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 1o1e_1_J 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 0.000 176.324 176.300 0.040 0.000 2.045 4 D CA 0.000 54.016 54.000 0.027 0.000 0.868 4 D CB 0.000 40.811 40.800 0.018 0.000 0.688 5 A N 1.341 124.184 122.820 0.039 0.000 1.865 5 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 5 A C 1.867 179.481 177.584 0.050 0.000 1.191 5 A CA 2.134 54.195 52.037 0.040 0.000 0.623 5 A CB -0.655 18.368 19.000 0.038 0.000 0.826 5 A HN 0.297 nan 8.150 nan 0.000 0.444 6 E N -0.223 120.013 120.200 0.060 0.000 2.021 6 E HA -0.150 4.199 4.350 -0.001 0.000 0.200 6 E C 0.347 177.020 176.600 0.122 0.000 1.015 6 E CA 0.908 57.356 56.400 0.080 0.000 0.824 6 E CB -0.325 29.428 29.700 0.088 0.000 0.762 6 E HN 0.557 nan 8.360 nan 0.000 0.454 7 M N 0.081 119.776 119.600 0.158 0.000 2.390 7 M HA 0.043 4.523 4.480 -0.001 0.000 0.353 7 M C 0.361 176.767 176.300 0.177 0.000 1.623 7 M CA 0.459 55.916 55.300 0.263 0.000 1.065 7 M CB 0.682 33.385 32.600 0.172 0.000 2.025 7 M HN 0.222 nan 8.290 nan 0.000 0.461 8 A N 3.036 125.959 122.820 0.171 0.000 1.429 8 A HA 0.396 4.716 4.320 -0.001 0.000 0.212 8 A C 1.785 179.372 177.584 0.005 0.000 1.863 8 A CA 0.538 52.617 52.037 0.070 0.000 1.494 8 A CB -0.926 18.088 19.000 0.023 0.000 1.413 8 A HN 0.727 nan 8.150 nan 0.000 0.338 9 A N 0.251 122.982 122.820 -0.148 0.000 1.896 9 A HA -0.086 4.233 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 2.316 54.129 52.037 -0.373 0.000 0.647 9 A CB -1.044 17.519 19.000 -0.728 0.000 0.828 9 A HN 0.724 nan 8.150 nan 0.000 0.455 10 F N -1.140 118.802 119.950 -0.013 0.000 2.094 10 F HA 0.291 4.818 4.527 -0.000 0.000 0.291 10 F C 2.499 178.323 175.800 0.039 0.000 1.109 10 F CA 0.812 58.825 58.000 0.022 0.000 1.221 10 F CB -1.229 37.784 39.000 0.021 0.000 1.014 10 F HN 0.473 nan 8.300 nan 0.000 0.473 11 G N 0.472 109.452 108.800 0.300 0.000 3.773 11 G HA2 -0.529 3.431 3.960 -0.001 0.000 0.355 11 G HA3 -0.529 3.431 3.960 -0.001 0.000 0.355 11 G C 1.271 176.260 174.900 0.149 0.000 1.323 11 G CA 1.287 46.487 45.100 0.168 0.000 1.103 11 G HN 0.335 nan 8.290 nan 0.000 0.716 12 E N 1.050 121.341 120.200 0.152 0.000 2.160 12 E HA 0.203 4.553 4.350 -0.001 0.000 0.195 12 E C 2.857 179.579 176.600 0.204 0.000 0.991 12 E CA 1.965 58.460 56.400 0.158 0.000 0.810 12 E CB -0.381 29.419 29.700 0.167 0.000 0.742 12 E HN 0.759 nan 8.360 nan 0.000 0.466 13 A N 0.290 123.261 122.820 0.252 0.000 2.021 13 A HA 0.161 4.481 4.320 -0.001 0.000 0.216 13 A C 2.284 179.975 177.584 0.179 0.000 1.163 13 A CA 1.034 53.256 52.037 0.308 0.000 0.676 13 A CB -0.536 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 1.260 124.137 122.820 0.094 0.000 1.916 14 A HA -0.240 4.079 4.320 -0.001 0.000 0.224 14 A C 0.253 177.755 177.584 -0.138 0.000 1.366 14 A CA 2.470 54.468 52.037 -0.066 0.000 0.692 14 A CB -2.073 16.924 19.000 -0.004 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 0.526 177.589 177.300 -0.395 0.000 1.144 15 P CA 1.378 64.255 63.100 -0.371 0.000 0.800 15 P CB -0.255 31.121 31.700 -0.541 0.000 0.772 16 Y N -2.429 117.872 120.300 0.003 0.000 2.462 16 Y HA 0.145 4.694 4.550 -0.001 0.000 0.261 16 Y C 1.952 177.835 175.900 -0.028 0.000 1.146 16 Y CA 0.031 58.136 58.100 0.007 0.000 1.283 16 Y CB -0.320 38.137 38.460 -0.005 0.000 1.090 16 Y HN -0.167 nan 8.280 nan 0.000 0.526 17 L N -1.091 120.148 121.223 0.027 0.000 2.435 17 L HA 0.297 4.637 4.340 -0.001 0.000 0.195 17 L C 0.920 177.743 176.870 -0.080 0.000 1.072 17 L CA 0.807 55.615 54.840 -0.053 0.000 0.833 17 L CB -0.202 41.717 42.059 -0.234 0.000 1.081 17 L HN -0.086 nan 8.230 nan 0.000 0.485 21 E N 1.035 121.224 120.200 -0.018 0.000 2.516 21 E HA -0.134 4.215 4.350 -0.001 0.000 0.206 21 E C 1.173 177.761 176.600 -0.020 0.000 1.107 21 E CA 1.523 57.913 56.400 -0.016 0.000 0.903 21 E CB -0.175 29.523 29.700 -0.004 0.000 0.838 21 E HN 0.628 nan 8.360 nan 0.000 0.574 22 K N -2.189 118.198 120.400 -0.022 0.000 2.474 22 K HA 0.171 4.490 4.320 -0.001 0.000 0.204 22 K C 1.560 178.142 176.600 -0.030 0.000 1.220 22 K CA -0.131 56.141 56.287 -0.024 0.000 0.966 22 K CB 0.108 32.598 32.500 -0.017 0.000 1.049 22 K HN -0.110 nan 8.250 nan 0.000 0.554 23 E N 1.361 121.544 120.200 -0.028 0.000 2.153 23 E HA -0.071 4.279 4.350 -0.001 0.000 0.194 23 E C 1.829 178.406 176.600 -0.038 0.000 0.988 23 E CA 1.127 57.509 56.400 -0.030 0.000 0.811 23 E CB 0.138 29.821 29.700 -0.028 0.000 0.746 23 E HN 0.242 nan 8.360 nan 0.000 0.466 24 R N 0.238 120.713 120.500 -0.042 0.000 2.070 24 R HA -0.069 4.271 4.340 -0.001 0.000 0.227 24 R C 2.467 178.725 176.300 -0.070 0.000 1.147 24 R CA 1.261 57.329 56.100 -0.055 0.000 0.924 24 R CB -0.459 29.810 30.300 -0.051 0.000 0.827 24 R HN 0.192 nan 8.270 nan 0.000 0.431 25 I N 1.383 121.915 120.570 -0.064 0.000 2.185 25 I HA -0.308 3.862 4.170 -0.001 0.000 0.246 25 I C 1.847 177.923 176.117 -0.068 0.000 1.088 25 I CA 1.635 62.893 61.300 -0.070 0.000 1.347 25 I CB -0.509 37.461 38.000 -0.049 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.398 120.566 120.200 -0.052 0.000 2.418 26 E HA -0.088 4.261 4.350 -0.001 0.000 0.197 26 E C 2.048 178.617 176.600 -0.052 0.000 1.026 26 E CA 0.881 57.254 56.400 -0.045 0.000 0.862 26 E CB 0.056 29.737 29.700 -0.032 0.000 0.799 26 E HN 0.541 nan 8.360 nan 0.000 0.518 27 A N 0.707 123.488 122.820 -0.065 0.000 1.973 27 A HA -0.040 4.280 4.320 -0.001 0.000 0.210 27 A C 1.946 179.464 177.584 -0.110 0.000 1.200 27 A CA 0.183 52.177 52.037 -0.071 0.000 0.707 27 A CB 0.099 19.062 19.000 -0.061 0.000 0.862 27 A HN 0.054 nan 8.150 nan 0.000 0.461 28 Q N 0.325 120.038 119.800 -0.145 0.000 2.187 28 Q HA 0.032 4.372 4.340 -0.001 0.000 0.199 28 Q C 0.081 175.951 176.000 -0.217 0.000 0.957 28 Q CA 0.485 56.154 55.803 -0.223 0.000 0.857 28 Q CB -0.037 28.536 28.738 -0.274 0.000 0.929 28 Q HN 0.561 nan 8.270 nan 0.000 0.453 32 F N 1.148 121.064 119.950 -0.056 0.000 2.574 32 F HA 0.382 4.908 4.527 -0.001 0.000 0.313 32 F C -1.041 174.729 175.800 -0.050 0.000 1.130 32 F CA -0.520 57.443 58.000 -0.060 0.000 0.936 32 F CB 2.182 41.142 39.000 -0.066 0.000 1.219 32 F HN 0.179 nan 8.300 nan 0.000 0.445 33 D N 5.068 125.050 120.400 -0.698 0.000 2.479 33 D HA 0.470 5.110 4.640 -0.001 0.000 0.247 33 D C 0.175 176.123 176.300 -0.587 0.000 1.119 33 D CA 0.144 53.866 54.000 -0.462 0.000 0.922 33 D CB 1.333 41.955 40.800 -0.296 0.000 1.014 33 D HN 0.758 nan 8.370 nan 0.000 0.510 37 S N 2.013 117.533 115.700 -0.301 0.000 2.533 37 S HA 0.698 5.168 4.470 -0.001 0.000 0.282 37 S C -0.195 174.260 174.600 -0.241 0.000 1.304 37 S CA -0.330 57.670 58.200 -0.334 0.000 1.063 37 S CB 1.456 64.322 63.200 -0.557 0.000 0.881 37 S HN 0.621 nan 8.310 nan 0.000 0.493 38 V N 1.957 121.721 119.914 -0.250 0.000 3.258 38 V HA 0.512 4.632 4.120 -0.001 0.000 0.299 38 V C -1.461 174.441 176.094 -0.321 0.000 1.376 38 V CA -0.915 61.253 62.300 -0.220 0.000 1.063 38 V CB 2.070 33.843 31.823 -0.084 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.182 121.115 119.950 -0.028 0.000 2.425 39 F HA 0.857 5.383 4.527 -0.001 0.000 0.331 39 F C 0.141 176.046 175.800 0.175 0.000 1.085 39 F CA -0.547 57.435 58.000 -0.029 0.000 1.028 39 F CB 1.886 40.767 39.000 -0.199 0.000 1.177 39 F HN 0.231 nan 8.300 nan 0.000 0.487 40 V N 2.437 122.665 119.914 0.522 0.000 3.178 40 V HA 0.489 4.608 4.120 -0.001 0.000 0.302 40 V C -0.966 175.492 176.094 0.607 0.000 1.262 40 V CA -0.923 61.680 62.300 0.504 0.000 1.030 40 V CB 2.579 34.558 31.823 0.259 0.000 1.074 40 V HN 0.485 nan 8.190 nan 0.000 0.438 41 V N 3.811 124.008 119.914 0.472 0.000 3.139 41 V HA 0.342 4.462 4.120 -0.001 0.000 0.307 41 V C -0.332 175.886 176.094 0.206 0.000 1.095 41 V CA 0.385 62.820 62.300 0.224 0.000 1.160 41 V CB 1.017 32.935 31.823 0.158 0.000 1.003 41 V HN 0.998 nan 8.190 nan 0.000 0.489 42 H N 5.164 124.208 119.070 -0.043 0.000 3.188 42 H HA 0.302 4.858 4.556 -0.001 0.000 0.325 42 H C -2.402 172.912 175.328 -0.025 0.000 1.033 42 H CA -1.591 54.462 56.048 0.007 0.000 1.443 42 H CB 2.194 32.000 29.762 0.074 0.000 1.968 42 H HN 0.302 nan 8.280 nan 0.000 0.449 43 P HA -0.181 nan 4.420 nan 0.000 0.217 43 P C 1.027 178.462 177.300 0.225 0.000 1.158 43 P CA 1.610 64.808 63.100 0.162 0.000 0.887 43 P CB 0.767 32.491 31.700 0.041 0.000 0.792 44 K N -1.148 119.501 120.400 0.415 0.000 2.056 44 K HA 0.053 4.372 4.320 -0.001 0.000 0.205 44 K C 1.238 177.812 176.600 -0.044 0.000 1.035 44 K CA 0.747 57.127 56.287 0.155 0.000 0.955 44 K CB -0.243 32.360 32.500 0.171 0.000 0.769 44 K HN 0.096 nan 8.250 nan 0.000 0.447 45 Q N 0.117 119.679 119.800 -0.396 0.000 2.261 45 Q HA 0.151 4.491 4.340 -0.001 0.000 0.252 45 Q C 0.662 176.572 176.000 -0.150 0.000 0.915 45 Q CA -0.217 55.391 55.803 -0.326 0.000 0.915 45 Q CB 1.801 30.297 28.738 -0.403 0.000 1.204 45 Q HN 0.146 nan 8.270 nan 0.000 0.421 46 S N 1.981 117.693 115.700 0.020 0.000 2.389 46 S HA -0.143 4.326 4.470 -0.001 0.000 0.229 46 S C -0.171 174.266 174.600 -0.272 0.000 1.048 46 S CA 1.512 59.657 58.200 -0.093 0.000 1.117 46 S CB 0.059 63.242 63.200 -0.029 0.000 1.020 46 S HN 0.469 nan 8.310 nan 0.000 0.430 47 F N -1.012 119.035 119.950 0.162 0.000 2.607 47 F HA 0.577 5.104 4.527 -0.000 0.000 0.322 47 F C -0.180 175.831 175.800 0.352 0.000 1.176 47 F CA -0.699 57.429 58.000 0.213 0.000 0.977 47 F CB 1.492 40.552 39.000 0.101 0.000 1.242 47 F HN -0.078 nan 8.300 nan 0.000 0.465 51 T N 1.331 115.838 114.554 -0.079 0.000 2.797 51 T HA 0.507 4.857 4.350 -0.001 0.000 0.279 51 T C 0.191 174.850 174.700 -0.069 0.000 0.991 51 T CA -0.430 61.612 62.100 -0.096 0.000 0.979 51 T CB 1.209 70.020 68.868 -0.094 0.000 0.943 51 T HN 0.415 nan 8.240 nan 0.000 0.444 52 I N 3.852 124.377 120.570 -0.076 0.000 2.533 52 I HA 0.119 4.289 4.170 -0.001 0.000 0.284 52 I C 1.359 177.446 176.117 -0.050 0.000 1.109 52 I CA 0.055 61.322 61.300 -0.055 0.000 1.412 52 I CB 0.431 38.398 38.000 -0.055 0.000 1.396 52 I HN 0.686 nan 8.210 nan 0.000 0.543 53 Q N 4.042 123.820 119.800 -0.037 0.000 2.240 53 Q HA 0.125 4.464 4.340 -0.001 0.000 0.194 53 Q C 0.584 176.567 176.000 -0.029 0.000 0.982 53 Q CA 0.808 56.591 55.803 -0.033 0.000 0.842 53 Q CB 0.090 28.812 28.738 -0.026 0.000 0.941 53 Q HN 0.814 nan 8.270 nan 0.000 0.516 57 G N 0.604 109.398 108.800 -0.010 0.000 2.234 57 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.260 57 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.260 57 G C 0.517 175.412 174.900 -0.009 0.000 0.987 57 G CA 0.496 45.591 45.100 -0.008 0.000 0.625 57 G HN 0.819 nan 8.290 nan 0.000 0.532 61 T N 2.256 116.799 114.554 -0.018 0.000 2.771 61 T HA 0.879 5.228 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 1.865 70.722 68.868 -0.017 0.000 0.930 61 T HN 0.530 nan 8.240 nan 0.000 0.447 65 E N 0.571 120.804 120.200 0.055 0.000 2.267 65 E HA 0.496 4.846 4.350 -0.001 0.000 0.241 65 E C 0.489 177.130 176.600 0.068 0.000 0.950 65 E CA 0.037 56.465 56.400 0.047 0.000 0.776 65 E CB 0.347 30.073 29.700 0.043 0.000 1.207 65 E HN 0.945 nan 8.360 nan 0.000 0.436 66 G N 1.823 110.655 108.800 0.053 0.000 3.259 66 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.217 66 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.217 66 G C 0.423 175.350 174.900 0.045 0.000 0.993 66 G CA -0.168 44.964 45.100 0.054 0.000 0.836 66 G HN 0.801 nan 8.290 nan 0.000 0.514 67 G N -0.179 108.647 108.800 0.043 0.000 3.055 67 G HA2 0.438 4.398 3.960 -0.001 0.000 0.654 67 G HA3 0.438 4.398 3.960 -0.001 0.000 0.654 67 G C -0.703 174.218 174.900 0.035 0.000 1.134 67 G CA 0.823 45.941 45.100 0.030 0.000 1.049 67 G HN 1.305 nan 8.290 nan 0.000 0.458 68 E N 0.299 120.518 120.200 0.031 0.000 2.388 68 E HA 0.734 5.084 4.350 -0.001 0.000 0.281 68 E C -0.388 176.217 176.600 0.007 0.000 1.046 68 E CA -0.374 56.040 56.400 0.023 0.000 0.825 68 E CB 1.523 31.248 29.700 0.040 0.000 1.243 68 E HN 0.752 nan 8.360 nan 0.000 0.438 69 T N 1.507 116.056 114.554 -0.009 0.000 2.841 69 T HA 0.711 5.061 4.350 -0.001 0.000 0.285 69 T C -0.842 173.841 174.700 -0.029 0.000 0.991 69 T CA -0.660 61.431 62.100 -0.014 0.000 0.966 69 T CB 0.887 69.748 68.868 -0.012 0.000 0.962 69 T HN 0.300 nan 8.240 nan 0.000 0.438 70 L N 2.160 123.365 121.223 -0.030 0.000 2.422 70 L HA 0.625 4.965 4.340 -0.001 0.000 0.264 70 L C -0.319 176.535 176.870 -0.026 0.000 0.984 70 L CA -0.474 54.341 54.840 -0.041 0.000 0.819 70 L CB 2.788 44.809 42.059 -0.064 0.000 1.330 70 L HN 0.775 nan 8.230 nan 0.000 0.410 71 T N 2.420 116.959 114.554 -0.026 0.000 2.801 71 T HA 0.560 4.910 4.350 -0.001 0.000 0.306 71 T C -0.527 174.163 174.700 -0.017 0.000 1.020 71 T CA -0.320 61.769 62.100 -0.019 0.000 0.948 71 T CB 1.038 69.896 68.868 -0.017 0.000 0.962 71 T HN 0.193 nan 8.240 nan 0.000 0.465 72 V N 3.359 123.265 119.914 -0.014 0.000 2.864 72 V HA 0.446 4.566 4.120 -0.001 0.000 0.314 72 V C 0.438 176.522 176.094 -0.017 0.000 1.073 72 V CA -1.160 61.134 62.300 -0.010 0.000 0.956 72 V CB 2.322 34.147 31.823 0.004 0.000 1.023 72 V HN 0.736 nan 8.190 nan 0.000 0.435 73 K N 1.495 121.885 120.400 -0.016 0.000 2.414 73 K HA -0.132 4.188 4.320 -0.001 0.000 0.266 73 K C 1.234 177.806 176.600 -0.047 0.000 0.976 73 K CA 1.181 57.453 56.287 -0.025 0.000 0.884 73 K CB 0.112 32.602 32.500 -0.018 0.000 0.959 73 K HN 0.779 nan 8.250 nan 0.000 0.531 74 E N 0.283 120.453 120.200 -0.049 0.000 2.107 74 E HA -0.138 4.212 4.350 -0.001 0.000 0.191 74 E C 0.106 176.632 176.600 -0.123 0.000 0.982 74 E CA 1.299 57.659 56.400 -0.067 0.000 0.809 74 E CB 0.173 29.847 29.700 -0.043 0.000 0.756 74 E HN 0.500 nan 8.360 nan 0.000 0.459 75 D N -0.643 119.686 120.400 -0.118 0.000 2.561 75 D HA 0.067 4.707 4.640 -0.001 0.000 0.232 75 D C 0.433 176.567 176.300 -0.278 0.000 1.198 75 D CA 0.007 53.888 54.000 -0.200 0.000 0.826 75 D CB 0.349 41.075 40.800 -0.124 0.000 0.992 75 D HN 0.003 nan 8.370 nan 0.000 0.490 76 Q N -0.689 118.953 119.800 -0.262 0.000 2.189 76 Q HA 0.268 4.608 4.340 -0.001 0.000 0.223 76 Q C -0.785 175.087 176.000 -0.213 0.000 0.828 76 Q CA 0.022 55.751 55.803 -0.123 0.000 0.967 76 Q CB 1.314 30.056 28.738 0.006 0.000 1.139 76 Q HN 0.048 nan 8.270 nan 0.000 0.497 77 V N 1.547 121.170 119.914 -0.484 0.000 2.417 77 V HA 0.501 4.621 4.120 -0.001 0.000 0.291 77 V C -1.134 174.602 176.094 -0.596 0.000 1.024 77 V CA -0.483 61.613 62.300 -0.340 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 1.816 121.837 119.950 0.119 0.000 2.547 78 F HA 0.508 5.035 4.527 -0.001 0.000 0.316 78 F C 0.740 176.627 175.800 0.145 0.000 1.121 78 F CA -0.587 57.501 58.000 0.146 0.000 0.911 78 F CB 1.842 40.765 39.000 -0.128 0.000 1.179 78 F HN 0.353 nan 8.300 nan 0.000 0.443 79 S N 2.494 118.483 115.700 0.481 0.000 2.589 79 S HA 0.263 4.732 4.470 -0.001 0.000 0.256 79 S C -0.316 174.390 174.600 0.175 0.000 1.383 79 S CA -0.138 58.217 58.200 0.260 0.000 0.983 79 S CB 0.337 63.680 63.200 0.238 0.000 0.908 79 S HN 0.694 nan 8.310 nan 0.000 0.572 80 M N 2.133 121.687 119.600 -0.077 0.000 2.267 80 M HA 0.316 4.795 4.480 -0.001 0.000 0.289 80 M C -1.072 175.180 176.300 -0.080 0.000 1.043 80 M CA -0.555 54.680 55.300 -0.108 0.000 0.928 80 M CB 1.052 33.463 32.600 -0.314 0.000 1.613 80 M HN 0.508 nan 8.290 nan 0.000 0.450 81 N N 5.723 124.383 118.700 -0.067 0.000 2.454 81 N HA 0.210 4.950 4.740 -0.001 0.000 0.254 81 N C -2.501 172.813 175.510 -0.326 0.000 1.228 81 N CA -0.517 52.488 53.050 -0.075 0.000 0.900 81 N CB 0.306 38.846 38.487 0.088 0.000 1.089 81 N HN 0.460 nan 8.380 nan 0.000 0.449 82 P HA 0.111 nan 4.420 nan 0.000 0.269 82 P C -2.358 174.538 177.300 -0.675 0.000 1.217 82 P CA -0.709 61.878 63.100 -0.855 0.000 0.783 82 P CB -0.464 31.026 31.700 -0.350 0.000 0.898 89 E N 2.051 122.324 120.200 0.122 0.000 2.118 89 E HA -0.182 4.168 4.350 -0.001 0.000 0.195 89 E C 0.169 176.910 176.600 0.235 0.000 0.992 89 E CA 1.241 57.733 56.400 0.153 0.000 0.804 89 E CB 0.304 30.118 29.700 0.190 0.000 0.741 89 E HN 0.381 nan 8.360 nan 0.000 0.458 90 D N -0.787 119.739 120.400 0.211 0.000 2.420 90 D HA 0.125 4.764 4.640 -0.001 0.000 0.255 90 D C 0.643 177.005 176.300 0.103 0.000 1.185 90 D CA -0.170 53.948 54.000 0.196 0.000 0.904 90 D CB 0.678 41.564 40.800 0.143 0.000 1.102 90 D HN -0.041 nan 8.370 nan 0.000 0.534 91 M N 1.485 121.139 119.600 0.089 0.000 2.337 91 M HA -0.143 4.337 4.480 -0.001 0.000 0.261 91 M C 1.741 178.031 176.300 -0.017 0.000 1.067 91 M CA 1.183 56.503 55.300 0.032 0.000 1.074 91 M CB -0.119 32.499 32.600 0.029 0.000 1.395 91 M HN 0.359 nan 8.290 nan 0.000 0.431 92 A N -0.495 122.321 122.820 -0.007 0.000 2.255 92 A HA 0.089 4.408 4.320 -0.001 0.000 0.206 92 A C 1.889 179.411 177.584 -0.103 0.000 1.193 92 A CA 0.654 52.657 52.037 -0.058 0.000 0.794 92 A CB -0.589 18.380 19.000 -0.053 0.000 0.794 92 A HN 0.527 nan 8.150 nan 0.000 0.481 93 M N -1.425 118.126 119.600 -0.082 0.000 2.367 93 M HA 0.285 4.765 4.480 -0.001 0.000 0.256 93 M C 0.309 176.502 176.300 -0.177 0.000 1.091 93 M CA -0.001 55.249 55.300 -0.084 0.000 1.049 93 M CB 0.081 32.687 32.600 0.011 0.000 1.406 93 M HN 0.371 nan 8.290 nan 0.000 0.498 94 M N -0.310 119.120 119.600 -0.283 0.000 2.252 94 M HA -0.095 4.385 4.480 -0.001 0.000 0.321 94 M C 1.279 177.288 176.300 -0.485 0.000 1.070 94 M CA 0.789 55.729 55.300 -0.600 0.000 1.143 94 M CB 0.391 32.785 32.600 -0.344 0.000 1.498 94 M HN -0.088 nan 8.290 nan 0.000 0.445 95 T N -0.035 114.166 114.554 -0.589 0.000 3.122 95 T HA 0.134 4.483 4.350 -0.001 0.000 0.250 95 T C -0.665 173.853 174.700 -0.304 0.000 1.067 95 T CA 0.277 62.188 62.100 -0.314 0.000 0.966 95 T CB -0.281 68.464 68.868 -0.204 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.870 119.761 119.070 -0.298 0.000 2.854 96 H HA 0.396 4.951 4.556 -0.001 0.000 0.275 96 H C -1.229 173.897 175.328 -0.337 0.000 1.198 96 H CA -0.698 55.171 56.048 -0.298 0.000 1.489 96 H CB 0.563 30.221 29.762 -0.173 0.000 1.519 96 H HN 0.051 nan 8.280 nan 0.000 0.503 97 L N 4.041 125.097 121.223 -0.278 0.000 2.358 97 L HA 0.251 4.590 4.340 -0.001 0.000 0.274 97 L C 0.107 176.837 176.870 -0.233 0.000 1.136 97 L CA 0.096 54.812 54.840 -0.206 0.000 0.970 97 L CB -1.302 40.659 42.059 -0.164 0.000 1.314 97 L HN 0.717 nan 8.230 nan 0.000 0.427 98 H N -0.719 118.291 119.070 -0.100 0.000 2.896 98 H HA 0.318 4.874 4.556 -0.001 0.000 0.318 98 H C 0.556 175.697 175.328 -0.313 0.000 1.409 98 H CA -0.656 55.272 56.048 -0.199 0.000 1.328 98 H CB 1.817 31.384 29.762 -0.325 0.000 1.940 98 H HN 0.390 nan 8.280 nan 0.000 0.665 99 E N 0.226 120.246 120.200 -0.300 0.000 2.042 99 E HA -0.023 4.326 4.350 -0.001 0.000 0.189 99 E C -1.033 175.182 176.600 -0.641 0.000 0.974 99 E CA 0.265 56.412 56.400 -0.422 0.000 0.806 99 E CB -0.553 28.911 29.700 -0.394 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 0.996 177.733 177.300 -0.938 0.000 1.157 100 P CA 1.854 64.169 63.100 -1.309 0.000 0.863 100 P CB -0.108 30.454 31.700 -1.896 0.000 0.787 101 A N -0.628 121.742 122.820 -0.749 0.000 2.032 101 A HA -0.154 4.166 4.320 -0.001 0.000 0.221 101 A C 2.319 179.814 177.584 -0.148 0.000 1.165 101 A CA 1.751 53.620 52.037 -0.278 0.000 0.645 101 A CB -1.683 17.437 19.000 0.200 0.000 0.807 101 A HN 0.090 nan 8.150 nan 0.000 0.453 102 V N -0.560 119.239 119.914 -0.192 0.000 2.446 102 V HA -0.134 3.986 4.120 -0.001 0.000 0.244 102 V C 2.391 178.388 176.094 -0.162 0.000 1.039 102 V CA 1.555 63.775 62.300 -0.133 0.000 1.045 102 V CB -0.490 31.260 31.823 -0.121 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.086 120.987 121.223 -0.250 0.000 1.994 103 L HA -0.168 4.172 4.340 -0.001 0.000 0.208 103 L C 2.283 178.961 176.870 -0.320 0.000 1.071 103 L CA 2.226 56.880 54.840 -0.312 0.000 0.745 103 L CB -1.149 40.664 42.059 -0.410 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.043 120.157 120.300 -0.311 0.000 2.256 104 Y HA -0.248 4.301 4.550 -0.001 0.000 0.288 104 Y C 2.663 178.523 175.900 -0.066 0.000 1.155 104 Y CA 2.018 60.009 58.100 -0.182 0.000 1.203 104 Y CB -0.625 37.723 38.460 -0.186 0.000 0.980 104 Y HN 0.475 nan 8.280 nan 0.000 0.530 105 N N -0.440 118.291 118.700 0.051 0.000 2.216 105 N HA -0.093 4.647 4.740 -0.001 0.000 0.183 105 N C 0.481 176.000 175.510 0.015 0.000 1.017 105 N CA 0.240 53.321 53.050 0.052 0.000 0.861 105 N CB -0.150 38.364 38.487 0.044 0.000 0.986 105 N HN -0.023 nan 8.380 nan 0.000 0.428 109 R N 0.498 121.017 120.500 0.032 0.000 2.319 109 R HA 0.111 4.450 4.340 -0.001 0.000 0.204 109 R C 1.514 177.838 176.300 0.040 0.000 0.954 109 R CA 0.721 56.835 56.100 0.023 0.000 1.066 109 R CB -0.133 30.184 30.300 0.028 0.000 0.991 109 R HN 0.151 nan 8.270 nan 0.000 0.486 110 Y N 0.910 121.129 120.300 -0.136 0.000 2.464 110 Y HA 0.372 4.921 4.550 -0.000 0.000 0.288 110 Y C 2.270 177.939 175.900 -0.385 0.000 1.133 110 Y CA 0.184 58.170 58.100 -0.191 0.000 1.223 110 Y CB -0.118 38.247 38.460 -0.159 0.000 1.187 110 Y HN 0.057 nan 8.280 nan 0.000 0.539 111 A N 0.252 122.830 122.820 -0.404 0.000 2.178 111 A HA 0.135 4.454 4.320 -0.001 0.000 0.218 111 A C 1.912 179.074 177.584 -0.702 0.000 1.157 111 A CA 1.402 53.067 52.037 -0.619 0.000 0.689 111 A CB -1.080 17.747 19.000 -0.288 0.000 0.787 111 A HN 0.514 nan 8.150 nan 0.000 0.465 112 A N -3.314 119.251 122.820 -0.425 0.000 2.430 112 A HA 0.418 4.737 4.320 -0.001 0.000 0.243 112 A C 0.355 177.952 177.584 0.022 0.000 1.254 112 A CA -0.187 51.736 52.037 -0.189 0.000 0.914 112 A CB -0.427 18.533 19.000 -0.066 0.000 0.998 112 A HN 0.712 nan 8.150 nan 0.000 0.515 113 W N -1.476 119.785 121.300 -0.065 0.000 4.301 113 W HA -0.169 4.490 4.660 -0.000 0.000 0.360 113 W C -0.557 175.997 176.519 0.059 0.000 1.371 113 W CA 0.769 58.104 57.345 -0.017 0.000 0.781 113 W CB -2.345 27.181 29.460 0.110 0.000 2.488 113 W HN 0.403 nan 8.180 nan 0.000 1.350 114 M N 0.893 120.581 119.600 0.146 0.000 2.066 114 M HA 0.275 4.754 4.480 -0.001 0.000 0.340 114 M C 1.522 177.839 176.300 0.028 0.000 1.053 114 M CA -0.184 55.172 55.300 0.092 0.000 0.983 114 M CB 0.665 33.301 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 -0.140 0.000 3.226 115 I HA 0.111 4.281 4.170 -0.001 0.000 0.277 115 I C -0.519 175.284 176.117 -0.523 0.000 1.243 115 I CA 0.536 61.633 61.300 -0.337 0.000 1.459 115 I CB 0.125 37.817 38.000 -0.515 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 -0.048 0.000 2.402 116 Y HA 0.547 5.097 4.550 -0.001 0.000 0.332 116 Y C 0.318 176.113 175.900 -0.176 0.000 0.960 116 Y CA -1.174 56.851 58.100 -0.124 0.000 1.228 116 Y CB 1.234 39.592 38.460 -0.169 0.000 1.120 116 Y HN -0.050 nan 8.280 nan 0.000 0.491 117 T N 3.187 117.738 114.554 -0.005 0.000 2.861 117 T HA 0.589 4.938 4.350 -0.001 0.000 0.287 117 T C -1.114 173.566 174.700 -0.032 0.000 1.003 117 T CA -0.552 61.517 62.100 -0.053 0.000 0.977 117 T CB 0.419 69.285 68.868 -0.003 0.000 0.996 117 T HN 0.297 nan 8.240 nan 0.000 0.448 118 Y N 2.218 122.589 120.300 0.119 0.000 2.307 118 Y HA 0.557 5.107 4.550 -0.001 0.000 0.324 118 Y C 1.291 177.259 175.900 0.113 0.000 1.238 118 Y CA -0.782 57.394 58.100 0.127 0.000 1.280 118 Y CB 1.675 40.201 38.460 0.110 0.000 1.248 118 Y HN 0.649 nan 8.280 nan 0.000 0.508 119 S N 1.248 117.157 115.700 0.347 0.000 2.327 119 S HA 0.553 5.022 4.470 -0.001 0.000 0.203 119 S C 0.326 175.044 174.600 0.197 0.000 1.326 119 S CA 0.266 58.614 58.200 0.246 0.000 1.248 119 S CB -0.938 62.405 63.200 0.239 0.000 1.199 119 S HN 1.248 nan 8.310 nan 0.000 0.422 120 G N 2.036 110.893 108.800 0.095 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 0.263 175.120 174.900 -0.070 0.000 1.647 120 G CA 0.082 45.161 45.100 -0.035 0.000 1.146 120 G HN 0.535 nan 8.290 nan 0.000 0.545 121 L N 1.110 122.223 121.223 -0.183 0.000 2.515 121 L HA 0.478 4.818 4.340 -0.001 0.000 0.223 121 L C 1.075 177.996 176.870 0.084 0.000 1.079 121 L CA -0.150 54.646 54.840 -0.073 0.000 0.857 121 L CB -0.033 42.004 42.059 -0.037 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.815 119.269 119.950 0.222 0.000 2.535 122 F HA 0.036 4.563 4.527 -0.001 0.000 0.332 122 F C 0.720 176.697 175.800 0.295 0.000 1.208 122 F CA -0.921 57.206 58.000 0.210 0.000 1.330 122 F CB 0.169 39.219 39.000 0.082 0.000 1.167 122 F HN -0.206 nan 8.300 nan 0.000 0.597 123 C N 3.896 123.495 119.300 0.498 0.000 2.814 123 C HA 0.652 5.112 4.460 -0.001 0.000 0.269 123 C C -0.539 174.573 174.990 0.203 0.000 1.090 123 C CA -0.688 58.537 59.018 0.345 0.000 1.492 123 C CB -1.467 26.425 27.740 0.253 0.000 1.825 123 C HN 0.495 nan 8.230 nan 0.000 0.442 124 V N 4.995 125.007 119.914 0.162 0.000 2.763 124 V HA 0.338 4.457 4.120 -0.001 0.000 0.306 124 V C 0.802 176.953 176.094 0.094 0.000 1.059 124 V CA 0.790 63.130 62.300 0.067 0.000 1.138 124 V CB 1.276 33.109 31.823 0.017 0.000 0.940 124 V HN 0.852 nan 8.190 nan 0.000 0.489 125 T N 3.492 118.070 114.554 0.040 0.000 3.011 125 T HA 0.514 4.864 4.350 -0.001 0.000 0.303 125 T C -0.692 173.938 174.700 -0.115 0.000 0.997 125 T CA -0.357 61.760 62.100 0.028 0.000 1.007 125 T CB 1.524 70.484 68.868 0.153 0.000 1.017 125 T HN 0.457 nan 8.240 nan 0.000 0.443 126 V N 3.675 123.458 119.914 -0.218 0.000 2.459 126 V HA 0.445 4.565 4.120 -0.001 0.000 0.295 126 V C 0.575 176.510 176.094 -0.265 0.000 1.029 126 V CA -1.218 60.901 62.300 -0.301 0.000 0.874 126 V CB 1.546 33.074 31.823 -0.493 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.559 124.058 118.700 -0.335 0.000 2.417 127 N HA 0.055 4.795 4.740 -0.001 0.000 0.272 127 N C -1.444 173.814 175.510 -0.420 0.000 1.304 127 N CA -1.070 51.704 53.050 -0.460 0.000 0.906 127 N CB 1.207 39.231 38.487 -0.771 0.000 1.135 127 N HN 0.486 nan 8.380 nan 0.000 0.483 128 P HA -0.097 nan 4.420 nan 0.000 0.215 128 P C -0.540 176.805 177.300 0.076 0.000 1.157 128 P CA 1.022 64.124 63.100 0.002 0.000 0.863 128 P CB 0.095 31.754 31.700 -0.068 0.000 0.787 132 L N 5.512 125.976 121.223 -1.264 0.000 2.445 132 L HA 0.547 4.886 4.340 -0.001 0.000 0.262 132 L C -1.746 174.074 176.870 -1.751 0.000 0.974 132 L CA -1.839 52.249 54.840 -1.252 0.000 0.822 132 L CB 2.699 44.270 42.059 -0.813 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 1.045 178.305 177.300 -0.067 0.000 1.319 133 P CA 0.308 63.156 63.100 -0.419 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 -0.046 0.000 2.719 134 V HA -0.162 3.958 4.120 -0.001 0.000 0.252 134 V C 1.520 177.932 176.094 0.531 0.000 1.065 134 V CA 1.510 63.989 62.300 0.298 0.000 1.086 134 V CB -1.279 30.742 31.823 0.330 0.000 0.700 134 V HN 0.077 nan 8.190 nan 0.000 0.467 135 Y N -0.130 120.272 120.300 0.169 0.000 2.471 135 Y HA 0.231 4.781 4.550 -0.001 0.000 0.286 135 Y C 1.170 177.232 175.900 0.270 0.000 1.188 135 Y CA -1.164 57.142 58.100 0.343 0.000 1.286 135 Y CB -1.350 37.243 38.460 0.222 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.246 122.155 118.700 0.350 0.000 2.359 136 N HA -0.043 4.697 4.740 -0.001 0.000 0.261 136 N C -2.308 173.289 175.510 0.144 0.000 1.267 136 N CA -0.929 52.270 53.050 0.247 0.000 0.864 136 N CB 0.638 39.260 38.487 0.226 0.000 1.063 136 N HN 0.038 nan 8.380 nan 0.000 0.474 140 V N 1.101 120.835 119.914 -0.300 0.000 2.277 140 V HA -0.352 3.768 4.120 -0.001 0.000 0.255 140 V C 2.309 178.312 176.094 -0.152 0.000 1.074 140 V CA 3.121 65.191 62.300 -0.384 0.000 1.058 140 V CB -0.507 31.128 31.823 -0.312 0.000 0.656 140 V HN 0.485 nan 8.190 nan 0.000 0.449 141 L N -0.174 120.957 121.223 -0.153 0.000 2.044 141 L HA -0.017 4.322 4.340 -0.001 0.000 0.205 141 L C 2.627 179.415 176.870 -0.136 0.000 1.075 141 L CA 2.046 56.807 54.840 -0.132 0.000 0.747 141 L CB -1.205 40.769 42.059 -0.142 0.000 0.903 141 L HN 0.262 nan 8.230 nan 0.000 0.435 142 A N -1.080 121.595 122.820 -0.241 0.000 1.917 142 A HA -0.269 4.051 4.320 -0.001 0.000 0.219 142 A C 2.067 179.498 177.584 -0.255 0.000 1.182 142 A CA 1.851 53.637 52.037 -0.418 0.000 0.633 142 A CB -1.066 17.367 19.000 -0.945 0.000 0.819 142 A HN 0.457 nan 8.150 nan 0.000 0.448 143 Y N -1.027 119.254 120.300 -0.032 0.000 2.529 143 Y HA 0.176 4.726 4.550 -0.000 0.000 0.290 143 Y C 1.038 176.978 175.900 0.067 0.000 1.177 143 Y CA 0.283 58.425 58.100 0.070 0.000 1.305 143 Y CB -0.053 38.460 38.460 0.089 0.000 1.047 143 Y HN 0.154 nan 8.280 nan 0.000 0.522 144 R N 0.779 121.363 120.500 0.139 0.000 2.242 144 R HA 0.375 4.715 4.340 -0.001 0.000 0.334 144 R C 0.769 177.108 176.300 0.064 0.000 1.071 144 R CA 0.106 56.265 56.100 0.098 0.000 0.922 144 R CB -0.391 29.914 30.300 0.009 0.000 1.023 144 R HN 0.396 nan 8.270 nan 0.000 0.458 145 G N 2.755 111.609 108.800 0.089 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 -0.461 174.468 174.900 0.048 0.000 0.989 145 G CA 0.091 45.226 45.100 0.058 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.156 121.606 120.400 0.084 0.000 2.265 146 K HA 0.536 4.855 4.320 -0.001 0.000 0.267 146 K C 0.638 177.299 176.600 0.102 0.000 0.994 146 K CA -0.747 55.597 56.287 0.095 0.000 0.860 146 K CB 0.872 33.458 32.500 0.144 0.000 1.099 146 K HN 0.090 nan 8.250 nan 0.000 0.448 147 K N 1.807 122.244 120.400 0.061 0.000 2.336 147 K HA 0.010 4.330 4.320 -0.001 0.000 0.262 147 K C 0.972 177.646 176.600 0.122 0.000 0.992 147 K CA 0.013 56.333 56.287 0.055 0.000 0.927 147 K CB 0.308 32.827 32.500 0.031 0.000 0.956 147 K HN 0.638 nan 8.250 nan 0.000 0.495 148 R N 0.475 121.046 120.500 0.119 0.000 2.369 148 R HA -0.098 4.241 4.340 -0.001 0.000 0.200 148 R C 0.498 176.900 176.300 0.170 0.000 1.046 148 R CA 1.088 57.291 56.100 0.171 0.000 1.057 148 R CB -0.125 30.223 30.300 0.081 0.000 0.888 148 R HN 0.484 nan 8.270 nan 0.000 0.474 149 Q N 0.471 120.349 119.800 0.131 0.000 2.352 149 Q HA 0.093 4.433 4.340 -0.001 0.000 0.212 149 Q C 0.814 176.893 176.000 0.131 0.000 0.888 149 Q CA 0.422 56.301 55.803 0.127 0.000 0.934 149 Q CB 0.705 29.505 28.738 0.103 0.000 1.093 149 Q HN 0.505 nan 8.270 nan 0.000 0.523 150 E N 0.277 120.556 120.200 0.131 0.000 2.478 150 E HA 0.244 4.593 4.350 -0.001 0.000 0.194 150 E C -0.124 176.558 176.600 0.135 0.000 1.045 150 E CA 0.168 56.638 56.400 0.116 0.000 0.868 150 E CB 0.648 30.405 29.700 0.095 0.000 0.885 150 E HN 0.220 nan 8.360 nan 0.000 0.505 151 A N 1.681 124.614 122.820 0.189 0.000 2.587 151 A HA 0.524 4.844 4.320 -0.001 0.000 0.293 151 A C -2.785 174.969 177.584 0.283 0.000 1.087 151 A CA -1.558 50.604 52.037 0.208 0.000 0.692 151 A CB 1.139 20.270 19.000 0.218 0.000 1.291 151 A HN -0.184 nan 8.150 nan 0.000 0.407 152 P HA 0.355 nan 4.420 nan 0.000 0.272 152 P C -2.753 174.704 177.300 0.261 0.000 1.240 152 P CA -1.387 61.819 63.100 0.178 0.000 0.791 152 P CB -0.647 31.058 31.700 0.008 0.000 0.978 153 P HA 0.034 nan 4.420 nan 0.000 0.258 153 P C -0.414 176.815 177.300 -0.119 0.000 1.187 153 P CA 1.192 64.087 63.100 -0.343 0.000 0.767 153 P CB -0.251 31.080 31.700 -0.615 0.000 0.770 154 H N 1.612 120.411 119.070 -0.451 0.000 3.094 154 H HA 0.208 4.763 4.556 -0.001 0.000 0.335 154 H C 0.707 175.498 175.328 -0.895 0.000 1.254 154 H CA -0.777 54.761 56.048 -0.851 0.000 1.240 154 H CB 1.362 30.653 29.762 -0.785 0.000 1.936 154 H HN 0.125 nan 8.280 nan 0.000 0.536 155 I N 2.459 122.305 120.570 -1.208 0.000 2.361 155 I HA -0.261 3.908 4.170 -0.001 0.000 0.251 155 I C 1.188 176.621 176.117 -1.139 0.000 1.133 155 I CA 1.301 61.964 61.300 -1.061 0.000 1.413 155 I CB -0.048 37.270 38.000 -1.137 0.000 1.073 155 I HN 0.496 nan 8.210 nan 0.000 0.424 156 F N -0.515 118.577 119.950 -1.431 0.000 2.502 156 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 156 F C 2.698 177.952 175.800 -0.911 0.000 1.111 156 F CA 0.711 57.916 58.000 -1.325 0.000 1.445 156 F CB -0.780 37.456 39.000 -1.275 0.000 1.081 156 F HN -0.050 nan 8.300 nan 0.000 0.558 157 S N 0.377 115.676 115.700 -0.668 0.000 2.355 157 S HA -0.149 4.321 4.470 -0.001 0.000 0.222 157 S C 2.156 176.669 174.600 -0.144 0.000 1.031 157 S CA 1.098 59.162 58.200 -0.228 0.000 0.993 157 S CB -0.371 62.845 63.200 0.027 0.000 0.859 157 S HN 0.213 nan 8.310 nan 0.000 0.453 158 I N 1.504 121.957 120.570 -0.195 0.000 2.142 158 I HA -0.174 3.996 4.170 -0.001 0.000 0.240 158 I C 2.667 178.663 176.117 -0.201 0.000 1.078 158 I CA 1.659 62.873 61.300 -0.143 0.000 1.343 158 I CB -0.465 37.474 38.000 -0.101 0.000 1.046 158 I HN 0.405 nan 8.210 nan 0.000 0.405 159 S N -0.818 114.701 115.700 -0.301 0.000 2.442 159 S HA -0.238 4.231 4.470 -0.001 0.000 0.236 159 S C 1.904 176.412 174.600 -0.153 0.000 1.007 159 S CA 1.679 59.704 58.200 -0.291 0.000 0.965 159 S CB -0.396 62.400 63.200 -0.675 0.000 0.773 159 S HN 0.540 nan 8.310 nan 0.000 0.504 160 D N 0.751 121.072 120.400 -0.132 0.000 2.259 160 D HA 0.019 4.659 4.640 -0.001 0.000 0.216 160 D C 1.767 178.160 176.300 0.156 0.000 0.961 160 D CA 0.387 54.457 54.000 0.116 0.000 0.878 160 D CB -0.290 40.601 40.800 0.151 0.000 1.009 160 D HN 0.419 nan 8.370 nan 0.000 0.490 161 N N 0.880 119.613 118.700 0.056 0.000 2.149 161 N HA -0.153 4.587 4.740 -0.001 0.000 0.188 161 N C 1.854 177.484 175.510 0.200 0.000 1.019 161 N CA 1.002 54.088 53.050 0.059 0.000 0.857 161 N CB 0.039 38.576 38.487 0.083 0.000 0.997 161 N HN 0.157 nan 8.380 nan 0.000 0.426 162 A N 0.960 123.816 122.820 0.060 0.000 1.851 162 A HA -0.229 4.090 4.320 -0.001 0.000 0.216 162 A C 2.098 179.824 177.584 0.236 0.000 1.195 162 A CA 1.287 53.360 52.037 0.061 0.000 0.622 162 A CB -1.213 17.836 19.000 0.081 0.000 0.831 162 A HN 0.377 nan 8.150 nan 0.000 0.444 163 Y N 0.545 120.935 120.300 0.151 0.000 2.081 163 Y HA -0.308 4.242 4.550 -0.001 0.000 0.280 163 Y C 2.655 178.563 175.900 0.012 0.000 1.163 163 Y CA 2.293 60.429 58.100 0.060 0.000 1.135 163 Y CB -0.674 37.877 38.460 0.151 0.000 0.970 163 Y HN 0.474 nan 8.280 nan 0.000 0.498 164 Q N -1.158 118.701 119.800 0.098 0.000 1.927 164 Q HA -0.256 4.083 4.340 -0.001 0.000 0.210 164 Q C 2.180 178.132 176.000 -0.079 0.000 1.001 164 Q CA 2.135 57.895 55.803 -0.071 0.000 0.862 164 Q CB -0.703 27.938 28.738 -0.161 0.000 0.934 164 Q HN 0.434 nan 8.270 nan 0.000 0.420 165 F N 0.721 120.657 119.950 -0.023 0.000 2.141 165 F HA -0.323 4.204 4.527 -0.000 0.000 0.300 165 F C 2.376 178.121 175.800 -0.092 0.000 1.079 165 F CA 1.478 59.483 58.000 0.008 0.000 1.264 165 F CB -0.550 38.524 39.000 0.123 0.000 1.011 165 F HN 0.247 nan 8.300 nan 0.000 0.487 166 M N -0.322 119.310 119.600 0.053 0.000 2.059 166 M HA -0.233 4.246 4.480 -0.001 0.000 0.259 166 M C 2.085 178.151 176.300 -0.391 0.000 1.072 166 M CA 2.041 57.218 55.300 -0.206 0.000 1.117 166 M CB -0.451 31.990 32.600 -0.265 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.849 120.154 121.223 -0.367 0.000 2.156 167 L HA -0.108 4.232 4.340 -0.001 0.000 0.208 167 L C 2.299 179.061 176.870 -0.180 0.000 1.095 167 L CA 1.254 55.912 54.840 -0.304 0.000 0.770 167 L CB -1.358 40.545 42.059 -0.261 0.000 0.914 167 L HN 0.273 nan 8.230 nan 0.000 0.439 168 T N -0.305 114.180 114.554 -0.114 0.000 2.701 168 T HA -0.130 4.220 4.350 -0.001 0.000 0.263 168 T C 1.300 175.988 174.700 -0.022 0.000 1.040 168 T CA 1.726 63.796 62.100 -0.049 0.000 1.147 168 T CB -0.217 68.634 68.868 -0.029 0.000 0.865 168 T HN 0.366 nan 8.240 nan 0.000 0.426 169 D N 0.329 120.734 120.400 0.008 0.000 2.348 169 D HA 0.097 4.737 4.640 -0.001 0.000 0.211 169 D C 0.624 176.870 176.300 -0.089 0.000 0.998 169 D CA 0.071 54.069 54.000 -0.004 0.000 0.873 169 D CB -0.062 40.770 40.800 0.052 0.000 0.925 169 D HN 0.250 nan 8.370 nan 0.000 0.524 170 R N 0.476 120.845 120.500 -0.218 0.000 3.531 170 R HA -0.153 4.187 4.340 -0.001 0.000 0.280 170 R C -0.618 175.527 176.300 -0.258 0.000 1.130 170 R CA 0.663 56.560 56.100 -0.337 0.000 0.757 170 R CB -2.294 27.955 30.300 -0.086 0.000 1.218 170 R HN 0.413 nan 8.270 nan 0.000 0.454 171 E N 0.544 120.587 120.200 -0.263 0.000 2.299 171 E HA 0.360 4.709 4.350 -0.001 0.000 0.265 171 E C -0.163 176.327 176.600 -0.184 0.000 0.911 171 E CA -1.064 55.249 56.400 -0.146 0.000 0.789 171 E CB 1.279 30.926 29.700 -0.089 0.000 1.246 171 E HN 0.110 nan 8.360 nan 0.000 0.427 172 N N 1.485 120.090 118.700 -0.159 0.000 2.445 172 N HA 0.182 4.922 4.740 -0.001 0.000 0.264 172 N C -0.365 175.005 175.510 -0.233 0.000 1.227 172 N CA -0.325 52.533 53.050 -0.319 0.000 0.963 172 N CB 0.973 38.997 38.487 -0.771 0.000 1.188 172 N HN 0.339 nan 8.380 nan 0.000 0.491 173 Q N -0.400 119.237 119.800 -0.272 0.000 2.495 173 Q HA 0.619 4.959 4.340 -0.001 0.000 0.283 173 Q C -1.055 174.915 176.000 -0.050 0.000 1.097 173 Q CA -0.680 55.074 55.803 -0.082 0.000 0.836 173 Q CB 1.865 30.610 28.738 0.010 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.643 115.083 115.700 0.043 0.000 2.565 174 S HA 0.803 5.272 4.470 -0.001 0.000 0.269 174 S C -1.405 173.244 174.600 0.082 0.000 1.153 174 S CA -0.728 57.532 58.200 0.100 0.000 0.835 174 S CB 0.784 64.066 63.200 0.135 0.000 1.122 174 S HN 0.425 nan 8.310 nan 0.000 0.462 175 I N 1.405 122.048 120.570 0.121 0.000 2.512 175 I HA 0.396 4.565 4.170 -0.001 0.000 0.287 175 I C -1.667 174.522 176.117 0.119 0.000 1.069 175 I CA -0.487 60.877 61.300 0.107 0.000 1.056 175 I CB 1.851 39.938 38.000 0.145 0.000 1.229 175 I HN 0.547 nan 8.210 nan 0.000 0.429 176 L N 7.797 129.067 121.223 0.078 0.000 2.277 176 L HA 0.516 4.855 4.340 -0.001 0.000 0.284 176 L C -0.402 176.577 176.870 0.182 0.000 1.028 176 L CA -0.045 54.883 54.840 0.146 0.000 0.835 176 L CB 0.726 42.883 42.059 0.165 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.362 123.023 120.570 0.153 0.000 2.353 177 I HA 0.586 4.756 4.170 -0.001 0.000 0.293 177 I C 0.416 176.598 176.117 0.108 0.000 0.992 177 I CA 0.300 61.674 61.300 0.123 0.000 1.268 177 I CB 1.636 39.698 38.000 0.103 0.000 1.387 177 I HN 0.509 nan 8.210 nan 0.000 0.478 178 T N 3.475 118.077 114.554 0.080 0.000 3.012 178 T HA 0.769 5.118 4.350 -0.001 0.000 0.330 178 T C -0.646 174.068 174.700 0.023 0.000 1.321 178 T CA -0.647 61.489 62.100 0.060 0.000 1.067 178 T CB 1.800 70.710 68.868 0.071 0.000 1.235 178 T HN 0.943 nan 8.240 nan 0.000 0.479 179 G N 1.560 110.376 108.800 0.027 0.000 2.356 179 G HA2 0.505 4.465 3.960 -0.001 0.000 0.294 179 G HA3 0.505 4.465 3.960 -0.001 0.000 0.294 179 G C -1.556 173.360 174.900 0.027 0.000 1.423 179 G CA -0.870 44.236 45.100 0.010 0.000 0.806 179 G HN 0.691 nan 8.290 nan 0.000 0.527 180 E N 0.209 120.423 120.200 0.024 0.000 2.391 180 E HA 0.286 4.636 4.350 -0.001 0.000 0.255 180 E C 1.203 177.833 176.600 0.050 0.000 1.187 180 E CA 0.111 56.537 56.400 0.043 0.000 0.941 180 E CB 1.126 30.852 29.700 0.044 0.000 1.010 180 E HN 0.352 nan 8.360 nan 0.000 0.458 181 S N 0.847 116.588 115.700 0.068 0.000 2.399 181 S HA -0.216 4.253 4.470 -0.001 0.000 0.235 181 S C 1.591 176.226 174.600 0.059 0.000 1.063 181 S CA 1.974 60.211 58.200 0.063 0.000 1.070 181 S CB -0.477 62.765 63.200 0.071 0.000 0.904 181 S HN 0.699 nan 8.310 nan 0.000 0.456 182 G N -0.969 107.871 108.800 0.066 0.000 3.126 182 G HA2 0.455 4.415 3.960 -0.001 0.000 0.224 182 G HA3 0.455 4.415 3.960 -0.001 0.000 0.224 182 G C 1.243 176.190 174.900 0.079 0.000 1.142 182 G CA 0.586 45.739 45.100 0.087 0.000 0.759 182 G HN 0.570 nan 8.290 nan 0.000 0.550 183 A N 0.332 123.177 122.820 0.041 0.000 2.070 183 A HA 0.381 4.700 4.320 -0.001 0.000 0.220 183 A C 1.932 179.515 177.584 -0.001 0.000 1.159 183 A CA 1.494 53.532 52.037 0.003 0.000 0.656 183 A CB -0.537 18.457 19.000 -0.008 0.000 0.800 183 A HN 1.629 nan 8.150 nan 0.000 0.453 184 G N -0.563 108.255 108.800 0.031 0.000 2.452 184 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.275 184 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.275 184 G C 0.402 175.329 174.900 0.045 0.000 1.131 184 G CA 0.506 45.630 45.100 0.039 0.000 1.031 184 G HN 0.645 nan 8.290 nan 0.000 0.511 185 K N -0.491 119.936 120.400 0.044 0.000 2.067 185 K HA 0.017 4.337 4.320 -0.001 0.000 0.203 185 K C 2.560 179.197 176.600 0.061 0.000 1.048 185 K CA 1.480 57.798 56.287 0.051 0.000 0.954 185 K CB -0.451 32.077 32.500 0.046 0.000 0.737 185 K HN 0.310 nan 8.250 nan 0.000 0.444 186 T N 2.158 116.744 114.554 0.053 0.000 2.649 186 T HA -0.195 4.155 4.350 -0.001 0.000 0.268 186 T C 2.202 176.956 174.700 0.090 0.000 1.036 186 T CA 2.025 64.163 62.100 0.064 0.000 1.157 186 T CB -0.902 68.001 68.868 0.058 0.000 0.861 186 T HN 0.028 nan 8.240 nan 0.000 0.445 187 V N 2.689 122.658 119.914 0.092 0.000 2.282 187 V HA -0.262 3.858 4.120 -0.001 0.000 0.249 187 V C 2.492 178.670 176.094 0.140 0.000 1.057 187 V CA 1.903 64.271 62.300 0.114 0.000 1.032 187 V CB -0.816 31.066 31.823 0.098 0.000 0.645 187 V HN 0.446 nan 8.190 nan 0.000 0.447 188 N N 0.242 119.011 118.700 0.115 0.000 2.106 188 N HA -0.066 4.674 4.740 -0.001 0.000 0.188 188 N C 1.189 176.732 175.510 0.054 0.000 1.029 188 N CA 1.409 54.508 53.050 0.082 0.000 0.848 188 N CB -0.609 37.910 38.487 0.052 0.000 1.007 188 N HN 0.573 nan 8.380 nan 0.000 0.423 192 V N 1.740 121.651 119.914 -0.005 0.000 2.379 192 V HA -0.172 3.948 4.120 -0.001 0.000 0.245 192 V C 2.135 178.319 176.094 0.149 0.000 1.044 192 V CA 1.907 64.187 62.300 -0.033 0.000 1.036 192 V CB -0.336 31.500 31.823 0.022 0.000 0.664 192 V HN 0.249 nan 8.190 nan 0.000 0.453 193 I N 0.123 120.824 120.570 0.218 0.000 2.163 193 I HA -0.284 3.885 4.170 -0.001 0.000 0.243 193 I C 2.779 179.049 176.117 0.254 0.000 1.085 193 I CA 1.670 63.143 61.300 0.288 0.000 1.347 193 I CB -0.936 37.189 38.000 0.209 0.000 1.044 193 I HN 0.440 nan 8.210 nan 0.000 0.408 194 Q N 0.088 120.008 119.800 0.200 0.000 2.077 194 Q HA -0.288 4.051 4.340 -0.001 0.000 0.206 194 Q C 2.213 178.303 176.000 0.149 0.000 0.989 194 Q CA 2.015 57.921 55.803 0.172 0.000 0.853 194 Q CB -0.940 27.909 28.738 0.186 0.000 0.907 194 Q HN 0.525 nan 8.270 nan 0.000 0.418 195 Y N 0.825 121.144 120.300 0.031 0.000 2.069 195 Y HA -0.305 4.245 4.550 -0.000 0.000 0.278 195 Y C 2.059 177.839 175.900 -0.199 0.000 1.175 195 Y CA 1.706 59.748 58.100 -0.097 0.000 1.134 195 Y CB -0.527 37.813 38.460 -0.199 0.000 0.965 195 Y HN -0.025 nan 8.280 nan 0.000 0.498 196 F N -0.479 119.588 119.950 0.194 0.000 2.069 196 F HA -0.217 4.310 4.527 -0.001 0.000 0.298 196 F C 2.634 178.468 175.800 0.057 0.000 1.113 196 F CA 1.439 59.522 58.000 0.139 0.000 1.214 196 F CB -1.433 37.798 39.000 0.386 0.000 0.978 196 F HN 0.127 nan 8.300 nan 0.000 0.474 197 A N 0.115 123.080 122.820 0.242 0.000 1.883 197 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 197 A C 2.270 179.875 177.584 0.036 0.000 1.186 197 A CA 2.766 54.886 52.037 0.139 0.000 0.624 197 A CB -1.481 17.584 19.000 0.108 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.718 115.240 114.554 -0.052 0.000 2.569 198 T HA -0.188 4.161 4.350 -0.001 0.000 0.263 198 T C 1.824 176.411 174.700 -0.189 0.000 1.074 198 T CA 1.436 63.461 62.100 -0.126 0.000 1.176 198 T CB -0.974 67.786 68.868 -0.179 0.000 0.863 198 T HN 0.811 nan 8.240 nan 0.000 0.410 199 I N 0.231 120.574 120.570 -0.379 0.000 3.233 199 I HA 0.281 4.451 4.170 -0.001 0.000 0.287 199 I C 0.885 176.841 176.117 -0.269 0.000 1.329 199 I CA 0.913 61.968 61.300 -0.408 0.000 1.385 199 I CB -0.834 36.752 38.000 -0.689 0.000 1.053 199 I HN 0.347 nan 8.210 nan 0.000 0.525 200 A N 0.314 123.071 122.820 -0.106 0.000 3.318 200 A HA 0.755 5.074 4.320 -0.001 0.000 0.209 200 A C 0.155 177.825 177.584 0.144 0.000 1.102 200 A CA 0.059 52.124 52.037 0.047 0.000 1.128 200 A CB -0.618 18.430 19.000 0.081 0.000 1.310 200 A HN 0.497 nan 8.150 nan 0.000 0.726 201 A N 0.202 123.067 122.820 0.075 0.000 3.804 201 A HA 0.937 5.256 4.320 -0.001 0.000 0.174 201 A C 0.865 178.485 177.584 0.060 0.000 1.510 201 A CA 0.454 52.535 52.037 0.074 0.000 1.542 201 A CB -0.226 18.799 19.000 0.043 0.000 1.611 201 A HN 2.182 nan 8.150 nan 0.000 0.626 202 S N -2.368 113.356 115.700 0.040 0.000 3.956 202 S HA 0.042 4.512 4.470 -0.001 0.000 0.685 202 S C 0.452 175.072 174.600 0.033 0.000 0.569 202 S CA 0.942 59.162 58.200 0.034 0.000 1.348 202 S CB -1.693 61.533 63.200 0.044 0.000 0.726 202 S HN 2.285 nan 8.310 nan 0.000 0.895 203 G N 1.142 109.956 108.800 0.024 0.000 3.042 203 G HA2 0.468 4.428 3.960 -0.001 0.000 0.212 203 G HA3 0.468 4.428 3.960 -0.001 0.000 0.212 203 G C 0.721 175.629 174.900 0.014 0.000 1.166 203 G CA 0.665 45.776 45.100 0.018 0.000 0.767 203 G HN 1.041 nan 8.290 nan 0.000 0.546 204 E N -0.557 119.652 120.200 0.015 0.000 4.277 204 E HA -0.372 3.977 4.350 -0.001 0.000 0.189 204 E C 1.766 178.371 176.600 0.009 0.000 1.264 204 E CA 2.001 58.408 56.400 0.012 0.000 2.321 204 E CB -0.956 28.752 29.700 0.012 0.000 1.841 204 E HN 0.444 nan 8.360 nan 0.000 0.373 205 K N 1.024 121.429 120.400 0.007 0.000 2.116 205 K HA 0.008 4.327 4.320 -0.001 0.000 0.203 205 K C 1.862 178.466 176.600 0.006 0.000 1.052 205 K CA 1.149 57.440 56.287 0.005 0.000 0.952 205 K CB -0.087 32.415 32.500 0.003 0.000 0.729 205 K HN 0.129 nan 8.250 nan 0.000 0.446 206 K N 1.052 121.456 120.400 0.006 0.000 2.439 206 K HA -0.037 4.283 4.320 -0.001 0.000 0.197 206 K C 1.525 178.131 176.600 0.009 0.000 1.041 206 K CA 0.694 56.985 56.287 0.007 0.000 0.970 206 K CB 0.141 32.645 32.500 0.006 0.000 0.773 206 K HN 0.093 nan 8.250 nan 0.000 0.479 207 K N 1.227 121.632 120.400 0.009 0.000 2.288 207 K HA -0.041 4.279 4.320 -0.001 0.000 0.201 207 K C 0.220 176.825 176.600 0.009 0.000 1.048 207 K CA 0.613 56.905 56.287 0.010 0.000 0.956 207 K CB 0.088 32.593 32.500 0.009 0.000 0.746 207 K HN 0.273 nan 8.250 nan 0.000 0.461 208 E N 1.518 121.723 120.200 0.008 0.000 2.404 208 E HA -0.022 4.327 4.350 -0.001 0.000 0.261 208 E C -0.542 176.063 176.600 0.009 0.000 1.074 208 E CA 0.042 56.447 56.400 0.008 0.000 0.917 208 E CB 0.497 30.201 29.700 0.007 0.000 0.965 208 E HN 0.123 nan 8.360 nan 0.000 0.433 209 E N 2.119 122.324 120.200 0.009 0.000 2.148 209 E HA -0.010 4.339 4.350 -0.001 0.000 0.308 209 E C -0.705 175.901 176.600 0.009 0.000 1.278 209 E CA 0.179 56.585 56.400 0.010 0.000 1.368 209 E CB -0.050 29.655 29.700 0.009 0.000 1.229 209 E HN 0.255 nan 8.360 nan 0.000 0.494 210 Q N 0.666 120.472 119.800 0.010 0.000 3.147 210 Q HA 0.092 4.432 4.340 -0.001 0.000 0.224 210 Q C -0.469 175.537 176.000 0.010 0.000 0.901 210 Q CA -0.420 55.389 55.803 0.009 0.000 0.729 210 Q CB 1.493 30.236 28.738 0.008 0.000 1.363 210 Q HN 0.503 nan 8.270 nan 0.000 0.467 211 S N -1.289 114.418 115.700 0.012 0.000 3.635 211 S HA -0.192 4.277 4.470 -0.001 0.000 0.328 211 S C 0.495 175.103 174.600 0.015 0.000 1.135 211 S CA 0.360 58.568 58.200 0.014 0.000 0.942 211 S CB -2.227 60.981 63.200 0.013 0.000 0.930 211 S HN 0.844 nan 8.310 nan 0.000 0.512 212 G N 0.811 109.620 108.800 0.015 0.000 2.225 212 G HA2 0.364 4.324 3.960 -0.001 0.000 0.245 212 G HA3 0.364 4.324 3.960 -0.001 0.000 0.245 212 G C 0.687 175.599 174.900 0.020 0.000 1.249 212 G CA 0.266 45.376 45.100 0.016 0.000 0.919 212 G HN 0.938 nan 8.290 nan 0.000 0.486 213 K N -0.082 120.331 120.400 0.020 0.000 3.548 213 K HA -0.148 4.172 4.320 -0.001 0.000 0.296 213 K C 0.901 177.515 176.600 0.025 0.000 1.324 213 K CA 0.873 57.175 56.287 0.025 0.000 0.976 213 K CB -1.107 31.411 32.500 0.031 0.000 1.294 213 K HN 0.451 nan 8.250 nan 0.000 0.464 214 M N 1.553 121.166 119.600 0.021 0.000 2.157 214 M HA 0.109 4.589 4.480 -0.001 0.000 0.304 214 M C 0.800 177.110 176.300 0.018 0.000 1.171 214 M CA 0.529 55.842 55.300 0.022 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 0.033 119.844 119.800 0.019 0.000 2.315 215 Q HA 0.291 4.631 4.340 -0.001 0.000 0.289 215 Q C 0.838 176.841 176.000 0.004 0.000 1.044 215 Q CA 0.991 56.802 55.803 0.012 0.000 0.920 215 Q CB 0.157 28.907 28.738 0.019 0.000 1.214 215 Q HN 1.023 nan 8.270 nan 0.000 0.392 216 G N 1.815 110.611 108.800 -0.006 0.000 2.367 216 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.181 216 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.181 216 G C 0.016 174.909 174.900 -0.011 0.000 1.000 216 G CA -0.111 44.984 45.100 -0.010 0.000 0.693 216 G HN 0.561 nan 8.290 nan 0.000 0.480 217 T N 1.895 116.445 114.554 -0.007 0.000 2.909 217 T HA 0.649 4.999 4.350 -0.001 0.000 0.299 217 T C -0.964 173.730 174.700 -0.009 0.000 1.073 217 T CA -0.501 61.595 62.100 -0.008 0.000 0.999 217 T CB 2.448 71.317 68.868 0.001 0.000 1.098 217 T HN 1.010 nan 8.240 nan 0.000 0.477 218 L N 1.555 122.769 121.223 -0.015 0.000 2.296 218 L HA 0.805 5.145 4.340 -0.001 0.000 0.286 218 L C 0.127 176.995 176.870 -0.004 0.000 1.023 218 L CA -0.275 54.554 54.840 -0.017 0.000 0.812 218 L CB 0.649 42.684 42.059 -0.039 0.000 1.223 218 L HN 0.995 nan 8.230 nan 0.000 0.421 219 E N 1.355 121.559 120.200 0.007 0.000 3.026 219 E HA -0.135 4.214 4.350 -0.001 0.000 0.271 219 E C 0.304 176.922 176.600 0.031 0.000 0.499 219 E CA 0.785 57.200 56.400 0.025 0.000 1.976 219 E CB -0.565 29.151 29.700 0.027 0.000 2.815 219 E HN 0.792 nan 8.360 nan 0.000 0.619 220 D N 0.509 120.921 120.400 0.021 0.000 2.414 220 D HA -0.015 4.625 4.640 -0.001 0.000 0.237 220 D C 1.773 178.085 176.300 0.021 0.000 0.975 220 D CA 0.990 55.006 54.000 0.025 0.000 0.917 220 D CB -0.206 40.606 40.800 0.020 0.000 1.061 220 D HN 0.238 nan 8.370 nan 0.000 0.480 221 Q N 0.987 120.789 119.800 0.004 0.000 2.077 221 Q HA -0.160 4.180 4.340 -0.001 0.000 0.206 221 Q C 2.323 178.322 176.000 -0.003 0.000 0.989 221 Q CA 0.971 56.769 55.803 -0.009 0.000 0.853 221 Q CB -0.258 28.457 28.738 -0.038 0.000 0.907 221 Q HN 0.266 nan 8.270 nan 0.000 0.418 222 I N 1.284 121.852 120.570 -0.003 0.000 2.113 222 I HA -0.300 3.869 4.170 -0.001 0.000 0.242 222 I C 2.498 178.636 176.117 0.034 0.000 1.064 222 I CA 1.536 62.839 61.300 0.006 0.000 1.320 222 I CB -0.852 37.156 38.000 0.013 0.000 1.028 222 I HN 0.247 nan 8.210 nan 0.000 0.406 223 I N 0.005 120.602 120.570 0.046 0.000 2.162 223 I HA -0.221 3.948 4.170 -0.001 0.000 0.238 223 I C 2.552 178.708 176.117 0.065 0.000 1.076 223 I CA 1.085 62.424 61.300 0.066 0.000 1.353 223 I CB -0.707 37.334 38.000 0.069 0.000 1.063 223 I HN 0.135 nan 8.210 nan 0.000 0.408 224 S N 1.063 116.794 115.700 0.052 0.000 2.441 224 S HA -0.237 4.232 4.470 -0.001 0.000 0.242 224 S C 2.145 176.781 174.600 0.060 0.000 1.018 224 S CA 1.271 59.504 58.200 0.055 0.000 0.988 224 S CB -0.421 62.806 63.200 0.044 0.000 0.778 224 S HN 0.549 nan 8.310 nan 0.000 0.498 225 A N 3.225 126.075 122.820 0.050 0.000 1.859 225 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 225 A C 1.955 179.588 177.584 0.082 0.000 1.198 225 A CA 1.909 53.973 52.037 0.045 0.000 0.629 225 A CB -0.927 18.088 19.000 0.026 0.000 0.830 225 A HN 0.607 nan 8.150 nan 0.000 0.446 226 N N 0.550 119.314 118.700 0.107 0.000 2.027 226 N HA -0.174 4.566 4.740 -0.001 0.000 0.200 226 N C -0.922 174.691 175.510 0.172 0.000 1.042 226 N CA 2.048 55.190 53.050 0.154 0.000 0.871 226 N CB -2.279 36.298 38.487 0.149 0.000 1.063 226 N HN 0.349 nan 8.380 nan 0.000 0.438 227 P HA -0.088 nan 4.420 nan 0.000 0.227 227 P C 1.551 178.935 177.300 0.140 0.000 1.145 227 P CA 0.673 63.854 63.100 0.135 0.000 0.769 227 P CB -0.001 31.758 31.700 0.099 0.000 0.769 228 L N -1.326 119.984 121.223 0.146 0.000 2.185 228 L HA 0.068 4.407 4.340 -0.001 0.000 0.198 228 L C 2.100 179.150 176.870 0.300 0.000 1.079 228 L CA 1.291 56.234 54.840 0.173 0.000 0.780 228 L CB -1.443 40.667 42.059 0.084 0.000 0.955 228 L HN -0.245 nan 8.230 nan 0.000 0.462 229 L N 0.487 121.846 121.223 0.225 0.000 2.051 229 L HA -0.257 4.083 4.340 -0.001 0.000 0.214 229 L C 2.593 179.760 176.870 0.494 0.000 1.076 229 L CA 1.771 56.790 54.840 0.299 0.000 0.758 229 L CB -1.248 40.974 42.059 0.271 0.000 0.890 229 L HN 0.437 nan 8.230 nan 0.000 0.433 230 E N -1.107 119.341 120.200 0.413 0.000 2.153 230 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 230 E C 2.166 178.978 176.600 0.352 0.000 0.988 230 E CA 1.099 57.740 56.400 0.402 0.000 0.811 230 E CB -0.117 29.772 29.700 0.316 0.000 0.746 230 E HN 0.525 nan 8.360 nan 0.000 0.466 231 A N 0.266 123.224 122.820 0.229 0.000 2.015 231 A HA -0.102 4.218 4.320 -0.001 0.000 0.219 231 A C 1.655 179.125 177.584 -0.190 0.000 1.163 231 A CA 1.021 53.062 52.037 0.006 0.000 0.646 231 A CB -0.331 18.500 19.000 -0.281 0.000 0.806 231 A HN 0.147 nan 8.150 nan 0.000 0.448 232 F N -1.235 118.801 119.950 0.144 0.000 2.559 232 F HA 0.252 4.779 4.527 -0.001 0.000 0.286 232 F C 2.258 178.008 175.800 -0.084 0.000 1.108 232 F CA 0.729 58.761 58.000 0.054 0.000 1.436 232 F CB -0.046 38.975 39.000 0.035 0.000 1.130 232 F HN 0.242 nan 8.300 nan 0.000 0.584 233 G N -0.753 108.266 108.800 0.365 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 -0.298 175.065 174.900 0.771 0.000 1.097 233 G CA -0.037 45.294 45.100 0.385 0.000 0.780 233 G HN 0.071 nan 8.290 nan 0.000 0.540 234 N N -0.228 118.785 118.700 0.523 0.000 2.265 234 N HA 0.825 5.565 4.740 -0.001 0.000 0.300 234 N C -0.326 174.976 175.510 -0.346 0.000 1.148 234 N CA -0.006 53.140 53.050 0.160 0.000 0.772 234 N CB 2.326 40.926 38.487 0.188 0.000 1.434 234 N HN 0.223 nan 8.380 nan 0.000 0.481 238 V N 1.088 120.978 119.914 -0.040 0.000 2.913 238 V HA -0.040 4.080 4.120 -0.001 0.000 0.260 238 V C 1.993 178.074 176.094 -0.021 0.000 1.098 238 V CA 1.757 64.034 62.300 -0.037 0.000 1.121 238 V CB -0.498 31.299 31.823 -0.043 0.000 0.714 238 V HN 0.666 nan 8.190 nan 0.000 0.487 239 R N -0.524 119.974 120.500 -0.004 0.000 2.087 239 R HA 0.163 4.502 4.340 -0.001 0.000 0.213 239 R C 0.900 177.218 176.300 0.030 0.000 1.137 239 R CA 0.365 56.475 56.100 0.017 0.000 1.022 239 R CB -0.073 30.250 30.300 0.038 0.000 0.920 239 R HN 0.428 nan 8.270 nan 0.000 0.451 240 N N 0.070 118.791 118.700 0.036 0.000 2.483 240 N HA 0.050 4.790 4.740 -0.001 0.000 0.285 240 N C -0.397 175.137 175.510 0.040 0.000 1.210 240 N CA -0.111 52.971 53.050 0.053 0.000 0.931 240 N CB 1.601 40.128 38.487 0.068 0.000 1.220 240 N HN -0.153 nan 8.380 nan 0.000 0.542 241 D N -0.593 119.839 120.400 0.054 0.000 2.423 241 D HA 0.118 4.758 4.640 -0.001 0.000 0.208 241 D C -0.394 175.975 176.300 0.114 0.000 1.068 241 D CA 0.526 54.557 54.000 0.052 0.000 0.860 241 D CB 0.191 41.006 40.800 0.024 0.000 0.992 241 D HN 0.406 nan 8.370 nan 0.000 0.504 242 N N -0.053 118.724 118.700 0.130 0.000 2.703 242 N HA 0.102 4.842 4.740 -0.001 0.000 0.283 242 N C -1.399 174.195 175.510 0.141 0.000 1.851 242 N CA -0.059 53.116 53.050 0.208 0.000 0.826 242 N CB 0.654 39.255 38.487 0.189 0.000 1.239 242 N HN -0.292 nan 8.380 nan 0.000 0.495 243 S N -0.213 115.540 115.700 0.088 0.000 2.565 243 S HA 0.267 4.737 4.470 -0.001 0.000 0.276 243 S C 0.110 174.729 174.600 0.032 0.000 1.326 243 S CA -0.193 58.035 58.200 0.047 0.000 1.045 243 S CB 0.488 63.701 63.200 0.023 0.000 0.918 243 S HN 0.331 nan 8.310 nan 0.000 0.505 244 S N 3.271 118.964 115.700 -0.011 0.000 2.430 244 S HA 0.207 4.677 4.470 -0.001 0.000 0.282 244 S C 0.935 175.493 174.600 -0.070 0.000 1.186 244 S CA -0.489 57.638 58.200 -0.121 0.000 1.060 244 S CB 0.015 63.069 63.200 -0.243 0.000 0.966 244 S HN 0.577 nan 8.310 nan 0.000 0.501 245 R N 3.379 123.934 120.500 0.092 0.000 2.480 245 R HA 0.199 4.538 4.340 -0.001 0.000 0.277 245 R C -0.432 176.058 176.300 0.316 0.000 1.008 245 R CA 0.104 56.322 56.100 0.197 0.000 1.090 245 R CB -0.564 29.857 30.300 0.202 0.000 1.234 245 R HN 0.649 nan 8.270 nan 0.000 0.549 246 F N -3.764 116.261 119.950 0.124 0.000 2.741 246 F HA 0.708 5.235 4.527 -0.001 0.000 0.313 246 F C -0.248 175.664 175.800 0.187 0.000 1.153 246 F CA -1.531 56.548 58.000 0.132 0.000 0.931 246 F CB 0.529 39.588 39.000 0.098 0.000 1.335 246 F HN -0.135 nan 8.300 nan 0.000 0.460 250 I N 5.512 125.923 120.570 -0.265 0.000 2.359 250 I HA 0.540 4.710 4.170 -0.001 0.000 0.294 250 I C -0.243 175.560 176.117 -0.523 0.000 0.987 250 I CA -0.730 60.388 61.300 -0.303 0.000 1.225 250 I CB 1.787 39.724 38.000 -0.106 0.000 1.366 250 I HN 0.447 nan 8.210 nan 0.000 0.466 251 R N 5.987 126.225 120.500 -0.437 0.000 2.275 251 R HA 0.530 4.870 4.340 -0.001 0.000 0.326 251 R C -1.033 175.077 176.300 -0.317 0.000 0.973 251 R CA -0.483 55.325 56.100 -0.487 0.000 0.854 251 R CB 1.002 30.873 30.300 -0.715 0.000 1.156 251 R HN 0.537 nan 8.270 nan 0.000 0.487 252 I N 3.470 123.881 120.570 -0.265 0.000 2.322 252 I HA 0.111 4.280 4.170 -0.001 0.000 0.292 252 I C -0.049 175.799 176.117 -0.448 0.000 1.060 252 I CA -0.377 60.702 61.300 -0.367 0.000 1.309 252 I CB 0.534 38.247 38.000 -0.478 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.469 125.348 119.070 -0.318 0.000 2.846 253 H HA 0.318 4.874 4.556 -0.001 0.000 0.278 253 H C -0.550 174.623 175.328 -0.258 0.000 1.117 253 H CA -0.082 55.883 56.048 -0.138 0.000 1.406 253 H CB 0.169 29.877 29.762 -0.089 0.000 1.445 253 H HN 0.323 nan 8.280 nan 0.000 0.469 254 F N 1.014 121.069 119.950 0.176 0.000 2.380 254 F HA 0.320 4.847 4.527 -0.001 0.000 0.325 254 F C 1.601 177.455 175.800 0.090 0.000 1.136 254 F CA 0.033 58.128 58.000 0.159 0.000 1.171 254 F CB 0.800 39.931 39.000 0.218 0.000 1.230 254 F HN 0.551 nan 8.300 nan 0.000 0.554 255 G N 0.241 109.199 108.800 0.264 0.000 2.494 255 G HA2 0.414 4.374 3.960 -0.001 0.000 0.270 255 G HA3 0.414 4.374 3.960 -0.001 0.000 0.270 255 G C 0.697 175.606 174.900 0.016 0.000 1.423 255 G CA -0.053 45.105 45.100 0.097 0.000 1.055 255 G HN 0.804 nan 8.290 nan 0.000 0.536 256 A N -1.445 121.364 122.820 -0.018 0.000 1.903 256 A HA 0.082 4.401 4.320 -0.001 0.000 0.213 256 A C 2.552 180.176 177.584 0.066 0.000 1.185 256 A CA 2.346 54.362 52.037 -0.036 0.000 0.628 256 A CB -1.137 17.846 19.000 -0.029 0.000 0.830 256 A HN 0.835 nan 8.150 nan 0.000 0.446 257 T N -3.141 111.457 114.554 0.073 0.000 2.622 257 T HA 0.232 4.581 4.350 -0.001 0.000 0.266 257 T C 1.524 176.294 174.700 0.116 0.000 1.047 257 T CA 2.051 64.203 62.100 0.087 0.000 1.159 257 T CB -0.596 68.323 68.868 0.086 0.000 0.863 257 T HN 1.523 nan 8.240 nan 0.000 0.422 258 G N 0.228 109.128 108.800 0.166 0.000 2.870 258 G HA2 0.020 3.980 3.960 -0.001 0.000 0.216 258 G HA3 0.020 3.980 3.960 -0.001 0.000 0.216 258 G C -0.177 174.943 174.900 0.367 0.000 0.973 258 G CA -0.588 44.634 45.100 0.204 0.000 0.807 258 G HN 0.500 nan 8.290 nan 0.000 0.573 259 K N 0.982 121.562 120.400 0.300 0.000 2.110 259 K HA 0.534 4.854 4.320 -0.001 0.000 0.263 259 K C 0.869 177.665 176.600 0.327 0.000 0.975 259 K CA -0.796 55.675 56.287 0.306 0.000 0.895 259 K CB 1.932 34.539 32.500 0.178 0.000 1.060 259 K HN 0.202 nan 8.250 nan 0.000 0.448 260 L N 1.498 122.911 121.223 0.318 0.000 2.640 260 L HA -0.247 4.093 4.340 -0.001 0.000 0.300 260 L C 1.060 177.949 176.870 0.033 0.000 1.259 260 L CA 0.552 55.457 54.840 0.108 0.000 0.879 260 L CB 0.284 42.378 42.059 0.059 0.000 1.125 260 L HN 0.915 nan 8.230 nan 0.000 0.507 261 A N 1.743 124.533 122.820 -0.051 0.000 1.895 261 A HA 0.385 4.705 4.320 -0.001 0.000 0.198 261 A C 0.353 177.895 177.584 -0.070 0.000 1.709 261 A CA 0.288 52.305 52.037 -0.034 0.000 1.194 261 A CB 0.576 19.575 19.000 -0.001 0.000 1.260 261 A HN 0.624 nan 8.150 nan 0.000 0.441 262 S N -1.945 113.706 115.700 -0.081 0.000 2.615 262 S HA 0.760 5.230 4.470 -0.001 0.000 0.269 262 S C -0.619 173.958 174.600 -0.040 0.000 1.161 262 S CA -0.093 58.054 58.200 -0.088 0.000 0.817 262 S CB 1.545 64.637 63.200 -0.180 0.000 1.131 262 S HN 1.479 nan 8.310 nan 0.000 0.467 263 A N 0.480 123.273 122.820 -0.045 0.000 2.532 263 A HA 0.888 5.208 4.320 -0.001 0.000 0.290 263 A C -1.926 175.629 177.584 -0.048 0.000 1.143 263 A CA -0.478 51.536 52.037 -0.038 0.000 0.728 263 A CB 1.693 20.645 19.000 -0.081 0.000 1.317 263 A HN 0.725 nan 8.150 nan 0.000 0.414 264 D N 1.115 121.469 120.400 -0.078 0.000 2.354 264 D HA 0.352 4.992 4.640 -0.001 0.000 0.230 264 D C -1.247 174.983 176.300 -0.116 0.000 1.361 264 D CA -0.021 53.919 54.000 -0.100 0.000 0.992 264 D CB 0.851 41.595 40.800 -0.094 0.000 1.409 264 D HN 0.482 nan 8.370 nan 0.000 0.573 265 I N 1.456 121.967 120.570 -0.097 0.000 2.566 265 I HA 0.415 4.584 4.170 -0.001 0.000 0.303 265 I C 0.272 176.351 176.117 -0.064 0.000 0.983 265 I CA -0.537 60.723 61.300 -0.066 0.000 1.235 265 I CB 1.815 39.777 38.000 -0.064 0.000 1.386 265 I HN 0.213 nan 8.210 nan 0.000 0.494 266 E N 2.183 122.368 120.200 -0.026 0.000 2.304 266 E HA 0.406 4.756 4.350 -0.001 0.000 0.277 266 E C -1.576 174.877 176.600 -0.246 0.000 0.898 266 E CA -0.494 55.825 56.400 -0.136 0.000 0.764 266 E CB 2.152 31.784 29.700 -0.113 0.000 1.216 266 E HN 0.544 nan 8.360 nan 0.000 0.419 267 T N 2.713 117.081 114.554 -0.310 0.000 2.855 267 T HA 0.536 4.886 4.350 -0.001 0.000 0.281 267 T C -1.411 173.097 174.700 -0.320 0.000 1.007 267 T CA -0.346 61.671 62.100 -0.138 0.000 1.009 267 T CB 0.418 69.323 68.868 0.062 0.000 0.983 267 T HN 0.253 nan 8.240 nan 0.000 0.455 268 Y N 0.878 121.358 120.300 0.300 0.000 2.442 268 Y HA 0.525 5.075 4.550 -0.000 0.000 0.344 268 Y C 0.010 176.038 175.900 0.214 0.000 0.976 268 Y CA -1.721 56.525 58.100 0.243 0.000 1.040 268 Y CB 1.063 39.672 38.460 0.248 0.000 1.228 268 Y HN 0.514 nan 8.280 nan 0.000 0.451 269 L N 3.041 124.427 121.223 0.271 0.000 3.642 269 L HA -0.250 4.089 4.340 -0.001 0.000 0.613 269 L C -0.808 176.145 176.870 0.139 0.000 1.064 269 L CA 0.228 55.141 54.840 0.123 0.000 1.039 269 L CB -0.778 41.313 42.059 0.054 0.000 1.226 269 L HN 0.496 nan 8.230 nan 0.000 0.764 270 L N 2.289 123.561 121.223 0.081 0.000 2.350 270 L HA 0.383 4.723 4.340 -0.001 0.000 0.275 270 L C 0.876 177.783 176.870 0.061 0.000 1.099 270 L CA 0.376 55.243 54.840 0.044 0.000 0.808 270 L CB 1.243 43.189 42.059 -0.188 0.000 1.149 270 L HN 0.361 nan 8.230 nan 0.000 0.442 274 R N 1.705 122.236 120.500 0.052 0.000 2.091 274 R HA -0.021 4.319 4.340 -0.001 0.000 0.238 274 R C 1.861 178.141 176.300 -0.032 0.000 1.136 274 R CA 1.784 57.862 56.100 -0.036 0.000 0.959 274 R CB -0.827 29.277 30.300 -0.326 0.000 0.856 274 R HN 0.330 nan 8.270 nan 0.000 0.437 275 V N 0.316 120.237 119.914 0.012 0.000 2.527 275 V HA -0.258 3.862 4.120 -0.001 0.000 0.255 275 V C 1.748 177.663 176.094 -0.299 0.000 1.081 275 V CA 2.171 64.386 62.300 -0.143 0.000 1.092 275 V CB -0.461 31.204 31.823 -0.263 0.000 0.673 275 V HN 0.424 nan 8.190 nan 0.000 0.470 276 T N -2.537 111.840 114.554 -0.295 0.000 2.958 276 T HA 0.324 4.673 4.350 -0.001 0.000 0.256 276 T C -0.185 174.406 174.700 -0.182 0.000 0.983 276 T CA 0.002 61.793 62.100 -0.515 0.000 0.924 276 T CB 0.357 68.962 68.868 -0.439 0.000 1.136 276 T HN 0.297 nan 8.240 nan 0.000 0.506 277 F N 2.052 121.850 119.950 -0.254 0.000 2.692 277 F HA 0.631 5.157 4.527 -0.001 0.000 0.320 277 F C -1.859 173.849 175.800 -0.154 0.000 1.123 277 F CA -0.893 56.996 58.000 -0.184 0.000 0.961 277 F CB 1.603 40.520 39.000 -0.139 0.000 1.383 277 F HN -0.074 nan 8.300 nan 0.000 0.483 278 Q N 3.510 122.729 119.800 -0.967 0.000 2.518 278 Q HA 0.324 4.664 4.340 -0.001 0.000 0.254 278 Q C -2.166 173.227 176.000 -1.011 0.000 0.962 278 Q CA -0.784 54.567 55.803 -0.754 0.000 0.982 278 Q CB 1.669 30.188 28.738 -0.364 0.000 1.516 278 Q HN 0.786 nan 8.270 nan 0.000 0.426 279 L N 2.583 123.442 121.223 -0.607 0.000 2.472 279 L HA 0.197 4.536 4.340 -0.001 0.000 0.260 279 L C -1.199 175.503 176.870 -0.281 0.000 1.209 279 L CA -1.553 53.049 54.840 -0.396 0.000 0.817 279 L CB 0.241 42.193 42.059 -0.177 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 -0.104 0.000 1.148 280 P CA 1.251 64.274 63.100 -0.128 0.000 0.822 280 P CB 0.184 31.834 31.700 -0.083 0.000 0.784 281 A N -1.384 121.375 122.820 -0.102 0.000 2.348 281 A HA 0.108 4.428 4.320 -0.001 0.000 0.224 281 A C 0.871 178.396 177.584 -0.099 0.000 1.227 281 A CA -0.004 51.982 52.037 -0.086 0.000 0.885 281 A CB -0.177 18.782 19.000 -0.068 0.000 0.933 281 A HN 0.159 nan 8.150 nan 0.000 0.506 282 E N -0.172 119.952 120.200 -0.127 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 -0.152 0.000 0.969 282 E CA -1.009 55.311 56.400 -0.133 0.000 0.881 282 E CB 0.989 30.604 29.700 -0.142 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 -0.143 0.000 2.752 283 R HA 0.456 4.796 4.340 -0.001 0.000 0.271 283 R C -0.832 175.431 176.300 -0.063 0.000 1.026 283 R CA -0.673 55.361 56.100 -0.110 0.000 0.901 283 R CB 1.610 31.787 30.300 -0.206 0.000 1.243 283 R HN 0.437 nan 8.270 nan 0.000 0.463 284 S N -0.292 115.479 115.700 0.118 0.000 2.640 284 S HA 0.298 4.768 4.470 -0.001 0.000 0.262 284 S C -0.412 174.250 174.600 0.104 0.000 1.232 284 S CA -0.552 57.666 58.200 0.029 0.000 0.988 284 S CB 0.053 63.297 63.200 0.073 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.431 121.845 120.300 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 0.143 0.000 1.274 285 Y CA 0.711 58.843 58.100 0.053 0.000 1.489 285 Y CB 0.186 38.682 38.460 0.060 0.000 1.348 285 Y HN 0.660 nan 8.280 nan 0.000 0.646 286 H N 1.382 120.624 119.070 0.286 0.000 2.326 286 H HA -0.151 4.405 4.556 -0.001 0.000 0.301 286 H C 2.355 177.731 175.328 0.079 0.000 1.081 286 H CA 1.668 57.852 56.048 0.226 0.000 1.334 286 H CB -0.453 29.378 29.762 0.115 0.000 1.385 286 H HN 0.809 nan 8.280 nan 0.000 0.504 287 I N 0.781 121.303 120.570 -0.079 0.000 2.161 287 I HA -0.404 3.765 4.170 -0.001 0.000 0.246 287 I C 1.918 177.872 176.117 -0.271 0.000 1.048 287 I CA 1.594 62.668 61.300 -0.377 0.000 1.314 287 I CB -0.290 37.162 38.000 -0.913 0.000 1.014 287 I HN -0.045 nan 8.210 nan 0.000 0.418 288 F N -0.209 119.649 119.950 -0.153 0.000 2.069 288 F HA -0.235 4.292 4.527 -0.001 0.000 0.298 288 F C 2.217 177.806 175.800 -0.353 0.000 1.113 288 F CA 1.899 59.696 58.000 -0.339 0.000 1.214 288 F CB -1.320 37.315 39.000 -0.608 0.000 0.978 288 F HN 0.111 nan 8.300 nan 0.000 0.474 289 Y N -0.584 119.832 120.300 0.192 0.000 2.373 289 Y HA -0.125 4.424 4.550 -0.001 0.000 0.293 289 Y C 2.454 178.382 175.900 0.047 0.000 1.129 289 Y CA 0.774 58.929 58.100 0.093 0.000 1.226 289 Y CB -1.072 37.437 38.460 0.082 0.000 1.000 289 Y HN 0.115 nan 8.280 nan 0.000 0.549 290 Q N 0.507 120.400 119.800 0.155 0.000 1.967 290 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 290 Q C 2.260 178.288 176.000 0.046 0.000 0.985 290 Q CA 2.026 57.876 55.803 0.078 0.000 0.839 290 Q CB -0.342 28.414 28.738 0.029 0.000 0.906 290 Q HN 0.442 nan 8.270 nan 0.000 0.423 291 I N 0.164 120.746 120.570 0.021 0.000 2.185 291 I HA -0.345 3.824 4.170 -0.001 0.000 0.246 291 I C 2.061 178.169 176.117 -0.014 0.000 1.088 291 I CA 1.429 62.727 61.300 -0.003 0.000 1.347 291 I CB -0.224 37.774 38.000 -0.002 0.000 1.041 291 I HN 0.431 nan 8.210 nan 0.000 0.415 292 M N 0.024 119.624 119.600 -0.000 0.000 2.659 292 M HA -0.063 4.416 4.480 -0.001 0.000 0.243 292 M C 2.215 178.537 176.300 0.037 0.000 1.111 292 M CA 0.734 56.038 55.300 0.006 0.000 1.070 292 M CB -0.226 32.373 32.600 -0.001 0.000 1.525 292 M HN 0.287 nan 8.290 nan 0.000 0.517 293 S N 0.298 116.023 115.700 0.042 0.000 2.402 293 S HA -0.075 4.395 4.470 -0.001 0.000 0.229 293 S C 0.643 175.258 174.600 0.025 0.000 1.021 293 S CA 0.900 59.125 58.200 0.042 0.000 0.974 293 S CB -0.366 62.857 63.200 0.039 0.000 0.800 293 S HN 0.705 nan 8.310 nan 0.000 0.484 298 E N 1.158 121.335 120.200 -0.037 0.000 2.097 298 E HA -0.150 4.200 4.350 -0.001 0.000 0.196 298 E C 1.775 178.348 176.600 -0.046 0.000 1.000 298 E CA 1.294 57.674 56.400 -0.032 0.000 0.804 298 E CB -0.635 29.043 29.700 -0.037 0.000 0.740 298 E HN 0.138 nan 8.360 nan 0.000 0.454 299 L N 0.362 121.523 121.223 -0.103 0.000 2.021 299 L HA -0.215 4.125 4.340 -0.001 0.000 0.215 299 L C 2.234 179.062 176.870 -0.070 0.000 1.074 299 L CA 1.529 56.275 54.840 -0.156 0.000 0.760 299 L CB -0.608 41.279 42.059 -0.287 0.000 0.889 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 I N -0.625 119.920 120.570 -0.042 0.000 2.208 300 I HA -0.304 3.865 4.170 -0.001 0.000 0.245 300 I C 2.068 178.209 176.117 0.041 0.000 1.097 300 I CA 1.569 62.869 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 -0.546 119.875 120.400 0.034 0.000 2.213 301 D HA -0.110 4.529 4.640 -0.001 0.000 0.205 301 D C 2.118 178.463 176.300 0.074 0.000 0.961 301 D CA 0.910 54.942 54.000 0.053 0.000 0.853 301 D CB -0.061 40.761 40.800 0.036 0.000 0.967 301 D HN 0.364 nan 8.370 nan 0.000 0.496 302 M N 0.355 119.990 119.600 0.058 0.000 2.132 302 M HA -0.148 4.332 4.480 -0.001 0.000 0.263 302 M C 1.332 177.713 176.300 0.134 0.000 1.065 302 M CA 1.310 56.660 55.300 0.084 0.000 1.122 302 M CB 0.178 32.796 32.600 0.031 0.000 1.365 302 M HN -0.112 nan 8.290 nan 0.000 0.411 303 L N 0.256 121.549 121.223 0.116 0.000 2.446 303 L HA 0.241 4.580 4.340 -0.001 0.000 0.219 303 L C 0.687 177.720 176.870 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 41.739 42.059 0.109 0.000 0.970 303 L HN 0.469 nan 8.230 nan 0.000 0.457 304 L N -0.523 120.830 121.223 0.217 0.000 3.487 304 L HA -0.206 4.134 4.340 -0.001 0.000 0.450 304 L C -0.263 176.810 176.870 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 40.152 42.059 0.220 0.000 1.804 304 L HN 0.189 nan 8.230 nan 0.000 0.831 305 I N -4.528 116.178 120.570 0.227 0.000 3.445 305 I HA 0.879 5.049 4.170 -0.001 0.000 0.303 305 I C 0.824 177.065 176.117 0.207 0.000 1.129 305 I CA -0.447 61.003 61.300 0.250 0.000 0.989 305 I CB 1.782 39.769 38.000 -0.021 0.000 1.314 305 I HN 0.042 nan 8.210 nan 0.000 0.488 306 T N -2.345 112.379 114.554 0.284 0.000 2.876 306 T HA 0.389 4.738 4.350 -0.001 0.000 0.277 306 T C 0.731 175.515 174.700 0.141 0.000 0.997 306 T CA 0.190 62.412 62.100 0.202 0.000 0.966 306 T CB 1.206 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 0.123 0.000 3.001 307 T HA 0.207 4.557 4.350 -0.001 0.000 0.251 307 T C 0.569 175.341 174.700 0.119 0.000 1.040 307 T CA -0.295 61.859 62.100 0.090 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 2.725 121.525 118.700 0.167 0.000 2.439 308 N HA 0.322 5.062 4.740 -0.001 0.000 0.249 308 N C -2.221 173.437 175.510 0.247 0.000 1.003 308 N CA -2.615 50.554 53.050 0.199 0.000 0.942 308 N CB 1.838 40.442 38.487 0.196 0.000 1.115 308 N HN -0.072 nan 8.380 nan 0.000 0.505 309 P HA -0.029 nan 4.420 nan 0.000 0.226 309 P C 0.274 177.619 177.300 0.075 0.000 1.153 309 P CA 0.926 64.093 63.100 0.110 0.000 0.777 309 P CB -0.042 31.623 31.700 -0.058 0.000 0.794 310 Y N -0.419 119.967 120.300 0.142 0.000 2.584 310 Y HA -0.045 4.505 4.550 -0.001 0.000 0.317 310 Y C 1.450 177.354 175.900 0.007 0.000 1.208 310 Y CA 0.696 58.843 58.100 0.079 0.000 1.299 310 Y CB -0.830 37.660 38.460 0.049 0.000 1.047 310 Y HN -0.040 nan 8.280 nan 0.000 0.506 311 D N -1.655 118.787 120.400 0.070 0.000 2.369 311 D HA 0.028 4.668 4.640 -0.001 0.000 0.211 311 D C -0.756 175.027 176.300 -0.862 0.000 1.077 311 D CA 0.496 54.268 54.000 -0.380 0.000 0.842 311 D CB 0.157 40.649 40.800 -0.514 0.000 0.947 311 D HN 0.227 nan 8.370 nan 0.000 0.509 312 Y N -0.159 120.139 120.300 -0.003 0.000 2.705 312 Y HA 0.185 4.735 4.550 -0.001 0.000 0.355 312 Y C 1.101 176.997 175.900 -0.007 0.000 1.039 312 Y CA -1.019 57.049 58.100 -0.054 0.000 1.233 312 Y CB 0.187 38.559 38.460 -0.147 0.000 1.103 312 Y HN -0.152 nan 8.280 nan 0.000 0.624 313 H N 1.155 120.227 119.070 0.003 0.000 2.330 313 H HA -0.306 4.250 4.556 -0.001 0.000 0.290 313 H C 1.335 176.748 175.328 0.141 0.000 1.111 313 H CA 2.547 58.624 56.048 0.048 0.000 1.226 313 H CB -0.017 29.744 29.762 -0.001 0.000 1.355 313 H HN 0.609 nan 8.280 nan 0.000 0.485 314 Y N -0.342 119.845 120.300 -0.188 0.000 2.193 314 Y HA -0.142 4.408 4.550 -0.001 0.000 0.285 314 Y C 2.728 178.440 175.900 -0.312 0.000 1.166 314 Y CA 1.589 59.524 58.100 -0.276 0.000 1.181 314 Y CB -0.802 37.555 38.460 -0.173 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.155 117.681 119.914 -0.130 0.000 3.319 315 V HA 0.313 4.432 4.120 -0.001 0.000 0.317 315 V C 0.568 176.630 176.094 -0.053 0.000 1.411 315 V CA 0.670 62.839 62.300 -0.218 0.000 1.112 315 V CB -0.201 31.283 31.823 -0.565 0.000 1.031 315 V HN 0.320 nan 8.190 nan 0.000 0.448 316 S N -2.049 113.611 115.700 -0.067 0.000 2.901 316 S HA 0.395 4.864 4.470 -0.001 0.000 0.248 316 S C 0.556 175.120 174.600 -0.059 0.000 1.021 316 S CA -0.140 57.998 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 0.835 120.973 120.200 -0.103 0.000 2.299 317 E HA 0.150 4.499 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 0.697 57.028 56.400 -0.115 0.000 0.851 317 E CB 0.154 29.706 29.700 -0.246 0.000 0.795 317 E HN 0.723 nan 8.360 nan 0.000 0.492 318 G N 0.518 109.229 108.800 -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 0.073 174.914 174.900 -0.099 0.000 1.950 318 G CA -0.353 44.661 45.100 -0.145 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 -0.135 0.000 2.249 319 E HA 0.531 4.880 4.350 -0.001 0.000 0.263 319 E C 0.457 176.897 176.600 -0.266 0.000 0.950 319 E CA -0.587 55.723 56.400 -0.150 0.000 0.827 319 E CB 2.663 32.277 29.700 -0.143 0.000 1.220 319 E HN 0.262 nan 8.360 nan 0.000 0.411 320 I N -0.385 120.015 120.570 -0.283 0.000 3.971 320 I HA 0.022 4.192 4.170 -0.001 0.000 0.303 320 I C 0.965 176.818 176.117 -0.440 0.000 1.233 320 I CA 0.515 61.568 61.300 -0.412 0.000 1.346 320 I CB 1.010 38.884 38.000 -0.209 0.000 1.273 320 I HN 0.285 nan 8.210 nan 0.000 0.448 321 T N 1.122 115.533 114.554 -0.239 0.000 2.863 321 T HA 0.661 5.011 4.350 -0.001 0.000 0.285 321 T C -1.118 173.497 174.700 -0.143 0.000 1.009 321 T CA -0.479 61.518 62.100 -0.172 0.000 0.989 321 T CB 1.541 70.360 68.868 -0.081 0.000 1.004 321 T HN -0.226 nan 8.240 nan 0.000 0.455 322 V N 7.777 127.616 119.914 -0.126 0.000 2.483 322 V HA 0.343 4.462 4.120 -0.001 0.000 0.297 322 V C -1.626 174.426 176.094 -0.070 0.000 1.027 322 V CA -1.668 60.575 62.300 -0.094 0.000 0.855 322 V CB 1.782 33.548 31.823 -0.096 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 1.647 178.923 177.300 -0.040 0.000 1.153 323 P CA 1.703 64.778 63.100 -0.042 0.000 0.853 323 P CB 0.165 31.844 31.700 -0.036 0.000 0.788 324 S N -1.097 114.578 115.700 -0.040 0.000 2.603 324 S HA 0.009 4.479 4.470 -0.001 0.000 0.229 324 S C 0.807 175.381 174.600 -0.043 0.000 0.972 324 S CA -0.059 58.120 58.200 -0.034 0.000 0.935 324 S CB -1.237 61.949 63.200 -0.025 0.000 0.769 324 S HN 0.103 nan 8.310 nan 0.000 0.536 325 I N 0.597 121.130 120.570 -0.061 0.000 2.474 325 I HA 0.514 4.683 4.170 -0.001 0.000 0.294 325 I C -1.101 174.976 176.117 -0.066 0.000 1.005 325 I CA -0.907 60.343 61.300 -0.083 0.000 1.113 325 I CB 1.681 39.597 38.000 -0.140 0.000 1.289 325 I HN -0.128 nan 8.210 nan 0.000 0.436 326 D N 4.638 125.004 120.400 -0.057 0.000 2.479 326 D HA 0.167 4.806 4.640 -0.001 0.000 0.247 326 D C 0.735 177.016 176.300 -0.031 0.000 1.119 326 D CA -0.228 53.751 54.000 -0.035 0.000 0.922 326 D CB 0.641 41.427 40.800 -0.024 0.000 1.014 326 D HN 0.396 nan 8.370 nan 0.000 0.510 327 D N 1.876 122.261 120.400 -0.024 0.000 2.203 327 D HA -0.220 4.420 4.640 -0.001 0.000 0.199 327 D C 1.517 177.823 176.300 0.009 0.000 0.997 327 D CA 1.098 55.097 54.000 -0.001 0.000 0.863 327 D CB 0.367 41.191 40.800 0.040 0.000 0.928 327 D HN 0.634 nan 8.370 nan 0.000 0.458 328 Q N 0.495 120.299 119.800 0.006 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 0.007 0.000 0.974 328 Q CA 0.790 56.598 55.803 0.008 0.000 0.840 328 Q CB -0.146 28.595 28.738 0.006 0.000 0.898 328 Q HN 0.434 nan 8.270 nan 0.000 0.430 329 E N 0.534 120.735 120.200 0.002 0.000 2.072 329 E HA -0.146 4.203 4.350 -0.001 0.000 0.190 329 E C 1.992 178.598 176.600 0.010 0.000 0.982 329 E CA 0.599 57.001 56.400 0.005 0.000 0.803 329 E CB 0.312 30.011 29.700 -0.001 0.000 0.755 329 E HN 0.278 nan 8.360 nan 0.000 0.453 330 E N 0.746 120.948 120.200 0.002 0.000 2.077 330 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 330 E C 2.309 178.923 176.600 0.022 0.000 0.989 330 E CA 0.547 56.950 56.400 0.006 0.000 0.800 330 E CB -0.405 29.283 29.700 -0.019 0.000 0.746 330 E HN 0.293 nan 8.360 nan 0.000 0.452 331 L N 0.660 121.898 121.223 0.025 0.000 2.051 331 L HA -0.246 4.093 4.340 -0.001 0.000 0.214 331 L C 2.526 179.433 176.870 0.062 0.000 1.076 331 L CA 1.360 56.227 54.840 0.045 0.000 0.758 331 L CB -0.149 41.932 42.059 0.037 0.000 0.890 331 L HN 0.145 nan 8.230 nan 0.000 0.433 332 M N -1.456 118.171 119.600 0.045 0.000 2.156 332 M HA -0.097 4.382 4.480 -0.001 0.000 0.264 332 M C 2.517 178.847 176.300 0.051 0.000 1.067 332 M CA 1.539 56.868 55.300 0.049 0.000 1.131 332 M CB -1.315 31.305 32.600 0.034 0.000 1.368 332 M HN 0.369 nan 8.290 nan 0.000 0.416 333 A N 0.958 123.803 122.820 0.042 0.000 1.892 333 A HA -0.183 4.137 4.320 -0.001 0.000 0.218 333 A C 2.381 179.996 177.584 0.051 0.000 1.188 333 A CA 2.646 54.709 52.037 0.044 0.000 0.631 333 A CB -1.334 17.690 19.000 0.041 0.000 0.822 333 A HN 0.497 nan 8.150 nan 0.000 0.447 334 T N -0.252 114.331 114.554 0.049 0.000 2.622 334 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 334 T C 1.797 176.526 174.700 0.047 0.000 1.047 334 T CA 1.458 63.584 62.100 0.044 0.000 1.159 334 T CB -0.497 68.385 68.868 0.022 0.000 0.863 334 T HN 0.575 nan 8.240 nan 0.000 0.422 335 D N 0.999 121.448 120.400 0.082 0.000 2.137 335 D HA -0.128 4.512 4.640 -0.001 0.000 0.189 335 D C 2.340 178.683 176.300 0.072 0.000 0.998 335 D CA 1.875 55.943 54.000 0.113 0.000 0.839 335 D CB -0.270 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 0.747 116.485 115.700 0.065 0.000 2.387 336 S HA -0.172 4.298 4.470 -0.001 0.000 0.230 336 S C 2.236 176.867 174.600 0.052 0.000 1.035 336 S CA 1.436 59.669 58.200 0.055 0.000 1.014 336 S CB -0.476 62.752 63.200 0.047 0.000 0.836 336 S HN 0.480 nan 8.310 nan 0.000 0.466 337 A N 1.732 124.583 122.820 0.051 0.000 1.902 337 A HA -0.036 4.284 4.320 -0.001 0.000 0.217 337 A C 2.116 179.740 177.584 0.067 0.000 1.181 337 A CA 1.236 53.306 52.037 0.055 0.000 0.623 337 A CB -0.776 18.258 19.000 0.056 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 0.040 0.000 2.127 338 I HA -0.301 3.868 4.170 -0.001 0.000 0.241 338 I C 2.089 178.307 176.117 0.169 0.000 1.075 338 I CA 1.756 63.078 61.300 0.037 0.000 1.334 338 I CB -0.578 37.351 38.000 -0.118 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 0.098 0.000 2.103 339 D HA -0.207 4.432 4.640 -0.001 0.000 0.190 339 D C 2.227 178.571 176.300 0.073 0.000 0.997 339 D CA 1.646 55.700 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 0.764 121.368 120.570 0.057 0.000 2.335 340 I HA -0.248 3.922 4.170 -0.001 0.000 0.251 340 I C 2.222 178.348 176.117 0.015 0.000 1.129 340 I CA 0.619 61.938 61.300 0.031 0.000 1.402 340 I CB -0.164 37.854 38.000 0.030 0.000 1.069 340 I HN -0.041 nan 8.210 nan 0.000 0.424 341 L N 0.551 121.805 121.223 0.053 0.000 2.633 341 L HA -0.015 4.325 4.340 -0.001 0.000 0.235 341 L C 1.638 178.430 176.870 -0.130 0.000 1.163 341 L CA 0.879 55.721 54.840 0.004 0.000 0.859 341 L CB -0.602 41.509 42.059 0.086 0.000 0.973 341 L HN 0.505 nan 8.230 nan 0.000 0.451 342 G N -1.238 107.531 108.800 -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 0.222 175.045 174.900 -0.129 0.000 0.981 342 G CA -0.474 44.559 45.100 -0.112 0.000 0.665 342 G HN 0.161 nan 8.290 nan 0.000 0.528 343 F N 1.542 121.428 119.950 -0.107 0.000 2.506 343 F HA 0.520 5.047 4.527 -0.001 0.000 0.351 343 F C 1.371 177.143 175.800 -0.046 0.000 1.136 343 F CA 0.746 58.680 58.000 -0.110 0.000 1.298 343 F CB 1.172 40.088 39.000 -0.139 0.000 1.145 343 F HN 0.074 nan 8.300 nan 0.000 0.593 344 S N 1.765 117.579 115.700 0.191 0.000 2.576 344 S HA 0.355 4.824 4.470 -0.001 0.000 0.276 344 S C 1.093 175.775 174.600 0.137 0.000 1.339 344 S CA -0.147 58.131 58.200 0.130 0.000 1.039 344 S CB 0.930 64.201 63.200 0.118 0.000 0.902 344 S HN 0.779 nan 8.310 nan 0.000 0.516 345 A N 3.631 126.509 122.820 0.097 0.000 1.908 345 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 345 A C 1.768 179.407 177.584 0.091 0.000 1.181 345 A CA 2.276 54.367 52.037 0.090 0.000 0.627 345 A CB -1.234 17.809 19.000 0.073 0.000 0.818 345 A HN 0.961 nan 8.150 nan 0.000 0.445 346 D N -0.147 120.304 120.400 0.084 0.000 2.103 346 D HA -0.126 4.513 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 1.393 55.437 54.000 0.074 0.000 0.833 346 D CB -0.123 40.718 40.800 0.069 0.000 0.961 346 D HN 0.673 nan 8.370 nan 0.000 0.447 350 A N 1.993 124.824 122.820 0.018 0.000 1.883 350 A HA 0.015 4.335 4.320 -0.001 0.000 0.217 350 A C 2.099 179.649 177.584 -0.055 0.000 1.186 350 A CA 1.593 53.606 52.037 -0.040 0.000 0.624 350 A CB -0.884 18.066 19.000 -0.083 0.000 0.822 350 A HN 0.537 nan 8.150 nan 0.000 0.444 351 I N -1.580 118.946 120.570 -0.074 0.000 2.118 351 I HA -0.245 3.924 4.170 -0.001 0.000 0.241 351 I C 1.410 177.477 176.117 -0.083 0.000 1.070 351 I CA 1.194 62.399 61.300 -0.158 0.000 1.327 351 I CB -0.917 36.884 38.000 -0.332 0.000 1.034 351 I HN 0.309 nan 8.210 nan 0.000 0.405 355 T N -0.648 113.957 114.554 0.084 0.000 3.035 355 T HA 0.055 4.404 4.350 -0.001 0.000 0.268 355 T C 1.475 176.319 174.700 0.239 0.000 1.109 355 T CA 1.312 63.513 62.100 0.167 0.000 1.119 355 T CB -0.115 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 0.641 109.542 108.800 0.169 0.000 2.545 356 G HA2 0.260 4.219 3.960 -0.001 0.000 0.212 356 G HA3 0.260 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 0.131 0.000 0.813 356 G HN 0.482 nan 8.290 nan 0.000 0.531 357 A N 0.786 123.729 122.820 0.204 0.000 1.892 357 A HA -0.052 4.268 4.320 -0.001 0.000 0.218 357 A C 2.567 180.224 177.584 0.122 0.000 1.188 357 A CA 2.044 54.214 52.037 0.222 0.000 0.631 357 A CB -0.860 18.163 19.000 0.040 0.000 0.822 357 A HN 0.268 nan 8.150 nan 0.000 0.447 358 V N 0.190 120.108 119.914 0.007 0.000 2.324 358 V HA -0.368 3.752 4.120 -0.001 0.000 0.250 358 V C 2.682 178.903 176.094 0.212 0.000 1.060 358 V CA 2.304 64.634 62.300 0.050 0.000 1.042 358 V CB -0.756 31.191 31.823 0.207 0.000 0.650 358 V HN 0.575 nan 8.190 nan 0.000 0.450 359 M N -0.941 118.741 119.600 0.137 0.000 2.086 359 M HA -0.198 4.282 4.480 -0.001 0.000 0.261 359 M C 2.205 178.560 176.300 0.092 0.000 1.067 359 M CA 2.108 57.413 55.300 0.009 0.000 1.116 359 M CB -0.877 31.562 32.600 -0.268 0.000 1.348 359 M HN 0.435 nan 8.290 nan 0.000 0.407 360 H N -1.025 118.198 119.070 0.255 0.000 2.387 360 H HA -0.184 4.371 4.556 -0.001 0.000 0.299 360 H C 1.886 177.354 175.328 0.234 0.000 1.099 360 H CA 1.743 57.949 56.048 0.264 0.000 1.315 360 H CB -0.068 29.864 29.762 0.284 0.000 1.380 360 H HN 0.251 nan 8.280 nan 0.000 0.513 361 Y N 0.209 120.610 120.300 0.169 0.000 2.114 361 Y HA -0.169 4.380 4.550 -0.001 0.000 0.282 361 Y C 2.763 178.577 175.900 -0.144 0.000 1.165 361 Y CA 1.399 59.567 58.100 0.113 0.000 1.148 361 Y CB -0.947 37.663 38.460 0.251 0.000 0.972 361 Y HN 0.265 nan 8.280 nan 0.000 0.504 362 G N -0.892 107.590 108.800 -0.530 0.000 2.586 362 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.215 362 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.215 362 G C 1.383 175.994 174.900 -0.481 0.000 1.128 362 G CA 0.909 45.128 45.100 -1.467 0.000 0.774 362 G HN 0.311 nan 8.290 nan 0.000 0.543 363 N N -0.656 117.926 118.700 -0.197 0.000 2.282 363 N HA 0.129 4.869 4.740 -0.001 0.000 0.185 363 N C 0.257 175.717 175.510 -0.084 0.000 1.099 363 N CA -0.331 52.653 53.050 -0.110 0.000 0.878 363 N CB 0.229 38.684 38.487 -0.055 0.000 0.993 363 N HN 0.135 nan 8.380 nan 0.000 0.481 364 L N 1.396 122.590 121.223 -0.049 0.000 2.513 364 L HA 0.036 4.376 4.340 -0.001 0.000 0.272 364 L C 0.272 177.094 176.870 -0.080 0.000 1.187 364 L CA 0.717 55.499 54.840 -0.097 0.000 0.895 364 L CB 0.176 42.219 42.059 -0.027 0.000 1.147 364 L HN -0.157 nan 8.230 nan 0.000 0.483 365 K N 2.911 123.130 120.400 -0.301 0.000 2.328 365 K HA 0.750 5.070 4.320 -0.001 0.000 0.246 365 K C -1.223 175.019 176.600 -0.596 0.000 0.955 365 K CA -0.286 55.908 56.287 -0.155 0.000 0.817 365 K CB 1.366 33.793 32.500 -0.121 0.000 1.208 365 K HN 0.219 nan 8.250 nan 0.000 0.432 371 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 -0.326 175.982 176.300 0.014 0.000 1.079 371 R CA 1.446 57.553 56.100 0.012 0.000 1.269 371 R CB -0.905 29.402 30.300 0.011 0.000 1.856 371 R HN 0.574 nan 8.270 nan 0.000 0.551 372 E N 0.209 120.420 120.200 0.017 0.000 2.336 372 E HA 0.237 4.587 4.350 -0.001 0.000 0.267 372 E C -0.453 176.155 176.600 0.013 0.000 0.906 372 E CA -0.545 55.867 56.400 0.020 0.000 0.781 372 E CB 1.723 31.444 29.700 0.033 0.000 1.261 372 E HN 0.134 nan 8.360 nan 0.000 0.436 373 E N 0.922 121.126 120.200 0.008 0.000 2.451 373 E HA 0.015 4.365 4.350 -0.001 0.000 0.194 373 E C -0.240 176.348 176.600 -0.020 0.000 1.027 373 E CA -0.064 56.333 56.400 -0.005 0.000 0.914 373 E CB 0.649 30.346 29.700 -0.006 0.000 1.054 373 E HN 0.240 nan 8.360 nan 0.000 0.461 374 Q N 0.161 119.955 119.800 -0.009 0.000 2.221 374 Q HA 0.481 4.820 4.340 -0.001 0.000 0.242 374 Q C -0.951 175.009 176.000 -0.066 0.000 0.940 374 Q CA -0.399 55.381 55.803 -0.038 0.000 0.896 374 Q CB 1.342 30.091 28.738 0.018 0.000 1.226 374 Q HN 0.132 nan 8.270 nan 0.000 0.463 375 A N 2.604 125.332 122.820 -0.154 0.000 2.301 375 A HA 0.512 4.832 4.320 -0.001 0.000 0.298 375 A C -0.998 176.517 177.584 -0.116 0.000 1.185 375 A CA -0.338 51.603 52.037 -0.161 0.000 0.830 375 A CB 0.327 19.135 19.000 -0.320 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.788 123.007 120.200 0.031 0.000 2.272 376 E HA 0.625 4.974 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 31.504 29.700 0.085 0.000 1.192 376 E HN 0.319 nan 8.360 nan 0.000 0.422 377 P HA 0.006 nan 4.420 nan 0.000 0.264 377 P C -0.438 176.815 177.300 -0.078 0.000 1.183 377 P CA 0.120 63.236 63.100 0.027 0.000 0.763 377 P CB 0.509 32.204 31.700 -0.009 0.000 0.807 378 D N 1.672 121.939 120.400 -0.221 0.000 2.460 378 D HA 0.308 4.948 4.640 -0.001 0.000 0.229 378 D C 0.442 176.655 176.300 -0.145 0.000 1.170 378 D CA 0.093 54.010 54.000 -0.138 0.000 0.827 378 D CB -0.495 40.234 40.800 -0.119 0.000 0.973 378 D HN 0.580 nan 8.370 nan 0.000 0.496 379 G N -0.701 108.011 108.800 -0.146 0.000 2.316 379 G HA2 0.095 4.055 3.960 -0.001 0.000 0.468 379 G HA3 0.095 4.055 3.960 -0.001 0.000 0.468 379 G C -0.300 174.525 174.900 -0.124 0.000 1.523 379 G CA -0.314 44.718 45.100 -0.114 0.000 0.972 379 G HN 0.102 nan 8.290 nan 0.000 0.667 380 T N -1.728 112.776 114.554 -0.082 0.000 3.444 380 T HA 0.605 4.955 4.350 -0.001 0.000 0.265 380 T C 0.489 175.152 174.700 -0.062 0.000 1.537 380 T CA 0.048 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 0.535 nan 8.240 nan 0.000 0.684 381 E N 0.631 120.787 120.200 -0.074 0.000 2.207 381 E HA 0.066 4.415 4.350 -0.001 0.000 0.197 381 E C 1.558 178.115 176.600 -0.072 0.000 0.914 381 E CA 0.462 56.824 56.400 -0.064 0.000 0.914 381 E CB 0.529 30.193 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 -0.079 0.000 2.599 382 V HA -0.022 4.098 4.120 -0.001 0.000 0.245 382 V C 2.348 178.395 176.094 -0.079 0.000 1.046 382 V CA 1.358 63.609 62.300 -0.080 0.000 1.065 382 V CB -0.225 31.578 31.823 -0.032 0.000 0.703 382 V HN 0.267 nan 8.190 nan 0.000 0.464 383 A N -0.302 122.474 122.820 -0.073 0.000 1.933 383 A HA -0.146 4.174 4.320 -0.001 0.000 0.218 383 A C 1.256 178.836 177.584 -0.006 0.000 1.175 383 A CA 1.272 53.282 52.037 -0.044 0.000 0.628 383 A CB -0.494 18.471 19.000 -0.058 0.000 0.814 383 A HN 0.507 nan 8.150 nan 0.000 0.444 387 A N -0.505 122.416 122.820 0.167 0.000 1.883 387 A HA -0.017 4.303 4.320 -0.001 0.000 0.217 387 A C 2.003 179.683 177.584 0.161 0.000 1.186 387 A CA 2.151 54.283 52.037 0.158 0.000 0.624 387 A CB -0.912 18.161 19.000 0.121 0.000 0.822 387 A HN 1.365 nan 8.150 nan 0.000 0.444 388 Y N -0.246 120.079 120.300 0.042 0.000 2.200 388 Y HA -0.086 4.464 4.550 -0.001 0.000 0.290 388 Y C 1.827 177.752 175.900 0.043 0.000 1.137 388 Y CA 1.445 59.566 58.100 0.034 0.000 1.163 388 Y CB -0.323 38.147 38.460 0.016 0.000 0.988 388 Y HN 0.161 nan 8.280 nan 0.000 0.518 389 L N 0.220 121.394 121.223 -0.081 0.000 2.191 389 L HA -0.166 4.174 4.340 -0.001 0.000 0.212 389 L C 2.027 178.819 176.870 -0.129 0.000 1.103 389 L CA 1.701 56.448 54.840 -0.155 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 -2.025 117.545 119.600 -0.050 0.000 2.441 390 M HA 0.253 4.732 4.480 -0.001 0.000 0.244 390 M C 1.048 177.315 176.300 -0.055 0.000 1.122 390 M CA 0.584 55.851 55.300 -0.056 0.000 1.041 390 M CB 0.337 32.932 32.600 -0.007 0.000 1.438 390 M HN 0.298 nan 8.290 nan 0.000 0.484 391 G N 1.971 110.733 108.800 -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 -0.277 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 -0.355 120.908 121.223 0.066 0.000 2.260 392 L HA 0.748 5.088 4.340 -0.001 0.000 0.265 392 L C 0.187 177.112 176.870 0.092 0.000 1.015 392 L CA -1.580 53.317 54.840 0.095 0.000 0.826 392 L CB 1.552 43.694 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 0.380 175.929 175.510 0.064 0.000 0.985 393 N CA 0.022 53.113 53.050 0.069 0.000 0.921 393 N CB 1.709 40.227 38.487 0.052 0.000 1.195 393 N HN 0.514 nan 8.380 nan 0.000 0.492 394 S N 2.618 118.354 115.700 0.060 0.000 2.378 394 S HA -0.260 4.209 4.470 -0.001 0.000 0.229 394 S C 1.743 176.367 174.600 0.040 0.000 1.052 394 S CA 2.216 60.444 58.200 0.046 0.000 1.084 394 S CB -0.150 63.068 63.200 0.029 0.000 0.950 394 S HN 0.780 nan 8.310 nan 0.000 0.440 395 A N 1.031 123.874 122.820 0.038 0.000 1.832 395 A HA -0.126 4.193 4.320 -0.001 0.000 0.214 395 A C 1.958 179.569 177.584 0.045 0.000 1.200 395 A CA 1.591 53.652 52.037 0.039 0.000 0.610 395 A CB -0.874 18.146 19.000 0.033 0.000 0.842 395 A HN 0.571 nan 8.150 nan 0.000 0.444 396 E N -0.797 119.427 120.200 0.039 0.000 2.147 396 E HA -0.259 4.090 4.350 -0.001 0.000 0.199 396 E C 1.935 178.554 176.600 0.031 0.000 1.005 396 E CA 1.487 57.907 56.400 0.033 0.000 0.810 396 E CB -0.325 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 0.508 121.754 121.223 0.039 0.000 2.005 397 L HA -0.167 4.173 4.340 -0.001 0.000 0.207 397 L C 2.062 178.953 176.870 0.035 0.000 1.072 397 L CA 1.493 56.355 54.840 0.036 0.000 0.744 397 L CB -0.343 41.752 42.059 0.061 0.000 0.895 397 L HN 0.059 nan 8.230 nan 0.000 0.433 398 L N -0.222 121.035 121.223 0.057 0.000 2.275 398 L HA -0.121 4.218 4.340 -0.001 0.000 0.215 398 L C 2.456 179.377 176.870 0.086 0.000 1.119 398 L CA 1.380 56.276 54.840 0.094 0.000 0.790 398 L CB -1.093 41.024 42.059 0.098 0.000 0.919 398 L HN 0.319 nan 8.230 nan 0.000 0.443 399 K N -0.615 119.835 120.400 0.084 0.000 1.980 399 K HA -0.052 4.267 4.320 -0.001 0.000 0.208 399 K C 2.102 178.750 176.600 0.080 0.000 1.043 399 K CA 1.184 57.552 56.287 0.136 0.000 0.938 399 K CB -0.227 32.345 32.500 0.119 0.000 0.724 399 K HN 0.238 nan 8.250 nan 0.000 0.438 400 A N 1.682 124.521 122.820 0.032 0.000 1.940 400 A HA -0.234 4.085 4.320 -0.001 0.000 0.221 400 A C 2.112 179.657 177.584 -0.066 0.000 1.190 400 A CA 1.658 53.684 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 -1.002 120.173 121.223 -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 1.928 56.679 54.840 -0.149 0.000 0.745 401 L CB -0.879 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 -2.209 116.922 119.300 -0.281 0.000 2.505 402 C HA -0.027 4.433 4.460 -0.001 0.000 0.279 402 C C 0.869 175.408 174.990 -0.752 0.000 1.316 402 C CA -0.129 58.562 59.018 -0.545 0.000 1.720 402 C CB -0.623 26.782 27.740 -0.559 0.000 2.050 402 C HN 0.407 nan 8.230 nan 0.000 0.493 403 Y N 0.882 121.143 120.300 -0.066 0.000 2.553 403 Y HA 0.307 4.857 4.550 -0.001 0.000 0.369 403 Y C -2.319 173.548 175.900 -0.054 0.000 0.964 403 Y CA -3.198 54.870 58.100 -0.053 0.000 1.156 403 Y CB -0.600 37.839 38.460 -0.036 0.000 1.218 403 Y HN 0.198 nan 8.280 nan 0.000 0.630 404 P HA -0.089 nan 4.420 nan 0.000 0.256 404 P C -0.119 177.190 177.300 0.015 0.000 1.173 404 P CA 0.323 63.413 63.100 -0.018 0.000 0.768 404 P CB 0.378 32.046 31.700 -0.053 0.000 0.758 405 R N 3.615 124.121 120.500 0.009 0.000 2.230 405 R HA 0.401 4.741 4.340 -0.001 0.000 0.337 405 R C -0.637 175.660 176.300 -0.005 0.000 1.063 405 R CA -0.686 55.420 56.100 0.009 0.000 0.935 405 R CB 0.091 30.397 30.300 0.010 0.000 1.121 405 R HN 0.101 nan 8.270 nan 0.000 0.486 406 V N 2.324 122.237 119.914 -0.003 0.000 3.596 406 V HA 0.501 4.621 4.120 -0.001 0.000 0.288 406 V C 1.065 177.157 176.094 -0.003 0.000 1.021 406 V CA -0.168 62.129 62.300 -0.005 0.000 1.020 406 V CB 1.559 33.381 31.823 -0.003 0.000 1.243 406 V HN 0.948 nan 8.190 nan 0.000 0.433 407 G N 0.070 108.869 108.800 -0.002 0.000 4.566 407 G HA2 0.445 4.405 3.960 -0.001 0.000 0.276 407 G HA3 0.445 4.405 3.960 -0.001 0.000 0.276 407 G C -0.970 173.929 174.900 -0.002 0.000 1.248 407 G CA -0.114 44.985 45.100 -0.002 0.000 0.858 407 G HN 0.401 nan 8.290 nan 0.000 0.549 408 V N 1.667 121.580 119.914 -0.002 0.000 2.389 408 V HA 0.688 4.807 4.120 -0.001 0.000 0.264 408 V C 1.220 177.312 176.094 -0.004 0.000 1.049 408 V CA 1.577 63.876 62.300 -0.003 0.000 0.932 408 V CB 0.181 32.003 31.823 -0.001 0.000 1.011 408 V HN 1.198 nan 8.190 nan 0.000 0.475 409 G N 5.437 114.233 108.800 -0.006 0.000 2.846 409 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.225 409 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.225 409 G C 0.276 175.172 174.900 -0.006 0.000 1.285 409 G CA 0.143 45.239 45.100 -0.006 0.000 1.055 409 G HN 0.819 nan 8.290 nan 0.000 0.579 410 N N 2.014 120.710 118.700 -0.005 0.000 2.170 410 N HA 0.196 4.936 4.740 -0.001 0.000 0.222 410 N C 0.578 176.086 175.510 -0.004 0.000 1.218 410 N CA 1.015 54.062 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 0.967 nan 8.380 nan 0.000 0.520 411 E N 0.342 120.540 120.200 -0.004 0.000 2.573 411 E HA 0.737 5.086 4.350 -0.001 0.000 0.218 411 E C -1.121 175.477 176.600 -0.003 0.000 0.777 411 E CA -1.310 55.088 56.400 -0.004 0.000 0.970 411 E CB 1.173 30.870 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 -0.004 0.000 2.466 412 A HA 0.458 4.778 4.320 -0.001 0.000 0.291 412 A C -0.892 176.690 177.584 -0.003 0.000 1.234 412 A CA -0.700 51.335 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 3.058 122.971 119.914 -0.001 0.000 2.385 413 V HA 0.287 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 -0.097 62.204 62.300 0.001 0.000 0.906 413 V CB 0.716 32.540 31.823 0.001 0.000 0.995 413 V HN 0.880 nan 8.190 nan 0.000 0.467 417 E N 0.094 120.186 120.200 -0.179 0.000 2.281 417 E HA 0.667 5.017 4.350 -0.001 0.000 0.262 417 E C -0.195 176.286 176.600 -0.197 0.000 0.933 417 E CA -0.733 55.558 56.400 -0.183 0.000 0.809 417 E CB 2.172 31.738 29.700 -0.224 0.000 1.242 417 E HN 0.406 nan 8.360 nan 0.000 0.418 418 T N 0.239 114.695 114.554 -0.162 0.000 2.881 418 T HA 0.095 4.444 4.350 -0.001 0.000 0.278 418 T C 1.593 176.165 174.700 -0.213 0.000 0.982 418 T CA -0.704 61.308 62.100 -0.147 0.000 0.989 418 T CB 1.249 70.062 68.868 -0.092 0.000 1.058 418 T HN 0.196 nan 8.240 nan 0.000 0.529 419 V N 1.213 121.015 119.914 -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 2.047 64.190 62.300 -0.261 0.000 1.018 419 V CB -1.026 30.711 31.823 -0.143 0.000 0.641 419 V HN 0.939 nan 8.190 nan 0.000 0.445 420 S N -0.466 115.163 115.700 -0.118 0.000 2.419 420 S HA -0.227 4.243 4.470 -0.001 0.000 0.235 420 S C 1.855 176.423 174.600 -0.053 0.000 1.019 420 S CA 1.612 59.794 58.200 -0.031 0.000 0.982 420 S CB -0.348 62.855 63.200 0.005 0.000 0.789 420 S HN 0.730 nan 8.310 nan 0.000 0.490 421 E N 0.427 120.558 120.200 -0.115 0.000 2.158 421 E HA -0.046 4.303 4.350 -0.001 0.000 0.191 421 E C 2.018 178.522 176.600 -0.160 0.000 0.982 421 E CA 0.857 57.189 56.400 -0.113 0.000 0.823 421 E CB -0.126 29.501 29.700 -0.122 0.000 0.766 421 E HN 0.353 nan 8.360 nan 0.000 0.468 422 V N 1.363 121.099 119.914 -0.297 0.000 2.255 422 V HA -0.211 3.909 4.120 -0.001 0.000 0.243 422 V C 2.120 178.090 176.094 -0.206 0.000 1.038 422 V CA 1.662 63.705 62.300 -0.428 0.000 1.008 422 V CB -0.754 30.505 31.823 -0.939 0.000 0.645 422 V HN 0.252 nan 8.190 nan 0.000 0.449 423 H N 0.960 119.959 119.070 -0.118 0.000 2.394 423 H HA -0.172 4.383 4.556 -0.001 0.000 0.297 423 H C 2.268 177.647 175.328 0.084 0.000 1.113 423 H CA 2.008 58.091 56.048 0.058 0.000 1.277 423 H CB -0.646 29.178 29.762 0.104 0.000 1.370 423 H HN 0.578 nan 8.280 nan 0.000 0.506 424 N N -0.196 118.593 118.700 0.149 0.000 2.216 424 N HA -0.114 4.625 4.740 -0.001 0.000 0.183 424 N C 2.124 177.683 175.510 0.082 0.000 1.017 424 N CA 1.114 54.227 53.050 0.105 0.000 0.861 424 N CB 0.063 38.586 38.487 0.059 0.000 0.986 424 N HN 0.307 nan 8.380 nan 0.000 0.428 425 S N 0.608 116.327 115.700 0.031 0.000 2.383 425 S HA -0.061 4.409 4.470 -0.001 0.000 0.227 425 S C 2.116 176.774 174.600 0.096 0.000 1.026 425 S CA 0.632 58.848 58.200 0.027 0.000 0.981 425 S CB -0.699 62.479 63.200 -0.037 0.000 0.818 425 S HN 0.015 nan 8.310 nan 0.000 0.472 426 V N 2.729 122.721 119.914 0.129 0.000 2.233 426 V HA -0.123 3.996 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 2.077 64.525 62.300 0.246 0.000 1.010 426 V CB -1.783 30.203 31.823 0.272 0.000 0.637 426 V HN 0.653 nan 8.190 nan 0.000 0.444 427 G N -0.601 108.398 108.800 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 1.715 176.710 174.900 0.158 0.000 1.136 427 G CA 1.215 46.464 45.100 0.248 0.000 0.759 427 G HN 0.659 nan 8.290 nan 0.000 0.562 428 A N 0.299 123.207 122.820 0.147 0.000 1.930 428 A HA 0.168 4.487 4.320 -0.001 0.000 0.217 428 A C 2.420 180.104 177.584 0.168 0.000 1.175 428 A CA 1.246 53.353 52.037 0.118 0.000 0.627 428 A CB -0.277 18.772 19.000 0.082 0.000 0.815 428 A HN 0.365 nan 8.150 nan 0.000 0.443 429 L N -0.434 120.931 121.223 0.236 0.000 2.044 429 L HA 0.047 4.387 4.340 -0.001 0.000 0.205 429 L C 2.048 179.107 176.870 0.316 0.000 1.075 429 L CA 0.382 55.412 54.840 0.316 0.000 0.747 429 L CB -0.935 41.367 42.059 0.405 0.000 0.903 429 L HN 0.383 nan 8.230 nan 0.000 0.435 433 V N 0.181 120.267 119.914 0.288 0.000 2.287 433 V HA -0.291 3.829 4.120 -0.001 0.000 0.248 433 V C 2.220 178.350 176.094 0.061 0.000 1.053 433 V CA 2.668 65.077 62.300 0.183 0.000 1.027 433 V CB -1.094 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 1.242 121.542 120.300 0.001 0.000 2.081 434 Y HA -0.206 4.344 4.550 -0.000 0.000 0.280 434 Y C 1.831 177.702 175.900 -0.047 0.000 1.163 434 Y CA 1.879 59.968 58.100 -0.019 0.000 1.135 434 Y CB -0.280 38.182 38.460 0.004 0.000 0.970 434 Y HN 0.427 nan 8.280 nan 0.000 0.498 438 F N 2.294 121.995 119.950 -0.416 0.000 2.161 438 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 438 F C 1.361 176.987 175.800 -0.291 0.000 1.089 438 F CA 2.049 59.772 58.000 -0.461 0.000 1.282 438 F CB -0.055 38.677 39.000 -0.448 0.000 1.010 438 F HN 0.251 nan 8.300 nan 0.000 0.485 439 L N -0.776 120.429 121.223 -0.030 0.000 2.017 439 L HA -0.194 4.146 4.340 -0.001 0.000 0.208 439 L C 2.077 178.879 176.870 -0.113 0.000 1.073 439 L CA 1.762 56.552 54.840 -0.083 0.000 0.745 439 L CB -1.944 40.121 42.059 0.009 0.000 0.894 439 L HN 0.502 nan 8.230 nan 0.000 0.432 440 W N 0.194 121.354 121.300 -0.235 0.000 2.333 440 W HA -0.267 4.393 4.660 -0.001 0.000 0.316 440 W C 2.676 179.078 176.519 -0.196 0.000 1.215 440 W CA 1.794 59.023 57.345 -0.193 0.000 1.278 440 W CB -0.416 28.938 29.460 -0.177 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.231 119.161 119.600 -0.346 0.000 2.089 441 M HA -0.301 4.179 4.480 -0.001 0.000 0.257 441 M C 1.873 177.911 176.300 -0.437 0.000 1.071 441 M CA 2.332 57.330 55.300 -0.504 0.000 1.096 441 M CB -0.864 31.375 32.600 -0.602 0.000 1.330 441 M HN -0.066 nan 8.290 nan 0.000 0.403 442 V N 0.466 120.075 119.914 -0.509 0.000 2.255 442 V HA -0.311 3.809 4.120 -0.001 0.000 0.247 442 V C 2.125 178.020 176.094 -0.332 0.000 1.051 442 V CA 2.049 64.093 62.300 -0.427 0.000 1.018 442 V CB -0.554 31.000 31.823 -0.447 0.000 0.641 442 V HN 0.427 nan 8.190 nan 0.000 0.445 443 I N -0.689 119.696 120.570 -0.307 0.000 2.118 443 I HA -0.263 3.907 4.170 -0.001 0.000 0.241 443 I C 2.787 178.693 176.117 -0.353 0.000 1.070 443 I CA 1.581 62.723 61.300 -0.263 0.000 1.327 443 I CB -0.432 37.457 38.000 -0.186 0.000 1.034 443 I HN 0.187 nan 8.210 nan 0.000 0.405 444 R N 0.386 120.565 120.500 -0.535 0.000 2.105 444 R HA -0.133 4.206 4.340 -0.001 0.000 0.239 444 R C 2.200 178.124 176.300 -0.628 0.000 1.135 444 R CA 1.475 57.160 56.100 -0.691 0.000 0.967 444 R CB -0.714 28.914 30.300 -1.121 0.000 0.861 444 R HN 0.445 nan 8.270 nan 0.000 0.442 445 I N 1.220 121.498 120.570 -0.487 0.000 2.113 445 I HA -0.317 3.853 4.170 -0.001 0.000 0.238 445 I C 1.956 177.903 176.117 -0.284 0.000 1.070 445 I CA 1.224 62.314 61.300 -0.350 0.000 1.332 445 I CB -0.548 37.317 38.000 -0.225 0.000 1.044 445 I HN 0.130 nan 8.210 nan 0.000 0.402 446 N N 1.101 119.653 118.700 -0.246 0.000 2.133 446 N HA -0.277 4.463 4.740 -0.001 0.000 0.193 446 N C 1.839 177.227 175.510 -0.204 0.000 1.012 446 N CA 1.868 54.798 53.050 -0.199 0.000 0.871 446 N CB -0.464 37.913 38.487 -0.182 0.000 1.011 446 N HN 0.600 nan 8.380 nan 0.000 0.435 447 Q N 0.082 119.735 119.800 -0.245 0.000 2.124 447 Q HA -0.168 4.172 4.340 -0.001 0.000 0.202 447 Q C 1.662 177.534 176.000 -0.214 0.000 0.977 447 Q CA 1.329 56.996 55.803 -0.225 0.000 0.850 447 Q CB -0.292 28.324 28.738 -0.204 0.000 0.901 447 Q HN 0.201 nan 8.270 nan 0.000 0.429 448 Q N 0.353 120.004 119.800 -0.249 0.000 2.137 448 Q HA 0.037 4.376 4.340 -0.001 0.000 0.198 448 Q C 1.430 177.334 176.000 -0.161 0.000 0.960 448 Q CA 0.712 56.390 55.803 -0.209 0.000 0.847 448 Q CB 0.107 28.703 28.738 -0.237 0.000 0.915 448 Q HN 0.298 nan 8.270 nan 0.000 0.448 449 L N 1.196 122.321 121.223 -0.162 0.000 2.749 449 L HA 0.020 4.360 4.340 -0.001 0.000 0.245 449 L C -0.308 176.480 176.870 -0.136 0.000 1.156 449 L CA 0.845 55.605 54.840 -0.133 0.000 0.890 449 L CB -0.772 41.211 42.059 -0.126 0.000 1.036 449 L HN 0.056 nan 8.230 nan 0.000 0.441 450 D N -0.598 119.716 120.400 -0.142 0.000 2.280 450 D HA 0.384 5.024 4.640 -0.001 0.000 0.236 450 D C 0.187 176.414 176.300 -0.121 0.000 1.082 450 D CA -0.022 53.892 54.000 -0.142 0.000 0.834 450 D CB 1.144 41.859 40.800 -0.142 0.000 1.100 450 D HN 0.157 nan 8.370 nan 0.000 0.486 451 T N -0.040 114.443 114.554 -0.119 0.000 2.940 451 T HA 0.442 4.792 4.350 -0.001 0.000 0.288 451 T C 1.033 175.678 174.700 -0.092 0.000 1.045 451 T CA -0.764 61.280 62.100 -0.094 0.000 1.018 451 T CB 1.952 70.773 68.868 -0.078 0.000 1.151 451 T HN 0.153 nan 8.240 nan 0.000 0.529 452 K N -0.092 120.265 120.400 -0.071 0.000 2.211 452 K HA 0.065 4.384 4.320 -0.001 0.000 0.201 452 K C 0.752 177.318 176.600 -0.058 0.000 1.052 452 K CA 0.308 56.557 56.287 -0.064 0.000 0.973 452 K CB 0.021 32.491 32.500 -0.050 0.000 0.766 452 K HN 0.656 nan 8.250 nan 0.000 0.466 453 Q N 2.181 121.951 119.800 -0.050 0.000 2.352 453 Q HA -0.024 4.316 4.340 -0.001 0.000 0.326 453 Q C -2.332 173.640 176.000 -0.048 0.000 1.135 453 Q CA -1.112 54.667 55.803 -0.040 0.000 1.000 453 Q CB -0.639 28.083 28.738 -0.028 0.000 1.237 453 Q HN 0.019 nan 8.270 nan 0.000 0.409 454 P HA 0.089 nan 4.420 nan 0.000 0.272 454 P C -0.960 176.313 177.300 -0.045 0.000 1.223 454 P CA -0.011 63.062 63.100 -0.045 0.000 0.784 454 P CB 0.619 32.296 31.700 -0.039 0.000 0.923 455 R N 1.303 121.773 120.500 -0.050 0.000 2.561 455 R HA 0.376 4.716 4.340 -0.001 0.000 0.297 455 R C 0.656 176.909 176.300 -0.077 0.000 0.969 455 R CA -0.610 55.475 56.100 -0.025 0.000 0.879 455 R CB 1.941 32.250 30.300 0.015 0.000 1.178 455 R HN 0.400 nan 8.270 nan 0.000 0.445 456 Q N 1.038 120.694 119.800 -0.241 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 -0.552 0.000 0.880 456 Q CA 0.736 56.214 55.803 -0.541 0.000 0.954 456 Q CB 0.888 29.048 28.738 -0.964 0.000 1.105 456 Q HN 0.552 nan 8.270 nan 0.000 0.558 457 Y N -1.011 119.403 120.300 0.190 0.000 2.670 457 Y HA 0.507 5.057 4.550 -0.001 0.000 0.334 457 Y C -0.664 175.373 175.900 0.228 0.000 1.185 457 Y CA -2.000 56.191 58.100 0.152 0.000 1.053 457 Y CB 0.772 39.251 38.460 0.031 0.000 1.298 457 Y HN -0.038 nan 8.280 nan 0.000 0.459 458 F N -0.823 119.241 119.950 0.191 0.000 2.664 458 F HA 0.911 5.437 4.527 -0.001 0.000 0.317 458 F C -1.900 173.920 175.800 0.033 0.000 1.108 458 F CA -1.850 56.118 58.000 -0.054 0.000 0.957 458 F CB 1.644 40.255 39.000 -0.649 0.000 1.365 458 F HN 0.354 nan 8.300 nan 0.000 0.475 459 I N 1.823 122.493 120.570 0.167 0.000 2.439 459 I HA 0.494 4.664 4.170 -0.001 0.000 0.283 459 I C 0.009 176.188 176.117 0.103 0.000 1.023 459 I CA -0.734 60.584 61.300 0.031 0.000 1.100 459 I CB 1.681 39.642 38.000 -0.066 0.000 1.238 459 I HN 0.983 nan 8.210 nan 0.000 0.445 460 G N 5.794 114.705 108.800 0.185 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 -0.658 174.326 174.900 0.141 0.000 1.172 460 G CA -0.226 44.929 45.100 0.091 0.000 0.854 460 G HN 0.327 nan 8.290 nan 0.000 0.485 461 V N 3.947 123.877 119.914 0.028 0.000 2.326 461 V HA 0.319 4.439 4.120 -0.001 0.000 0.281 461 V C -0.168 176.106 176.094 0.300 0.000 1.015 461 V CA -0.689 61.712 62.300 0.168 0.000 0.823 461 V CB 1.036 32.945 31.823 0.143 0.000 1.009 461 V HN 0.705 nan 8.190 nan 0.000 0.436 462 L N 4.517 125.988 121.223 0.414 0.000 2.282 462 L HA 0.764 5.104 4.340 -0.001 0.000 0.288 462 L C -0.630 176.399 176.870 0.265 0.000 1.033 462 L CA 0.345 55.460 54.840 0.457 0.000 0.807 462 L CB 1.456 43.723 42.059 0.347 0.000 1.209 462 L HN 0.645 nan 8.230 nan 0.000 0.423 463 D N 6.362 126.914 120.400 0.252 0.000 2.549 463 D HA 0.564 5.204 4.640 -0.001 0.000 0.251 463 D C -1.001 175.394 176.300 0.158 0.000 1.153 463 D CA -0.099 54.001 54.000 0.168 0.000 0.861 463 D CB 1.062 41.943 40.800 0.134 0.000 1.207 463 D HN 0.616 nan 8.370 nan 0.000 0.543 464 I N 0.936 121.576 120.570 0.117 0.000 3.181 464 I HA 0.517 4.687 4.170 -0.001 0.000 0.311 464 I C -0.220 175.944 176.117 0.078 0.000 1.287 464 I CA -1.330 60.032 61.300 0.103 0.000 0.958 464 I CB 1.907 39.958 38.000 0.085 0.000 1.294 464 I HN 0.428 nan 8.210 nan 0.000 0.467 465 A N 1.029 123.894 122.820 0.075 0.000 2.304 465 A HA 0.783 5.103 4.320 -0.001 0.000 0.271 465 A C 0.082 177.713 177.584 0.078 0.000 1.091 465 A CA -0.009 52.070 52.037 0.069 0.000 0.812 465 A CB 0.581 19.621 19.000 0.067 0.000 1.056 465 A HN 0.864 nan 8.150 nan 0.000 0.489 466 G N -1.005 107.841 108.800 0.076 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 -0.529 174.435 174.900 0.108 0.000 1.161 466 G CA -0.716 44.449 45.100 0.107 0.000 0.935 466 G HN 0.624 nan 8.290 nan 0.000 0.488 467 F N 0.967 120.897 119.950 -0.033 0.000 2.473 467 F HA 0.045 4.571 4.527 -0.001 0.000 0.405 467 F C 0.791 176.481 175.800 -0.184 0.000 0.988 467 F CA 0.740 58.668 58.000 -0.121 0.000 1.096 467 F CB 0.189 39.101 39.000 -0.146 0.000 0.944 467 F HN 0.314 nan 8.300 nan 0.000 0.530 468 E N 6.320 126.344 120.200 -0.294 0.000 2.222 468 E HA 0.468 4.817 4.350 -0.001 0.000 0.267 468 E C -0.890 175.184 176.600 -0.877 0.000 0.884 468 E CA -0.941 55.156 56.400 -0.505 0.000 0.764 468 E CB 2.085 31.466 29.700 -0.532 0.000 1.169 468 E HN 0.466 nan 8.360 nan 0.000 0.413 469 I N 3.405 123.507 120.570 -0.780 0.000 2.378 469 I HA 0.382 4.552 4.170 -0.001 0.000 0.291 469 I C -0.916 174.779 176.117 -0.704 0.000 0.992 469 I CA -0.527 60.388 61.300 -0.643 0.000 1.154 469 I CB 0.679 38.548 38.000 -0.218 0.000 1.315 469 I HN 0.342 nan 8.210 nan 0.000 0.448 470 F N 2.746 122.633 119.950 -0.104 0.000 2.593 470 F HA 0.328 4.855 4.527 -0.001 0.000 0.320 470 F C 1.341 177.120 175.800 -0.035 0.000 1.060 470 F CA -1.021 56.953 58.000 -0.043 0.000 0.940 470 F CB 0.827 39.831 39.000 0.006 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 0.238 0.000 2.218 471 D HA -0.194 4.446 4.640 -0.001 0.000 0.204 471 D C 0.141 176.559 176.300 0.196 0.000 0.976 471 D CA 1.412 55.501 54.000 0.149 0.000 0.853 471 D CB -0.013 40.867 40.800 0.132 0.000 0.939 471 D HN 0.219 nan 8.370 nan 0.000 0.481 472 F N 2.105 122.117 119.950 0.102 0.000 2.382 472 F HA 0.309 4.835 4.527 -0.001 0.000 0.361 472 F C -0.734 175.146 175.800 0.134 0.000 1.109 472 F CA -1.070 56.980 58.000 0.084 0.000 1.031 472 F CB 0.723 39.753 39.000 0.050 0.000 1.234 472 F HN -0.327 nan 8.300 nan 0.000 0.445 473 N N 4.752 123.227 118.700 -0.375 0.000 2.446 473 N HA 0.228 4.968 4.740 -0.001 0.000 0.265 473 N C -0.813 174.594 175.510 -0.171 0.000 0.975 473 N CA -0.250 52.676 53.050 -0.208 0.000 0.928 473 N CB 2.043 40.304 38.487 -0.376 0.000 1.160 473 N HN 0.469 nan 8.380 nan 0.000 0.495 474 S N 0.687 116.402 115.700 0.026 0.000 2.776 474 S HA 0.352 4.821 4.470 -0.001 0.000 0.306 474 S C 1.077 175.799 174.600 0.204 0.000 1.114 474 S CA -0.592 57.779 58.200 0.285 0.000 0.973 474 S CB 0.533 63.926 63.200 0.322 0.000 1.250 474 S HN 0.449 nan 8.310 nan 0.000 0.549 475 F N 2.306 121.941 119.950 -0.524 0.000 2.085 475 F HA -0.213 4.314 4.527 -0.001 0.000 0.299 475 F C 1.858 177.368 175.800 -0.483 0.000 1.096 475 F CA 2.777 60.042 58.000 -1.225 0.000 1.227 475 F CB -0.793 37.328 39.000 -1.465 0.000 0.983 475 F HN 0.678 nan 8.300 nan 0.000 0.482 476 E N 0.023 120.004 120.200 -0.365 0.000 2.118 476 E HA -0.254 4.096 4.350 -0.001 0.000 0.195 476 E C 2.012 178.472 176.600 -0.234 0.000 0.992 476 E CA 1.642 57.813 56.400 -0.381 0.000 0.804 476 E CB -0.515 29.096 29.700 -0.149 0.000 0.741 476 E HN 0.514 nan 8.360 nan 0.000 0.458 477 Q N 0.041 119.810 119.800 -0.051 0.000 2.079 477 Q HA -0.068 4.272 4.340 -0.001 0.000 0.200 477 Q C 2.075 178.120 176.000 0.076 0.000 0.974 477 Q CA 0.825 56.659 55.803 0.051 0.000 0.840 477 Q CB -0.295 28.531 28.738 0.147 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.005 121.288 121.223 0.100 0.000 1.989 478 L HA -0.229 4.111 4.340 -0.001 0.000 0.211 478 L C 1.924 178.850 176.870 0.092 0.000 1.071 478 L CA 1.891 56.731 54.840 -0.001 0.000 0.749 478 L CB -0.874 41.050 42.059 -0.225 0.000 0.890 478 L HN 0.342 nan 8.230 nan 0.000 0.431 479 C N -0.567 118.673 119.300 -0.100 0.000 2.398 479 C HA -0.170 4.289 4.460 -0.001 0.000 0.276 479 C C 2.679 177.769 174.990 0.167 0.000 1.222 479 C CA 0.981 59.973 59.018 -0.043 0.000 1.746 479 C CB -1.217 25.965 27.740 -0.931 0.000 2.039 479 C HN 0.642 nan 8.230 nan 0.000 0.470 480 I N 1.424 121.997 120.570 0.005 0.000 2.233 480 I HA -0.150 4.020 4.170 -0.001 0.000 0.243 480 I C 2.289 178.469 176.117 0.106 0.000 1.093 480 I CA 1.545 62.882 61.300 0.063 0.000 1.380 480 I CB -0.460 37.538 38.000 -0.003 0.000 1.067 480 I HN 0.399 nan 8.210 nan 0.000 0.413 481 N N -0.152 118.555 118.700 0.012 0.000 2.104 481 N HA -0.268 4.472 4.740 -0.001 0.000 0.190 481 N C 1.943 177.649 175.510 0.326 0.000 1.024 481 N CA 1.344 54.349 53.050 -0.074 0.000 0.853 481 N CB -0.329 37.873 38.487 -0.474 0.000 1.008 481 N HN 0.239 nan 8.380 nan 0.000 0.424 482 F N 2.501 122.599 119.950 0.247 0.000 2.161 482 F HA -0.151 4.375 4.527 -0.000 0.000 0.300 482 F C 2.253 178.217 175.800 0.273 0.000 1.089 482 F CA 1.242 59.429 58.000 0.313 0.000 1.282 482 F CB -0.831 38.379 39.000 0.351 0.000 1.010 482 F HN -0.082 nan 8.300 nan 0.000 0.485 483 T N 0.642 115.281 114.554 0.141 0.000 2.708 483 T HA -0.186 4.164 4.350 -0.001 0.000 0.266 483 T C 1.864 176.565 174.700 0.002 0.000 1.037 483 T CA 1.544 63.606 62.100 -0.063 0.000 1.146 483 T CB -0.389 68.524 68.868 0.075 0.000 0.865 483 T HN 0.291 nan 8.240 nan 0.000 0.435 484 N N 0.840 119.639 118.700 0.165 0.000 2.142 484 N HA -0.016 4.723 4.740 -0.001 0.000 0.186 484 N C 1.151 176.893 175.510 0.386 0.000 1.023 484 N CA 0.624 53.836 53.050 0.270 0.000 0.852 484 N CB -0.177 38.526 38.487 0.360 0.000 0.998 484 N HN 0.565 nan 8.380 nan 0.000 0.424 488 Q N 0.832 120.748 119.800 0.194 0.000 2.030 488 Q HA -0.229 4.111 4.340 -0.001 0.000 0.204 488 Q C 2.051 178.152 176.000 0.169 0.000 0.986 488 Q CA 2.663 58.486 55.803 0.034 0.000 0.843 488 Q CB -0.227 28.288 28.738 -0.370 0.000 0.904 488 Q HN 0.498 nan 8.270 nan 0.000 0.420 489 Q N -1.368 118.545 119.800 0.189 0.000 2.234 489 Q HA -0.180 4.160 4.340 -0.001 0.000 0.206 489 Q C 1.754 177.931 176.000 0.296 0.000 0.980 489 Q CA 1.356 57.288 55.803 0.214 0.000 0.869 489 Q CB -0.268 28.581 28.738 0.185 0.000 0.912 489 Q HN 0.477 nan 8.270 nan 0.000 0.436 490 F N 0.203 120.264 119.950 0.184 0.000 2.186 490 F HA -0.156 4.371 4.527 -0.001 0.000 0.299 490 F C 1.568 177.588 175.800 0.365 0.000 1.090 490 F CA 1.096 59.225 58.000 0.216 0.000 1.307 490 F CB -0.470 38.653 39.000 0.203 0.000 1.019 490 F HN 0.192 nan 8.300 nan 0.000 0.489 491 F N 1.323 121.319 119.950 0.077 0.000 2.074 491 F HA -0.090 4.437 4.527 -0.001 0.000 0.290 491 F C 2.127 177.922 175.800 -0.009 0.000 1.118 491 F CA 1.850 59.781 58.000 -0.115 0.000 1.199 491 F CB -1.071 37.700 39.000 -0.382 0.000 1.012 491 F HN -0.141 nan 8.300 nan 0.000 0.472 492 N N -0.357 118.414 118.700 0.118 0.000 2.242 492 N HA -0.295 4.444 4.740 -0.001 0.000 0.191 492 N C 1.641 177.261 175.510 0.183 0.000 1.005 492 N CA 1.848 54.956 53.050 0.096 0.000 0.877 492 N CB -0.663 37.963 38.487 0.231 0.000 0.983 492 N HN 0.629 nan 8.380 nan 0.000 0.439 493 H N -1.259 117.846 119.070 0.058 0.000 2.329 493 H HA -0.005 4.551 4.556 -0.001 0.000 0.306 493 H C 2.108 177.503 175.328 0.110 0.000 1.062 493 H CA 1.537 57.636 56.048 0.085 0.000 1.364 493 H CB -0.224 29.568 29.762 0.050 0.000 1.409 493 H HN 0.331 nan 8.280 nan 0.000 0.519 494 H N -0.335 118.753 119.070 0.030 0.000 2.426 494 H HA -0.146 4.409 4.556 -0.001 0.000 0.298 494 H C 2.199 177.427 175.328 -0.166 0.000 1.107 494 H CA 2.060 58.050 56.048 -0.095 0.000 1.298 494 H CB -0.156 29.467 29.762 -0.231 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.173 118.267 119.600 -0.267 0.000 2.288 495 M HA -0.058 4.421 4.480 -0.001 0.000 0.266 495 M C 1.695 178.014 176.300 0.032 0.000 1.072 495 M CA 1.044 56.156 55.300 -0.313 0.000 1.132 495 M CB -0.087 32.180 32.600 -0.555 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.167 120.158 119.950 0.067 0.000 2.163 496 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 496 F C 1.739 177.512 175.800 -0.045 0.000 1.094 496 F CA 1.147 59.284 58.000 0.227 0.000 1.290 496 F CB -0.380 38.588 39.000 -0.054 0.000 1.017 496 F HN -0.192 nan 8.300 nan 0.000 0.483 497 V N 0.725 120.575 119.914 -0.106 0.000 2.261 497 V HA -0.295 3.825 4.120 -0.001 0.000 0.246 497 V C 2.417 178.313 176.094 -0.330 0.000 1.047 497 V CA 1.961 64.081 62.300 -0.300 0.000 1.015 497 V CB -0.862 30.857 31.823 -0.173 0.000 0.642 497 V HN 0.406 nan 8.190 nan 0.000 0.446 498 L N -0.270 120.750 121.223 -0.338 0.000 1.989 498 L HA -0.177 4.163 4.340 -0.001 0.000 0.211 498 L C 2.634 179.335 176.870 -0.282 0.000 1.071 498 L CA 1.970 56.601 54.840 -0.349 0.000 0.749 498 L CB -0.689 41.099 42.059 -0.452 0.000 0.890 498 L HN 0.274 nan 8.230 nan 0.000 0.431 499 E N -0.399 119.669 120.200 -0.221 0.000 2.035 499 E HA -0.354 3.995 4.350 -0.001 0.000 0.204 499 E C 2.078 178.459 176.600 -0.364 0.000 1.025 499 E CA 1.837 58.072 56.400 -0.274 0.000 0.835 499 E CB -0.518 29.157 29.700 -0.042 0.000 0.764 499 E HN 0.642 nan 8.360 nan 0.000 0.457 500 Q N 0.459 120.211 119.800 -0.080 0.000 2.376 500 Q HA -0.220 4.120 4.340 -0.001 0.000 0.211 500 Q C 1.809 177.694 176.000 -0.192 0.000 0.986 500 Q CA 1.600 57.343 55.803 -0.101 0.000 0.886 500 Q CB -0.032 28.384 28.738 -0.537 0.000 0.927 500 Q HN 0.299 nan 8.270 nan 0.000 0.457 501 E N -0.220 119.830 120.200 -0.249 0.000 2.076 501 E HA -0.182 4.168 4.350 -0.001 0.000 0.190 501 E C 1.699 178.167 176.600 -0.220 0.000 0.979 501 E CA 0.895 57.172 56.400 -0.206 0.000 0.807 501 E CB 0.168 29.748 29.700 -0.200 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N -0.167 119.823 120.200 -0.350 0.000 2.012 502 E HA -0.148 4.202 4.350 -0.001 0.000 0.197 502 E C 0.067 176.504 176.600 -0.270 0.000 1.007 502 E CA 1.001 57.143 56.400 -0.430 0.000 0.816 502 E CB -0.264 29.013 29.700 -0.705 0.000 0.762 502 E HN 0.106 nan 8.360 nan 0.000 0.451 507 G N 1.228 110.028 108.800 0.001 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 0.187 175.085 174.900 -0.004 0.000 1.012 507 G CA 0.064 45.165 45.100 0.002 0.000 0.677 507 G HN 0.146 nan 8.290 nan 0.000 0.506 508 I N 0.261 120.829 120.570 -0.003 0.000 2.945 508 I HA 0.340 4.509 4.170 -0.001 0.000 0.292 508 I C 0.788 176.918 176.117 0.021 0.000 1.093 508 I CA -0.143 61.134 61.300 -0.037 0.000 1.336 508 I CB 0.959 38.868 38.000 -0.152 0.000 1.435 508 I HN 0.052 nan 8.210 nan 0.000 0.593 509 E N 4.414 124.635 120.200 0.035 0.000 2.267 509 E HA 0.182 4.532 4.350 -0.001 0.000 0.241 509 E C -1.591 175.141 176.600 0.220 0.000 0.950 509 E CA -0.316 56.139 56.400 0.092 0.000 0.776 509 E CB 0.764 30.504 29.700 0.066 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.417 124.659 121.300 -0.097 0.000 2.619 510 W HA 0.306 4.966 4.660 -0.001 0.000 0.327 510 W C -0.849 175.776 176.519 0.176 0.000 1.027 510 W CA -0.644 56.665 57.345 -0.060 0.000 1.233 510 W CB 1.474 30.674 29.460 -0.434 0.000 1.370 510 W HN 0.343 nan 8.180 nan 0.000 0.453 511 E N 4.601 124.587 120.200 -0.356 0.000 2.179 511 E HA 0.501 4.850 4.350 -0.001 0.000 0.275 511 E C -1.069 175.363 176.600 -0.279 0.000 0.945 511 E CA -0.597 55.642 56.400 -0.268 0.000 0.792 511 E CB 1.975 31.539 29.700 -0.226 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.141 119.614 119.950 -0.326 0.000 2.688 512 F HA 0.508 5.034 4.527 -0.001 0.000 0.308 512 F C -1.338 174.439 175.800 -0.038 0.000 1.117 512 F CA -1.230 56.622 58.000 -0.247 0.000 0.976 512 F CB 0.478 39.336 39.000 -0.236 0.000 1.291 512 F HN 0.313 nan 8.300 nan 0.000 0.439 513 I N 2.501 123.048 120.570 -0.039 0.000 2.638 513 I HA 0.094 4.263 4.170 -0.001 0.000 0.286 513 I C 0.498 176.343 176.117 -0.455 0.000 1.088 513 I CA -0.051 61.151 61.300 -0.163 0.000 1.397 513 I CB 0.434 38.352 38.000 -0.135 0.000 1.414 513 I HN 0.705 nan 8.210 nan 0.000 0.566 514 D N 4.595 124.341 120.400 -1.090 0.000 2.571 514 D HA -0.143 4.497 4.640 -0.001 0.000 0.231 514 D C 0.556 176.367 176.300 -0.815 0.000 1.133 514 D CA 0.708 53.598 54.000 -1.851 0.000 0.862 514 D CB 0.541 40.605 40.800 -1.227 0.000 1.179 514 D HN 0.264 nan 8.370 nan 0.000 0.474 515 F N 1.721 121.546 119.950 -0.210 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 -0.011 0.000 1.137 515 F CA 0.276 58.275 58.000 -0.002 0.000 1.444 515 F CB -0.226 38.825 39.000 0.085 0.000 1.111 515 F HN 0.496 nan 8.300 nan 0.000 0.580 516 G N 0.306 109.159 108.800 0.088 0.000 2.421 516 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.216 516 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.216 516 G C 1.729 176.677 174.900 0.079 0.000 1.171 516 G CA 0.857 46.028 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 1.804 178.133 176.300 0.048 0.000 1.090 517 M CA 2.221 57.522 55.300 0.002 0.000 1.063 517 M CB -0.275 32.288 32.600 -0.062 0.000 1.360 517 M HN 0.147 nan 8.290 nan 0.000 0.401 518 D N -0.154 120.293 120.400 0.078 0.000 2.218 518 D HA -0.104 4.536 4.640 -0.001 0.000 0.204 518 D C 1.621 177.990 176.300 0.115 0.000 0.976 518 D CA 1.320 55.380 54.000 0.100 0.000 0.853 518 D CB 0.011 40.888 40.800 0.128 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.177 121.477 121.223 0.129 0.000 2.477 519 L HA 0.161 4.500 4.340 -0.001 0.000 0.220 519 L C 2.326 179.282 176.870 0.143 0.000 1.106 519 L CA 0.264 55.200 54.840 0.159 0.000 0.851 519 L CB -0.404 41.774 42.059 0.199 0.000 0.994 519 L HN -0.146 nan 8.230 nan 0.000 0.462 520 A N 0.516 123.402 122.820 0.111 0.000 1.997 520 A HA -0.249 4.071 4.320 -0.001 0.000 0.221 520 A C 2.568 180.209 177.584 0.095 0.000 1.172 520 A CA 1.938 54.034 52.037 0.099 0.000 0.645 520 A CB -0.750 18.291 19.000 0.069 0.000 0.813 520 A HN 0.386 nan 8.150 nan 0.000 0.454 521 A N -1.049 121.823 122.820 0.087 0.000 1.851 521 A HA -0.265 4.054 4.320 -0.001 0.000 0.216 521 A C 2.468 180.098 177.584 0.076 0.000 1.195 521 A CA 1.845 53.927 52.037 0.075 0.000 0.622 521 A CB -1.514 17.530 19.000 0.073 0.000 0.831 521 A HN 0.853 nan 8.150 nan 0.000 0.444 522 C N -0.610 118.746 119.300 0.093 0.000 2.432 522 C HA -0.080 4.380 4.460 -0.001 0.000 0.277 522 C C 2.611 177.665 174.990 0.106 0.000 1.249 522 C CA 1.081 60.144 59.018 0.076 0.000 1.725 522 C CB -1.551 26.224 27.740 0.059 0.000 2.028 522 C HN 0.582 nan 8.230 nan 0.000 0.477 523 I N 1.477 122.156 120.570 0.182 0.000 2.127 523 I HA -0.225 3.945 4.170 -0.001 0.000 0.241 523 I C 2.607 178.824 176.117 0.167 0.000 1.075 523 I CA 2.132 63.590 61.300 0.264 0.000 1.334 523 I CB -0.642 37.524 38.000 0.276 0.000 1.040 523 I HN 0.466 nan 8.210 nan 0.000 0.405 524 E N 0.691 120.956 120.200 0.109 0.000 2.097 524 E HA -0.299 4.051 4.350 -0.001 0.000 0.196 524 E C 2.229 178.837 176.600 0.015 0.000 1.000 524 E CA 1.400 57.842 56.400 0.070 0.000 0.804 524 E CB -0.713 29.023 29.700 0.061 0.000 0.740 524 E HN 0.413 nan 8.360 nan 0.000 0.454 525 L N 1.029 122.235 121.223 -0.028 0.000 2.127 525 L HA -0.133 4.207 4.340 -0.001 0.000 0.211 525 L C 2.196 178.925 176.870 -0.235 0.000 1.089 525 L CA 1.370 56.123 54.840 -0.145 0.000 0.757 525 L CB -0.104 41.871 42.059 -0.140 0.000 0.899 525 L HN 0.077 nan 8.230 nan 0.000 0.434 526 I N -1.146 119.295 120.570 -0.214 0.000 2.385 526 I HA -0.057 4.112 4.170 -0.001 0.000 0.244 526 I C 1.349 177.283 176.117 -0.306 0.000 1.089 526 I CA 0.420 61.468 61.300 -0.420 0.000 1.410 526 I CB -0.222 37.393 38.000 -0.642 0.000 1.117 526 I HN 0.325 nan 8.210 nan 0.000 0.429 530 M N 0.980 120.616 119.600 0.059 0.000 2.453 530 M HA 0.325 4.805 4.480 -0.001 0.000 0.239 530 M C 0.748 177.139 176.300 0.152 0.000 1.151 530 M CA 0.410 55.738 55.300 0.047 0.000 0.989 530 M CB 0.122 32.699 32.600 -0.039 0.000 1.548 530 M HN 0.111 nan 8.290 nan 0.000 0.479 531 G N 0.310 109.191 108.800 0.135 0.000 2.572 531 G HA2 0.359 4.318 3.960 -0.001 0.000 0.261 531 G HA3 0.359 4.318 3.960 -0.001 0.000 0.261 531 G C 1.202 176.101 174.900 -0.002 0.000 1.197 531 G CA -0.689 44.439 45.100 0.047 0.000 0.870 531 G HN 0.235 nan 8.290 nan 0.000 0.548 532 I N -0.155 120.294 120.570 -0.202 0.000 2.203 532 I HA -0.354 3.816 4.170 -0.001 0.000 0.237 532 I C 2.484 178.637 176.117 0.061 0.000 0.993 532 I CA 1.925 63.118 61.300 -0.179 0.000 1.277 532 I CB -0.716 37.051 38.000 -0.388 0.000 0.984 532 I HN 0.348 nan 8.210 nan 0.000 0.402 533 F N 1.086 121.068 119.950 0.054 0.000 2.065 533 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 533 F C 3.052 178.915 175.800 0.104 0.000 1.112 533 F CA 1.827 59.884 58.000 0.094 0.000 1.212 533 F CB -1.388 37.638 39.000 0.042 0.000 0.975 533 F HN 0.030 nan 8.300 nan 0.000 0.476 534 S N 0.272 116.133 115.700 0.267 0.000 2.365 534 S HA -0.214 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 59.973 58.200 0.185 0.000 1.060 534 S CB -0.644 62.636 63.200 0.133 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.053 121.728 120.570 0.176 0.000 2.300 535 I HA -0.217 3.952 4.170 -0.001 0.000 0.252 535 I C 2.218 178.503 176.117 0.280 0.000 1.119 535 I CA 0.812 62.228 61.300 0.195 0.000 1.384 535 I CB -0.287 37.803 38.000 0.150 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 0.315 0.000 2.044 536 L HA -0.181 4.159 4.340 -0.001 0.000 0.205 536 L C 2.385 179.263 176.870 0.013 0.000 1.075 536 L CA 1.841 56.732 54.840 0.086 0.000 0.747 536 L CB -0.688 41.511 42.059 0.232 0.000 0.903 536 L HN 0.338 nan 8.230 nan 0.000 0.435 537 E N -1.505 118.766 120.200 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 0.100 0.000 1.062 537 E CA 0.351 56.804 56.400 0.089 0.000 0.867 537 E CB -0.044 29.718 29.700 0.102 0.000 0.888 537 E HN 0.643 nan 8.360 nan 0.000 0.510 538 E N 1.446 121.720 120.200 0.124 0.000 2.065 538 E HA -0.129 4.220 4.350 -0.001 0.000 0.191 538 E C 1.648 178.396 176.600 0.246 0.000 0.960 538 E CA 0.286 56.792 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 4.141 4.350 -0.001 0.000 0.199 539 E C 1.672 178.376 176.600 0.173 0.000 1.004 539 E CA 0.920 57.404 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 -0.509 118.846 119.300 0.092 0.000 2.466 540 C HA 0.037 4.497 4.460 -0.001 0.000 0.283 540 C C 2.173 177.220 174.990 0.095 0.000 1.472 540 C CA 0.435 59.486 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 -1.673 118.022 119.600 0.158 0.000 2.465 541 M HA 0.209 4.689 4.480 -0.001 0.000 0.249 541 M C -0.286 176.008 176.300 -0.011 0.000 1.130 541 M CA 0.420 55.758 55.300 0.064 0.000 1.067 541 M CB 0.221 32.839 32.600 0.029 0.000 1.394 541 M HN 0.120 nan 8.290 nan 0.000 0.483 542 F N 1.532 121.489 119.950 0.012 0.000 2.404 542 F HA 0.233 4.760 4.527 0.000 0.000 0.359 542 F C -1.478 174.328 175.800 0.011 0.000 1.134 542 F CA -2.254 55.755 58.000 0.014 0.000 1.160 542 F CB 0.244 39.256 39.000 0.020 0.000 1.186 542 F HN -0.021 nan 8.300 nan 0.000 0.526 543 P HA -0.186 nan 4.420 nan 0.000 0.224 543 P C 0.254 177.604 177.300 0.084 0.000 1.142 543 P CA 1.379 64.516 63.100 0.061 0.000 0.778 543 P CB 0.188 31.899 31.700 0.018 0.000 0.764 544 K N -1.246 119.232 120.400 0.130 0.000 3.012 544 K HA 0.435 4.755 4.320 -0.001 0.000 0.207 544 K C -0.241 176.426 176.600 0.111 0.000 1.130 544 K CA -0.338 56.011 56.287 0.103 0.000 1.021 544 K CB 1.140 33.694 32.500 0.090 0.000 0.736 544 K HN -0.010 nan 8.250 nan 0.000 0.448 545 A N 0.403 123.296 122.820 0.121 0.000 2.264 545 A HA 0.680 5.000 4.320 -0.001 0.000 0.304 545 A C 0.025 177.643 177.584 0.057 0.000 1.100 545 A CA -0.061 52.025 52.037 0.081 0.000 0.839 545 A CB 0.849 19.900 19.000 0.084 0.000 1.121 545 A HN 0.127 nan 8.150 nan 0.000 0.496 546 T N -0.153 114.432 114.554 0.051 0.000 2.916 546 T HA 0.340 4.689 4.350 -0.001 0.000 0.292 546 T C 0.169 174.919 174.700 0.083 0.000 1.064 546 T CA -0.386 61.747 62.100 0.055 0.000 1.011 546 T CB 1.475 70.373 68.868 0.050 0.000 1.152 546 T HN 0.584 nan 8.240 nan 0.000 0.510 547 D N 0.976 121.422 120.400 0.077 0.000 2.104 547 D HA -0.088 4.552 4.640 -0.001 0.000 0.194 547 D C 2.092 178.462 176.300 0.117 0.000 0.994 547 D CA 1.516 55.586 54.000 0.116 0.000 0.830 547 D CB -0.314 40.509 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 2.075 176.802 174.700 0.044 0.000 1.037 548 T CA 1.822 63.953 62.100 0.052 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 0.045 0.000 1.035 549 S CA 0.471 58.690 58.200 0.032 0.000 1.037 549 S CB -0.902 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 0.936 121.145 120.300 -0.153 0.000 2.114 555 Y HA -0.091 4.460 4.550 0.002 0.000 0.284 555 Y C 2.206 178.034 175.900 -0.120 0.000 1.119 555 Y CA 1.712 59.784 58.100 -0.046 0.000 1.108 555 Y CB -0.671 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 -0.141 120.310 120.400 0.086 0.000 2.244 556 D HA -0.246 4.393 4.640 -0.001 0.000 0.197 556 D C 1.948 178.186 176.300 -0.104 0.000 1.006 556 D CA 1.974 55.966 54.000 -0.013 0.000 0.888 556 D CB -0.140 40.640 40.800 -0.034 0.000 0.912 556 D HN 0.495 nan 8.370 nan 0.000 0.452 557 E N -1.472 118.601 120.200 -0.212 0.000 2.307 557 E HA -0.041 4.308 4.350 -0.001 0.000 0.195 557 E C 1.524 177.769 176.600 -0.591 0.000 0.975 557 E CA 0.733 56.896 56.400 -0.395 0.000 0.878 557 E CB 0.229 29.631 29.700 -0.497 0.000 0.845 557 E HN 0.323 nan 8.360 nan 0.000 0.488 558 H N -0.711 118.120 119.070 -0.399 0.000 2.788 558 H HA 0.225 4.780 4.556 -0.001 0.000 0.262 558 H C 0.238 175.407 175.328 -0.266 0.000 0.968 558 H CA -0.163 55.553 56.048 -0.553 0.000 1.218 558 H CB 0.264 29.253 29.762 -1.289 0.000 1.443 558 H HN 0.143 nan 8.280 nan 0.000 0.478 559 L N 1.244 122.498 121.223 0.053 0.000 2.499 559 L HA 0.161 4.501 4.340 -0.001 0.000 0.273 559 L C 1.305 178.270 176.870 0.157 0.000 1.195 559 L CA 1.118 56.157 54.840 0.331 0.000 0.882 559 L CB 0.340 42.650 42.059 0.418 0.000 1.133 559 L HN 0.570 nan 8.230 nan 0.000 0.483 560 G N 3.023 111.927 108.800 0.173 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 0.076 0.000 1.037 560 G CA 0.545 45.703 45.100 0.097 0.000 0.622 560 G HN 0.645 nan 8.290 nan 0.000 0.521 561 K N 0.146 120.587 120.400 0.068 0.000 2.323 561 K HA 0.304 4.623 4.320 -0.001 0.000 0.197 561 K C 0.418 177.060 176.600 0.071 0.000 1.043 561 K CA 0.665 56.976 56.287 0.040 0.000 0.997 561 K CB 0.209 32.702 32.500 -0.011 0.000 0.807 561 K HN 0.313 nan 8.250 nan 0.000 0.497 562 S N 0.049 115.823 115.700 0.123 0.000 2.532 562 S HA 0.213 4.683 4.470 -0.001 0.000 0.299 562 S C 0.225 174.936 174.600 0.186 0.000 1.105 562 S CA -0.644 57.647 58.200 0.150 0.000 1.018 562 S CB 1.775 65.071 63.200 0.160 0.000 1.021 562 S HN 0.232 nan 8.310 nan 0.000 0.483 563 N N 2.752 121.532 118.700 0.134 0.000 2.250 563 N HA -0.035 4.705 4.740 -0.001 0.000 0.181 563 N C 1.029 176.614 175.510 0.124 0.000 1.017 563 N CA 0.749 53.869 53.050 0.115 0.000 0.866 563 N CB 0.008 38.545 38.487 0.084 0.000 0.985 563 N HN 0.545 nan 8.380 nan 0.000 0.429 564 N N -0.853 117.925 118.700 0.129 0.000 2.494 564 N HA -0.025 4.714 4.740 -0.001 0.000 0.182 564 N C -0.616 174.984 175.510 0.152 0.000 1.076 564 N CA 0.178 53.296 53.050 0.113 0.000 0.908 564 N CB 0.162 38.698 38.487 0.082 0.000 0.967 564 N HN 0.141 nan 8.380 nan 0.000 0.449 565 F N 1.652 121.623 119.950 0.036 0.000 2.404 565 F HA 0.359 4.885 4.527 -0.001 0.000 0.345 565 F C -0.134 175.728 175.800 0.103 0.000 1.110 565 F CA -0.254 57.779 58.000 0.056 0.000 1.130 565 F CB 0.636 39.645 39.000 0.015 0.000 1.129 565 F HN -0.119 nan 8.300 nan 0.000 0.500 566 Q N 4.175 123.712 119.800 -0.438 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 -1.302 54.387 55.803 -0.190 0.000 0.801 566 Q CB 2.994 31.696 28.738 -0.060 0.000 1.455 566 Q HN 0.641 nan 8.270 nan 0.000 0.398 567 K N 0.555 120.924 120.400 -0.052 0.000 2.172 567 K HA 0.577 4.896 4.320 -0.001 0.000 0.276 567 K C -2.544 174.055 176.600 -0.003 0.000 1.013 567 K CA -1.689 54.615 56.287 0.028 0.000 0.913 567 K CB 0.774 33.288 32.500 0.024 0.000 1.055 567 K HN 0.114 nan 8.250 nan 0.000 0.461 568 P HA -0.002 nan 4.420 nan 0.000 0.269 568 P C -0.995 176.287 177.300 -0.029 0.000 1.215 568 P CA -0.303 62.780 63.100 -0.029 0.000 0.780 568 P CB 0.481 32.151 31.700 -0.050 0.000 0.898 569 K N 3.198 123.578 120.400 -0.033 0.000 2.250 569 K HA 0.160 4.480 4.320 -0.001 0.000 0.285 569 K C -1.607 174.973 176.600 -0.032 0.000 1.097 569 K CA -1.562 54.709 56.287 -0.026 0.000 0.913 569 K CB 0.595 33.084 32.500 -0.018 0.000 1.179 569 K HN 0.299 nan 8.250 nan 0.000 0.462 570 P HA -0.049 nan 4.420 nan 0.000 0.225 570 P C -0.290 177.002 177.300 -0.015 0.000 1.156 570 P CA 0.515 63.596 63.100 -0.032 0.000 0.787 570 P CB 0.429 32.109 31.700 -0.033 0.000 0.802 571 A N -1.167 121.647 122.820 -0.009 0.000 2.384 571 A HA 0.763 5.082 4.320 -0.001 0.000 0.312 571 A C 0.212 177.798 177.584 0.002 0.000 1.113 571 A CA -0.280 51.757 52.037 -0.001 0.000 0.779 571 A CB 1.681 20.680 19.000 -0.001 0.000 1.307 571 A HN -0.063 nan 8.150 nan 0.000 0.436 572 K N -0.978 119.426 120.400 0.007 0.000 8.038 572 K HA -0.086 4.233 4.320 -0.001 0.000 0.228 572 K C 0.901 177.510 176.600 0.016 0.000 1.590 572 K CA 0.182 56.475 56.287 0.010 0.000 0.932 572 K CB -1.039 31.466 32.500 0.008 0.000 0.482 572 K HN 1.010 nan 8.250 nan 0.000 0.444 573 G N 1.837 110.650 108.800 0.020 0.000 3.088 573 G HA2 0.137 4.096 3.960 -0.001 0.000 0.217 573 G HA3 0.137 4.096 3.960 -0.001 0.000 0.217 573 G C -0.100 174.827 174.900 0.044 0.000 1.159 573 G CA 0.081 45.199 45.100 0.029 0.000 0.760 573 G HN 0.082 nan 8.290 nan 0.000 0.550 574 K N -0.221 120.201 120.400 0.037 0.000 2.126 574 K HA 0.544 4.863 4.320 -0.001 0.000 0.257 574 K C 0.931 177.572 176.600 0.069 0.000 1.007 574 K CA 0.055 56.373 56.287 0.053 0.000 0.928 574 K CB 1.668 34.178 32.500 0.015 0.000 1.013 574 K HN 0.002 nan 8.250 nan 0.000 0.473 575 A N 1.250 124.143 122.820 0.121 0.000 2.108 575 A HA 0.085 4.404 4.320 -0.001 0.000 0.206 575 A C 0.524 178.175 177.584 0.111 0.000 1.212 575 A CA 0.690 52.808 52.037 0.134 0.000 0.843 575 A CB 0.302 19.436 19.000 0.224 0.000 0.902 575 A HN 0.800 nan 8.150 nan 0.000 0.477 576 E N -2.461 117.796 120.200 0.094 0.000 2.394 576 E HA 0.620 4.969 4.350 -0.001 0.000 0.266 576 E C -1.631 174.906 176.600 -0.106 0.000 1.065 576 E CA -0.483 55.919 56.400 0.003 0.000 0.885 576 E CB 1.473 31.184 29.700 0.018 0.000 1.659 576 E HN 0.290 nan 8.360 nan 0.000 0.462 577 A N 0.536 123.199 122.820 -0.262 0.000 2.324 577 A HA 0.672 4.992 4.320 -0.001 0.000 0.330 577 A C -0.637 176.463 177.584 -0.807 0.000 1.165 577 A CA -0.093 51.746 52.037 -0.329 0.000 0.813 577 A CB 0.614 19.490 19.000 -0.206 0.000 1.197 577 A HN 0.752 nan 8.150 nan 0.000 0.484 578 H N 0.593 119.660 119.070 -0.006 0.000 1.718 578 H HA 0.157 4.713 4.556 -0.000 0.000 0.132 578 H C -0.834 174.578 175.328 0.139 0.000 1.127 578 H CA 0.988 57.062 56.048 0.043 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 1.372 121.330 119.950 0.014 0.000 2.680 579 F HA 0.577 5.104 4.527 -0.001 0.000 0.315 579 F C -1.595 174.181 175.800 -0.040 0.000 1.099 579 F CA -1.064 56.860 58.000 -0.127 0.000 1.033 579 F CB 1.032 39.847 39.000 -0.308 0.000 1.285 579 F HN -0.020 nan 8.300 nan 0.000 0.457 580 S N 3.417 119.111 115.700 -0.010 0.000 2.593 580 S HA 0.899 5.369 4.470 -0.001 0.000 0.297 580 S C -1.238 173.438 174.600 0.126 0.000 1.112 580 S CA -0.760 57.440 58.200 -0.000 0.000 1.043 580 S CB 2.260 65.439 63.200 -0.036 0.000 1.054 580 S HN 0.747 nan 8.310 nan 0.000 0.516 581 L N 1.226 122.580 121.223 0.217 0.000 2.341 581 L HA 0.579 4.918 4.340 -0.001 0.000 0.267 581 L C -0.828 176.134 176.870 0.153 0.000 1.009 581 L CA -0.617 54.344 54.840 0.201 0.000 0.819 581 L CB 2.298 44.514 42.059 0.262 0.000 1.323 581 L HN 0.632 nan 8.230 nan 0.000 0.425 582 V N 3.028 122.984 119.914 0.070 0.000 2.217 582 V HA 0.314 4.434 4.120 -0.001 0.000 0.264 582 V C 0.149 176.294 176.094 0.085 0.000 1.107 582 V CA -0.655 61.701 62.300 0.093 0.000 0.913 582 V CB -0.373 31.496 31.823 0.078 0.000 1.153 582 V HN 0.573 nan 8.190 nan 0.000 0.469 583 H N 2.671 121.823 119.070 0.136 0.000 2.544 583 H HA 0.103 4.658 4.556 -0.001 0.000 0.365 583 H C 1.192 176.474 175.328 -0.076 0.000 1.268 583 H CA 0.228 56.329 56.048 0.089 0.000 1.400 583 H CB 1.231 31.122 29.762 0.215 0.000 1.538 583 H HN 0.664 nan 8.280 nan 0.000 0.597 584 Y N -0.042 120.324 120.300 0.109 0.000 2.207 584 Y HA -0.162 4.388 4.550 -0.000 0.000 0.287 584 Y C 2.211 178.025 175.900 -0.144 0.000 1.156 584 Y CA 1.083 59.173 58.100 -0.017 0.000 1.182 584 Y CB -0.909 37.542 38.460 -0.015 0.000 0.979 584 Y HN 0.526 nan 8.280 nan 0.000 0.521 585 A N 0.516 122.740 122.820 -0.993 0.000 2.014 585 A HA 0.433 4.752 4.320 -0.001 0.000 0.218 585 A C 1.581 178.954 177.584 -0.352 0.000 1.163 585 A CA 1.322 52.898 52.037 -0.769 0.000 0.652 585 A CB -1.109 16.959 19.000 -1.554 0.000 0.808 585 A HN 0.984 nan 8.150 nan 0.000 0.449 586 G N -2.861 105.807 108.800 -0.220 0.000 2.350 586 G HA2 0.330 4.289 3.960 -0.001 0.000 0.276 586 G HA3 0.330 4.289 3.960 -0.001 0.000 0.276 586 G C -0.773 174.193 174.900 0.110 0.000 1.313 586 G CA -0.108 44.978 45.100 -0.022 0.000 0.903 586 G HN 0.200 nan 8.290 nan 0.000 0.490 587 T N 0.641 115.248 114.554 0.088 0.000 2.743 587 T HA 0.550 4.899 4.350 -0.001 0.000 0.293 587 T C -0.056 174.672 174.700 0.048 0.000 0.945 587 T CA -0.101 62.056 62.100 0.096 0.000 1.030 587 T CB 1.201 70.093 68.868 0.040 0.000 0.912 587 T HN 0.729 nan 8.240 nan 0.000 0.483 588 V N 4.428 124.374 119.914 0.053 0.000 2.417 588 V HA 0.317 4.437 4.120 -0.001 0.000 0.291 588 V C -0.131 175.721 176.094 -0.404 0.000 1.024 588 V CA -1.025 61.119 62.300 -0.261 0.000 0.861 588 V CB 1.809 33.329 31.823 -0.504 0.000 0.985 588 V HN 0.813 nan 8.190 nan 0.000 0.436 589 D N 4.273 124.421 120.400 -0.419 0.000 2.347 589 D HA 0.326 4.966 4.640 -0.001 0.000 0.235 589 D C -0.932 175.076 176.300 -0.486 0.000 1.149 589 D CA 0.111 53.903 54.000 -0.346 0.000 0.850 589 D CB 1.180 41.864 40.800 -0.193 0.000 1.061 589 D HN 0.440 nan 8.370 nan 0.000 0.487 590 Y N 1.288 121.305 120.300 -0.472 0.000 2.342 590 Y HA 0.169 4.718 4.550 -0.001 0.000 0.334 590 Y C 1.008 176.657 175.900 -0.419 0.000 1.067 590 Y CA -0.874 56.902 58.100 -0.539 0.000 1.128 590 Y CB 1.192 39.151 38.460 -0.835 0.000 1.200 590 Y HN 0.207 nan 8.280 nan 0.000 0.464 591 N N 3.957 122.599 118.700 -0.098 0.000 2.424 591 N HA 0.276 5.015 4.740 -0.001 0.000 0.271 591 N C -1.105 174.226 175.510 -0.297 0.000 0.985 591 N CA -0.305 52.748 53.050 0.005 0.000 0.921 591 N CB 0.787 39.215 38.487 -0.098 0.000 1.149 591 N HN 0.750 nan 8.380 nan 0.000 0.492 592 I N 2.861 122.894 120.570 -0.895 0.000 2.261 592 I HA 0.050 4.220 4.170 -0.001 0.000 0.285 592 I C 0.197 175.818 176.117 -0.828 0.000 1.113 592 I CA -0.230 60.167 61.300 -1.506 0.000 1.377 592 I CB 0.046 37.389 38.000 -1.095 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.294 117.828 115.700 -0.277 0.000 2.652 593 S HA 0.693 5.162 4.470 -0.001 0.000 0.252 593 S C 0.279 175.051 174.600 0.286 0.000 1.219 593 S CA 0.079 58.303 58.200 0.041 0.000 1.151 593 S CB 1.280 64.531 63.200 0.085 0.000 1.080 593 S HN 0.804 nan 8.310 nan 0.000 0.481 594 G N 2.749 111.710 108.800 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 0.572 175.579 174.900 0.179 0.000 1.002 594 G CA 0.083 45.307 45.100 0.207 0.000 0.697 594 G HN 0.564 nan 8.290 nan 0.000 0.483 595 W N 0.781 121.989 121.300 -0.152 0.000 2.317 595 W HA 0.113 4.774 4.660 0.001 0.000 0.318 595 W C 2.394 178.652 176.519 -0.435 0.000 1.227 595 W CA 1.490 58.620 57.345 -0.357 0.000 1.269 595 W CB -1.312 27.997 29.460 -0.252 0.000 1.155 595 W HN 0.278 nan 8.180 nan 0.000 0.484 596 L N 0.192 121.367 121.223 -0.081 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 -0.122 0.000 1.074 596 L CA 1.739 56.483 54.840 -0.162 0.000 0.763 596 L CB -1.278 40.718 42.059 -0.105 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 0.037 0.000 1.233 602 P CA -0.373 62.750 63.100 0.039 0.000 0.764 602 P CB 0.687 32.399 31.700 0.020 0.000 0.825 603 L N 2.991 124.234 121.223 0.032 0.000 2.436 603 L HA 0.316 4.656 4.340 -0.001 0.000 0.268 603 L C 0.103 176.950 176.870 -0.039 0.000 0.974 603 L CA -0.839 54.002 54.840 0.002 0.000 0.826 603 L CB 1.681 43.738 42.059 -0.004 0.000 1.291 603 L HN 0.317 nan 8.230 nan 0.000 0.406 604 N N 2.166 120.824 118.700 -0.070 0.000 2.406 604 N HA -0.031 4.709 4.740 -0.001 0.000 0.274 604 N C 0.621 176.042 175.510 -0.148 0.000 1.249 604 N CA 0.478 53.469 53.050 -0.098 0.000 0.951 604 N CB 0.496 38.922 38.487 -0.101 0.000 1.241 604 N HN 0.654 nan 8.380 nan 0.000 0.485 605 E N 1.612 121.748 120.200 -0.107 0.000 2.265 605 E HA -0.138 4.211 4.350 -0.001 0.000 0.196 605 E C 0.916 177.432 176.600 -0.141 0.000 0.996 605 E CA 1.327 57.660 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 0.106 114.582 114.554 -0.130 0.000 2.737 606 T HA -0.122 4.228 4.350 -0.001 0.000 0.265 606 T C 2.047 176.631 174.700 -0.193 0.000 1.038 606 T CA 1.146 63.173 62.100 -0.122 0.000 1.144 606 T CB -0.158 68.659 68.868 -0.086 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.181 121.936 119.914 -0.265 0.000 2.287 607 V HA -0.159 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 1.422 63.461 62.300 -0.434 0.000 1.027 607 V CB -0.755 30.805 31.823 -0.438 0.000 0.646 607 V HN 0.496 nan 8.190 nan 0.000 0.447 608 I N 1.004 121.126 120.570 -0.747 0.000 2.315 608 I HA -0.230 3.940 4.170 -0.001 0.000 0.251 608 I C 2.566 178.413 176.117 -0.450 0.000 1.125 608 I CA 1.782 62.584 61.300 -0.829 0.000 1.392 608 I CB -1.364 36.308 38.000 -0.547 0.000 1.065 608 I HN 0.462 nan 8.210 nan 0.000 0.424 609 G N 1.587 110.212 108.800 -0.291 0.000 2.459 609 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.217 609 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.217 609 G C 1.531 176.368 174.900 -0.105 0.000 1.183 609 G CA 0.448 45.466 45.100 -0.138 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N 0.006 121.143 121.223 -0.143 0.000 2.043 610 L HA -0.087 4.252 4.340 -0.001 0.000 0.212 610 L C 2.719 179.633 176.870 0.074 0.000 1.075 610 L CA 0.918 55.734 54.840 -0.039 0.000 0.752 610 L CB -1.349 40.689 42.059 -0.034 0.000 0.891 610 L HN 0.236 nan 8.230 nan 0.000 0.432 611 Y N -0.250 119.981 120.300 -0.115 0.000 2.128 611 Y HA -0.153 4.396 4.550 -0.001 0.000 0.284 611 Y C 1.915 177.792 175.900 -0.037 0.000 1.154 611 Y CA -0.139 57.897 58.100 -0.108 0.000 1.149 611 Y CB -1.168 37.117 38.460 -0.291 0.000 0.976 611 Y HN 0.311 nan 8.280 nan 0.000 0.505 615 S N 0.612 116.316 115.700 0.006 0.000 2.528 615 S HA 0.253 4.723 4.470 -0.001 0.000 0.219 615 S C 0.725 175.311 174.600 -0.024 0.000 0.985 615 S CA 0.120 58.318 58.200 -0.004 0.000 0.914 615 S CB -0.119 63.081 63.200 -0.001 0.000 0.776 615 S HN 0.537 nan 8.310 nan 0.000 0.526 619 L N 2.876 123.938 121.223 -0.269 0.000 2.042 619 L HA 0.269 4.608 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 57.459 54.840 -0.181 0.000 0.749 619 L CB -0.949 41.012 42.059 -0.163 0.000 0.893 619 L HN 0.389 nan 8.230 nan 0.000 0.432 620 A N -0.668 122.129 122.820 -0.038 0.000 1.883 620 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 620 A C 2.239 179.847 177.584 0.040 0.000 1.186 620 A CA 2.062 54.122 52.037 0.039 0.000 0.624 620 A CB -0.971 18.039 19.000 0.016 0.000 0.822 620 A HN 0.448 nan 8.150 nan 0.000 0.444 621 L N -0.962 120.224 121.223 -0.063 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 1.595 56.388 54.840 -0.077 0.000 0.751 621 L CB -0.673 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 -1.584 119.523 121.223 -0.194 0.000 2.171 622 L HA -0.294 4.046 4.340 -0.001 0.000 0.216 622 L C 2.161 178.972 176.870 -0.098 0.000 1.084 622 L CA 1.899 56.601 54.840 -0.230 0.000 0.771 622 L CB -0.896 40.944 42.059 -0.366 0.000 0.890 622 L HN 0.164 nan 8.230 nan 0.000 0.437 623 F N -1.683 118.341 119.950 0.124 0.000 2.664 623 F HA 0.127 4.654 4.527 -0.001 0.000 0.296 623 F C 2.191 178.170 175.800 0.299 0.000 1.125 623 F CA 0.467 58.635 58.000 0.279 0.000 1.444 623 F CB -0.546 38.568 39.000 0.190 0.000 1.114 623 F HN 0.015 nan 8.300 nan 0.000 0.576 624 A N -0.028 122.961 122.820 0.282 0.000 1.909 624 A HA -0.392 3.927 4.320 -0.001 0.000 0.221 624 A C 2.337 180.007 177.584 0.145 0.000 1.223 624 A CA 2.842 54.981 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 -2.487 112.121 114.554 0.091 0.000 2.833 625 T HA -0.172 4.178 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 1.795 63.871 62.100 -0.041 0.000 1.135 625 T CB -0.490 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 1.227 121.620 120.300 0.155 0.000 2.163 626 Y HA 0.177 4.726 4.550 -0.001 0.000 0.288 626 Y C 2.993 178.957 175.900 0.107 0.000 1.136 626 Y CA 0.995 59.196 58.100 0.168 0.000 1.147 626 Y CB -0.982 37.643 38.460 0.274 0.000 0.987 626 Y HN 0.333 nan 8.280 nan 0.000 0.509 627 G N -0.438 108.527 108.800 0.275 0.000 2.432 627 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.219 627 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.219 627 G C 1.931 176.884 174.900 0.089 0.000 1.135 627 G CA 0.934 46.127 45.100 0.154 0.000 0.767 627 G HN 0.526 nan 8.290 nan 0.000 0.550 628 G N 0.122 108.962 108.800 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 1.471 176.374 174.900 0.004 0.000 1.133 628 G CA 0.528 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 0.336 120.537 120.200 0.001 0.000 2.447 629 E HA 0.238 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 56.622 56.400 -0.020 0.000 0.876 629 E CB 0.215 29.879 29.700 -0.059 0.000 0.885 629 E HN 0.359 nan 8.360 nan 0.000 0.500 630 A N 1.719 124.561 122.820 0.037 0.000 2.024 630 A HA -0.259 4.060 4.320 -0.001 0.000 0.220 630 A C 1.864 179.459 177.584 0.019 0.000 1.164 630 A CA 1.306 53.367 52.037 0.039 0.000 0.643 630 A CB -0.337 18.691 19.000 0.046 0.000 0.806 630 A HN 0.196 nan 8.150 nan 0.000 0.451 631 E N -0.703 119.504 120.200 0.011 0.000 2.097 631 E HA -0.188 4.162 4.350 -0.001 0.000 0.196 631 E C 2.063 178.662 176.600 -0.002 0.000 1.000 631 E CA 0.990 57.392 56.400 0.003 0.000 0.804 631 E CB -0.420 29.280 29.700 -0.001 0.000 0.740 631 E HN 0.634 nan 8.360 nan 0.000 0.454 632 G N 0.430 109.227 108.800 -0.006 0.000 2.471 632 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.219 632 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.219 632 G C 1.048 175.944 174.900 -0.007 0.000 1.125 632 G CA 0.688 45.781 45.100 -0.011 0.000 0.775 632 G HN 0.330 nan 8.290 nan 0.000 0.548 633 G N -0.266 108.535 108.800 0.001 0.000 4.637 633 G HA2 0.434 4.393 3.960 -0.001 0.000 0.294 633 G HA3 0.434 4.393 3.960 -0.001 0.000 0.294 633 G C 1.088 175.992 174.900 0.006 0.000 1.215 633 G CA 0.647 45.750 45.100 0.005 0.000 0.943 633 G HN 0.333 nan 8.290 nan 0.000 0.572 634 G N 0.679 109.480 108.800 0.001 0.000 2.446 634 G HA2 0.232 4.192 3.960 -0.001 0.000 0.217 634 G HA3 0.232 4.192 3.960 -0.001 0.000 0.217 634 G C 0.938 175.837 174.900 -0.001 0.000 1.168 634 G CA 0.942 46.042 45.100 0.001 0.000 0.771 634 G HN 0.726 nan 8.290 nan 0.000 0.551 635 G N -0.828 107.969 108.800 -0.005 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 -0.559 174.336 174.900 -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 1.394 121.788 120.400 -0.009 0.000 2.511 636 K HA 0.219 4.539 4.320 -0.001 0.000 0.280 636 K C -0.052 176.536 176.600 -0.020 0.000 1.008 636 K CA 0.827 57.107 56.287 -0.011 0.000 1.050 636 K CB 0.241 32.736 32.500 -0.009 0.000 0.889 636 K HN 0.658 nan 8.250 nan 0.000 0.484 637 K N -0.331 120.055 120.400 -0.023 0.000 7.478 637 K HA -0.114 4.206 4.320 -0.001 0.000 1.018 637 K C 0.167 176.739 176.600 -0.047 0.000 1.997 637 K CA -0.010 56.250 56.287 -0.044 0.000 1.165 637 K CB -1.238 31.228 32.500 -0.057 0.000 2.198 637 K HN 0.978 nan 8.250 nan 0.000 0.323 638 G N -0.934 107.828 108.800 -0.062 0.000 2.482 638 G HA2 0.264 4.223 3.960 -0.001 0.000 0.214 638 G HA3 0.264 4.223 3.960 -0.001 0.000 0.214 638 G C -0.309 174.568 174.900 -0.038 0.000 1.271 638 G CA 0.042 45.111 45.100 -0.053 0.000 0.944 638 G HN 1.270 nan 8.290 nan 0.000 0.568 639 G N -0.623 108.163 108.800 -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 0.476 175.373 174.900 -0.005 0.000 1.395 639 G CA 0.343 45.436 45.100 -0.012 0.000 0.964 639 G HN 0.696 nan 8.290 nan 0.000 0.511 640 K N 1.314 121.719 120.400 0.008 0.000 2.211 640 K HA -0.066 4.254 4.320 -0.001 0.000 0.203 640 K C 2.044 178.632 176.600 -0.020 0.000 1.050 640 K CA 0.832 57.126 56.287 0.011 0.000 0.945 640 K CB 0.188 32.715 32.500 0.045 0.000 0.732 640 K HN 0.408 nan 8.250 nan 0.000 0.451 641 K N 1.132 121.514 120.400 -0.030 0.000 2.283 641 K HA -0.097 4.223 4.320 -0.001 0.000 0.202 641 K C 1.679 178.244 176.600 -0.058 0.000 1.048 641 K CA 0.940 57.189 56.287 -0.063 0.000 0.948 641 K CB 0.020 32.493 32.500 -0.045 0.000 0.742 641 K HN 0.114 nan 8.250 nan 0.000 0.458 642 K N -0.054 120.323 120.400 -0.038 0.000 2.160 642 K HA -0.142 4.178 4.320 -0.001 0.000 0.206 642 K C 1.846 178.424 176.600 -0.036 0.000 1.047 642 K CA 1.397 57.665 56.287 -0.032 0.000 0.930 642 K CB -0.065 32.422 32.500 -0.022 0.000 0.720 642 K HN 0.273 nan 8.250 nan 0.000 0.450 643 G N -0.466 108.310 108.800 -0.041 0.000 3.377 643 G HA2 0.056 4.016 3.960 -0.001 0.000 0.257 643 G HA3 0.056 4.016 3.960 -0.001 0.000 0.257 643 G C 0.136 174.994 174.900 -0.070 0.000 1.038 643 G CA 0.334 45.410 45.100 -0.041 0.000 0.809 643 G HN 0.186 nan 8.290 nan 0.000 0.526 644 S N -1.235 114.400 115.700 -0.108 0.000 2.872 644 S HA -0.210 4.259 4.470 -0.001 0.000 0.270 644 S C 0.453 174.881 174.600 -0.287 0.000 1.345 644 S CA 0.431 58.518 58.200 -0.188 0.000 1.080 644 S CB -2.675 60.428 63.200 -0.162 0.000 1.328 644 S HN 1.637 nan 8.310 nan 0.000 0.692 645 S N 0.835 116.417 115.700 -0.196 0.000 2.586 645 S HA 0.763 5.232 4.470 -0.001 0.000 0.274 645 S C 0.050 174.537 174.600 -0.189 0.000 1.281 645 S CA -0.828 57.273 58.200 -0.166 0.000 1.035 645 S CB 0.213 63.425 63.200 0.019 0.000 0.962 645 S HN 0.376 nan 8.310 nan 0.000 0.512 646 F N 1.468 121.421 119.950 0.004 0.000 2.518 646 F HA 0.209 4.736 4.527 -0.001 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 0.016 0.000 1.287 646 F CB 0.473 39.489 39.000 0.028 0.000 1.132 646 F HN 0.706 nan 8.300 nan 0.000 0.587 647 Q N 0.086 120.000 119.800 0.191 0.000 2.392 647 Q HA 0.103 4.443 4.340 -0.001 0.000 0.219 647 Q C 0.372 176.441 176.000 0.116 0.000 0.895 647 Q CA 0.402 56.276 55.803 0.119 0.000 0.929 647 Q CB 0.899 29.680 28.738 0.072 0.000 1.077 647 Q HN 0.675 nan 8.270 nan 0.000 0.532 648 T N -0.798 113.842 114.554 0.145 0.000 2.900 648 T HA 0.245 4.595 4.350 -0.001 0.000 0.295 648 T C 0.117 174.870 174.700 0.088 0.000 1.044 648 T CA -0.495 61.662 62.100 0.094 0.000 0.995 648 T CB 2.061 70.977 68.868 0.080 0.000 1.072 648 T HN -0.181 nan 8.240 nan 0.000 0.473 649 V N 3.478 123.411 119.914 0.032 0.000 3.592 649 V HA 0.091 4.211 4.120 -0.001 0.000 0.272 649 V C 1.467 177.639 176.094 0.129 0.000 1.228 649 V CA 1.914 64.242 62.300 0.046 0.000 1.173 649 V CB -0.469 31.341 31.823 -0.021 0.000 0.873 649 V HN 0.981 nan 8.190 nan 0.000 0.476 650 S N -2.526 113.227 115.700 0.090 0.000 2.546 650 S HA 0.243 4.713 4.470 -0.001 0.000 0.282 650 S C 1.770 176.354 174.600 -0.026 0.000 1.074 650 S CA 0.523 58.713 58.200 -0.018 0.000 1.254 650 S CB 0.205 63.293 63.200 -0.188 0.000 1.103 650 S HN 0.372 nan 8.310 nan 0.000 0.589 651 A N 2.276 125.131 122.820 0.057 0.000 1.940 651 A HA 0.147 4.466 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 1.627 53.722 52.037 0.096 0.000 0.631 651 A CB -0.783 18.312 19.000 0.158 0.000 0.814 651 A HN 0.496 nan 8.150 nan 0.000 0.446 652 L N -2.627 118.707 121.223 0.185 0.000 2.071 652 L HA 0.004 4.344 4.340 -0.001 0.000 0.201 652 L C 2.300 179.262 176.870 0.154 0.000 1.076 652 L CA 1.144 56.103 54.840 0.198 0.000 0.755 652 L CB -0.699 41.488 42.059 0.214 0.000 0.915 652 L HN 0.410 nan 8.230 nan 0.000 0.445 653 F N 1.389 121.350 119.950 0.019 0.000 2.076 653 F HA -0.398 4.128 4.527 -0.001 0.000 0.294 653 F C 2.580 178.401 175.800 0.035 0.000 1.078 653 F CA 1.964 59.972 58.000 0.013 0.000 1.247 653 F CB -0.438 38.514 39.000 -0.080 0.000 0.984 653 F HN -0.076 nan 8.300 nan 0.000 0.491 654 R N -0.080 120.281 120.500 -0.231 0.000 2.070 654 R HA -0.179 4.161 4.340 -0.001 0.000 0.233 654 R C 2.273 178.490 176.300 -0.140 0.000 1.137 654 R CA 1.802 57.771 56.100 -0.217 0.000 0.945 654 R CB -0.734 29.540 30.300 -0.044 0.000 0.845 654 R HN 0.403 nan 8.270 nan 0.000 0.430 655 E N 0.295 120.473 120.200 -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 -0.002 0.000 0.992 655 E CA 1.625 58.027 56.400 0.003 0.000 0.804 655 E CB 0.025 29.758 29.700 0.055 0.000 0.741 655 E HN 0.375 nan 8.360 nan 0.000 0.458 656 N N -0.415 118.293 118.700 0.013 0.000 2.135 656 N HA -0.122 4.618 4.740 -0.001 0.000 0.186 656 N C 1.611 177.105 175.510 -0.026 0.000 1.027 656 N CA 0.494 53.596 53.050 0.086 0.000 0.849 656 N CB -0.049 38.583 38.487 0.241 0.000 1.002 656 N HN 0.071 nan 8.380 nan 0.000 0.425 657 L N 1.202 122.279 121.223 -0.243 0.000 2.450 657 L HA 0.054 4.393 4.340 -0.001 0.000 0.224 657 L C -0.106 176.597 176.870 -0.278 0.000 1.149 657 L CA 1.192 55.789 54.840 -0.405 0.000 0.816 657 L CB -0.699 40.960 42.059 -0.667 0.000 0.932 657 L HN 0.066 nan 8.230 nan 0.000 0.449 661 M N 0.894 120.303 119.600 -0.319 0.000 2.435 661 M HA 0.019 4.499 4.480 -0.001 0.000 0.262 661 M C 1.953 178.097 176.300 -0.260 0.000 1.065 661 M CA 1.634 56.721 55.300 -0.355 0.000 1.076 661 M CB -1.270 31.142 32.600 -0.314 0.000 1.403 661 M HN 0.568 nan 8.290 nan 0.000 0.454 662 A N -0.226 122.503 122.820 -0.151 0.000 1.943 662 A HA -0.045 4.274 4.320 -0.001 0.000 0.213 662 A C 2.006 179.585 177.584 -0.010 0.000 1.181 662 A CA 0.929 52.928 52.037 -0.063 0.000 0.653 662 A CB -0.356 18.630 19.000 -0.023 0.000 0.833 662 A HN 0.380 nan 8.150 nan 0.000 0.451 663 N N -0.165 118.534 118.700 -0.002 0.000 2.270 663 N HA -0.054 4.686 4.740 -0.001 0.000 0.181 663 N C 1.387 176.989 175.510 0.154 0.000 1.016 663 N CA 0.752 53.890 53.050 0.146 0.000 0.870 663 N CB -0.235 38.372 38.487 0.200 0.000 0.979 663 N HN 0.275 nan 8.380 nan 0.000 0.431 664 L N 1.470 122.645 121.223 -0.080 0.000 2.141 664 L HA 0.007 4.347 4.340 -0.001 0.000 0.209 664 L C 2.168 179.002 176.870 -0.060 0.000 1.094 664 L CA 1.192 55.918 54.840 -0.190 0.000 0.763 664 L CB -0.348 41.330 42.059 -0.635 0.000 0.908 664 L HN 0.083 nan 8.230 nan 0.000 0.437 665 R N -1.011 119.472 120.500 -0.029 0.000 2.062 665 R HA -0.004 4.335 4.340 -0.001 0.000 0.229 665 R C 1.586 177.975 176.300 0.149 0.000 1.128 665 R CA 1.350 57.531 56.100 0.135 0.000 0.960 665 R CB -0.502 29.846 30.300 0.081 0.000 0.855 665 R HN 0.364 nan 8.270 nan 0.000 0.432 666 S N 0.733 116.507 115.700 0.123 0.000 3.009 666 S HA 0.061 4.530 4.470 -0.001 0.000 0.243 666 S C 0.046 174.692 174.600 0.077 0.000 1.012 666 S CA 0.090 58.358 58.200 0.114 0.000 1.113 666 S CB 0.031 63.322 63.200 0.151 0.000 0.827 666 S HN 0.088 nan 8.310 nan 0.000 0.495 667 T N 1.203 115.812 114.554 0.091 0.000 2.906 667 T HA 0.271 4.620 4.350 -0.001 0.000 0.295 667 T C -0.921 173.831 174.700 0.086 0.000 1.061 667 T CA -0.663 61.464 62.100 0.044 0.000 1.000 667 T CB 1.428 70.353 68.868 0.095 0.000 1.103 667 T HN 0.478 nan 8.240 nan 0.000 0.486 668 H N 3.900 122.895 119.070 -0.125 0.000 2.872 668 H HA 0.281 4.837 4.556 -0.001 0.000 0.273 668 H C -2.355 172.730 175.328 -0.406 0.000 1.205 668 H CA -2.551 53.352 56.048 -0.242 0.000 1.342 668 H CB 0.549 30.147 29.762 -0.274 0.000 1.469 668 H HN 0.164 nan 8.280 nan 0.000 0.487 669 P HA -0.013 nan 4.420 nan 0.000 0.267 669 P C -0.882 175.798 177.300 -1.034 0.000 1.205 669 P CA 0.501 63.205 63.100 -0.660 0.000 0.765 669 P CB 0.648 31.863 31.700 -0.807 0.000 0.828 670 H N 2.868 121.566 119.070 -0.621 0.000 2.658 670 H HA 0.340 4.896 4.556 -0.001 0.000 0.337 670 H C -0.473 174.654 175.328 -0.336 0.000 1.009 670 H CA -0.304 55.511 56.048 -0.388 0.000 1.231 670 H CB 0.625 30.248 29.762 -0.232 0.000 1.508 670 H HN 0.281 nan 8.280 nan 0.000 0.517 671 F N 1.906 121.984 119.950 0.214 0.000 2.421 671 F HA 0.418 4.945 4.527 -0.000 0.000 0.337 671 F C 0.309 176.277 175.800 0.279 0.000 1.105 671 F CA -0.773 57.392 58.000 0.275 0.000 1.049 671 F CB 1.588 40.826 39.000 0.396 0.000 1.139 671 F HN 0.089 nan 8.300 nan 0.000 0.479 672 V N 3.974 124.122 119.914 0.391 0.000 2.524 672 V HA 0.519 4.639 4.120 -0.001 0.000 0.297 672 V C -0.734 175.446 176.094 0.143 0.000 1.035 672 V CA -0.897 61.544 62.300 0.236 0.000 0.867 672 V CB 1.664 33.567 31.823 0.134 0.000 1.004 672 V HN 0.503 nan 8.190 nan 0.000 0.426 673 R N 2.545 123.079 120.500 0.056 0.000 2.288 673 R HA 0.554 4.894 4.340 -0.001 0.000 0.326 673 R C -0.795 175.478 176.300 -0.044 0.000 0.959 673 R CA -0.684 55.368 56.100 -0.080 0.000 0.834 673 R CB 1.129 31.235 30.300 -0.323 0.000 1.157 673 R HN 0.714 nan 8.270 nan 0.000 0.470 674 C N 4.361 123.644 119.300 -0.028 0.000 2.369 674 C HA 0.575 5.035 4.460 -0.001 0.000 0.358 674 C C 0.748 175.701 174.990 -0.061 0.000 1.274 674 C CA -0.612 58.392 59.018 -0.024 0.000 1.935 674 C CB -0.254 27.488 27.740 0.004 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.223 123.738 120.570 -0.092 0.000 2.740 675 I HA 0.518 4.688 4.170 -0.001 0.000 0.303 675 I C -0.260 175.770 176.117 -0.146 0.000 1.044 675 I CA -0.314 60.912 61.300 -0.122 0.000 1.064 675 I CB 1.475 39.379 38.000 -0.161 0.000 1.249 675 I HN 0.577 nan 8.210 nan 0.000 0.433 676 I N 7.491 127.995 120.570 -0.111 0.000 2.420 676 I HA 0.361 4.531 4.170 -0.001 0.000 0.282 676 I C -1.916 174.160 176.117 -0.068 0.000 1.019 676 I CA -2.351 58.902 61.300 -0.077 0.000 1.130 676 I CB 2.062 40.070 38.000 0.014 0.000 1.262 676 I HN 0.378 nan 8.210 nan 0.000 0.454 677 P HA -0.106 nan 4.420 nan 0.000 0.211 677 P C -0.820 176.503 177.300 0.040 0.000 1.179 677 P CA 1.303 64.347 63.100 -0.092 0.000 0.910 677 P CB -0.073 31.578 31.700 -0.081 0.000 0.785 678 N N -2.434 116.361 118.700 0.158 0.000 2.287 678 N HA 0.193 4.933 4.740 -0.001 0.000 0.289 678 N C 0.166 175.739 175.510 0.106 0.000 1.066 678 N CA -0.781 52.336 53.050 0.112 0.000 0.841 678 N CB 1.042 39.594 38.487 0.109 0.000 1.599 678 N HN -0.186 nan 8.380 nan 0.000 0.476 679 E N -0.117 120.111 120.200 0.047 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 -0.016 0.000 0.998 679 E CA 1.618 58.031 56.400 0.022 0.000 0.818 679 E CB -0.101 29.602 29.700 0.005 0.000 0.741 679 E HN 0.837 nan 8.360 nan 0.000 0.477 683 P HA 0.404 nan 4.420 nan 0.000 0.272 683 P C 1.098 178.544 177.300 0.243 0.000 1.230 683 P CA 0.650 63.985 63.100 0.392 0.000 0.788 683 P CB 0.279 32.197 31.700 0.364 0.000 0.949 684 G N -0.406 108.351 108.800 -0.072 0.000 2.187 684 G HA2 -0.055 3.905 3.960 -0.001 0.000 0.261 684 G HA3 -0.055 3.905 3.960 -0.001 0.000 0.261 684 G C 0.264 175.028 174.900 -0.226 0.000 1.000 684 G CA 0.366 45.081 45.100 -0.642 0.000 0.718 684 G HN 0.899 nan 8.290 nan 0.000 0.519 685 A N -1.240 121.711 122.820 0.219 0.000 2.430 685 A HA 0.990 5.310 4.320 -0.001 0.000 0.300 685 A C -0.447 177.324 177.584 0.312 0.000 1.124 685 A CA -0.058 52.119 52.037 0.234 0.000 0.766 685 A CB 1.861 20.942 19.000 0.135 0.000 1.328 685 A HN 1.342 nan 8.150 nan 0.000 0.424 686 M N 1.108 120.792 119.600 0.140 0.000 2.255 686 M HA 0.328 4.807 4.480 -0.001 0.000 0.275 686 M C -1.509 174.805 176.300 0.024 0.000 1.050 686 M CA 0.084 55.424 55.300 0.067 0.000 0.978 686 M CB 1.715 34.351 32.600 0.060 0.000 1.761 686 M HN 0.772 nan 8.290 nan 0.000 0.479 687 E N 3.098 123.302 120.200 0.008 0.000 2.331 687 E HA 0.202 4.552 4.350 -0.001 0.000 0.272 687 E C -0.030 176.607 176.600 0.060 0.000 1.036 687 E CA -0.350 56.030 56.400 -0.033 0.000 0.864 687 E CB 0.975 30.655 29.700 -0.033 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.944 120.969 119.070 -0.075 0.000 2.312 688 H HA -0.155 4.400 4.556 -0.001 0.000 0.299 688 H C 1.948 177.249 175.328 -0.046 0.000 1.051 688 H CA 0.982 56.976 56.048 -0.090 0.000 1.227 688 H CB 0.191 29.898 29.762 -0.092 0.000 1.389 688 H HN 0.666 nan 8.280 nan 0.000 0.524 689 E N 1.333 121.622 120.200 0.148 0.000 2.273 689 E HA -0.206 4.144 4.350 -0.001 0.000 0.198 689 E C 2.206 178.896 176.600 0.150 0.000 1.002 689 E CA 0.882 57.354 56.400 0.120 0.000 0.828 689 E CB -0.115 29.642 29.700 0.095 0.000 0.747 689 E HN 0.377 nan 8.360 nan 0.000 0.491 690 L N 0.073 121.344 121.223 0.080 0.000 2.044 690 L HA -0.130 4.210 4.340 -0.001 0.000 0.205 690 L C 2.320 179.222 176.870 0.053 0.000 1.075 690 L CA 1.066 55.934 54.840 0.046 0.000 0.747 690 L CB -0.133 41.929 42.059 0.006 0.000 0.903 690 L HN -0.033 nan 8.230 nan 0.000 0.435 691 V N 0.013 119.938 119.914 0.018 0.000 2.427 691 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 691 V C 2.554 178.633 176.094 -0.025 0.000 1.051 691 V CA 1.770 64.051 62.300 -0.032 0.000 1.048 691 V CB -0.605 31.169 31.823 -0.083 0.000 0.666 691 V HN 0.425 nan 8.190 nan 0.000 0.456 692 L N -0.731 120.491 121.223 -0.002 0.000 2.013 692 L HA -0.263 4.077 4.340 -0.001 0.000 0.212 692 L C 2.584 179.420 176.870 -0.058 0.000 1.073 692 L CA 2.004 56.827 54.840 -0.029 0.000 0.753 692 L CB -0.686 41.374 42.059 0.001 0.000 0.890 692 L HN 0.390 nan 8.230 nan 0.000 0.432 693 H N -0.094 118.949 119.070 -0.044 0.000 2.251 693 H HA -0.235 4.320 4.556 -0.001 0.000 0.294 693 H C 2.422 177.715 175.328 -0.060 0.000 1.078 693 H CA 2.227 58.248 56.048 -0.046 0.000 1.246 693 H CB -0.121 29.618 29.762 -0.039 0.000 1.358 693 H HN 0.348 nan 8.280 nan 0.000 0.488 694 Q N -0.340 119.510 119.800 0.084 0.000 2.112 694 Q HA -0.192 4.147 4.340 -0.001 0.000 0.206 694 Q C 2.260 178.216 176.000 -0.073 0.000 0.987 694 Q CA 1.499 57.301 55.803 -0.001 0.000 0.858 694 Q CB -0.353 28.369 28.738 -0.027 0.000 0.905 694 Q HN 0.320 nan 8.270 nan 0.000 0.420 695 L N 0.933 122.100 121.223 -0.093 0.000 2.127 695 L HA -0.190 4.149 4.340 -0.001 0.000 0.211 695 L C 2.401 179.191 176.870 -0.132 0.000 1.089 695 L CA 1.762 56.523 54.840 -0.132 0.000 0.757 695 L CB -0.420 41.566 42.059 -0.121 0.000 0.899 695 L HN 0.170 nan 8.230 nan 0.000 0.434 696 R N -2.086 118.342 120.500 -0.120 0.000 2.075 696 R HA -0.028 4.312 4.340 -0.001 0.000 0.226 696 R C 2.134 178.397 176.300 -0.062 0.000 1.114 696 R CA 1.496 57.532 56.100 -0.106 0.000 0.972 696 R CB -0.855 29.352 30.300 -0.155 0.000 0.869 696 R HN 0.327 nan 8.270 nan 0.000 0.437 697 C N 0.676 119.931 119.300 -0.075 0.000 2.539 697 C HA 0.104 4.564 4.460 -0.001 0.000 0.268 697 C C 1.961 176.957 174.990 0.010 0.000 1.395 697 C CA 0.031 59.022 59.018 -0.046 0.000 1.757 697 C CB -1.449 26.284 27.740 -0.013 0.000 1.851 697 C HN 0.525 nan 8.230 nan 0.000 0.545 698 N N 0.214 118.854 118.700 -0.099 0.000 2.173 698 N HA 0.104 4.844 4.740 -0.001 0.000 0.184 698 N C 1.668 176.959 175.510 -0.364 0.000 1.025 698 N CA 1.290 54.204 53.050 -0.227 0.000 0.852 698 N CB 0.026 38.301 38.487 -0.354 0.000 0.998 698 N HN 0.551 nan 8.380 nan 0.000 0.427 699 G N -0.730 107.859 108.800 -0.352 0.000 2.255 699 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.196 699 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.196 699 G C 0.853 175.601 174.900 -0.253 0.000 0.998 699 G CA 0.173 45.038 45.100 -0.391 0.000 0.656 699 G HN 0.150 nan 8.290 nan 0.000 0.490 700 V N 0.753 120.430 119.914 -0.395 0.000 2.287 700 V HA -0.112 4.007 4.120 -0.001 0.000 0.248 700 V C 2.697 178.797 176.094 0.010 0.000 1.053 700 V CA 2.318 64.533 62.300 -0.141 0.000 1.027 700 V CB -0.307 31.358 31.823 -0.263 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.668 120.515 121.223 -0.066 0.000 2.376 701 L HA -0.013 4.327 4.340 -0.001 0.000 0.219 701 L C 2.259 179.115 176.870 -0.025 0.000 1.133 701 L CA 1.536 56.348 54.840 -0.047 0.000 0.816 701 L CB -0.790 41.228 42.059 -0.068 0.000 0.933 701 L HN 0.350 nan 8.230 nan 0.000 0.449 702 E N -1.124 119.064 120.200 -0.021 0.000 2.318 702 E HA 0.008 4.357 4.350 -0.001 0.000 0.193 702 E C 1.962 178.575 176.600 0.022 0.000 0.998 702 E CA 0.693 57.085 56.400 -0.014 0.000 0.859 702 E CB 0.238 29.906 29.700 -0.054 0.000 0.812 702 E HN 0.483 nan 8.360 nan 0.000 0.492 703 G N 0.728 109.594 108.800 0.110 0.000 2.464 703 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.217 703 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.217 703 G C 1.484 176.390 174.900 0.010 0.000 1.138 703 G CA 0.039 45.222 45.100 0.139 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.328 120.904 120.570 0.011 0.000 2.286 704 I HA 0.113 4.283 4.170 -0.001 0.000 0.245 704 I C 2.696 178.774 176.117 -0.064 0.000 1.104 704 I CA 0.517 61.798 61.300 -0.030 0.000 1.397 704 I CB -0.330 37.653 38.000 -0.028 0.000 1.072 704 I HN -0.028 nan 8.210 nan 0.000 0.417 705 R N 0.439 120.903 120.500 -0.059 0.000 2.103 705 R HA -0.134 4.205 4.340 -0.001 0.000 0.234 705 R C 2.263 178.497 176.300 -0.109 0.000 1.132 705 R CA 1.842 57.903 56.100 -0.065 0.000 0.925 705 R CB -0.612 29.662 30.300 -0.044 0.000 0.842 705 R HN 0.248 nan 8.270 nan 0.000 0.430 706 I N -0.318 120.136 120.570 -0.194 0.000 2.423 706 I HA -0.383 3.786 4.170 -0.001 0.000 0.254 706 I C 2.189 178.128 176.117 -0.296 0.000 1.151 706 I CA 0.830 61.887 61.300 -0.406 0.000 1.421 706 I CB -0.223 37.373 38.000 -0.674 0.000 1.079 706 I HN 0.371 nan 8.210 nan 0.000 0.431 707 C N 0.577 119.770 119.300 -0.179 0.000 2.500 707 C HA -0.109 4.351 4.460 -0.001 0.000 0.279 707 C C 2.814 177.759 174.990 -0.075 0.000 1.288 707 C CA 0.675 59.628 59.018 -0.109 0.000 1.710 707 C CB -0.885 26.802 27.740 -0.087 0.000 2.052 707 C HN 0.515 nan 8.230 nan 0.000 0.488 708 R N 0.899 121.346 120.500 -0.090 0.000 2.369 708 R HA -0.005 4.335 4.340 -0.001 0.000 0.200 708 R C 0.363 176.608 176.300 -0.090 0.000 1.046 708 R CA 0.914 56.956 56.100 -0.097 0.000 1.057 708 R CB -0.389 29.850 30.300 -0.102 0.000 0.888 708 R HN 0.408 nan 8.270 nan 0.000 0.474 709 K N 1.110 121.476 120.400 -0.057 0.000 2.559 709 K HA 0.249 4.569 4.320 -0.001 0.000 0.236 709 K C -0.313 176.288 176.600 0.001 0.000 1.185 709 K CA 0.128 56.425 56.287 0.017 0.000 1.157 709 K CB 1.233 33.800 32.500 0.112 0.000 1.782 709 K HN 0.502 nan 8.250 nan 0.000 0.419 710 G N 0.846 109.480 108.800 -0.277 0.000 2.178 710 G HA2 -0.129 3.831 3.960 -0.001 0.000 0.147 710 G HA3 -0.129 3.831 3.960 -0.001 0.000 0.147 710 G C -1.441 172.999 174.900 -0.767 0.000 1.245 710 G CA -0.952 43.794 45.100 -0.591 0.000 1.275 710 G HN 0.209 nan 8.290 nan 0.000 0.491 711 F N 3.173 123.041 119.950 -0.136 0.000 2.363 711 F HA 0.482 5.009 4.527 -0.000 0.000 0.366 711 F C -1.297 174.522 175.800 0.032 0.000 1.083 711 F CA -1.491 56.500 58.000 -0.015 0.000 1.176 711 F CB 1.986 41.067 39.000 0.136 0.000 1.432 711 F HN 0.132 nan 8.300 nan 0.000 0.482 712 P HA -0.136 nan 4.420 nan 0.000 0.203 712 P C 0.113 177.388 177.300 -0.042 0.000 0.967 712 P CA 0.998 64.077 63.100 -0.035 0.000 0.946 712 P CB -0.260 31.377 31.700 -0.106 0.000 0.690 713 S N 1.269 116.929 115.700 -0.067 0.000 2.544 713 S HA 0.127 4.596 4.470 -0.001 0.000 0.290 713 S C 0.341 174.891 174.600 -0.084 0.000 1.276 713 S CA -0.226 57.914 58.200 -0.099 0.000 1.075 713 S CB -0.528 62.585 63.200 -0.145 0.000 0.849 713 S HN 0.179 nan 8.310 nan 0.000 0.494 714 R N 1.348 121.720 120.500 -0.215 0.000 2.473 714 R HA 0.526 4.865 4.340 -0.001 0.000 0.303 714 R C -1.673 174.472 176.300 -0.259 0.000 1.002 714 R CA -0.821 55.010 56.100 -0.448 0.000 0.884 714 R CB 0.787 30.488 30.300 -0.997 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.477 124.311 119.914 -0.134 0.000 2.465 715 V HA 0.221 4.340 4.120 -0.001 0.000 0.279 715 V C 0.369 176.360 176.094 -0.171 0.000 1.045 715 V CA -0.838 61.460 62.300 -0.003 0.000 0.938 715 V CB 1.505 33.495 31.823 0.278 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.437 125.631 121.223 -0.047 0.000 2.380 716 L HA 0.258 4.598 4.340 -0.001 0.000 0.273 716 L C 0.863 177.785 176.870 0.087 0.000 1.138 716 L CA 0.233 55.047 54.840 -0.043 0.000 0.832 716 L CB 0.579 42.666 42.059 0.046 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.306 123.680 120.300 0.122 0.000 2.062 717 Y HA -0.378 4.172 4.550 -0.000 0.000 0.276 717 Y C 2.228 178.244 175.900 0.193 0.000 1.189 717 Y CA 2.098 60.294 58.100 0.160 0.000 1.130 717 Y CB -0.864 37.658 38.460 0.103 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.162 122.827 122.820 0.281 0.000 1.898 718 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 718 A C 1.816 179.482 177.584 0.137 0.000 1.181 718 A CA 1.918 54.048 52.037 0.156 0.000 0.620 718 A CB -0.933 18.130 19.000 0.105 0.000 0.819 718 A HN 0.447 nan 8.150 nan 0.000 0.442 719 D N -1.799 118.700 120.400 0.165 0.000 2.311 719 D HA -0.096 4.544 4.640 -0.001 0.000 0.212 719 D C 1.294 177.712 176.300 0.196 0.000 0.972 719 D CA 0.987 55.073 54.000 0.144 0.000 0.887 719 D CB -0.156 40.736 40.800 0.154 0.000 0.915 719 D HN 0.521 nan 8.370 nan 0.000 0.497 720 F N 0.460 120.492 119.950 0.136 0.000 2.446 720 F HA 0.192 4.719 4.527 -0.001 0.000 0.292 720 F C 1.909 177.830 175.800 0.201 0.000 1.096 720 F CA 0.563 58.684 58.000 0.202 0.000 1.438 720 F CB 0.210 39.323 39.000 0.189 0.000 1.107 720 F HN -0.305 nan 8.300 nan 0.000 0.546 721 K N 0.407 120.902 120.400 0.158 0.000 1.963 721 K HA -0.268 4.052 4.320 -0.001 0.000 0.216 721 K C 2.169 178.699 176.600 -0.116 0.000 1.045 721 K CA 1.891 58.176 56.287 -0.004 0.000 0.954 721 K CB -0.528 31.923 32.500 -0.082 0.000 0.732 721 K HN 0.297 nan 8.250 nan 0.000 0.442 722 Q N 0.706 120.438 119.800 -0.113 0.000 2.045 722 Q HA -0.309 4.030 4.340 -0.001 0.000 0.215 722 Q C 2.056 177.941 176.000 -0.192 0.000 1.026 722 Q CA 2.296 58.025 55.803 -0.123 0.000 0.885 722 Q CB -0.226 28.459 28.738 -0.088 0.000 0.984 722 Q HN 0.176 nan 8.270 nan 0.000 0.414 723 R N -1.393 118.939 120.500 -0.281 0.000 2.152 723 R HA -0.126 4.214 4.340 -0.001 0.000 0.232 723 R C 0.926 176.740 176.300 -0.810 0.000 1.117 723 R CA 1.598 57.358 56.100 -0.568 0.000 0.981 723 R CB 0.096 29.946 30.300 -0.751 0.000 0.870 723 R HN 0.526 nan 8.270 nan 0.000 0.451 724 Y N -1.805 118.251 120.300 -0.407 0.000 2.527 724 Y HA 0.233 4.783 4.550 -0.001 0.000 0.247 724 Y C 1.820 177.577 175.900 -0.239 0.000 1.138 724 Y CA -0.511 57.352 58.100 -0.397 0.000 1.228 724 Y CB 0.124 38.180 38.460 -0.672 0.000 1.252 724 Y HN -0.141 nan 8.280 nan 0.000 0.531 725 R N 0.691 121.159 120.500 -0.054 0.000 2.134 725 R HA -0.210 4.129 4.340 -0.001 0.000 0.248 725 R C 1.579 177.907 176.300 0.046 0.000 1.143 725 R CA 2.276 58.392 56.100 0.027 0.000 0.957 725 R CB -0.602 29.734 30.300 0.059 0.000 0.867 725 R HN 0.212 nan 8.270 nan 0.000 0.441 726 V N 1.367 121.285 119.914 0.006 0.000 2.764 726 V HA -0.255 3.865 4.120 -0.001 0.000 0.261 726 V C 2.168 178.273 176.094 0.017 0.000 1.108 726 V CA 1.523 63.824 62.300 0.003 0.000 1.129 726 V CB -0.470 31.327 31.823 -0.044 0.000 0.701 726 V HN 0.334 nan 8.190 nan 0.000 0.495 727 L N -0.617 120.625 121.223 0.032 0.000 2.179 727 L HA 0.023 4.363 4.340 -0.001 0.000 0.208 727 L C 1.634 178.537 176.870 0.055 0.000 1.096 727 L CA 1.475 56.343 54.840 0.047 0.000 0.779 727 L CB -0.117 41.981 42.059 0.066 0.000 0.922 727 L HN 0.371 nan 8.230 nan 0.000 0.443 728 N N -1.288 117.452 118.700 0.065 0.000 2.595 728 N HA 0.149 4.889 4.740 -0.001 0.000 0.291 728 N C 1.103 176.658 175.510 0.075 0.000 1.706 728 N CA 0.545 53.638 53.050 0.070 0.000 0.867 728 N CB 0.689 39.226 38.487 0.084 0.000 1.414 728 N HN 0.121 nan 8.380 nan 0.000 0.492 729 A N 0.746 123.606 122.820 0.066 0.000 1.836 729 A HA -0.418 3.901 4.320 -0.001 0.000 0.269 729 A C 2.214 179.850 177.584 0.087 0.000 2.597 729 A CA 3.120 55.200 52.037 0.071 0.000 0.810 729 A CB -1.384 17.643 19.000 0.046 0.000 0.833 729 A HN 0.609 nan 8.150 nan 0.000 0.542 730 S N -0.411 115.328 115.700 0.065 0.000 2.348 730 S HA 0.097 4.567 4.470 -0.001 0.000 0.221 730 S C 2.102 176.751 174.600 0.082 0.000 1.033 730 S CA 1.845 60.078 58.200 0.056 0.000 1.010 730 S CB -0.918 62.305 63.200 0.038 0.000 0.891 730 S HN 1.508 nan 8.310 nan 0.000 0.442 731 A N 0.868 123.741 122.820 0.088 0.000 2.072 731 A HA 0.387 4.707 4.320 -0.001 0.000 0.216 731 A C 2.128 179.789 177.584 0.129 0.000 1.156 731 A CA 0.542 52.638 52.037 0.099 0.000 0.701 731 A CB -0.540 18.513 19.000 0.089 0.000 0.816 731 A HN 0.560 nan 8.150 nan 0.000 0.458 732 I N -0.015 120.639 120.570 0.140 0.000 2.585 732 I HA -0.039 4.130 4.170 -0.001 0.000 0.254 732 I C -0.735 175.502 176.117 0.201 0.000 1.129 732 I CA 0.439 61.834 61.300 0.159 0.000 1.455 732 I CB -0.747 37.334 38.000 0.135 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 1.283 179.070 177.300 0.812 0.000 1.153 733 P CA 1.464 64.939 63.100 0.624 0.000 0.844 733 P CB -0.035 31.964 31.700 0.499 0.000 0.787 734 E N -0.288 120.138 120.200 0.377 0.000 2.085 734 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 734 E C 2.357 179.116 176.600 0.265 0.000 0.994 734 E CA 1.405 57.967 56.400 0.269 0.000 0.801 734 E CB -0.954 28.821 29.700 0.126 0.000 0.743 734 E HN 0.260 nan 8.360 nan 0.000 0.453 735 G N 1.113 110.033 108.800 0.200 0.000 2.421 735 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.216 735 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.216 735 G C 1.437 176.394 174.900 0.095 0.000 1.171 735 G CA 0.645 45.823 45.100 0.129 0.000 0.775 735 G HN 0.197 nan 8.290 nan 0.000 0.543 736 Q N -0.635 119.203 119.800 0.064 0.000 2.119 736 Q HA -0.009 4.331 4.340 -0.001 0.000 0.201 736 Q C 2.312 178.194 176.000 -0.198 0.000 0.972 736 Q CA 1.051 56.785 55.803 -0.114 0.000 0.847 736 Q CB -0.191 28.360 28.738 -0.311 0.000 0.903 736 Q HN 0.598 nan 8.270 nan 0.000 0.433 737 F N -0.299 119.678 119.950 0.044 0.000 2.234 737 F HA -0.076 4.450 4.527 -0.000 0.000 0.296 737 F C 2.190 178.002 175.800 0.020 0.000 1.089 737 F CA 0.596 58.614 58.000 0.031 0.000 1.343 737 F CB -0.129 38.886 39.000 0.026 0.000 1.040 737 F HN 0.042 nan 8.300 nan 0.000 0.498 738 M N -0.725 119.001 119.600 0.211 0.000 2.254 738 M HA -0.004 4.476 4.480 -0.001 0.000 0.265 738 M C -0.277 176.054 176.300 0.051 0.000 1.066 738 M CA 1.217 56.584 55.300 0.113 0.000 1.123 738 M CB -0.874 31.784 32.600 0.097 0.000 1.388 738 M HN 0.014 nan 8.290 nan 0.000 0.425 739 D N -0.841 119.574 120.400 0.025 0.000 2.613 739 D HA 0.170 4.810 4.640 -0.001 0.000 0.230 739 D C 0.500 176.762 176.300 -0.062 0.000 1.365 739 D CA -0.005 53.981 54.000 -0.024 0.000 0.976 739 D CB 1.150 41.916 40.800 -0.056 0.000 1.415 739 D HN -0.082 nan 8.370 nan 0.000 0.589 740 S N 3.627 119.296 115.700 -0.052 0.000 2.409 740 S HA -0.297 4.172 4.470 -0.001 0.000 0.237 740 S C 1.520 176.036 174.600 -0.139 0.000 1.060 740 S CA 2.451 60.617 58.200 -0.055 0.000 1.052 740 S CB 0.041 63.235 63.200 -0.010 0.000 0.871 740 S HN 0.601 nan 8.310 nan 0.000 0.465 741 K N 0.256 120.484 120.400 -0.288 0.000 2.161 741 K HA 0.178 4.498 4.320 -0.001 0.000 0.205 741 K C 2.241 178.528 176.600 -0.522 0.000 1.035 741 K CA 0.592 56.416 56.287 -0.771 0.000 0.970 741 K CB -0.550 31.542 32.500 -0.680 0.000 0.866 741 K HN 0.167 nan 8.250 nan 0.000 0.461 742 K N 0.566 120.798 120.400 -0.280 0.000 2.228 742 K HA -0.211 4.108 4.320 -0.001 0.000 0.205 742 K C 1.825 178.376 176.600 -0.081 0.000 1.045 742 K CA 1.335 57.523 56.287 -0.164 0.000 0.931 742 K CB -0.255 32.184 32.500 -0.101 0.000 0.727 742 K HN 0.359 nan 8.250 nan 0.000 0.458 743 A N 0.754 123.540 122.820 -0.057 0.000 1.834 743 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 743 A C 2.130 179.788 177.584 0.125 0.000 1.203 743 A CA 2.275 54.335 52.037 0.039 0.000 0.621 743 A CB -1.018 17.997 19.000 0.024 0.000 0.841 743 A HN 0.417 nan 8.150 nan 0.000 0.446 744 S N 0.017 115.831 115.700 0.190 0.000 2.407 744 S HA -0.232 4.237 4.470 -0.001 0.000 0.235 744 S C 1.833 176.645 174.600 0.353 0.000 1.036 744 S CA 1.479 59.919 58.200 0.400 0.000 1.013 744 S CB -0.431 63.098 63.200 0.549 0.000 0.820 744 S HN 0.582 nan 8.310 nan 0.000 0.476 745 E N 1.245 121.586 120.200 0.234 0.000 2.001 745 E HA -0.167 4.183 4.350 -0.001 0.000 0.195 745 E C 2.178 178.882 176.600 0.173 0.000 1.002 745 E CA 1.205 57.708 56.400 0.171 0.000 0.819 745 E CB -0.258 29.354 29.700 -0.146 0.000 0.769 745 E HN 0.282 nan 8.360 nan 0.000 0.454 746 K N 0.960 121.418 120.400 0.097 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 0.161 0.000 1.048 746 K CA 1.017 57.368 56.287 0.107 0.000 0.926 746 K CB -0.594 31.955 32.500 0.080 0.000 0.714 746 K HN 0.076 nan 8.250 nan 0.000 0.448 747 L N 0.110 121.453 121.223 0.199 0.000 1.990 747 L HA -0.216 4.124 4.340 -0.001 0.000 0.213 747 L C 1.759 178.751 176.870 0.204 0.000 1.072 747 L CA 1.393 56.361 54.840 0.212 0.000 0.755 747 L CB -0.237 41.982 42.059 0.266 0.000 0.889 747 L HN 0.183 nan 8.230 nan 0.000 0.432 748 L N 0.058 121.416 121.223 0.224 0.000 2.651 748 L HA -0.151 4.188 4.340 -0.001 0.000 0.236 748 L C 2.366 179.368 176.870 0.221 0.000 1.173 748 L CA 1.056 55.974 54.840 0.130 0.000 0.843 748 L CB -1.169 40.866 42.059 -0.041 0.000 0.964 748 L HN 0.365 nan 8.230 nan 0.000 0.454 749 G N -0.386 108.566 108.800 0.254 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 0.969 176.047 174.900 0.297 0.000 1.160 749 G CA 0.723 45.985 45.100 0.270 0.000 0.767 749 G HN 0.490 nan 8.290 nan 0.000 0.571 750 G N -1.671 107.255 108.800 0.210 0.000 2.547 750 G HA2 0.619 4.579 3.960 -0.001 0.000 0.291 750 G HA3 0.619 4.579 3.960 -0.001 0.000 0.291 750 G C 0.181 175.188 174.900 0.178 0.000 1.211 750 G CA 0.207 45.417 45.100 0.183 0.000 0.950 750 G HN 1.476 nan 8.290 nan 0.000 0.504 751 G N -0.678 108.216 108.800 0.156 0.000 2.770 751 G HA2 0.164 4.124 3.960 -0.001 0.000 0.686 751 G HA3 0.164 4.124 3.960 -0.001 0.000 0.686 751 G C -0.251 174.759 174.900 0.183 0.000 1.180 751 G CA 0.213 45.391 45.100 0.130 0.000 0.767 751 G HN 1.140 nan 8.290 nan 0.000 0.646 752 D N -0.085 120.397 120.400 0.137 0.000 2.870 752 D HA 0.339 4.978 4.640 -0.001 0.000 0.241 752 D C 1.083 177.477 176.300 0.158 0.000 1.234 752 D CA 0.303 54.391 54.000 0.147 0.000 0.844 752 D CB -0.038 40.823 40.800 0.101 0.000 1.051 752 D HN 0.751 nan 8.370 nan 0.000 0.469 753 V N -1.795 118.230 119.914 0.185 0.000 2.644 753 V HA 0.291 4.410 4.120 -0.001 0.000 0.295 753 V C 0.737 176.988 176.094 0.263 0.000 1.053 753 V CA -1.126 61.262 62.300 0.147 0.000 0.987 753 V CB 1.456 33.290 31.823 0.018 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.661 122.199 120.400 0.229 0.000 2.349 754 D HA 0.056 4.695 4.640 -0.001 0.000 0.266 754 D C 0.473 176.977 176.300 0.341 0.000 1.293 754 D CA 0.224 54.379 54.000 0.257 0.000 0.926 754 D CB 0.470 41.368 40.800 0.165 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.077 120.260 119.070 0.189 0.000 2.562 755 H HA 0.011 4.566 4.556 -0.001 0.000 0.274 755 H C 1.481 176.535 175.328 -0.456 0.000 1.038 755 H CA 0.413 56.491 56.048 0.051 0.000 1.161 755 H CB 0.334 30.188 29.762 0.154 0.000 1.318 755 H HN 0.259 nan 8.280 nan 0.000 0.617 756 T N -0.214 114.255 114.554 -0.141 0.000 2.914 756 T HA -0.093 4.257 4.350 -0.001 0.000 0.240 756 T C 1.791 176.407 174.700 -0.140 0.000 1.025 756 T CA 0.252 62.267 62.100 -0.142 0.000 1.198 756 T CB 0.030 68.896 68.868 -0.004 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.211 121.041 119.800 0.050 0.000 2.480 757 Q HA -0.145 4.195 4.340 -0.001 0.000 0.217 757 Q C 0.262 176.448 176.000 0.309 0.000 0.993 757 Q CA 1.295 57.224 55.803 0.210 0.000 0.908 757 Q CB -0.871 28.008 28.738 0.235 0.000 0.927 757 Q HN 0.790 nan 8.270 nan 0.000 0.471 758 Y N -2.474 117.775 120.300 -0.086 0.000 2.686 758 Y HA 0.805 5.355 4.550 -0.001 0.000 0.330 758 Y C -0.559 174.961 175.900 -0.633 0.000 1.082 758 Y CA -2.007 55.806 58.100 -0.479 0.000 1.158 758 Y CB 1.042 38.933 38.460 -0.948 0.000 1.333 758 Y HN -0.106 nan 8.280 nan 0.000 0.519 759 A N 0.760 123.148 122.820 -0.721 0.000 2.565 759 A HA 0.645 4.965 4.320 -0.001 0.000 0.298 759 A C -2.089 175.215 177.584 -0.466 0.000 1.062 759 A CA -0.791 50.889 52.037 -0.596 0.000 0.723 759 A CB 0.144 18.715 19.000 -0.715 0.000 1.282 759 A HN 0.561 nan 8.150 nan 0.000 0.400 760 F N 0.978 120.833 119.950 -0.157 0.000 2.450 760 F HA 0.889 5.416 4.527 -0.000 0.000 0.328 760 F C 1.093 176.888 175.800 -0.007 0.000 1.068 760 F CA -0.038 57.947 58.000 -0.026 0.000 1.007 760 F CB 2.082 41.135 39.000 0.087 0.000 1.251 760 F HN 0.970 nan 8.300 nan 0.000 0.492 761 G N -1.574 107.421 108.800 0.325 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 -0.346 174.746 174.900 0.319 0.000 1.456 761 G CA -0.688 44.522 45.100 0.182 0.000 0.804 761 G HN 0.805 nan 8.290 nan 0.000 0.499 762 H N -0.784 118.388 119.070 0.171 0.000 2.456 762 H HA -0.161 4.395 4.556 -0.000 0.000 0.288 762 H C 1.171 176.636 175.328 0.228 0.000 1.130 762 H CA 1.556 57.702 56.048 0.164 0.000 1.173 762 H CB -0.238 29.575 29.762 0.086 0.000 1.350 762 H HN 0.424 nan 8.280 nan 0.000 0.498 766 F N 2.697 122.231 119.950 -0.695 0.000 2.480 766 F HA 0.906 5.432 4.527 -0.001 0.000 0.329 766 F C -0.274 175.214 175.800 -0.521 0.000 1.091 766 F CA -0.587 57.134 58.000 -0.465 0.000 0.972 766 F CB 1.707 40.439 39.000 -0.447 0.000 1.150 766 F HN 0.312 nan 8.300 nan 0.000 0.467 770 G N -0.918 107.783 108.800 -0.166 0.000 4.802 770 G HA2 0.463 4.422 3.960 -0.001 0.000 0.238 770 G HA3 0.463 4.422 3.960 -0.001 0.000 0.238 770 G C 0.546 175.362 174.900 -0.140 0.000 0.974 770 G CA 0.841 45.846 45.100 -0.159 0.000 0.798 770 G HN 0.727 nan 8.290 nan 0.000 0.301 771 L N -0.106 121.020 121.223 -0.163 0.000 2.185 771 L HA 0.449 4.788 4.340 -0.001 0.000 0.198 771 L C 2.429 179.175 176.870 -0.206 0.000 1.079 771 L CA 0.934 55.693 54.840 -0.134 0.000 0.780 771 L CB -0.230 41.780 42.059 -0.081 0.000 0.955 771 L HN 0.117 nan 8.230 nan 0.000 0.462 772 L N 0.362 121.363 121.223 -0.370 0.000 2.129 772 L HA -0.152 4.188 4.340 -0.001 0.000 0.212 772 L C 2.382 178.978 176.870 -0.458 0.000 1.087 772 L CA 2.008 56.482 54.840 -0.610 0.000 0.757 772 L CB -1.559 39.789 42.059 -1.186 0.000 0.896 772 L HN 0.423 nan 8.230 nan 0.000 0.434 773 G N -1.347 107.249 108.800 -0.339 0.000 2.418 773 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.217 773 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.217 773 G C 1.681 176.520 174.900 -0.101 0.000 1.158 773 G CA 0.766 45.765 45.100 -0.170 0.000 0.771 773 G HN 0.317 nan 8.290 nan 0.000 0.545 774 L N -0.267 120.893 121.223 -0.106 0.000 2.027 774 L HA 0.044 4.383 4.340 -0.001 0.000 0.206 774 L C 2.723 179.563 176.870 -0.050 0.000 1.074 774 L CA 0.884 55.689 54.840 -0.058 0.000 0.745 774 L CB -0.421 41.609 42.059 -0.047 0.000 0.898 774 L HN 0.097 nan 8.230 nan 0.000 0.433 775 L N -0.541 120.634 121.223 -0.079 0.000 1.951 775 L HA -0.296 4.043 4.340 -0.001 0.000 0.222 775 L C 2.603 179.451 176.870 -0.037 0.000 1.078 775 L CA 1.770 56.576 54.840 -0.058 0.000 0.778 775 L CB -1.298 40.715 42.059 -0.077 0.000 0.893 775 L HN 0.288 nan 8.230 nan 0.000 0.436 776 E N -0.376 119.795 120.200 -0.049 0.000 2.136 776 E HA -0.324 4.026 4.350 -0.001 0.000 0.208 776 E C 2.107 178.713 176.600 0.011 0.000 1.035 776 E CA 1.743 58.137 56.400 -0.009 0.000 0.838 776 E CB -0.319 29.390 29.700 0.016 0.000 0.748 776 E HN 0.660 nan 8.360 nan 0.000 0.459 777 E N 0.168 120.376 120.200 0.014 0.000 2.049 777 E HA -0.223 4.127 4.350 -0.001 0.000 0.198 777 E C 2.228 178.843 176.600 0.025 0.000 1.007 777 E CA 1.608 58.026 56.400 0.030 0.000 0.809 777 E CB -0.165 29.551 29.700 0.027 0.000 0.749 777 E HN 0.231 nan 8.360 nan 0.000 0.450 778 M N 0.244 119.851 119.600 0.013 0.000 2.108 778 M HA -0.190 4.290 4.480 -0.001 0.000 0.261 778 M C 2.715 179.023 176.300 0.013 0.000 1.066 778 M CA 1.774 57.081 55.300 0.012 0.000 1.107 778 M CB -0.384 32.220 32.600 0.007 0.000 1.356 778 M HN 0.124 nan 8.290 nan 0.000 0.406 779 R N 0.639 121.145 120.500 0.010 0.000 2.083 779 R HA -0.193 4.146 4.340 -0.001 0.000 0.237 779 R C 1.548 177.856 176.300 0.013 0.000 1.137 779 R CA 2.127 58.231 56.100 0.008 0.000 0.951 779 R CB -0.360 29.942 30.300 0.002 0.000 0.851 779 R HN 0.282 nan 8.270 nan 0.000 0.434 780 D N 0.868 121.282 120.400 0.024 0.000 2.126 780 D HA -0.138 4.502 4.640 -0.001 0.000 0.190 780 D C 0.272 176.592 176.300 0.032 0.000 1.001 780 D CA 1.291 55.315 54.000 0.039 0.000 0.841 780 D CB -0.576 40.268 40.800 0.073 0.000 0.949 780 D HN 0.280 nan 8.370 nan 0.000 0.446 784 A N 0.198 123.019 122.820 0.001 0.000 1.892 784 A HA -0.217 4.103 4.320 -0.001 0.000 0.218 784 A C 1.987 179.571 177.584 0.001 0.000 1.188 784 A CA 2.358 54.396 52.037 0.001 0.000 0.631 784 A CB -0.324 18.682 19.000 0.010 0.000 0.822 784 A HN 0.400 nan 8.150 nan 0.000 0.447 785 E N -0.040 120.162 120.200 0.003 0.000 1.983 785 E HA -0.187 4.163 4.350 -0.001 0.000 0.208 785 E C 1.793 178.392 176.600 -0.002 0.000 1.006 785 E CA 1.493 57.894 56.400 0.002 0.000 0.872 785 E CB -0.536 29.165 29.700 0.002 0.000 0.806 785 E HN 0.515 nan 8.360 nan 0.000 0.510 786 I N 0.400 120.968 120.570 -0.004 0.000 2.182 786 I HA -0.368 3.801 4.170 -0.001 0.000 0.248 786 I C 2.388 178.499 176.117 -0.011 0.000 1.073 786 I CA 1.332 62.628 61.300 -0.008 0.000 1.335 786 I CB -0.340 37.655 38.000 -0.009 0.000 1.031 786 I HN 0.247 nan 8.210 nan 0.000 0.420 787 I N -0.194 120.369 120.570 -0.011 0.000 2.188 787 I HA -0.250 3.919 4.170 -0.001 0.000 0.237 787 I C 2.515 178.626 176.117 -0.010 0.000 1.073 787 I CA 1.542 62.834 61.300 -0.014 0.000 1.359 787 I CB -0.466 37.524 38.000 -0.018 0.000 1.083 787 I HN 0.191 nan 8.210 nan 0.000 0.412 788 T N 1.199 115.749 114.554 -0.006 0.000 2.684 788 T HA -0.312 4.038 4.350 -0.001 0.000 0.267 788 T C 1.819 176.518 174.700 -0.001 0.000 1.032 788 T CA 1.885 63.984 62.100 -0.002 0.000 1.155 788 T CB -0.413 68.456 68.868 0.002 0.000 0.857 788 T HN 0.531 nan 8.240 nan 0.000 0.457 789 A N 0.558 123.376 122.820 -0.003 0.000 1.929 789 A HA -0.051 4.268 4.320 -0.001 0.000 0.216 789 A C 2.527 180.108 177.584 -0.006 0.000 1.176 789 A CA 1.809 53.844 52.037 -0.003 0.000 0.628 789 A CB -0.844 18.154 19.000 -0.004 0.000 0.816 789 A HN 0.473 nan 8.150 nan 0.000 0.444 790 T N -0.094 114.454 114.554 -0.011 0.000 3.055 790 T HA -0.057 4.293 4.350 -0.001 0.000 0.265 790 T C 1.948 176.639 174.700 -0.014 0.000 1.111 790 T CA 1.169 63.258 62.100 -0.018 0.000 1.118 790 T CB -0.091 68.762 68.868 -0.025 0.000 0.909 790 T HN 0.564 nan 8.240 nan 0.000 0.501 791 Q N 0.934 120.730 119.800 -0.006 0.000 1.969 791 Q HA 0.006 4.346 4.340 -0.001 0.000 0.198 791 Q C 2.837 178.845 176.000 0.013 0.000 0.978 791 Q CA 1.254 57.058 55.803 0.001 0.000 0.830 791 Q CB -0.438 28.302 28.738 0.002 0.000 0.896 791 Q HN 0.497 nan 8.270 nan 0.000 0.431 792 A N 1.936 124.765 122.820 0.014 0.000 1.887 792 A HA -0.391 3.929 4.320 -0.001 0.000 0.225 792 A C 2.051 179.656 177.584 0.036 0.000 1.464 792 A CA 2.696 54.746 52.037 0.022 0.000 0.717 792 A CB -0.978 18.031 19.000 0.015 0.000 0.848 792 A HN 0.319 nan 8.150 nan 0.000 0.477 793 R N -0.143 120.374 120.500 0.029 0.000 2.112 793 R HA -0.196 4.144 4.340 -0.001 0.000 0.242 793 R C 2.078 178.431 176.300 0.089 0.000 1.137 793 R CA 2.570 58.696 56.100 0.043 0.000 0.944 793 R CB -1.758 28.545 30.300 0.005 0.000 0.857 793 R HN 0.655 nan 8.270 nan 0.000 0.435 794 C N 0.344 119.672 119.300 0.047 0.000 2.359 794 C HA -0.129 4.331 4.460 -0.001 0.000 0.277 794 C C 2.626 177.723 174.990 0.179 0.000 1.192 794 C CA 1.364 60.432 59.018 0.083 0.000 1.759 794 C CB -1.113 26.642 27.740 0.025 0.000 2.038 794 C HN 0.545 nan 8.230 nan 0.000 0.448 795 R N 0.602 121.163 120.500 0.102 0.000 2.115 795 R HA -0.151 4.189 4.340 -0.001 0.000 0.239 795 R C 2.423 178.779 176.300 0.092 0.000 1.133 795 R CA 2.102 58.251 56.100 0.083 0.000 0.935 795 R CB -1.304 29.026 30.300 0.049 0.000 0.853 795 R HN 0.688 nan 8.270 nan 0.000 0.433 796 G N 1.131 109.986 108.800 0.091 0.000 2.679 796 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.217 796 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.217 796 G C 1.255 176.217 174.900 0.103 0.000 1.267 796 G CA 1.018 46.165 45.100 0.077 0.000 0.799 796 G HN 0.389 nan 8.290 nan 0.000 0.606 797 F N 0.708 120.654 119.950 -0.006 0.000 2.176 797 F HA -0.167 4.359 4.527 -0.001 0.000 0.301 797 F C 2.307 178.108 175.800 0.003 0.000 1.071 797 F CA 1.520 59.518 58.000 -0.003 0.000 1.289 797 F CB -0.216 38.782 39.000 -0.003 0.000 1.028 797 F HN 0.089 nan 8.300 nan 0.000 0.494 798 L N -0.069 121.236 121.223 0.136 0.000 2.046 798 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 798 L C 2.469 179.263 176.870 -0.128 0.000 1.077 798 L CA 1.854 56.693 54.840 -0.002 0.000 0.747 798 L CB -0.770 41.358 42.059 0.114 0.000 0.896 798 L HN 0.249 nan 8.230 nan 0.000 0.432 799 M N -1.884 117.676 119.600 -0.067 0.000 2.349 799 M HA -0.148 4.332 4.480 -0.001 0.000 0.266 799 M C 2.240 178.487 176.300 -0.088 0.000 1.076 799 M CA 0.891 56.157 55.300 -0.056 0.000 1.126 799 M CB -0.169 32.422 32.600 -0.014 0.000 1.392 799 M HN 0.145 nan 8.290 nan 0.000 0.440 800 R N -0.356 120.050 120.500 -0.155 0.000 2.200 800 R HA -0.108 4.232 4.340 -0.001 0.000 0.234 800 R C 1.678 177.866 176.300 -0.186 0.000 1.127 800 R CA 0.936 56.935 56.100 -0.167 0.000 0.989 800 R CB -0.013 30.179 30.300 -0.179 0.000 0.869 800 R HN 0.243 nan 8.270 nan 0.000 0.459 801 V N -0.240 119.502 119.914 -0.287 0.000 3.174 801 V HA -0.045 4.075 4.120 -0.001 0.000 0.254 801 V C 1.853 177.884 176.094 -0.104 0.000 1.120 801 V CA 0.878 63.035 62.300 -0.237 0.000 1.114 801 V CB 0.103 31.724 31.823 -0.336 0.000 0.756 801 V HN 0.128 nan 8.190 nan 0.000 0.467 802 E N -0.097 120.058 120.200 -0.074 0.000 2.072 802 E HA -0.169 4.180 4.350 -0.001 0.000 0.190 802 E C 1.963 178.573 176.600 0.017 0.000 0.982 802 E CA 1.153 57.536 56.400 -0.029 0.000 0.803 802 E CB -0.311 29.377 29.700 -0.021 0.000 0.755 802 E HN 0.688 nan 8.360 nan 0.000 0.453 803 Y N 1.279 121.527 120.300 -0.085 0.000 2.165 803 Y HA -0.208 4.341 4.550 -0.001 0.000 0.286 803 Y C 2.446 178.306 175.900 -0.065 0.000 1.155 803 Y CA 2.035 60.094 58.100 -0.068 0.000 1.164 803 Y CB -0.036 38.389 38.460 -0.059 0.000 0.978 803 Y HN -0.077 nan 8.280 nan 0.000 0.513 804 R N -0.322 120.239 120.500 0.102 0.000 2.200 804 R HA -0.143 4.197 4.340 -0.001 0.000 0.234 804 R C 2.124 178.400 176.300 -0.039 0.000 1.127 804 R CA 1.042 57.159 56.100 0.029 0.000 0.989 804 R CB -0.291 30.014 30.300 0.008 0.000 0.869 804 R HN 0.478 nan 8.270 nan 0.000 0.459 805 A N -0.183 122.602 122.820 -0.057 0.000 1.887 805 A HA -0.009 4.311 4.320 -0.001 0.000 0.210 805 A C 1.999 179.518 177.584 -0.110 0.000 1.221 805 A CA 0.517 52.511 52.037 -0.071 0.000 0.635 805 A CB -0.250 18.714 19.000 -0.059 0.000 0.881 805 A HN 0.177 nan 8.150 nan 0.000 0.456 806 M N -0.297 119.219 119.600 -0.140 0.000 2.088 806 M HA -0.214 4.266 4.480 -0.001 0.000 0.256 806 M C 2.113 178.272 176.300 -0.235 0.000 1.071 806 M CA 1.900 57.084 55.300 -0.194 0.000 1.097 806 M CB -0.735 31.715 32.600 -0.250 0.000 1.315 806 M HN 0.233 nan 8.290 nan 0.000 0.406 807 V N 0.214 119.952 119.914 -0.294 0.000 2.287 807 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 807 V C 2.148 178.152 176.094 -0.149 0.000 1.053 807 V CA 2.102 64.243 62.300 -0.265 0.000 1.027 807 V CB -0.694 30.942 31.823 -0.312 0.000 0.646 807 V HN 0.471 nan 8.190 nan 0.000 0.447 808 E N -0.289 119.845 120.200 -0.110 0.000 2.033 808 E HA -0.280 4.070 4.350 -0.001 0.000 0.199 808 E C 2.459 179.010 176.600 -0.082 0.000 1.011 808 E CA 1.690 58.047 56.400 -0.072 0.000 0.815 808 E CB -0.232 29.434 29.700 -0.055 0.000 0.755 808 E HN 0.458 nan 8.360 nan 0.000 0.451 809 R N 0.409 120.846 120.500 -0.105 0.000 2.154 809 R HA -0.193 4.147 4.340 -0.001 0.000 0.248 809 R C 2.368 178.566 176.300 -0.169 0.000 1.155 809 R CA 0.988 57.014 56.100 -0.123 0.000 0.979 809 R CB -0.279 29.937 30.300 -0.141 0.000 0.869 809 R HN 0.129 nan 8.270 nan 0.000 0.452 810 R N 1.161 121.546 120.500 -0.192 0.000 2.227 810 R HA -0.283 4.056 4.340 -0.001 0.000 0.246 810 R C 2.103 178.206 176.300 -0.328 0.000 1.119 810 R CA 2.598 58.541 56.100 -0.262 0.000 0.930 810 R CB -0.351 29.857 30.300 -0.153 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 -0.092 0.000 2.086 811 E HA -0.019 4.331 4.350 -0.001 0.000 0.190 811 E C 1.892 178.507 176.600 0.025 0.000 0.975 811 E CA 0.913 57.356 56.400 0.073 0.000 0.813 811 E CB -0.336 29.464 29.700 0.167 0.000 0.768 811 E HN 0.091 nan 8.360 nan 0.000 0.457 812 S N 1.029 116.713 115.700 -0.027 0.000 2.440 812 S HA -0.126 4.343 4.470 -0.001 0.000 0.240 812 S C 1.887 176.458 174.600 -0.049 0.000 1.014 812 S CA 1.097 59.284 58.200 -0.022 0.000 0.980 812 S CB -0.331 62.851 63.200 -0.031 0.000 0.775 812 S HN 0.287 nan 8.310 nan 0.000 0.499 813 I N -0.009 120.480 120.570 -0.136 0.000 2.141 813 I HA -0.147 4.023 4.170 -0.001 0.000 0.236 813 I C 1.904 177.950 176.117 -0.118 0.000 1.071 813 I CA 1.114 62.306 61.300 -0.179 0.000 1.345 813 I CB -0.577 37.231 38.000 -0.319 0.000 1.066 813 I HN 0.204 nan 8.210 nan 0.000 0.406 814 F N 1.148 121.004 119.950 -0.157 0.000 2.063 814 F HA -0.387 4.139 4.527 -0.001 0.000 0.297 814 F C 2.970 178.667 175.800 -0.171 0.000 1.099 814 F CA 1.704 59.540 58.000 -0.273 0.000 1.220 814 F CB -1.493 37.419 39.000 -0.147 0.000 0.972 814 F HN 0.301 nan 8.300 nan 0.000 0.487 815 C N 0.885 120.301 119.300 0.193 0.000 2.393 815 C HA -0.220 4.240 4.460 -0.001 0.000 0.276 815 C C 2.908 177.956 174.990 0.096 0.000 1.215 815 C CA 1.294 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 0.087 120.681 120.570 0.040 0.000 2.202 816 I HA -0.206 3.964 4.170 -0.001 0.000 0.242 816 I C 2.715 178.842 176.117 0.017 0.000 1.091 816 I CA 1.709 63.019 61.300 0.017 0.000 1.368 816 I CB -1.341 36.649 38.000 -0.017 0.000 1.058 816 I HN 0.557 nan 8.210 nan 0.000 0.410 817 Q N 0.401 120.181 119.800 -0.034 0.000 1.935 817 Q HA -0.261 4.079 4.340 -0.001 0.000 0.212 817 Q C 2.354 178.359 176.000 0.009 0.000 1.008 817 Q CA 2.406 58.160 55.803 -0.081 0.000 0.868 817 Q CB -0.368 28.240 28.738 -0.218 0.000 0.946 817 Q HN 0.372 nan 8.270 nan 0.000 0.418 818 Y N 0.943 121.306 120.300 0.105 0.000 2.081 818 Y HA -0.287 4.263 4.550 -0.001 0.000 0.280 818 Y C 2.153 178.094 175.900 0.069 0.000 1.163 818 Y CA 1.100 59.242 58.100 0.070 0.000 1.135 818 Y CB -0.913 37.575 38.460 0.045 0.000 0.970 818 Y HN 0.272 nan 8.280 nan 0.000 0.498 819 N N 0.108 118.949 118.700 0.235 0.000 2.133 819 N HA -0.196 4.544 4.740 -0.001 0.000 0.193 819 N C 1.900 177.504 175.510 0.156 0.000 1.012 819 N CA 1.760 54.908 53.050 0.163 0.000 0.871 819 N CB -0.334 38.222 38.487 0.116 0.000 1.011 819 N HN 0.208 nan 8.380 nan 0.000 0.435 820 V N 1.269 121.267 119.914 0.139 0.000 2.283 820 V HA -0.141 3.979 4.120 -0.001 0.000 0.243 820 V C 2.420 178.647 176.094 0.223 0.000 1.039 820 V CA 1.232 63.623 62.300 0.152 0.000 1.016 820 V CB -0.355 31.529 31.823 0.102 0.000 0.650 820 V HN 0.268 nan 8.190 nan 0.000 0.449 821 R N -0.154 120.453 120.500 0.178 0.000 2.134 821 R HA -0.228 4.112 4.340 -0.001 0.000 0.248 821 R C 2.593 178.981 176.300 0.146 0.000 1.143 821 R CA 1.958 58.152 56.100 0.157 0.000 0.957 821 R CB -0.706 29.690 30.300 0.161 0.000 0.867 821 R HN 0.452 nan 8.270 nan 0.000 0.441 822 S N 0.469 116.265 115.700 0.160 0.000 2.427 822 S HA -0.248 4.222 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 1.826 60.105 58.200 0.131 0.000 1.154 822 S CB -0.541 62.758 63.200 0.165 0.000 1.093 822 S HN 0.381 nan 8.310 nan 0.000 0.422 823 F N 2.038 122.038 119.950 0.084 0.000 2.085 823 F HA -0.239 4.288 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 0.101 0.000 0.983 823 F HN 0.183 nan 8.300 nan 0.000 0.482 824 M N -0.161 119.430 119.600 -0.016 0.000 2.346 824 M HA -0.213 4.267 4.480 -0.001 0.000 0.263 824 M C 1.459 177.675 176.300 -0.140 0.000 1.064 824 M CA 1.518 56.738 55.300 -0.132 0.000 1.083 824 M CB -1.101 31.529 32.600 0.050 0.000 1.399 824 M HN 0.288 nan 8.290 nan 0.000 0.435 825 N N -0.470 118.181 118.700 -0.082 0.000 2.368 825 N HA 0.045 4.784 4.740 -0.001 0.000 0.178 825 N C 0.654 176.134 175.510 -0.049 0.000 1.021 825 N CA 0.245 53.265 53.050 -0.049 0.000 0.875 825 N CB 0.349 38.805 38.487 -0.052 0.000 1.020 825 N HN -0.006 nan 8.380 nan 0.000 0.433 829 W N 5.993 127.352 121.300 0.098 0.000 2.388 829 W HA 0.297 4.957 4.660 -0.001 0.000 0.308 829 W C -1.527 175.027 176.519 0.059 0.000 1.263 829 W CA -2.302 55.093 57.345 0.084 0.000 1.286 829 W CB 0.603 30.111 29.460 0.079 0.000 1.294 829 W HN -0.031 nan 8.180 nan 0.000 0.493 830 P HA -0.318 nan 4.420 nan 0.000 0.221 830 P C 1.183 178.140 177.300 -0.571 0.000 1.160 830 P CA 2.704 65.553 63.100 -0.419 0.000 0.933 830 P CB -0.237 31.113 31.700 -0.582 0.000 0.793 831 W N -1.363 119.415 121.300 -0.869 0.000 2.342 831 W HA -0.057 4.603 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 0.086 56.903 57.345 -0.880 0.000 1.251 831 W CB -0.934 27.517 29.460 -1.682 0.000 1.136 831 W HN -0.003 nan 8.180 nan 0.000 0.526 835 F N 1.618 121.516 119.950 -0.088 0.000 2.147 835 F HA -0.105 4.422 4.527 -0.001 0.000 0.301 835 F C 1.077 176.931 175.800 0.090 0.000 1.084 835 F CA 1.093 59.066 58.000 -0.046 0.000 1.268 835 F CB -0.149 38.741 39.000 -0.183 0.000 1.009 835 F HN -0.053 nan 8.300 nan 0.000 0.486 841 L N 0.122 121.331 121.223 -0.023 0.000 2.450 841 L HA -0.077 4.262 4.340 -0.001 0.000 0.225 841 L C 0.929 177.796 176.870 -0.005 0.000 1.145 841 L CA 1.257 56.091 54.840 -0.010 0.000 0.801 841 L CB -0.950 41.108 42.059 -0.003 0.000 0.924 841 L HN 0.125 nan 8.230 nan 0.000 0.447 842 L N -0.836 120.381 121.223 -0.011 0.000 2.479 842 L HA 0.284 4.624 4.340 -0.001 0.000 0.248 842 L C 0.564 177.435 176.870 0.001 0.000 1.205 842 L CA 0.084 54.924 54.840 0.001 0.000 0.817 842 L CB 0.311 42.370 42.059 0.000 0.000 1.162 842 L HN 0.235 nan 8.230 nan 0.000 0.486 843 K N 0.000 120.406 120.400 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 56.293 56.287 0.011 0.000 0.838 843 K CB 0.000 32.506 32.500 0.009 0.000 1.064 843 K HN 0.000 nan 8.250 nan 0.000 0.543