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 1o1f_1_A 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 0.000 176.312 176.300 0.020 0.000 2.045 4 D CA 0.000 54.003 54.000 0.006 0.000 0.868 4 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 5 A N 1.338 124.167 122.820 0.016 0.000 1.865 5 A HA -0.217 4.104 4.320 0.001 0.000 0.217 5 A C 1.866 179.469 177.584 0.032 0.000 1.191 5 A CA 2.130 54.179 52.037 0.019 0.000 0.623 5 A CB -0.652 18.356 19.000 0.013 0.000 0.826 5 A HN 0.297 nan 8.150 nan 0.000 0.444 6 E N -0.221 120.003 120.200 0.041 0.000 2.021 6 E HA -0.150 4.201 4.350 0.001 0.000 0.200 6 E C 0.347 177.011 176.600 0.108 0.000 1.015 6 E CA 0.906 57.344 56.400 0.064 0.000 0.824 6 E CB -0.324 29.418 29.700 0.070 0.000 0.762 6 E HN 0.557 nan 8.360 nan 0.000 0.454 7 M N 0.085 119.770 119.600 0.143 0.000 2.390 7 M HA 0.044 4.525 4.480 0.001 0.000 0.353 7 M C 0.360 176.759 176.300 0.166 0.000 1.623 7 M CA 0.456 55.906 55.300 0.250 0.000 1.065 7 M CB 0.684 33.379 32.600 0.158 0.000 2.025 7 M HN 0.222 nan 8.290 nan 0.000 0.461 8 A N 3.038 125.955 122.820 0.161 0.000 1.429 8 A HA 0.397 4.718 4.320 0.001 0.000 0.212 8 A C 1.786 179.369 177.584 -0.001 0.000 1.863 8 A CA 0.539 52.613 52.037 0.062 0.000 1.494 8 A CB -0.923 18.086 19.000 0.015 0.000 1.413 8 A HN 0.727 nan 8.150 nan 0.000 0.338 9 A N 0.249 122.976 122.820 -0.154 0.000 1.896 9 A HA -0.087 4.234 4.320 0.001 0.000 0.220 9 A C 1.901 179.277 177.584 -0.347 0.000 1.206 9 A CA 2.315 54.125 52.037 -0.378 0.000 0.647 9 A CB -1.043 17.517 19.000 -0.733 0.000 0.828 9 A HN 0.722 nan 8.150 nan 0.000 0.455 10 F N -1.147 118.791 119.950 -0.019 0.000 2.094 10 F HA 0.292 4.820 4.527 0.001 0.000 0.291 10 F C 2.500 178.319 175.800 0.033 0.000 1.109 10 F CA 0.814 58.824 58.000 0.017 0.000 1.221 10 F CB -1.226 37.782 39.000 0.015 0.000 1.014 10 F HN 0.473 nan 8.300 nan 0.000 0.473 11 G N 0.470 109.446 108.800 0.294 0.000 3.773 11 G HA2 -0.528 3.432 3.960 0.001 0.000 0.355 11 G HA3 -0.528 3.432 3.960 0.001 0.000 0.355 11 G C 1.271 176.256 174.900 0.143 0.000 1.323 11 G CA 1.285 46.481 45.100 0.161 0.000 1.103 11 G HN 0.335 nan 8.290 nan 0.000 0.716 12 E N 1.053 121.341 120.200 0.147 0.000 2.160 12 E HA 0.207 4.558 4.350 0.001 0.000 0.195 12 E C 2.854 179.574 176.600 0.199 0.000 0.991 12 E CA 1.954 58.446 56.400 0.153 0.000 0.810 12 E CB -0.378 29.420 29.700 0.163 0.000 0.742 12 E HN 0.759 nan 8.360 nan 0.000 0.466 13 A N 0.283 123.251 122.820 0.248 0.000 2.021 13 A HA 0.166 4.486 4.320 0.001 0.000 0.216 13 A C 2.281 179.970 177.584 0.174 0.000 1.163 13 A CA 1.025 53.244 52.037 0.304 0.000 0.676 13 A CB -0.526 18.673 19.000 0.332 0.000 0.818 13 A HN 0.294 nan 8.150 nan 0.000 0.453 14 A N 1.273 124.145 122.820 0.088 0.000 1.916 14 A HA -0.239 4.081 4.320 0.001 0.000 0.224 14 A C 0.253 177.750 177.584 -0.145 0.000 1.366 14 A CA 2.467 54.460 52.037 -0.073 0.000 0.692 14 A CB -2.069 16.924 19.000 -0.012 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 0.524 177.584 177.300 -0.400 0.000 1.144 15 P CA 1.379 64.252 63.100 -0.377 0.000 0.800 15 P CB -0.255 31.118 31.700 -0.545 0.000 0.772 16 Y N -2.434 117.865 120.300 -0.002 0.000 2.462 16 Y HA 0.146 4.696 4.550 0.001 0.000 0.261 16 Y C 1.951 177.832 175.900 -0.032 0.000 1.146 16 Y CA 0.028 58.130 58.100 0.003 0.000 1.283 16 Y CB -0.317 38.138 38.460 -0.008 0.000 1.090 16 Y HN -0.167 nan 8.280 nan 0.000 0.526 17 L N -1.088 120.148 121.223 0.021 0.000 2.435 17 L HA 0.298 4.639 4.340 0.001 0.000 0.195 17 L C 0.919 177.736 176.870 -0.088 0.000 1.072 17 L CA 0.804 55.608 54.840 -0.060 0.000 0.833 17 L CB -0.204 41.711 42.059 -0.241 0.000 1.081 17 L HN -0.086 nan 8.230 nan 0.000 0.485 21 E N 1.040 121.218 120.200 -0.037 0.000 2.516 21 E HA -0.136 4.215 4.350 0.001 0.000 0.206 21 E C 1.176 177.753 176.600 -0.040 0.000 1.107 21 E CA 1.528 57.904 56.400 -0.039 0.000 0.903 21 E CB -0.174 29.505 29.700 -0.035 0.000 0.838 21 E HN 0.629 nan 8.360 nan 0.000 0.574 22 K N -2.184 118.195 120.400 -0.036 0.000 2.474 22 K HA 0.170 4.491 4.320 0.001 0.000 0.204 22 K C 1.562 178.141 176.600 -0.034 0.000 1.220 22 K CA -0.129 56.138 56.287 -0.034 0.000 0.966 22 K CB 0.108 32.591 32.500 -0.028 0.000 1.049 22 K HN -0.109 nan 8.250 nan 0.000 0.554 23 E N 1.356 121.536 120.200 -0.033 0.000 2.153 23 E HA -0.070 4.281 4.350 0.001 0.000 0.194 23 E C 1.829 178.408 176.600 -0.035 0.000 0.988 23 E CA 1.122 57.503 56.400 -0.030 0.000 0.811 23 E CB 0.138 29.820 29.700 -0.031 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 4.272 4.340 0.001 0.000 0.227 24 R C 2.466 178.732 176.300 -0.057 0.000 1.147 24 R CA 1.261 57.331 56.100 -0.051 0.000 0.924 24 R CB -0.458 29.808 30.300 -0.057 0.000 0.827 24 R HN 0.192 nan 8.270 nan 0.000 0.431 25 I N 1.382 121.917 120.570 -0.058 0.000 2.185 25 I HA -0.307 3.863 4.170 0.001 0.000 0.246 25 I C 1.846 177.932 176.117 -0.051 0.000 1.088 25 I CA 1.635 62.899 61.300 -0.060 0.000 1.347 25 I CB -0.510 37.458 38.000 -0.053 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.398 120.574 120.200 -0.041 0.000 2.418 26 E HA -0.088 4.263 4.350 0.001 0.000 0.197 26 E C 2.048 178.629 176.600 -0.032 0.000 1.026 26 E CA 0.881 57.262 56.400 -0.032 0.000 0.862 26 E CB 0.056 29.742 29.700 -0.024 0.000 0.799 26 E HN 0.541 nan 8.360 nan 0.000 0.518 27 A N 0.707 123.503 122.820 -0.041 0.000 1.973 27 A HA -0.040 4.281 4.320 0.001 0.000 0.210 27 A C 1.946 179.491 177.584 -0.064 0.000 1.200 27 A CA 0.182 52.194 52.037 -0.042 0.000 0.707 27 A CB 0.099 19.076 19.000 -0.037 0.000 0.862 27 A HN 0.054 nan 8.150 nan 0.000 0.461 28 Q N 0.328 120.078 119.800 -0.085 0.000 2.187 28 Q HA 0.032 4.373 4.340 0.001 0.000 0.199 28 Q C 0.082 176.015 176.000 -0.112 0.000 0.957 28 Q CA 0.485 56.214 55.803 -0.124 0.000 0.857 28 Q CB -0.038 28.612 28.738 -0.146 0.000 0.929 28 Q HN 0.562 nan 8.270 nan 0.000 0.453 32 F N 1.156 121.082 119.950 -0.040 0.000 2.574 32 F HA 0.381 4.909 4.527 0.001 0.000 0.313 32 F C -1.034 174.741 175.800 -0.041 0.000 1.130 32 F CA -0.521 57.452 58.000 -0.046 0.000 0.936 32 F CB 2.174 41.146 39.000 -0.047 0.000 1.219 32 F HN 0.178 nan 8.300 nan 0.000 0.445 33 D N 5.078 125.062 120.400 -0.692 0.000 2.479 33 D HA 0.470 5.111 4.640 0.001 0.000 0.247 33 D C 0.175 176.125 176.300 -0.584 0.000 1.119 33 D CA 0.144 53.869 54.000 -0.458 0.000 0.922 33 D CB 1.332 41.956 40.800 -0.293 0.000 1.014 33 D HN 0.757 nan 8.370 nan 0.000 0.510 37 S N 2.013 117.534 115.700 -0.299 0.000 2.533 37 S HA 0.698 5.169 4.470 0.001 0.000 0.282 37 S C -0.196 174.262 174.600 -0.237 0.000 1.304 37 S CA -0.330 57.672 58.200 -0.330 0.000 1.063 37 S CB 1.458 64.327 63.200 -0.551 0.000 0.881 37 S HN 0.620 nan 8.310 nan 0.000 0.493 38 V N 1.957 121.723 119.914 -0.247 0.000 3.258 38 V HA 0.511 4.632 4.120 0.001 0.000 0.299 38 V C -1.458 174.445 176.094 -0.318 0.000 1.376 38 V CA -0.915 61.254 62.300 -0.217 0.000 1.063 38 V CB 2.069 33.843 31.823 -0.082 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.191 121.126 119.950 -0.025 0.000 2.425 39 F HA 0.856 5.384 4.527 0.001 0.000 0.331 39 F C 0.145 176.051 175.800 0.178 0.000 1.085 39 F CA -0.545 57.439 58.000 -0.026 0.000 1.028 39 F CB 1.883 40.766 39.000 -0.195 0.000 1.177 39 F HN 0.231 nan 8.300 nan 0.000 0.487 40 V N 2.431 122.660 119.914 0.525 0.000 3.178 40 V HA 0.488 4.609 4.120 0.001 0.000 0.302 40 V C -0.963 175.496 176.094 0.609 0.000 1.262 40 V CA -0.923 61.680 62.300 0.506 0.000 1.030 40 V CB 2.578 34.558 31.823 0.261 0.000 1.074 40 V HN 0.486 nan 8.190 nan 0.000 0.438 41 V N 3.810 124.009 119.914 0.474 0.000 3.139 41 V HA 0.342 4.463 4.120 0.001 0.000 0.307 41 V C -0.330 175.888 176.094 0.208 0.000 1.095 41 V CA 0.387 62.823 62.300 0.226 0.000 1.160 41 V CB 1.016 32.935 31.823 0.160 0.000 1.003 41 V HN 0.999 nan 8.190 nan 0.000 0.489 42 H N 5.148 124.193 119.070 -0.042 0.000 3.188 42 H HA 0.301 4.858 4.556 0.001 0.000 0.325 42 H C -2.402 172.912 175.328 -0.023 0.000 1.033 42 H CA -1.584 54.469 56.048 0.009 0.000 1.443 42 H CB 2.193 32.000 29.762 0.075 0.000 1.968 42 H HN 0.303 nan 8.280 nan 0.000 0.449 43 P HA -0.181 nan 4.420 nan 0.000 0.217 43 P C 1.027 178.462 177.300 0.226 0.000 1.158 43 P CA 1.610 64.808 63.100 0.164 0.000 0.887 43 P CB 0.767 32.492 31.700 0.042 0.000 0.792 44 K N -1.149 119.501 120.400 0.417 0.000 2.056 44 K HA 0.053 4.374 4.320 0.001 0.000 0.205 44 K C 1.238 177.812 176.600 -0.043 0.000 1.035 44 K CA 0.744 57.124 56.287 0.156 0.000 0.955 44 K CB -0.243 32.360 32.500 0.172 0.000 0.769 44 K HN 0.096 nan 8.250 nan 0.000 0.447 45 Q N 0.122 119.684 119.800 -0.396 0.000 2.261 45 Q HA 0.151 4.491 4.340 0.001 0.000 0.252 45 Q C 0.663 176.573 176.000 -0.150 0.000 0.915 45 Q CA -0.216 55.392 55.803 -0.325 0.000 0.915 45 Q CB 1.798 30.294 28.738 -0.403 0.000 1.204 45 Q HN 0.147 nan 8.270 nan 0.000 0.421 46 S N 1.986 117.698 115.700 0.020 0.000 2.389 46 S HA -0.144 4.327 4.470 0.001 0.000 0.229 46 S C -0.170 174.268 174.600 -0.270 0.000 1.048 46 S CA 1.513 59.657 58.200 -0.092 0.000 1.117 46 S CB 0.059 63.242 63.200 -0.027 0.000 1.020 46 S HN 0.469 nan 8.310 nan 0.000 0.430 47 F N -1.014 119.034 119.950 0.163 0.000 2.607 47 F HA 0.578 5.106 4.527 0.002 0.000 0.322 47 F C -0.179 175.833 175.800 0.354 0.000 1.176 47 F CA -0.698 57.431 58.000 0.215 0.000 0.977 47 F CB 1.497 40.559 39.000 0.103 0.000 1.242 47 F HN -0.077 nan 8.300 nan 0.000 0.465 51 T N 1.328 115.836 114.554 -0.076 0.000 2.797 51 T HA 0.507 4.858 4.350 0.001 0.000 0.279 51 T C 0.188 174.847 174.700 -0.068 0.000 0.991 51 T CA -0.430 61.614 62.100 -0.094 0.000 0.979 51 T CB 1.212 70.025 68.868 -0.092 0.000 0.943 51 T HN 0.416 nan 8.240 nan 0.000 0.444 52 I N 3.844 124.369 120.570 -0.075 0.000 2.533 52 I HA 0.119 4.290 4.170 0.001 0.000 0.284 52 I C 1.358 177.446 176.117 -0.049 0.000 1.109 52 I CA 0.057 61.325 61.300 -0.054 0.000 1.412 52 I CB 0.430 38.398 38.000 -0.054 0.000 1.396 52 I HN 0.686 nan 8.210 nan 0.000 0.543 53 Q N 4.039 123.817 119.800 -0.037 0.000 2.240 53 Q HA 0.125 4.466 4.340 0.001 0.000 0.194 53 Q C 0.584 176.566 176.000 -0.029 0.000 0.982 53 Q CA 0.805 56.589 55.803 -0.032 0.000 0.842 53 Q CB 0.089 28.811 28.738 -0.026 0.000 0.941 53 Q HN 0.814 nan 8.270 nan 0.000 0.516 57 G N 0.607 109.400 108.800 -0.011 0.000 2.245 57 G HA2 -0.273 3.688 3.960 0.001 0.000 0.264 57 G HA3 -0.273 3.688 3.960 0.001 0.000 0.264 57 G C 0.517 175.411 174.900 -0.010 0.000 0.985 57 G CA 0.503 45.597 45.100 -0.009 0.000 0.625 57 G HN 0.818 nan 8.290 nan 0.000 0.536 61 T N 2.254 116.797 114.554 -0.018 0.000 2.771 61 T HA 0.879 5.230 4.350 0.001 0.000 0.281 61 T C -0.390 174.299 174.700 -0.017 0.000 0.982 61 T CA -0.685 61.405 62.100 -0.017 0.000 0.978 61 T CB 1.867 70.724 68.868 -0.017 0.000 0.930 61 T HN 0.531 nan 8.240 nan 0.000 0.447 65 E N 0.572 120.807 120.200 0.058 0.000 2.267 65 E HA 0.496 4.847 4.350 0.001 0.000 0.241 65 E C 0.490 177.132 176.600 0.070 0.000 0.950 65 E CA 0.038 56.468 56.400 0.050 0.000 0.776 65 E CB 0.348 30.076 29.700 0.046 0.000 1.207 65 E HN 0.945 nan 8.360 nan 0.000 0.436 66 G N 1.829 110.662 108.800 0.056 0.000 3.259 66 G HA2 -0.037 3.924 3.960 0.001 0.000 0.217 66 G HA3 -0.037 3.924 3.960 0.001 0.000 0.217 66 G C 0.423 175.350 174.900 0.046 0.000 0.993 66 G CA -0.169 44.964 45.100 0.056 0.000 0.836 66 G HN 0.802 nan 8.290 nan 0.000 0.514 67 G N -0.182 108.645 108.800 0.045 0.000 3.055 67 G HA2 0.439 4.399 3.960 0.001 0.000 0.654 67 G HA3 0.439 4.399 3.960 0.001 0.000 0.654 67 G C -0.704 174.218 174.900 0.036 0.000 1.134 67 G CA 0.823 45.942 45.100 0.032 0.000 1.049 67 G HN 1.306 nan 8.290 nan 0.000 0.458 68 E N 0.299 120.519 120.200 0.032 0.000 2.388 68 E HA 0.735 5.085 4.350 0.001 0.000 0.281 68 E C -0.387 176.218 176.600 0.009 0.000 1.046 68 E CA -0.373 56.042 56.400 0.024 0.000 0.825 68 E CB 1.525 31.250 29.700 0.042 0.000 1.243 68 E HN 0.753 nan 8.360 nan 0.000 0.438 69 T N 1.504 116.054 114.554 -0.008 0.000 2.841 69 T HA 0.712 5.063 4.350 0.001 0.000 0.285 69 T C -0.844 173.839 174.700 -0.028 0.000 0.991 69 T CA -0.661 61.431 62.100 -0.013 0.000 0.966 69 T CB 0.891 69.752 68.868 -0.011 0.000 0.962 69 T HN 0.301 nan 8.240 nan 0.000 0.438 70 L N 2.155 123.360 121.223 -0.029 0.000 2.422 70 L HA 0.625 4.966 4.340 0.001 0.000 0.264 70 L C -0.323 176.532 176.870 -0.025 0.000 0.984 70 L CA -0.474 54.341 54.840 -0.040 0.000 0.819 70 L CB 2.791 44.812 42.059 -0.063 0.000 1.330 70 L HN 0.776 nan 8.230 nan 0.000 0.410 71 T N 2.420 116.959 114.554 -0.025 0.000 2.853 71 T HA 0.560 4.911 4.350 0.001 0.000 0.317 71 T C -0.525 174.164 174.700 -0.017 0.000 1.059 71 T CA -0.320 61.769 62.100 -0.019 0.000 0.954 71 T CB 1.035 69.893 68.868 -0.017 0.000 0.994 71 T HN 0.193 nan 8.240 nan 0.000 0.479 72 V N 3.357 123.263 119.914 -0.013 0.000 2.864 72 V HA 0.446 4.567 4.120 0.001 0.000 0.314 72 V C 0.439 176.523 176.094 -0.017 0.000 1.073 72 V CA -1.161 61.133 62.300 -0.009 0.000 0.956 72 V CB 2.321 34.147 31.823 0.004 0.000 1.023 72 V HN 0.737 nan 8.190 nan 0.000 0.435 73 K N 1.493 121.883 120.400 -0.016 0.000 2.414 73 K HA -0.133 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 1.184 57.456 56.287 -0.025 0.000 0.884 73 K CB 0.112 32.601 32.500 -0.017 0.000 0.959 73 K HN 0.779 nan 8.250 nan 0.000 0.531 74 E N 0.286 120.457 120.200 -0.049 0.000 2.107 74 E HA -0.138 4.212 4.350 0.001 0.000 0.191 74 E C 0.107 176.633 176.600 -0.124 0.000 0.982 74 E CA 1.302 57.662 56.400 -0.067 0.000 0.809 74 E CB 0.173 29.846 29.700 -0.045 0.000 0.756 74 E HN 0.499 nan 8.360 nan 0.000 0.459 75 D N -0.646 119.683 120.400 -0.118 0.000 2.706 75 D HA 0.067 4.708 4.640 0.001 0.000 0.236 75 D C 0.433 176.567 176.300 -0.277 0.000 1.231 75 D CA 0.007 53.888 54.000 -0.200 0.000 0.828 75 D CB 0.350 41.076 40.800 -0.124 0.000 1.015 75 D HN 0.002 nan 8.370 nan 0.000 0.484 76 Q N -0.692 118.951 119.800 -0.262 0.000 2.189 76 Q HA 0.268 4.609 4.340 0.001 0.000 0.223 76 Q C -0.784 175.089 176.000 -0.212 0.000 0.828 76 Q CA 0.023 55.753 55.803 -0.122 0.000 0.967 76 Q CB 1.316 30.058 28.738 0.007 0.000 1.139 76 Q HN 0.048 nan 8.270 nan 0.000 0.497 77 V N 1.545 121.169 119.914 -0.484 0.000 2.417 77 V HA 0.502 4.623 4.120 0.001 0.000 0.291 77 V C -1.135 174.601 176.094 -0.597 0.000 1.024 77 V CA -0.483 61.613 62.300 -0.339 0.000 0.861 77 V CB 1.093 32.827 31.823 -0.149 0.000 0.985 77 V HN 0.101 nan 8.190 nan 0.000 0.436 78 F N 1.813 121.835 119.950 0.119 0.000 2.547 78 F HA 0.508 5.036 4.527 0.001 0.000 0.316 78 F C 0.738 176.626 175.800 0.146 0.000 1.121 78 F CA -0.587 57.501 58.000 0.147 0.000 0.911 78 F CB 1.841 40.765 39.000 -0.127 0.000 1.179 78 F HN 0.353 nan 8.300 nan 0.000 0.443 79 S N 2.493 118.482 115.700 0.482 0.000 2.589 79 S HA 0.262 4.733 4.470 0.001 0.000 0.256 79 S C -0.315 174.392 174.600 0.178 0.000 1.383 79 S CA -0.138 58.218 58.200 0.261 0.000 0.983 79 S CB 0.337 63.681 63.200 0.240 0.000 0.908 79 S HN 0.694 nan 8.310 nan 0.000 0.572 80 M N 2.135 121.691 119.600 -0.072 0.000 2.263 80 M HA 0.316 4.797 4.480 0.001 0.000 0.295 80 M C -1.070 175.186 176.300 -0.073 0.000 1.028 80 M CA -0.554 54.684 55.300 -0.103 0.000 0.921 80 M CB 1.051 33.467 32.600 -0.308 0.000 1.601 80 M HN 0.507 nan 8.290 nan 0.000 0.440 81 N N 5.718 124.383 118.700 -0.058 0.000 2.454 81 N HA 0.212 4.953 4.740 0.001 0.000 0.254 81 N C -2.501 172.820 175.510 -0.315 0.000 1.228 81 N CA -0.519 52.491 53.050 -0.066 0.000 0.900 81 N CB 0.311 38.856 38.487 0.097 0.000 1.089 81 N HN 0.460 nan 8.380 nan 0.000 0.449 82 P HA 0.113 nan 4.420 nan 0.000 0.269 82 P C -2.354 174.562 177.300 -0.640 0.000 1.217 82 P CA -0.708 61.887 63.100 -0.841 0.000 0.783 82 P CB -0.466 31.024 31.700 -0.350 0.000 0.898 89 E N 2.055 122.323 120.200 0.113 0.000 2.118 89 E HA -0.182 4.169 4.350 0.001 0.000 0.195 89 E C 0.171 176.909 176.600 0.231 0.000 0.992 89 E CA 1.245 57.733 56.400 0.146 0.000 0.804 89 E CB 0.304 30.111 29.700 0.178 0.000 0.741 89 E HN 0.381 nan 8.360 nan 0.000 0.458 90 D N -0.790 119.735 120.400 0.209 0.000 2.420 90 D HA 0.125 4.766 4.640 0.001 0.000 0.255 90 D C 0.642 177.006 176.300 0.106 0.000 1.185 90 D CA -0.170 53.950 54.000 0.199 0.000 0.904 90 D CB 0.679 41.571 40.800 0.152 0.000 1.102 90 D HN -0.041 nan 8.370 nan 0.000 0.534 91 M N 1.483 121.138 119.600 0.091 0.000 2.337 91 M HA -0.142 4.338 4.480 0.001 0.000 0.261 91 M C 1.736 178.029 176.300 -0.012 0.000 1.067 91 M CA 1.178 56.499 55.300 0.035 0.000 1.074 91 M CB -0.117 32.502 32.600 0.031 0.000 1.395 91 M HN 0.359 nan 8.290 nan 0.000 0.431 92 A N -0.496 122.323 122.820 -0.000 0.000 2.255 92 A HA 0.092 4.413 4.320 0.001 0.000 0.206 92 A C 1.887 179.421 177.584 -0.083 0.000 1.193 92 A CA 0.641 52.648 52.037 -0.050 0.000 0.794 92 A CB -0.587 18.382 19.000 -0.053 0.000 0.794 92 A HN 0.526 nan 8.150 nan 0.000 0.481 93 M N -1.420 118.143 119.600 -0.063 0.000 2.367 93 M HA 0.284 4.765 4.480 0.001 0.000 0.256 93 M C 0.312 176.508 176.300 -0.175 0.000 1.091 93 M CA 0.002 55.266 55.300 -0.060 0.000 1.049 93 M CB 0.078 32.700 32.600 0.036 0.000 1.406 93 M HN 0.372 nan 8.290 nan 0.000 0.498 94 M N -0.308 119.124 119.600 -0.279 0.000 2.252 94 M HA -0.095 4.386 4.480 0.001 0.000 0.321 94 M C 1.279 177.298 176.300 -0.468 0.000 1.070 94 M CA 0.788 55.732 55.300 -0.594 0.000 1.143 94 M CB 0.391 32.788 32.600 -0.338 0.000 1.498 94 M HN -0.088 nan 8.290 nan 0.000 0.445 95 T N -0.035 114.185 114.554 -0.557 0.000 3.122 95 T HA 0.133 4.484 4.350 0.001 0.000 0.250 95 T C -0.664 173.865 174.700 -0.284 0.000 1.067 95 T CA 0.278 62.215 62.100 -0.271 0.000 0.966 95 T CB -0.280 68.526 68.868 -0.103 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.869 119.769 119.070 -0.284 0.000 2.854 96 H HA 0.396 4.953 4.556 0.001 0.000 0.275 96 H C -1.229 173.900 175.328 -0.331 0.000 1.198 96 H CA -0.698 55.177 56.048 -0.289 0.000 1.489 96 H CB 0.564 30.228 29.762 -0.164 0.000 1.519 96 H HN 0.051 nan 8.280 nan 0.000 0.503 97 L N 4.040 125.099 121.223 -0.273 0.000 2.358 97 L HA 0.251 4.592 4.340 0.001 0.000 0.274 97 L C 0.105 176.838 176.870 -0.229 0.000 1.136 97 L CA 0.096 54.815 54.840 -0.202 0.000 0.970 97 L CB -1.299 40.665 42.059 -0.159 0.000 1.314 97 L HN 0.717 nan 8.230 nan 0.000 0.427 98 H N -0.718 118.295 119.070 -0.096 0.000 2.896 98 H HA 0.318 4.875 4.556 0.001 0.000 0.318 98 H C 0.556 175.699 175.328 -0.309 0.000 1.409 98 H CA -0.655 55.275 56.048 -0.196 0.000 1.328 98 H CB 1.818 31.387 29.762 -0.321 0.000 1.940 98 H HN 0.390 nan 8.280 nan 0.000 0.665 99 E N 0.226 120.247 120.200 -0.297 0.000 2.042 99 E HA -0.023 4.328 4.350 0.001 0.000 0.189 99 E C -1.033 175.184 176.600 -0.638 0.000 0.974 99 E CA 0.263 56.411 56.400 -0.420 0.000 0.806 99 E CB -0.554 28.910 29.700 -0.392 0.000 0.769 99 E HN 0.415 nan 8.360 nan 0.000 0.451 100 P HA -0.134 nan 4.420 nan 0.000 0.215 100 P C 0.997 177.737 177.300 -0.934 0.000 1.157 100 P CA 1.859 64.177 63.100 -1.304 0.000 0.863 100 P CB -0.110 30.456 31.700 -1.891 0.000 0.787 101 A N -0.633 121.741 122.820 -0.745 0.000 2.032 101 A HA -0.155 4.166 4.320 0.001 0.000 0.221 101 A C 2.320 179.817 177.584 -0.144 0.000 1.165 101 A CA 1.754 53.627 52.037 -0.274 0.000 0.645 101 A CB -1.684 17.439 19.000 0.205 0.000 0.807 101 A HN 0.091 nan 8.150 nan 0.000 0.453 102 V N -0.565 119.236 119.914 -0.188 0.000 2.446 102 V HA -0.133 3.988 4.120 0.001 0.000 0.244 102 V C 2.390 178.388 176.094 -0.159 0.000 1.039 102 V CA 1.552 63.775 62.300 -0.129 0.000 1.045 102 V CB -0.481 31.270 31.823 -0.119 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.094 120.980 121.223 -0.247 0.000 1.994 103 L HA -0.166 4.175 4.340 0.001 0.000 0.208 103 L C 2.281 178.960 176.870 -0.318 0.000 1.071 103 L CA 2.225 56.879 54.840 -0.309 0.000 0.745 103 L CB -1.146 40.668 42.059 -0.408 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.043 120.159 120.300 -0.308 0.000 2.256 104 Y HA -0.247 4.304 4.550 0.001 0.000 0.288 104 Y C 2.662 178.525 175.900 -0.063 0.000 1.155 104 Y CA 2.013 60.006 58.100 -0.178 0.000 1.203 104 Y CB -0.624 37.727 38.460 -0.182 0.000 0.980 104 Y HN 0.475 nan 8.280 nan 0.000 0.530 105 N N -0.441 118.293 118.700 0.055 0.000 2.216 105 N HA -0.093 4.648 4.740 0.001 0.000 0.183 105 N C 0.482 176.003 175.510 0.018 0.000 1.017 105 N CA 0.241 53.324 53.050 0.055 0.000 0.861 105 N CB -0.150 38.365 38.487 0.047 0.000 0.986 105 N HN -0.023 nan 8.380 nan 0.000 0.428 109 R N 0.502 121.022 120.500 0.034 0.000 2.319 109 R HA 0.112 4.453 4.340 0.001 0.000 0.204 109 R C 1.511 177.835 176.300 0.040 0.000 0.954 109 R CA 0.718 56.832 56.100 0.024 0.000 1.066 109 R CB -0.132 30.185 30.300 0.028 0.000 0.991 109 R HN 0.152 nan 8.270 nan 0.000 0.486 110 Y N 0.913 121.132 120.300 -0.135 0.000 2.464 110 Y HA 0.371 4.922 4.550 0.001 0.000 0.288 110 Y C 2.271 177.941 175.900 -0.384 0.000 1.133 110 Y CA 0.191 58.177 58.100 -0.190 0.000 1.223 110 Y CB -0.121 38.244 38.460 -0.158 0.000 1.187 110 Y HN 0.056 nan 8.280 nan 0.000 0.539 111 A N 0.255 122.833 122.820 -0.403 0.000 2.178 111 A HA 0.134 4.455 4.320 0.001 0.000 0.218 111 A C 1.912 179.075 177.584 -0.701 0.000 1.157 111 A CA 1.402 53.068 52.037 -0.618 0.000 0.689 111 A CB -1.082 17.746 19.000 -0.287 0.000 0.787 111 A HN 0.515 nan 8.150 nan 0.000 0.465 112 A N -3.310 119.255 122.820 -0.424 0.000 2.430 112 A HA 0.417 4.738 4.320 0.001 0.000 0.243 112 A C 0.357 177.953 177.584 0.020 0.000 1.254 112 A CA -0.188 51.736 52.037 -0.190 0.000 0.914 112 A CB -0.430 18.530 19.000 -0.066 0.000 0.998 112 A HN 0.712 nan 8.150 nan 0.000 0.515 113 W N -1.478 119.783 121.300 -0.066 0.000 4.301 113 W HA -0.170 4.491 4.660 0.001 0.000 0.360 113 W C -0.555 175.998 176.519 0.057 0.000 1.371 113 W CA 0.772 58.106 57.345 -0.018 0.000 0.781 113 W CB -2.344 27.181 29.460 0.109 0.000 2.488 113 W HN 0.403 nan 8.180 nan 0.000 1.350 114 M N 0.892 120.579 119.600 0.145 0.000 2.066 114 M HA 0.275 4.755 4.480 0.001 0.000 0.340 114 M C 1.521 177.837 176.300 0.027 0.000 1.053 114 M CA -0.183 55.171 55.300 0.090 0.000 0.983 114 M CB 0.664 33.297 32.600 0.056 0.000 1.520 114 M HN 0.102 nan 8.290 nan 0.000 0.428 115 I N -0.766 119.719 120.570 -0.141 0.000 3.226 115 I HA 0.112 4.283 4.170 0.001 0.000 0.277 115 I C -0.519 175.282 176.117 -0.526 0.000 1.243 115 I CA 0.532 61.629 61.300 -0.339 0.000 1.459 115 I CB 0.126 37.816 38.000 -0.516 0.000 1.093 115 I HN 0.387 nan 8.210 nan 0.000 0.453 116 Y N 2.140 122.409 120.300 -0.050 0.000 2.402 116 Y HA 0.547 5.098 4.550 0.001 0.000 0.332 116 Y C 0.318 176.111 175.900 -0.179 0.000 0.960 116 Y CA -1.180 56.844 58.100 -0.127 0.000 1.228 116 Y CB 1.230 39.587 38.460 -0.171 0.000 1.120 116 Y HN -0.050 nan 8.280 nan 0.000 0.491 117 T N 3.188 117.738 114.554 -0.007 0.000 2.848 117 T HA 0.589 4.939 4.350 0.001 0.000 0.285 117 T C -1.114 173.566 174.700 -0.034 0.000 0.995 117 T CA -0.551 61.516 62.100 -0.055 0.000 0.970 117 T CB 0.418 69.283 68.868 -0.004 0.000 0.976 117 T HN 0.297 nan 8.240 nan 0.000 0.441 118 Y N 2.222 122.592 120.300 0.117 0.000 2.307 118 Y HA 0.557 5.107 4.550 0.001 0.000 0.324 118 Y C 1.292 177.259 175.900 0.112 0.000 1.238 118 Y CA -0.784 57.392 58.100 0.125 0.000 1.280 118 Y CB 1.676 40.201 38.460 0.109 0.000 1.248 118 Y HN 0.649 nan 8.280 nan 0.000 0.508 119 S N 1.254 117.161 115.700 0.346 0.000 2.327 119 S HA 0.553 5.024 4.470 0.001 0.000 0.203 119 S C 0.328 175.045 174.600 0.195 0.000 1.326 119 S CA 0.266 58.614 58.200 0.246 0.000 1.248 119 S CB -0.940 62.403 63.200 0.239 0.000 1.199 119 S HN 1.248 nan 8.310 nan 0.000 0.422 120 G N 2.035 110.890 108.800 0.091 0.000 3.110 120 G HA2 -0.194 3.766 3.960 0.001 0.000 0.238 120 G HA3 -0.194 3.766 3.960 0.001 0.000 0.238 120 G C 0.262 175.115 174.900 -0.079 0.000 1.647 120 G CA 0.081 45.155 45.100 -0.044 0.000 1.146 120 G HN 0.534 nan 8.290 nan 0.000 0.545 121 L N 1.115 122.225 121.223 -0.189 0.000 2.515 121 L HA 0.478 4.818 4.340 0.001 0.000 0.223 121 L C 1.079 177.999 176.870 0.082 0.000 1.079 121 L CA -0.150 54.643 54.840 -0.078 0.000 0.857 121 L CB -0.035 41.999 42.059 -0.041 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.814 119.268 119.950 0.220 0.000 2.535 122 F HA 0.036 4.564 4.527 0.001 0.000 0.332 122 F C 0.720 176.696 175.800 0.293 0.000 1.208 122 F CA -0.921 57.204 58.000 0.209 0.000 1.330 122 F CB 0.168 39.217 39.000 0.082 0.000 1.167 122 F HN -0.206 nan 8.300 nan 0.000 0.597 123 C N 3.880 123.478 119.300 0.497 0.000 2.814 123 C HA 0.652 5.113 4.460 0.001 0.000 0.269 123 C C -0.542 174.570 174.990 0.202 0.000 1.090 123 C CA -0.688 58.536 59.018 0.344 0.000 1.492 123 C CB -1.463 26.428 27.740 0.252 0.000 1.825 123 C HN 0.495 nan 8.230 nan 0.000 0.442 124 V N 4.985 124.996 119.914 0.162 0.000 2.763 124 V HA 0.337 4.458 4.120 0.001 0.000 0.306 124 V C 0.803 176.953 176.094 0.093 0.000 1.059 124 V CA 0.793 63.132 62.300 0.066 0.000 1.138 124 V CB 1.274 33.106 31.823 0.016 0.000 0.940 124 V HN 0.851 nan 8.190 nan 0.000 0.489 125 T N 3.488 118.065 114.554 0.039 0.000 3.011 125 T HA 0.514 4.865 4.350 0.001 0.000 0.303 125 T C -0.691 173.939 174.700 -0.116 0.000 0.997 125 T CA -0.357 61.760 62.100 0.027 0.000 1.007 125 T CB 1.522 70.481 68.868 0.152 0.000 1.017 125 T HN 0.457 nan 8.240 nan 0.000 0.443 126 V N 3.671 123.454 119.914 -0.218 0.000 2.459 126 V HA 0.445 4.566 4.120 0.001 0.000 0.295 126 V C 0.577 176.512 176.094 -0.265 0.000 1.029 126 V CA -1.218 60.901 62.300 -0.302 0.000 0.874 126 V CB 1.549 33.076 31.823 -0.493 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.545 124.044 118.700 -0.334 0.000 2.417 127 N HA 0.055 4.796 4.740 0.001 0.000 0.272 127 N C -1.442 173.816 175.510 -0.419 0.000 1.304 127 N CA -1.071 51.703 53.050 -0.460 0.000 0.906 127 N CB 1.203 39.227 38.487 -0.771 0.000 1.135 127 N HN 0.487 nan 8.380 nan 0.000 0.483 128 P HA -0.099 nan 4.420 nan 0.000 0.215 128 P C -0.537 176.809 177.300 0.076 0.000 1.157 128 P CA 1.025 64.127 63.100 0.002 0.000 0.863 128 P CB 0.094 31.753 31.700 -0.068 0.000 0.787 132 L N 5.510 125.974 121.223 -1.265 0.000 2.445 132 L HA 0.547 4.888 4.340 0.001 0.000 0.262 132 L C -1.746 174.073 176.870 -1.753 0.000 0.974 132 L CA -1.842 52.246 54.840 -1.253 0.000 0.822 132 L CB 2.697 44.267 42.059 -0.814 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 1.047 178.306 177.300 -0.069 0.000 1.319 133 P CA 0.308 63.156 63.100 -0.421 0.000 0.785 133 P CB 0.200 31.949 31.700 0.082 0.000 1.252 134 V N -1.478 118.407 119.914 -0.048 0.000 2.719 134 V HA -0.162 3.959 4.120 0.001 0.000 0.252 134 V C 1.522 177.932 176.094 0.527 0.000 1.065 134 V CA 1.512 63.988 62.300 0.294 0.000 1.086 134 V CB -1.279 30.740 31.823 0.327 0.000 0.700 134 V HN 0.077 nan 8.190 nan 0.000 0.467 135 Y N -0.133 120.267 120.300 0.167 0.000 2.471 135 Y HA 0.231 4.782 4.550 0.001 0.000 0.286 135 Y C 1.172 177.232 175.900 0.267 0.000 1.188 135 Y CA -1.160 57.145 58.100 0.341 0.000 1.286 135 Y CB -1.344 37.248 38.460 0.220 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.248 122.156 118.700 0.347 0.000 2.359 136 N HA -0.044 4.697 4.740 0.001 0.000 0.261 136 N C -2.308 173.287 175.510 0.141 0.000 1.267 136 N CA -0.923 52.273 53.050 0.244 0.000 0.864 136 N CB 0.635 39.255 38.487 0.223 0.000 1.063 136 N HN 0.039 nan 8.380 nan 0.000 0.474 140 V N 1.105 120.837 119.914 -0.302 0.000 2.277 140 V HA -0.352 3.768 4.120 0.001 0.000 0.255 140 V C 2.310 178.311 176.094 -0.154 0.000 1.074 140 V CA 3.122 65.191 62.300 -0.385 0.000 1.058 140 V CB -0.508 31.126 31.823 -0.314 0.000 0.656 140 V HN 0.485 nan 8.190 nan 0.000 0.449 141 L N -0.171 120.959 121.223 -0.155 0.000 2.044 141 L HA -0.019 4.322 4.340 0.001 0.000 0.205 141 L C 2.627 179.414 176.870 -0.139 0.000 1.075 141 L CA 2.051 56.811 54.840 -0.135 0.000 0.747 141 L CB -1.207 40.765 42.059 -0.144 0.000 0.903 141 L HN 0.262 nan 8.230 nan 0.000 0.435 142 A N -1.085 121.589 122.820 -0.244 0.000 1.917 142 A HA -0.268 4.053 4.320 0.001 0.000 0.219 142 A C 2.066 179.495 177.584 -0.258 0.000 1.182 142 A CA 1.846 53.631 52.037 -0.421 0.000 0.633 142 A CB -1.067 17.364 19.000 -0.950 0.000 0.819 142 A HN 0.457 nan 8.150 nan 0.000 0.448 143 Y N -1.024 119.254 120.300 -0.036 0.000 2.529 143 Y HA 0.176 4.727 4.550 0.001 0.000 0.290 143 Y C 1.036 176.975 175.900 0.064 0.000 1.177 143 Y CA 0.281 58.420 58.100 0.066 0.000 1.305 143 Y CB -0.052 38.459 38.460 0.085 0.000 1.047 143 Y HN 0.153 nan 8.280 nan 0.000 0.522 144 R N 0.774 121.356 120.500 0.137 0.000 2.242 144 R HA 0.376 4.717 4.340 0.001 0.000 0.334 144 R C 0.769 177.107 176.300 0.063 0.000 1.071 144 R CA 0.102 56.261 56.100 0.097 0.000 0.922 144 R CB -0.382 29.923 30.300 0.008 0.000 1.023 144 R HN 0.395 nan 8.270 nan 0.000 0.458 145 G N 2.757 111.610 108.800 0.088 0.000 2.132 145 G HA2 -0.252 3.709 3.960 0.001 0.000 0.234 145 G HA3 -0.252 3.709 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 0.090 45.225 45.100 0.058 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.163 121.612 120.400 0.082 0.000 2.265 146 K HA 0.536 4.856 4.320 0.001 0.000 0.267 146 K C 0.640 177.299 176.600 0.099 0.000 0.994 146 K CA -0.744 55.598 56.287 0.092 0.000 0.860 146 K CB 0.871 33.455 32.500 0.139 0.000 1.099 146 K HN 0.090 nan 8.250 nan 0.000 0.448 147 K N 1.810 122.244 120.400 0.058 0.000 2.336 147 K HA 0.011 4.331 4.320 0.001 0.000 0.262 147 K C 0.973 177.643 176.600 0.117 0.000 0.992 147 K CA 0.012 56.329 56.287 0.051 0.000 0.927 147 K CB 0.309 32.825 32.500 0.027 0.000 0.956 147 K HN 0.638 nan 8.250 nan 0.000 0.495 148 R N 0.474 121.043 120.500 0.115 0.000 2.369 148 R HA -0.098 4.242 4.340 0.001 0.000 0.200 148 R C 0.498 176.896 176.300 0.162 0.000 1.046 148 R CA 1.089 57.288 56.100 0.165 0.000 1.057 148 R CB -0.124 30.222 30.300 0.077 0.000 0.888 148 R HN 0.484 nan 8.270 nan 0.000 0.474 149 Q N 0.471 120.344 119.800 0.121 0.000 2.352 149 Q HA 0.093 4.434 4.340 0.001 0.000 0.212 149 Q C 0.813 176.878 176.000 0.108 0.000 0.888 149 Q CA 0.421 56.291 55.803 0.112 0.000 0.934 149 Q CB 0.706 29.498 28.738 0.090 0.000 1.093 149 Q HN 0.505 nan 8.270 nan 0.000 0.523 150 E N 0.277 120.545 120.200 0.113 0.000 2.478 150 E HA 0.243 4.594 4.350 0.001 0.000 0.194 150 E C -0.121 176.550 176.600 0.118 0.000 1.045 150 E CA 0.168 56.626 56.400 0.097 0.000 0.868 150 E CB 0.646 30.395 29.700 0.082 0.000 0.885 150 E HN 0.221 nan 8.360 nan 0.000 0.505 151 A N 1.676 124.601 122.820 0.173 0.000 2.587 151 A HA 0.525 4.846 4.320 0.001 0.000 0.293 151 A C -2.785 174.960 177.584 0.269 0.000 1.087 151 A CA -1.559 50.594 52.037 0.193 0.000 0.692 151 A CB 1.143 20.266 19.000 0.206 0.000 1.291 151 A HN -0.184 nan 8.150 nan 0.000 0.407 152 P HA 0.357 nan 4.420 nan 0.000 0.272 152 P C -2.754 174.697 177.300 0.252 0.000 1.240 152 P CA -1.399 61.800 63.100 0.165 0.000 0.791 152 P CB -0.642 31.056 31.700 -0.004 0.000 0.978 153 P HA 0.035 nan 4.420 nan 0.000 0.258 153 P C -0.417 176.809 177.300 -0.123 0.000 1.187 153 P CA 1.189 64.081 63.100 -0.348 0.000 0.767 153 P CB -0.247 31.081 31.700 -0.620 0.000 0.770 154 H N 1.610 120.408 119.070 -0.455 0.000 3.094 154 H HA 0.208 4.764 4.556 0.001 0.000 0.335 154 H C 0.709 175.498 175.328 -0.897 0.000 1.254 154 H CA -0.776 54.761 56.048 -0.853 0.000 1.240 154 H CB 1.364 30.652 29.762 -0.789 0.000 1.936 154 H HN 0.125 nan 8.280 nan 0.000 0.536 155 I N 2.467 122.310 120.570 -1.211 0.000 2.361 155 I HA -0.261 3.909 4.170 0.001 0.000 0.251 155 I C 1.187 176.619 176.117 -1.140 0.000 1.133 155 I CA 1.299 61.961 61.300 -1.063 0.000 1.413 155 I CB -0.048 37.269 38.000 -1.138 0.000 1.073 155 I HN 0.496 nan 8.210 nan 0.000 0.424 156 F N -0.518 118.572 119.950 -1.432 0.000 2.502 156 F HA -0.127 4.400 4.527 0.002 0.000 0.298 156 F C 2.699 177.951 175.800 -0.914 0.000 1.111 156 F CA 0.713 57.916 58.000 -1.328 0.000 1.445 156 F CB -0.776 37.456 39.000 -1.280 0.000 1.081 156 F HN -0.051 nan 8.300 nan 0.000 0.558 157 S N 0.374 115.672 115.700 -0.670 0.000 2.355 157 S HA -0.148 4.323 4.470 0.001 0.000 0.222 157 S C 2.155 176.668 174.600 -0.146 0.000 1.031 157 S CA 1.095 59.157 58.200 -0.230 0.000 0.993 157 S CB -0.371 62.843 63.200 0.023 0.000 0.859 157 S HN 0.212 nan 8.310 nan 0.000 0.453 158 I N 1.504 121.956 120.570 -0.196 0.000 2.142 158 I HA -0.173 3.997 4.170 0.001 0.000 0.240 158 I C 2.666 178.662 176.117 -0.201 0.000 1.078 158 I CA 1.658 62.872 61.300 -0.143 0.000 1.343 158 I CB -0.464 37.475 38.000 -0.101 0.000 1.046 158 I HN 0.404 nan 8.210 nan 0.000 0.405 159 S N -0.820 114.699 115.700 -0.301 0.000 2.442 159 S HA -0.238 4.233 4.470 0.001 0.000 0.236 159 S C 1.903 176.410 174.600 -0.154 0.000 1.007 159 S CA 1.678 59.703 58.200 -0.291 0.000 0.965 159 S CB -0.395 62.400 63.200 -0.676 0.000 0.773 159 S HN 0.540 nan 8.310 nan 0.000 0.504 160 D N 0.745 121.065 120.400 -0.132 0.000 2.259 160 D HA 0.020 4.661 4.640 0.001 0.000 0.216 160 D C 1.766 178.159 176.300 0.156 0.000 0.961 160 D CA 0.383 54.453 54.000 0.116 0.000 0.878 160 D CB -0.288 40.602 40.800 0.150 0.000 1.009 160 D HN 0.419 nan 8.370 nan 0.000 0.490 161 N N 0.878 119.612 118.700 0.056 0.000 2.149 161 N HA -0.152 4.589 4.740 0.001 0.000 0.188 161 N C 1.854 177.485 175.510 0.201 0.000 1.019 161 N CA 0.997 54.083 53.050 0.060 0.000 0.857 161 N CB 0.041 38.579 38.487 0.084 0.000 0.997 161 N HN 0.156 nan 8.380 nan 0.000 0.426 162 A N 0.958 123.815 122.820 0.061 0.000 1.865 162 A HA -0.229 4.091 4.320 0.001 0.000 0.217 162 A C 2.098 179.825 177.584 0.238 0.000 1.191 162 A CA 1.286 53.361 52.037 0.064 0.000 0.623 162 A CB -1.210 17.839 19.000 0.082 0.000 0.826 162 A HN 0.378 nan 8.150 nan 0.000 0.444 163 Y N 0.542 120.933 120.300 0.153 0.000 2.081 163 Y HA -0.307 4.244 4.550 0.001 0.000 0.280 163 Y C 2.656 178.564 175.900 0.014 0.000 1.163 163 Y CA 2.292 60.429 58.100 0.061 0.000 1.135 163 Y CB -0.672 37.880 38.460 0.153 0.000 0.970 163 Y HN 0.473 nan 8.280 nan 0.000 0.498 164 Q N -1.158 118.701 119.800 0.099 0.000 1.927 164 Q HA -0.255 4.085 4.340 0.001 0.000 0.210 164 Q C 2.180 178.134 176.000 -0.077 0.000 1.001 164 Q CA 2.131 57.892 55.803 -0.069 0.000 0.862 164 Q CB -0.701 27.941 28.738 -0.160 0.000 0.934 164 Q HN 0.434 nan 8.270 nan 0.000 0.420 165 F N 0.725 120.662 119.950 -0.020 0.000 2.141 165 F HA -0.323 4.205 4.527 0.001 0.000 0.300 165 F C 2.375 178.122 175.800 -0.088 0.000 1.079 165 F CA 1.473 59.480 58.000 0.012 0.000 1.264 165 F CB -0.547 38.529 39.000 0.127 0.000 1.011 165 F HN 0.246 nan 8.300 nan 0.000 0.487 166 M N -0.321 119.313 119.600 0.057 0.000 2.059 166 M HA -0.234 4.247 4.480 0.001 0.000 0.259 166 M C 2.085 178.152 176.300 -0.388 0.000 1.072 166 M CA 2.042 57.220 55.300 -0.203 0.000 1.117 166 M CB -0.452 31.991 32.600 -0.262 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.844 120.160 121.223 -0.365 0.000 2.156 167 L HA -0.109 4.232 4.340 0.001 0.000 0.208 167 L C 2.300 179.063 176.870 -0.178 0.000 1.095 167 L CA 1.257 55.915 54.840 -0.302 0.000 0.770 167 L CB -1.359 40.544 42.059 -0.260 0.000 0.914 167 L HN 0.273 nan 8.230 nan 0.000 0.439 168 T N -0.305 114.181 114.554 -0.113 0.000 2.701 168 T HA -0.130 4.221 4.350 0.001 0.000 0.263 168 T C 1.301 175.989 174.700 -0.020 0.000 1.040 168 T CA 1.727 63.798 62.100 -0.048 0.000 1.147 168 T CB -0.217 68.634 68.868 -0.028 0.000 0.865 168 T HN 0.366 nan 8.240 nan 0.000 0.426 169 D N 0.331 120.737 120.400 0.010 0.000 2.348 169 D HA 0.097 4.738 4.640 0.001 0.000 0.211 169 D C 0.621 176.870 176.300 -0.086 0.000 0.998 169 D CA 0.071 54.070 54.000 -0.001 0.000 0.873 169 D CB -0.064 40.771 40.800 0.057 0.000 0.925 169 D HN 0.251 nan 8.370 nan 0.000 0.524 170 R N 0.481 120.853 120.500 -0.215 0.000 3.531 170 R HA -0.154 4.187 4.340 0.001 0.000 0.280 170 R C -0.619 175.528 176.300 -0.254 0.000 1.130 170 R CA 0.664 56.563 56.100 -0.334 0.000 0.757 170 R CB -2.293 27.957 30.300 -0.084 0.000 1.218 170 R HN 0.414 nan 8.270 nan 0.000 0.454 171 E N 0.541 120.585 120.200 -0.260 0.000 2.299 171 E HA 0.360 4.710 4.350 0.001 0.000 0.265 171 E C -0.166 176.326 176.600 -0.180 0.000 0.911 171 E CA -1.064 55.251 56.400 -0.141 0.000 0.789 171 E CB 1.283 30.933 29.700 -0.083 0.000 1.246 171 E HN 0.110 nan 8.360 nan 0.000 0.427 172 N N 1.488 120.095 118.700 -0.155 0.000 2.445 172 N HA 0.183 4.924 4.740 0.001 0.000 0.264 172 N C -0.366 175.006 175.510 -0.229 0.000 1.227 172 N CA -0.326 52.535 53.050 -0.315 0.000 0.963 172 N CB 0.976 39.002 38.487 -0.767 0.000 1.188 172 N HN 0.339 nan 8.380 nan 0.000 0.491 173 Q N -0.399 119.240 119.800 -0.268 0.000 2.495 173 Q HA 0.619 4.960 4.340 0.001 0.000 0.283 173 Q C -1.055 174.916 176.000 -0.047 0.000 1.097 173 Q CA -0.680 55.076 55.803 -0.078 0.000 0.836 173 Q CB 1.864 30.610 28.738 0.014 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.637 115.091 115.700 0.046 0.000 2.565 174 S HA 0.803 5.273 4.470 0.001 0.000 0.269 174 S C -1.403 173.247 174.600 0.085 0.000 1.153 174 S CA -0.728 57.533 58.200 0.103 0.000 0.835 174 S CB 0.786 64.069 63.200 0.138 0.000 1.122 174 S HN 0.425 nan 8.310 nan 0.000 0.462 175 I N 1.407 122.051 120.570 0.123 0.000 2.512 175 I HA 0.396 4.566 4.170 0.001 0.000 0.287 175 I C -1.667 174.522 176.117 0.120 0.000 1.069 175 I CA -0.489 60.876 61.300 0.109 0.000 1.056 175 I CB 1.852 39.940 38.000 0.146 0.000 1.229 175 I HN 0.547 nan 8.210 nan 0.000 0.429 176 L N 7.801 129.072 121.223 0.080 0.000 2.277 176 L HA 0.515 4.856 4.340 0.001 0.000 0.284 176 L C -0.400 176.579 176.870 0.183 0.000 1.028 176 L CA -0.046 54.883 54.840 0.148 0.000 0.835 176 L CB 0.722 42.881 42.059 0.167 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.364 123.027 120.570 0.154 0.000 2.353 177 I HA 0.584 4.755 4.170 0.001 0.000 0.293 177 I C 0.419 176.601 176.117 0.109 0.000 0.992 177 I CA 0.304 61.678 61.300 0.124 0.000 1.268 177 I CB 1.626 39.688 38.000 0.103 0.000 1.387 177 I HN 0.509 nan 8.210 nan 0.000 0.478 178 T N 3.484 118.086 114.554 0.080 0.000 3.012 178 T HA 0.768 5.119 4.350 0.001 0.000 0.330 178 T C -0.642 174.072 174.700 0.024 0.000 1.321 178 T CA -0.649 61.488 62.100 0.061 0.000 1.067 178 T CB 1.797 70.708 68.868 0.072 0.000 1.235 178 T HN 0.943 nan 8.240 nan 0.000 0.479 179 G N 1.567 110.384 108.800 0.027 0.000 2.356 179 G HA2 0.506 4.467 3.960 0.001 0.000 0.294 179 G HA3 0.506 4.467 3.960 0.001 0.000 0.294 179 G C -1.555 173.362 174.900 0.028 0.000 1.423 179 G CA -0.870 44.236 45.100 0.011 0.000 0.806 179 G HN 0.690 nan 8.290 nan 0.000 0.527 180 E N 0.209 120.424 120.200 0.025 0.000 2.391 180 E HA 0.285 4.636 4.350 0.001 0.000 0.255 180 E C 1.203 177.833 176.600 0.051 0.000 1.187 180 E CA 0.111 56.537 56.400 0.043 0.000 0.941 180 E CB 1.126 30.853 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 2.414 181 S HA -0.217 4.254 4.470 0.001 0.000 0.241 181 S C 1.589 176.225 174.600 0.059 0.000 1.079 181 S CA 1.976 60.214 58.200 0.063 0.000 1.087 181 S CB -0.477 62.766 63.200 0.071 0.000 0.927 181 S HN 0.700 nan 8.310 nan 0.000 0.456 182 G N -0.972 107.868 108.800 0.066 0.000 3.126 182 G HA2 0.456 4.417 3.960 0.001 0.000 0.224 182 G HA3 0.456 4.417 3.960 0.001 0.000 0.224 182 G C 1.240 176.188 174.900 0.079 0.000 1.142 182 G CA 0.587 45.739 45.100 0.088 0.000 0.759 182 G HN 0.571 nan 8.290 nan 0.000 0.550 183 A N 0.332 123.176 122.820 0.041 0.000 2.070 183 A HA 0.381 4.702 4.320 0.001 0.000 0.220 183 A C 1.932 179.516 177.584 -0.001 0.000 1.159 183 A CA 1.493 53.532 52.037 0.003 0.000 0.656 183 A CB -0.536 18.459 19.000 -0.008 0.000 0.800 183 A HN 1.629 nan 8.150 nan 0.000 0.453 184 G N -0.562 108.256 108.800 0.031 0.000 2.452 184 G HA2 -0.225 3.736 3.960 0.001 0.000 0.275 184 G HA3 -0.225 3.736 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 4.338 4.320 0.001 0.000 0.203 185 K C 2.560 179.197 176.600 0.062 0.000 1.048 185 K CA 1.482 57.800 56.287 0.051 0.000 0.954 185 K CB -0.450 32.078 32.500 0.047 0.000 0.737 185 K HN 0.311 nan 8.250 nan 0.000 0.444 186 T N 2.152 116.738 114.554 0.053 0.000 2.649 186 T HA -0.194 4.157 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 2.021 64.159 62.100 0.064 0.000 1.157 186 T CB -0.899 68.004 68.868 0.058 0.000 0.861 186 T HN 0.027 nan 8.240 nan 0.000 0.445 187 V N 2.686 122.655 119.914 0.092 0.000 2.282 187 V HA -0.260 3.860 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 1.897 64.265 62.300 0.114 0.000 1.032 187 V CB -0.814 31.068 31.823 0.098 0.000 0.645 187 V HN 0.446 nan 8.190 nan 0.000 0.447 188 N N 0.241 119.009 118.700 0.114 0.000 2.106 188 N HA -0.066 4.675 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 1.405 54.504 53.050 0.081 0.000 0.848 188 N CB -0.606 37.912 38.487 0.052 0.000 1.007 188 N HN 0.571 nan 8.380 nan 0.000 0.423 192 V N 1.738 121.649 119.914 -0.005 0.000 2.379 192 V HA -0.172 3.949 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 1.910 64.190 62.300 -0.033 0.000 1.036 192 V CB -0.336 31.500 31.823 0.023 0.000 0.664 192 V HN 0.249 nan 8.190 nan 0.000 0.453 193 I N 0.122 120.823 120.570 0.218 0.000 2.163 193 I HA -0.283 3.888 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 1.665 63.138 61.300 0.289 0.000 1.347 193 I CB -0.934 37.191 38.000 0.209 0.000 1.044 193 I HN 0.441 nan 8.210 nan 0.000 0.408 194 Q N 0.091 120.011 119.800 0.200 0.000 2.077 194 Q HA -0.288 4.053 4.340 0.001 0.000 0.206 194 Q C 2.214 178.303 176.000 0.149 0.000 0.989 194 Q CA 2.009 57.916 55.803 0.172 0.000 0.853 194 Q CB -0.940 27.909 28.738 0.185 0.000 0.907 194 Q HN 0.523 nan 8.270 nan 0.000 0.418 195 Y N 0.827 121.146 120.300 0.031 0.000 2.069 195 Y HA -0.306 4.245 4.550 0.001 0.000 0.278 195 Y C 2.061 177.841 175.900 -0.199 0.000 1.175 195 Y CA 1.716 59.757 58.100 -0.098 0.000 1.134 195 Y CB -0.531 37.809 38.460 -0.201 0.000 0.965 195 Y HN -0.024 nan 8.280 nan 0.000 0.498 196 F N -0.492 119.574 119.950 0.194 0.000 2.069 196 F HA -0.216 4.312 4.527 0.001 0.000 0.298 196 F C 2.632 178.467 175.800 0.058 0.000 1.113 196 F CA 1.435 59.519 58.000 0.139 0.000 1.214 196 F CB -1.432 37.800 39.000 0.386 0.000 0.978 196 F HN 0.127 nan 8.300 nan 0.000 0.474 197 A N 0.114 123.080 122.820 0.243 0.000 1.883 197 A HA -0.237 4.083 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 2.762 54.882 52.037 0.139 0.000 0.624 197 A CB -1.479 17.586 19.000 0.108 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.716 115.238 114.554 -0.053 0.000 2.588 198 T HA -0.187 4.164 4.350 0.001 0.000 0.261 198 T C 1.823 176.410 174.700 -0.189 0.000 1.069 198 T CA 1.432 63.456 62.100 -0.126 0.000 1.172 198 T CB -0.971 67.789 68.868 -0.180 0.000 0.863 198 T HN 0.809 nan 8.240 nan 0.000 0.408 199 I N 0.222 120.564 120.570 -0.380 0.000 3.233 199 I HA 0.286 4.456 4.170 0.001 0.000 0.287 199 I C 0.881 176.837 176.117 -0.269 0.000 1.329 199 I CA 0.900 61.955 61.300 -0.408 0.000 1.385 199 I CB -0.835 36.751 38.000 -0.689 0.000 1.053 199 I HN 0.346 nan 8.210 nan 0.000 0.525 200 A N 0.318 123.074 122.820 -0.106 0.000 3.318 200 A HA 0.754 5.075 4.320 0.001 0.000 0.209 200 A C 0.154 177.825 177.584 0.144 0.000 1.102 200 A CA 0.059 52.124 52.037 0.047 0.000 1.128 200 A CB -0.621 18.428 19.000 0.081 0.000 1.310 200 A HN 0.497 nan 8.150 nan 0.000 0.726 201 A N 0.204 123.069 122.820 0.075 0.000 3.804 201 A HA 0.937 5.258 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 0.453 52.535 52.037 0.075 0.000 1.542 201 A CB -0.226 18.800 19.000 0.043 0.000 1.611 201 A HN 2.184 nan 8.150 nan 0.000 0.626 202 S N -2.370 113.354 115.700 0.040 0.000 3.956 202 S HA 0.043 4.514 4.470 0.001 0.000 0.685 202 S C 0.451 175.070 174.600 0.033 0.000 0.569 202 S CA 0.940 59.160 58.200 0.034 0.000 1.348 202 S CB -1.692 61.535 63.200 0.044 0.000 0.726 202 S HN 2.285 nan 8.310 nan 0.000 0.895 203 G N 1.147 109.961 108.800 0.024 0.000 3.042 203 G HA2 0.468 4.429 3.960 0.001 0.000 0.212 203 G HA3 0.468 4.429 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 0.664 45.775 45.100 0.018 0.000 0.767 203 G HN 1.041 nan 8.290 nan 0.000 0.546 204 E N -0.551 119.658 120.200 0.015 0.000 4.277 204 E HA -0.373 3.978 4.350 0.001 0.000 0.189 204 E C 1.766 178.372 176.600 0.009 0.000 1.264 204 E CA 2.003 58.410 56.400 0.012 0.000 2.321 204 E CB -0.955 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 1.025 121.430 120.400 0.007 0.000 2.116 205 K HA 0.007 4.328 4.320 0.001 0.000 0.203 205 K C 1.864 178.467 176.600 0.006 0.000 1.052 205 K CA 1.153 57.443 56.287 0.005 0.000 0.952 205 K CB -0.088 32.414 32.500 0.003 0.000 0.729 205 K HN 0.129 nan 8.250 nan 0.000 0.446 206 K N 1.053 121.457 120.400 0.006 0.000 2.439 206 K HA -0.038 4.283 4.320 0.001 0.000 0.197 206 K C 1.526 178.132 176.600 0.009 0.000 1.041 206 K CA 0.697 56.988 56.287 0.007 0.000 0.970 206 K CB 0.139 32.643 32.500 0.006 0.000 0.773 206 K HN 0.094 nan 8.250 nan 0.000 0.479 207 K N 1.227 121.633 120.400 0.009 0.000 2.288 207 K HA -0.040 4.280 4.320 0.001 0.000 0.201 207 K C 0.219 176.824 176.600 0.009 0.000 1.048 207 K CA 0.611 56.904 56.287 0.009 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 1.521 121.725 120.200 0.008 0.000 2.404 208 E HA -0.022 4.328 4.350 0.001 0.000 0.261 208 E C -0.543 176.063 176.600 0.009 0.000 1.074 208 E CA 0.041 56.445 56.400 0.007 0.000 0.917 208 E CB 0.499 30.203 29.700 0.006 0.000 0.965 208 E HN 0.123 nan 8.360 nan 0.000 0.433 209 E N 2.126 122.331 120.200 0.008 0.000 2.148 209 E HA -0.011 4.340 4.350 0.001 0.000 0.308 209 E C -0.704 175.901 176.600 0.009 0.000 1.278 209 E CA 0.181 56.587 56.400 0.009 0.000 1.368 209 E CB -0.052 29.653 29.700 0.009 0.000 1.229 209 E HN 0.254 nan 8.360 nan 0.000 0.494 210 Q N 0.662 120.467 119.800 0.009 0.000 3.147 210 Q HA 0.092 4.433 4.340 0.001 0.000 0.224 210 Q C -0.466 175.540 176.000 0.010 0.000 0.901 210 Q CA -0.421 55.388 55.803 0.009 0.000 0.729 210 Q CB 1.499 30.241 28.738 0.007 0.000 1.363 210 Q HN 0.502 nan 8.270 nan 0.000 0.467 211 S N -1.276 114.431 115.700 0.012 0.000 3.635 211 S HA -0.193 4.278 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 0.361 58.570 58.200 0.014 0.000 0.942 211 S CB -2.227 60.981 63.200 0.013 0.000 0.930 211 S HN 0.844 nan 8.310 nan 0.000 0.512 212 G N 0.809 109.618 108.800 0.015 0.000 2.225 212 G HA2 0.364 4.325 3.960 0.001 0.000 0.245 212 G HA3 0.364 4.325 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 0.264 45.374 45.100 0.016 0.000 0.919 212 G HN 0.938 nan 8.290 nan 0.000 0.486 213 K N -0.086 120.326 120.400 0.020 0.000 3.548 213 K HA -0.148 4.173 4.320 0.001 0.000 0.296 213 K C 0.904 177.519 176.600 0.025 0.000 1.324 213 K CA 0.878 57.179 56.287 0.025 0.000 0.976 213 K CB -1.108 31.410 32.500 0.031 0.000 1.294 213 K HN 0.451 nan 8.250 nan 0.000 0.464 214 M N 1.555 121.168 119.600 0.021 0.000 2.157 214 M HA 0.108 4.589 4.480 0.001 0.000 0.304 214 M C 0.800 177.111 176.300 0.018 0.000 1.171 214 M CA 0.534 55.847 55.300 0.022 0.000 1.157 214 M CB 0.039 32.651 32.600 0.020 0.000 1.403 214 M HN 0.041 nan 8.290 nan 0.000 0.473 215 Q N 0.032 119.844 119.800 0.019 0.000 2.315 215 Q HA 0.291 4.632 4.340 0.001 0.000 0.289 215 Q C 0.839 176.841 176.000 0.004 0.000 1.044 215 Q CA 0.990 56.800 55.803 0.012 0.000 0.920 215 Q CB 0.158 28.908 28.738 0.019 0.000 1.214 215 Q HN 1.023 nan 8.270 nan 0.000 0.392 216 G N 1.812 110.609 108.800 -0.006 0.000 2.367 216 G HA2 -0.153 3.808 3.960 0.001 0.000 0.181 216 G HA3 -0.153 3.808 3.960 0.001 0.000 0.181 216 G C 0.015 174.909 174.900 -0.011 0.000 1.000 216 G CA -0.111 44.983 45.100 -0.010 0.000 0.693 216 G HN 0.561 nan 8.290 nan 0.000 0.480 217 T N 1.887 116.436 114.554 -0.007 0.000 2.909 217 T HA 0.649 5.000 4.350 0.001 0.000 0.299 217 T C -0.965 173.729 174.700 -0.009 0.000 1.073 217 T CA -0.500 61.595 62.100 -0.008 0.000 0.999 217 T CB 2.447 71.316 68.868 0.001 0.000 1.098 217 T HN 1.011 nan 8.240 nan 0.000 0.477 218 L N 1.558 122.773 121.223 -0.015 0.000 2.296 218 L HA 0.806 5.147 4.340 0.001 0.000 0.286 218 L C 0.127 176.995 176.870 -0.003 0.000 1.023 218 L CA -0.275 54.555 54.840 -0.017 0.000 0.812 218 L CB 0.651 42.687 42.059 -0.039 0.000 1.223 218 L HN 0.995 nan 8.230 nan 0.000 0.421 219 E N 1.353 121.558 120.200 0.007 0.000 3.026 219 E HA -0.136 4.215 4.350 0.001 0.000 0.271 219 E C 0.305 176.923 176.600 0.031 0.000 0.499 219 E CA 0.787 57.202 56.400 0.025 0.000 1.976 219 E CB -0.568 29.148 29.700 0.027 0.000 2.815 219 E HN 0.792 nan 8.360 nan 0.000 0.619 220 D N 0.508 120.920 120.400 0.021 0.000 2.414 220 D HA -0.015 4.626 4.640 0.001 0.000 0.237 220 D C 1.773 178.086 176.300 0.021 0.000 0.975 220 D CA 0.993 55.008 54.000 0.025 0.000 0.917 220 D CB -0.205 40.607 40.800 0.020 0.000 1.061 220 D HN 0.239 nan 8.370 nan 0.000 0.480 221 Q N 0.983 120.785 119.800 0.004 0.000 2.077 221 Q HA -0.159 4.182 4.340 0.001 0.000 0.206 221 Q C 2.323 178.321 176.000 -0.003 0.000 0.989 221 Q CA 0.969 56.767 55.803 -0.009 0.000 0.853 221 Q CB -0.256 28.459 28.738 -0.037 0.000 0.907 221 Q HN 0.266 nan 8.270 nan 0.000 0.418 222 I N 1.279 121.847 120.570 -0.003 0.000 2.113 222 I HA -0.300 3.871 4.170 0.001 0.000 0.242 222 I C 2.496 178.633 176.117 0.034 0.000 1.064 222 I CA 1.533 62.837 61.300 0.006 0.000 1.320 222 I CB -0.849 37.159 38.000 0.014 0.000 1.028 222 I HN 0.247 nan 8.210 nan 0.000 0.406 223 I N -0.002 120.596 120.570 0.046 0.000 2.162 223 I HA -0.220 3.951 4.170 0.001 0.000 0.238 223 I C 2.551 178.707 176.117 0.065 0.000 1.076 223 I CA 1.075 62.415 61.300 0.066 0.000 1.353 223 I CB -0.705 37.337 38.000 0.069 0.000 1.063 223 I HN 0.134 nan 8.210 nan 0.000 0.408 224 S N 1.068 116.800 115.700 0.052 0.000 2.441 224 S HA -0.237 4.233 4.470 0.001 0.000 0.242 224 S C 2.146 176.782 174.600 0.060 0.000 1.018 224 S CA 1.272 59.505 58.200 0.055 0.000 0.988 224 S CB -0.420 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 3.229 126.078 122.820 0.050 0.000 1.859 225 A HA -0.262 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 1.912 53.976 52.037 0.046 0.000 0.629 225 A CB -0.930 18.086 19.000 0.026 0.000 0.830 225 A HN 0.608 nan 8.150 nan 0.000 0.446 226 N N 0.548 119.313 118.700 0.107 0.000 2.027 226 N HA -0.174 4.567 4.740 0.001 0.000 0.200 226 N C -0.922 174.691 175.510 0.172 0.000 1.042 226 N CA 2.048 55.191 53.050 0.154 0.000 0.871 226 N CB -2.279 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 -0.087 nan 4.420 nan 0.000 0.227 227 P C 1.552 178.936 177.300 0.140 0.000 1.145 227 P CA 0.670 63.851 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 -1.327 119.983 121.223 0.146 0.000 2.185 228 L HA 0.068 4.409 4.340 0.001 0.000 0.198 228 L C 2.098 179.148 176.870 0.301 0.000 1.079 228 L CA 1.293 56.236 54.840 0.173 0.000 0.780 228 L CB -1.442 40.668 42.059 0.085 0.000 0.955 228 L HN -0.244 nan 8.230 nan 0.000 0.462 229 L N 0.485 121.843 121.223 0.226 0.000 2.051 229 L HA -0.255 4.086 4.340 0.001 0.000 0.214 229 L C 2.592 179.759 176.870 0.494 0.000 1.076 229 L CA 1.766 56.786 54.840 0.299 0.000 0.758 229 L CB -1.244 40.978 42.059 0.271 0.000 0.890 229 L HN 0.436 nan 8.230 nan 0.000 0.433 230 E N -1.102 119.346 120.200 0.413 0.000 2.153 230 E HA -0.179 4.171 4.350 0.001 0.000 0.194 230 E C 2.167 178.979 176.600 0.353 0.000 0.988 230 E CA 1.101 57.742 56.400 0.402 0.000 0.811 230 E CB -0.118 29.772 29.700 0.316 0.000 0.746 230 E HN 0.525 nan 8.360 nan 0.000 0.466 231 A N 0.273 123.231 122.820 0.229 0.000 2.015 231 A HA -0.103 4.218 4.320 0.001 0.000 0.219 231 A C 1.658 179.127 177.584 -0.190 0.000 1.163 231 A CA 1.024 53.065 52.037 0.006 0.000 0.646 231 A CB -0.335 18.497 19.000 -0.281 0.000 0.806 231 A HN 0.147 nan 8.150 nan 0.000 0.448 232 F N -1.229 118.807 119.950 0.144 0.000 2.559 232 F HA 0.252 4.779 4.527 0.001 0.000 0.286 232 F C 2.261 178.010 175.800 -0.085 0.000 1.108 232 F CA 0.731 58.764 58.000 0.055 0.000 1.436 232 F CB -0.052 38.969 39.000 0.035 0.000 1.130 232 F HN 0.242 nan 8.300 nan 0.000 0.584 233 G N -0.761 108.259 108.800 0.366 0.000 3.393 233 G HA2 0.159 4.120 3.960 0.001 0.000 0.255 233 G HA3 0.159 4.120 3.960 0.001 0.000 0.255 233 G C -0.295 175.069 174.900 0.773 0.000 1.097 233 G CA -0.038 45.294 45.100 0.386 0.000 0.780 233 G HN 0.072 nan 8.290 nan 0.000 0.540 234 N N -0.223 118.791 118.700 0.523 0.000 2.265 234 N HA 0.825 5.565 4.740 0.001 0.000 0.300 234 N C -0.325 174.977 175.510 -0.347 0.000 1.148 234 N CA -0.006 53.140 53.050 0.160 0.000 0.772 234 N CB 2.325 40.925 38.487 0.189 0.000 1.434 234 N HN 0.223 nan 8.380 nan 0.000 0.481 238 V N 1.091 120.982 119.914 -0.039 0.000 2.913 238 V HA -0.039 4.082 4.120 0.001 0.000 0.260 238 V C 1.993 178.075 176.094 -0.021 0.000 1.098 238 V CA 1.754 64.032 62.300 -0.037 0.000 1.121 238 V CB -0.497 31.300 31.823 -0.042 0.000 0.714 238 V HN 0.667 nan 8.190 nan 0.000 0.487 239 R N -0.520 119.978 120.500 -0.003 0.000 2.087 239 R HA 0.162 4.503 4.340 0.001 0.000 0.213 239 R C 0.901 177.219 176.300 0.030 0.000 1.137 239 R CA 0.368 56.478 56.100 0.017 0.000 1.022 239 R CB -0.072 30.251 30.300 0.038 0.000 0.920 239 R HN 0.429 nan 8.270 nan 0.000 0.451 240 N N 0.064 118.785 118.700 0.036 0.000 2.483 240 N HA 0.050 4.791 4.740 0.001 0.000 0.285 240 N C -0.399 175.135 175.510 0.040 0.000 1.210 240 N CA -0.112 52.970 53.050 0.054 0.000 0.931 240 N CB 1.601 40.129 38.487 0.068 0.000 1.220 240 N HN -0.153 nan 8.380 nan 0.000 0.542 241 D N -0.596 119.837 120.400 0.054 0.000 2.423 241 D HA 0.119 4.760 4.640 0.001 0.000 0.208 241 D C -0.397 175.972 176.300 0.115 0.000 1.068 241 D CA 0.524 54.555 54.000 0.052 0.000 0.860 241 D CB 0.191 41.005 40.800 0.025 0.000 0.992 241 D HN 0.406 nan 8.370 nan 0.000 0.504 242 N N -0.052 118.726 118.700 0.130 0.000 2.703 242 N HA 0.102 4.843 4.740 0.001 0.000 0.283 242 N C -1.402 174.193 175.510 0.141 0.000 1.851 242 N CA -0.059 53.116 53.050 0.209 0.000 0.826 242 N CB 0.656 39.257 38.487 0.190 0.000 1.239 242 N HN -0.292 nan 8.380 nan 0.000 0.495 243 S N -0.210 115.543 115.700 0.089 0.000 2.565 243 S HA 0.269 4.740 4.470 0.001 0.000 0.276 243 S C 0.109 174.729 174.600 0.033 0.000 1.326 243 S CA -0.198 58.031 58.200 0.047 0.000 1.045 243 S CB 0.492 63.705 63.200 0.023 0.000 0.918 243 S HN 0.331 nan 8.310 nan 0.000 0.505 244 S N 3.269 118.962 115.700 -0.011 0.000 2.430 244 S HA 0.205 4.676 4.470 0.001 0.000 0.282 244 S C 0.940 175.498 174.600 -0.070 0.000 1.186 244 S CA -0.486 57.642 58.200 -0.121 0.000 1.060 244 S CB 0.013 63.068 63.200 -0.243 0.000 0.966 244 S HN 0.577 nan 8.310 nan 0.000 0.501 245 R N 3.373 123.928 120.500 0.093 0.000 2.480 245 R HA 0.198 4.539 4.340 0.001 0.000 0.277 245 R C -0.427 176.062 176.300 0.316 0.000 1.008 245 R CA 0.106 56.324 56.100 0.198 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 -3.759 116.266 119.950 0.125 0.000 2.741 246 F HA 0.708 5.236 4.527 0.001 0.000 0.313 246 F C -0.246 175.666 175.800 0.187 0.000 1.153 246 F CA -1.533 56.547 58.000 0.133 0.000 0.931 246 F CB 0.528 39.587 39.000 0.099 0.000 1.335 246 F HN -0.135 nan 8.300 nan 0.000 0.460 250 I N 5.512 125.923 120.570 -0.264 0.000 2.359 250 I HA 0.540 4.711 4.170 0.001 0.000 0.294 250 I C -0.245 175.559 176.117 -0.522 0.000 0.987 250 I CA -0.731 60.388 61.300 -0.302 0.000 1.225 250 I CB 1.789 39.726 38.000 -0.105 0.000 1.366 250 I HN 0.447 nan 8.210 nan 0.000 0.466 251 R N 5.990 126.228 120.500 -0.436 0.000 2.275 251 R HA 0.531 4.871 4.340 0.001 0.000 0.326 251 R C -1.032 175.078 176.300 -0.316 0.000 0.973 251 R CA -0.482 55.326 56.100 -0.486 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 3.463 123.874 120.570 -0.264 0.000 2.322 252 I HA 0.111 4.282 4.170 0.001 0.000 0.292 252 I C -0.048 175.801 176.117 -0.447 0.000 1.060 252 I CA -0.377 60.703 61.300 -0.367 0.000 1.309 252 I CB 0.535 38.249 38.000 -0.477 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.465 125.344 119.070 -0.318 0.000 2.846 253 H HA 0.320 4.877 4.556 0.001 0.000 0.278 253 H C -0.552 174.621 175.328 -0.258 0.000 1.117 253 H CA -0.084 55.881 56.048 -0.138 0.000 1.406 253 H CB 0.175 29.884 29.762 -0.088 0.000 1.445 253 H HN 0.323 nan 8.280 nan 0.000 0.469 254 F N 1.017 121.073 119.950 0.177 0.000 2.380 254 F HA 0.321 4.849 4.527 0.001 0.000 0.325 254 F C 1.600 177.454 175.800 0.091 0.000 1.136 254 F CA 0.032 58.127 58.000 0.160 0.000 1.171 254 F CB 0.803 39.935 39.000 0.219 0.000 1.230 254 F HN 0.552 nan 8.300 nan 0.000 0.554 255 G N 0.246 109.205 108.800 0.265 0.000 2.494 255 G HA2 0.414 4.375 3.960 0.001 0.000 0.270 255 G HA3 0.414 4.375 3.960 0.001 0.000 0.270 255 G C 0.699 175.610 174.900 0.017 0.000 1.423 255 G CA -0.053 45.106 45.100 0.098 0.000 1.055 255 G HN 0.805 nan 8.290 nan 0.000 0.536 256 A N -1.439 121.371 122.820 -0.017 0.000 1.903 256 A HA 0.080 4.401 4.320 0.001 0.000 0.213 256 A C 2.554 180.178 177.584 0.066 0.000 1.185 256 A CA 2.357 54.373 52.037 -0.035 0.000 0.628 256 A CB -1.142 17.841 19.000 -0.028 0.000 0.830 256 A HN 0.836 nan 8.150 nan 0.000 0.446 257 T N -3.146 111.453 114.554 0.074 0.000 2.622 257 T HA 0.232 4.582 4.350 0.001 0.000 0.266 257 T C 1.525 176.295 174.700 0.117 0.000 1.047 257 T CA 2.051 64.203 62.100 0.088 0.000 1.159 257 T CB -0.597 68.323 68.868 0.087 0.000 0.863 257 T HN 1.525 nan 8.240 nan 0.000 0.422 258 G N 0.233 109.133 108.800 0.166 0.000 2.870 258 G HA2 0.019 3.980 3.960 0.001 0.000 0.216 258 G HA3 0.019 3.980 3.960 0.001 0.000 0.216 258 G C -0.176 174.944 174.900 0.367 0.000 0.973 258 G CA -0.587 44.636 45.100 0.204 0.000 0.807 258 G HN 0.501 nan 8.290 nan 0.000 0.573 259 K N 0.986 121.566 120.400 0.300 0.000 2.130 259 K HA 0.533 4.854 4.320 0.001 0.000 0.268 259 K C 0.871 177.667 176.600 0.327 0.000 0.983 259 K CA -0.795 55.676 56.287 0.306 0.000 0.893 259 K CB 1.931 34.538 32.500 0.178 0.000 1.066 259 K HN 0.203 nan 8.250 nan 0.000 0.450 260 L N 1.500 122.914 121.223 0.319 0.000 2.640 260 L HA -0.248 4.093 4.340 0.001 0.000 0.300 260 L C 1.059 177.949 176.870 0.033 0.000 1.259 260 L CA 0.552 55.458 54.840 0.110 0.000 0.879 260 L CB 0.282 42.377 42.059 0.060 0.000 1.125 260 L HN 0.915 nan 8.230 nan 0.000 0.507 261 A N 1.746 124.535 122.820 -0.051 0.000 1.895 261 A HA 0.385 4.706 4.320 0.001 0.000 0.198 261 A C 0.353 177.896 177.584 -0.069 0.000 1.709 261 A CA 0.289 52.306 52.037 -0.033 0.000 1.194 261 A CB 0.577 19.576 19.000 -0.001 0.000 1.260 261 A HN 0.624 nan 8.150 nan 0.000 0.441 262 S N -1.949 113.702 115.700 -0.081 0.000 2.611 262 S HA 0.759 5.230 4.470 0.001 0.000 0.268 262 S C -0.620 173.956 174.600 -0.040 0.000 1.156 262 S CA -0.093 58.054 58.200 -0.088 0.000 0.817 262 S CB 1.543 64.635 63.200 -0.180 0.000 1.122 262 S HN 1.480 nan 8.310 nan 0.000 0.466 263 A N 0.479 123.272 122.820 -0.045 0.000 2.532 263 A HA 0.888 5.209 4.320 0.001 0.000 0.290 263 A C -1.926 175.629 177.584 -0.047 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 -0.080 0.000 1.317 263 A HN 0.725 nan 8.150 nan 0.000 0.414 264 D N 1.116 121.470 120.400 -0.077 0.000 2.354 264 D HA 0.352 4.993 4.640 0.001 0.000 0.230 264 D C -1.246 174.985 176.300 -0.115 0.000 1.361 264 D CA -0.021 53.919 54.000 -0.099 0.000 0.992 264 D CB 0.850 41.594 40.800 -0.093 0.000 1.409 264 D HN 0.482 nan 8.370 nan 0.000 0.573 265 I N 1.454 121.966 120.570 -0.097 0.000 2.566 265 I HA 0.413 4.584 4.170 0.001 0.000 0.303 265 I C 0.275 176.354 176.117 -0.063 0.000 0.983 265 I CA -0.535 60.726 61.300 -0.066 0.000 1.235 265 I CB 1.810 39.772 38.000 -0.063 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 -0.025 0.000 2.304 266 E HA 0.407 4.758 4.350 0.001 0.000 0.277 266 E C -1.576 174.878 176.600 -0.244 0.000 0.898 266 E CA -0.495 55.825 56.400 -0.135 0.000 0.764 266 E CB 2.152 31.785 29.700 -0.112 0.000 1.216 266 E HN 0.544 nan 8.360 nan 0.000 0.419 267 T N 2.712 117.081 114.554 -0.308 0.000 2.855 267 T HA 0.536 4.887 4.350 0.001 0.000 0.281 267 T C -1.411 173.098 174.700 -0.317 0.000 1.007 267 T CA -0.348 61.670 62.100 -0.137 0.000 1.009 267 T CB 0.420 69.326 68.868 0.063 0.000 0.983 267 T HN 0.253 nan 8.240 nan 0.000 0.455 268 Y N 0.875 121.355 120.300 0.301 0.000 2.442 268 Y HA 0.525 5.076 4.550 0.001 0.000 0.344 268 Y C 0.009 176.039 175.900 0.215 0.000 0.976 268 Y CA -1.722 56.524 58.100 0.244 0.000 1.040 268 Y CB 1.064 39.673 38.460 0.249 0.000 1.228 268 Y HN 0.514 nan 8.280 nan 0.000 0.451 269 L N 3.036 124.422 121.223 0.272 0.000 3.642 269 L HA -0.250 4.090 4.340 0.001 0.000 0.613 269 L C -0.807 176.147 176.870 0.140 0.000 1.064 269 L CA 0.228 55.142 54.840 0.123 0.000 1.039 269 L CB -0.780 41.312 42.059 0.054 0.000 1.226 269 L HN 0.496 nan 8.230 nan 0.000 0.764 270 L N 2.285 123.558 121.223 0.082 0.000 2.350 270 L HA 0.382 4.723 4.340 0.001 0.000 0.275 270 L C 0.878 177.785 176.870 0.062 0.000 1.099 270 L CA 0.378 55.245 54.840 0.045 0.000 0.808 270 L CB 1.239 43.186 42.059 -0.187 0.000 1.149 270 L HN 0.360 nan 8.230 nan 0.000 0.442 274 R N 1.709 122.241 120.500 0.053 0.000 2.091 274 R HA -0.022 4.318 4.340 0.001 0.000 0.238 274 R C 1.865 178.146 176.300 -0.031 0.000 1.136 274 R CA 1.788 57.866 56.100 -0.035 0.000 0.959 274 R CB -0.834 29.270 30.300 -0.325 0.000 0.856 274 R HN 0.331 nan 8.270 nan 0.000 0.437 275 V N 0.316 120.238 119.914 0.013 0.000 2.527 275 V HA -0.260 3.860 4.120 0.001 0.000 0.255 275 V C 1.753 177.668 176.094 -0.298 0.000 1.081 275 V CA 2.182 64.396 62.300 -0.142 0.000 1.092 275 V CB -0.465 31.200 31.823 -0.263 0.000 0.673 275 V HN 0.426 nan 8.190 nan 0.000 0.470 276 T N -2.553 111.824 114.554 -0.294 0.000 2.958 276 T HA 0.324 4.675 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 0.001 61.792 62.100 -0.515 0.000 0.924 276 T CB 0.357 68.962 68.868 -0.438 0.000 1.136 276 T HN 0.297 nan 8.240 nan 0.000 0.506 277 F N 2.053 121.852 119.950 -0.253 0.000 2.692 277 F HA 0.631 5.159 4.527 0.001 0.000 0.320 277 F C -1.858 173.850 175.800 -0.154 0.000 1.123 277 F CA -0.893 56.997 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 3.508 122.728 119.800 -0.967 0.000 2.518 278 Q HA 0.324 4.664 4.340 0.001 0.000 0.254 278 Q C -2.168 173.226 176.000 -1.010 0.000 0.962 278 Q CA -0.783 54.568 55.803 -0.754 0.000 0.982 278 Q CB 1.665 30.185 28.738 -0.363 0.000 1.516 278 Q HN 0.787 nan 8.270 nan 0.000 0.426 279 L N 2.577 123.437 121.223 -0.605 0.000 2.472 279 L HA 0.198 4.539 4.340 0.001 0.000 0.260 279 L C -1.202 175.500 176.870 -0.280 0.000 1.209 279 L CA -1.557 53.045 54.840 -0.395 0.000 0.817 279 L CB 0.245 42.198 42.059 -0.176 0.000 1.106 279 L HN 0.529 nan 8.230 nan 0.000 0.479 280 P HA -0.149 nan 4.420 nan 0.000 0.218 280 P C 0.511 177.748 177.300 -0.104 0.000 1.148 280 P CA 1.236 64.260 63.100 -0.127 0.000 0.822 280 P CB 0.187 31.837 31.700 -0.083 0.000 0.784 281 A N -1.377 121.382 122.820 -0.101 0.000 2.348 281 A HA 0.108 4.429 4.320 0.001 0.000 0.224 281 A C 0.870 178.395 177.584 -0.099 0.000 1.227 281 A CA -0.004 51.981 52.037 -0.086 0.000 0.885 281 A CB -0.176 18.784 19.000 -0.068 0.000 0.933 281 A HN 0.158 nan 8.150 nan 0.000 0.506 282 E N -0.167 119.957 120.200 -0.127 0.000 2.469 282 E HA 0.671 5.022 4.350 0.001 0.000 0.246 282 E C -0.318 176.190 176.600 -0.152 0.000 0.969 282 E CA -1.008 55.312 56.400 -0.133 0.000 0.881 282 E CB 0.988 30.603 29.700 -0.142 0.000 1.320 282 E HN 0.437 nan 8.360 nan 0.000 0.421 283 R N -0.860 119.554 120.500 -0.143 0.000 2.752 283 R HA 0.456 4.797 4.340 0.001 0.000 0.271 283 R C -0.828 175.434 176.300 -0.063 0.000 1.026 283 R CA -0.673 55.360 56.100 -0.110 0.000 0.901 283 R CB 1.611 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 -0.286 115.485 115.700 0.117 0.000 2.640 284 S HA 0.297 4.767 4.470 0.001 0.000 0.262 284 S C -0.410 174.251 174.600 0.103 0.000 1.232 284 S CA -0.550 57.667 58.200 0.029 0.000 0.988 284 S CB 0.052 63.296 63.200 0.074 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.426 121.840 120.300 0.191 0.000 2.812 285 Y HA -0.023 4.528 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 0.707 58.839 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 1.377 120.618 119.070 0.286 0.000 2.326 286 H HA -0.151 4.406 4.556 0.001 0.000 0.301 286 H C 2.355 177.730 175.328 0.079 0.000 1.081 286 H CA 1.673 57.856 56.048 0.226 0.000 1.334 286 H CB -0.454 29.377 29.762 0.115 0.000 1.385 286 H HN 0.809 nan 8.280 nan 0.000 0.504 287 I N 0.779 121.302 120.570 -0.078 0.000 2.161 287 I HA -0.403 3.767 4.170 0.001 0.000 0.246 287 I C 1.916 177.870 176.117 -0.271 0.000 1.048 287 I CA 1.588 62.662 61.300 -0.377 0.000 1.314 287 I CB -0.290 37.163 38.000 -0.912 0.000 1.014 287 I HN -0.045 nan 8.210 nan 0.000 0.418 288 F N -0.213 119.645 119.950 -0.153 0.000 2.075 288 F HA -0.234 4.294 4.527 0.001 0.000 0.297 288 F C 2.216 177.803 175.800 -0.353 0.000 1.113 288 F CA 1.897 59.693 58.000 -0.339 0.000 1.218 288 F CB -1.316 37.319 39.000 -0.608 0.000 0.984 288 F HN 0.109 nan 8.300 nan 0.000 0.472 289 Y N -0.582 119.834 120.300 0.192 0.000 2.373 289 Y HA -0.125 4.426 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 0.771 58.927 58.100 0.093 0.000 1.226 289 Y CB -1.073 37.436 38.460 0.082 0.000 1.000 289 Y HN 0.114 nan 8.280 nan 0.000 0.549 290 Q N 0.508 120.401 119.800 0.155 0.000 1.967 290 Q HA -0.175 4.166 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 2.032 57.881 55.803 0.077 0.000 0.839 290 Q CB -0.343 28.413 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 -0.346 3.825 4.170 0.001 0.000 0.246 291 I C 2.063 178.172 176.117 -0.015 0.000 1.088 291 I CA 1.433 62.731 61.300 -0.004 0.000 1.347 291 I CB -0.227 37.772 38.000 -0.002 0.000 1.041 291 I HN 0.432 nan 8.210 nan 0.000 0.415 292 M N 0.033 119.632 119.600 -0.000 0.000 2.659 292 M HA -0.064 4.417 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 0.740 56.043 55.300 0.006 0.000 1.070 292 M CB -0.230 32.369 32.600 -0.001 0.000 1.525 292 M HN 0.289 nan 8.290 nan 0.000 0.517 293 S N 0.299 116.024 115.700 0.042 0.000 2.402 293 S HA -0.076 4.395 4.470 0.001 0.000 0.229 293 S C 0.644 175.259 174.600 0.025 0.000 1.021 293 S CA 0.904 59.130 58.200 0.042 0.000 0.974 293 S CB -0.367 62.857 63.200 0.039 0.000 0.800 293 S HN 0.706 nan 8.310 nan 0.000 0.484 298 E N 1.156 121.334 120.200 -0.037 0.000 2.097 298 E HA -0.149 4.201 4.350 0.001 0.000 0.196 298 E C 1.774 178.346 176.600 -0.046 0.000 1.000 298 E CA 1.292 57.673 56.400 -0.032 0.000 0.804 298 E CB -0.633 29.045 29.700 -0.037 0.000 0.740 298 E HN 0.137 nan 8.360 nan 0.000 0.454 299 L N 0.367 121.528 121.223 -0.103 0.000 2.021 299 L HA -0.216 4.125 4.340 0.001 0.000 0.215 299 L C 2.236 179.064 176.870 -0.070 0.000 1.074 299 L CA 1.531 56.278 54.840 -0.156 0.000 0.760 299 L CB -0.613 41.274 42.059 -0.287 0.000 0.889 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 I N -0.623 119.921 120.570 -0.042 0.000 2.208 300 I HA -0.305 3.866 4.170 0.001 0.000 0.245 300 I C 2.069 178.211 176.117 0.041 0.000 1.097 300 I CA 1.571 62.871 61.300 0.000 0.000 1.363 300 I CB -0.387 37.617 38.000 0.007 0.000 1.051 300 I HN 0.342 nan 8.210 nan 0.000 0.413 301 D N -0.544 119.876 120.400 0.035 0.000 2.213 301 D HA -0.111 4.530 4.640 0.001 0.000 0.205 301 D C 2.119 178.463 176.300 0.075 0.000 0.961 301 D CA 0.914 54.946 54.000 0.053 0.000 0.853 301 D CB -0.062 40.760 40.800 0.036 0.000 0.967 301 D HN 0.365 nan 8.370 nan 0.000 0.496 302 M N 0.350 119.985 119.600 0.058 0.000 2.132 302 M HA -0.147 4.334 4.480 0.001 0.000 0.263 302 M C 1.329 177.709 176.300 0.135 0.000 1.065 302 M CA 1.305 56.655 55.300 0.084 0.000 1.122 302 M CB 0.180 32.798 32.600 0.031 0.000 1.365 302 M HN -0.112 nan 8.290 nan 0.000 0.411 303 L N 0.256 121.548 121.223 0.116 0.000 2.446 303 L HA 0.241 4.582 4.340 0.001 0.000 0.219 303 L C 0.689 177.722 176.870 0.272 0.000 1.116 303 L CA 0.814 55.757 54.840 0.171 0.000 0.844 303 L CB -0.381 41.743 42.059 0.109 0.000 0.970 303 L HN 0.468 nan 8.230 nan 0.000 0.457 304 L N -0.515 120.838 121.223 0.217 0.000 3.487 304 L HA -0.206 4.135 4.340 0.001 0.000 0.450 304 L C -0.266 176.809 176.870 0.340 0.000 1.290 304 L CA 0.096 55.083 54.840 0.246 0.000 0.874 304 L CB -2.036 40.155 42.059 0.220 0.000 1.804 304 L HN 0.189 nan 8.230 nan 0.000 0.831 305 I N -4.526 116.180 120.570 0.227 0.000 3.445 305 I HA 0.879 5.050 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 1.781 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 -2.343 112.381 114.554 0.284 0.000 2.876 306 T HA 0.388 4.739 4.350 0.001 0.000 0.277 306 T C 0.731 175.516 174.700 0.141 0.000 0.997 306 T CA 0.191 62.412 62.100 0.202 0.000 0.966 306 T CB 1.205 70.208 68.868 0.224 0.000 1.312 306 T HN 0.831 nan 8.240 nan 0.000 0.598 307 T N -2.665 111.962 114.554 0.123 0.000 3.001 307 T HA 0.207 4.558 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 -0.297 61.858 62.100 0.091 0.000 0.985 307 T CB -0.309 68.601 68.868 0.070 0.000 1.011 307 T HN 0.533 nan 8.240 nan 0.000 0.509 308 N N 2.727 121.528 118.700 0.167 0.000 2.439 308 N HA 0.322 5.063 4.740 0.001 0.000 0.249 308 N C -2.218 173.441 175.510 0.247 0.000 1.003 308 N CA -2.612 50.557 53.050 0.199 0.000 0.942 308 N CB 1.835 40.440 38.487 0.196 0.000 1.115 308 N HN -0.072 nan 8.380 nan 0.000 0.505 309 P HA -0.031 nan 4.420 nan 0.000 0.226 309 P C 0.275 177.620 177.300 0.076 0.000 1.153 309 P CA 0.933 64.099 63.100 0.110 0.000 0.777 309 P CB -0.041 31.624 31.700 -0.058 0.000 0.794 310 Y N -0.422 119.963 120.300 0.143 0.000 2.584 310 Y HA -0.044 4.507 4.550 0.001 0.000 0.317 310 Y C 1.449 177.353 175.900 0.007 0.000 1.208 310 Y CA 0.691 58.839 58.100 0.079 0.000 1.299 310 Y CB -0.829 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 -1.651 118.791 120.400 0.070 0.000 2.369 311 D HA 0.027 4.668 4.640 0.001 0.000 0.211 311 D C -0.753 175.031 176.300 -0.861 0.000 1.077 311 D CA 0.498 54.270 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 -0.152 120.146 120.300 -0.003 0.000 2.705 312 Y HA 0.186 4.737 4.550 0.001 0.000 0.355 312 Y C 1.104 177.000 175.900 -0.006 0.000 1.039 312 Y CA -1.018 57.050 58.100 -0.053 0.000 1.233 312 Y CB 0.187 38.559 38.460 -0.146 0.000 1.103 312 Y HN -0.151 nan 8.280 nan 0.000 0.624 313 H N 1.151 120.223 119.070 0.003 0.000 2.330 313 H HA -0.305 4.252 4.556 0.001 0.000 0.290 313 H C 1.334 176.747 175.328 0.142 0.000 1.111 313 H CA 2.540 58.617 56.048 0.048 0.000 1.226 313 H CB -0.017 29.745 29.762 -0.001 0.000 1.355 313 H HN 0.608 nan 8.280 nan 0.000 0.485 314 Y N -0.338 119.849 120.300 -0.188 0.000 2.193 314 Y HA -0.142 4.409 4.550 0.001 0.000 0.285 314 Y C 2.729 178.442 175.900 -0.312 0.000 1.166 314 Y CA 1.588 59.523 58.100 -0.275 0.000 1.181 314 Y CB -0.803 37.554 38.460 -0.172 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.148 117.688 119.914 -0.129 0.000 3.319 315 V HA 0.311 4.432 4.120 0.001 0.000 0.317 315 V C 0.572 176.635 176.094 -0.053 0.000 1.411 315 V CA 0.674 62.843 62.300 -0.218 0.000 1.112 315 V CB -0.203 31.282 31.823 -0.563 0.000 1.031 315 V HN 0.321 nan 8.190 nan 0.000 0.448 316 S N -2.053 113.608 115.700 -0.066 0.000 2.901 316 S HA 0.394 4.864 4.470 0.001 0.000 0.248 316 S C 0.562 175.127 174.600 -0.059 0.000 1.021 316 S CA -0.138 58.001 58.200 -0.102 0.000 1.090 316 S CB 0.149 63.193 63.200 -0.261 0.000 1.039 316 S HN 0.545 nan 8.310 nan 0.000 0.514 317 E N 0.844 120.982 120.200 -0.103 0.000 2.299 317 E HA 0.148 4.499 4.350 0.001 0.000 0.193 317 E C 1.466 177.989 176.600 -0.127 0.000 0.998 317 E CA 0.704 57.035 56.400 -0.115 0.000 0.851 317 E CB 0.149 29.701 29.700 -0.246 0.000 0.795 317 E HN 0.723 nan 8.360 nan 0.000 0.492 318 G N 0.515 109.227 108.800 -0.147 0.000 3.198 318 G HA2 0.153 4.114 3.960 0.001 0.000 0.203 318 G HA3 0.153 4.114 3.960 0.001 0.000 0.203 318 G C 0.075 174.916 174.900 -0.099 0.000 1.950 318 G CA -0.353 44.660 45.100 -0.145 0.000 0.798 318 G HN -0.071 nan 8.290 nan 0.000 0.720 319 E N -0.787 119.332 120.200 -0.134 0.000 2.249 319 E HA 0.531 4.882 4.350 0.001 0.000 0.263 319 E C 0.460 176.900 176.600 -0.267 0.000 0.950 319 E CA -0.588 55.722 56.400 -0.150 0.000 0.827 319 E CB 2.659 32.273 29.700 -0.143 0.000 1.220 319 E HN 0.262 nan 8.360 nan 0.000 0.411 320 I N -0.395 120.005 120.570 -0.283 0.000 3.971 320 I HA 0.023 4.193 4.170 0.001 0.000 0.303 320 I C 0.964 176.817 176.117 -0.440 0.000 1.233 320 I CA 0.512 61.564 61.300 -0.413 0.000 1.346 320 I CB 1.012 38.886 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 -0.238 0.000 2.863 321 T HA 0.663 5.013 4.350 0.001 0.000 0.285 321 T C -1.120 173.495 174.700 -0.142 0.000 1.009 321 T CA -0.480 61.517 62.100 -0.172 0.000 0.989 321 T CB 1.543 70.363 68.868 -0.080 0.000 1.004 321 T HN -0.226 nan 8.240 nan 0.000 0.455 322 V N 7.757 127.596 119.914 -0.125 0.000 2.483 322 V HA 0.343 4.463 4.120 0.001 0.000 0.297 322 V C -1.626 174.426 176.094 -0.069 0.000 1.027 322 V CA -1.666 60.578 62.300 -0.094 0.000 0.855 322 V CB 1.785 33.551 31.823 -0.096 0.000 0.995 322 V HN 0.719 nan 8.190 nan 0.000 0.424 323 P HA -0.156 nan 4.420 nan 0.000 0.215 323 P C 1.649 178.925 177.300 -0.040 0.000 1.153 323 P CA 1.709 64.784 63.100 -0.042 0.000 0.853 323 P CB 0.164 31.843 31.700 -0.036 0.000 0.788 324 S N -1.092 114.583 115.700 -0.040 0.000 2.603 324 S HA 0.008 4.479 4.470 0.001 0.000 0.229 324 S C 0.809 175.383 174.600 -0.043 0.000 0.972 324 S CA -0.056 58.123 58.200 -0.035 0.000 0.935 324 S CB -1.239 61.947 63.200 -0.025 0.000 0.769 324 S HN 0.104 nan 8.310 nan 0.000 0.536 325 I N 0.600 121.133 120.570 -0.061 0.000 2.474 325 I HA 0.513 4.684 4.170 0.001 0.000 0.294 325 I C -1.099 174.979 176.117 -0.066 0.000 1.005 325 I CA -0.906 60.344 61.300 -0.084 0.000 1.113 325 I CB 1.678 39.594 38.000 -0.140 0.000 1.289 325 I HN -0.128 nan 8.210 nan 0.000 0.436 326 D N 4.642 125.008 120.400 -0.057 0.000 2.479 326 D HA 0.166 4.807 4.640 0.001 0.000 0.247 326 D C 0.736 177.018 176.300 -0.031 0.000 1.119 326 D CA -0.228 53.751 54.000 -0.035 0.000 0.922 326 D CB 0.639 41.425 40.800 -0.024 0.000 1.014 326 D HN 0.396 nan 8.370 nan 0.000 0.510 327 D N 1.873 122.259 120.400 -0.024 0.000 2.203 327 D HA -0.220 4.421 4.640 0.001 0.000 0.199 327 D C 1.519 177.824 176.300 0.009 0.000 0.997 327 D CA 1.100 55.099 54.000 -0.001 0.000 0.863 327 D CB 0.365 41.189 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 -0.124 4.217 4.340 0.001 0.000 0.200 328 Q C 2.040 178.044 176.000 0.007 0.000 0.974 328 Q CA 0.793 56.601 55.803 0.008 0.000 0.840 328 Q CB -0.148 28.593 28.738 0.006 0.000 0.898 328 Q HN 0.435 nan 8.270 nan 0.000 0.430 329 E N 0.532 120.733 120.200 0.002 0.000 2.072 329 E HA -0.146 4.204 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 0.600 57.003 56.400 0.005 0.000 0.803 329 E CB 0.311 30.010 29.700 -0.001 0.000 0.755 329 E HN 0.278 nan 8.360 nan 0.000 0.453 330 E N 0.746 120.947 120.200 0.002 0.000 2.077 330 E HA -0.213 4.138 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 0.542 56.946 56.400 0.006 0.000 0.800 330 E CB -0.403 29.285 29.700 -0.019 0.000 0.746 330 E HN 0.293 nan 8.360 nan 0.000 0.452 331 L N 0.661 121.899 121.223 0.025 0.000 2.051 331 L HA -0.247 4.093 4.340 0.001 0.000 0.214 331 L C 2.526 179.434 176.870 0.062 0.000 1.076 331 L CA 1.369 56.236 54.840 0.045 0.000 0.758 331 L CB -0.151 41.931 42.059 0.037 0.000 0.890 331 L HN 0.145 nan 8.230 nan 0.000 0.433 332 M N -1.453 118.173 119.600 0.044 0.000 2.156 332 M HA -0.098 4.383 4.480 0.001 0.000 0.264 332 M C 2.516 178.846 176.300 0.051 0.000 1.067 332 M CA 1.542 56.871 55.300 0.049 0.000 1.131 332 M CB -1.317 31.304 32.600 0.034 0.000 1.368 332 M HN 0.371 nan 8.290 nan 0.000 0.416 333 A N 0.953 123.798 122.820 0.042 0.000 1.892 333 A HA -0.182 4.139 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 2.640 54.704 52.037 0.044 0.000 0.631 333 A CB -1.331 17.694 19.000 0.041 0.000 0.822 333 A HN 0.496 nan 8.150 nan 0.000 0.447 334 T N -0.249 114.335 114.554 0.049 0.000 2.622 334 T HA -0.180 4.170 4.350 0.001 0.000 0.266 334 T C 1.797 176.526 174.700 0.048 0.000 1.047 334 T CA 1.458 63.585 62.100 0.044 0.000 1.159 334 T CB -0.498 68.384 68.868 0.023 0.000 0.863 334 T HN 0.574 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 2.340 178.684 176.300 0.072 0.000 0.998 335 D CA 1.878 55.946 54.000 0.113 0.000 0.839 335 D CB -0.272 40.618 40.800 0.150 0.000 0.962 335 D HN 0.352 nan 8.370 nan 0.000 0.446 336 S N 0.748 116.486 115.700 0.065 0.000 2.387 336 S HA -0.173 4.298 4.470 0.001 0.000 0.230 336 S C 2.237 176.868 174.600 0.052 0.000 1.035 336 S CA 1.442 59.675 58.200 0.055 0.000 1.014 336 S CB -0.479 62.750 63.200 0.047 0.000 0.836 336 S HN 0.480 nan 8.310 nan 0.000 0.466 337 A N 1.724 124.575 122.820 0.051 0.000 1.902 337 A HA -0.034 4.286 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 1.231 53.301 52.037 0.055 0.000 0.623 337 A CB -0.774 18.260 19.000 0.057 0.000 0.818 337 A HN 0.484 nan 8.150 nan 0.000 0.443 338 I N -0.019 120.576 120.570 0.041 0.000 2.127 338 I HA -0.301 3.870 4.170 0.001 0.000 0.241 338 I C 2.089 178.307 176.117 0.168 0.000 1.075 338 I CA 1.757 63.080 61.300 0.038 0.000 1.334 338 I CB -0.579 37.352 38.000 -0.117 0.000 1.040 338 I HN 0.358 nan 8.210 nan 0.000 0.405 339 D N 1.026 121.485 120.400 0.099 0.000 2.103 339 D HA -0.208 4.433 4.640 0.001 0.000 0.190 339 D C 2.226 178.570 176.300 0.073 0.000 0.997 339 D CA 1.647 55.702 54.000 0.091 0.000 0.833 339 D CB -0.319 40.520 40.800 0.065 0.000 0.961 339 D HN 0.363 nan 8.370 nan 0.000 0.447 340 I N 0.762 121.366 120.570 0.057 0.000 2.335 340 I HA -0.247 3.923 4.170 0.001 0.000 0.251 340 I C 2.221 178.347 176.117 0.015 0.000 1.129 340 I CA 0.617 61.935 61.300 0.031 0.000 1.402 340 I CB -0.163 37.855 38.000 0.030 0.000 1.069 340 I HN -0.041 nan 8.210 nan 0.000 0.424 341 L N 0.553 121.808 121.223 0.053 0.000 2.633 341 L HA -0.015 4.326 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 0.877 55.720 54.840 0.004 0.000 0.859 341 L CB -0.603 41.508 42.059 0.086 0.000 0.973 341 L HN 0.505 nan 8.230 nan 0.000 0.451 342 G N -1.235 107.534 108.800 -0.052 0.000 2.143 342 G HA2 -0.308 3.653 3.960 0.001 0.000 0.249 342 G HA3 -0.308 3.653 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 -0.472 44.560 45.100 -0.112 0.000 0.665 342 G HN 0.161 nan 8.290 nan 0.000 0.528 343 F N 1.536 121.422 119.950 -0.107 0.000 2.506 343 F HA 0.520 5.048 4.527 0.001 0.000 0.351 343 F C 1.370 177.143 175.800 -0.046 0.000 1.136 343 F CA 0.748 58.682 58.000 -0.109 0.000 1.298 343 F CB 1.170 40.087 39.000 -0.139 0.000 1.145 343 F HN 0.074 nan 8.300 nan 0.000 0.593 344 S N 1.763 117.577 115.700 0.191 0.000 2.576 344 S HA 0.357 4.828 4.470 0.001 0.000 0.276 344 S C 1.093 175.775 174.600 0.136 0.000 1.339 344 S CA -0.149 58.129 58.200 0.130 0.000 1.039 344 S CB 0.932 64.203 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 -0.123 4.197 4.320 0.001 0.000 0.218 345 A C 1.768 179.407 177.584 0.091 0.000 1.181 345 A CA 2.282 54.373 52.037 0.090 0.000 0.627 345 A CB -1.239 17.805 19.000 0.073 0.000 0.818 345 A HN 0.961 nan 8.150 nan 0.000 0.445 346 D N -0.150 120.301 120.400 0.084 0.000 2.103 346 D HA -0.126 4.515 4.640 0.001 0.000 0.190 346 D C 1.153 177.507 176.300 0.092 0.000 0.997 346 D CA 1.394 55.438 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 0.674 nan 8.370 nan 0.000 0.447 350 A N 1.992 124.823 122.820 0.018 0.000 1.883 350 A HA 0.014 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 1.597 53.610 52.037 -0.040 0.000 0.624 350 A CB -0.885 18.065 19.000 -0.083 0.000 0.822 350 A HN 0.537 nan 8.150 nan 0.000 0.444 351 I N -1.580 118.945 120.570 -0.074 0.000 2.118 351 I HA -0.245 3.926 4.170 0.001 0.000 0.241 351 I C 1.409 177.476 176.117 -0.083 0.000 1.070 351 I CA 1.188 62.394 61.300 -0.158 0.000 1.327 351 I CB -0.916 36.885 38.000 -0.332 0.000 1.034 351 I HN 0.310 nan 8.210 nan 0.000 0.405 355 T N -0.649 113.955 114.554 0.084 0.000 3.035 355 T HA 0.056 4.407 4.350 0.001 0.000 0.268 355 T C 1.475 176.318 174.700 0.239 0.000 1.109 355 T CA 1.310 63.511 62.100 0.167 0.000 1.119 355 T CB -0.113 68.825 68.868 0.115 0.000 0.900 355 T HN 0.448 nan 8.240 nan 0.000 0.503 356 G N 0.640 109.541 108.800 0.169 0.000 2.545 356 G HA2 0.260 4.221 3.960 0.001 0.000 0.212 356 G HA3 0.260 4.221 3.960 0.001 0.000 0.212 356 G C 1.783 176.793 174.900 0.183 0.000 1.144 356 G CA 0.561 45.740 45.100 0.132 0.000 0.813 356 G HN 0.481 nan 8.290 nan 0.000 0.531 357 A N 0.782 123.725 122.820 0.204 0.000 1.892 357 A HA -0.050 4.270 4.320 0.001 0.000 0.218 357 A C 2.566 180.224 177.584 0.123 0.000 1.188 357 A CA 2.038 54.209 52.037 0.223 0.000 0.631 357 A CB -0.855 18.169 19.000 0.040 0.000 0.822 357 A HN 0.267 nan 8.150 nan 0.000 0.447 358 V N 0.185 120.103 119.914 0.008 0.000 2.324 358 V HA -0.366 3.755 4.120 0.001 0.000 0.250 358 V C 2.682 178.903 176.094 0.213 0.000 1.060 358 V CA 2.298 64.629 62.300 0.050 0.000 1.042 358 V CB -0.752 31.196 31.823 0.207 0.000 0.650 358 V HN 0.574 nan 8.190 nan 0.000 0.450 359 M N -0.945 118.738 119.600 0.138 0.000 2.086 359 M HA -0.197 4.284 4.480 0.001 0.000 0.261 359 M C 2.205 178.560 176.300 0.093 0.000 1.067 359 M CA 2.100 57.406 55.300 0.010 0.000 1.116 359 M CB -0.872 31.568 32.600 -0.267 0.000 1.348 359 M HN 0.435 nan 8.290 nan 0.000 0.407 360 H N -1.029 118.195 119.070 0.256 0.000 2.387 360 H HA -0.183 4.373 4.556 0.001 0.000 0.299 360 H C 1.883 177.352 175.328 0.234 0.000 1.099 360 H CA 1.734 57.941 56.048 0.265 0.000 1.315 360 H CB -0.063 29.870 29.762 0.284 0.000 1.380 360 H HN 0.250 nan 8.280 nan 0.000 0.513 361 Y N 0.211 120.613 120.300 0.169 0.000 2.114 361 Y HA -0.171 4.380 4.550 0.001 0.000 0.282 361 Y C 2.766 178.580 175.900 -0.144 0.000 1.165 361 Y CA 1.403 59.571 58.100 0.113 0.000 1.148 361 Y CB -0.952 37.658 38.460 0.251 0.000 0.972 361 Y HN 0.265 nan 8.280 nan 0.000 0.504 362 G N -0.884 107.599 108.800 -0.528 0.000 2.586 362 G HA2 -0.228 3.733 3.960 0.001 0.000 0.215 362 G HA3 -0.228 3.733 3.960 0.001 0.000 0.215 362 G C 1.384 175.995 174.900 -0.482 0.000 1.128 362 G CA 0.924 45.145 45.100 -1.465 0.000 0.774 362 G HN 0.312 nan 8.290 nan 0.000 0.543 363 N N -0.662 117.920 118.700 -0.196 0.000 2.282 363 N HA 0.129 4.870 4.740 0.001 0.000 0.185 363 N C 0.259 175.719 175.510 -0.083 0.000 1.099 363 N CA -0.331 52.653 53.050 -0.110 0.000 0.878 363 N CB 0.227 38.681 38.487 -0.055 0.000 0.993 363 N HN 0.135 nan 8.380 nan 0.000 0.481 364 L N 1.395 122.588 121.223 -0.049 0.000 2.513 364 L HA 0.037 4.377 4.340 0.001 0.000 0.272 364 L C 0.270 177.093 176.870 -0.079 0.000 1.187 364 L CA 0.716 55.498 54.840 -0.096 0.000 0.895 364 L CB 0.179 42.221 42.059 -0.027 0.000 1.147 364 L HN -0.157 nan 8.230 nan 0.000 0.483 365 K N 2.913 123.133 120.400 -0.301 0.000 2.318 365 K HA 0.749 5.070 4.320 0.001 0.000 0.249 365 K C -1.224 175.018 176.600 -0.595 0.000 0.942 365 K CA -0.284 55.910 56.287 -0.155 0.000 0.808 365 K CB 1.364 33.791 32.500 -0.122 0.000 1.189 365 K HN 0.219 nan 8.250 nan 0.000 0.428 371 R N -0.579 119.929 120.500 0.014 0.000 3.977 371 R HA -0.199 4.142 4.340 0.001 0.000 0.428 371 R C -0.325 175.984 176.300 0.014 0.000 1.079 371 R CA 1.446 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 0.202 120.413 120.200 0.017 0.000 2.336 372 E HA 0.237 4.588 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 1.724 31.444 29.700 0.034 0.000 1.261 372 E HN 0.134 nan 8.360 nan 0.000 0.436 373 E N 0.914 121.119 120.200 0.008 0.000 2.451 373 E HA 0.015 4.366 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 -0.063 56.334 56.400 -0.005 0.000 0.914 373 E CB 0.650 30.347 29.700 -0.005 0.000 1.054 373 E HN 0.239 nan 8.360 nan 0.000 0.461 374 Q N 0.165 119.959 119.800 -0.009 0.000 2.221 374 Q HA 0.480 4.821 4.340 0.001 0.000 0.242 374 Q C -0.952 175.008 176.000 -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 30.092 28.738 0.019 0.000 1.226 374 Q HN 0.131 nan 8.270 nan 0.000 0.463 375 A N 2.618 125.346 122.820 -0.154 0.000 2.301 375 A HA 0.511 4.832 4.320 0.001 0.000 0.298 375 A C -0.995 176.519 177.584 -0.116 0.000 1.185 375 A CA -0.340 51.601 52.037 -0.160 0.000 0.830 375 A CB 0.326 19.134 19.000 -0.319 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.799 123.018 120.200 0.031 0.000 2.272 376 E HA 0.626 4.977 4.350 0.001 0.000 0.269 376 E C -2.996 173.725 176.600 0.202 0.000 0.877 376 E CA -2.218 54.241 56.400 0.097 0.000 0.755 376 E CB 1.751 31.502 29.700 0.085 0.000 1.192 376 E HN 0.319 nan 8.360 nan 0.000 0.422 377 P HA 0.007 nan 4.420 nan 0.000 0.264 377 P C -0.438 176.816 177.300 -0.078 0.000 1.183 377 P CA 0.118 63.233 63.100 0.026 0.000 0.763 377 P CB 0.509 32.204 31.700 -0.009 0.000 0.807 378 D N 1.669 121.936 120.400 -0.221 0.000 2.460 378 D HA 0.308 4.948 4.640 0.001 0.000 0.229 378 D C 0.445 176.658 176.300 -0.145 0.000 1.170 378 D CA 0.097 54.015 54.000 -0.138 0.000 0.827 378 D CB -0.497 40.232 40.800 -0.119 0.000 0.973 378 D HN 0.580 nan 8.370 nan 0.000 0.496 379 G N -0.703 108.010 108.800 -0.145 0.000 2.316 379 G HA2 0.095 4.056 3.960 0.001 0.000 0.468 379 G HA3 0.095 4.056 3.960 0.001 0.000 0.468 379 G C -0.302 174.523 174.900 -0.124 0.000 1.523 379 G CA -0.314 44.718 45.100 -0.114 0.000 0.972 379 G HN 0.103 nan 8.290 nan 0.000 0.667 380 T N -1.732 112.773 114.554 -0.082 0.000 3.444 380 T HA 0.607 4.957 4.350 0.001 0.000 0.265 380 T C 0.487 175.150 174.700 -0.062 0.000 1.537 380 T CA 0.048 62.106 62.100 -0.069 0.000 1.530 380 T CB 1.351 70.194 68.868 -0.042 0.000 0.958 380 T HN 0.535 nan 8.240 nan 0.000 0.684 381 E N 0.632 120.788 120.200 -0.073 0.000 2.207 381 E HA 0.066 4.417 4.350 0.001 0.000 0.197 381 E C 1.558 178.115 176.600 -0.071 0.000 0.914 381 E CA 0.461 56.823 56.400 -0.064 0.000 0.914 381 E CB 0.531 30.195 29.700 -0.061 0.000 0.893 381 E HN 0.392 nan 8.360 nan 0.000 0.479 382 V N 1.251 121.117 119.914 -0.079 0.000 2.599 382 V HA -0.022 4.098 4.120 0.001 0.000 0.245 382 V C 2.350 178.397 176.094 -0.079 0.000 1.046 382 V CA 1.358 63.611 62.300 -0.080 0.000 1.065 382 V CB -0.230 31.574 31.823 -0.032 0.000 0.703 382 V HN 0.267 nan 8.190 nan 0.000 0.464 383 A N -0.297 122.479 122.820 -0.073 0.000 1.933 383 A HA -0.147 4.174 4.320 0.001 0.000 0.218 383 A C 1.257 178.838 177.584 -0.006 0.000 1.175 383 A CA 1.283 53.294 52.037 -0.043 0.000 0.628 383 A CB -0.496 18.469 19.000 -0.058 0.000 0.814 383 A HN 0.507 nan 8.150 nan 0.000 0.444 387 A N -0.508 122.412 122.820 0.167 0.000 1.883 387 A HA -0.016 4.304 4.320 0.001 0.000 0.217 387 A C 2.002 179.682 177.584 0.161 0.000 1.186 387 A CA 2.149 54.282 52.037 0.159 0.000 0.624 387 A CB -0.910 18.163 19.000 0.121 0.000 0.822 387 A HN 1.363 nan 8.150 nan 0.000 0.444 388 Y N -0.244 120.082 120.300 0.042 0.000 2.200 388 Y HA -0.087 4.464 4.550 0.001 0.000 0.290 388 Y C 1.828 177.753 175.900 0.043 0.000 1.137 388 Y CA 1.449 59.569 58.100 0.034 0.000 1.163 388 Y CB -0.322 38.147 38.460 0.016 0.000 0.988 388 Y HN 0.162 nan 8.280 nan 0.000 0.518 389 L N 0.218 121.393 121.223 -0.080 0.000 2.191 389 L HA -0.166 4.174 4.340 0.001 0.000 0.212 389 L C 2.029 178.822 176.870 -0.128 0.000 1.103 389 L CA 1.703 56.451 54.840 -0.155 0.000 0.769 389 L CB -0.772 41.332 42.059 0.075 0.000 0.908 389 L HN 0.406 nan 8.230 nan 0.000 0.438 390 M N -2.021 117.550 119.600 -0.049 0.000 2.441 390 M HA 0.252 4.733 4.480 0.001 0.000 0.244 390 M C 1.047 177.314 176.300 -0.055 0.000 1.122 390 M CA 0.584 55.851 55.300 -0.056 0.000 1.041 390 M CB 0.333 32.928 32.600 -0.007 0.000 1.438 390 M HN 0.298 nan 8.290 nan 0.000 0.484 391 G N 1.973 110.734 108.800 -0.064 0.000 2.248 391 G HA2 -0.189 3.772 3.960 0.001 0.000 0.263 391 G HA3 -0.189 3.772 3.960 0.001 0.000 0.263 391 G C -0.659 174.260 174.900 0.031 0.000 1.082 391 G CA -0.277 44.802 45.100 -0.035 0.000 0.863 391 G HN 0.265 nan 8.290 nan 0.000 0.495 392 L N -0.359 120.904 121.223 0.067 0.000 2.260 392 L HA 0.748 5.089 4.340 0.001 0.000 0.265 392 L C 0.184 177.109 176.870 0.092 0.000 1.015 392 L CA -1.580 53.317 54.840 0.095 0.000 0.826 392 L CB 1.555 43.697 42.059 0.138 0.000 1.373 392 L HN 0.236 nan 8.230 nan 0.000 0.450 393 N N -0.726 118.023 118.700 0.082 0.000 2.443 393 N HA 0.177 4.918 4.740 0.001 0.000 0.269 393 N C 0.378 175.927 175.510 0.064 0.000 0.985 393 N CA 0.021 53.113 53.050 0.069 0.000 0.921 393 N CB 1.712 40.230 38.487 0.052 0.000 1.195 393 N HN 0.514 nan 8.380 nan 0.000 0.492 394 S N 2.616 118.352 115.700 0.060 0.000 2.378 394 S HA -0.260 4.211 4.470 0.001 0.000 0.229 394 S C 1.742 176.367 174.600 0.041 0.000 1.052 394 S CA 2.215 60.443 58.200 0.046 0.000 1.084 394 S CB -0.149 63.068 63.200 0.029 0.000 0.950 394 S HN 0.780 nan 8.310 nan 0.000 0.440 395 A N 1.032 123.875 122.820 0.038 0.000 1.832 395 A HA -0.125 4.195 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 1.588 53.648 52.037 0.040 0.000 0.610 395 A CB -0.871 18.149 19.000 0.033 0.000 0.842 395 A HN 0.571 nan 8.150 nan 0.000 0.444 396 E N -0.795 119.428 120.200 0.039 0.000 2.147 396 E HA -0.259 4.092 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 1.485 57.905 56.400 0.033 0.000 0.810 396 E CB -0.324 29.393 29.700 0.029 0.000 0.736 396 E HN 0.525 nan 8.360 nan 0.000 0.460 397 L N 0.504 121.751 121.223 0.039 0.000 2.005 397 L HA -0.166 4.175 4.340 0.001 0.000 0.207 397 L C 2.061 178.951 176.870 0.035 0.000 1.072 397 L CA 1.491 56.353 54.840 0.036 0.000 0.744 397 L CB -0.341 41.754 42.059 0.061 0.000 0.895 397 L HN 0.058 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 -0.120 4.221 4.340 0.001 0.000 0.215 398 L C 2.455 179.376 176.870 0.086 0.000 1.119 398 L CA 1.377 56.274 54.840 0.094 0.000 0.790 398 L CB -1.090 41.027 42.059 0.098 0.000 0.919 398 L HN 0.319 nan 8.230 nan 0.000 0.443 399 K N -0.614 119.837 120.400 0.085 0.000 1.980 399 K HA -0.052 4.268 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 57.553 56.287 0.136 0.000 0.938 399 K CB -0.225 32.346 32.500 0.120 0.000 0.724 399 K HN 0.239 nan 8.250 nan 0.000 0.438 400 A N 1.680 124.519 122.820 0.032 0.000 1.940 400 A HA -0.234 4.087 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 1.654 53.681 52.037 -0.018 0.000 0.647 400 A CB -0.726 18.244 19.000 -0.050 0.000 0.821 400 A HN 0.268 nan 8.150 nan 0.000 0.457 401 L N -1.002 120.174 121.223 -0.079 0.000 2.017 401 L HA -0.151 4.190 4.340 0.001 0.000 0.208 401 L C 2.670 179.385 176.870 -0.259 0.000 1.073 401 L CA 1.928 56.679 54.840 -0.148 0.000 0.745 401 L CB -0.877 41.120 42.059 -0.103 0.000 0.894 401 L HN 0.543 nan 8.230 nan 0.000 0.432 402 C N -2.215 116.917 119.300 -0.280 0.000 2.505 402 C HA -0.026 4.435 4.460 0.001 0.000 0.279 402 C C 0.861 175.400 174.990 -0.752 0.000 1.316 402 C CA -0.132 58.559 59.018 -0.545 0.000 1.720 402 C CB -0.621 26.783 27.740 -0.559 0.000 2.050 402 C HN 0.406 nan 8.230 nan 0.000 0.493 403 Y N 0.885 121.146 120.300 -0.065 0.000 2.553 403 Y HA 0.307 4.858 4.550 0.001 0.000 0.369 403 Y C -2.319 173.549 175.900 -0.054 0.000 0.964 403 Y CA -3.203 54.865 58.100 -0.053 0.000 1.156 403 Y CB -0.594 37.844 38.460 -0.035 0.000 1.218 403 Y HN 0.197 nan 8.280 nan 0.000 0.630 404 P HA -0.089 nan 4.420 nan 0.000 0.256 404 P C -0.120 177.189 177.300 0.015 0.000 1.173 404 P CA 0.324 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 3.617 124.123 120.500 0.009 0.000 2.230 405 R HA 0.401 4.742 4.340 0.001 0.000 0.337 405 R C -0.639 175.658 176.300 -0.005 0.000 1.063 405 R CA -0.685 55.420 56.100 0.009 0.000 0.935 405 R CB 0.090 30.396 30.300 0.010 0.000 1.121 405 R HN 0.102 nan 8.270 nan 0.000 0.486 406 V N 2.322 122.235 119.914 -0.002 0.000 3.596 406 V HA 0.502 4.623 4.120 0.001 0.000 0.288 406 V C 1.063 177.156 176.094 -0.003 0.000 1.021 406 V CA -0.171 62.126 62.300 -0.005 0.000 1.020 406 V CB 1.562 33.384 31.823 -0.002 0.000 1.243 406 V HN 0.947 nan 8.190 nan 0.000 0.433 407 G N 0.071 108.870 108.800 -0.002 0.000 4.566 407 G HA2 0.446 4.406 3.960 0.001 0.000 0.276 407 G HA3 0.446 4.406 3.960 0.001 0.000 0.276 407 G C -0.972 173.927 174.900 -0.001 0.000 1.248 407 G CA -0.113 44.986 45.100 -0.001 0.000 0.858 407 G HN 0.400 nan 8.290 nan 0.000 0.549 408 V N 1.664 121.577 119.914 -0.001 0.000 2.389 408 V HA 0.690 4.811 4.120 0.001 0.000 0.264 408 V C 1.217 177.309 176.094 -0.004 0.000 1.049 408 V CA 1.573 63.871 62.300 -0.002 0.000 0.932 408 V CB 0.185 32.007 31.823 -0.001 0.000 1.011 408 V HN 1.198 nan 8.190 nan 0.000 0.475 409 G N 5.440 114.236 108.800 -0.005 0.000 2.846 409 G HA2 -0.199 3.762 3.960 0.001 0.000 0.225 409 G HA3 -0.199 3.762 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 2.015 120.712 118.700 -0.005 0.000 2.170 410 N HA 0.196 4.937 4.740 0.001 0.000 0.222 410 N C 0.581 176.088 175.510 -0.004 0.000 1.218 410 N CA 1.016 54.063 53.050 -0.005 0.000 0.889 410 N CB 0.755 39.239 38.487 -0.005 0.000 1.083 410 N HN 0.967 nan 8.380 nan 0.000 0.520 411 E N 0.346 120.544 120.200 -0.004 0.000 2.573 411 E HA 0.736 5.087 4.350 0.001 0.000 0.218 411 E C -1.118 175.480 176.600 -0.003 0.000 0.777 411 E CA -1.309 55.089 56.400 -0.004 0.000 0.970 411 E CB 1.170 30.867 29.700 -0.004 0.000 1.666 411 E HN -0.046 nan 8.360 nan 0.000 0.384 412 A N 0.934 123.752 122.820 -0.003 0.000 2.466 412 A HA 0.458 4.779 4.320 0.001 0.000 0.291 412 A C -0.894 176.688 177.584 -0.003 0.000 1.234 412 A CA -0.699 51.336 52.037 -0.003 0.000 0.752 412 A CB 0.682 19.680 19.000 -0.004 0.000 1.153 412 A HN 0.252 nan 8.150 nan 0.000 0.458 413 V N 3.050 122.963 119.914 -0.001 0.000 2.385 413 V HA 0.287 4.408 4.120 0.001 0.000 0.269 413 V C 0.967 177.065 176.094 0.006 0.000 1.043 413 V CA -0.095 62.206 62.300 0.001 0.000 0.906 413 V CB 0.722 32.546 31.823 0.002 0.000 0.995 413 V HN 0.880 nan 8.190 nan 0.000 0.467 417 E N 0.089 120.182 120.200 -0.178 0.000 2.281 417 E HA 0.668 5.018 4.350 0.001 0.000 0.262 417 E C -0.197 176.285 176.600 -0.197 0.000 0.933 417 E CA -0.732 55.559 56.400 -0.182 0.000 0.809 417 E CB 2.171 31.737 29.700 -0.223 0.000 1.242 417 E HN 0.406 nan 8.360 nan 0.000 0.418 418 T N 0.239 114.696 114.554 -0.162 0.000 2.881 418 T HA 0.095 4.446 4.350 0.001 0.000 0.278 418 T C 1.594 176.166 174.700 -0.213 0.000 0.982 418 T CA -0.705 61.307 62.100 -0.147 0.000 0.989 418 T CB 1.253 70.066 68.868 -0.092 0.000 1.058 418 T HN 0.196 nan 8.240 nan 0.000 0.529 419 V N 1.221 121.023 119.914 -0.186 0.000 2.255 419 V HA -0.181 3.940 4.120 0.001 0.000 0.247 419 V C 2.682 178.610 176.094 -0.276 0.000 1.051 419 V CA 2.050 64.193 62.300 -0.261 0.000 1.018 419 V CB -1.028 30.710 31.823 -0.142 0.000 0.641 419 V HN 0.940 nan 8.190 nan 0.000 0.445 420 S N -0.470 115.160 115.700 -0.117 0.000 2.419 420 S HA -0.227 4.244 4.470 0.001 0.000 0.235 420 S C 1.856 176.424 174.600 -0.053 0.000 1.019 420 S CA 1.611 59.792 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 0.731 nan 8.310 nan 0.000 0.490 421 E N 0.432 120.563 120.200 -0.115 0.000 2.158 421 E HA -0.047 4.304 4.350 0.001 0.000 0.191 421 E C 2.023 178.527 176.600 -0.159 0.000 0.982 421 E CA 0.862 57.194 56.400 -0.113 0.000 0.823 421 E CB -0.129 29.498 29.700 -0.122 0.000 0.766 421 E HN 0.353 nan 8.360 nan 0.000 0.468 422 V N 1.374 121.110 119.914 -0.296 0.000 2.255 422 V HA -0.212 3.908 4.120 0.001 0.000 0.243 422 V C 2.122 178.092 176.094 -0.206 0.000 1.038 422 V CA 1.672 63.716 62.300 -0.427 0.000 1.008 422 V CB -0.759 30.500 31.823 -0.939 0.000 0.645 422 V HN 0.253 nan 8.190 nan 0.000 0.449 423 H N 0.957 119.956 119.070 -0.118 0.000 2.394 423 H HA -0.173 4.384 4.556 0.001 0.000 0.297 423 H C 2.269 177.648 175.328 0.085 0.000 1.113 423 H CA 2.013 58.096 56.048 0.058 0.000 1.277 423 H CB -0.650 29.174 29.762 0.104 0.000 1.370 423 H HN 0.579 nan 8.280 nan 0.000 0.506 424 N N -0.197 118.593 118.700 0.149 0.000 2.216 424 N HA -0.115 4.626 4.740 0.001 0.000 0.183 424 N C 2.126 177.685 175.510 0.082 0.000 1.017 424 N CA 1.115 54.228 53.050 0.105 0.000 0.861 424 N CB 0.062 38.585 38.487 0.059 0.000 0.986 424 N HN 0.307 nan 8.380 nan 0.000 0.428 425 S N 0.620 116.339 115.700 0.031 0.000 2.383 425 S HA -0.062 4.408 4.470 0.001 0.000 0.227 425 S C 2.117 176.775 174.600 0.097 0.000 1.026 425 S CA 0.642 58.858 58.200 0.027 0.000 0.981 425 S CB -0.705 62.473 63.200 -0.037 0.000 0.818 425 S HN 0.016 nan 8.310 nan 0.000 0.472 426 V N 2.734 122.726 119.914 0.129 0.000 2.233 426 V HA -0.126 3.995 4.120 0.001 0.000 0.247 426 V C 2.995 179.312 176.094 0.371 0.000 1.050 426 V CA 2.082 64.530 62.300 0.246 0.000 1.010 426 V CB -1.786 30.200 31.823 0.272 0.000 0.637 426 V HN 0.653 nan 8.190 nan 0.000 0.444 427 G N -0.606 108.393 108.800 0.332 0.000 2.469 427 G HA2 -0.265 3.696 3.960 0.001 0.000 0.220 427 G HA3 -0.265 3.696 3.960 0.001 0.000 0.220 427 G C 1.715 176.710 174.900 0.159 0.000 1.136 427 G CA 1.218 46.467 45.100 0.249 0.000 0.759 427 G HN 0.661 nan 8.290 nan 0.000 0.562 428 A N 0.296 123.205 122.820 0.147 0.000 1.930 428 A HA 0.167 4.488 4.320 0.001 0.000 0.217 428 A C 2.421 180.105 177.584 0.168 0.000 1.175 428 A CA 1.250 53.358 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 0.366 nan 8.150 nan 0.000 0.443 429 L N -0.438 120.927 121.223 0.237 0.000 2.044 429 L HA 0.048 4.389 4.340 0.001 0.000 0.205 429 L C 2.048 179.108 176.870 0.316 0.000 1.075 429 L CA 0.382 55.411 54.840 0.316 0.000 0.747 429 L CB -0.935 41.367 42.059 0.405 0.000 0.903 429 L HN 0.383 nan 8.230 nan 0.000 0.435 433 V N 0.181 120.267 119.914 0.288 0.000 2.287 433 V HA -0.291 3.830 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 -1.095 30.816 31.823 0.146 0.000 0.646 433 V HN 0.624 nan 8.190 nan 0.000 0.447 434 Y N 1.241 121.542 120.300 0.001 0.000 2.081 434 Y HA -0.206 4.345 4.550 0.002 0.000 0.280 434 Y C 1.831 177.703 175.900 -0.047 0.000 1.163 434 Y CA 1.881 59.969 58.100 -0.019 0.000 1.135 434 Y CB -0.282 38.181 38.460 0.004 0.000 0.970 434 Y HN 0.427 nan 8.280 nan 0.000 0.498 438 F N 2.294 121.994 119.950 -0.416 0.000 2.161 438 F HA -0.164 4.364 4.527 0.002 0.000 0.300 438 F C 1.363 176.989 175.800 -0.290 0.000 1.089 438 F CA 2.055 59.779 58.000 -0.461 0.000 1.282 438 F CB -0.057 38.674 39.000 -0.448 0.000 1.010 438 F HN 0.252 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 -0.193 4.148 4.340 0.001 0.000 0.208 439 L C 2.076 178.877 176.870 -0.114 0.000 1.073 439 L CA 1.758 56.548 54.840 -0.083 0.000 0.745 439 L CB -1.941 40.124 42.059 0.010 0.000 0.894 439 L HN 0.503 nan 8.230 nan 0.000 0.432 440 W N 0.195 121.354 121.300 -0.234 0.000 2.333 440 W HA -0.267 4.394 4.660 0.001 0.000 0.316 440 W C 2.676 179.077 176.519 -0.196 0.000 1.215 440 W CA 1.794 59.023 57.345 -0.193 0.000 1.278 440 W CB -0.418 28.936 29.460 -0.177 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.230 119.162 119.600 -0.346 0.000 2.089 441 M HA -0.302 4.179 4.480 0.001 0.000 0.257 441 M C 1.874 177.911 176.300 -0.437 0.000 1.071 441 M CA 2.338 57.335 55.300 -0.504 0.000 1.096 441 M CB -0.867 31.372 32.600 -0.602 0.000 1.330 441 M HN -0.066 nan 8.290 nan 0.000 0.403 442 V N 0.466 120.074 119.914 -0.509 0.000 2.255 442 V HA -0.311 3.810 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 2.050 64.094 62.300 -0.427 0.000 1.018 442 V CB -0.555 31.001 31.823 -0.446 0.000 0.641 442 V HN 0.427 nan 8.190 nan 0.000 0.445 443 I N -0.691 119.694 120.570 -0.307 0.000 2.118 443 I HA -0.262 3.909 4.170 0.001 0.000 0.241 443 I C 2.787 178.692 176.117 -0.352 0.000 1.070 443 I CA 1.578 62.721 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 0.186 nan 8.210 nan 0.000 0.405 444 R N 0.388 120.568 120.500 -0.534 0.000 2.105 444 R HA -0.133 4.208 4.340 0.001 0.000 0.239 444 R C 2.201 178.125 176.300 -0.627 0.000 1.135 444 R CA 1.473 57.159 56.100 -0.689 0.000 0.967 444 R CB -0.714 28.915 30.300 -1.120 0.000 0.861 444 R HN 0.445 nan 8.270 nan 0.000 0.442 445 I N 1.224 121.502 120.570 -0.486 0.000 2.113 445 I HA -0.318 3.853 4.170 0.001 0.000 0.238 445 I C 1.954 177.901 176.117 -0.283 0.000 1.070 445 I CA 1.227 62.318 61.300 -0.349 0.000 1.332 445 I CB -0.548 37.317 38.000 -0.224 0.000 1.044 445 I HN 0.130 nan 8.210 nan 0.000 0.402 446 N N 1.100 119.652 118.700 -0.246 0.000 2.133 446 N HA -0.277 4.464 4.740 0.001 0.000 0.193 446 N C 1.839 177.226 175.510 -0.203 0.000 1.012 446 N CA 1.866 54.797 53.050 -0.198 0.000 0.871 446 N CB -0.465 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 0.081 119.735 119.800 -0.244 0.000 2.124 447 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 447 Q C 1.661 177.533 176.000 -0.213 0.000 0.977 447 Q CA 1.328 56.996 55.803 -0.225 0.000 0.850 447 Q CB -0.291 28.325 28.738 -0.204 0.000 0.901 447 Q HN 0.201 nan 8.270 nan 0.000 0.429 448 Q N 0.348 119.999 119.800 -0.248 0.000 2.137 448 Q HA 0.037 4.378 4.340 0.001 0.000 0.198 448 Q C 1.425 177.329 176.000 -0.160 0.000 0.960 448 Q CA 0.712 56.389 55.803 -0.209 0.000 0.847 448 Q CB 0.111 28.707 28.738 -0.236 0.000 0.915 448 Q HN 0.298 nan 8.270 nan 0.000 0.448 449 L N 1.191 122.317 121.223 -0.162 0.000 2.749 449 L HA 0.023 4.364 4.340 0.001 0.000 0.245 449 L C -0.310 176.479 176.870 -0.135 0.000 1.156 449 L CA 0.838 55.598 54.840 -0.132 0.000 0.890 449 L CB -0.767 41.217 42.059 -0.126 0.000 1.036 449 L HN 0.056 nan 8.230 nan 0.000 0.441 450 D N -0.590 119.725 120.400 -0.141 0.000 2.280 450 D HA 0.384 5.025 4.640 0.001 0.000 0.236 450 D C 0.187 176.415 176.300 -0.120 0.000 1.082 450 D CA -0.019 53.896 54.000 -0.142 0.000 0.834 450 D CB 1.145 41.860 40.800 -0.141 0.000 1.100 450 D HN 0.157 nan 8.370 nan 0.000 0.486 451 T N -0.040 114.443 114.554 -0.118 0.000 2.940 451 T HA 0.442 4.793 4.350 0.001 0.000 0.288 451 T C 1.031 175.676 174.700 -0.091 0.000 1.045 451 T CA -0.765 61.279 62.100 -0.093 0.000 1.018 451 T CB 1.952 70.774 68.868 -0.077 0.000 1.151 451 T HN 0.153 nan 8.240 nan 0.000 0.529 452 K N -0.094 120.264 120.400 -0.071 0.000 2.211 452 K HA 0.065 4.386 4.320 0.001 0.000 0.201 452 K C 0.750 177.315 176.600 -0.058 0.000 1.052 452 K CA 0.302 56.551 56.287 -0.063 0.000 0.973 452 K CB 0.023 32.493 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 -0.025 4.316 4.340 0.001 0.000 0.326 453 Q C -2.332 173.640 176.000 -0.047 0.000 1.135 453 Q CA -1.106 54.674 55.803 -0.039 0.000 1.000 453 Q CB -0.641 28.081 28.738 -0.027 0.000 1.237 453 Q HN 0.019 nan 8.270 nan 0.000 0.409 454 P HA 0.090 nan 4.420 nan 0.000 0.272 454 P C -0.959 176.315 177.300 -0.044 0.000 1.223 454 P CA -0.013 63.061 63.100 -0.044 0.000 0.784 454 P CB 0.620 32.297 31.700 -0.038 0.000 0.923 455 R N 1.298 121.768 120.500 -0.050 0.000 2.561 455 R HA 0.376 4.717 4.340 0.001 0.000 0.297 455 R C 0.657 176.911 176.300 -0.077 0.000 0.969 455 R CA -0.611 55.475 56.100 -0.024 0.000 0.879 455 R CB 1.941 32.250 30.300 0.016 0.000 1.178 455 R HN 0.400 nan 8.270 nan 0.000 0.445 456 Q N 1.035 120.691 119.800 -0.240 0.000 2.431 456 Q HA 0.181 4.521 4.340 0.001 0.000 0.244 456 Q C -0.563 175.107 176.000 -0.550 0.000 0.880 456 Q CA 0.738 56.217 55.803 -0.541 0.000 0.954 456 Q CB 0.887 29.047 28.738 -0.963 0.000 1.105 456 Q HN 0.551 nan 8.270 nan 0.000 0.558 457 Y N -1.009 119.405 120.300 0.191 0.000 2.670 457 Y HA 0.506 5.057 4.550 0.001 0.000 0.334 457 Y C -0.662 175.376 175.900 0.229 0.000 1.185 457 Y CA -2.000 56.191 58.100 0.153 0.000 1.053 457 Y CB 0.772 39.252 38.460 0.033 0.000 1.298 457 Y HN -0.038 nan 8.280 nan 0.000 0.459 458 F N -0.828 119.237 119.950 0.192 0.000 2.664 458 F HA 0.911 5.439 4.527 0.001 0.000 0.317 458 F C -1.897 173.923 175.800 0.035 0.000 1.108 458 F CA -1.853 56.116 58.000 -0.052 0.000 0.957 458 F CB 1.643 40.255 39.000 -0.647 0.000 1.365 458 F HN 0.353 nan 8.300 nan 0.000 0.475 459 I N 1.816 122.487 120.570 0.168 0.000 2.439 459 I HA 0.494 4.665 4.170 0.001 0.000 0.283 459 I C 0.008 176.188 176.117 0.104 0.000 1.023 459 I CA -0.732 60.588 61.300 0.032 0.000 1.100 459 I CB 1.677 39.637 38.000 -0.066 0.000 1.238 459 I HN 0.983 nan 8.210 nan 0.000 0.445 460 G N 5.787 114.699 108.800 0.187 0.000 2.353 460 G HA2 0.519 4.480 3.960 0.001 0.000 0.284 460 G HA3 0.519 4.480 3.960 0.001 0.000 0.284 460 G C -0.659 174.326 174.900 0.142 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 3.941 123.872 119.914 0.029 0.000 2.326 461 V HA 0.319 4.440 4.120 0.001 0.000 0.281 461 V C -0.172 176.102 176.094 0.301 0.000 1.015 461 V CA -0.689 61.713 62.300 0.169 0.000 0.823 461 V CB 1.036 32.945 31.823 0.144 0.000 1.009 461 V HN 0.705 nan 8.190 nan 0.000 0.436 462 L N 4.510 125.982 121.223 0.416 0.000 2.282 462 L HA 0.764 5.104 4.340 0.001 0.000 0.288 462 L C -0.628 176.401 176.870 0.266 0.000 1.033 462 L CA 0.344 55.460 54.840 0.459 0.000 0.807 462 L CB 1.458 43.725 42.059 0.348 0.000 1.209 462 L HN 0.644 nan 8.230 nan 0.000 0.423 463 D N 6.370 126.922 120.400 0.253 0.000 2.549 463 D HA 0.564 5.204 4.640 0.001 0.000 0.251 463 D C -0.997 175.398 176.300 0.159 0.000 1.153 463 D CA -0.098 54.003 54.000 0.169 0.000 0.861 463 D CB 1.055 41.935 40.800 0.134 0.000 1.207 463 D HN 0.616 nan 8.370 nan 0.000 0.543 464 I N 0.936 121.577 120.570 0.117 0.000 3.181 464 I HA 0.517 4.688 4.170 0.001 0.000 0.311 464 I C -0.221 175.944 176.117 0.079 0.000 1.287 464 I CA -1.330 60.032 61.300 0.104 0.000 0.958 464 I CB 1.907 39.958 38.000 0.086 0.000 1.294 464 I HN 0.426 nan 8.210 nan 0.000 0.467 465 A N 1.025 123.891 122.820 0.076 0.000 2.304 465 A HA 0.784 5.105 4.320 0.001 0.000 0.271 465 A C 0.081 177.712 177.584 0.079 0.000 1.091 465 A CA -0.011 52.068 52.037 0.070 0.000 0.812 465 A CB 0.585 19.626 19.000 0.068 0.000 1.056 465 A HN 0.864 nan 8.150 nan 0.000 0.489 466 G N -1.007 107.839 108.800 0.077 0.000 2.441 466 G HA2 0.487 4.448 3.960 0.001 0.000 0.334 466 G HA3 0.487 4.448 3.960 0.001 0.000 0.334 466 G C -0.530 174.436 174.900 0.109 0.000 1.161 466 G CA -0.716 44.450 45.100 0.109 0.000 0.935 466 G HN 0.624 nan 8.290 nan 0.000 0.488 467 F N 0.970 120.901 119.950 -0.031 0.000 2.473 467 F HA 0.044 4.572 4.527 0.001 0.000 0.405 467 F C 0.792 176.483 175.800 -0.182 0.000 0.988 467 F CA 0.738 58.666 58.000 -0.119 0.000 1.096 467 F CB 0.187 39.100 39.000 -0.144 0.000 0.944 467 F HN 0.314 nan 8.300 nan 0.000 0.530 468 E N 6.321 126.346 120.200 -0.292 0.000 2.222 468 E HA 0.468 4.819 4.350 0.001 0.000 0.267 468 E C -0.887 175.189 176.600 -0.873 0.000 0.884 468 E CA -0.941 55.157 56.400 -0.504 0.000 0.764 468 E CB 2.084 31.466 29.700 -0.530 0.000 1.169 468 E HN 0.466 nan 8.360 nan 0.000 0.413 469 I N 3.408 123.512 120.570 -0.777 0.000 2.378 469 I HA 0.381 4.552 4.170 0.001 0.000 0.291 469 I C -0.915 174.782 176.117 -0.700 0.000 0.992 469 I CA -0.527 60.389 61.300 -0.640 0.000 1.154 469 I CB 0.681 38.551 38.000 -0.216 0.000 1.315 469 I HN 0.343 nan 8.210 nan 0.000 0.448 470 F N 2.746 122.634 119.950 -0.103 0.000 2.579 470 F HA 0.329 4.857 4.527 0.001 0.000 0.324 470 F C 1.342 177.121 175.800 -0.034 0.000 1.058 470 F CA -1.017 56.958 58.000 -0.042 0.000 0.944 470 F CB 0.825 39.829 39.000 0.007 0.000 1.245 470 F HN 0.475 nan 8.300 nan 0.000 0.477 471 D N 0.229 120.773 120.400 0.239 0.000 2.218 471 D HA -0.192 4.449 4.640 0.001 0.000 0.204 471 D C 0.136 176.554 176.300 0.197 0.000 0.976 471 D CA 1.402 55.491 54.000 0.150 0.000 0.853 471 D CB -0.010 40.870 40.800 0.133 0.000 0.939 471 D HN 0.218 nan 8.370 nan 0.000 0.481 472 F N 2.115 122.126 119.950 0.103 0.000 2.382 472 F HA 0.309 4.836 4.527 0.001 0.000 0.361 472 F C -0.734 175.146 175.800 0.134 0.000 1.109 472 F CA -1.071 56.980 58.000 0.085 0.000 1.031 472 F CB 0.721 39.751 39.000 0.050 0.000 1.234 472 F HN -0.327 nan 8.300 nan 0.000 0.445 473 N N 4.751 123.227 118.700 -0.375 0.000 2.446 473 N HA 0.228 4.969 4.740 0.001 0.000 0.265 473 N C -0.813 174.594 175.510 -0.172 0.000 0.975 473 N CA -0.250 52.675 53.050 -0.208 0.000 0.928 473 N CB 2.043 40.305 38.487 -0.375 0.000 1.160 473 N HN 0.469 nan 8.380 nan 0.000 0.495 474 S N 0.688 116.403 115.700 0.025 0.000 2.776 474 S HA 0.352 4.823 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 -0.593 57.778 58.200 0.285 0.000 0.973 474 S CB 0.534 63.927 63.200 0.322 0.000 1.250 474 S HN 0.449 nan 8.310 nan 0.000 0.549 475 F N 2.306 121.942 119.950 -0.524 0.000 2.085 475 F HA -0.213 4.314 4.527 0.001 0.000 0.299 475 F C 1.858 177.369 175.800 -0.482 0.000 1.096 475 F CA 2.778 60.046 58.000 -1.221 0.000 1.227 475 F CB -0.791 37.332 39.000 -1.462 0.000 0.983 475 F HN 0.678 nan 8.300 nan 0.000 0.482 476 E N 0.018 120.000 120.200 -0.364 0.000 2.160 476 E HA -0.253 4.098 4.350 0.001 0.000 0.195 476 E C 2.011 178.471 176.600 -0.234 0.000 0.991 476 E CA 1.634 57.805 56.400 -0.381 0.000 0.810 476 E CB -0.512 29.099 29.700 -0.149 0.000 0.742 476 E HN 0.514 nan 8.360 nan 0.000 0.466 477 Q N 0.047 119.816 119.800 -0.051 0.000 2.079 477 Q HA -0.069 4.272 4.340 0.001 0.000 0.200 477 Q C 2.076 178.122 176.000 0.077 0.000 0.974 477 Q CA 0.829 56.663 55.803 0.052 0.000 0.840 477 Q CB -0.299 28.528 28.738 0.148 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.010 121.294 121.223 0.102 0.000 1.989 478 L HA -0.230 4.111 4.340 0.001 0.000 0.211 478 L C 1.926 178.852 176.870 0.093 0.000 1.071 478 L CA 1.894 56.734 54.840 0.000 0.000 0.749 478 L CB -0.875 41.050 42.059 -0.224 0.000 0.890 478 L HN 0.343 nan 8.230 nan 0.000 0.431 479 C N -0.569 118.672 119.300 -0.099 0.000 2.398 479 C HA -0.170 4.290 4.460 0.001 0.000 0.276 479 C C 2.679 177.770 174.990 0.168 0.000 1.222 479 C CA 0.982 59.975 59.018 -0.042 0.000 1.746 479 C CB -1.218 25.964 27.740 -0.930 0.000 2.039 479 C HN 0.642 nan 8.230 nan 0.000 0.470 480 I N 1.423 121.997 120.570 0.006 0.000 2.233 480 I HA -0.149 4.022 4.170 0.001 0.000 0.243 480 I C 2.288 178.470 176.117 0.107 0.000 1.093 480 I CA 1.543 62.881 61.300 0.064 0.000 1.380 480 I CB -0.459 37.540 38.000 -0.002 0.000 1.067 480 I HN 0.399 nan 8.210 nan 0.000 0.413 481 N N -0.152 118.556 118.700 0.013 0.000 2.104 481 N HA -0.267 4.473 4.740 0.001 0.000 0.190 481 N C 1.942 177.649 175.510 0.328 0.000 1.024 481 N CA 1.342 54.348 53.050 -0.073 0.000 0.853 481 N CB -0.328 37.875 38.487 -0.474 0.000 1.008 481 N HN 0.239 nan 8.380 nan 0.000 0.424 482 F N 2.501 122.600 119.950 0.248 0.000 2.161 482 F HA -0.150 4.378 4.527 0.002 0.000 0.300 482 F C 2.253 178.218 175.800 0.274 0.000 1.089 482 F CA 1.240 59.428 58.000 0.314 0.000 1.282 482 F CB -0.831 38.380 39.000 0.352 0.000 1.010 482 F HN -0.082 nan 8.300 nan 0.000 0.485 483 T N 0.649 115.289 114.554 0.143 0.000 2.708 483 T HA -0.186 4.165 4.350 0.001 0.000 0.266 483 T C 1.864 176.566 174.700 0.004 0.000 1.037 483 T CA 1.546 63.609 62.100 -0.061 0.000 1.146 483 T CB -0.391 68.522 68.868 0.076 0.000 0.865 483 T HN 0.291 nan 8.240 nan 0.000 0.435 484 N N 0.843 119.643 118.700 0.166 0.000 2.142 484 N HA -0.017 4.724 4.740 0.001 0.000 0.186 484 N C 1.152 176.895 175.510 0.388 0.000 1.023 484 N CA 0.629 53.842 53.050 0.272 0.000 0.852 484 N CB -0.181 38.523 38.487 0.362 0.000 0.998 484 N HN 0.565 nan 8.380 nan 0.000 0.424 488 Q N 0.835 120.753 119.800 0.196 0.000 2.030 488 Q HA -0.230 4.111 4.340 0.001 0.000 0.204 488 Q C 2.051 178.154 176.000 0.172 0.000 0.986 488 Q CA 2.666 58.491 55.803 0.037 0.000 0.843 488 Q CB -0.229 28.289 28.738 -0.367 0.000 0.904 488 Q HN 0.498 nan 8.270 nan 0.000 0.420 489 Q N -1.369 118.546 119.800 0.191 0.000 2.234 489 Q HA -0.180 4.161 4.340 0.001 0.000 0.206 489 Q C 1.754 177.933 176.000 0.300 0.000 0.980 489 Q CA 1.357 57.290 55.803 0.217 0.000 0.869 489 Q CB -0.269 28.582 28.738 0.188 0.000 0.912 489 Q HN 0.477 nan 8.270 nan 0.000 0.436 490 F N 0.202 120.264 119.950 0.187 0.000 2.186 490 F HA -0.156 4.372 4.527 0.001 0.000 0.299 490 F C 1.567 177.588 175.800 0.369 0.000 1.090 490 F CA 1.094 59.226 58.000 0.220 0.000 1.307 490 F CB -0.467 38.657 39.000 0.207 0.000 1.019 490 F HN 0.193 nan 8.300 nan 0.000 0.489 491 F N 1.319 121.318 119.950 0.081 0.000 2.074 491 F HA -0.089 4.439 4.527 0.001 0.000 0.290 491 F C 2.127 177.924 175.800 -0.004 0.000 1.118 491 F CA 1.848 59.782 58.000 -0.111 0.000 1.199 491 F CB -1.069 37.704 39.000 -0.379 0.000 1.012 491 F HN -0.142 nan 8.300 nan 0.000 0.472 492 N N -0.357 118.416 118.700 0.122 0.000 2.242 492 N HA -0.295 4.446 4.740 0.001 0.000 0.191 492 N C 1.640 177.262 175.510 0.187 0.000 1.005 492 N CA 1.844 54.954 53.050 0.100 0.000 0.877 492 N CB -0.661 37.967 38.487 0.235 0.000 0.983 492 N HN 0.629 nan 8.380 nan 0.000 0.439 493 H N -1.256 117.852 119.070 0.062 0.000 2.329 493 H HA -0.005 4.551 4.556 0.001 0.000 0.306 493 H C 2.108 177.505 175.328 0.115 0.000 1.062 493 H CA 1.540 57.641 56.048 0.089 0.000 1.364 493 H CB -0.226 29.569 29.762 0.054 0.000 1.409 493 H HN 0.331 nan 8.280 nan 0.000 0.519 494 H N -0.337 118.754 119.070 0.035 0.000 2.426 494 H HA -0.146 4.411 4.556 0.001 0.000 0.298 494 H C 2.197 177.429 175.328 -0.159 0.000 1.107 494 H CA 2.054 58.049 56.048 -0.088 0.000 1.298 494 H CB -0.156 29.471 29.762 -0.224 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.174 118.270 119.600 -0.261 0.000 2.288 495 M HA -0.058 4.423 4.480 0.001 0.000 0.266 495 M C 1.692 178.014 176.300 0.037 0.000 1.072 495 M CA 1.039 56.156 55.300 -0.305 0.000 1.132 495 M CB -0.086 32.186 32.600 -0.547 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.168 120.159 119.950 0.069 0.000 2.163 496 F HA -0.117 4.411 4.527 0.001 0.000 0.297 496 F C 1.739 177.508 175.800 -0.053 0.000 1.094 496 F CA 1.148 59.281 58.000 0.221 0.000 1.290 496 F CB -0.380 38.586 39.000 -0.057 0.000 1.017 496 F HN -0.192 nan 8.300 nan 0.000 0.483 497 V N 0.727 120.576 119.914 -0.107 0.000 2.261 497 V HA -0.295 3.826 4.120 0.001 0.000 0.246 497 V C 2.417 178.315 176.094 -0.327 0.000 1.047 497 V CA 1.962 64.085 62.300 -0.296 0.000 1.015 497 V CB -0.863 30.863 31.823 -0.163 0.000 0.642 497 V HN 0.407 nan 8.190 nan 0.000 0.446 498 L N -0.271 120.754 121.223 -0.330 0.000 1.989 498 L HA -0.177 4.164 4.340 0.001 0.000 0.211 498 L C 2.635 179.337 176.870 -0.280 0.000 1.071 498 L CA 1.970 56.609 54.840 -0.335 0.000 0.749 498 L CB -0.687 41.112 42.059 -0.434 0.000 0.890 498 L HN 0.273 nan 8.230 nan 0.000 0.431 499 E N -0.399 119.671 120.200 -0.217 0.000 2.048 499 E HA -0.354 3.997 4.350 0.001 0.000 0.202 499 E C 2.078 178.391 176.600 -0.478 0.000 1.021 499 E CA 1.833 58.062 56.400 -0.285 0.000 0.825 499 E CB -0.513 29.139 29.700 -0.079 0.000 0.756 499 E HN 0.642 nan 8.360 nan 0.000 0.454 500 Q N 0.460 120.148 119.800 -0.186 0.000 2.376 500 Q HA -0.219 4.121 4.340 0.001 0.000 0.211 500 Q C 1.809 177.588 176.000 -0.368 0.000 0.986 500 Q CA 1.594 57.264 55.803 -0.221 0.000 0.886 500 Q CB -0.030 28.349 28.738 -0.598 0.000 0.927 500 Q HN 0.299 nan 8.270 nan 0.000 0.457 501 E N -0.216 119.694 120.200 -0.484 0.000 2.076 501 E HA -0.182 4.169 4.350 0.001 0.000 0.190 501 E C 1.700 177.208 176.600 -1.820 0.000 0.979 501 E CA 0.898 56.819 56.400 -0.799 0.000 0.807 501 E CB 0.167 29.674 29.700 -0.321 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N -0.166 119.490 120.200 -0.908 0.000 2.012 502 E HA -0.148 4.203 4.350 0.001 0.000 0.197 502 E C 0.067 176.449 176.600 -0.363 0.000 1.007 502 E CA 1.001 57.064 56.400 -0.562 0.000 0.816 502 E CB -0.266 29.247 29.700 -0.311 0.000 0.762 502 E HN 0.106 nan 8.360 nan 0.000 0.451 507 G N 1.226 110.091 108.800 0.108 0.000 2.148 507 G HA2 -0.159 3.802 3.960 0.001 0.000 0.157 507 G HA3 -0.159 3.802 3.960 0.001 0.000 0.157 507 G C 0.187 175.105 174.900 0.030 0.000 1.012 507 G CA 0.065 45.197 45.100 0.052 0.000 0.677 507 G HN 0.146 nan 8.290 nan 0.000 0.506 508 I N 0.256 120.843 120.570 0.027 0.000 2.945 508 I HA 0.342 4.513 4.170 0.001 0.000 0.292 508 I C 0.785 176.878 176.117 -0.040 0.000 1.093 508 I CA -0.155 61.098 61.300 -0.078 0.000 1.336 508 I CB 0.968 38.802 38.000 -0.277 0.000 1.435 508 I HN 0.051 nan 8.210 nan 0.000 0.593 509 E N 4.396 124.572 120.200 -0.040 0.000 2.267 509 E HA 0.182 4.533 4.350 0.001 0.000 0.241 509 E C -1.593 175.099 176.600 0.153 0.000 0.950 509 E CA -0.316 56.106 56.400 0.036 0.000 0.776 509 E CB 0.766 30.486 29.700 0.034 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.428 124.617 121.300 -0.184 0.000 2.619 510 W HA 0.306 4.967 4.660 0.001 0.000 0.327 510 W C -0.852 175.737 176.519 0.116 0.000 1.027 510 W CA -0.644 56.616 57.345 -0.141 0.000 1.233 510 W CB 1.474 30.583 29.460 -0.584 0.000 1.370 510 W HN 0.344 nan 8.180 nan 0.000 0.453 511 E N 4.605 124.571 120.200 -0.391 0.000 2.179 511 E HA 0.501 4.851 4.350 0.001 0.000 0.275 511 E C -1.065 175.354 176.600 -0.301 0.000 0.945 511 E CA -0.595 55.628 56.400 -0.295 0.000 0.792 511 E CB 1.970 31.524 29.700 -0.243 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.142 119.599 119.950 -0.348 0.000 2.688 512 F HA 0.509 5.036 4.527 0.001 0.000 0.308 512 F C -1.338 174.432 175.800 -0.050 0.000 1.117 512 F CA -1.232 56.610 58.000 -0.263 0.000 0.976 512 F CB 0.481 39.328 39.000 -0.256 0.000 1.291 512 F HN 0.312 nan 8.300 nan 0.000 0.439 513 I N 2.490 123.032 120.570 -0.046 0.000 2.638 513 I HA 0.095 4.266 4.170 0.001 0.000 0.286 513 I C 0.495 176.337 176.117 -0.459 0.000 1.088 513 I CA -0.057 61.142 61.300 -0.168 0.000 1.397 513 I CB 0.438 38.356 38.000 -0.137 0.000 1.414 513 I HN 0.704 nan 8.210 nan 0.000 0.566 514 D N 4.584 124.329 120.400 -1.092 0.000 2.571 514 D HA -0.143 4.498 4.640 0.001 0.000 0.231 514 D C 0.551 176.362 176.300 -0.814 0.000 1.133 514 D CA 0.713 53.604 54.000 -1.849 0.000 0.862 514 D CB 0.541 40.606 40.800 -1.224 0.000 1.179 514 D HN 0.265 nan 8.370 nan 0.000 0.474 515 F N 1.705 121.530 119.950 -0.208 0.000 2.710 515 F HA 0.155 4.683 4.527 0.001 0.000 0.298 515 F C 2.385 178.180 175.800 -0.008 0.000 1.137 515 F CA 0.268 58.268 58.000 0.000 0.000 1.444 515 F CB -0.215 38.838 39.000 0.089 0.000 1.111 515 F HN 0.495 nan 8.300 nan 0.000 0.580 516 G N 0.301 109.156 108.800 0.091 0.000 2.421 516 G HA2 -0.327 3.634 3.960 0.001 0.000 0.216 516 G HA3 -0.327 3.634 3.960 0.001 0.000 0.216 516 G C 1.729 176.678 174.900 0.082 0.000 1.171 516 G CA 0.851 46.023 45.100 0.121 0.000 0.775 516 G HN 0.326 nan 8.290 nan 0.000 0.543 517 M N 0.624 120.229 119.600 0.009 0.000 2.201 517 M HA -0.221 4.260 4.480 0.001 0.000 0.251 517 M C 1.803 178.134 176.300 0.051 0.000 1.090 517 M CA 2.213 57.516 55.300 0.004 0.000 1.063 517 M CB -0.273 32.291 32.600 -0.060 0.000 1.360 517 M HN 0.146 nan 8.290 nan 0.000 0.401 518 D N -0.152 120.296 120.400 0.081 0.000 2.218 518 D HA -0.104 4.537 4.640 0.001 0.000 0.204 518 D C 1.623 177.993 176.300 0.117 0.000 0.976 518 D CA 1.321 55.382 54.000 0.103 0.000 0.853 518 D CB 0.011 40.890 40.800 0.132 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.188 121.490 121.223 0.132 0.000 2.477 519 L HA 0.160 4.500 4.340 0.001 0.000 0.220 519 L C 2.328 179.285 176.870 0.145 0.000 1.106 519 L CA 0.267 55.204 54.840 0.162 0.000 0.851 519 L CB -0.411 41.769 42.059 0.202 0.000 0.994 519 L HN -0.145 nan 8.230 nan 0.000 0.462 520 A N 0.515 123.403 122.820 0.113 0.000 1.997 520 A HA -0.249 4.071 4.320 0.001 0.000 0.221 520 A C 2.569 180.211 177.584 0.097 0.000 1.172 520 A CA 1.938 54.036 52.037 0.101 0.000 0.645 520 A CB -0.752 18.290 19.000 0.071 0.000 0.813 520 A HN 0.387 nan 8.150 nan 0.000 0.454 521 A N -1.051 121.822 122.820 0.089 0.000 1.851 521 A HA -0.266 4.055 4.320 0.001 0.000 0.216 521 A C 2.468 180.099 177.584 0.078 0.000 1.195 521 A CA 1.846 53.929 52.037 0.077 0.000 0.622 521 A CB -1.514 17.531 19.000 0.075 0.000 0.831 521 A HN 0.853 nan 8.150 nan 0.000 0.444 522 C N -0.613 118.744 119.300 0.095 0.000 2.432 522 C HA -0.079 4.382 4.460 0.001 0.000 0.277 522 C C 2.611 177.665 174.990 0.107 0.000 1.249 522 C CA 1.077 60.142 59.018 0.078 0.000 1.725 522 C CB -1.551 26.225 27.740 0.061 0.000 2.028 522 C HN 0.582 nan 8.230 nan 0.000 0.477 523 I N 1.475 122.156 120.570 0.183 0.000 2.127 523 I HA -0.226 3.945 4.170 0.001 0.000 0.241 523 I C 2.608 178.826 176.117 0.168 0.000 1.075 523 I CA 2.135 63.595 61.300 0.266 0.000 1.334 523 I CB -0.642 37.524 38.000 0.277 0.000 1.040 523 I HN 0.465 nan 8.210 nan 0.000 0.405 524 E N 0.689 120.956 120.200 0.111 0.000 2.097 524 E HA -0.299 4.052 4.350 0.001 0.000 0.196 524 E C 2.228 178.838 176.600 0.016 0.000 1.000 524 E CA 1.402 57.845 56.400 0.072 0.000 0.804 524 E CB -0.715 29.022 29.700 0.062 0.000 0.740 524 E HN 0.413 nan 8.360 nan 0.000 0.454 525 L N 1.027 122.234 121.223 -0.026 0.000 2.127 525 L HA -0.132 4.209 4.340 0.001 0.000 0.211 525 L C 2.194 178.925 176.870 -0.233 0.000 1.089 525 L CA 1.365 56.120 54.840 -0.143 0.000 0.757 525 L CB -0.104 41.872 42.059 -0.139 0.000 0.899 525 L HN 0.076 nan 8.230 nan 0.000 0.434 526 I N -1.141 119.302 120.570 -0.212 0.000 2.385 526 I HA -0.058 4.113 4.170 0.001 0.000 0.244 526 I C 1.350 177.285 176.117 -0.303 0.000 1.089 526 I CA 0.424 61.473 61.300 -0.419 0.000 1.410 526 I CB -0.222 37.395 38.000 -0.639 0.000 1.117 526 I HN 0.325 nan 8.210 nan 0.000 0.429 530 M N 0.981 120.617 119.600 0.059 0.000 2.453 530 M HA 0.326 4.806 4.480 0.001 0.000 0.239 530 M C 0.745 177.137 176.300 0.153 0.000 1.151 530 M CA 0.409 55.737 55.300 0.048 0.000 0.989 530 M CB 0.125 32.702 32.600 -0.038 0.000 1.548 530 M HN 0.111 nan 8.290 nan 0.000 0.479 531 G N 0.310 109.192 108.800 0.136 0.000 2.572 531 G HA2 0.360 4.321 3.960 0.001 0.000 0.261 531 G HA3 0.360 4.321 3.960 0.001 0.000 0.261 531 G C 1.203 176.102 174.900 -0.001 0.000 1.197 531 G CA -0.689 44.439 45.100 0.047 0.000 0.870 531 G HN 0.236 nan 8.290 nan 0.000 0.548 532 I N -0.149 120.300 120.570 -0.201 0.000 2.203 532 I HA -0.355 3.815 4.170 0.001 0.000 0.237 532 I C 2.481 178.635 176.117 0.061 0.000 0.993 532 I CA 1.929 63.122 61.300 -0.178 0.000 1.277 532 I CB -0.720 37.047 38.000 -0.387 0.000 0.984 532 I HN 0.348 nan 8.210 nan 0.000 0.402 533 F N 1.083 121.066 119.950 0.054 0.000 2.065 533 F HA -0.243 4.285 4.527 0.001 0.000 0.298 533 F C 3.052 178.915 175.800 0.104 0.000 1.112 533 F CA 1.828 59.884 58.000 0.094 0.000 1.212 533 F CB -1.385 37.641 39.000 0.043 0.000 0.975 533 F HN 0.030 nan 8.300 nan 0.000 0.476 534 S N 0.272 116.133 115.700 0.267 0.000 2.365 534 S HA -0.214 4.257 4.470 0.001 0.000 0.221 534 S C 2.227 176.934 174.600 0.177 0.000 1.037 534 S CA 1.658 59.969 58.200 0.186 0.000 1.060 534 S CB -0.643 62.638 63.200 0.134 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.053 121.729 120.570 0.176 0.000 2.300 535 I HA -0.217 3.953 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 0.809 62.227 61.300 0.195 0.000 1.384 535 I CB -0.286 37.804 38.000 0.152 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 4.160 4.340 0.001 0.000 0.205 536 L C 2.386 179.264 176.870 0.013 0.000 1.075 536 L CA 1.842 56.733 54.840 0.085 0.000 0.747 536 L CB -0.687 41.511 42.059 0.231 0.000 0.903 536 L HN 0.338 nan 8.230 nan 0.000 0.435 537 E N -1.506 118.765 120.200 0.119 0.000 2.502 537 E HA -0.125 4.226 4.350 0.001 0.000 0.194 537 E C 1.521 178.181 176.600 0.101 0.000 1.062 537 E CA 0.353 56.806 56.400 0.089 0.000 0.867 537 E CB -0.045 29.716 29.700 0.103 0.000 0.888 537 E HN 0.643 nan 8.360 nan 0.000 0.510 538 E N 1.446 121.721 120.200 0.124 0.000 2.045 538 E HA -0.130 4.221 4.350 0.001 0.000 0.190 538 E C 1.650 178.398 176.600 0.246 0.000 0.968 538 E CA 0.291 56.796 56.400 0.176 0.000 0.813 538 E CB 0.202 30.009 29.700 0.178 0.000 0.780 538 E HN 0.025 nan 8.360 nan 0.000 0.455 539 E N 0.230 120.530 120.200 0.167 0.000 2.233 539 E HA -0.208 4.142 4.350 0.001 0.000 0.199 539 E C 1.670 178.373 176.600 0.173 0.000 1.004 539 E CA 0.914 57.398 56.400 0.140 0.000 0.819 539 E CB -0.266 29.447 29.700 0.021 0.000 0.738 539 E HN 0.243 nan 8.360 nan 0.000 0.478 540 C N -0.507 118.848 119.300 0.092 0.000 2.466 540 C HA 0.038 4.499 4.460 0.001 0.000 0.283 540 C C 2.170 177.218 174.990 0.096 0.000 1.472 540 C CA 0.431 59.483 59.018 0.056 0.000 1.765 540 C CB -0.895 26.853 27.740 0.014 0.000 1.724 540 C HN 0.491 nan 8.230 nan 0.000 0.560 541 M N -1.676 118.019 119.600 0.158 0.000 2.465 541 M HA 0.210 4.691 4.480 0.001 0.000 0.249 541 M C -0.284 176.010 176.300 -0.010 0.000 1.130 541 M CA 0.422 55.761 55.300 0.065 0.000 1.067 541 M CB 0.223 32.840 32.600 0.030 0.000 1.394 541 M HN 0.119 nan 8.290 nan 0.000 0.483 542 F N 1.536 121.493 119.950 0.012 0.000 2.404 542 F HA 0.233 4.761 4.527 0.002 0.000 0.359 542 F C -1.479 174.328 175.800 0.011 0.000 1.134 542 F CA -2.257 55.752 58.000 0.014 0.000 1.160 542 F CB 0.240 39.253 39.000 0.021 0.000 1.186 542 F HN -0.021 nan 8.300 nan 0.000 0.526 543 P HA -0.185 nan 4.420 nan 0.000 0.224 543 P C 0.253 177.603 177.300 0.084 0.000 1.142 543 P CA 1.377 64.514 63.100 0.062 0.000 0.778 543 P CB 0.187 31.898 31.700 0.019 0.000 0.764 544 K N -1.248 119.230 120.400 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 0.112 0.000 1.130 544 K CA -0.337 56.012 56.287 0.104 0.000 1.021 544 K CB 1.141 33.696 32.500 0.091 0.000 0.736 544 K HN -0.010 nan 8.250 nan 0.000 0.448 545 A N 0.405 123.298 122.820 0.121 0.000 2.264 545 A HA 0.680 5.001 4.320 0.001 0.000 0.304 545 A C 0.024 177.643 177.584 0.058 0.000 1.100 545 A CA -0.060 52.026 52.037 0.082 0.000 0.839 545 A CB 0.849 19.900 19.000 0.085 0.000 1.121 545 A HN 0.126 nan 8.150 nan 0.000 0.496 546 T N -0.147 114.438 114.554 0.052 0.000 2.916 546 T HA 0.340 4.690 4.350 0.001 0.000 0.292 546 T C 0.169 174.919 174.700 0.084 0.000 1.064 546 T CA -0.386 61.748 62.100 0.056 0.000 1.011 546 T CB 1.476 70.375 68.868 0.051 0.000 1.152 546 T HN 0.584 nan 8.240 nan 0.000 0.510 547 D N 0.975 121.422 120.400 0.078 0.000 2.104 547 D HA -0.088 4.553 4.640 0.001 0.000 0.194 547 D C 2.092 178.462 176.300 0.118 0.000 0.994 547 D CA 1.514 55.584 54.000 0.117 0.000 0.830 547 D CB -0.312 40.512 40.800 0.040 0.000 0.959 547 D HN 0.467 nan 8.370 nan 0.000 0.452 548 T N 0.115 114.709 114.554 0.066 0.000 2.720 548 T HA -0.185 4.166 4.350 0.001 0.000 0.268 548 T C 2.075 176.802 174.700 0.044 0.000 1.037 548 T CA 1.825 63.956 62.100 0.053 0.000 1.144 548 T CB -0.311 68.592 68.868 0.058 0.000 0.864 548 T HN 0.241 nan 8.240 nan 0.000 0.444 549 S N 1.318 117.052 115.700 0.056 0.000 2.354 549 S HA -0.117 4.354 4.470 0.001 0.000 0.219 549 S C 1.052 175.679 174.600 0.046 0.000 1.035 549 S CA 0.476 58.695 58.200 0.032 0.000 1.037 549 S CB -0.902 62.307 63.200 0.016 0.000 0.956 549 S HN 0.372 nan 8.310 nan 0.000 0.428 555 Y N 0.939 121.148 120.300 -0.152 0.000 2.114 555 Y HA -0.091 4.460 4.550 0.002 0.000 0.284 555 Y C 2.206 178.035 175.900 -0.118 0.000 1.119 555 Y CA 1.708 59.781 58.100 -0.045 0.000 1.108 555 Y CB -0.673 37.815 38.460 0.046 0.000 0.995 555 Y HN 0.144 nan 8.280 nan 0.000 0.491 556 D N -0.138 120.314 120.400 0.086 0.000 2.244 556 D HA -0.247 4.394 4.640 0.001 0.000 0.197 556 D C 1.947 178.185 176.300 -0.103 0.000 1.006 556 D CA 1.978 55.970 54.000 -0.012 0.000 0.888 556 D CB -0.142 40.639 40.800 -0.033 0.000 0.912 556 D HN 0.494 nan 8.370 nan 0.000 0.452 557 E N -1.473 118.600 120.200 -0.211 0.000 2.307 557 E HA -0.041 4.309 4.350 0.001 0.000 0.195 557 E C 1.522 177.768 176.600 -0.590 0.000 0.975 557 E CA 0.733 56.897 56.400 -0.393 0.000 0.878 557 E CB 0.230 29.633 29.700 -0.495 0.000 0.845 557 E HN 0.323 nan 8.360 nan 0.000 0.488 558 H N -0.715 118.116 119.070 -0.398 0.000 2.788 558 H HA 0.225 4.782 4.556 0.001 0.000 0.262 558 H C 0.235 175.404 175.328 -0.264 0.000 0.968 558 H CA -0.164 55.553 56.048 -0.551 0.000 1.218 558 H CB 0.263 29.253 29.762 -1.288 0.000 1.443 558 H HN 0.143 nan 8.280 nan 0.000 0.478 559 L N 1.244 122.500 121.223 0.054 0.000 2.499 559 L HA 0.162 4.502 4.340 0.001 0.000 0.273 559 L C 1.305 178.270 176.870 0.158 0.000 1.195 559 L CA 1.120 56.159 54.840 0.332 0.000 0.882 559 L CB 0.339 42.650 42.059 0.419 0.000 1.133 559 L HN 0.570 nan 8.230 nan 0.000 0.483 560 G N 3.024 111.928 108.800 0.174 0.000 2.347 560 G HA2 -0.330 3.630 3.960 0.001 0.000 0.247 560 G HA3 -0.330 3.630 3.960 0.001 0.000 0.247 560 G C 1.216 176.162 174.900 0.077 0.000 1.037 560 G CA 0.541 45.700 45.100 0.097 0.000 0.622 560 G HN 0.645 nan 8.290 nan 0.000 0.521 561 K N 0.146 120.588 120.400 0.069 0.000 2.323 561 K HA 0.305 4.625 4.320 0.001 0.000 0.197 561 K C 0.415 177.058 176.600 0.072 0.000 1.043 561 K CA 0.664 56.976 56.287 0.041 0.000 0.997 561 K CB 0.210 32.704 32.500 -0.010 0.000 0.807 561 K HN 0.313 nan 8.250 nan 0.000 0.497 562 S N 0.048 115.822 115.700 0.125 0.000 2.532 562 S HA 0.214 4.685 4.470 0.001 0.000 0.299 562 S C 0.224 174.936 174.600 0.187 0.000 1.105 562 S CA -0.644 57.647 58.200 0.151 0.000 1.018 562 S CB 1.774 65.071 63.200 0.162 0.000 1.021 562 S HN 0.233 nan 8.310 nan 0.000 0.483 563 N N 2.748 121.529 118.700 0.135 0.000 2.250 563 N HA -0.033 4.707 4.740 0.001 0.000 0.181 563 N C 1.028 176.613 175.510 0.125 0.000 1.017 563 N CA 0.745 53.865 53.050 0.117 0.000 0.866 563 N CB 0.009 38.547 38.487 0.085 0.000 0.985 563 N HN 0.545 nan 8.380 nan 0.000 0.429 564 N N -0.853 117.926 118.700 0.131 0.000 2.494 564 N HA -0.025 4.716 4.740 0.001 0.000 0.182 564 N C -0.619 174.983 175.510 0.153 0.000 1.076 564 N CA 0.175 53.294 53.050 0.115 0.000 0.908 564 N CB 0.163 38.700 38.487 0.083 0.000 0.967 564 N HN 0.141 nan 8.380 nan 0.000 0.449 565 F N 1.657 121.630 119.950 0.037 0.000 2.404 565 F HA 0.358 4.886 4.527 0.001 0.000 0.345 565 F C -0.133 175.730 175.800 0.105 0.000 1.110 565 F CA -0.249 57.785 58.000 0.057 0.000 1.130 565 F CB 0.633 39.643 39.000 0.017 0.000 1.129 565 F HN -0.118 nan 8.300 nan 0.000 0.500 566 Q N 4.175 123.713 119.800 -0.437 0.000 2.482 566 Q HA 0.267 4.608 4.340 0.001 0.000 0.286 566 Q C -1.442 174.424 176.000 -0.224 0.000 1.007 566 Q CA -1.300 54.389 55.803 -0.189 0.000 0.801 566 Q CB 2.989 31.692 28.738 -0.058 0.000 1.455 566 Q HN 0.641 nan 8.270 nan 0.000 0.398 567 K N 0.562 120.931 120.400 -0.051 0.000 2.172 567 K HA 0.575 4.896 4.320 0.001 0.000 0.276 567 K C -2.542 174.057 176.600 -0.002 0.000 1.013 567 K CA -1.686 54.618 56.287 0.029 0.000 0.913 567 K CB 0.766 33.281 32.500 0.024 0.000 1.055 567 K HN 0.114 nan 8.250 nan 0.000 0.461 568 P HA -0.003 nan 4.420 nan 0.000 0.269 568 P C -0.993 176.290 177.300 -0.028 0.000 1.215 568 P CA -0.301 62.782 63.100 -0.028 0.000 0.780 568 P CB 0.479 32.150 31.700 -0.049 0.000 0.898 569 K N 3.193 123.573 120.400 -0.032 0.000 2.250 569 K HA 0.160 4.481 4.320 0.001 0.000 0.285 569 K C -1.608 174.973 176.600 -0.032 0.000 1.097 569 K CA -1.560 54.712 56.287 -0.026 0.000 0.913 569 K CB 0.592 33.081 32.500 -0.017 0.000 1.179 569 K HN 0.299 nan 8.250 nan 0.000 0.462 570 P HA -0.049 nan 4.420 nan 0.000 0.225 570 P C -0.291 177.001 177.300 -0.014 0.000 1.156 570 P CA 0.514 63.595 63.100 -0.031 0.000 0.787 570 P CB 0.429 32.110 31.700 -0.032 0.000 0.802 571 A N -1.162 121.653 122.820 -0.009 0.000 2.354 571 A HA 0.762 5.083 4.320 0.001 0.000 0.321 571 A C 0.214 177.800 177.584 0.003 0.000 1.125 571 A CA -0.279 51.758 52.037 -0.000 0.000 0.799 571 A CB 1.679 20.679 19.000 -0.000 0.000 1.293 571 A HN -0.063 nan 8.150 nan 0.000 0.452 572 K N -0.968 119.436 120.400 0.008 0.000 8.038 572 K HA -0.086 4.234 4.320 0.001 0.000 0.228 572 K C 0.900 177.510 176.600 0.016 0.000 1.590 572 K CA 0.182 56.476 56.287 0.011 0.000 0.932 572 K CB -1.037 31.468 32.500 0.009 0.000 0.482 572 K HN 1.009 nan 8.250 nan 0.000 0.444 573 G N 1.838 110.650 108.800 0.021 0.000 3.088 573 G HA2 0.138 4.099 3.960 0.001 0.000 0.217 573 G HA3 0.138 4.099 3.960 0.001 0.000 0.217 573 G C -0.100 174.827 174.900 0.045 0.000 1.159 573 G CA 0.078 45.196 45.100 0.030 0.000 0.760 573 G HN 0.081 nan 8.290 nan 0.000 0.550 574 K N -0.225 120.198 120.400 0.038 0.000 2.126 574 K HA 0.545 4.866 4.320 0.001 0.000 0.257 574 K C 0.932 177.574 176.600 0.069 0.000 1.007 574 K CA 0.054 56.373 56.287 0.053 0.000 0.928 574 K CB 1.669 34.179 32.500 0.016 0.000 1.013 574 K HN 0.002 nan 8.250 nan 0.000 0.473 575 A N 1.236 124.130 122.820 0.122 0.000 2.108 575 A HA 0.085 4.405 4.320 0.001 0.000 0.206 575 A C 0.526 178.177 177.584 0.111 0.000 1.212 575 A CA 0.693 52.811 52.037 0.135 0.000 0.843 575 A CB 0.301 19.436 19.000 0.225 0.000 0.902 575 A HN 0.799 nan 8.150 nan 0.000 0.477 576 E N -2.462 117.794 120.200 0.094 0.000 2.394 576 E HA 0.620 4.971 4.350 0.001 0.000 0.266 576 E C -1.630 174.907 176.600 -0.106 0.000 1.065 576 E CA -0.483 55.920 56.400 0.004 0.000 0.885 576 E CB 1.477 31.188 29.700 0.018 0.000 1.659 576 E HN 0.291 nan 8.360 nan 0.000 0.462 577 A N 0.530 123.192 122.820 -0.263 0.000 2.324 577 A HA 0.672 4.993 4.320 0.001 0.000 0.330 577 A C -0.636 176.464 177.584 -0.807 0.000 1.165 577 A CA -0.094 51.746 52.037 -0.329 0.000 0.813 577 A CB 0.614 19.491 19.000 -0.206 0.000 1.197 577 A HN 0.752 nan 8.150 nan 0.000 0.484 578 H N 0.588 119.655 119.070 -0.005 0.000 1.718 578 H HA 0.157 4.714 4.556 0.002 0.000 0.132 578 H C -0.834 174.578 175.328 0.140 0.000 1.127 578 H CA 0.984 57.059 56.048 0.044 0.000 0.969 578 H CB 0.484 30.227 29.762 -0.031 0.000 0.595 578 H HN 0.992 nan 8.280 nan 0.000 0.274 579 F N 1.383 121.342 119.950 0.015 0.000 2.680 579 F HA 0.577 5.105 4.527 0.001 0.000 0.315 579 F C -1.596 174.181 175.800 -0.039 0.000 1.099 579 F CA -1.062 56.862 58.000 -0.125 0.000 1.033 579 F CB 1.032 39.849 39.000 -0.306 0.000 1.285 579 F HN -0.020 nan 8.300 nan 0.000 0.457 580 S N 3.431 119.126 115.700 -0.009 0.000 2.593 580 S HA 0.899 5.370 4.470 0.001 0.000 0.297 580 S C -1.238 173.439 174.600 0.128 0.000 1.112 580 S CA -0.761 57.440 58.200 0.001 0.000 1.043 580 S CB 2.262 65.441 63.200 -0.034 0.000 1.054 580 S HN 0.748 nan 8.310 nan 0.000 0.516 581 L N 1.226 122.580 121.223 0.219 0.000 2.354 581 L HA 0.579 4.920 4.340 0.001 0.000 0.264 581 L C -0.832 176.131 176.870 0.155 0.000 1.008 581 L CA -0.616 54.345 54.840 0.203 0.000 0.819 581 L CB 2.301 44.518 42.059 0.264 0.000 1.339 581 L HN 0.632 nan 8.230 nan 0.000 0.420 582 V N 3.027 122.985 119.914 0.072 0.000 2.217 582 V HA 0.314 4.435 4.120 0.001 0.000 0.264 582 V C 0.145 176.291 176.094 0.087 0.000 1.107 582 V CA -0.656 61.702 62.300 0.096 0.000 0.913 582 V CB -0.367 31.504 31.823 0.080 0.000 1.153 582 V HN 0.573 nan 8.190 nan 0.000 0.469 583 H N 2.682 121.835 119.070 0.138 0.000 2.544 583 H HA 0.103 4.659 4.556 0.001 0.000 0.365 583 H C 1.190 176.474 175.328 -0.074 0.000 1.268 583 H CA 0.226 56.329 56.048 0.091 0.000 1.400 583 H CB 1.236 31.129 29.762 0.218 0.000 1.538 583 H HN 0.666 nan 8.280 nan 0.000 0.597 584 Y N -0.028 120.339 120.300 0.112 0.000 2.165 584 Y HA -0.164 4.387 4.550 0.002 0.000 0.286 584 Y C 2.213 178.028 175.900 -0.141 0.000 1.155 584 Y CA 1.084 59.176 58.100 -0.014 0.000 1.164 584 Y CB -0.909 37.543 38.460 -0.012 0.000 0.978 584 Y HN 0.528 nan 8.280 nan 0.000 0.513 585 A N 0.519 122.742 122.820 -0.994 0.000 2.015 585 A HA 0.431 4.752 4.320 0.001 0.000 0.219 585 A C 1.583 178.956 177.584 -0.351 0.000 1.163 585 A CA 1.329 52.905 52.037 -0.768 0.000 0.646 585 A CB -1.111 16.957 19.000 -1.554 0.000 0.806 585 A HN 0.984 nan 8.150 nan 0.000 0.448 586 G N -2.867 105.802 108.800 -0.219 0.000 2.350 586 G HA2 0.330 4.291 3.960 0.001 0.000 0.276 586 G HA3 0.330 4.291 3.960 0.001 0.000 0.276 586 G C -0.774 174.193 174.900 0.111 0.000 1.313 586 G CA -0.107 44.981 45.100 -0.020 0.000 0.903 586 G HN 0.200 nan 8.290 nan 0.000 0.490 587 T N 0.643 115.251 114.554 0.089 0.000 2.743 587 T HA 0.549 4.900 4.350 0.001 0.000 0.293 587 T C -0.058 174.672 174.700 0.049 0.000 0.945 587 T CA -0.100 62.059 62.100 0.097 0.000 1.030 587 T CB 1.199 70.092 68.868 0.041 0.000 0.912 587 T HN 0.728 nan 8.240 nan 0.000 0.483 588 V N 4.431 124.377 119.914 0.054 0.000 2.417 588 V HA 0.316 4.437 4.120 0.001 0.000 0.291 588 V C -0.131 175.721 176.094 -0.403 0.000 1.024 588 V CA -1.026 61.119 62.300 -0.260 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 4.282 124.431 120.400 -0.418 0.000 2.347 589 D HA 0.326 4.966 4.640 0.001 0.000 0.235 589 D C -0.931 175.078 176.300 -0.486 0.000 1.149 589 D CA 0.112 53.905 54.000 -0.345 0.000 0.850 589 D CB 1.175 41.860 40.800 -0.192 0.000 1.061 589 D HN 0.440 nan 8.370 nan 0.000 0.487 590 Y N 1.288 121.305 120.300 -0.471 0.000 2.342 590 Y HA 0.169 4.719 4.550 0.001 0.000 0.334 590 Y C 1.008 176.657 175.900 -0.418 0.000 1.067 590 Y CA -0.874 56.903 58.100 -0.538 0.000 1.128 590 Y CB 1.192 39.153 38.460 -0.832 0.000 1.200 590 Y HN 0.207 nan 8.280 nan 0.000 0.464 591 N N 3.955 122.597 118.700 -0.096 0.000 2.424 591 N HA 0.276 5.016 4.740 0.001 0.000 0.271 591 N C -1.104 174.229 175.510 -0.295 0.000 0.985 591 N CA -0.306 52.749 53.050 0.008 0.000 0.921 591 N CB 0.789 39.218 38.487 -0.096 0.000 1.149 591 N HN 0.750 nan 8.380 nan 0.000 0.492 592 I N 2.863 122.897 120.570 -0.895 0.000 2.261 592 I HA 0.050 4.220 4.170 0.001 0.000 0.285 592 I C 0.198 175.819 176.117 -0.827 0.000 1.113 592 I CA -0.227 60.169 61.300 -1.506 0.000 1.377 592 I CB 0.042 37.385 38.000 -1.095 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.296 117.830 115.700 -0.276 0.000 2.652 593 S HA 0.693 5.163 4.470 0.001 0.000 0.252 593 S C 0.277 175.050 174.600 0.287 0.000 1.219 593 S CA 0.079 58.304 58.200 0.042 0.000 1.151 593 S CB 1.282 64.533 63.200 0.085 0.000 1.080 593 S HN 0.804 nan 8.310 nan 0.000 0.481 594 G N 2.751 111.713 108.800 0.270 0.000 2.318 594 G HA2 -0.173 3.788 3.960 0.001 0.000 0.172 594 G HA3 -0.173 3.788 3.960 0.001 0.000 0.172 594 G C 0.573 175.581 174.900 0.180 0.000 1.002 594 G CA 0.084 45.309 45.100 0.208 0.000 0.697 594 G HN 0.564 nan 8.290 nan 0.000 0.483 595 W N 0.785 121.994 121.300 -0.152 0.000 2.317 595 W HA 0.113 4.775 4.660 0.003 0.000 0.318 595 W C 2.395 178.653 176.519 -0.434 0.000 1.227 595 W CA 1.489 58.620 57.345 -0.356 0.000 1.269 595 W CB -1.313 27.996 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 -0.080 0.000 1.997 596 L HA -0.197 4.144 4.340 0.001 0.000 0.216 596 L C 1.689 178.486 176.870 -0.122 0.000 1.074 596 L CA 1.741 56.484 54.840 -0.161 0.000 0.763 596 L CB -1.279 40.717 42.059 -0.104 0.000 0.890 596 L HN -0.080 nan 8.230 nan 0.000 0.434 602 P HA 0.369 nan 4.420 nan 0.000 0.271 602 P C -0.871 176.451 177.300 0.037 0.000 1.233 602 P CA -0.374 62.750 63.100 0.040 0.000 0.764 602 P CB 0.688 32.400 31.700 0.020 0.000 0.825 603 L N 2.994 124.236 121.223 0.033 0.000 2.436 603 L HA 0.316 4.657 4.340 0.001 0.000 0.268 603 L C 0.104 176.951 176.870 -0.039 0.000 0.974 603 L CA -0.840 54.002 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 2.168 120.827 118.700 -0.070 0.000 2.406 604 N HA -0.031 4.710 4.740 0.001 0.000 0.274 604 N C 0.623 176.044 175.510 -0.148 0.000 1.249 604 N CA 0.480 53.472 53.050 -0.097 0.000 0.951 604 N CB 0.496 38.923 38.487 -0.100 0.000 1.241 604 N HN 0.654 nan 8.380 nan 0.000 0.485 605 E N 1.616 121.752 120.200 -0.106 0.000 2.265 605 E HA -0.139 4.212 4.350 0.001 0.000 0.196 605 E C 0.918 177.434 176.600 -0.140 0.000 0.996 605 E CA 1.338 57.671 56.400 -0.112 0.000 0.832 605 E CB 0.171 29.848 29.700 -0.040 0.000 0.756 605 E HN 0.666 nan 8.360 nan 0.000 0.491 606 T N 0.110 114.586 114.554 -0.130 0.000 2.737 606 T HA -0.122 4.229 4.350 0.001 0.000 0.265 606 T C 2.047 176.631 174.700 -0.192 0.000 1.038 606 T CA 1.145 63.172 62.100 -0.122 0.000 1.144 606 T CB -0.158 68.659 68.868 -0.085 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.179 121.934 119.914 -0.265 0.000 2.287 607 V HA -0.159 3.962 4.120 0.001 0.000 0.248 607 V C 2.490 178.131 176.094 -0.755 0.000 1.053 607 V CA 1.420 63.460 62.300 -0.434 0.000 1.027 607 V CB -0.755 30.805 31.823 -0.437 0.000 0.646 607 V HN 0.496 nan 8.190 nan 0.000 0.447 608 I N 1.007 121.129 120.570 -0.746 0.000 2.315 608 I HA -0.232 3.939 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 1.788 62.592 61.300 -0.828 0.000 1.392 608 I CB -1.365 36.307 38.000 -0.546 0.000 1.065 608 I HN 0.462 nan 8.210 nan 0.000 0.424 609 G N 1.582 110.207 108.800 -0.291 0.000 2.459 609 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 609 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 609 G C 1.532 176.369 174.900 -0.105 0.000 1.183 609 G CA 0.449 45.466 45.100 -0.137 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N 0.005 121.142 121.223 -0.143 0.000 2.043 610 L HA -0.087 4.254 4.340 0.001 0.000 0.212 610 L C 2.719 179.634 176.870 0.074 0.000 1.075 610 L CA 0.919 55.735 54.840 -0.039 0.000 0.752 610 L CB -1.350 40.688 42.059 -0.034 0.000 0.891 610 L HN 0.235 nan 8.230 nan 0.000 0.432 611 Y N -0.242 119.989 120.300 -0.114 0.000 2.128 611 Y HA -0.155 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 -0.132 57.903 58.100 -0.107 0.000 1.149 611 Y CB -1.172 37.113 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 0.254 4.724 4.470 0.001 0.000 0.219 615 S C 0.725 175.311 174.600 -0.023 0.000 0.985 615 S CA 0.120 58.318 58.200 -0.003 0.000 0.914 615 S CB -0.120 63.080 63.200 -0.001 0.000 0.776 615 S HN 0.538 nan 8.310 nan 0.000 0.526 619 L N 2.876 123.938 121.223 -0.268 0.000 2.042 619 L HA 0.267 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 2.729 57.460 54.840 -0.181 0.000 0.749 619 L CB -0.948 41.013 42.059 -0.163 0.000 0.893 619 L HN 0.388 nan 8.230 nan 0.000 0.432 620 A N -0.675 122.122 122.820 -0.038 0.000 1.883 620 A HA -0.208 4.112 4.320 0.001 0.000 0.217 620 A C 2.238 179.847 177.584 0.041 0.000 1.186 620 A CA 2.055 54.116 52.037 0.039 0.000 0.624 620 A CB -0.967 18.043 19.000 0.017 0.000 0.822 620 A HN 0.448 nan 8.150 nan 0.000 0.444 621 L N -0.959 120.226 121.223 -0.062 0.000 1.970 621 L HA -0.194 4.147 4.340 0.001 0.000 0.212 621 L C 2.334 179.167 176.870 -0.061 0.000 1.071 621 L CA 1.592 56.386 54.840 -0.077 0.000 0.751 621 L CB -0.672 41.288 42.059 -0.164 0.000 0.889 621 L HN 0.319 nan 8.230 nan 0.000 0.432 622 L N -1.584 119.523 121.223 -0.194 0.000 2.171 622 L HA -0.294 4.047 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 1.900 56.602 54.840 -0.229 0.000 0.771 622 L CB -0.896 40.945 42.059 -0.365 0.000 0.890 622 L HN 0.164 nan 8.230 nan 0.000 0.437 623 F N -1.677 118.347 119.950 0.124 0.000 2.664 623 F HA 0.128 4.655 4.527 0.001 0.000 0.296 623 F C 2.189 178.169 175.800 0.300 0.000 1.125 623 F CA 0.466 58.634 58.000 0.280 0.000 1.444 623 F CB -0.548 38.566 39.000 0.191 0.000 1.114 623 F HN 0.015 nan 8.300 nan 0.000 0.576 624 A N -0.027 122.962 122.820 0.282 0.000 1.909 624 A HA -0.392 3.929 4.320 0.001 0.000 0.221 624 A C 2.338 180.008 177.584 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 -2.486 112.123 114.554 0.091 0.000 2.833 625 T HA -0.173 4.178 4.350 0.001 0.000 0.269 625 T C 1.681 176.341 174.700 -0.067 0.000 1.054 625 T CA 1.800 63.875 62.100 -0.041 0.000 1.135 625 T CB -0.490 68.296 68.868 -0.138 0.000 0.869 625 T HN 0.547 nan 8.240 nan 0.000 0.466 626 Y N 1.223 121.616 120.300 0.155 0.000 2.163 626 Y HA 0.177 4.728 4.550 0.001 0.000 0.288 626 Y C 2.993 178.957 175.900 0.108 0.000 1.136 626 Y CA 0.992 59.194 58.100 0.169 0.000 1.147 626 Y CB -0.980 37.645 38.460 0.274 0.000 0.987 626 Y HN 0.333 nan 8.280 nan 0.000 0.509 627 G N -0.439 108.526 108.800 0.275 0.000 2.432 627 G HA2 -0.189 3.772 3.960 0.001 0.000 0.219 627 G HA3 -0.189 3.772 3.960 0.001 0.000 0.219 627 G C 1.930 176.883 174.900 0.089 0.000 1.135 627 G CA 0.936 46.128 45.100 0.154 0.000 0.767 627 G HN 0.526 nan 8.290 nan 0.000 0.550 628 G N 0.114 108.954 108.800 0.066 0.000 2.511 628 G HA2 0.051 4.012 3.960 0.001 0.000 0.217 628 G HA3 0.051 4.012 3.960 0.001 0.000 0.217 628 G C 1.470 176.373 174.900 0.004 0.000 1.133 628 G CA 0.524 45.639 45.100 0.024 0.000 0.792 628 G HN 0.529 nan 8.290 nan 0.000 0.539 629 E N 0.333 120.534 120.200 0.001 0.000 2.447 629 E HA 0.237 4.588 4.350 0.001 0.000 0.195 629 E C 2.609 179.216 176.600 0.012 0.000 1.028 629 E CA 0.235 56.624 56.400 -0.019 0.000 0.876 629 E CB 0.215 29.880 29.700 -0.058 0.000 0.885 629 E HN 0.358 nan 8.360 nan 0.000 0.500 630 A N 1.723 124.565 122.820 0.038 0.000 2.024 630 A HA -0.260 4.061 4.320 0.001 0.000 0.220 630 A C 1.865 179.460 177.584 0.019 0.000 1.164 630 A CA 1.311 53.371 52.037 0.039 0.000 0.643 630 A CB -0.338 18.690 19.000 0.047 0.000 0.806 630 A HN 0.195 nan 8.150 nan 0.000 0.451 631 E N -0.706 119.501 120.200 0.011 0.000 2.097 631 E HA -0.186 4.165 4.350 0.001 0.000 0.196 631 E C 2.063 178.662 176.600 -0.001 0.000 1.000 631 E CA 0.984 57.386 56.400 0.003 0.000 0.804 631 E CB -0.418 29.281 29.700 -0.001 0.000 0.740 631 E HN 0.634 nan 8.360 nan 0.000 0.454 632 G N 0.435 109.232 108.800 -0.005 0.000 2.471 632 G HA2 -0.118 3.843 3.960 0.001 0.000 0.219 632 G HA3 -0.118 3.843 3.960 0.001 0.000 0.219 632 G C 1.047 175.943 174.900 -0.007 0.000 1.125 632 G CA 0.687 45.781 45.100 -0.010 0.000 0.775 632 G HN 0.329 nan 8.290 nan 0.000 0.548 633 G N -0.267 108.534 108.800 0.002 0.000 4.637 633 G HA2 0.434 4.395 3.960 0.001 0.000 0.294 633 G HA3 0.434 4.395 3.960 0.001 0.000 0.294 633 G C 1.087 175.990 174.900 0.006 0.000 1.215 633 G CA 0.646 45.749 45.100 0.005 0.000 0.943 633 G HN 0.333 nan 8.290 nan 0.000 0.572 634 G N 0.675 109.476 108.800 0.002 0.000 2.446 634 G HA2 0.234 4.195 3.960 0.001 0.000 0.217 634 G HA3 0.234 4.195 3.960 0.001 0.000 0.217 634 G C 0.937 175.837 174.900 -0.001 0.000 1.168 634 G CA 0.940 46.041 45.100 0.002 0.000 0.771 634 G HN 0.726 nan 8.290 nan 0.000 0.551 635 G N -0.825 107.973 108.800 -0.004 0.000 2.471 635 G HA2 0.522 4.483 3.960 0.001 0.000 0.332 635 G HA3 0.522 4.483 3.960 0.001 0.000 0.332 635 G C -0.559 174.336 174.900 -0.009 0.000 1.176 635 G CA -0.863 44.233 45.100 -0.007 0.000 0.949 635 G HN 0.250 nan 8.290 nan 0.000 0.488 636 K N 1.390 121.785 120.400 -0.009 0.000 2.511 636 K HA 0.220 4.541 4.320 0.001 0.000 0.280 636 K C -0.052 176.536 176.600 -0.020 0.000 1.008 636 K CA 0.824 57.105 56.287 -0.011 0.000 1.050 636 K CB 0.243 32.738 32.500 -0.009 0.000 0.889 636 K HN 0.658 nan 8.250 nan 0.000 0.484 637 K N -0.333 120.053 120.400 -0.023 0.000 7.478 637 K HA -0.115 4.206 4.320 0.001 0.000 1.018 637 K C 0.168 176.741 176.600 -0.046 0.000 1.997 637 K CA -0.009 56.252 56.287 -0.044 0.000 1.165 637 K CB -1.240 31.226 32.500 -0.056 0.000 2.198 637 K HN 0.978 nan 8.250 nan 0.000 0.323 638 G N -0.935 107.828 108.800 -0.062 0.000 2.482 638 G HA2 0.265 4.226 3.960 0.001 0.000 0.214 638 G HA3 0.265 4.226 3.960 0.001 0.000 0.214 638 G C -0.311 174.567 174.900 -0.038 0.000 1.271 638 G CA 0.042 45.111 45.100 -0.052 0.000 0.944 638 G HN 1.270 nan 8.290 nan 0.000 0.568 639 G N -0.626 108.160 108.800 -0.024 0.000 2.644 639 G HA2 0.614 4.575 3.960 0.001 0.000 0.300 639 G HA3 0.614 4.575 3.960 0.001 0.000 0.300 639 G C 0.475 175.372 174.900 -0.005 0.000 1.395 639 G CA 0.342 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 1.311 121.716 120.400 0.008 0.000 2.211 640 K HA -0.065 4.255 4.320 0.001 0.000 0.203 640 K C 2.045 178.634 176.600 -0.019 0.000 1.050 640 K CA 0.832 57.126 56.287 0.012 0.000 0.945 640 K CB 0.188 32.715 32.500 0.046 0.000 0.732 640 K HN 0.408 nan 8.250 nan 0.000 0.451 641 K N 1.135 121.518 120.400 -0.029 0.000 2.283 641 K HA -0.097 4.224 4.320 0.001 0.000 0.202 641 K C 1.680 178.246 176.600 -0.058 0.000 1.048 641 K CA 0.943 57.193 56.287 -0.062 0.000 0.948 641 K CB 0.018 32.492 32.500 -0.044 0.000 0.742 641 K HN 0.114 nan 8.250 nan 0.000 0.458 642 K N -0.051 120.326 120.400 -0.038 0.000 2.160 642 K HA -0.143 4.178 4.320 0.001 0.000 0.206 642 K C 1.848 178.426 176.600 -0.036 0.000 1.047 642 K CA 1.400 57.668 56.287 -0.031 0.000 0.930 642 K CB -0.069 32.419 32.500 -0.021 0.000 0.720 642 K HN 0.275 nan 8.250 nan 0.000 0.450 643 G N -0.466 108.309 108.800 -0.041 0.000 3.377 643 G HA2 0.057 4.018 3.960 0.001 0.000 0.257 643 G HA3 0.057 4.018 3.960 0.001 0.000 0.257 643 G C 0.136 174.995 174.900 -0.070 0.000 1.038 643 G CA 0.334 45.410 45.100 -0.040 0.000 0.809 643 G HN 0.186 nan 8.290 nan 0.000 0.526 644 S N -1.237 114.398 115.700 -0.108 0.000 2.872 644 S HA -0.211 4.260 4.470 0.001 0.000 0.270 644 S C 0.453 174.881 174.600 -0.286 0.000 1.345 644 S CA 0.432 58.519 58.200 -0.188 0.000 1.080 644 S CB -2.675 60.428 63.200 -0.162 0.000 1.328 644 S HN 1.638 nan 8.310 nan 0.000 0.692 645 S N 0.837 116.420 115.700 -0.196 0.000 2.586 645 S HA 0.763 5.233 4.470 0.001 0.000 0.274 645 S C 0.050 174.538 174.600 -0.188 0.000 1.281 645 S CA -0.827 57.274 58.200 -0.165 0.000 1.035 645 S CB 0.212 63.424 63.200 0.019 0.000 0.962 645 S HN 0.376 nan 8.310 nan 0.000 0.512 646 F N 1.472 121.425 119.950 0.005 0.000 2.518 646 F HA 0.209 4.737 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 0.038 58.048 58.000 0.017 0.000 1.287 646 F CB 0.472 39.489 39.000 0.029 0.000 1.132 646 F HN 0.706 nan 8.300 nan 0.000 0.587 647 Q N 0.084 119.999 119.800 0.192 0.000 2.392 647 Q HA 0.103 4.444 4.340 0.001 0.000 0.219 647 Q C 0.373 176.443 176.000 0.117 0.000 0.895 647 Q CA 0.403 56.278 55.803 0.119 0.000 0.929 647 Q CB 0.897 29.678 28.738 0.073 0.000 1.077 647 Q HN 0.675 nan 8.270 nan 0.000 0.532 648 T N -0.796 113.845 114.554 0.145 0.000 2.900 648 T HA 0.245 4.596 4.350 0.001 0.000 0.295 648 T C 0.122 174.875 174.700 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 0.081 0.000 1.072 648 T HN -0.180 nan 8.240 nan 0.000 0.473 649 V N 3.481 123.414 119.914 0.033 0.000 3.592 649 V HA 0.090 4.211 4.120 0.001 0.000 0.272 649 V C 1.473 177.644 176.094 0.129 0.000 1.228 649 V CA 1.919 64.248 62.300 0.047 0.000 1.173 649 V CB -0.466 31.344 31.823 -0.021 0.000 0.873 649 V HN 0.981 nan 8.190 nan 0.000 0.476 650 S N -2.526 113.229 115.700 0.091 0.000 2.546 650 S HA 0.243 4.714 4.470 0.001 0.000 0.282 650 S C 1.771 176.356 174.600 -0.025 0.000 1.074 650 S CA 0.524 58.714 58.200 -0.017 0.000 1.254 650 S CB 0.206 63.295 63.200 -0.186 0.000 1.103 650 S HN 0.372 nan 8.310 nan 0.000 0.589 651 A N 2.278 125.133 122.820 0.058 0.000 1.940 651 A HA 0.146 4.467 4.320 0.001 0.000 0.219 651 A C 2.049 179.710 177.584 0.128 0.000 1.176 651 A CA 1.629 53.724 52.037 0.096 0.000 0.631 651 A CB -0.784 18.311 19.000 0.158 0.000 0.814 651 A HN 0.496 nan 8.150 nan 0.000 0.446 652 L N -2.628 118.706 121.223 0.186 0.000 2.071 652 L HA 0.004 4.345 4.340 0.001 0.000 0.201 652 L C 2.299 179.262 176.870 0.155 0.000 1.076 652 L CA 1.145 56.104 54.840 0.199 0.000 0.755 652 L CB -0.700 41.487 42.059 0.215 0.000 0.915 652 L HN 0.409 nan 8.230 nan 0.000 0.445 653 F N 1.387 121.349 119.950 0.020 0.000 2.076 653 F HA -0.399 4.129 4.527 0.001 0.000 0.294 653 F C 2.580 178.402 175.800 0.036 0.000 1.078 653 F CA 1.969 59.977 58.000 0.014 0.000 1.247 653 F CB -0.440 38.512 39.000 -0.079 0.000 0.984 653 F HN -0.076 nan 8.300 nan 0.000 0.491 654 R N -0.083 120.279 120.500 -0.230 0.000 2.070 654 R HA -0.178 4.162 4.340 0.001 0.000 0.233 654 R C 2.273 178.490 176.300 -0.138 0.000 1.137 654 R CA 1.798 57.768 56.100 -0.216 0.000 0.945 654 R CB -0.735 29.539 30.300 -0.043 0.000 0.845 654 R HN 0.403 nan 8.270 nan 0.000 0.430 655 E N 0.299 120.478 120.200 -0.035 0.000 2.118 655 E HA -0.202 4.149 4.350 0.001 0.000 0.195 655 E C 1.477 178.077 176.600 -0.001 0.000 0.992 655 E CA 1.634 58.037 56.400 0.004 0.000 0.804 655 E CB 0.023 29.757 29.700 0.056 0.000 0.741 655 E HN 0.375 nan 8.360 nan 0.000 0.458 656 N N -0.418 118.290 118.700 0.014 0.000 2.135 656 N HA -0.122 4.619 4.740 0.001 0.000 0.186 656 N C 1.614 177.109 175.510 -0.024 0.000 1.027 656 N CA 0.492 53.595 53.050 0.087 0.000 0.849 656 N CB -0.049 38.583 38.487 0.242 0.000 1.002 656 N HN 0.071 nan 8.380 nan 0.000 0.425 657 L N 1.207 122.285 121.223 -0.241 0.000 2.450 657 L HA 0.051 4.392 4.340 0.001 0.000 0.224 657 L C -0.100 176.604 176.870 -0.276 0.000 1.149 657 L CA 1.201 55.799 54.840 -0.403 0.000 0.816 657 L CB -0.697 40.963 42.059 -0.665 0.000 0.932 657 L HN 0.067 nan 8.230 nan 0.000 0.449 661 M N 0.891 120.301 119.600 -0.317 0.000 2.435 661 M HA 0.019 4.500 4.480 0.001 0.000 0.262 661 M C 1.952 178.098 176.300 -0.257 0.000 1.065 661 M CA 1.635 56.724 55.300 -0.353 0.000 1.076 661 M CB -1.270 31.144 32.600 -0.311 0.000 1.403 661 M HN 0.568 nan 8.290 nan 0.000 0.454 662 A N -0.229 122.502 122.820 -0.149 0.000 1.943 662 A HA -0.045 4.276 4.320 0.001 0.000 0.213 662 A C 2.006 179.586 177.584 -0.007 0.000 1.181 662 A CA 0.925 52.925 52.037 -0.061 0.000 0.653 662 A CB -0.356 18.632 19.000 -0.021 0.000 0.833 662 A HN 0.379 nan 8.150 nan 0.000 0.451 663 N N -0.159 118.541 118.700 0.000 0.000 2.270 663 N HA -0.055 4.686 4.740 0.001 0.000 0.181 663 N C 1.387 176.991 175.510 0.157 0.000 1.016 663 N CA 0.758 53.897 53.050 0.148 0.000 0.870 663 N CB -0.238 38.370 38.487 0.202 0.000 0.979 663 N HN 0.275 nan 8.380 nan 0.000 0.431 664 L N 1.472 122.649 121.223 -0.077 0.000 2.141 664 L HA 0.008 4.349 4.340 0.001 0.000 0.209 664 L C 2.168 179.004 176.870 -0.056 0.000 1.094 664 L CA 1.189 55.917 54.840 -0.186 0.000 0.763 664 L CB -0.351 41.329 42.059 -0.631 0.000 0.908 664 L HN 0.084 nan 8.230 nan 0.000 0.437 665 R N -1.002 119.484 120.500 -0.024 0.000 2.062 665 R HA -0.006 4.335 4.340 0.001 0.000 0.229 665 R C 1.589 177.982 176.300 0.154 0.000 1.128 665 R CA 1.355 57.539 56.100 0.140 0.000 0.960 665 R CB -0.510 29.842 30.300 0.085 0.000 0.855 665 R HN 0.365 nan 8.270 nan 0.000 0.432 666 S N 0.735 116.511 115.700 0.127 0.000 3.009 666 S HA 0.059 4.530 4.470 0.001 0.000 0.243 666 S C 0.047 174.696 174.600 0.081 0.000 1.012 666 S CA 0.095 58.366 58.200 0.118 0.000 1.113 666 S CB 0.022 63.315 63.200 0.154 0.000 0.827 666 S HN 0.089 nan 8.310 nan 0.000 0.495 667 T N 1.202 115.813 114.554 0.095 0.000 2.906 667 T HA 0.270 4.621 4.350 0.001 0.000 0.295 667 T C -0.918 173.838 174.700 0.092 0.000 1.061 667 T CA -0.663 61.467 62.100 0.049 0.000 1.000 667 T CB 1.425 70.353 68.868 0.099 0.000 1.103 667 T HN 0.478 nan 8.240 nan 0.000 0.486 668 H N 3.915 122.913 119.070 -0.119 0.000 2.872 668 H HA 0.280 4.837 4.556 0.001 0.000 0.273 668 H C -2.354 172.735 175.328 -0.399 0.000 1.205 668 H CA -2.547 53.360 56.048 -0.234 0.000 1.342 668 H CB 0.544 30.146 29.762 -0.266 0.000 1.469 668 H HN 0.164 nan 8.280 nan 0.000 0.487 669 P HA -0.012 nan 4.420 nan 0.000 0.267 669 P C -0.881 175.801 177.300 -1.030 0.000 1.205 669 P CA 0.497 63.204 63.100 -0.655 0.000 0.765 669 P CB 0.653 31.872 31.700 -0.802 0.000 0.828 670 H N 2.860 121.559 119.070 -0.617 0.000 2.658 670 H HA 0.341 4.898 4.556 0.001 0.000 0.337 670 H C -0.475 174.653 175.328 -0.333 0.000 1.009 670 H CA -0.303 55.515 56.048 -0.384 0.000 1.231 670 H CB 0.627 30.251 29.762 -0.229 0.000 1.508 670 H HN 0.281 nan 8.280 nan 0.000 0.517 671 F N 1.903 121.983 119.950 0.216 0.000 2.421 671 F HA 0.418 4.946 4.527 0.001 0.000 0.337 671 F C 0.307 176.275 175.800 0.280 0.000 1.105 671 F CA -0.771 57.395 58.000 0.276 0.000 1.049 671 F CB 1.593 40.831 39.000 0.398 0.000 1.139 671 F HN 0.090 nan 8.300 nan 0.000 0.479 672 V N 3.972 124.121 119.914 0.391 0.000 2.524 672 V HA 0.519 4.640 4.120 0.001 0.000 0.297 672 V C -0.735 175.445 176.094 0.143 0.000 1.035 672 V CA -0.898 61.544 62.300 0.236 0.000 0.867 672 V CB 1.664 33.568 31.823 0.134 0.000 1.004 672 V HN 0.502 nan 8.190 nan 0.000 0.426 673 R N 2.546 123.079 120.500 0.056 0.000 2.288 673 R HA 0.554 4.895 4.340 0.001 0.000 0.326 673 R C -0.794 175.479 176.300 -0.044 0.000 0.959 673 R CA -0.685 55.367 56.100 -0.080 0.000 0.834 673 R CB 1.125 31.232 30.300 -0.323 0.000 1.157 673 R HN 0.714 nan 8.270 nan 0.000 0.470 674 C N 4.364 123.647 119.300 -0.028 0.000 2.369 674 C HA 0.574 5.035 4.460 0.001 0.000 0.358 674 C C 0.750 175.703 174.990 -0.061 0.000 1.274 674 C CA -0.614 58.389 59.018 -0.024 0.000 1.935 674 C CB -0.256 27.486 27.740 0.004 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.228 123.743 120.570 -0.092 0.000 2.740 675 I HA 0.518 4.689 4.170 0.001 0.000 0.303 675 I C -0.255 175.775 176.117 -0.146 0.000 1.044 675 I CA -0.313 60.914 61.300 -0.122 0.000 1.064 675 I CB 1.471 39.375 38.000 -0.161 0.000 1.249 675 I HN 0.577 nan 8.210 nan 0.000 0.433 676 I N 7.492 127.996 120.570 -0.111 0.000 2.420 676 I HA 0.361 4.532 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 58.903 61.300 -0.077 0.000 1.130 676 I CB 2.063 40.071 38.000 0.014 0.000 1.262 676 I HN 0.378 nan 8.210 nan 0.000 0.454 677 P HA -0.107 nan 4.420 nan 0.000 0.211 677 P C -0.821 176.503 177.300 0.040 0.000 1.179 677 P CA 1.304 64.349 63.100 -0.092 0.000 0.910 677 P CB -0.073 31.579 31.700 -0.080 0.000 0.785 678 N N -2.440 116.355 118.700 0.159 0.000 2.287 678 N HA 0.193 4.934 4.740 0.001 0.000 0.289 678 N C 0.165 175.739 175.510 0.107 0.000 1.066 678 N CA -0.781 52.336 53.050 0.112 0.000 0.841 678 N CB 1.039 39.591 38.487 0.110 0.000 1.599 678 N HN -0.186 nan 8.380 nan 0.000 0.476 679 E N -0.117 120.112 120.200 0.048 0.000 2.219 679 E HA -0.171 4.180 4.350 0.001 0.000 0.198 679 E C 0.574 177.165 176.600 -0.015 0.000 0.998 679 E CA 1.625 58.039 56.400 0.022 0.000 0.818 679 E CB -0.103 29.600 29.700 0.005 0.000 0.741 679 E HN 0.837 nan 8.360 nan 0.000 0.477 683 P HA 0.402 nan 4.420 nan 0.000 0.272 683 P C 1.099 178.545 177.300 0.243 0.000 1.230 683 P CA 0.653 63.987 63.100 0.391 0.000 0.788 683 P CB 0.275 32.192 31.700 0.363 0.000 0.949 684 G N -0.408 108.348 108.800 -0.073 0.000 2.187 684 G HA2 -0.055 3.906 3.960 0.001 0.000 0.261 684 G HA3 -0.055 3.906 3.960 0.001 0.000 0.261 684 G C 0.265 175.029 174.900 -0.226 0.000 1.000 684 G CA 0.369 45.084 45.100 -0.641 0.000 0.718 684 G HN 0.900 nan 8.290 nan 0.000 0.519 685 A N -1.244 121.707 122.820 0.220 0.000 2.430 685 A HA 0.990 5.311 4.320 0.001 0.000 0.300 685 A C -0.447 177.325 177.584 0.313 0.000 1.124 685 A CA -0.059 52.119 52.037 0.235 0.000 0.766 685 A CB 1.861 20.942 19.000 0.136 0.000 1.328 685 A HN 1.343 nan 8.150 nan 0.000 0.424 686 M N 1.110 120.795 119.600 0.141 0.000 2.255 686 M HA 0.327 4.808 4.480 0.001 0.000 0.275 686 M C -1.508 174.807 176.300 0.025 0.000 1.050 686 M CA 0.084 55.426 55.300 0.069 0.000 0.978 686 M CB 1.708 34.345 32.600 0.061 0.000 1.761 686 M HN 0.772 nan 8.290 nan 0.000 0.479 687 E N 3.099 123.305 120.200 0.009 0.000 2.331 687 E HA 0.201 4.551 4.350 0.001 0.000 0.272 687 E C -0.028 176.609 176.600 0.063 0.000 1.036 687 E CA -0.347 56.035 56.400 -0.031 0.000 0.864 687 E CB 0.971 30.652 29.700 -0.031 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.939 120.965 119.070 -0.074 0.000 2.312 688 H HA -0.155 4.402 4.556 0.001 0.000 0.299 688 H C 1.948 177.250 175.328 -0.045 0.000 1.051 688 H CA 0.977 56.971 56.048 -0.089 0.000 1.227 688 H CB 0.192 29.900 29.762 -0.090 0.000 1.389 688 H HN 0.666 nan 8.280 nan 0.000 0.524 689 E N 1.335 121.624 120.200 0.149 0.000 2.273 689 E HA -0.205 4.145 4.350 0.001 0.000 0.198 689 E C 2.205 178.895 176.600 0.151 0.000 1.002 689 E CA 0.879 57.351 56.400 0.121 0.000 0.828 689 E CB -0.113 29.645 29.700 0.096 0.000 0.747 689 E HN 0.378 nan 8.360 nan 0.000 0.491 690 L N 0.067 121.338 121.223 0.081 0.000 2.044 690 L HA -0.128 4.212 4.340 0.001 0.000 0.205 690 L C 2.317 179.220 176.870 0.055 0.000 1.075 690 L CA 1.055 55.924 54.840 0.047 0.000 0.747 690 L CB -0.129 41.934 42.059 0.007 0.000 0.903 690 L HN -0.033 nan 8.230 nan 0.000 0.435 691 V N 0.014 119.940 119.914 0.020 0.000 2.427 691 V HA -0.259 3.862 4.120 0.001 0.000 0.248 691 V C 2.553 178.633 176.094 -0.024 0.000 1.051 691 V CA 1.772 64.054 62.300 -0.031 0.000 1.048 691 V CB -0.604 31.170 31.823 -0.082 0.000 0.666 691 V HN 0.424 nan 8.190 nan 0.000 0.456 692 L N -0.733 120.490 121.223 -0.000 0.000 2.013 692 L HA -0.262 4.078 4.340 0.001 0.000 0.212 692 L C 2.584 179.421 176.870 -0.056 0.000 1.073 692 L CA 2.002 56.826 54.840 -0.028 0.000 0.753 692 L CB -0.685 41.375 42.059 0.003 0.000 0.890 692 L HN 0.390 nan 8.230 nan 0.000 0.432 693 H N -0.094 118.950 119.070 -0.042 0.000 2.251 693 H HA -0.236 4.321 4.556 0.001 0.000 0.294 693 H C 2.422 177.715 175.328 -0.058 0.000 1.078 693 H CA 2.229 58.251 56.048 -0.044 0.000 1.246 693 H CB -0.122 29.617 29.762 -0.038 0.000 1.358 693 H HN 0.349 nan 8.280 nan 0.000 0.488 694 Q N -0.342 119.509 119.800 0.085 0.000 2.112 694 Q HA -0.192 4.149 4.340 0.001 0.000 0.206 694 Q C 2.262 178.219 176.000 -0.072 0.000 0.987 694 Q CA 1.499 57.302 55.803 0.001 0.000 0.858 694 Q CB -0.354 28.369 28.738 -0.026 0.000 0.905 694 Q HN 0.319 nan 8.270 nan 0.000 0.420 695 L N 0.931 122.099 121.223 -0.092 0.000 2.127 695 L HA -0.191 4.150 4.340 0.001 0.000 0.211 695 L C 2.400 179.192 176.870 -0.130 0.000 1.089 695 L CA 1.762 56.523 54.840 -0.131 0.000 0.757 695 L CB -0.419 41.568 42.059 -0.120 0.000 0.899 695 L HN 0.170 nan 8.230 nan 0.000 0.434 696 R N -2.091 118.338 120.500 -0.118 0.000 2.075 696 R HA -0.027 4.314 4.340 0.001 0.000 0.226 696 R C 2.135 178.399 176.300 -0.059 0.000 1.114 696 R CA 1.494 57.531 56.100 -0.104 0.000 0.972 696 R CB -0.853 29.355 30.300 -0.153 0.000 0.869 696 R HN 0.327 nan 8.270 nan 0.000 0.437 697 C N 0.676 119.933 119.300 -0.073 0.000 2.539 697 C HA 0.104 4.565 4.460 0.001 0.000 0.268 697 C C 1.964 176.961 174.990 0.012 0.000 1.395 697 C CA 0.035 59.026 59.018 -0.044 0.000 1.757 697 C CB -1.446 26.288 27.740 -0.011 0.000 1.851 697 C HN 0.525 nan 8.230 nan 0.000 0.545 698 N N 0.210 118.852 118.700 -0.097 0.000 2.173 698 N HA 0.104 4.845 4.740 0.001 0.000 0.184 698 N C 1.667 176.960 175.510 -0.362 0.000 1.025 698 N CA 1.292 54.207 53.050 -0.225 0.000 0.852 698 N CB 0.026 38.301 38.487 -0.353 0.000 0.998 698 N HN 0.551 nan 8.380 nan 0.000 0.427 699 G N -0.734 107.857 108.800 -0.349 0.000 2.255 699 G HA2 -0.215 3.746 3.960 0.001 0.000 0.196 699 G HA3 -0.215 3.746 3.960 0.001 0.000 0.196 699 G C 0.853 175.603 174.900 -0.250 0.000 0.998 699 G CA 0.171 45.039 45.100 -0.388 0.000 0.656 699 G HN 0.150 nan 8.290 nan 0.000 0.490 700 V N 0.754 120.432 119.914 -0.392 0.000 2.287 700 V HA -0.112 4.009 4.120 0.001 0.000 0.248 700 V C 2.695 178.797 176.094 0.013 0.000 1.053 700 V CA 2.317 64.534 62.300 -0.138 0.000 1.027 700 V CB -0.305 31.360 31.823 -0.262 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.674 120.511 121.223 -0.063 0.000 2.376 701 L HA -0.010 4.330 4.340 0.001 0.000 0.219 701 L C 2.257 179.115 176.870 -0.020 0.000 1.133 701 L CA 1.532 56.346 54.840 -0.043 0.000 0.816 701 L CB -0.788 41.233 42.059 -0.064 0.000 0.933 701 L HN 0.349 nan 8.230 nan 0.000 0.449 702 E N -1.123 119.067 120.200 -0.016 0.000 2.318 702 E HA 0.008 4.359 4.350 0.001 0.000 0.193 702 E C 1.961 178.578 176.600 0.029 0.000 0.998 702 E CA 0.692 57.087 56.400 -0.009 0.000 0.859 702 E CB 0.240 29.911 29.700 -0.049 0.000 0.812 702 E HN 0.482 nan 8.360 nan 0.000 0.492 703 G N 0.730 109.599 108.800 0.115 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 1.483 176.393 174.900 0.017 0.000 1.138 703 G CA 0.041 45.228 45.100 0.145 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.322 120.903 120.570 0.018 0.000 2.286 704 I HA 0.116 4.287 4.170 0.001 0.000 0.245 704 I C 2.694 178.780 176.117 -0.053 0.000 1.104 704 I CA 0.508 61.794 61.300 -0.023 0.000 1.397 704 I CB -0.330 37.656 38.000 -0.023 0.000 1.072 704 I HN -0.029 nan 8.210 nan 0.000 0.417 705 R N 0.441 120.912 120.500 -0.048 0.000 2.103 705 R HA -0.134 4.206 4.340 0.001 0.000 0.234 705 R C 2.261 178.507 176.300 -0.090 0.000 1.132 705 R CA 1.843 57.911 56.100 -0.052 0.000 0.925 705 R CB -0.613 29.667 30.300 -0.034 0.000 0.842 705 R HN 0.248 nan 8.270 nan 0.000 0.430 706 I N -0.317 120.148 120.570 -0.175 0.000 2.423 706 I HA -0.382 3.789 4.170 0.001 0.000 0.254 706 I C 2.185 178.146 176.117 -0.260 0.000 1.151 706 I CA 0.823 61.894 61.300 -0.383 0.000 1.421 706 I CB -0.222 37.384 38.000 -0.657 0.000 1.079 706 I HN 0.370 nan 8.210 nan 0.000 0.431 707 C N 0.583 119.796 119.300 -0.146 0.000 2.518 707 C HA -0.109 4.351 4.460 0.001 0.000 0.279 707 C C 2.817 177.798 174.990 -0.015 0.000 1.279 707 C CA 0.679 59.658 59.018 -0.065 0.000 1.703 707 C CB -0.885 26.812 27.740 -0.072 0.000 2.072 707 C HN 0.516 nan 8.230 nan 0.000 0.487 708 R N 0.908 121.378 120.500 -0.049 0.000 2.369 708 R HA -0.002 4.339 4.340 0.001 0.000 0.200 708 R C 0.178 176.455 176.300 -0.038 0.000 1.046 708 R CA 0.878 56.944 56.100 -0.057 0.000 1.057 708 R CB -0.366 29.885 30.300 -0.082 0.000 0.888 708 R HN 0.409 nan 8.270 nan 0.000 0.474 709 K N 1.087 121.493 120.400 0.009 0.000 2.290 709 K HA 0.293 4.614 4.320 0.001 0.000 0.250 709 K C -0.358 176.313 176.600 0.118 0.000 1.092 709 K CA 0.114 56.451 56.287 0.084 0.000 1.006 709 K CB 1.438 34.032 32.500 0.157 0.000 1.549 709 K HN 0.473 nan 8.250 nan 0.000 0.436 710 G N 1.647 110.294 108.800 -0.255 0.000 2.181 710 G HA2 -0.094 3.866 3.960 0.001 0.000 0.098 710 G HA3 -0.094 3.866 3.960 0.001 0.000 0.098 710 G C -1.518 172.974 174.900 -0.680 0.000 1.237 710 G CA -0.926 43.932 45.100 -0.404 0.000 1.238 710 G HN 0.268 nan 8.290 nan 0.000 0.468 711 F N 3.152 122.998 119.950 -0.173 0.000 2.363 711 F HA 0.480 5.008 4.527 0.001 0.000 0.366 711 F C -1.326 174.481 175.800 0.012 0.000 1.083 711 F CA -1.508 56.462 58.000 -0.051 0.000 1.176 711 F CB 1.993 41.022 39.000 0.049 0.000 1.432 711 F HN 0.125 nan 8.300 nan 0.000 0.482 712 P HA -0.136 nan 4.420 nan 0.000 0.203 712 P C 0.112 177.386 177.300 -0.044 0.000 0.967 712 P CA 0.995 64.067 63.100 -0.046 0.000 0.946 712 P CB -0.262 31.361 31.700 -0.128 0.000 0.690 713 S N 1.269 116.936 115.700 -0.056 0.000 2.544 713 S HA 0.127 4.598 4.470 0.001 0.000 0.290 713 S C 0.340 174.899 174.600 -0.069 0.000 1.276 713 S CA -0.228 57.930 58.200 -0.069 0.000 1.075 713 S CB -0.526 62.636 63.200 -0.064 0.000 0.849 713 S HN 0.179 nan 8.310 nan 0.000 0.494 714 R N 1.352 121.724 120.500 -0.213 0.000 2.473 714 R HA 0.525 4.866 4.340 0.001 0.000 0.303 714 R C -1.670 174.454 176.300 -0.293 0.000 1.002 714 R CA -0.821 54.998 56.100 -0.467 0.000 0.884 714 R CB 0.787 30.471 30.300 -1.027 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.476 124.283 119.914 -0.178 0.000 2.465 715 V HA 0.220 4.341 4.120 0.001 0.000 0.279 715 V C 0.370 176.331 176.094 -0.222 0.000 1.045 715 V CA -0.838 61.423 62.300 -0.065 0.000 0.938 715 V CB 1.502 33.445 31.823 0.201 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.439 125.601 121.223 -0.102 0.000 2.380 716 L HA 0.258 4.599 4.340 0.001 0.000 0.273 716 L C 0.864 177.766 176.870 0.053 0.000 1.138 716 L CA 0.234 55.021 54.840 -0.089 0.000 0.832 716 L CB 0.577 42.630 42.059 -0.011 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.310 123.668 120.300 0.096 0.000 2.062 717 Y HA -0.378 4.173 4.550 0.001 0.000 0.276 717 Y C 2.228 178.237 175.900 0.181 0.000 1.189 717 Y CA 2.103 60.289 58.100 0.143 0.000 1.130 717 Y CB -0.861 37.652 38.460 0.089 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.165 122.817 122.820 0.270 0.000 1.898 718 A HA -0.190 4.131 4.320 0.001 0.000 0.216 718 A C 1.815 179.482 177.584 0.138 0.000 1.181 718 A CA 1.909 54.036 52.037 0.150 0.000 0.620 718 A CB -0.931 18.127 19.000 0.097 0.000 0.819 718 A HN 0.447 nan 8.150 nan 0.000 0.442 719 D N -1.781 118.715 120.400 0.159 0.000 2.311 719 D HA -0.100 4.541 4.640 0.001 0.000 0.212 719 D C 1.300 177.722 176.300 0.204 0.000 0.972 719 D CA 1.002 55.088 54.000 0.143 0.000 0.887 719 D CB -0.159 40.718 40.800 0.130 0.000 0.915 719 D HN 0.521 nan 8.370 nan 0.000 0.497 720 F N 0.470 120.502 119.950 0.137 0.000 2.374 720 F HA 0.188 4.716 4.527 0.001 0.000 0.291 720 F C 1.914 177.847 175.800 0.221 0.000 1.084 720 F CA 0.574 58.699 58.000 0.208 0.000 1.413 720 F CB 0.206 39.314 39.000 0.180 0.000 1.099 720 F HN -0.304 nan 8.300 nan 0.000 0.534 721 K N 0.401 120.905 120.400 0.173 0.000 1.963 721 K HA -0.268 4.052 4.320 0.001 0.000 0.216 721 K C 2.171 178.716 176.600 -0.090 0.000 1.045 721 K CA 1.891 58.185 56.287 0.012 0.000 0.954 721 K CB -0.530 31.926 32.500 -0.072 0.000 0.732 721 K HN 0.296 nan 8.250 nan 0.000 0.442 722 Q N 0.703 120.451 119.800 -0.086 0.000 2.045 722 Q HA -0.309 4.032 4.340 0.001 0.000 0.215 722 Q C 2.057 177.970 176.000 -0.144 0.000 1.026 722 Q CA 2.291 58.041 55.803 -0.090 0.000 0.885 722 Q CB -0.224 28.481 28.738 -0.055 0.000 0.984 722 Q HN 0.177 nan 8.270 nan 0.000 0.414 723 R N -1.392 118.980 120.500 -0.215 0.000 2.152 723 R HA -0.126 4.215 4.340 0.001 0.000 0.232 723 R C 0.932 176.803 176.300 -0.715 0.000 1.117 723 R CA 1.600 57.420 56.100 -0.467 0.000 0.981 723 R CB 0.096 30.043 30.300 -0.589 0.000 0.870 723 R HN 0.525 nan 8.270 nan 0.000 0.451 724 Y N -1.798 118.300 120.300 -0.337 0.000 2.527 724 Y HA 0.233 4.784 4.550 0.001 0.000 0.247 724 Y C 1.823 177.599 175.900 -0.207 0.000 1.138 724 Y CA -0.510 57.385 58.100 -0.342 0.000 1.228 724 Y CB 0.121 38.209 38.460 -0.620 0.000 1.252 724 Y HN -0.140 nan 8.280 nan 0.000 0.531 725 R N 0.692 121.175 120.500 -0.027 0.000 2.159 725 R HA -0.211 4.130 4.340 0.001 0.000 0.252 725 R C 1.580 177.916 176.300 0.060 0.000 1.144 725 R CA 2.278 58.405 56.100 0.044 0.000 0.961 725 R CB -0.603 29.742 30.300 0.076 0.000 0.877 725 R HN 0.213 nan 8.270 nan 0.000 0.444 726 V N 1.363 121.290 119.914 0.022 0.000 2.764 726 V HA -0.254 3.866 4.120 0.001 0.000 0.261 726 V C 2.168 178.276 176.094 0.024 0.000 1.108 726 V CA 1.522 63.830 62.300 0.014 0.000 1.129 726 V CB -0.468 31.337 31.823 -0.030 0.000 0.701 726 V HN 0.333 nan 8.190 nan 0.000 0.495 727 L N -0.616 120.631 121.223 0.041 0.000 2.179 727 L HA 0.023 4.364 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 56.345 54.840 0.050 0.000 0.779 727 L CB -0.118 41.983 42.059 0.070 0.000 0.922 727 L HN 0.370 nan 8.230 nan 0.000 0.443 728 N N -1.289 117.450 118.700 0.066 0.000 2.595 728 N HA 0.149 4.890 4.740 0.001 0.000 0.291 728 N C 1.104 176.659 175.510 0.076 0.000 1.706 728 N CA 0.545 53.637 53.050 0.070 0.000 0.867 728 N CB 0.689 39.225 38.487 0.082 0.000 1.414 728 N HN 0.121 nan 8.380 nan 0.000 0.492 729 A N 0.748 123.609 122.820 0.068 0.000 1.836 729 A HA -0.418 3.902 4.320 0.001 0.000 0.269 729 A C 2.214 179.851 177.584 0.088 0.000 2.597 729 A CA 3.120 55.201 52.037 0.073 0.000 0.810 729 A CB -1.385 17.643 19.000 0.047 0.000 0.833 729 A HN 0.608 nan 8.150 nan 0.000 0.542 730 S N -0.410 115.329 115.700 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 1.846 60.079 58.200 0.055 0.000 1.010 730 S CB -0.918 62.304 63.200 0.037 0.000 0.891 730 S HN 1.509 nan 8.310 nan 0.000 0.442 731 A N 0.866 123.738 122.820 0.087 0.000 2.072 731 A HA 0.387 4.708 4.320 0.001 0.000 0.216 731 A C 2.128 179.790 177.584 0.130 0.000 1.156 731 A CA 0.543 52.639 52.037 0.098 0.000 0.701 731 A CB -0.539 18.514 19.000 0.088 0.000 0.816 731 A HN 0.560 nan 8.150 nan 0.000 0.458 732 I N -0.017 120.638 120.570 0.142 0.000 2.585 732 I HA -0.039 4.132 4.170 0.001 0.000 0.254 732 I C -0.734 175.506 176.117 0.205 0.000 1.129 732 I CA 0.434 61.831 61.300 0.162 0.000 1.455 732 I CB -0.748 37.336 38.000 0.140 0.000 1.111 732 I HN 0.170 nan 8.210 nan 0.000 0.433 733 P HA -0.139 nan 4.420 nan 0.000 0.215 733 P C 1.283 179.072 177.300 0.815 0.000 1.157 733 P CA 1.471 64.947 63.100 0.628 0.000 0.859 733 P CB -0.038 31.963 31.700 0.502 0.000 0.786 734 E N -0.294 120.133 120.200 0.378 0.000 2.085 734 E HA -0.133 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 1.409 57.971 56.400 0.269 0.000 0.801 734 E CB -0.957 28.818 29.700 0.126 0.000 0.743 734 E HN 0.261 nan 8.360 nan 0.000 0.453 735 G N 1.107 110.027 108.800 0.200 0.000 2.421 735 G HA2 -0.304 3.657 3.960 0.001 0.000 0.216 735 G HA3 -0.304 3.657 3.960 0.001 0.000 0.216 735 G C 1.436 176.393 174.900 0.095 0.000 1.171 735 G CA 0.645 45.822 45.100 0.129 0.000 0.775 735 G HN 0.197 nan 8.290 nan 0.000 0.543 736 Q N -0.640 119.199 119.800 0.065 0.000 2.119 736 Q HA -0.008 4.333 4.340 0.001 0.000 0.201 736 Q C 2.309 178.190 176.000 -0.199 0.000 0.972 736 Q CA 1.047 56.782 55.803 -0.114 0.000 0.847 736 Q CB -0.189 28.364 28.738 -0.308 0.000 0.903 736 Q HN 0.598 nan 8.270 nan 0.000 0.433 737 F N -0.311 119.665 119.950 0.043 0.000 2.234 737 F HA -0.074 4.454 4.527 0.001 0.000 0.296 737 F C 2.187 177.997 175.800 0.017 0.000 1.089 737 F CA 0.591 58.608 58.000 0.029 0.000 1.343 737 F CB -0.127 38.888 39.000 0.025 0.000 1.040 737 F HN 0.041 nan 8.300 nan 0.000 0.498 738 M N -0.721 119.004 119.600 0.209 0.000 2.254 738 M HA -0.004 4.476 4.480 0.001 0.000 0.265 738 M C -0.277 176.052 176.300 0.048 0.000 1.066 738 M CA 1.220 56.586 55.300 0.111 0.000 1.123 738 M CB -0.874 31.783 32.600 0.095 0.000 1.388 738 M HN 0.014 nan 8.290 nan 0.000 0.425 739 D N -0.846 119.568 120.400 0.022 0.000 2.613 739 D HA 0.170 4.811 4.640 0.001 0.000 0.230 739 D C 0.500 176.760 176.300 -0.067 0.000 1.365 739 D CA -0.005 53.978 54.000 -0.028 0.000 0.976 739 D CB 1.150 41.914 40.800 -0.059 0.000 1.415 739 D HN -0.082 nan 8.370 nan 0.000 0.589 740 S N 3.628 119.293 115.700 -0.059 0.000 2.409 740 S HA -0.297 4.173 4.470 0.001 0.000 0.237 740 S C 1.520 176.033 174.600 -0.145 0.000 1.060 740 S CA 2.451 60.613 58.200 -0.062 0.000 1.052 740 S CB 0.041 63.230 63.200 -0.020 0.000 0.871 740 S HN 0.601 nan 8.310 nan 0.000 0.465 741 K N 0.257 120.480 120.400 -0.294 0.000 2.161 741 K HA 0.178 4.499 4.320 0.001 0.000 0.205 741 K C 2.242 178.527 176.600 -0.525 0.000 1.035 741 K CA 0.593 56.415 56.287 -0.776 0.000 0.970 741 K CB -0.550 31.538 32.500 -0.686 0.000 0.866 741 K HN 0.168 nan 8.250 nan 0.000 0.461 742 K N 0.562 120.792 120.400 -0.283 0.000 2.228 742 K HA -0.210 4.111 4.320 0.001 0.000 0.205 742 K C 1.824 178.375 176.600 -0.082 0.000 1.045 742 K CA 1.329 57.517 56.287 -0.166 0.000 0.931 742 K CB -0.253 32.186 32.500 -0.103 0.000 0.727 742 K HN 0.359 nan 8.250 nan 0.000 0.458 743 A N 0.752 123.537 122.820 -0.058 0.000 1.834 743 A HA -0.183 4.138 4.320 0.001 0.000 0.216 743 A C 2.129 179.788 177.584 0.125 0.000 1.203 743 A CA 2.267 54.327 52.037 0.038 0.000 0.621 743 A CB -1.014 18.000 19.000 0.023 0.000 0.841 743 A HN 0.416 nan 8.150 nan 0.000 0.446 744 S N 0.023 115.837 115.700 0.190 0.000 2.407 744 S HA -0.234 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 1.482 59.922 58.200 0.399 0.000 1.013 744 S CB -0.433 63.094 63.200 0.545 0.000 0.820 744 S HN 0.583 nan 8.310 nan 0.000 0.476 745 E N 1.244 121.584 120.200 0.234 0.000 2.005 745 E HA -0.167 4.184 4.350 0.001 0.000 0.198 745 E C 2.179 178.883 176.600 0.174 0.000 1.010 745 E CA 1.208 57.711 56.400 0.172 0.000 0.825 745 E CB -0.259 29.355 29.700 -0.144 0.000 0.769 745 E HN 0.283 nan 8.360 nan 0.000 0.456 746 K N 0.958 121.417 120.400 0.098 0.000 2.089 746 K HA -0.173 4.148 4.320 0.001 0.000 0.210 746 K C 2.273 178.969 176.600 0.161 0.000 1.048 746 K CA 1.028 57.380 56.287 0.107 0.000 0.926 746 K CB -0.596 31.952 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 0.200 0.000 1.990 747 L HA -0.215 4.125 4.340 0.001 0.000 0.213 747 L C 1.761 178.754 176.870 0.204 0.000 1.072 747 L CA 1.392 56.360 54.840 0.213 0.000 0.755 747 L CB -0.235 41.985 42.059 0.269 0.000 0.889 747 L HN 0.183 nan 8.230 nan 0.000 0.432 748 L N 0.055 121.412 121.223 0.224 0.000 2.651 748 L HA -0.151 4.190 4.340 0.001 0.000 0.236 748 L C 2.365 179.367 176.870 0.220 0.000 1.173 748 L CA 1.052 55.969 54.840 0.129 0.000 0.843 748 L CB -1.164 40.870 42.059 -0.043 0.000 0.964 748 L HN 0.364 nan 8.230 nan 0.000 0.454 749 G N -0.387 108.565 108.800 0.253 0.000 2.513 749 G HA2 -0.176 3.785 3.960 0.001 0.000 0.219 749 G HA3 -0.176 3.785 3.960 0.001 0.000 0.219 749 G C 0.969 176.045 174.900 0.294 0.000 1.160 749 G CA 0.722 45.983 45.100 0.268 0.000 0.767 749 G HN 0.489 nan 8.290 nan 0.000 0.571 750 G N -1.675 107.250 108.800 0.207 0.000 2.547 750 G HA2 0.620 4.581 3.960 0.001 0.000 0.291 750 G HA3 0.620 4.581 3.960 0.001 0.000 0.291 750 G C 0.178 175.182 174.900 0.173 0.000 1.211 750 G CA 0.204 45.412 45.100 0.179 0.000 0.950 750 G HN 1.475 nan 8.290 nan 0.000 0.504 751 G N -0.681 108.209 108.800 0.150 0.000 2.770 751 G HA2 0.166 4.126 3.960 0.001 0.000 0.686 751 G HA3 0.166 4.126 3.960 0.001 0.000 0.686 751 G C -0.254 174.751 174.900 0.175 0.000 1.180 751 G CA 0.212 45.386 45.100 0.123 0.000 0.767 751 G HN 1.140 nan 8.290 nan 0.000 0.646 752 D N -0.092 120.386 120.400 0.128 0.000 2.870 752 D HA 0.340 4.981 4.640 0.001 0.000 0.241 752 D C 1.081 177.471 176.300 0.150 0.000 1.234 752 D CA 0.300 54.383 54.000 0.140 0.000 0.844 752 D CB -0.035 40.822 40.800 0.094 0.000 1.051 752 D HN 0.751 nan 8.370 nan 0.000 0.469 753 V N -1.795 118.225 119.914 0.177 0.000 2.644 753 V HA 0.291 4.412 4.120 0.001 0.000 0.295 753 V C 0.737 176.986 176.094 0.258 0.000 1.053 753 V CA -1.125 61.259 62.300 0.140 0.000 0.987 753 V CB 1.456 33.283 31.823 0.008 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.652 122.188 120.400 0.226 0.000 2.349 754 D HA 0.057 4.698 4.640 0.001 0.000 0.266 754 D C 0.469 176.974 176.300 0.341 0.000 1.293 754 D CA 0.223 54.377 54.000 0.257 0.000 0.926 754 D CB 0.468 41.368 40.800 0.167 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.076 120.260 119.070 0.189 0.000 2.556 755 H HA 0.011 4.568 4.556 0.001 0.000 0.273 755 H C 1.476 176.532 175.328 -0.453 0.000 1.030 755 H CA 0.412 56.491 56.048 0.052 0.000 1.156 755 H CB 0.335 30.190 29.762 0.155 0.000 1.326 755 H HN 0.258 nan 8.280 nan 0.000 0.609 756 T N -0.233 114.238 114.554 -0.139 0.000 2.914 756 T HA -0.092 4.259 4.350 0.001 0.000 0.240 756 T C 1.792 176.410 174.700 -0.137 0.000 1.025 756 T CA 0.244 62.261 62.100 -0.139 0.000 1.198 756 T CB 0.035 68.904 68.868 0.001 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.210 121.043 119.800 0.056 0.000 2.480 757 Q HA -0.144 4.196 4.340 0.001 0.000 0.217 757 Q C 0.263 176.450 176.000 0.313 0.000 0.993 757 Q CA 1.294 57.228 55.803 0.219 0.000 0.908 757 Q CB -0.865 28.021 28.738 0.246 0.000 0.927 757 Q HN 0.790 nan 8.270 nan 0.000 0.471 758 Y N -2.464 117.784 120.300 -0.088 0.000 2.686 758 Y HA 0.805 5.356 4.550 0.001 0.000 0.330 758 Y C -0.557 174.960 175.900 -0.639 0.000 1.082 758 Y CA -2.012 55.798 58.100 -0.483 0.000 1.158 758 Y CB 1.043 38.934 38.460 -0.949 0.000 1.333 758 Y HN -0.106 nan 8.280 nan 0.000 0.519 759 A N 0.762 123.153 122.820 -0.714 0.000 2.565 759 A HA 0.646 4.967 4.320 0.001 0.000 0.298 759 A C -2.089 175.252 177.584 -0.405 0.000 1.062 759 A CA -0.791 50.901 52.037 -0.574 0.000 0.723 759 A CB 0.150 18.707 19.000 -0.738 0.000 1.282 759 A HN 0.561 nan 8.150 nan 0.000 0.400 760 F N 0.974 120.866 119.950 -0.097 0.000 2.450 760 F HA 0.889 5.417 4.527 0.001 0.000 0.328 760 F C 1.093 176.933 175.800 0.067 0.000 1.068 760 F CA -0.033 57.982 58.000 0.025 0.000 1.007 760 F CB 2.086 41.154 39.000 0.114 0.000 1.251 760 F HN 0.970 nan 8.300 nan 0.000 0.492 761 G N -1.575 107.436 108.800 0.352 0.000 2.601 761 G HA2 0.284 4.245 3.960 0.001 0.000 0.291 761 G HA3 0.284 4.245 3.960 0.001 0.000 0.291 761 G C -0.346 174.727 174.900 0.287 0.000 1.456 761 G CA -0.687 44.522 45.100 0.183 0.000 0.804 761 G HN 0.804 nan 8.290 nan 0.000 0.499 762 H N -0.789 118.359 119.070 0.130 0.000 2.456 762 H HA -0.160 4.397 4.556 0.001 0.000 0.288 762 H C 1.173 176.613 175.328 0.186 0.000 1.130 762 H CA 1.556 57.676 56.048 0.120 0.000 1.173 762 H CB -0.238 29.545 29.762 0.035 0.000 1.350 762 H HN 0.423 nan 8.280 nan 0.000 0.498 766 F N 2.688 122.237 119.950 -0.669 0.000 2.480 766 F HA 0.906 5.433 4.527 0.001 0.000 0.329 766 F C -0.276 175.215 175.800 -0.514 0.000 1.091 766 F CA -0.588 57.150 58.000 -0.437 0.000 0.972 766 F CB 1.710 40.499 39.000 -0.352 0.000 1.150 766 F HN 0.312 nan 8.300 nan 0.000 0.467 770 G N 0.067 108.788 108.800 -0.132 0.000 3.663 770 G HA2 -0.064 3.897 3.960 0.001 0.000 0.207 770 G HA3 -0.064 3.897 3.960 0.001 0.000 0.207 770 G C 0.919 175.818 174.900 -0.003 0.000 1.150 770 G CA 1.602 46.682 45.100 -0.033 0.000 0.712 770 G HN 0.838 nan 8.290 nan 0.000 0.662 771 L N -1.088 120.135 121.223 0.000 0.000 2.185 771 L HA 0.332 4.673 4.340 0.001 0.000 0.198 771 L C 2.523 179.423 176.870 0.051 0.000 1.079 771 L CA 0.624 55.489 54.840 0.042 0.000 0.780 771 L CB -0.337 41.772 42.059 0.084 0.000 0.955 771 L HN 0.118 nan 8.230 nan 0.000 0.462 772 L N 0.362 121.611 121.223 0.042 0.000 2.129 772 L HA -0.151 4.190 4.340 0.001 0.000 0.212 772 L C 2.382 179.291 176.870 0.064 0.000 1.087 772 L CA 2.007 56.874 54.840 0.044 0.000 0.757 772 L CB -1.556 40.565 42.059 0.103 0.000 0.896 772 L HN 0.423 nan 8.230 nan 0.000 0.434 773 G N -1.346 107.501 108.800 0.079 0.000 2.418 773 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 773 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 773 G C 1.681 176.618 174.900 0.060 0.000 1.158 773 G CA 0.767 45.917 45.100 0.082 0.000 0.771 773 G HN 0.317 nan 8.290 nan 0.000 0.545 774 L N -0.267 120.988 121.223 0.054 0.000 2.027 774 L HA 0.043 4.384 4.340 0.001 0.000 0.206 774 L C 2.723 179.625 176.870 0.052 0.000 1.074 774 L CA 0.885 55.757 54.840 0.053 0.000 0.745 774 L CB -0.422 41.673 42.059 0.061 0.000 0.898 774 L HN 0.097 nan 8.230 nan 0.000 0.433 775 L N -0.540 120.711 121.223 0.047 0.000 1.951 775 L HA -0.297 4.044 4.340 0.001 0.000 0.222 775 L C 2.602 179.490 176.870 0.031 0.000 1.078 775 L CA 1.771 56.631 54.840 0.032 0.000 0.778 775 L CB -1.301 40.757 42.059 -0.001 0.000 0.893 775 L HN 0.288 nan 8.230 nan 0.000 0.436 776 E N -0.374 119.843 120.200 0.029 0.000 2.136 776 E HA -0.325 4.026 4.350 0.001 0.000 0.208 776 E C 2.106 178.726 176.600 0.033 0.000 1.035 776 E CA 1.750 58.167 56.400 0.029 0.000 0.838 776 E CB -0.323 29.400 29.700 0.039 0.000 0.748 776 E HN 0.661 nan 8.360 nan 0.000 0.459 777 E N 0.168 120.391 120.200 0.039 0.000 2.049 777 E HA -0.223 4.128 4.350 0.001 0.000 0.198 777 E C 2.229 178.851 176.600 0.036 0.000 1.007 777 E CA 1.610 58.032 56.400 0.037 0.000 0.809 777 E CB -0.165 29.558 29.700 0.039 0.000 0.749 777 E HN 0.232 nan 8.360 nan 0.000 0.450 778 M N 0.244 119.868 119.600 0.041 0.000 2.108 778 M HA -0.189 4.291 4.480 0.001 0.000 0.261 778 M C 2.714 179.036 176.300 0.037 0.000 1.066 778 M CA 1.771 57.097 55.300 0.044 0.000 1.107 778 M CB -0.383 32.249 32.600 0.055 0.000 1.356 778 M HN 0.124 nan 8.290 nan 0.000 0.406 779 R N 0.641 121.161 120.500 0.033 0.000 2.083 779 R HA -0.193 4.148 4.340 0.001 0.000 0.237 779 R C 1.547 177.861 176.300 0.023 0.000 1.137 779 R CA 2.127 58.243 56.100 0.026 0.000 0.951 779 R CB -0.361 29.951 30.300 0.020 0.000 0.851 779 R HN 0.282 nan 8.270 nan 0.000 0.434 780 D N 0.869 121.283 120.400 0.024 0.000 2.126 780 D HA -0.138 4.502 4.640 0.001 0.000 0.190 780 D C 0.273 176.585 176.300 0.020 0.000 1.001 780 D CA 1.295 55.308 54.000 0.021 0.000 0.841 780 D CB -0.578 40.236 40.800 0.023 0.000 0.949 780 D HN 0.280 nan 8.370 nan 0.000 0.446 784 A N 0.213 123.039 122.820 0.011 0.000 1.892 784 A HA -0.224 4.096 4.320 0.001 0.000 0.218 784 A C 2.042 179.631 177.584 0.010 0.000 1.188 784 A CA 2.393 54.436 52.037 0.010 0.000 0.631 784 A CB -0.329 18.678 19.000 0.011 0.000 0.822 784 A HN 0.396 nan 8.150 nan 0.000 0.447 785 E N 0.016 120.222 120.200 0.011 0.000 2.007 785 E HA -0.190 4.161 4.350 0.001 0.000 0.203 785 E C 1.838 178.443 176.600 0.008 0.000 1.020 785 E CA 1.610 58.017 56.400 0.011 0.000 0.845 785 E CB -0.456 29.253 29.700 0.014 0.000 0.779 785 E HN 0.580 nan 8.360 nan 0.000 0.466 786 I N 0.290 120.864 120.570 0.008 0.000 2.185 786 I HA -0.328 3.843 4.170 0.001 0.000 0.246 786 I C 2.363 178.481 176.117 0.001 0.000 1.088 786 I CA 1.200 62.503 61.300 0.004 0.000 1.347 786 I CB -0.281 37.721 38.000 0.003 0.000 1.041 786 I HN 0.207 nan 8.210 nan 0.000 0.415 787 I N -0.095 120.476 120.570 0.002 0.000 2.188 787 I HA -0.251 3.920 4.170 0.001 0.000 0.237 787 I C 2.523 178.641 176.117 0.002 0.000 1.073 787 I CA 1.470 62.771 61.300 0.000 0.000 1.359 787 I CB -0.458 37.543 38.000 0.001 0.000 1.083 787 I HN 0.181 nan 8.210 nan 0.000 0.412 788 T N 1.200 115.756 114.554 0.005 0.000 2.684 788 T HA -0.312 4.038 4.350 0.001 0.000 0.267 788 T C 1.818 176.522 174.700 0.007 0.000 1.032 788 T CA 1.890 63.994 62.100 0.006 0.000 1.155 788 T CB -0.415 68.458 68.868 0.008 0.000 0.857 788 T HN 0.532 nan 8.240 nan 0.000 0.457 789 A N 0.550 123.374 122.820 0.005 0.000 1.929 789 A HA -0.051 4.270 4.320 0.001 0.000 0.216 789 A C 2.527 180.112 177.584 0.001 0.000 1.176 789 A CA 1.808 53.847 52.037 0.005 0.000 0.628 789 A CB -0.840 18.163 19.000 0.004 0.000 0.816 789 A HN 0.474 nan 8.150 nan 0.000 0.444 790 T N -0.097 114.455 114.554 -0.003 0.000 3.055 790 T HA -0.056 4.294 4.350 0.001 0.000 0.265 790 T C 1.948 176.644 174.700 -0.007 0.000 1.111 790 T CA 1.165 63.259 62.100 -0.010 0.000 1.118 790 T CB -0.090 68.768 68.868 -0.016 0.000 0.909 790 T HN 0.564 nan 8.240 nan 0.000 0.501 791 Q N 0.939 120.740 119.800 0.002 0.000 1.969 791 Q HA 0.005 4.346 4.340 0.001 0.000 0.198 791 Q C 2.837 178.848 176.000 0.018 0.000 0.978 791 Q CA 1.257 57.065 55.803 0.008 0.000 0.830 791 Q CB -0.439 28.305 28.738 0.010 0.000 0.896 791 Q HN 0.496 nan 8.270 nan 0.000 0.431 792 A N 1.934 124.765 122.820 0.019 0.000 1.887 792 A HA -0.390 3.931 4.320 0.001 0.000 0.225 792 A C 2.052 179.659 177.584 0.040 0.000 1.464 792 A CA 2.696 54.748 52.037 0.025 0.000 0.717 792 A CB -0.977 18.034 19.000 0.018 0.000 0.848 792 A HN 0.319 nan 8.150 nan 0.000 0.477 793 R N -0.143 120.377 120.500 0.033 0.000 2.112 793 R HA -0.195 4.145 4.340 0.001 0.000 0.242 793 R C 2.077 178.432 176.300 0.093 0.000 1.137 793 R CA 2.568 58.697 56.100 0.047 0.000 0.944 793 R CB -1.758 28.548 30.300 0.009 0.000 0.857 793 R HN 0.655 nan 8.270 nan 0.000 0.435 794 C N 0.341 119.672 119.300 0.051 0.000 2.359 794 C HA -0.127 4.333 4.460 0.001 0.000 0.277 794 C C 2.625 177.724 174.990 0.182 0.000 1.192 794 C CA 1.360 60.430 59.018 0.087 0.000 1.759 794 C CB -1.111 26.646 27.740 0.030 0.000 2.038 794 C HN 0.545 nan 8.230 nan 0.000 0.448 795 R N 0.604 121.166 120.500 0.105 0.000 2.115 795 R HA -0.151 4.190 4.340 0.001 0.000 0.239 795 R C 2.421 178.777 176.300 0.093 0.000 1.133 795 R CA 2.099 58.249 56.100 0.084 0.000 0.935 795 R CB -1.302 29.028 30.300 0.050 0.000 0.853 795 R HN 0.688 nan 8.270 nan 0.000 0.433 796 G N 1.133 109.988 108.800 0.092 0.000 2.679 796 G HA2 -0.355 3.606 3.960 0.001 0.000 0.217 796 G HA3 -0.355 3.606 3.960 0.001 0.000 0.217 796 G C 1.253 176.216 174.900 0.104 0.000 1.267 796 G CA 1.017 46.164 45.100 0.078 0.000 0.799 796 G HN 0.388 nan 8.290 nan 0.000 0.606 797 F N 0.711 120.658 119.950 -0.004 0.000 2.176 797 F HA -0.169 4.359 4.527 0.001 0.000 0.301 797 F C 2.307 178.110 175.800 0.004 0.000 1.071 797 F CA 1.530 59.529 58.000 -0.001 0.000 1.289 797 F CB -0.219 38.780 39.000 -0.001 0.000 1.028 797 F HN 0.089 nan 8.300 nan 0.000 0.494 798 L N -0.073 121.232 121.223 0.137 0.000 2.046 798 L HA -0.220 4.121 4.340 0.001 0.000 0.208 798 L C 2.469 179.263 176.870 -0.127 0.000 1.077 798 L CA 1.854 56.693 54.840 -0.002 0.000 0.747 798 L CB -0.767 41.361 42.059 0.115 0.000 0.896 798 L HN 0.249 nan 8.230 nan 0.000 0.432 799 M N -1.887 117.673 119.600 -0.067 0.000 2.349 799 M HA -0.147 4.334 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 0.887 56.153 55.300 -0.056 0.000 1.126 799 M CB -0.168 32.423 32.600 -0.015 0.000 1.392 799 M HN 0.145 nan 8.290 nan 0.000 0.440 800 R N -0.354 120.053 120.500 -0.155 0.000 2.200 800 R HA -0.108 4.233 4.340 0.001 0.000 0.234 800 R C 1.680 177.869 176.300 -0.186 0.000 1.127 800 R CA 0.938 56.938 56.100 -0.166 0.000 0.989 800 R CB -0.013 30.180 30.300 -0.179 0.000 0.869 800 R HN 0.243 nan 8.270 nan 0.000 0.459 801 V N -0.236 119.506 119.914 -0.287 0.000 3.174 801 V HA -0.046 4.075 4.120 0.001 0.000 0.254 801 V C 1.855 177.887 176.094 -0.103 0.000 1.120 801 V CA 0.881 63.039 62.300 -0.236 0.000 1.114 801 V CB 0.099 31.722 31.823 -0.334 0.000 0.756 801 V HN 0.129 nan 8.190 nan 0.000 0.467 802 E N -0.100 120.056 120.200 -0.074 0.000 2.072 802 E HA -0.170 4.181 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 1.156 57.539 56.400 -0.029 0.000 0.803 802 E CB -0.309 29.378 29.700 -0.021 0.000 0.755 802 E HN 0.689 nan 8.360 nan 0.000 0.453 803 Y N 1.276 121.525 120.300 -0.085 0.000 2.165 803 Y HA -0.207 4.344 4.550 0.001 0.000 0.286 803 Y C 2.446 178.307 175.900 -0.065 0.000 1.155 803 Y CA 2.029 60.089 58.100 -0.068 0.000 1.164 803 Y CB -0.037 38.388 38.460 -0.059 0.000 0.978 803 Y HN -0.077 nan 8.280 nan 0.000 0.513 804 R N -0.315 120.247 120.500 0.103 0.000 2.200 804 R HA -0.147 4.193 4.340 0.001 0.000 0.234 804 R C 2.125 178.402 176.300 -0.038 0.000 1.127 804 R CA 1.049 57.167 56.100 0.030 0.000 0.989 804 R CB -0.294 30.011 30.300 0.009 0.000 0.869 804 R HN 0.480 nan 8.270 nan 0.000 0.459 805 A N -0.184 122.602 122.820 -0.057 0.000 1.887 805 A HA -0.010 4.311 4.320 0.001 0.000 0.210 805 A C 2.002 179.520 177.584 -0.109 0.000 1.221 805 A CA 0.524 52.519 52.037 -0.071 0.000 0.635 805 A CB -0.254 18.711 19.000 -0.059 0.000 0.881 805 A HN 0.177 nan 8.150 nan 0.000 0.456 806 M N -0.298 119.218 119.600 -0.140 0.000 2.088 806 M HA -0.213 4.268 4.480 0.001 0.000 0.256 806 M C 2.115 178.274 176.300 -0.235 0.000 1.071 806 M CA 1.891 57.075 55.300 -0.194 0.000 1.097 806 M CB -0.728 31.722 32.600 -0.250 0.000 1.315 806 M HN 0.234 nan 8.290 nan 0.000 0.406 807 V N 0.217 119.955 119.914 -0.294 0.000 2.287 807 V HA -0.280 3.840 4.120 0.001 0.000 0.248 807 V C 2.145 178.149 176.094 -0.149 0.000 1.053 807 V CA 2.101 64.242 62.300 -0.265 0.000 1.027 807 V CB -0.693 30.942 31.823 -0.312 0.000 0.646 807 V HN 0.472 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 2.459 179.009 176.600 -0.082 0.000 1.011 808 E CA 1.696 58.053 56.400 -0.072 0.000 0.815 808 E CB -0.233 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 0.407 120.844 120.500 -0.105 0.000 2.154 809 R HA -0.193 4.148 4.340 0.001 0.000 0.248 809 R C 2.367 178.566 176.300 -0.169 0.000 1.155 809 R CA 0.989 57.016 56.100 -0.123 0.000 0.979 809 R CB -0.278 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 1.157 121.542 120.500 -0.191 0.000 2.227 810 R HA -0.284 4.057 4.340 0.001 0.000 0.246 810 R C 2.104 178.208 176.300 -0.327 0.000 1.119 810 R CA 2.599 58.543 56.100 -0.261 0.000 0.930 810 R CB -0.354 29.854 30.300 -0.153 0.000 0.912 810 R HN 0.579 nan 8.270 nan 0.000 0.435 811 E N -1.264 118.880 120.200 -0.092 0.000 2.086 811 E HA -0.019 4.332 4.350 0.001 0.000 0.190 811 E C 1.893 178.508 176.600 0.025 0.000 0.975 811 E CA 0.917 57.361 56.400 0.073 0.000 0.813 811 E CB -0.339 29.461 29.700 0.167 0.000 0.768 811 E HN 0.092 nan 8.360 nan 0.000 0.457 812 S N 1.026 116.710 115.700 -0.027 0.000 2.440 812 S HA -0.125 4.345 4.470 0.001 0.000 0.240 812 S C 1.888 176.458 174.600 -0.049 0.000 1.014 812 S CA 1.092 59.279 58.200 -0.021 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 -0.009 120.479 120.570 -0.136 0.000 2.141 813 I HA -0.147 4.024 4.170 0.001 0.000 0.236 813 I C 1.903 177.949 176.117 -0.118 0.000 1.071 813 I CA 1.113 62.306 61.300 -0.178 0.000 1.345 813 I CB -0.576 37.232 38.000 -0.319 0.000 1.066 813 I HN 0.205 nan 8.210 nan 0.000 0.406 814 F N 1.146 121.002 119.950 -0.157 0.000 2.063 814 F HA -0.387 4.141 4.527 0.001 0.000 0.297 814 F C 2.969 178.666 175.800 -0.172 0.000 1.099 814 F CA 1.702 59.538 58.000 -0.273 0.000 1.220 814 F CB -1.493 37.419 39.000 -0.148 0.000 0.972 814 F HN 0.300 nan 8.300 nan 0.000 0.487 815 C N 0.886 120.302 119.300 0.193 0.000 2.393 815 C HA -0.220 4.241 4.460 0.001 0.000 0.276 815 C C 2.908 177.955 174.990 0.096 0.000 1.215 815 C CA 1.296 60.404 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 0.079 120.673 120.570 0.040 0.000 2.202 816 I HA -0.205 3.966 4.170 0.001 0.000 0.242 816 I C 2.714 178.840 176.117 0.017 0.000 1.091 816 I CA 1.705 63.015 61.300 0.016 0.000 1.368 816 I CB -1.339 36.650 38.000 -0.017 0.000 1.058 816 I HN 0.557 nan 8.210 nan 0.000 0.410 817 Q N 0.402 120.182 119.800 -0.034 0.000 1.935 817 Q HA -0.261 4.080 4.340 0.001 0.000 0.212 817 Q C 2.354 178.359 176.000 0.008 0.000 1.008 817 Q CA 2.405 58.159 55.803 -0.081 0.000 0.868 817 Q CB -0.368 28.239 28.738 -0.218 0.000 0.946 817 Q HN 0.371 nan 8.270 nan 0.000 0.418 818 Y N 0.943 121.306 120.300 0.105 0.000 2.081 818 Y HA -0.287 4.263 4.550 0.001 0.000 0.280 818 Y C 2.154 178.095 175.900 0.069 0.000 1.163 818 Y CA 1.105 59.246 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 0.234 0.000 2.133 819 N HA -0.195 4.545 4.740 0.001 0.000 0.193 819 N C 1.901 177.504 175.510 0.156 0.000 1.012 819 N CA 1.753 54.901 53.050 0.163 0.000 0.871 819 N CB -0.333 38.224 38.487 0.116 0.000 1.011 819 N HN 0.208 nan 8.380 nan 0.000 0.435 820 V N 1.271 121.268 119.914 0.139 0.000 2.283 820 V HA -0.141 3.979 4.120 0.001 0.000 0.243 820 V C 2.420 178.648 176.094 0.223 0.000 1.039 820 V CA 1.234 63.626 62.300 0.152 0.000 1.016 820 V CB -0.356 31.528 31.823 0.102 0.000 0.650 820 V HN 0.268 nan 8.190 nan 0.000 0.449 821 R N -0.156 120.450 120.500 0.178 0.000 2.134 821 R HA -0.228 4.113 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 1.956 58.150 56.100 0.157 0.000 0.957 821 R CB -0.704 29.692 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 -0.247 4.223 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 1.825 60.104 58.200 0.131 0.000 1.154 822 S CB -0.539 62.759 63.200 0.165 0.000 1.093 822 S HN 0.381 nan 8.310 nan 0.000 0.422 823 F N 2.042 122.043 119.950 0.084 0.000 2.085 823 F HA -0.239 4.289 4.527 0.001 0.000 0.299 823 F C 2.224 178.070 175.800 0.077 0.000 1.096 823 F CA 1.855 59.919 58.000 0.106 0.000 1.227 823 F CB -0.354 38.707 39.000 0.101 0.000 0.983 823 F HN 0.183 nan 8.300 nan 0.000 0.482 824 M N -0.157 119.433 119.600 -0.017 0.000 2.346 824 M HA -0.214 4.267 4.480 0.001 0.000 0.263 824 M C 1.465 177.680 176.300 -0.141 0.000 1.064 824 M CA 1.525 56.745 55.300 -0.132 0.000 1.083 824 M CB -1.106 31.524 32.600 0.050 0.000 1.399 824 M HN 0.288 nan 8.290 nan 0.000 0.435 825 N N -0.468 118.183 118.700 -0.082 0.000 2.368 825 N HA 0.044 4.785 4.740 0.001 0.000 0.178 825 N C 0.655 176.136 175.510 -0.049 0.000 1.021 825 N CA 0.245 53.266 53.050 -0.049 0.000 0.875 825 N CB 0.342 38.798 38.487 -0.052 0.000 1.020 825 N HN -0.005 nan 8.380 nan 0.000 0.433 829 W N 5.991 127.349 121.300 0.098 0.000 2.388 829 W HA 0.296 4.957 4.660 0.001 0.000 0.308 829 W C -1.528 175.026 176.519 0.059 0.000 1.263 829 W CA -2.298 55.097 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 -0.032 nan 8.180 nan 0.000 0.493 830 P HA -0.318 nan 4.420 nan 0.000 0.221 830 P C 1.183 178.140 177.300 -0.572 0.000 1.160 830 P CA 2.702 65.551 63.100 -0.418 0.000 0.933 830 P CB -0.235 31.115 31.700 -0.582 0.000 0.793 831 W N -1.363 119.414 121.300 -0.870 0.000 2.342 831 W HA -0.058 4.603 4.660 0.001 0.000 0.297 831 W C 1.910 178.096 176.519 -0.554 0.000 1.213 831 W CA 0.087 56.903 57.345 -0.881 0.000 1.251 831 W CB -0.937 27.515 29.460 -1.680 0.000 1.136 831 W HN -0.003 nan 8.180 nan 0.000 0.526 835 F N 1.617 121.514 119.950 -0.087 0.000 2.147 835 F HA -0.103 4.425 4.527 0.001 0.000 0.301 835 F C 1.078 176.932 175.800 0.091 0.000 1.084 835 F CA 1.088 59.061 58.000 -0.045 0.000 1.268 835 F CB -0.149 38.742 39.000 -0.182 0.000 1.009 835 F HN -0.054 nan 8.300 nan 0.000 0.486 841 L N 0.123 121.332 121.223 -0.023 0.000 2.450 841 L HA -0.078 4.263 4.340 0.001 0.000 0.225 841 L C 0.930 177.797 176.870 -0.005 0.000 1.145 841 L CA 1.258 56.092 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 -0.835 120.382 121.223 -0.010 0.000 2.479 842 L HA 0.283 4.624 4.340 0.001 0.000 0.248 842 L C 0.564 177.435 176.870 0.002 0.000 1.205 842 L CA 0.085 54.926 54.840 0.001 0.000 0.817 842 L CB 0.308 42.367 42.059 0.000 0.000 1.162 842 L HN 0.235 nan 8.230 nan 0.000 0.486 843 K N 0.000 120.407 120.400 0.011 0.000 2.780 843 K HA 0.000 4.321 4.320 0.001 0.000 0.191 843 K CA 0.000 56.294 56.287 0.011 0.000 0.838 843 K CB 0.000 32.506 32.500 0.010 0.000 1.064 843 K HN 0.000 nan 8.250 nan 0.000 0.543