42.059 -0.163 0.000 0.893 619 L HN 0.389 nan 8.230 nan 0.000 0.432 620 A N -0.667 122.130 122.820 -0.038 0.000 1.883 620 A HA -0.209 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 2.061 54.122 52.037 0.039 0.000 0.624 620 A CB -0.970 18.040 19.000 0.017 0.000 0.822 620 A HN 0.448 nan 8.150 nan 0.000 0.444 621 L N -0.961 120.224 121.223 -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 1.596 56.390 54.840 -0.077 0.000 0.751 621 L CB -0.674 41.287 42.059 -0.164 0.000 0.889 621 L HN 0.320 nan 8.230 nan 0.000 0.432 622 L N -1.580 119.526 121.223 -0.194 0.000 2.171 622 L HA -0.295 4.045 4.340 -0.001 0.000 0.216 622 L C 2.163 178.974 176.870 -0.098 0.000 1.084 622 L CA 1.902 56.605 54.840 -0.230 0.000 0.771 622 L CB -0.898 40.942 42.059 -0.365 0.000 0.890 622 L HN 0.164 nan 8.230 nan 0.000 0.437 623 F N -1.682 118.342 119.950 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 0.191 0.000 1.114 623 F HN 0.015 nan 8.300 nan 0.000 0.576 624 A N -0.030 122.959 122.820 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 0.145 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 -0.172 4.177 4.350 -0.001 0.000 0.269 625 T C 1.681 176.341 174.700 -0.066 0.000 1.054 625 T CA 1.796 63.872 62.100 -0.041 0.000 1.135 625 T CB -0.489 68.296 68.868 -0.137 0.000 0.869 625 T HN 0.547 nan 8.240 nan 0.000 0.466 626 Y N 1.222 121.616 120.300 0.155 0.000 2.163 626 Y HA 0.177 4.727 4.550 -0.001 0.000 0.288 626 Y C 2.992 178.957 175.900 0.108 0.000 1.136 626 Y CA 0.991 59.192 58.100 0.169 0.000 1.147 626 Y CB -0.978 37.646 38.460 0.274 0.000 0.987 626 Y HN 0.333 nan 8.280 nan 0.000 0.509 627 G N -0.436 108.529 108.800 0.275 0.000 2.432 627 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.219 627 G HA3 -0.189 3.770 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 0.936 46.129 45.100 0.154 0.000 0.767 627 G HN 0.526 nan 8.290 nan 0.000 0.550 628 G N 0.122 108.962 108.800 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 1.472 176.374 174.900 0.005 0.000 1.133 628 G CA 0.527 45.642 45.100 0.024 0.000 0.792 628 G HN 0.529 nan 8.290 nan 0.000 0.539 629 E N 0.341 120.542 120.200 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 0.012 0.000 1.028 629 E CA 0.234 56.623 56.400 -0.019 0.000 0.876 629 E CB 0.213 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 0.038 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 0.039 0.000 0.643 630 A CB -0.337 18.691 19.000 0.047 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 2.064 178.663 176.600 -0.001 0.000 1.000 631 E CA 0.986 57.388 56.400 0.003 0.000 0.804 631 E CB -0.418 29.282 29.700 -0.001 0.000 0.740 631 E HN 0.634 nan 8.360 nan 0.000 0.454 632 G N 0.433 109.230 108.800 -0.005 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 45.781 45.100 -0.011 0.000 0.775 632 G HN 0.329 nan 8.290 nan 0.000 0.548 633 G N -0.266 108.535 108.800 0.002 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 0.006 0.000 1.215 633 G CA 0.646 45.749 45.100 0.005 0.000 0.943 633 G HN 0.333 nan 8.290 nan 0.000 0.572 634 G N 0.676 109.477 108.800 0.002 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 0.937 175.837 174.900 -0.001 0.000 1.168 634 G CA 0.941 46.042 45.100 0.002 0.000 0.771 634 G HN 0.726 nan 8.290 nan 0.000 0.551 635 G N -0.827 107.970 108.800 -0.004 0.000 2.471 635 G HA2 0.522 4.482 3.960 -0.001 0.000 0.332 635 G HA3 0.522 4.482 3.960 -0.001 0.000 0.332 635 G C -0.560 174.335 174.900 -0.009 0.000 1.176 635 G CA -0.864 44.232 45.100 -0.007 0.000 0.949 635 G HN 0.251 nan 8.290 nan 0.000 0.488 636 K N 1.392 121.786 120.400 -0.009 0.000 2.511 636 K HA 0.220 4.540 4.320 -0.001 0.000 0.280 636 K C -0.053 176.535 176.600 -0.020 0.000 1.008 636 K CA 0.825 57.105 56.287 -0.011 0.000 1.050 636 K CB 0.242 32.737 32.500 -0.009 0.000 0.889 636 K HN 0.657 nan 8.250 nan 0.000 0.484 637 K N -0.331 120.055 120.400 -0.023 0.000 7.478 637 K HA -0.114 4.206 4.320 -0.001 0.000 1.018 637 K C 0.166 176.739 176.600 -0.046 0.000 1.997 637 K CA -0.010 56.251 56.287 -0.044 0.000 1.165 637 K CB -1.237 31.229 32.500 -0.056 0.000 2.198 637 K HN 0.978 nan 8.250 nan 0.000 0.323 638 G N -0.936 107.827 108.800 -0.062 0.000 2.482 638 G HA2 0.264 4.224 3.960 -0.001 0.000 0.214 638 G HA3 0.264 4.224 3.960 -0.001 0.000 0.214 638 G C -0.311 174.567 174.900 -0.038 0.000 1.271 638 G CA 0.041 45.110 45.100 -0.052 0.000 0.944 638 G HN 1.269 nan 8.290 nan 0.000 0.568 639 G N -0.621 108.165 108.800 -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 0.478 175.375 174.900 -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 1.317 121.721 120.400 0.008 0.000 2.211 640 K HA -0.067 4.253 4.320 -0.001 0.000 0.203 640 K C 2.045 178.634 176.600 -0.019 0.000 1.050 640 K CA 0.837 57.131 56.287 0.012 0.000 0.945 640 K CB 0.187 32.715 32.500 0.046 0.000 0.732 640 K HN 0.408 nan 8.250 nan 0.000 0.451 641 K N 1.135 121.517 120.400 -0.029 0.000 2.283 641 K HA -0.097 4.222 4.320 -0.001 0.000 0.202 641 K C 1.681 178.247 176.600 -0.058 0.000 1.048 641 K CA 0.944 57.194 56.287 -0.062 0.000 0.948 641 K CB 0.018 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 -0.056 120.322 120.400 -0.038 0.000 2.160 642 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 642 K C 1.847 178.426 176.600 -0.036 0.000 1.047 642 K CA 1.397 57.665 56.287 -0.031 0.000 0.930 642 K CB -0.066 32.421 32.500 -0.021 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 0.137 174.995 174.900 -0.070 0.000 1.038 643 G CA 0.335 45.410 45.100 -0.040 0.000 0.809 643 G HN 0.186 nan 8.290 nan 0.000 0.526 644 S N -1.235 114.400 115.700 -0.108 0.000 2.872 644 S HA -0.210 4.259 4.470 -0.001 0.000 0.270 644 S C 0.452 174.881 174.600 -0.286 0.000 1.345 644 S CA 0.432 58.519 58.200 -0.188 0.000 1.080 644 S CB -2.675 60.427 63.200 -0.162 0.000 1.328 644 S HN 1.637 nan 8.310 nan 0.000 0.692 645 S N 0.832 116.415 115.700 -0.196 0.000 2.586 645 S HA 0.763 5.233 4.470 -0.001 0.000 0.274 645 S C 0.050 174.537 174.600 -0.188 0.000 1.281 645 S CA -0.828 57.272 58.200 -0.165 0.000 1.035 645 S CB 0.216 63.427 63.200 0.019 0.000 0.962 645 S HN 0.376 nan 8.310 nan 0.000 0.512 646 F N 1.467 121.419 119.950 0.005 0.000 2.518 646 F HA 0.209 4.736 4.527 -0.000 0.000 0.359 646 F C 1.834 177.651 175.800 0.029 0.000 1.118 646 F CA 0.039 58.049 58.000 0.017 0.000 1.287 646 F CB 0.474 39.491 39.000 0.028 0.000 1.132 646 F HN 0.706 nan 8.300 nan 0.000 0.587 647 Q N 0.082 119.998 119.800 0.192 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 0.117 0.000 0.895 647 Q CA 0.401 56.276 55.803 0.119 0.000 0.929 647 Q CB 0.901 29.682 28.738 0.073 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 0.115 174.868 174.700 0.088 0.000 1.044 648 T CA -0.495 61.662 62.100 0.095 0.000 0.995 648 T CB 2.061 70.977 68.868 0.081 0.000 1.072 648 T HN -0.181 nan 8.240 nan 0.000 0.473 649 V N 3.483 123.417 119.914 0.033 0.000 3.592 649 V HA 0.091 4.211 4.120 -0.001 0.000 0.272 649 V C 1.466 177.638 176.094 0.130 0.000 1.228 649 V CA 1.914 64.242 62.300 0.047 0.000 1.173 649 V CB -0.471 31.340 31.823 -0.021 0.000 0.873 649 V HN 0.981 nan 8.190 nan 0.000 0.476 650 S N -2.532 113.223 115.700 0.091 0.000 2.546 650 S HA 0.243 4.712 4.470 -0.001 0.000 0.282 650 S C 1.768 176.354 174.600 -0.025 0.000 1.074 650 S CA 0.523 58.714 58.200 -0.016 0.000 1.254 650 S CB 0.204 63.293 63.200 -0.185 0.000 1.103 650 S HN 0.372 nan 8.310 nan 0.000 0.589 651 A N 2.279 125.134 122.820 0.058 0.000 1.940 651 A HA 0.147 4.467 4.320 -0.001 0.000 0.219 651 A C 2.048 179.709 177.584 0.128 0.000 1.176 651 A CA 1.628 53.723 52.037 0.096 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 -2.625 118.709 121.223 0.186 0.000 2.071 652 L HA 0.004 4.343 4.340 -0.001 0.000 0.201 652 L C 2.300 179.263 176.870 0.156 0.000 1.076 652 L CA 1.147 56.107 54.840 0.199 0.000 0.755 652 L CB -0.701 41.487 42.059 0.215 0.000 0.915 652 L HN 0.410 nan 8.230 nan 0.000 0.445 653 F N 1.386 121.349 119.950 0.021 0.000 2.076 653 F HA -0.399 4.128 4.527 -0.001 0.000 0.294 653 F C 2.580 178.401 175.800 0.036 0.000 1.078 653 F CA 1.968 59.977 58.000 0.014 0.000 1.247 653 F CB -0.439 38.514 39.000 -0.079 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 -0.230 0.000 2.070 654 R HA -0.178 4.161 4.340 -0.001 0.000 0.233 654 R C 2.273 178.490 176.300 -0.139 0.000 1.137 654 R CA 1.799 57.769 56.100 -0.217 0.000 0.945 654 R CB -0.733 29.541 30.300 -0.043 0.000 0.845 654 R HN 0.403 nan 8.270 nan 0.000 0.430 655 E N 0.295 120.474 120.200 -0.036 0.000 2.118 655 E HA -0.201 4.149 4.350 -0.001 0.000 0.195 655 E C 1.474 178.073 176.600 -0.001 0.000 0.992 655 E CA 1.625 58.027 56.400 0.004 0.000 0.804 655 E CB 0.025 29.758 29.700 0.056 0.000 0.741 655 E HN 0.375 nan 8.360 nan 0.000 0.458 656 N N -0.417 118.292 118.700 0.014 0.000 2.135 656 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 656 N C 1.611 177.106 175.510 -0.025 0.000 1.027 656 N CA 0.493 53.595 53.050 0.087 0.000 0.849 656 N CB -0.048 38.584 38.487 0.242 0.000 1.002 656 N HN 0.070 nan 8.380 nan 0.000 0.425 657 L N 1.200 122.278 121.223 -0.242 0.000 2.450 657 L HA 0.054 4.394 4.340 -0.001 0.000 0.224 657 L C -0.104 176.600 176.870 -0.276 0.000 1.149 657 L CA 1.193 55.791 54.840 -0.404 0.000 0.816 657 L CB -0.698 40.961 42.059 -0.666 0.000 0.932 657 L HN 0.066 nan 8.230 nan 0.000 0.449 661 M N 0.894 120.304 119.600 -0.316 0.000 2.435 661 M HA 0.020 4.500 4.480 -0.001 0.000 0.262 661 M C 1.952 178.098 176.300 -0.257 0.000 1.065 661 M CA 1.632 56.721 55.300 -0.353 0.000 1.076 661 M CB -1.270 31.143 32.600 -0.311 0.000 1.403 661 M HN 0.568 nan 8.290 nan 0.000 0.454 662 A N -0.225 122.505 122.820 -0.149 0.000 1.943 662 A HA -0.045 4.275 4.320 -0.001 0.000 0.213 662 A C 2.006 179.586 177.584 -0.007 0.000 1.181 662 A CA 0.927 52.927 52.037 -0.061 0.000 0.653 662 A CB -0.356 18.632 19.000 -0.021 0.000 0.833 662 A HN 0.380 nan 8.150 nan 0.000 0.451 663 N N -0.165 118.536 118.700 0.001 0.000 2.270 663 N HA -0.054 4.686 4.740 -0.001 0.000 0.181 663 N C 1.385 176.989 175.510 0.158 0.000 1.016 663 N CA 0.752 53.892 53.050 0.149 0.000 0.870 663 N CB -0.234 38.374 38.487 0.202 0.000 0.979 663 N HN 0.276 nan 8.380 nan 0.000 0.431 664 L N 1.463 122.640 121.223 -0.076 0.000 2.141 664 L HA 0.009 4.349 4.340 -0.001 0.000 0.209 664 L C 2.167 179.004 176.870 -0.055 0.000 1.094 664 L CA 1.188 55.917 54.840 -0.184 0.000 0.763 664 L CB -0.345 41.336 42.059 -0.629 0.000 0.908 664 L HN 0.083 nan 8.230 nan 0.000 0.437 665 R N -1.011 119.475 120.500 -0.024 0.000 2.062 665 R HA -0.004 4.336 4.340 -0.001 0.000 0.229 665 R C 1.584 177.977 176.300 0.154 0.000 1.128 665 R CA 1.348 57.532 56.100 0.140 0.000 0.960 665 R CB -0.502 29.849 30.300 0.085 0.000 0.855 665 R HN 0.363 nan 8.270 nan 0.000 0.432 666 S N 0.736 116.512 115.700 0.128 0.000 3.009 666 S HA 0.061 4.530 4.470 -0.001 0.000 0.243 666 S C 0.044 174.693 174.600 0.082 0.000 1.012 666 S CA 0.090 58.361 58.200 0.119 0.000 1.113 666 S CB 0.030 63.323 63.200 0.154 0.000 0.827 666 S HN 0.088 nan 8.310 nan 0.000 0.495 667 T N 1.200 115.813 114.554 0.098 0.000 2.906 667 T HA 0.270 4.620 4.350 -0.001 0.000 0.295 667 T C -0.923 173.836 174.700 0.097 0.000 1.061 667 T CA -0.663 61.468 62.100 0.052 0.000 1.000 667 T CB 1.428 70.357 68.868 0.102 0.000 1.103 667 T HN 0.478 nan 8.240 nan 0.000 0.486 668 H N 3.905 122.908 119.070 -0.112 0.000 2.872 668 H HA 0.281 4.837 4.556 -0.001 0.000 0.273 668 H C -2.355 172.739 175.328 -0.391 0.000 1.205 668 H CA -2.549 53.364 56.048 -0.225 0.000 1.342 668 H CB 0.547 30.157 29.762 -0.253 0.000 1.469 668 H HN 0.163 nan 8.280 nan 0.000 0.487 669 P HA -0.012 nan 4.420 nan 0.000 0.267 669 P C -0.882 175.806 177.300 -1.021 0.000 1.205 669 P CA 0.498 63.209 63.100 -0.648 0.000 0.765 669 P CB 0.650 31.872 31.700 -0.797 0.000 0.828 670 H N 2.866 121.571 119.070 -0.609 0.000 2.727 670 H HA 0.340 4.896 4.556 -0.001 0.000 0.330 670 H C -0.473 174.659 175.328 -0.326 0.000 0.986 670 H CA -0.304 55.519 56.048 -0.375 0.000 1.251 670 H CB 0.624 30.254 29.762 -0.219 0.000 1.493 670 H HN 0.281 nan 8.280 nan 0.000 0.515 671 F N 1.905 121.989 119.950 0.223 0.000 2.421 671 F HA 0.418 4.944 4.527 -0.001 0.000 0.337 671 F C 0.311 176.282 175.800 0.285 0.000 1.105 671 F CA -0.772 57.397 58.000 0.282 0.000 1.049 671 F CB 1.588 40.830 39.000 0.404 0.000 1.139 671 F HN 0.089 nan 8.300 nan 0.000 0.479 672 V N 3.974 124.126 119.914 0.397 0.000 2.524 672 V HA 0.518 4.638 4.120 -0.001 0.000 0.297 672 V C -0.734 175.449 176.094 0.148 0.000 1.035 672 V CA -0.897 61.547 62.300 0.241 0.000 0.867 672 V CB 1.659 33.566 31.823 0.139 0.000 1.004 672 V HN 0.503 nan 8.190 nan 0.000 0.426 673 R N 2.546 123.083 120.500 0.060 0.000 2.288 673 R HA 0.554 4.894 4.340 -0.001 0.000 0.326 673 R C -0.793 175.482 176.300 -0.041 0.000 0.959 673 R CA -0.685 55.369 56.100 -0.076 0.000 0.834 673 R CB 1.127 31.236 30.300 -0.319 0.000 1.157 673 R HN 0.714 nan 8.270 nan 0.000 0.470 674 C N 4.368 123.653 119.300 -0.025 0.000 2.369 674 C HA 0.575 5.034 4.460 -0.001 0.000 0.358 674 C C 0.749 175.704 174.990 -0.058 0.000 1.274 674 C CA -0.613 58.393 59.018 -0.021 0.000 1.935 674 C CB -0.262 27.482 27.740 0.007 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.228 123.745 120.570 -0.090 0.000 2.740 675 I HA 0.518 4.687 4.170 -0.001 0.000 0.303 675 I C -0.259 175.772 176.117 -0.144 0.000 1.044 675 I CA -0.315 60.913 61.300 -0.120 0.000 1.064 675 I CB 1.474 39.379 38.000 -0.159 0.000 1.249 675 I HN 0.577 nan 8.210 nan 0.000 0.433 676 I N 7.489 127.994 120.570 -0.109 0.000 2.420 676 I HA 0.361 4.531 4.170 -0.001 0.000 0.282 676 I C -1.916 174.161 176.117 -0.066 0.000 1.019 676 I CA -2.351 58.904 61.300 -0.075 0.000 1.130 676 I CB 2.065 40.074 38.000 0.016 0.000 1.262 676 I HN 0.378 nan 8.210 nan 0.000 0.454 677 P HA -0.105 nan 4.420 nan 0.000 0.211 677 P C -0.822 176.503 177.300 0.042 0.000 1.179 677 P CA 1.299 64.345 63.100 -0.090 0.000 0.910 677 P CB -0.072 31.581 31.700 -0.079 0.000 0.785 678 N N -2.433 116.363 118.700 0.160 0.000 2.287 678 N HA 0.193 4.932 4.740 -0.001 0.000 0.289 678 N C 0.166 175.740 175.510 0.108 0.000 1.066 678 N CA -0.781 52.337 53.050 0.113 0.000 0.841 678 N CB 1.040 39.593 38.487 0.110 0.000 1.599 678 N HN -0.187 nan 8.380 nan 0.000 0.476 679 E N -0.119 120.110 120.200 0.049 0.000 2.219 679 E HA -0.170 4.180 4.350 -0.001 0.000 0.198 679 E C 0.572 177.163 176.600 -0.014 0.000 0.998 679 E CA 1.620 58.034 56.400 0.023 0.000 0.818 679 E CB -0.101 29.602 29.700 0.006 0.000 0.741 679 E HN 0.836 nan 8.360 nan 0.000 0.477 683 P HA 0.403 nan 4.420 nan 0.000 0.272 683 P C 1.099 178.545 177.300 0.244 0.000 1.230 683 P CA 0.651 63.986 63.100 0.392 0.000 0.788 683 P CB 0.278 32.196 31.700 0.365 0.000 0.949 684 G N -0.407 108.350 108.800 -0.072 0.000 2.187 684 G HA2 -0.055 3.904 3.960 -0.001 0.000 0.261 684 G HA3 -0.055 3.904 3.960 -0.001 0.000 0.261 684 G C 0.265 175.030 174.900 -0.225 0.000 1.000 684 G CA 0.368 45.084 45.100 -0.640 0.000 0.718 684 G HN 0.899 nan 8.290 nan 0.000 0.519 685 A N -1.242 121.710 122.820 0.220 0.000 2.430 685 A HA 0.990 5.310 4.320 -0.001 0.000 0.300 685 A C -0.446 177.326 177.584 0.314 0.000 1.124 685 A CA -0.058 52.120 52.037 0.236 0.000 0.766 685 A CB 1.860 20.942 19.000 0.137 0.000 1.328 685 A HN 1.343 nan 8.150 nan 0.000 0.424 686 M N 1.104 120.789 119.600 0.142 0.000 2.255 686 M HA 0.327 4.807 4.480 -0.001 0.000 0.275 686 M C -1.512 174.804 176.300 0.026 0.000 1.050 686 M CA 0.084 55.426 55.300 0.070 0.000 0.978 686 M CB 1.713 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 3.100 123.305 120.200 0.010 0.000 2.331 687 E HA 0.202 4.552 4.350 -0.001 0.000 0.272 687 E C -0.030 176.608 176.600 0.063 0.000 1.036 687 E CA -0.350 56.031 56.400 -0.031 0.000 0.864 687 E CB 0.975 30.656 29.700 -0.031 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.945 120.972 119.070 -0.073 0.000 2.312 688 H HA -0.155 4.400 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 0.981 56.977 56.048 -0.088 0.000 1.227 688 H CB 0.192 29.900 29.762 -0.089 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 0.150 0.000 2.273 689 E HA -0.206 4.144 4.350 -0.001 0.000 0.198 689 E C 2.206 178.897 176.600 0.152 0.000 1.002 689 E CA 0.883 57.357 56.400 0.122 0.000 0.828 689 E CB -0.115 29.644 29.700 0.097 0.000 0.747 689 E HN 0.377 nan 8.360 nan 0.000 0.491 690 L N 0.072 121.344 121.223 0.082 0.000 2.044 690 L HA -0.130 4.210 4.340 -0.001 0.000 0.205 690 L C 2.320 179.224 176.870 0.056 0.000 1.075 690 L CA 1.067 55.936 54.840 0.048 0.000 0.747 690 L CB -0.134 41.930 42.059 0.008 0.000 0.903 690 L HN -0.033 nan 8.230 nan 0.000 0.435 691 V N 0.014 119.941 119.914 0.021 0.000 2.427 691 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 691 V C 2.554 178.635 176.094 -0.022 0.000 1.051 691 V CA 1.772 64.055 62.300 -0.029 0.000 1.048 691 V CB -0.605 31.170 31.823 -0.080 0.000 0.666 691 V HN 0.425 nan 8.190 nan 0.000 0.456 692 L N -0.733 120.491 121.223 0.001 0.000 2.013 692 L HA -0.262 4.077 4.340 -0.001 0.000 0.212 692 L C 2.584 179.421 176.870 -0.055 0.000 1.073 692 L CA 2.003 56.827 54.840 -0.026 0.000 0.753 692 L CB -0.685 41.376 42.059 0.004 0.000 0.890 692 L HN 0.390 nan 8.230 nan 0.000 0.432 693 H N -0.093 118.952 119.070 -0.041 0.000 2.251 693 H HA -0.235 4.320 4.556 -0.001 0.000 0.294 693 H C 2.422 177.716 175.328 -0.057 0.000 1.078 693 H CA 2.228 58.251 56.048 -0.043 0.000 1.246 693 H CB -0.120 29.620 29.762 -0.037 0.000 1.358 693 H HN 0.349 nan 8.280 nan 0.000 0.488 694 Q N -0.341 119.511 119.800 0.087 0.000 2.112 694 Q HA -0.192 4.147 4.340 -0.001 0.000 0.206 694 Q C 2.259 178.217 176.000 -0.070 0.000 0.987 694 Q CA 1.498 57.302 55.803 0.002 0.000 0.858 694 Q CB -0.352 28.371 28.738 -0.024 0.000 0.905 694 Q HN 0.320 nan 8.270 nan 0.000 0.420 695 L N 0.932 122.100 121.223 -0.090 0.000 2.127 695 L HA -0.190 4.150 4.340 -0.001 0.000 0.211 695 L C 2.400 179.193 176.870 -0.129 0.000 1.089 695 L CA 1.761 56.523 54.840 -0.129 0.000 0.757 695 L CB -0.419 41.569 42.059 -0.118 0.000 0.899 695 L HN 0.170 nan 8.230 nan 0.000 0.434 696 R N -2.085 118.345 120.500 -0.117 0.000 2.075 696 R HA -0.028 4.312 4.340 -0.001 0.000 0.226 696 R C 2.135 178.400 176.300 -0.058 0.000 1.114 696 R CA 1.497 57.535 56.100 -0.103 0.000 0.972 696 R CB -0.857 29.352 30.300 -0.152 0.000 0.869 696 R HN 0.327 nan 8.270 nan 0.000 0.437 697 C N 0.678 119.935 119.300 -0.071 0.000 2.539 697 C HA 0.104 4.563 4.460 -0.001 0.000 0.268 697 C C 1.963 176.961 174.990 0.014 0.000 1.395 697 C CA 0.034 59.027 59.018 -0.042 0.000 1.757 697 C CB -1.449 26.285 27.740 -0.010 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 -0.095 0.000 2.173 698 N HA 0.104 4.843 4.740 -0.001 0.000 0.184 698 N C 1.667 176.961 175.510 -0.360 0.000 1.025 698 N CA 1.289 54.205 53.050 -0.224 0.000 0.852 698 N CB 0.026 38.303 38.487 -0.351 0.000 0.998 698 N HN 0.551 nan 8.380 nan 0.000 0.427 699 G N -0.729 107.862 108.800 -0.348 0.000 2.255 699 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.196 699 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.196 699 G C 0.853 175.604 174.900 -0.248 0.000 0.998 699 G CA 0.173 45.041 45.100 -0.386 0.000 0.656 699 G HN 0.150 nan 8.290 nan 0.000 0.490 700 V N 0.753 120.432 119.914 -0.391 0.000 2.287 700 V HA -0.112 4.007 4.120 -0.001 0.000 0.248 700 V C 2.697 178.801 176.094 0.015 0.000 1.053 700 V CA 2.318 64.536 62.300 -0.137 0.000 1.027 700 V CB -0.307 31.360 31.823 -0.260 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.668 120.518 121.223 -0.061 0.000 2.376 701 L HA -0.013 4.327 4.340 -0.001 0.000 0.219 701 L C 2.260 179.119 176.870 -0.018 0.000 1.133 701 L CA 1.537 56.352 54.840 -0.041 0.000 0.816 701 L CB -0.791 41.230 42.059 -0.063 0.000 0.933 701 L HN 0.350 nan 8.230 nan 0.000 0.449 702 E N -1.125 119.067 120.200 -0.014 0.000 2.318 702 E HA 0.008 4.357 4.350 -0.001 0.000 0.193 702 E C 1.962 178.581 176.600 0.032 0.000 0.998 702 E CA 0.693 57.089 56.400 -0.007 0.000 0.859 702 E CB 0.239 29.910 29.700 -0.047 0.000 0.812 702 E HN 0.482 nan 8.360 nan 0.000 0.492 703 G N 0.732 109.604 108.800 0.121 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 1.484 176.400 174.900 0.027 0.000 1.138 703 G CA 0.040 45.232 45.100 0.154 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.331 120.915 120.570 0.024 0.000 2.286 704 I HA 0.112 4.282 4.170 -0.001 0.000 0.245 704 I C 2.696 178.782 176.117 -0.053 0.000 1.104 704 I CA 0.520 61.809 61.300 -0.019 0.000 1.397 704 I CB -0.332 37.656 38.000 -0.020 0.000 1.072 704 I HN -0.028 nan 8.210 nan 0.000 0.417 705 R N 0.438 120.909 120.500 -0.049 0.000 2.103 705 R HA -0.135 4.205 4.340 -0.001 0.000 0.234 705 R C 2.263 178.504 176.300 -0.098 0.000 1.132 705 R CA 1.843 57.909 56.100 -0.056 0.000 0.925 705 R CB -0.613 29.665 30.300 -0.036 0.000 0.842 705 R HN 0.249 nan 8.270 nan 0.000 0.430 706 I N -0.319 120.142 120.570 -0.181 0.000 2.423 706 I HA -0.383 3.786 4.170 -0.001 0.000 0.254 706 I C 2.189 178.142 176.117 -0.274 0.000 1.151 706 I CA 0.830 61.896 61.300 -0.391 0.000 1.421 706 I CB -0.223 37.382 38.000 -0.658 0.000 1.079 706 I HN 0.370 nan 8.210 nan 0.000 0.431 707 C N 0.579 119.787 119.300 -0.153 0.000 2.500 707 C HA -0.110 4.350 4.460 -0.001 0.000 0.279 707 C C 2.814 177.766 174.990 -0.064 0.000 1.288 707 C CA 0.679 59.653 59.018 -0.074 0.000 1.710 707 C CB -0.887 26.821 27.740 -0.054 0.000 2.052 707 C HN 0.515 nan 8.230 nan 0.000 0.488 708 R N 0.841 121.291 120.500 -0.084 0.000 2.369 708 R HA -0.009 4.330 4.340 -0.001 0.000 0.200 708 R C 0.851 177.100 176.300 -0.086 0.000 1.046 708 R CA 1.018 57.059 56.100 -0.098 0.000 1.057 708 R CB -0.394 29.845 30.300 -0.101 0.000 0.888 708 R HN 0.428 nan 8.270 nan 0.000 0.474 709 K N 0.527 120.896 120.400 -0.052 0.000 2.675 709 K HA 0.221 4.541 4.320 -0.001 0.000 0.213 709 K C -0.131 176.475 176.600 0.010 0.000 1.074 709 K CA 0.054 56.358 56.287 0.028 0.000 1.172 709 K CB 1.321 33.895 32.500 0.123 0.000 0.927 709 K HN 0.484 nan 8.250 nan 0.000 0.471 710 G N 0.127 108.735 108.800 -0.320 0.000 2.609 710 G HA2 0.097 4.057 3.960 -0.001 0.000 0.082 710 G HA3 0.097 4.057 3.960 -0.001 0.000 0.082 710 G C -1.621 172.900 174.900 -0.631 0.000 1.075 710 G CA -0.789 44.069 45.100 -0.403 0.000 1.172 710 G HN 0.080 nan 8.290 nan 0.000 0.532 711 F N 2.932 122.887 119.950 0.007 0.000 2.363 711 F HA 0.458 4.984 4.527 -0.001 0.000 0.366 711 F C -1.490 174.348 175.800 0.064 0.000 1.083 711 F CA -1.586 56.465 58.000 0.085 0.000 1.176 711 F CB 2.072 41.249 39.000 0.296 0.000 1.432 711 F HN 0.088 nan 8.300 nan 0.000 0.482 712 P HA -0.137 nan 4.420 nan 0.000 0.203 712 P C 0.113 177.401 177.300 -0.021 0.000 0.967 712 P CA 0.996 64.083 63.100 -0.021 0.000 0.946 712 P CB -0.262 31.382 31.700 -0.094 0.000 0.690 713 S N 1.265 116.948 115.700 -0.028 0.000 2.544 713 S HA 0.128 4.597 4.470 -0.001 0.000 0.290 713 S C 0.342 174.911 174.600 -0.051 0.000 1.276 713 S CA -0.228 57.947 58.200 -0.041 0.000 1.075 713 S CB -0.522 62.660 63.200 -0.030 0.000 0.849 713 S HN 0.179 nan 8.310 nan 0.000 0.494 714 R N 1.342 121.724 120.500 -0.196 0.000 2.473 714 R HA 0.525 4.865 4.340 -0.001 0.000 0.303 714 R C -1.676 174.456 176.300 -0.281 0.000 1.002 714 R CA -0.820 55.005 56.100 -0.459 0.000 0.884 714 R CB 0.787 30.474 30.300 -1.022 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.476 124.288 119.914 -0.170 0.000 2.465 715 V HA 0.221 4.340 4.120 -0.001 0.000 0.279 715 V C 0.368 176.334 176.094 -0.214 0.000 1.045 715 V CA -0.838 61.430 62.300 -0.054 0.000 0.938 715 V CB 1.504 33.453 31.823 0.210 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.444 125.611 121.223 -0.094 0.000 2.380 716 L HA 0.258 4.598 4.340 -0.001 0.000 0.273 716 L C 0.863 177.773 176.870 0.067 0.000 1.138 716 L CA 0.233 55.023 54.840 -0.084 0.000 0.832 716 L CB 0.579 42.627 42.059 -0.018 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.309 123.675 120.300 0.110 0.000 2.062 717 Y HA -0.378 4.171 4.550 -0.001 0.000 0.276 717 Y C 2.228 178.245 175.900 0.195 0.000 1.189 717 Y CA 2.101 60.294 58.100 0.155 0.000 1.130 717 Y CB -0.862 37.657 38.460 0.099 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.166 122.827 122.820 0.288 0.000 1.898 718 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 718 A C 1.815 179.496 177.584 0.160 0.000 1.181 718 A CA 1.912 54.052 52.037 0.171 0.000 0.620 718 A CB -0.931 18.145 19.000 0.126 0.000 0.819 718 A HN 0.447 nan 8.150 nan 0.000 0.442 719 D N -1.791 118.722 120.400 0.188 0.000 2.311 719 D HA -0.097 4.542 4.640 -0.001 0.000 0.212 719 D C 1.297 177.730 176.300 0.221 0.000 0.972 719 D CA 0.994 55.097 54.000 0.171 0.000 0.887 719 D CB -0.158 40.746 40.800 0.173 0.000 0.915 719 D HN 0.521 nan 8.370 nan 0.000 0.497 720 F N 0.462 120.503 119.950 0.151 0.000 2.446 720 F HA 0.191 4.718 4.527 -0.001 0.000 0.292 720 F C 1.911 177.848 175.800 0.229 0.000 1.096 720 F CA 0.565 58.696 58.000 0.218 0.000 1.438 720 F CB 0.209 39.322 39.000 0.189 0.000 1.107 720 F HN -0.305 nan 8.300 nan 0.000 0.546 721 K N 0.406 120.915 120.400 0.182 0.000 1.963 721 K HA -0.268 4.051 4.320 -0.001 0.000 0.216 721 K C 2.169 178.719 176.600 -0.083 0.000 1.045 721 K CA 1.893 58.191 56.287 0.019 0.000 0.954 721 K CB -0.529 31.933 32.500 -0.064 0.000 0.732 721 K HN 0.296 nan 8.250 nan 0.000 0.442 722 Q N 0.705 120.458 119.800 -0.078 0.000 2.045 722 Q HA -0.309 4.030 4.340 -0.001 0.000 0.215 722 Q C 2.057 177.973 176.000 -0.139 0.000 1.026 722 Q CA 2.295 58.048 55.803 -0.083 0.000 0.885 722 Q CB -0.226 28.484 28.738 -0.048 0.000 0.984 722 Q HN 0.176 nan 8.270 nan 0.000 0.414 723 R N -1.391 118.983 120.500 -0.209 0.000 2.152 723 R HA -0.126 4.214 4.340 -0.001 0.000 0.232 723 R C 0.930 176.804 176.300 -0.710 0.000 1.117 723 R CA 1.601 57.423 56.100 -0.463 0.000 0.981 723 R CB 0.095 30.045 30.300 -0.584 0.000 0.870 723 R HN 0.526 nan 8.270 nan 0.000 0.451 724 Y N -1.798 118.302 120.300 -0.332 0.000 2.527 724 Y HA 0.233 4.783 4.550 -0.001 0.000 0.247 724 Y C 1.822 177.601 175.900 -0.202 0.000 1.138 724 Y CA -0.509 57.388 58.100 -0.337 0.000 1.228 724 Y CB 0.123 38.214 38.460 -0.615 0.000 1.252 724 Y HN -0.140 nan 8.280 nan 0.000 0.531 725 R N 0.691 121.177 120.500 -0.022 0.000 2.134 725 R HA -0.210 4.130 4.340 -0.001 0.000 0.248 725 R C 1.577 177.916 176.300 0.064 0.000 1.143 725 R CA 2.275 58.404 56.100 0.049 0.000 0.957 725 R CB -0.601 29.747 30.300 0.080 0.000 0.867 725 R HN 0.212 nan 8.270 nan 0.000 0.441 726 V N 1.369 121.299 119.914 0.027 0.000 2.764 726 V HA -0.254 3.866 4.120 -0.001 0.000 0.261 726 V C 2.166 178.277 176.094 0.029 0.000 1.108 726 V CA 1.516 63.827 62.300 0.019 0.000 1.129 726 V CB -0.470 31.338 31.823 -0.025 0.000 0.701 726 V HN 0.333 nan 8.190 nan 0.000 0.495 727 L N -0.617 120.633 121.223 0.045 0.000 2.179 727 L HA 0.025 4.364 4.340 -0.001 0.000 0.208 727 L C 1.633 178.539 176.870 0.059 0.000 1.096 727 L CA 1.473 56.346 54.840 0.055 0.000 0.779 727 L CB -0.116 41.988 42.059 0.075 0.000 0.922 727 L HN 0.370 nan 8.230 nan 0.000 0.443 728 N N -1.286 117.456 118.700 0.071 0.000 2.595 728 N HA 0.149 4.888 4.740 -0.001 0.000 0.291 728 N C 1.101 176.659 175.510 0.079 0.000 1.706 728 N CA 0.545 53.639 53.050 0.073 0.000 0.867 728 N CB 0.689 39.228 38.487 0.086 0.000 1.414 728 N HN 0.121 nan 8.380 nan 0.000 0.492 729 A N 0.744 123.607 122.820 0.072 0.000 1.836 729 A HA -0.418 3.902 4.320 -0.001 0.000 0.269 729 A C 2.214 179.853 177.584 0.092 0.000 2.597 729 A CA 3.120 55.203 52.037 0.077 0.000 0.810 729 A CB -1.383 17.648 19.000 0.052 0.000 0.833 729 A HN 0.609 nan 8.150 nan 0.000 0.542 730 S N -0.409 115.332 115.700 0.068 0.000 2.348 730 S HA 0.097 4.566 4.470 -0.001 0.000 0.221 730 S C 2.102 176.753 174.600 0.084 0.000 1.033 730 S CA 1.844 60.079 58.200 0.058 0.000 1.010 730 S CB -0.918 62.306 63.200 0.040 0.000 0.891 730 S HN 1.507 nan 8.310 nan 0.000 0.442 731 A N 0.869 123.743 122.820 0.090 0.000 2.072 731 A HA 0.386 4.706 4.320 -0.001 0.000 0.216 731 A C 2.128 179.791 177.584 0.132 0.000 1.156 731 A CA 0.544 52.642 52.037 0.101 0.000 0.701 731 A CB -0.540 18.514 19.000 0.090 0.000 0.816 731 A HN 0.560 nan 8.150 nan 0.000 0.458 732 I N -0.018 120.638 120.570 0.144 0.000 2.585 732 I HA -0.039 4.130 4.170 -0.001 0.000 0.254 732 I C -0.736 175.506 176.117 0.207 0.000 1.129 732 I CA 0.436 61.835 61.300 0.165 0.000 1.455 732 I CB -0.744 37.342 38.000 0.143 0.000 1.111 732 I HN 0.171 nan 8.210 nan 0.000 0.433 733 P HA -0.137 nan 4.420 nan 0.000 0.216 733 P C 1.282 179.071 177.300 0.815 0.000 1.153 733 P CA 1.464 64.943 63.100 0.631 0.000 0.844 733 P CB -0.036 31.968 31.700 0.505 0.000 0.787 734 E N -0.289 120.139 120.200 0.380 0.000 2.085 734 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 734 E C 2.356 179.116 176.600 0.266 0.000 0.994 734 E CA 1.406 57.969 56.400 0.271 0.000 0.801 734 E CB -0.954 28.822 29.700 0.127 0.000 0.743 734 E HN 0.261 nan 8.360 nan 0.000 0.453 735 G N 1.109 110.029 108.800 0.202 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 1.437 176.394 174.900 0.096 0.000 1.171 735 G CA 0.640 45.818 45.100 0.130 0.000 0.775 735 G HN 0.196 nan 8.290 nan 0.000 0.543 736 Q N -0.638 119.202 119.800 0.067 0.000 2.119 736 Q HA -0.008 4.332 4.340 -0.001 0.000 0.201 736 Q C 2.310 178.192 176.000 -0.197 0.000 0.972 736 Q CA 1.049 56.785 55.803 -0.111 0.000 0.847 736 Q CB -0.190 28.366 28.738 -0.303 0.000 0.903 736 Q HN 0.597 nan 8.270 nan 0.000 0.433 737 F N -0.305 119.672 119.950 0.045 0.000 2.234 737 F HA -0.075 4.452 4.527 -0.001 0.000 0.296 737 F C 2.188 177.998 175.800 0.017 0.000 1.089 737 F CA 0.593 58.612 58.000 0.031 0.000 1.343 737 F CB -0.126 38.890 39.000 0.026 0.000 1.040 737 F HN 0.042 nan 8.300 nan 0.000 0.498 738 M N -0.727 118.998 119.600 0.209 0.000 2.254 738 M HA -0.003 4.476 4.480 -0.001 0.000 0.265 738 M C -0.277 176.051 176.300 0.046 0.000 1.066 738 M CA 1.216 56.582 55.300 0.109 0.000 1.123 738 M CB -0.871 31.785 32.600 0.094 0.000 1.388 738 M HN 0.013 nan 8.290 nan 0.000 0.425 739 D N -0.840 119.572 120.400 0.020 0.000 2.613 739 D HA 0.170 4.810 4.640 -0.001 0.000 0.230 739 D C 0.499 176.757 176.300 -0.070 0.000 1.365 739 D CA -0.005 53.976 54.000 -0.032 0.000 0.976 739 D CB 1.149 41.911 40.800 -0.063 0.000 1.415 739 D HN -0.082 nan 8.370 nan 0.000 0.589 740 S N 3.624 119.286 115.700 -0.063 0.000 2.409 740 S HA -0.297 4.173 4.470 -0.001 0.000 0.237 740 S C 1.520 176.032 174.600 -0.146 0.000 1.060 740 S CA 2.449 60.610 58.200 -0.065 0.000 1.052 740 S CB 0.041 63.225 63.200 -0.027 0.000 0.871 740 S HN 0.601 nan 8.310 nan 0.000 0.465 741 K N 0.256 120.479 120.400 -0.296 0.000 2.161 741 K HA 0.178 4.498 4.320 -0.001 0.000 0.205 741 K C 2.241 178.526 176.600 -0.526 0.000 1.035 741 K CA 0.591 56.413 56.287 -0.775 0.000 0.970 741 K CB -0.550 31.539 32.500 -0.685 0.000 0.866 741 K HN 0.167 nan 8.250 nan 0.000 0.461 742 K N 0.570 120.799 120.400 -0.284 0.000 2.228 742 K HA -0.211 4.109 4.320 -0.001 0.000 0.205 742 K C 1.828 178.378 176.600 -0.083 0.000 1.045 742 K CA 1.335 57.522 56.287 -0.167 0.000 0.931 742 K CB -0.257 32.180 32.500 -0.105 0.000 0.727 742 K HN 0.358 nan 8.250 nan 0.000 0.458 743 A N 0.761 123.546 122.820 -0.058 0.000 1.834 743 A HA -0.186 4.134 4.320 -0.001 0.000 0.216 743 A C 2.130 179.790 177.584 0.126 0.000 1.203 743 A CA 2.285 54.346 52.037 0.039 0.000 0.621 743 A CB -1.022 17.993 19.000 0.025 0.000 0.841 743 A HN 0.418 nan 8.150 nan 0.000 0.446 744 S N 0.013 115.828 115.700 0.192 0.000 2.407 744 S HA -0.232 4.237 4.470 -0.001 0.000 0.235 744 S C 1.833 176.646 174.600 0.354 0.000 1.036 744 S CA 1.478 59.919 58.200 0.401 0.000 1.013 744 S CB -0.431 63.097 63.200 0.548 0.000 0.820 744 S HN 0.582 nan 8.310 nan 0.000 0.476 745 E N 1.246 121.587 120.200 0.235 0.000 2.001 745 E HA -0.166 4.183 4.350 -0.001 0.000 0.195 745 E C 2.178 178.883 176.600 0.174 0.000 1.002 745 E CA 1.204 57.708 56.400 0.172 0.000 0.819 745 E CB -0.258 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 0.960 121.419 120.400 0.098 0.000 2.089 746 K HA -0.172 4.148 4.320 -0.001 0.000 0.210 746 K C 2.272 178.969 176.600 0.162 0.000 1.048 746 K CA 1.018 57.370 56.287 0.108 0.000 0.926 746 K CB -0.594 31.955 32.500 0.081 0.000 0.714 746 K HN 0.076 nan 8.250 nan 0.000 0.448 747 L N 0.109 121.453 121.223 0.202 0.000 1.990 747 L HA -0.215 4.124 4.340 -0.001 0.000 0.213 747 L C 1.759 178.753 176.870 0.206 0.000 1.072 747 L CA 1.392 56.361 54.840 0.215 0.000 0.755 747 L CB -0.236 41.986 42.059 0.272 0.000 0.889 747 L HN 0.183 nan 8.230 nan 0.000 0.432 748 L N 0.059 121.418 121.223 0.226 0.000 2.651 748 L HA -0.151 4.188 4.340 -0.001 0.000 0.236 748 L C 2.366 179.370 176.870 0.222 0.000 1.173 748 L CA 1.056 55.975 54.840 0.131 0.000 0.843 748 L CB -1.170 40.866 42.059 -0.039 0.000 0.964 748 L HN 0.365 nan 8.230 nan 0.000 0.454 749 G N -0.385 108.568 108.800 0.255 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 0.969 176.046 174.900 0.296 0.000 1.160 749 G CA 0.724 45.986 45.100 0.270 0.000 0.767 749 G HN 0.490 nan 8.290 nan 0.000 0.571 750 G N -1.671 107.254 108.800 0.209 0.000 2.547 750 G HA2 0.620 4.579 3.960 -0.001 0.000 0.291 750 G HA3 0.620 4.579 3.960 -0.001 0.000 0.291 750 G C 0.179 175.184 174.900 0.175 0.000 1.211 750 G CA 0.208 45.416 45.100 0.181 0.000 0.950 750 G HN 1.476 nan 8.290 nan 0.000 0.504 751 G N -0.674 108.217 108.800 0.152 0.000 2.770 751 G HA2 0.165 4.125 3.960 -0.001 0.000 0.686 751 G HA3 0.165 4.125 3.960 -0.001 0.000 0.686 751 G C -0.254 174.752 174.900 0.176 0.000 1.180 751 G CA 0.212 45.386 45.100 0.124 0.000 0.767 751 G HN 1.139 nan 8.290 nan 0.000 0.646 752 D N -0.089 120.388 120.400 0.129 0.000 2.870 752 D HA 0.339 4.979 4.640 -0.001 0.000 0.241 752 D C 1.082 177.471 176.300 0.149 0.000 1.234 752 D CA 0.301 54.385 54.000 0.140 0.000 0.844 752 D CB -0.036 40.820 40.800 0.094 0.000 1.051 752 D HN 0.750 nan 8.370 nan 0.000 0.469 753 V N -1.791 118.229 119.914 0.176 0.000 2.644 753 V HA 0.291 4.410 4.120 -0.001 0.000 0.295 753 V C 0.737 176.985 176.094 0.257 0.000 1.053 753 V CA -1.125 61.258 62.300 0.138 0.000 0.987 753 V CB 1.455 33.283 31.823 0.008 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.656 122.190 120.400 0.224 0.000 2.349 754 D HA 0.056 4.696 4.640 -0.001 0.000 0.266 754 D C 0.470 176.976 176.300 0.344 0.000 1.293 754 D CA 0.223 54.376 54.000 0.255 0.000 0.926 754 D CB 0.471 41.368 40.800 0.162 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.079 120.264 119.070 0.193 0.000 2.556 755 H HA 0.011 4.567 4.556 -0.001 0.000 0.273 755 H C 1.478 176.542 175.328 -0.439 0.000 1.030 755 H CA 0.411 56.495 56.048 0.060 0.000 1.156 755 H CB 0.335 30.194 29.762 0.161 0.000 1.326 755 H HN 0.258 nan 8.280 nan 0.000 0.609 756 T N -0.216 114.262 114.554 -0.126 0.000 2.914 756 T HA -0.093 4.257 4.350 -0.001 0.000 0.240 756 T C 1.791 176.422 174.700 -0.115 0.000 1.025 756 T CA 0.249 62.275 62.100 -0.124 0.000 1.198 756 T CB 0.032 68.901 68.868 0.003 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.212 121.051 119.800 0.065 0.000 2.480 757 Q HA -0.145 4.194 4.340 -0.001 0.000 0.217 757 Q C 0.265 176.473 176.000 0.348 0.000 0.993 757 Q CA 1.297 57.237 55.803 0.228 0.000 0.908 757 Q CB -0.873 28.012 28.738 0.245 0.000 0.927 757 Q HN 0.790 nan 8.270 nan 0.000 0.471 758 Y N -2.469 117.806 120.300 -0.041 0.000 2.686 758 Y HA 0.805 5.355 4.550 -0.001 0.000 0.330 758 Y C -0.557 175.014 175.900 -0.549 0.000 1.082 758 Y CA -2.002 55.844 58.100 -0.424 0.000 1.158 758 Y CB 1.044 38.952 38.460 -0.920 0.000 1.333 758 Y HN -0.105 nan 8.280 nan 0.000 0.519 759 A N 0.759 123.189 122.820 -0.650 0.000 2.565 759 A HA 0.645 4.965 4.320 -0.001 0.000 0.298 759 A C -2.089 175.219 177.584 -0.459 0.000 1.062 759 A CA -0.792 50.932 52.037 -0.522 0.000 0.723 759 A CB 0.145 18.831 19.000 -0.523 0.000 1.282 759 A HN 0.561 nan 8.150 nan 0.000 0.400 760 F N 0.977 120.830 119.950 -0.161 0.000 2.450 760 F HA 0.889 5.416 4.527 -0.001 0.000 0.328 760 F C 1.093 176.859 175.800 -0.057 0.000 1.068 760 F CA -0.034 57.936 58.000 -0.050 0.000 1.007 760 F CB 2.082 41.127 39.000 0.075 0.000 1.251 760 F HN 0.970 nan 8.300 nan 0.000 0.492 761 G N -1.575 107.391 108.800 0.277 0.000 2.601 761 G HA2 0.284 4.244 3.960 -0.001 0.000 0.291 761 G HA3 0.284 4.244 3.960 -0.001 0.000 0.291 761 G C -0.344 174.733 174.900 0.294 0.000 1.456 761 G CA -0.687 44.489 45.100 0.126 0.000 0.804 761 G HN 0.805 nan 8.290 nan 0.000 0.499 762 H N -0.787 118.376 119.070 0.155 0.000 2.456 762 H HA -0.161 4.394 4.556 -0.001 0.000 0.288 762 H C 1.171 176.683 175.328 0.307 0.000 1.130 762 H CA 1.556 57.722 56.048 0.196 0.000 1.173 762 H CB -0.239 29.598 29.762 0.125 0.000 1.350 762 H HN 0.424 nan 8.280 nan 0.000 0.498 766 F N 2.687 122.205 119.950 -0.720 0.000 2.480 766 F HA 0.906 5.432 4.527 -0.001 0.000 0.329 766 F C -0.275 175.229 175.800 -0.493 0.000 1.091 766 F CA -0.590 57.123 58.000 -0.479 0.000 0.972 766 F CB 1.709 40.405 39.000 -0.507 0.000 1.150 766 F HN 0.312 nan 8.300 nan 0.000 0.467 770 G N -0.521 108.208 108.800 -0.119 0.000 3.155 770 G HA2 0.347 4.307 3.960 -0.001 0.000 0.213 770 G HA3 0.347 4.307 3.960 -0.001 0.000 0.213 770 G C 0.815 175.688 174.900 -0.046 0.000 1.196 770 G CA 1.182 46.255 45.100 -0.045 0.000 0.846 770 G HN 0.690 nan 8.290 nan 0.000 0.516 771 L N -0.621 120.558 121.223 -0.072 0.000 2.185 771 L HA 0.345 4.685 4.340 -0.001 0.000 0.198 771 L C 2.462 179.308 176.870 -0.040 0.000 1.079 771 L CA 0.675 55.472 54.840 -0.072 0.000 0.780 771 L CB -0.288 41.697 42.059 -0.124 0.000 0.955 771 L HN 0.101 nan 8.230 nan 0.000 0.462 772 L N 0.362 121.565 121.223 -0.032 0.000 2.129 772 L HA -0.152 4.188 4.340 -0.001 0.000 0.212 772 L C 2.383 179.275 176.870 0.036 0.000 1.087 772 L CA 2.009 56.863 54.840 0.023 0.000 0.757 772 L CB -1.561 40.547 42.059 0.082 0.000 0.896 772 L HN 0.423 nan 8.230 nan 0.000 0.434 773 G N -1.344 107.468 108.800 0.019 0.000 2.418 773 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.217 773 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.217 773 G C 1.681 176.595 174.900 0.023 0.000 1.158 773 G CA 0.769 45.884 45.100 0.025 0.000 0.771 773 G HN 0.318 nan 8.290 nan 0.000 0.545 774 L N -0.267 120.962 121.223 0.011 0.000 2.027 774 L HA 0.043 4.383 4.340 -0.001 0.000 0.206 774 L C 2.723 179.603 176.870 0.016 0.000 1.074 774 L CA 0.884 55.730 54.840 0.010 0.000 0.745 774 L CB -0.421 41.636 42.059 -0.004 0.000 0.898 774 L HN 0.097 nan 8.230 nan 0.000 0.433 775 L N -0.543 120.689 121.223 0.015 0.000 1.951 775 L HA -0.296 4.043 4.340 -0.001 0.000 0.222 775 L C 2.603 179.499 176.870 0.044 0.000 1.078 775 L CA 1.770 56.626 54.840 0.027 0.000 0.778 775 L CB -1.298 40.779 42.059 0.029 0.000 0.893 775 L HN 0.288 nan 8.230 nan 0.000 0.436 776 E N -0.375 119.860 120.200 0.057 0.000 2.136 776 E HA -0.324 4.025 4.350 -0.001 0.000 0.208 776 E C 2.107 178.738 176.600 0.052 0.000 1.035 776 E CA 1.746 58.185 56.400 0.066 0.000 0.838 776 E CB -0.320 29.416 29.700 0.060 0.000 0.748 776 E HN 0.661 nan 8.360 nan 0.000 0.459 777 E N 0.169 120.393 120.200 0.040 0.000 2.049 777 E HA -0.223 4.127 4.350 -0.001 0.000 0.198 777 E C 2.229 178.849 176.600 0.033 0.000 1.007 777 E CA 1.608 58.029 56.400 0.034 0.000 0.809 777 E CB -0.166 29.551 29.700 0.028 0.000 0.749 777 E HN 0.231 nan 8.360 nan 0.000 0.450 778 M N 0.245 119.863 119.600 0.031 0.000 2.108 778 M HA -0.191 4.289 4.480 -0.001 0.000 0.261 778 M C 2.714 179.035 176.300 0.034 0.000 1.066 778 M CA 1.777 57.094 55.300 0.028 0.000 1.107 778 M CB -0.384 32.230 32.600 0.024 0.000 1.356 778 M HN 0.124 nan 8.290 nan 0.000 0.406 779 R N 0.636 121.163 120.500 0.044 0.000 2.083 779 R HA -0.193 4.147 4.340 -0.001 0.000 0.237 779 R C 1.548 177.879 176.300 0.052 0.000 1.137 779 R CA 2.123 58.256 56.100 0.055 0.000 0.951 779 R CB -0.358 29.988 30.300 0.078 0.000 0.851 779 R HN 0.282 nan 8.270 nan 0.000 0.434 780 D N 0.868 121.298 120.400 0.050 0.000 2.126 780 D HA -0.138 4.502 4.640 -0.001 0.000 0.190 780 D C 0.272 176.594 176.300 0.037 0.000 1.001 780 D CA 1.289 55.316 54.000 0.045 0.000 0.841 780 D CB -0.574 40.250 40.800 0.040 0.000 0.949 780 D HN 0.280 nan 8.370 nan 0.000 0.446 784 A N 0.215 123.051 122.820 0.026 0.000 1.892 784 A HA -0.225 4.095 4.320 -0.001 0.000 0.218 784 A C 2.041 179.637 177.584 0.019 0.000 1.188 784 A CA 2.394 54.444 52.037 0.022 0.000 0.631 784 A CB -0.331 18.682 19.000 0.021 0.000 0.822 784 A HN 0.396 nan 8.150 nan 0.000 0.447 785 E N 0.166 120.377 120.200 0.018 0.000 2.007 785 E HA -0.116 4.233 4.350 -0.001 0.000 0.203 785 E C 0.987 177.595 176.600 0.015 0.000 1.020 785 E CA 0.863 57.272 56.400 0.015 0.000 0.845 785 E CB -0.440 29.269 29.700 0.015 0.000 0.779 785 E HN 0.614 nan 8.360 nan 0.000 0.466 786 I N 0.482 121.061 120.570 0.016 0.000 3.495 786 I HA -0.302 3.868 4.170 -0.001 0.000 0.273 786 I C 1.919 178.044 176.117 0.014 0.000 1.313 786 I CA 0.850 62.158 61.300 0.014 0.000 1.313 786 I CB -0.008 38.002 38.000 0.016 0.000 1.355 786 I HN 0.397 nan 8.210 nan 0.000 0.623 787 I N 0.146 120.721 120.570 0.008 0.000 4.541 787 I HA -0.546 3.623 4.170 -0.001 0.000 0.060 787 I C 2.016 178.139 176.117 0.010 0.000 0.612 787 I CA 2.254 63.559 61.300 0.009 0.000 0.871 787 I CB -1.263 36.745 38.000 0.013 0.000 0.792 787 I HN 0.804 nan 8.210 nan 0.000 0.167 788 T N 0.659 115.221 114.554 0.013 0.000 2.684 788 T HA -0.330 4.020 4.350 -0.001 0.000 0.267 788 T C 1.563 176.270 174.700 0.012 0.000 1.032 788 T CA 2.491 64.599 62.100 0.014 0.000 1.155 788 T CB -0.415 68.463 68.868 0.015 0.000 0.857 788 T HN 0.712 nan 8.240 nan 0.000 0.457 789 A N 0.558 123.383 122.820 0.009 0.000 1.929 789 A HA -0.051 4.268 4.320 -0.001 0.000 0.216 789 A C 2.527 180.114 177.584 0.004 0.000 1.176 789 A CA 1.809 53.850 52.037 0.007 0.000 0.628 789 A CB -0.843 18.160 19.000 0.005 0.000 0.816 789 A HN 0.473 nan 8.150 nan 0.000 0.444 790 T N -0.094 114.460 114.554 0.001 0.000 3.055 790 T HA -0.057 4.293 4.350 -0.001 0.000 0.265 790 T C 1.948 176.647 174.700 -0.002 0.000 1.111 790 T CA 1.169 63.265 62.100 -0.006 0.000 1.118 790 T CB -0.091 68.770 68.868 -0.012 0.000 0.909 790 T HN 0.564 nan 8.240 nan 0.000 0.501 791 Q N 0.935 120.740 119.800 0.007 0.000 1.969 791 Q HA 0.006 4.345 4.340 -0.001 0.000 0.198 791 Q C 2.837 178.851 176.000 0.024 0.000 0.978 791 Q CA 1.254 57.066 55.803 0.015 0.000 0.830 791 Q CB -0.438 28.311 28.738 0.018 0.000 0.896 791 Q HN 0.497 nan 8.270 nan 0.000 0.431 792 A N 1.938 124.772 122.820 0.023 0.000 1.887 792 A HA -0.391 3.929 4.320 -0.001 0.000 0.225 792 A C 2.051 179.661 177.584 0.043 0.000 1.464 792 A CA 2.697 54.751 52.037 0.029 0.000 0.717 792 A CB -0.979 18.034 19.000 0.022 0.000 0.848 792 A HN 0.319 nan 8.150 nan 0.000 0.477 793 R N -0.144 120.377 120.500 0.036 0.000 2.112 793 R HA -0.196 4.144 4.340 -0.001 0.000 0.242 793 R C 2.078 178.435 176.300 0.096 0.000 1.137 793 R CA 2.571 58.700 56.100 0.049 0.000 0.944 793 R CB -1.757 28.550 30.300 0.012 0.000 0.857 793 R HN 0.655 nan 8.270 nan 0.000 0.435 794 C N 0.344 119.677 119.300 0.055 0.000 2.359 794 C HA -0.128 4.331 4.460 -0.001 0.000 0.277 794 C C 2.627 177.728 174.990 0.186 0.000 1.192 794 C CA 1.363 60.436 59.018 0.092 0.000 1.759 794 C CB -1.112 26.649 27.740 0.035 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 0.109 0.000 2.115 795 R HA -0.150 4.189 4.340 -0.001 0.000 0.239 795 R C 2.425 178.783 176.300 0.096 0.000 1.133 795 R CA 2.100 58.253 56.100 0.088 0.000 0.935 795 R CB -1.301 29.032 30.300 0.054 0.000 0.853 795 R HN 0.688 nan 8.270 nan 0.000 0.433 796 G N 1.128 109.986 108.800 0.095 0.000 2.679 796 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.217 796 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.217 796 G C 1.256 176.220 174.900 0.106 0.000 1.267 796 G CA 1.015 46.164 45.100 0.081 0.000 0.799 796 G HN 0.388 nan 8.290 nan 0.000 0.606 797 F N 0.709 120.657 119.950 -0.002 0.000 2.176 797 F HA -0.165 4.362 4.527 -0.001 0.000 0.301 797 F C 2.305 178.109 175.800 0.007 0.000 1.071 797 F CA 1.508 59.508 58.000 0.001 0.000 1.289 797 F CB -0.214 38.788 39.000 0.002 0.000 1.028 797 F HN 0.088 nan 8.300 nan 0.000 0.494 798 L N -0.067 121.239 121.223 0.139 0.000 2.046 798 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 798 L C 2.468 179.263 176.870 -0.125 0.000 1.077 798 L CA 1.852 56.693 54.840 0.001 0.000 0.747 798 L CB -0.769 41.361 42.059 0.118 0.000 0.896 798 L HN 0.248 nan 8.230 nan 0.000 0.432 799 M N -1.884 117.678 119.600 -0.065 0.000 2.349 799 M HA -0.148 4.332 4.480 -0.001 0.000 0.266 799 M C 2.241 178.489 176.300 -0.087 0.000 1.076 799 M CA 0.892 56.160 55.300 -0.055 0.000 1.126 799 M CB -0.170 32.422 32.600 -0.013 0.000 1.392 799 M HN 0.145 nan 8.290 nan 0.000 0.440 800 R N -0.356 120.052 120.500 -0.154 0.000 2.200 800 R HA -0.108 4.232 4.340 -0.001 0.000 0.234 800 R C 1.680 177.869 176.300 -0.184 0.000 1.127 800 R CA 0.936 56.937 56.100 -0.165 0.000 0.989 800 R CB -0.014 30.180 30.300 -0.177 0.000 0.869 800 R HN 0.243 nan 8.270 nan 0.000 0.459 801 V N -0.239 119.504 119.914 -0.285 0.000 3.174 801 V HA -0.045 4.074 4.120 -0.001 0.000 0.254 801 V C 1.854 177.887 176.094 -0.103 0.000 1.120 801 V CA 0.880 63.040 62.300 -0.234 0.000 1.114 801 V CB 0.101 31.725 31.823 -0.333 0.000 0.756 801 V HN 0.128 nan 8.190 nan 0.000 0.467 802 E N -0.101 120.055 120.200 -0.073 0.000 2.072 802 E HA -0.169 4.180 4.350 -0.001 0.000 0.190 802 E C 1.963 178.572 176.600 0.016 0.000 0.982 802 E CA 1.152 57.534 56.400 -0.029 0.000 0.803 802 E CB -0.309 29.378 29.700 -0.021 0.000 0.755 802 E HN 0.689 nan 8.360 nan 0.000 0.453 803 Y N 1.271 121.519 120.300 -0.086 0.000 2.165 803 Y HA -0.207 4.343 4.550 -0.001 0.000 0.286 803 Y C 2.444 178.305 175.900 -0.066 0.000 1.155 803 Y CA 2.024 60.083 58.100 -0.069 0.000 1.164 803 Y CB -0.032 38.392 38.460 -0.059 0.000 0.978 803 Y HN -0.077 nan 8.280 nan 0.000 0.513 804 R N -0.321 120.240 120.500 0.102 0.000 2.200 804 R HA -0.143 4.197 4.340 -0.001 0.000 0.234 804 R C 2.124 178.401 176.300 -0.038 0.000 1.127 804 R CA 1.042 57.160 56.100 0.031 0.000 0.989 804 R CB -0.290 30.016 30.300 0.011 0.000 0.869 804 R HN 0.478 nan 8.270 nan 0.000 0.459 805 A N -0.181 122.604 122.820 -0.058 0.000 1.887 805 A HA -0.011 4.309 4.320 -0.001 0.000 0.210 805 A C 1.995 179.510 177.584 -0.115 0.000 1.221 805 A CA 0.524 52.517 52.037 -0.073 0.000 0.635 805 A CB -0.239 18.725 19.000 -0.060 0.000 0.881 805 A HN 0.193 nan 8.150 nan 0.000 0.456 806 M N -0.233 119.279 119.600 -0.147 0.000 2.143 806 M HA -0.196 4.283 4.480 -0.001 0.000 0.258 806 M C 2.029 178.178 176.300 -0.252 0.000 1.071 806 M CA 1.544 56.721 55.300 -0.206 0.000 1.088 806 M CB -0.586 31.859 32.600 -0.259 0.000 1.360 806 M HN 0.255 nan 8.290 nan 0.000 0.404 807 V N -0.049 119.711 119.914 -0.256 0.000 2.323 807 V HA -0.216 3.904 4.120 -0.001 0.000 0.244 807 V C 2.082 178.098 176.094 -0.130 0.000 1.041 807 V CA 1.827 63.991 62.300 -0.228 0.000 1.025 807 V CB -0.552 31.157 31.823 -0.191 0.000 0.656 807 V HN 0.441 nan 8.190 nan 0.000 0.451 808 E N -0.046 120.100 120.200 -0.090 0.000 2.033 808 E HA -0.280 4.070 4.350 -0.001 0.000 0.199 808 E C 2.448 179.002 176.600 -0.076 0.000 1.011 808 E CA 1.693 58.056 56.400 -0.061 0.000 0.815 808 E CB -0.220 29.452 29.700 -0.046 0.000 0.755 808 E HN 0.432 nan 8.360 nan 0.000 0.451 809 R N 0.411 120.851 120.500 -0.100 0.000 2.154 809 R HA -0.194 4.146 4.340 -0.001 0.000 0.248 809 R C 2.368 178.567 176.300 -0.170 0.000 1.155 809 R CA 0.995 57.022 56.100 -0.121 0.000 0.979 809 R CB -0.280 29.936 30.300 -0.139 0.000 0.869 809 R HN 0.129 nan 8.270 nan 0.000 0.452 810 R N 1.160 121.543 120.500 -0.194 0.000 2.227 810 R HA -0.283 4.057 4.340 -0.001 0.000 0.246 810 R C 2.103 178.204 176.300 -0.332 0.000 1.119 810 R CA 2.598 58.537 56.100 -0.268 0.000 0.930 810 R CB -0.352 29.851 30.300 -0.161 0.000 0.912 810 R HN 0.579 nan 8.270 nan 0.000 0.435 811 E N -1.266 118.878 120.200 -0.094 0.000 2.086 811 E HA -0.019 4.331 4.350 -0.001 0.000 0.190 811 E C 1.891 178.506 176.600 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 1.028 116.712 115.700 -0.027 0.000 2.440 812 S HA -0.126 4.344 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 1.095 59.282 58.200 -0.021 0.000 0.980 812 S CB -0.330 62.852 63.200 -0.030 0.000 0.775 812 S HN 0.287 nan 8.310 nan 0.000 0.499 813 I N -0.007 120.480 120.570 -0.137 0.000 2.141 813 I HA -0.147 4.023 4.170 -0.001 0.000 0.236 813 I C 1.903 177.949 176.117 -0.119 0.000 1.071 813 I CA 1.113 62.305 61.300 -0.180 0.000 1.345 813 I CB -0.576 37.231 38.000 -0.321 0.000 1.066 813 I HN 0.204 nan 8.210 nan 0.000 0.406 814 F N 1.147 121.002 119.950 -0.159 0.000 2.063 814 F HA -0.387 4.140 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 1.702 59.537 58.000 -0.274 0.000 1.220 814 F CB -1.494 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 0.886 120.302 119.300 0.192 0.000 2.393 815 C HA -0.220 4.240 4.460 -0.001 0.000 0.276 815 C C 2.908 177.955 174.990 0.096 0.000 1.215 815 C CA 1.295 60.403 59.018 0.150 0.000 1.743 815 C CB -1.331 26.471 27.740 0.103 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 -0.205 3.964 4.170 -0.001 0.000 0.242 816 I C 2.715 178.841 176.117 0.017 0.000 1.091 816 I CA 1.707 63.017 61.300 0.017 0.000 1.368 816 I CB -1.339 36.651 38.000 -0.017 0.000 1.058 816 I HN 0.557 nan 8.210 nan 0.000 0.410 817 Q N 0.401 120.181 119.800 -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 -0.081 0.000 0.868 817 Q CB -0.366 28.241 28.738 -0.218 0.000 0.946 817 Q HN 0.371 nan 8.270 nan 0.000 0.418 818 Y N 0.946 121.309 120.300 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 1.100 59.242 58.100 0.069 0.000 1.135 818 Y CB -0.914 37.573 38.460 0.045 0.000 0.970 818 Y HN 0.272 nan 8.280 nan 0.000 0.498 819 N N 0.110 118.951 118.700 0.234 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 1.761 54.909 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 1.269 121.266 119.914 0.139 0.000 2.283 820 V HA -0.141 3.979 4.120 -0.001 0.000 0.243 820 V C 2.420 178.648 176.094 0.223 0.000 1.039 820 V CA 1.232 63.624 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 0.269 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 2.593 178.980 176.300 0.146 0.000 1.143 821 R CA 1.959 58.153 56.100 0.157 0.000 0.957 821 R CB -0.708 29.689 30.300 0.161 0.000 0.867 821 R HN 0.452 nan 8.270 nan 0.000 0.441 822 S N 0.470 116.266 115.700 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 0.155 0.000 1.045 822 S CA 1.828 60.106 58.200 0.131 0.000 1.154 822 S CB -0.542 62.757 63.200 0.165 0.000 1.093 822 S HN 0.381 nan 8.310 nan 0.000 0.422 823 F N 2.036 122.037 119.950 0.084 0.000 2.085 823 F HA -0.239 4.287 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 1.855 59.918 58.000 0.106 0.000 1.227 823 F CB -0.352 38.709 39.000 0.102 0.000 0.983 823 F HN 0.183 nan 8.300 nan 0.000 0.482 824 M N -0.162 119.428 119.600 -0.016 0.000 2.346 824 M HA -0.213 4.267 4.480 -0.001 0.000 0.263 824 M C 1.458 177.674 176.300 -0.140 0.000 1.064 824 M CA 1.516 56.736 55.300 -0.133 0.000 1.083 824 M CB -1.102 31.528 32.600 0.050 0.000 1.399 824 M HN 0.288 nan 8.290 nan 0.000 0.435 825 N N -0.471 118.180 118.700 -0.082 0.000 2.368 825 N HA 0.045 4.785 4.740 -0.001 0.000 0.178 825 N C 0.653 176.134 175.510 -0.049 0.000 1.021 825 N CA 0.244 53.265 53.050 -0.049 0.000 0.875 825 N CB 0.351 38.807 38.487 -0.052 0.000 1.020 825 N HN -0.006 nan 8.380 nan 0.000 0.433 829 W N 5.983 127.342 121.300 0.098 0.000 2.388 829 W HA 0.298 4.957 4.660 -0.001 0.000 0.308 829 W C -1.529 175.026 176.519 0.059 0.000 1.263 829 W CA -2.302 55.093 57.345 0.084 0.000 1.286 829 W CB 0.607 30.114 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 1.183 178.141 177.300 -0.571 0.000 1.160 830 P CA 2.703 65.553 63.100 -0.418 0.000 0.933 830 P CB -0.236 31.114 31.700 -0.582 0.000 0.793 831 W N -1.361 119.418 121.300 -0.868 0.000 2.342 831 W HA -0.058 4.601 4.660 -0.001 0.000 0.297 831 W C 1.911 178.098 176.519 -0.553 0.000 1.213 831 W CA 0.088 56.905 57.345 -0.880 0.000 1.251 831 W CB -0.937 27.514 29.460 -1.682 0.000 1.136 831 W HN -0.003 nan 8.180 nan 0.000 0.526 835 F N 1.619 121.517 119.950 -0.088 0.000 2.147 835 F HA -0.106 4.421 4.527 -0.001 0.000 0.301 835 F C 1.077 176.932 175.800 0.091 0.000 1.084 835 F CA 1.097 59.070 58.000 -0.045 0.000 1.268 835 F CB -0.148 38.742 39.000 -0.183 0.000 1.009 835 F HN -0.053 nan 8.300 nan 0.000 0.486 841 L N 0.121 121.331 121.223 -0.023 0.000 2.450 841 L HA -0.079 4.261 4.340 -0.001 0.000 0.225 841 L C 0.931 177.798 176.870 -0.005 0.000 1.145 841 L CA 1.260 56.095 54.840 -0.010 0.000 0.801 841 L CB -0.952 41.106 42.059 -0.003 0.000 0.924 841 L HN 0.126 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 0.082 54.922 54.840 0.001 0.000 0.817 842 L CB 0.314 42.373 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