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_G 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 0.000 176.326 176.300 0.043 0.000 2.045 4 D CA 0.000 54.019 54.000 0.032 0.000 0.868 4 D CB 0.000 40.814 40.800 0.023 0.000 0.688 5 A N 1.341 124.184 122.820 0.039 0.000 1.865 5 A HA -0.217 4.093 4.320 -0.017 0.000 0.217 5 A C 1.867 179.480 177.584 0.049 0.000 1.191 5 A CA 2.131 54.191 52.037 0.039 0.000 0.623 5 A CB -0.653 18.368 19.000 0.034 0.000 0.826 5 A HN 0.297 nan 8.150 nan 0.000 0.444 6 E N -0.221 120.014 120.200 0.059 0.000 2.021 6 E HA -0.150 4.189 4.350 -0.017 0.000 0.200 6 E C 0.347 177.020 176.600 0.122 0.000 1.015 6 E CA 0.909 57.356 56.400 0.079 0.000 0.824 6 E CB -0.325 29.428 29.700 0.089 0.000 0.762 6 E HN 0.557 nan 8.360 nan 0.000 0.454 7 M N 0.082 119.778 119.600 0.161 0.000 2.390 7 M HA 0.044 4.513 4.480 -0.017 0.000 0.353 7 M C 0.360 176.768 176.300 0.179 0.000 1.623 7 M CA 0.457 55.917 55.300 0.266 0.000 1.065 7 M CB 0.684 33.390 32.600 0.177 0.000 2.025 7 M HN 0.223 nan 8.290 nan 0.000 0.461 8 A N 3.038 125.961 122.820 0.173 0.000 1.429 8 A HA 0.397 4.706 4.320 -0.017 0.000 0.212 8 A C 1.785 179.374 177.584 0.007 0.000 1.863 8 A CA 0.539 52.619 52.037 0.072 0.000 1.494 8 A CB -0.926 18.088 19.000 0.024 0.000 1.413 8 A HN 0.727 nan 8.150 nan 0.000 0.338 9 A N 0.250 122.982 122.820 -0.147 0.000 1.896 9 A HA -0.088 4.221 4.320 -0.017 0.000 0.220 9 A C 1.902 179.282 177.584 -0.340 0.000 1.206 9 A CA 2.318 54.131 52.037 -0.372 0.000 0.647 9 A CB -1.046 17.518 19.000 -0.727 0.000 0.828 9 A HN 0.724 nan 8.150 nan 0.000 0.455 10 F N -1.150 118.794 119.950 -0.011 0.000 2.094 10 F HA 0.292 4.808 4.527 -0.017 0.000 0.291 10 F C 2.499 178.325 175.800 0.042 0.000 1.109 10 F CA 0.818 58.834 58.000 0.026 0.000 1.221 10 F CB -1.225 37.791 39.000 0.026 0.000 1.014 10 F HN 0.475 nan 8.300 nan 0.000 0.473 11 G N 0.470 109.453 108.800 0.304 0.000 3.773 11 G HA2 -0.528 3.421 3.960 -0.017 0.000 0.355 11 G HA3 -0.528 3.421 3.960 -0.017 0.000 0.355 11 G C 1.269 176.261 174.900 0.153 0.000 1.323 11 G CA 1.281 46.484 45.100 0.172 0.000 1.103 11 G HN 0.334 nan 8.290 nan 0.000 0.716 12 E N 1.051 121.345 120.200 0.156 0.000 2.160 12 E HA 0.205 4.544 4.350 -0.017 0.000 0.195 12 E C 2.856 179.581 176.600 0.209 0.000 0.991 12 E CA 1.964 58.462 56.400 0.162 0.000 0.810 12 E CB -0.379 29.423 29.700 0.171 0.000 0.742 12 E HN 0.760 nan 8.360 nan 0.000 0.466 13 A N 0.283 123.257 122.820 0.258 0.000 2.021 13 A HA 0.165 4.474 4.320 -0.017 0.000 0.216 13 A C 2.281 179.977 177.584 0.186 0.000 1.163 13 A CA 1.027 53.253 52.037 0.315 0.000 0.676 13 A CB -0.527 18.678 19.000 0.342 0.000 0.818 13 A HN 0.294 nan 8.150 nan 0.000 0.453 14 A N 1.272 124.153 122.820 0.101 0.000 1.916 14 A HA -0.239 4.071 4.320 -0.017 0.000 0.224 14 A C 0.254 177.760 177.584 -0.129 0.000 1.366 14 A CA 2.465 54.467 52.037 -0.058 0.000 0.692 14 A CB -2.069 16.933 19.000 0.003 0.000 0.841 14 A HN 0.482 nan 8.150 nan 0.000 0.480 15 P HA -0.148 nan 4.420 nan 0.000 0.220 15 P C 0.526 177.596 177.300 -0.385 0.000 1.144 15 P CA 1.380 64.263 63.100 -0.361 0.000 0.800 15 P CB -0.255 31.126 31.700 -0.531 0.000 0.772 16 Y N -2.432 117.876 120.300 0.012 0.000 2.462 16 Y HA 0.144 4.684 4.550 -0.017 0.000 0.261 16 Y C 1.953 177.843 175.900 -0.017 0.000 1.146 16 Y CA 0.030 58.140 58.100 0.017 0.000 1.283 16 Y CB -0.322 38.141 38.460 0.004 0.000 1.090 16 Y HN -0.166 nan 8.280 nan 0.000 0.526 17 L N -1.087 120.159 121.223 0.038 0.000 2.435 17 L HA 0.297 4.626 4.340 -0.017 0.000 0.195 17 L C 0.922 177.752 176.870 -0.066 0.000 1.072 17 L CA 0.809 55.624 54.840 -0.041 0.000 0.833 17 L CB -0.206 41.720 42.059 -0.223 0.000 1.081 17 L HN -0.086 nan 8.230 nan 0.000 0.485 21 E N 1.043 121.243 120.200 -0.001 0.000 2.516 21 E HA -0.137 4.203 4.350 -0.017 0.000 0.206 21 E C 1.178 177.778 176.600 0.002 0.000 1.107 21 E CA 1.531 57.932 56.400 0.003 0.000 0.903 21 E CB -0.174 29.532 29.700 0.010 0.000 0.838 21 E HN 0.629 nan 8.360 nan 0.000 0.574 22 K N -2.188 118.212 120.400 -0.001 0.000 2.474 22 K HA 0.170 4.480 4.320 -0.017 0.000 0.204 22 K C 1.561 178.159 176.600 -0.004 0.000 1.220 22 K CA -0.128 56.158 56.287 -0.002 0.000 0.966 22 K CB 0.108 32.608 32.500 0.001 0.000 1.049 22 K HN -0.110 nan 8.250 nan 0.000 0.554 23 E N 1.357 121.554 120.200 -0.004 0.000 2.153 23 E HA -0.070 4.269 4.350 -0.017 0.000 0.194 23 E C 1.829 178.425 176.600 -0.006 0.000 0.988 23 E CA 1.123 57.520 56.400 -0.005 0.000 0.811 23 E CB 0.138 29.834 29.700 -0.006 0.000 0.746 23 E HN 0.242 nan 8.360 nan 0.000 0.466 24 R N 0.238 120.734 120.500 -0.007 0.000 2.070 24 R HA -0.070 4.260 4.340 -0.017 0.000 0.227 24 R C 2.466 178.757 176.300 -0.017 0.000 1.147 24 R CA 1.264 57.358 56.100 -0.009 0.000 0.924 24 R CB -0.458 29.838 30.300 -0.006 0.000 0.827 24 R HN 0.193 nan 8.270 nan 0.000 0.431 25 I N 1.380 121.941 120.570 -0.015 0.000 2.185 25 I HA -0.308 3.852 4.170 -0.017 0.000 0.246 25 I C 1.848 177.953 176.117 -0.020 0.000 1.088 25 I CA 1.636 62.925 61.300 -0.019 0.000 1.347 25 I CB -0.511 37.483 38.000 -0.011 0.000 1.041 25 I HN 0.338 nan 8.210 nan 0.000 0.415 26 E N 0.399 120.591 120.200 -0.013 0.000 2.418 26 E HA -0.089 4.250 4.350 -0.017 0.000 0.197 26 E C 2.048 178.640 176.600 -0.013 0.000 1.026 26 E CA 0.883 57.276 56.400 -0.011 0.000 0.862 26 E CB 0.055 29.752 29.700 -0.005 0.000 0.799 26 E HN 0.541 nan 8.360 nan 0.000 0.518 27 A N 0.706 123.515 122.820 -0.018 0.000 1.973 27 A HA -0.040 4.270 4.320 -0.017 0.000 0.210 27 A C 1.946 179.503 177.584 -0.044 0.000 1.200 27 A CA 0.183 52.207 52.037 -0.022 0.000 0.707 27 A CB 0.099 19.091 19.000 -0.014 0.000 0.862 27 A HN 0.054 nan 8.150 nan 0.000 0.461 28 Q N 0.325 120.090 119.800 -0.058 0.000 2.187 28 Q HA 0.033 4.362 4.340 -0.017 0.000 0.199 28 Q C 0.081 176.023 176.000 -0.096 0.000 0.957 28 Q CA 0.483 56.228 55.803 -0.098 0.000 0.857 28 Q CB -0.037 28.639 28.738 -0.104 0.000 0.929 28 Q HN 0.562 nan 8.270 nan 0.000 0.453 32 F N 1.151 121.068 119.950 -0.055 0.000 2.574 32 F HA 0.382 4.899 4.527 -0.017 0.000 0.313 32 F C -1.037 174.729 175.800 -0.057 0.000 1.130 32 F CA -0.523 57.441 58.000 -0.060 0.000 0.936 32 F CB 2.179 41.142 39.000 -0.062 0.000 1.219 32 F HN 0.178 nan 8.300 nan 0.000 0.445 33 D N 5.067 125.044 120.400 -0.704 0.000 2.479 33 D HA 0.470 5.100 4.640 -0.017 0.000 0.247 33 D C 0.174 176.116 176.300 -0.596 0.000 1.119 33 D CA 0.143 53.861 54.000 -0.471 0.000 0.922 33 D CB 1.333 41.950 40.800 -0.305 0.000 1.014 33 D HN 0.757 nan 8.370 nan 0.000 0.510 37 S N 2.016 117.534 115.700 -0.304 0.000 2.533 37 S HA 0.698 5.158 4.470 -0.017 0.000 0.282 37 S C -0.195 174.260 174.600 -0.240 0.000 1.304 37 S CA -0.331 57.669 58.200 -0.334 0.000 1.063 37 S CB 1.455 64.322 63.200 -0.556 0.000 0.881 37 S HN 0.620 nan 8.310 nan 0.000 0.493 38 V N 1.960 121.725 119.914 -0.248 0.000 3.258 38 V HA 0.514 4.623 4.120 -0.017 0.000 0.299 38 V C -1.460 174.444 176.094 -0.318 0.000 1.376 38 V CA -0.916 61.254 62.300 -0.217 0.000 1.063 38 V CB 2.071 33.844 31.823 -0.083 0.000 1.103 38 V HN 0.824 nan 8.190 nan 0.000 0.451 39 F N 1.180 121.116 119.950 -0.024 0.000 2.425 39 F HA 0.857 5.373 4.527 -0.017 0.000 0.331 39 F C 0.140 176.048 175.800 0.179 0.000 1.085 39 F CA -0.548 57.437 58.000 -0.025 0.000 1.028 39 F CB 1.886 40.771 39.000 -0.193 0.000 1.177 39 F HN 0.231 nan 8.300 nan 0.000 0.487 40 V N 2.441 122.671 119.914 0.526 0.000 3.178 40 V HA 0.489 4.599 4.120 -0.017 0.000 0.302 40 V C -0.962 175.498 176.094 0.611 0.000 1.262 40 V CA -0.923 61.682 62.300 0.508 0.000 1.030 40 V CB 2.581 34.561 31.823 0.262 0.000 1.074 40 V HN 0.486 nan 8.190 nan 0.000 0.438 41 V N 3.800 124.000 119.914 0.476 0.000 3.139 41 V HA 0.342 4.451 4.120 -0.017 0.000 0.307 41 V C -0.331 175.889 176.094 0.209 0.000 1.095 41 V CA 0.387 62.823 62.300 0.228 0.000 1.160 41 V CB 1.016 32.935 31.823 0.161 0.000 1.003 41 V HN 0.999 nan 8.190 nan 0.000 0.489 42 H N 5.143 124.189 119.070 -0.040 0.000 3.188 42 H HA 0.301 4.847 4.556 -0.017 0.000 0.325 42 H C -2.401 172.914 175.328 -0.022 0.000 1.033 42 H CA -1.586 54.468 56.048 0.010 0.000 1.443 42 H CB 2.191 31.999 29.762 0.077 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 1.027 178.463 177.300 0.228 0.000 1.158 43 P CA 1.611 64.810 63.100 0.166 0.000 0.887 43 P CB 0.767 32.493 31.700 0.044 0.000 0.792 44 K N -1.149 119.502 120.400 0.418 0.000 2.056 44 K HA 0.054 4.363 4.320 -0.017 0.000 0.205 44 K C 1.236 177.811 176.600 -0.041 0.000 1.035 44 K CA 0.741 57.123 56.287 0.158 0.000 0.955 44 K CB -0.243 32.361 32.500 0.174 0.000 0.769 44 K HN 0.096 nan 8.250 nan 0.000 0.447 45 Q N 0.132 119.696 119.800 -0.393 0.000 2.261 45 Q HA 0.150 4.480 4.340 -0.017 0.000 0.252 45 Q C 0.662 176.574 176.000 -0.147 0.000 0.915 45 Q CA -0.216 55.394 55.803 -0.322 0.000 0.915 45 Q CB 1.796 30.294 28.738 -0.399 0.000 1.204 45 Q HN 0.148 nan 8.270 nan 0.000 0.421 46 S N 1.995 117.709 115.700 0.023 0.000 2.389 46 S HA -0.145 4.314 4.470 -0.017 0.000 0.229 46 S C -0.166 174.274 174.600 -0.267 0.000 1.048 46 S CA 1.515 59.662 58.200 -0.089 0.000 1.117 46 S CB 0.057 63.242 63.200 -0.025 0.000 1.020 46 S HN 0.469 nan 8.310 nan 0.000 0.430 47 F N -1.015 119.034 119.950 0.166 0.000 2.607 47 F HA 0.579 5.095 4.527 -0.017 0.000 0.322 47 F C -0.178 175.836 175.800 0.357 0.000 1.176 47 F CA -0.697 57.433 58.000 0.218 0.000 0.977 47 F CB 1.497 40.560 39.000 0.105 0.000 1.242 47 F HN -0.076 nan 8.300 nan 0.000 0.465 51 T N 1.326 115.834 114.554 -0.077 0.000 2.797 51 T HA 0.507 4.847 4.350 -0.017 0.000 0.279 51 T C 0.188 174.846 174.700 -0.070 0.000 0.991 51 T CA -0.429 61.613 62.100 -0.096 0.000 0.979 51 T CB 1.210 70.022 68.868 -0.094 0.000 0.943 51 T HN 0.416 nan 8.240 nan 0.000 0.444 52 I N 3.848 124.372 120.570 -0.077 0.000 2.533 52 I HA 0.119 4.279 4.170 -0.017 0.000 0.284 52 I C 1.360 177.445 176.117 -0.052 0.000 1.109 52 I CA 0.054 61.321 61.300 -0.057 0.000 1.412 52 I CB 0.433 38.398 38.000 -0.057 0.000 1.396 52 I HN 0.686 nan 8.210 nan 0.000 0.543 53 Q N 4.042 123.818 119.800 -0.039 0.000 2.240 53 Q HA 0.125 4.454 4.340 -0.017 0.000 0.194 53 Q C 0.583 176.564 176.000 -0.031 0.000 0.982 53 Q CA 0.807 56.590 55.803 -0.035 0.000 0.842 53 Q CB 0.087 28.809 28.738 -0.028 0.000 0.941 53 Q HN 0.814 nan 8.270 nan 0.000 0.516 57 G N 0.603 109.396 108.800 -0.012 0.000 2.245 57 G HA2 -0.272 3.677 3.960 -0.017 0.000 0.264 57 G HA3 -0.272 3.677 3.960 -0.017 0.000 0.264 57 G C 0.516 175.410 174.900 -0.011 0.000 0.985 57 G CA 0.498 45.591 45.100 -0.011 0.000 0.625 57 G HN 0.818 nan 8.290 nan 0.000 0.536 61 T N 2.261 116.803 114.554 -0.019 0.000 2.771 61 T HA 0.879 5.219 4.350 -0.017 0.000 0.281 61 T C -0.388 174.301 174.700 -0.018 0.000 0.982 61 T CA -0.684 61.406 62.100 -0.018 0.000 0.978 61 T CB 1.866 70.723 68.868 -0.018 0.000 0.930 61 T HN 0.531 nan 8.240 nan 0.000 0.447 65 E N 0.569 120.804 120.200 0.059 0.000 2.267 65 E HA 0.496 4.836 4.350 -0.017 0.000 0.241 65 E C 0.488 177.131 176.600 0.072 0.000 0.950 65 E CA 0.037 56.468 56.400 0.051 0.000 0.776 65 E CB 0.353 30.081 29.700 0.048 0.000 1.207 65 E HN 0.945 nan 8.360 nan 0.000 0.436 66 G N 1.829 110.663 108.800 0.057 0.000 3.259 66 G HA2 -0.037 3.913 3.960 -0.017 0.000 0.217 66 G HA3 -0.037 3.913 3.960 -0.017 0.000 0.217 66 G C 0.423 175.352 174.900 0.047 0.000 0.993 66 G CA -0.168 44.967 45.100 0.057 0.000 0.836 66 G HN 0.802 nan 8.290 nan 0.000 0.514 67 G N -0.177 108.651 108.800 0.046 0.000 3.055 67 G HA2 0.437 4.387 3.960 -0.017 0.000 0.654 67 G HA3 0.437 4.387 3.960 -0.017 0.000 0.654 67 G C -0.703 174.220 174.900 0.037 0.000 1.134 67 G CA 0.826 45.945 45.100 0.032 0.000 1.049 67 G HN 1.306 nan 8.290 nan 0.000 0.458 68 E N 0.297 120.517 120.200 0.033 0.000 2.388 68 E HA 0.736 5.076 4.350 -0.017 0.000 0.281 68 E C -0.388 176.217 176.600 0.009 0.000 1.046 68 E CA -0.374 56.041 56.400 0.024 0.000 0.825 68 E CB 1.529 31.255 29.700 0.042 0.000 1.243 68 E HN 0.753 nan 8.360 nan 0.000 0.438 69 T N 1.501 116.050 114.554 -0.008 0.000 2.841 69 T HA 0.710 5.049 4.350 -0.017 0.000 0.285 69 T C -0.846 173.837 174.700 -0.028 0.000 0.991 69 T CA -0.659 61.432 62.100 -0.014 0.000 0.966 69 T CB 0.884 69.745 68.868 -0.011 0.000 0.962 69 T HN 0.300 nan 8.240 nan 0.000 0.438 70 L N 2.160 123.365 121.223 -0.029 0.000 2.422 70 L HA 0.628 4.957 4.340 -0.017 0.000 0.264 70 L C -0.318 176.537 176.870 -0.025 0.000 0.984 70 L CA -0.474 54.342 54.840 -0.040 0.000 0.819 70 L CB 2.787 44.808 42.059 -0.063 0.000 1.330 70 L HN 0.775 nan 8.230 nan 0.000 0.410 71 T N 2.414 116.953 114.554 -0.025 0.000 2.801 71 T HA 0.561 4.901 4.350 -0.017 0.000 0.306 71 T C -0.530 174.159 174.700 -0.017 0.000 1.020 71 T CA -0.321 61.767 62.100 -0.019 0.000 0.948 71 T CB 1.042 69.900 68.868 -0.017 0.000 0.962 71 T HN 0.193 nan 8.240 nan 0.000 0.465 72 V N 3.358 123.264 119.914 -0.013 0.000 2.864 72 V HA 0.446 4.556 4.120 -0.017 0.000 0.314 72 V C 0.436 176.520 176.094 -0.016 0.000 1.073 72 V CA -1.160 61.134 62.300 -0.009 0.000 0.956 72 V CB 2.324 34.150 31.823 0.005 0.000 1.023 72 V HN 0.737 nan 8.190 nan 0.000 0.435 73 K N 1.494 121.884 120.400 -0.016 0.000 2.414 73 K HA -0.132 4.178 4.320 -0.017 0.000 0.266 73 K C 1.235 177.807 176.600 -0.047 0.000 0.976 73 K CA 1.181 57.454 56.287 -0.024 0.000 0.884 73 K CB 0.112 32.602 32.500 -0.017 0.000 0.959 73 K HN 0.779 nan 8.250 nan 0.000 0.531 74 E N 0.286 120.457 120.200 -0.049 0.000 2.107 74 E HA -0.139 4.201 4.350 -0.017 0.000 0.191 74 E C 0.109 176.636 176.600 -0.123 0.000 0.982 74 E CA 1.306 57.666 56.400 -0.067 0.000 0.809 74 E CB 0.171 29.845 29.700 -0.044 0.000 0.756 74 E HN 0.499 nan 8.360 nan 0.000 0.459 75 D N -0.645 119.684 120.400 -0.117 0.000 2.561 75 D HA 0.066 4.696 4.640 -0.017 0.000 0.232 75 D C 0.435 176.569 176.300 -0.276 0.000 1.198 75 D CA 0.009 53.890 54.000 -0.198 0.000 0.826 75 D CB 0.349 41.076 40.800 -0.122 0.000 0.992 75 D HN 0.003 nan 8.370 nan 0.000 0.490 76 Q N -0.693 118.950 119.800 -0.261 0.000 2.189 76 Q HA 0.268 4.598 4.340 -0.017 0.000 0.223 76 Q C -0.783 175.090 176.000 -0.211 0.000 0.828 76 Q CA 0.023 55.753 55.803 -0.121 0.000 0.967 76 Q CB 1.315 30.058 28.738 0.008 0.000 1.139 76 Q HN 0.047 nan 8.270 nan 0.000 0.497 77 V N 1.547 121.171 119.914 -0.483 0.000 2.417 77 V HA 0.501 4.611 4.120 -0.017 0.000 0.291 77 V C -1.134 174.604 176.094 -0.594 0.000 1.024 77 V CA -0.483 61.614 62.300 -0.338 0.000 0.861 77 V CB 1.090 32.824 31.823 -0.149 0.000 0.985 77 V HN 0.101 nan 8.190 nan 0.000 0.436 78 F N 1.813 121.836 119.950 0.121 0.000 2.547 78 F HA 0.508 5.025 4.527 -0.017 0.000 0.316 78 F C 0.740 176.629 175.800 0.148 0.000 1.121 78 F CA -0.587 57.503 58.000 0.150 0.000 0.911 78 F CB 1.842 40.768 39.000 -0.124 0.000 1.179 78 F HN 0.353 nan 8.300 nan 0.000 0.443 79 S N 2.493 118.483 115.700 0.483 0.000 2.589 79 S HA 0.260 4.720 4.470 -0.017 0.000 0.256 79 S C -0.314 174.393 174.600 0.180 0.000 1.383 79 S CA -0.135 58.222 58.200 0.261 0.000 0.983 79 S CB 0.334 63.679 63.200 0.241 0.000 0.908 79 S HN 0.694 nan 8.310 nan 0.000 0.572 80 M N 2.131 121.687 119.600 -0.073 0.000 2.267 80 M HA 0.316 4.785 4.480 -0.017 0.000 0.289 80 M C -1.073 175.183 176.300 -0.073 0.000 1.043 80 M CA -0.555 54.683 55.300 -0.103 0.000 0.928 80 M CB 1.053 33.468 32.600 -0.308 0.000 1.613 80 M HN 0.508 nan 8.290 nan 0.000 0.450 81 N N 5.714 124.379 118.700 -0.058 0.000 2.454 81 N HA 0.214 4.943 4.740 -0.017 0.000 0.254 81 N C -2.501 172.820 175.510 -0.314 0.000 1.228 81 N CA -0.523 52.488 53.050 -0.065 0.000 0.900 81 N CB 0.312 38.859 38.487 0.100 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 -2.354 174.563 177.300 -0.639 0.000 1.217 82 P CA -0.707 61.886 63.100 -0.844 0.000 0.783 82 P CB -0.467 31.019 31.700 -0.356 0.000 0.898 89 E N 2.051 122.338 120.200 0.146 0.000 2.118 89 E HA -0.182 4.158 4.350 -0.017 0.000 0.195 89 E C 0.168 176.926 176.600 0.262 0.000 0.992 89 E CA 1.242 57.749 56.400 0.179 0.000 0.804 89 E CB 0.304 30.135 29.700 0.218 0.000 0.741 89 E HN 0.381 nan 8.360 nan 0.000 0.458 90 D N -0.789 119.754 120.400 0.239 0.000 2.420 90 D HA 0.125 4.755 4.640 -0.017 0.000 0.255 90 D C 0.640 177.016 176.300 0.126 0.000 1.185 90 D CA -0.170 53.967 54.000 0.228 0.000 0.904 90 D CB 0.678 41.593 40.800 0.191 0.000 1.102 90 D HN -0.042 nan 8.370 nan 0.000 0.534 91 M N 1.482 121.148 119.600 0.110 0.000 2.337 91 M HA -0.141 4.328 4.480 -0.017 0.000 0.261 91 M C 1.740 178.036 176.300 -0.006 0.000 1.067 91 M CA 1.176 56.504 55.300 0.046 0.000 1.074 91 M CB -0.115 32.512 32.600 0.045 0.000 1.395 91 M HN 0.359 nan 8.290 nan 0.000 0.431 92 A N -0.492 122.339 122.820 0.018 0.000 2.255 92 A HA 0.089 4.399 4.320 -0.017 0.000 0.206 92 A C 1.890 179.406 177.584 -0.113 0.000 1.193 92 A CA 0.651 52.673 52.037 -0.025 0.000 0.794 92 A CB -0.589 18.428 19.000 0.028 0.000 0.794 92 A HN 0.526 nan 8.150 nan 0.000 0.481 93 M N -1.423 118.107 119.600 -0.117 0.000 2.367 93 M HA 0.284 4.753 4.480 -0.017 0.000 0.256 93 M C 0.315 176.442 176.300 -0.287 0.000 1.091 93 M CA 0.002 55.189 55.300 -0.188 0.000 1.049 93 M CB 0.077 32.640 32.600 -0.061 0.000 1.406 93 M HN 0.371 nan 8.290 nan 0.000 0.498 94 M N -0.307 119.089 119.600 -0.340 0.000 2.252 94 M HA -0.095 4.374 4.480 -0.017 0.000 0.321 94 M C 1.278 177.263 176.300 -0.525 0.000 1.070 94 M CA 0.789 55.709 55.300 -0.633 0.000 1.143 94 M CB 0.388 32.774 32.600 -0.356 0.000 1.498 94 M HN -0.088 nan 8.290 nan 0.000 0.445 95 T N -0.029 114.173 114.554 -0.588 0.000 3.122 95 T HA 0.134 4.473 4.350 -0.017 0.000 0.250 95 T C -0.668 173.853 174.700 -0.299 0.000 1.067 95 T CA 0.277 62.196 62.100 -0.302 0.000 0.966 95 T CB -0.282 68.518 68.868 -0.113 0.000 1.002 95 T HN 0.577 nan 8.240 nan 0.000 0.542 96 H N 0.865 119.757 119.070 -0.297 0.000 2.917 96 H HA 0.395 4.941 4.556 -0.017 0.000 0.279 96 H C -1.230 173.898 175.328 -0.333 0.000 1.211 96 H CA -0.698 55.174 56.048 -0.294 0.000 1.534 96 H CB 0.566 30.229 29.762 -0.166 0.000 1.581 96 H HN 0.051 nan 8.280 nan 0.000 0.510 97 L N 4.052 125.111 121.223 -0.272 0.000 2.358 97 L HA 0.250 4.580 4.340 -0.017 0.000 0.274 97 L C 0.106 176.843 176.870 -0.222 0.000 1.136 97 L CA 0.095 54.818 54.840 -0.196 0.000 0.970 97 L CB -1.305 40.665 42.059 -0.149 0.000 1.314 97 L HN 0.717 nan 8.230 nan 0.000 0.427 98 H N -0.725 118.291 119.070 -0.089 0.000 2.896 98 H HA 0.318 4.864 4.556 -0.017 0.000 0.318 98 H C 0.558 175.704 175.328 -0.303 0.000 1.409 98 H CA -0.656 55.278 56.048 -0.190 0.000 1.328 98 H CB 1.816 31.388 29.762 -0.316 0.000 1.940 98 H HN 0.389 nan 8.280 nan 0.000 0.665 99 E N 0.225 120.250 120.200 -0.292 0.000 2.042 99 E HA -0.023 4.316 4.350 -0.017 0.000 0.189 99 E C -1.032 175.188 176.600 -0.633 0.000 0.974 99 E CA 0.265 56.416 56.400 -0.414 0.000 0.806 99 E CB -0.552 28.916 29.700 -0.387 0.000 0.769 99 E HN 0.415 nan 8.360 nan 0.000 0.451 100 P HA -0.131 nan 4.420 nan 0.000 0.215 100 P C 0.994 177.736 177.300 -0.930 0.000 1.157 100 P CA 1.848 64.168 63.100 -1.300 0.000 0.863 100 P CB -0.107 30.460 31.700 -1.888 0.000 0.787 101 A N -0.625 121.751 122.820 -0.740 0.000 2.032 101 A HA -0.154 4.156 4.320 -0.017 0.000 0.221 101 A C 2.317 179.819 177.584 -0.137 0.000 1.165 101 A CA 1.745 53.621 52.037 -0.270 0.000 0.645 101 A CB -1.682 17.444 19.000 0.210 0.000 0.807 101 A HN 0.090 nan 8.150 nan 0.000 0.453 102 V N -0.564 119.241 119.914 -0.181 0.000 2.446 102 V HA -0.133 3.977 4.120 -0.017 0.000 0.244 102 V C 2.390 178.393 176.094 -0.151 0.000 1.039 102 V CA 1.553 63.780 62.300 -0.121 0.000 1.045 102 V CB -0.482 31.275 31.823 -0.110 0.000 0.681 102 V HN 0.630 nan 8.190 nan 0.000 0.459 103 L N -0.092 120.987 121.223 -0.240 0.000 1.994 103 L HA -0.166 4.164 4.340 -0.017 0.000 0.208 103 L C 2.282 178.966 176.870 -0.311 0.000 1.071 103 L CA 2.224 56.882 54.840 -0.302 0.000 0.745 103 L CB -1.148 40.669 42.059 -0.403 0.000 0.892 103 L HN 0.360 nan 8.230 nan 0.000 0.431 104 Y N 0.048 120.168 120.300 -0.301 0.000 2.256 104 Y HA -0.248 4.292 4.550 -0.017 0.000 0.288 104 Y C 2.663 178.531 175.900 -0.054 0.000 1.155 104 Y CA 2.018 60.015 58.100 -0.171 0.000 1.203 104 Y CB -0.628 37.727 38.460 -0.175 0.000 0.980 104 Y HN 0.475 nan 8.280 nan 0.000 0.530 105 N N -0.440 118.298 118.700 0.065 0.000 2.216 105 N HA -0.093 4.637 4.740 -0.017 0.000 0.183 105 N C 0.481 176.009 175.510 0.030 0.000 1.017 105 N CA 0.239 53.329 53.050 0.066 0.000 0.861 105 N CB -0.150 38.372 38.487 0.059 0.000 0.986 105 N HN -0.023 nan 8.380 nan 0.000 0.428 109 R N 0.501 121.030 120.500 0.047 0.000 2.319 109 R HA 0.111 4.441 4.340 -0.017 0.000 0.204 109 R C 1.513 177.845 176.300 0.053 0.000 0.954 109 R CA 0.719 56.842 56.100 0.039 0.000 1.066 109 R CB -0.133 30.194 30.300 0.045 0.000 0.991 109 R HN 0.152 nan 8.270 nan 0.000 0.486 110 Y N 0.918 121.144 120.300 -0.123 0.000 2.464 110 Y HA 0.370 4.910 4.550 -0.017 0.000 0.288 110 Y C 2.272 177.948 175.900 -0.374 0.000 1.133 110 Y CA 0.192 58.184 58.100 -0.180 0.000 1.223 110 Y CB -0.122 38.249 38.460 -0.148 0.000 1.187 110 Y HN 0.057 nan 8.280 nan 0.000 0.539 111 A N 0.254 122.839 122.820 -0.393 0.000 2.178 111 A HA 0.132 4.442 4.320 -0.017 0.000 0.218 111 A C 1.913 179.082 177.584 -0.691 0.000 1.157 111 A CA 1.404 53.077 52.037 -0.608 0.000 0.689 111 A CB -1.082 17.751 19.000 -0.277 0.000 0.787 111 A HN 0.515 nan 8.150 nan 0.000 0.465 112 A N -3.314 119.258 122.820 -0.413 0.000 2.430 112 A HA 0.417 4.727 4.320 -0.017 0.000 0.243 112 A C 0.359 177.963 177.584 0.033 0.000 1.254 112 A CA -0.184 51.747 52.037 -0.177 0.000 0.914 112 A CB -0.429 18.539 19.000 -0.052 0.000 0.998 112 A HN 0.713 nan 8.150 nan 0.000 0.515 113 W N -1.483 119.784 121.300 -0.054 0.000 4.301 113 W HA -0.170 4.480 4.660 -0.018 0.000 0.360 113 W C -0.555 176.005 176.519 0.069 0.000 1.371 113 W CA 0.770 58.111 57.345 -0.007 0.000 0.781 113 W CB -2.345 27.186 29.460 0.120 0.000 2.488 113 W HN 0.403 nan 8.180 nan 0.000 1.350 114 M N 0.892 120.587 119.600 0.158 0.000 2.066 114 M HA 0.275 4.744 4.480 -0.017 0.000 0.340 114 M C 1.522 177.846 176.300 0.040 0.000 1.053 114 M CA -0.182 55.181 55.300 0.104 0.000 0.983 114 M CB 0.663 33.307 32.600 0.073 0.000 1.520 114 M HN 0.102 nan 8.290 nan 0.000 0.428 115 I N -0.765 119.728 120.570 -0.128 0.000 3.226 115 I HA 0.112 4.271 4.170 -0.017 0.000 0.277 115 I C -0.517 175.292 176.117 -0.513 0.000 1.243 115 I CA 0.532 61.636 61.300 -0.326 0.000 1.459 115 I CB 0.126 37.823 38.000 -0.505 0.000 1.093 115 I HN 0.387 nan 8.210 nan 0.000 0.453 116 Y N 2.147 122.426 120.300 -0.036 0.000 2.402 116 Y HA 0.547 5.087 4.550 -0.017 0.000 0.332 116 Y C 0.320 176.124 175.900 -0.161 0.000 0.960 116 Y CA -1.177 56.856 58.100 -0.111 0.000 1.228 116 Y CB 1.225 39.592 38.460 -0.155 0.000 1.120 116 Y HN -0.050 nan 8.280 nan 0.000 0.491 117 T N 3.175 117.736 114.554 0.011 0.000 2.861 117 T HA 0.589 4.929 4.350 -0.017 0.000 0.287 117 T C -1.114 173.579 174.700 -0.013 0.000 1.003 117 T CA -0.551 61.528 62.100 -0.035 0.000 0.977 117 T CB 0.422 69.299 68.868 0.014 0.000 0.996 117 T HN 0.296 nan 8.240 nan 0.000 0.448 118 Y N 2.214 122.599 120.300 0.142 0.000 2.307 118 Y HA 0.557 5.097 4.550 -0.017 0.000 0.324 118 Y C 1.290 177.274 175.900 0.139 0.000 1.238 118 Y CA -0.785 57.407 58.100 0.152 0.000 1.280 118 Y CB 1.679 40.224 38.460 0.142 0.000 1.248 118 Y HN 0.649 nan 8.280 nan 0.000 0.508 119 S N 1.251 117.175 115.700 0.373 0.000 2.327 119 S HA 0.553 5.013 4.470 -0.017 0.000 0.203 119 S C 0.325 175.062 174.600 0.228 0.000 1.326 119 S CA 0.267 58.631 58.200 0.273 0.000 1.248 119 S CB -0.940 62.416 63.200 0.260 0.000 1.199 119 S HN 1.248 nan 8.310 nan 0.000 0.422 120 G N 2.034 110.916 108.800 0.136 0.000 3.110 120 G HA2 -0.194 3.755 3.960 -0.017 0.000 0.238 120 G HA3 -0.194 3.755 3.960 -0.017 0.000 0.238 120 G C 0.262 175.139 174.900 -0.037 0.000 1.647 120 G CA 0.080 45.185 45.100 0.010 0.000 1.146 120 G HN 0.533 nan 8.290 nan 0.000 0.545 121 L N 1.109 122.235 121.223 -0.162 0.000 2.515 121 L HA 0.478 4.807 4.340 -0.017 0.000 0.223 121 L C 1.083 178.013 176.870 0.100 0.000 1.079 121 L CA -0.147 54.657 54.840 -0.059 0.000 0.857 121 L CB -0.037 42.002 42.059 -0.035 0.000 1.050 121 L HN 0.278 nan 8.230 nan 0.000 0.476 122 F N -0.813 119.280 119.950 0.238 0.000 2.535 122 F HA 0.036 4.552 4.527 -0.018 0.000 0.332 122 F C 0.719 176.706 175.800 0.311 0.000 1.208 122 F CA -0.921 57.213 58.000 0.224 0.000 1.330 122 F CB 0.170 39.228 39.000 0.096 0.000 1.167 122 F HN -0.205 nan 8.300 nan 0.000 0.597 123 C N 3.885 123.493 119.300 0.512 0.000 2.814 123 C HA 0.652 5.102 4.460 -0.017 0.000 0.269 123 C C -0.543 174.577 174.990 0.216 0.000 1.090 123 C CA -0.689 58.545 59.018 0.360 0.000 1.492 123 C CB -1.463 26.437 27.740 0.267 0.000 1.825 123 C HN 0.495 nan 8.230 nan 0.000 0.442 124 V N 4.991 125.010 119.914 0.176 0.000 2.763 124 V HA 0.337 4.447 4.120 -0.017 0.000 0.306 124 V C 0.803 176.960 176.094 0.105 0.000 1.059 124 V CA 0.792 63.140 62.300 0.079 0.000 1.138 124 V CB 1.274 33.114 31.823 0.029 0.000 0.940 124 V HN 0.852 nan 8.190 nan 0.000 0.489 125 T N 3.495 118.078 114.554 0.049 0.000 3.011 125 T HA 0.513 4.853 4.350 -0.017 0.000 0.303 125 T C -0.690 173.945 174.700 -0.107 0.000 0.997 125 T CA -0.356 61.766 62.100 0.037 0.000 1.007 125 T CB 1.520 70.484 68.868 0.161 0.000 1.017 125 T HN 0.457 nan 8.240 nan 0.000 0.443 126 V N 3.678 123.466 119.914 -0.209 0.000 2.459 126 V HA 0.445 4.555 4.120 -0.017 0.000 0.295 126 V C 0.580 176.519 176.094 -0.258 0.000 1.029 126 V CA -1.218 60.906 62.300 -0.294 0.000 0.874 126 V CB 1.545 33.078 31.823 -0.484 0.000 0.985 126 V HN 0.892 nan 8.190 nan 0.000 0.438 127 N N 5.552 124.055 118.700 -0.328 0.000 2.417 127 N HA 0.054 4.784 4.740 -0.017 0.000 0.272 127 N C -1.444 173.818 175.510 -0.413 0.000 1.304 127 N CA -1.069 51.709 53.050 -0.454 0.000 0.906 127 N CB 1.202 39.231 38.487 -0.764 0.000 1.135 127 N HN 0.487 nan 8.380 nan 0.000 0.483 128 P HA -0.097 nan 4.420 nan 0.000 0.215 128 P C -0.539 176.810 177.300 0.081 0.000 1.157 128 P CA 1.022 64.127 63.100 0.008 0.000 0.863 128 P CB 0.095 31.758 31.700 -0.062 0.000 0.787 132 L N 5.486 125.952 121.223 -1.262 0.000 2.445 132 L HA 0.545 4.874 4.340 -0.017 0.000 0.262 132 L C -1.745 174.077 176.870 -1.747 0.000 0.974 132 L CA -1.838 52.254 54.840 -1.248 0.000 0.822 132 L CB 2.700 44.275 42.059 -0.807 0.000 1.339 132 L HN 0.211 nan 8.230 nan 0.000 0.409 133 P HA 0.031 nan 4.420 nan 0.000 0.258 133 P C 1.047 178.310 177.300 -0.062 0.000 1.319 133 P CA 0.312 63.164 63.100 -0.413 0.000 0.785 133 P CB 0.198 31.951 31.700 0.089 0.000 1.252 134 V N -1.482 118.407 119.914 -0.040 0.000 2.719 134 V HA -0.161 3.948 4.120 -0.017 0.000 0.252 134 V C 1.520 177.935 176.094 0.534 0.000 1.065 134 V CA 1.508 63.989 62.300 0.303 0.000 1.086 134 V CB -1.278 30.747 31.823 0.336 0.000 0.700 134 V HN 0.076 nan 8.190 nan 0.000 0.467 135 Y N -0.126 120.278 120.300 0.173 0.000 2.471 135 Y HA 0.231 4.771 4.550 -0.018 0.000 0.286 135 Y C 1.171 177.234 175.900 0.273 0.000 1.188 135 Y CA -1.159 57.149 58.100 0.347 0.000 1.286 135 Y CB -1.348 37.248 38.460 0.225 0.000 1.072 135 Y HN 0.300 nan 8.280 nan 0.000 0.517 136 N N 3.238 122.150 118.700 0.352 0.000 2.359 136 N HA -0.043 4.686 4.740 -0.017 0.000 0.261 136 N C -2.307 173.291 175.510 0.146 0.000 1.267 136 N CA -0.927 52.273 53.050 0.250 0.000 0.864 136 N CB 0.637 39.261 38.487 0.229 0.000 1.063 136 N HN 0.038 nan 8.380 nan 0.000 0.474 140 V N 1.101 120.837 119.914 -0.298 0.000 2.277 140 V HA -0.351 3.759 4.120 -0.017 0.000 0.253 140 V C 2.310 178.313 176.094 -0.152 0.000 1.067 140 V CA 3.119 65.189 62.300 -0.383 0.000 1.047 140 V CB -0.506 31.129 31.823 -0.312 0.000 0.649 140 V HN 0.485 nan 8.190 nan 0.000 0.447 141 L N -0.168 120.963 121.223 -0.153 0.000 2.044 141 L HA -0.019 4.311 4.340 -0.017 0.000 0.205 141 L C 2.627 179.414 176.870 -0.138 0.000 1.075 141 L CA 2.051 56.811 54.840 -0.134 0.000 0.747 141 L CB -1.206 40.767 42.059 -0.143 0.000 0.903 141 L HN 0.262 nan 8.230 nan 0.000 0.435 142 A N -1.089 121.586 122.820 -0.241 0.000 1.917 142 A HA -0.268 4.042 4.320 -0.017 0.000 0.219 142 A C 2.068 179.499 177.584 -0.255 0.000 1.182 142 A CA 1.844 53.630 52.037 -0.418 0.000 0.633 142 A CB -1.064 17.369 19.000 -0.945 0.000 0.819 142 A HN 0.457 nan 8.150 nan 0.000 0.448 143 Y N -1.023 119.258 120.300 -0.032 0.000 2.529 143 Y HA 0.175 4.715 4.550 -0.017 0.000 0.290 143 Y C 1.039 176.978 175.900 0.065 0.000 1.177 143 Y CA 0.286 58.428 58.100 0.070 0.000 1.305 143 Y CB -0.052 38.463 38.460 0.091 0.000 1.047 143 Y HN 0.153 nan 8.280 nan 0.000 0.522 144 R N 0.779 121.361 120.500 0.136 0.000 2.242 144 R HA 0.374 4.704 4.340 -0.017 0.000 0.334 144 R C 0.771 177.106 176.300 0.058 0.000 1.071 144 R CA 0.106 56.263 56.100 0.094 0.000 0.922 144 R CB -0.392 29.911 30.300 0.005 0.000 1.023 144 R HN 0.396 nan 8.270 nan 0.000 0.458 145 G N 2.754 111.603 108.800 0.081 0.000 2.132 145 G HA2 -0.252 3.698 3.960 -0.017 0.000 0.234 145 G HA3 -0.252 3.698 3.960 -0.017 0.000 0.234 145 G C -0.459 174.462 174.900 0.035 0.000 0.989 145 G CA 0.092 45.220 45.100 0.047 0.000 0.676 145 G HN 0.478 nan 8.290 nan 0.000 0.522 146 K N 1.162 121.606 120.400 0.073 0.000 2.265 146 K HA 0.536 4.846 4.320 -0.017 0.000 0.267 146 K C 0.637 177.292 176.600 0.092 0.000 0.994 146 K CA -0.744 55.593 56.287 0.084 0.000 0.860 146 K CB 0.871 33.454 32.500 0.138 0.000 1.099 146 K HN 0.090 nan 8.250 nan 0.000 0.448 147 K N 1.810 122.237 120.400 0.045 0.000 2.336 147 K HA 0.012 4.321 4.320 -0.017 0.000 0.262 147 K C 0.971 177.645 176.600 0.123 0.000 0.992 147 K CA 0.009 56.321 56.287 0.041 0.000 0.927 147 K CB 0.311 32.812 32.500 0.001 0.000 0.956 147 K HN 0.637 nan 8.250 nan 0.000 0.495 148 R N 0.474 121.054 120.500 0.133 0.000 2.369 148 R HA -0.098 4.232 4.340 -0.017 0.000 0.200 148 R C 0.496 176.915 176.300 0.199 0.000 1.046 148 R CA 1.085 57.302 56.100 0.194 0.000 1.057 148 R CB -0.125 30.242 30.300 0.112 0.000 0.888 148 R HN 0.483 nan 8.270 nan 0.000 0.474 149 Q N 0.468 120.360 119.800 0.154 0.000 2.352 149 Q HA 0.094 4.423 4.340 -0.017 0.000 0.212 149 Q C 0.810 176.894 176.000 0.140 0.000 0.888 149 Q CA 0.415 56.310 55.803 0.153 0.000 0.934 149 Q CB 0.712 29.532 28.738 0.138 0.000 1.093 149 Q HN 0.505 nan 8.270 nan 0.000 0.523 150 E N 0.275 120.554 120.200 0.132 0.000 2.478 150 E HA 0.244 4.583 4.350 -0.017 0.000 0.194 150 E C -0.121 176.561 176.600 0.137 0.000 1.045 150 E CA 0.167 56.634 56.400 0.111 0.000 0.868 150 E CB 0.649 30.399 29.700 0.083 0.000 0.885 150 E HN 0.220 nan 8.360 nan 0.000 0.505 151 A N 1.683 124.621 122.820 0.196 0.000 2.587 151 A HA 0.525 4.835 4.320 -0.017 0.000 0.293 151 A C -2.784 174.978 177.584 0.297 0.000 1.087 151 A CA -1.557 50.610 52.037 0.216 0.000 0.692 151 A CB 1.139 20.273 19.000 0.223 0.000 1.291 151 A HN -0.184 nan 8.150 nan 0.000 0.407 152 P HA 0.356 nan 4.420 nan 0.000 0.272 152 P C -2.753 174.714 177.300 0.279 0.000 1.230 152 P CA -1.395 61.822 63.100 0.195 0.000 0.788 152 P CB -0.644 31.070 31.700 0.024 0.000 0.949 153 P HA 0.032 nan 4.420 nan 0.000 0.258 153 P C -0.415 176.824 177.300 -0.103 0.000 1.187 153 P CA 1.195 64.100 63.100 -0.324 0.000 0.767 153 P CB -0.253 31.090 31.700 -0.595 0.000 0.770 154 H N 1.614 120.422 119.070 -0.436 0.000 3.094 154 H HA 0.207 4.753 4.556 -0.017 0.000 0.335 154 H C 0.710 175.509 175.328 -0.883 0.000 1.254 154 H CA -0.777 54.769 56.048 -0.837 0.000 1.240 154 H CB 1.361 30.658 29.762 -0.776 0.000 1.936 154 H HN 0.125 nan 8.280 nan 0.000 0.536 155 I N 2.473 122.325 120.570 -1.198 0.000 2.361 155 I HA -0.262 3.898 4.170 -0.017 0.000 0.251 155 I C 1.186 176.624 176.117 -1.132 0.000 1.133 155 I CA 1.303 61.971 61.300 -1.053 0.000 1.413 155 I CB -0.049 37.274 38.000 -1.129 0.000 1.073 155 I HN 0.497 nan 8.210 nan 0.000 0.424 156 F N -0.520 118.575 119.950 -1.425 0.000 2.502 156 F HA -0.127 4.390 4.527 -0.017 0.000 0.298 156 F C 2.698 177.954 175.800 -0.907 0.000 1.111 156 F CA 0.710 57.918 58.000 -1.321 0.000 1.445 156 F CB -0.777 37.459 39.000 -1.273 0.000 1.081 156 F HN -0.050 nan 8.300 nan 0.000 0.558 157 S N 0.376 115.680 115.700 -0.661 0.000 2.355 157 S HA -0.148 4.312 4.470 -0.017 0.000 0.222 157 S C 2.155 176.674 174.600 -0.136 0.000 1.031 157 S CA 1.096 59.164 58.200 -0.219 0.000 0.993 157 S CB -0.370 62.853 63.200 0.039 0.000 0.859 157 S HN 0.213 nan 8.310 nan 0.000 0.453 158 I N 1.505 121.963 120.570 -0.185 0.000 2.142 158 I HA -0.173 3.986 4.170 -0.017 0.000 0.240 158 I C 2.666 178.666 176.117 -0.196 0.000 1.078 158 I CA 1.658 62.878 61.300 -0.133 0.000 1.343 158 I CB -0.465 37.480 38.000 -0.091 0.000 1.046 158 I HN 0.404 nan 8.210 nan 0.000 0.405 159 S N -0.819 114.703 115.700 -0.296 0.000 2.442 159 S HA -0.238 4.221 4.470 -0.017 0.000 0.236 159 S C 1.903 176.411 174.600 -0.153 0.000 1.007 159 S CA 1.680 59.707 58.200 -0.289 0.000 0.965 159 S CB -0.395 62.401 63.200 -0.673 0.000 0.773 159 S HN 0.540 nan 8.310 nan 0.000 0.504 160 D N 0.741 121.062 120.400 -0.131 0.000 2.259 160 D HA 0.020 4.650 4.640 -0.017 0.000 0.216 160 D C 1.766 178.157 176.300 0.153 0.000 0.961 160 D CA 0.381 54.450 54.000 0.115 0.000 0.878 160 D CB -0.288 40.601 40.800 0.149 0.000 1.009 160 D HN 0.418 nan 8.370 nan 0.000 0.490 161 N N 0.880 119.613 118.700 0.055 0.000 2.149 161 N HA -0.152 4.577 4.740 -0.017 0.000 0.188 161 N C 1.854 177.482 175.510 0.197 0.000 1.019 161 N CA 1.002 54.086 53.050 0.057 0.000 0.857 161 N CB 0.040 38.579 38.487 0.086 0.000 0.997 161 N HN 0.157 nan 8.380 nan 0.000 0.426 162 A N 0.957 123.812 122.820 0.059 0.000 1.851 162 A HA -0.229 4.081 4.320 -0.017 0.000 0.216 162 A C 2.097 179.820 177.584 0.232 0.000 1.195 162 A CA 1.284 53.357 52.037 0.059 0.000 0.622 162 A CB -1.211 17.837 19.000 0.080 0.000 0.831 162 A HN 0.377 nan 8.150 nan 0.000 0.444 163 Y N 0.545 120.934 120.300 0.147 0.000 2.081 163 Y HA -0.308 4.231 4.550 -0.018 0.000 0.280 163 Y C 2.656 178.558 175.900 0.004 0.000 1.163 163 Y CA 2.295 60.427 58.100 0.054 0.000 1.135 163 Y CB -0.673 37.875 38.460 0.146 0.000 0.970 163 Y HN 0.474 nan 8.280 nan 0.000 0.498 164 Q N -1.161 118.692 119.800 0.088 0.000 1.927 164 Q HA -0.256 4.074 4.340 -0.017 0.000 0.210 164 Q C 2.180 178.124 176.000 -0.093 0.000 1.001 164 Q CA 2.132 57.885 55.803 -0.084 0.000 0.862 164 Q CB -0.704 27.929 28.738 -0.176 0.000 0.934 164 Q HN 0.434 nan 8.270 nan 0.000 0.420 165 F N 0.724 120.652 119.950 -0.037 0.000 2.141 165 F HA -0.323 4.194 4.527 -0.017 0.000 0.300 165 F C 2.376 178.114 175.800 -0.104 0.000 1.079 165 F CA 1.477 59.473 58.000 -0.006 0.000 1.264 165 F CB -0.548 38.520 39.000 0.113 0.000 1.011 165 F HN 0.247 nan 8.300 nan 0.000 0.487 166 M N -0.318 119.308 119.600 0.044 0.000 2.059 166 M HA -0.234 4.236 4.480 -0.017 0.000 0.259 166 M C 2.086 178.146 176.300 -0.401 0.000 1.072 166 M CA 2.043 57.215 55.300 -0.214 0.000 1.117 166 M CB -0.453 31.984 32.600 -0.271 0.000 1.320 166 M HN 0.179 nan 8.290 nan 0.000 0.408 167 L N -0.844 120.152 121.223 -0.378 0.000 2.156 167 L HA -0.109 4.220 4.340 -0.017 0.000 0.208 167 L C 2.300 179.054 176.870 -0.194 0.000 1.095 167 L CA 1.260 55.911 54.840 -0.315 0.000 0.770 167 L CB -1.359 40.536 42.059 -0.273 0.000 0.914 167 L HN 0.274 nan 8.230 nan 0.000 0.439 168 T N -0.309 114.166 114.554 -0.131 0.000 2.701 168 T HA -0.130 4.210 4.350 -0.017 0.000 0.263 168 T C 1.302 175.977 174.700 -0.041 0.000 1.040 168 T CA 1.725 63.784 62.100 -0.069 0.000 1.147 168 T CB -0.216 68.619 68.868 -0.055 0.000 0.865 168 T HN 0.366 nan 8.240 nan 0.000 0.426 169 D N 0.327 120.721 120.400 -0.010 0.000 2.348 169 D HA 0.097 4.727 4.640 -0.017 0.000 0.211 169 D C 0.621 176.860 176.300 -0.101 0.000 0.998 169 D CA 0.071 54.059 54.000 -0.020 0.000 0.873 169 D CB -0.062 40.761 40.800 0.037 0.000 0.925 169 D HN 0.249 nan 8.370 nan 0.000 0.524 170 R N 0.485 120.848 120.500 -0.229 0.000 3.531 170 R HA -0.153 4.176 4.340 -0.017 0.000 0.280 170 R C -0.621 175.521 176.300 -0.264 0.000 1.130 170 R CA 0.662 56.555 56.100 -0.345 0.000 0.757 170 R CB -2.292 27.951 30.300 -0.095 0.000 1.218 170 R HN 0.413 nan 8.270 nan 0.000 0.454 171 E N 0.537 120.575 120.200 -0.271 0.000 2.299 171 E HA 0.360 4.699 4.350 -0.017 0.000 0.265 171 E C -0.166 176.320 176.600 -0.189 0.000 0.911 171 E CA -1.065 55.244 56.400 -0.152 0.000 0.789 171 E CB 1.283 30.926 29.700 -0.096 0.000 1.246 171 E HN 0.111 nan 8.360 nan 0.000 0.427 172 N N 1.485 120.086 118.700 -0.164 0.000 2.445 172 N HA 0.183 4.912 4.740 -0.017 0.000 0.264 172 N C -0.365 175.002 175.510 -0.237 0.000 1.227 172 N CA -0.326 52.530 53.050 -0.323 0.000 0.963 172 N CB 0.974 38.997 38.487 -0.774 0.000 1.188 172 N HN 0.339 nan 8.380 nan 0.000 0.491 173 Q N -0.399 119.236 119.800 -0.275 0.000 2.495 173 Q HA 0.619 4.949 4.340 -0.017 0.000 0.283 173 Q C -1.054 174.914 176.000 -0.052 0.000 1.097 173 Q CA -0.679 55.073 55.803 -0.085 0.000 0.836 173 Q CB 1.864 30.607 28.738 0.008 0.000 1.426 173 Q HN 0.804 nan 8.270 nan 0.000 0.459 174 S N -0.647 115.078 115.700 0.042 0.000 2.565 174 S HA 0.802 5.261 4.470 -0.017 0.000 0.269 174 S C -1.405 173.244 174.600 0.083 0.000 1.153 174 S CA -0.729 57.531 58.200 0.100 0.000 0.835 174 S CB 0.782 64.063 63.200 0.134 0.000 1.122 174 S HN 0.425 nan 8.310 nan 0.000 0.462 175 I N 1.403 122.046 120.570 0.122 0.000 2.512 175 I HA 0.396 4.555 4.170 -0.017 0.000 0.287 175 I C -1.667 174.522 176.117 0.121 0.000 1.069 175 I CA -0.490 60.876 61.300 0.109 0.000 1.056 175 I CB 1.850 39.939 38.000 0.148 0.000 1.229 175 I HN 0.547 nan 8.210 nan 0.000 0.429 176 L N 7.801 129.073 121.223 0.080 0.000 2.277 176 L HA 0.515 4.845 4.340 -0.017 0.000 0.284 176 L C -0.401 176.580 176.870 0.185 0.000 1.028 176 L CA -0.045 54.884 54.840 0.148 0.000 0.835 176 L CB 0.724 42.883 42.059 0.166 0.000 1.215 176 L HN 0.394 nan 8.230 nan 0.000 0.425 177 I N 2.367 123.031 120.570 0.156 0.000 2.353 177 I HA 0.585 4.744 4.170 -0.017 0.000 0.293 177 I C 0.416 176.600 176.117 0.111 0.000 0.992 177 I CA 0.302 61.678 61.300 0.127 0.000 1.268 177 I CB 1.628 39.692 38.000 0.106 0.000 1.387 177 I HN 0.509 nan 8.210 nan 0.000 0.478 178 T N 3.483 118.087 114.554 0.084 0.000 3.012 178 T HA 0.767 5.107 4.350 -0.017 0.000 0.330 178 T C -0.644 174.072 174.700 0.027 0.000 1.321 178 T CA -0.649 61.489 62.100 0.064 0.000 1.067 178 T CB 1.796 70.709 68.868 0.074 0.000 1.235 178 T HN 0.943 nan 8.240 nan 0.000 0.479 179 G N 1.567 110.386 108.800 0.030 0.000 2.356 179 G HA2 0.507 4.456 3.960 -0.017 0.000 0.294 179 G HA3 0.507 4.456 3.960 -0.017 0.000 0.294 179 G C -1.554 173.365 174.900 0.031 0.000 1.423 179 G CA -0.870 44.239 45.100 0.014 0.000 0.806 179 G HN 0.690 nan 8.290 nan 0.000 0.527 180 E N 0.209 120.425 120.200 0.028 0.000 2.391 180 E HA 0.285 4.625 4.350 -0.017 0.000 0.255 180 E C 1.203 177.835 176.600 0.054 0.000 1.187 180 E CA 0.111 56.539 56.400 0.046 0.000 0.941 180 E CB 1.125 30.854 29.700 0.047 0.000 1.010 180 E HN 0.352 nan 8.360 nan 0.000 0.458 181 S N 0.845 116.587 115.700 0.071 0.000 2.414 181 S HA -0.217 4.243 4.470 -0.017 0.000 0.241 181 S C 1.590 176.226 174.600 0.061 0.000 1.079 181 S CA 1.976 60.215 58.200 0.065 0.000 1.087 181 S CB -0.477 62.767 63.200 0.073 0.000 0.927 181 S HN 0.699 nan 8.310 nan 0.000 0.456 182 G N -0.973 107.868 108.800 0.069 0.000 3.126 182 G HA2 0.456 4.406 3.960 -0.017 0.000 0.224 182 G HA3 0.456 4.406 3.960 -0.017 0.000 0.224 182 G C 1.241 176.190 174.900 0.082 0.000 1.142 182 G CA 0.586 45.740 45.100 0.090 0.000 0.759 182 G HN 0.571 nan 8.290 nan 0.000 0.550 183 A N 0.329 123.176 122.820 0.044 0.000 2.070 183 A HA 0.381 4.691 4.320 -0.017 0.000 0.220 183 A C 1.932 179.518 177.584 0.003 0.000 1.159 183 A CA 1.489 53.530 52.037 0.007 0.000 0.656 183 A CB -0.536 18.462 19.000 -0.004 0.000 0.800 183 A HN 1.628 nan 8.150 nan 0.000 0.453 184 G N -0.556 108.265 108.800 0.035 0.000 2.452 184 G HA2 -0.226 3.724 3.960 -0.017 0.000 0.275 184 G HA3 -0.226 3.724 3.960 -0.017 0.000 0.275 184 G C 0.404 175.333 174.900 0.049 0.000 1.131 184 G CA 0.507 45.633 45.100 0.043 0.000 1.031 184 G HN 0.646 nan 8.290 nan 0.000 0.511 185 K N -0.489 119.940 120.400 0.048 0.000 2.067 185 K HA 0.016 4.326 4.320 -0.017 0.000 0.203 185 K C 2.561 179.199 176.600 0.065 0.000 1.048 185 K CA 1.485 57.805 56.287 0.054 0.000 0.954 185 K CB -0.456 32.074 32.500 0.050 0.000 0.737 185 K HN 0.310 nan 8.250 nan 0.000 0.444 186 T N 2.154 116.741 114.554 0.056 0.000 2.649 186 T HA -0.195 4.145 4.350 -0.017 0.000 0.268 186 T C 2.202 176.957 174.700 0.093 0.000 1.036 186 T CA 2.022 64.162 62.100 0.066 0.000 1.157 186 T CB -0.902 68.002 68.868 0.060 0.000 0.861 186 T HN 0.028 nan 8.240 nan 0.000 0.445 187 V N 2.679 122.650 119.914 0.095 0.000 2.282 187 V HA -0.260 3.849 4.120 -0.017 0.000 0.249 187 V C 2.492 178.672 176.094 0.143 0.000 1.057 187 V CA 1.898 64.269 62.300 0.117 0.000 1.032 187 V CB -0.812 31.072 31.823 0.101 0.000 0.645 187 V HN 0.446 nan 8.190 nan 0.000 0.447 188 N N 0.238 119.009 118.700 0.118 0.000 2.106 188 N HA -0.065 4.664 4.740 -0.017 0.000 0.188 188 N C 1.189 176.733 175.510 0.057 0.000 1.029 188 N CA 1.401 54.502 53.050 0.086 0.000 0.848 188 N CB -0.604 37.916 38.487 0.056 0.000 1.007 188 N HN 0.571 nan 8.380 nan 0.000 0.423 192 V N 1.738 121.651 119.914 -0.002 0.000 2.379 192 V HA -0.173 3.936 4.120 -0.017 0.000 0.245 192 V C 2.136 178.320 176.094 0.150 0.000 1.044 192 V CA 1.914 64.196 62.300 -0.031 0.000 1.036 192 V CB -0.337 31.501 31.823 0.025 0.000 0.664 192 V HN 0.250 nan 8.190 nan 0.000 0.453 193 I N 0.122 120.823 120.570 0.219 0.000 2.163 193 I HA -0.284 3.876 4.170 -0.017 0.000 0.243 193 I C 2.779 179.048 176.117 0.255 0.000 1.085 193 I CA 1.670 63.144 61.300 0.289 0.000 1.347 193 I CB -0.933 37.193 38.000 0.210 0.000 1.044 193 I HN 0.441 nan 8.210 nan 0.000 0.408 194 Q N 0.081 120.001 119.800 0.201 0.000 2.077 194 Q HA -0.287 4.042 4.340 -0.017 0.000 0.206 194 Q C 2.212 178.302 176.000 0.149 0.000 0.989 194 Q CA 1.999 57.905 55.803 0.173 0.000 0.853 194 Q CB -0.932 27.918 28.738 0.186 0.000 0.907 194 Q HN 0.523 nan 8.270 nan 0.000 0.418 195 Y N 0.834 121.153 120.300 0.032 0.000 2.069 195 Y HA -0.306 4.234 4.550 -0.017 0.000 0.278 195 Y C 2.058 177.839 175.900 -0.200 0.000 1.175 195 Y CA 1.711 59.753 58.100 -0.097 0.000 1.134 195 Y CB -0.530 37.810 38.460 -0.200 0.000 0.965 195 Y HN -0.025 nan 8.280 nan 0.000 0.498 196 F N -0.485 119.581 119.950 0.193 0.000 2.069 196 F HA -0.217 4.300 4.527 -0.017 0.000 0.298 196 F C 2.634 178.467 175.800 0.056 0.000 1.113 196 F CA 1.440 59.523 58.000 0.138 0.000 1.214 196 F CB -1.435 37.796 39.000 0.385 0.000 0.978 196 F HN 0.127 nan 8.300 nan 0.000 0.474 197 A N 0.108 123.073 122.820 0.242 0.000 1.883 197 A HA -0.237 4.072 4.320 -0.017 0.000 0.217 197 A C 2.269 179.873 177.584 0.035 0.000 1.186 197 A CA 2.761 54.881 52.037 0.138 0.000 0.624 197 A CB -1.479 17.585 19.000 0.108 0.000 0.822 197 A HN 0.450 nan 8.150 nan 0.000 0.444 198 T N 0.715 115.237 114.554 -0.053 0.000 2.588 198 T HA -0.186 4.153 4.350 -0.017 0.000 0.261 198 T C 1.824 176.409 174.700 -0.190 0.000 1.069 198 T CA 1.428 63.452 62.100 -0.127 0.000 1.172 198 T CB -0.969 67.791 68.868 -0.180 0.000 0.863 198 T HN 0.808 nan 8.240 nan 0.000 0.408 199 I N 0.227 120.569 120.570 -0.381 0.000 3.233 199 I HA 0.284 4.443 4.170 -0.017 0.000 0.287 199 I C 0.879 176.832 176.117 -0.272 0.000 1.329 199 I CA 0.902 61.955 61.300 -0.410 0.000 1.385 199 I CB -0.834 36.750 38.000 -0.693 0.000 1.053 199 I HN 0.346 nan 8.210 nan 0.000 0.525 200 A N 0.317 123.072 122.820 -0.109 0.000 3.318 200 A HA 0.754 5.064 4.320 -0.017 0.000 0.209 200 A C 0.151 177.820 177.584 0.142 0.000 1.102 200 A CA 0.059 52.122 52.037 0.044 0.000 1.128 200 A CB -0.622 18.425 19.000 0.078 0.000 1.310 200 A HN 0.498 nan 8.150 nan 0.000 0.726 201 A N 0.202 123.065 122.820 0.072 0.000 3.804 201 A HA 0.938 5.247 4.320 -0.017 0.000 0.174 201 A C 0.864 178.482 177.584 0.058 0.000 1.510 201 A CA 0.452 52.532 52.037 0.072 0.000 1.542 201 A CB -0.224 18.801 19.000 0.041 0.000 1.611 201 A HN 2.184 nan 8.150 nan 0.000 0.626 202 S N -2.367 113.356 115.700 0.038 0.000 3.956 202 S HA 0.043 4.503 4.470 -0.017 0.000 0.685 202 S C 0.451 175.069 174.600 0.031 0.000 0.569 202 S CA 0.941 59.160 58.200 0.032 0.000 1.348 202 S CB -1.692 61.533 63.200 0.041 0.000 0.726 202 S HN 2.286 nan 8.310 nan 0.000 0.895 203 G N 1.145 109.959 108.800 0.022 0.000 3.042 203 G HA2 0.469 4.418 3.960 -0.017 0.000 0.212 203 G HA3 0.469 4.418 3.960 -0.017 0.000 0.212 203 G C 0.720 175.628 174.900 0.013 0.000 1.166 203 G CA 0.664 45.774 45.100 0.017 0.000 0.767 203 G HN 1.041 nan 8.290 nan 0.000 0.546 204 E N -0.552 119.656 120.200 0.014 0.000 4.277 204 E HA -0.373 3.967 4.350 -0.017 0.000 0.189 204 E C 1.766 178.371 176.600 0.008 0.000 1.264 204 E CA 2.001 58.407 56.400 0.011 0.000 2.321 204 E CB -0.956 28.750 29.700 0.011 0.000 1.841 204 E HN 0.444 nan 8.360 nan 0.000 0.373 205 K N 1.029 121.432 120.400 0.006 0.000 2.116 205 K HA 0.007 4.316 4.320 -0.017 0.000 0.203 205 K C 1.866 178.469 176.600 0.005 0.000 1.052 205 K CA 1.155 57.445 56.287 0.004 0.000 0.952 205 K CB -0.089 32.412 32.500 0.002 0.000 0.729 205 K HN 0.129 nan 8.250 nan 0.000 0.446 206 K N 1.058 121.461 120.400 0.005 0.000 2.439 206 K HA -0.038 4.271 4.320 -0.017 0.000 0.197 206 K C 1.530 178.135 176.600 0.008 0.000 1.041 206 K CA 0.700 56.990 56.287 0.006 0.000 0.970 206 K CB 0.138 32.641 32.500 0.005 0.000 0.773 206 K HN 0.094 nan 8.250 nan 0.000 0.479 207 K N 1.228 121.633 120.400 0.008 0.000 2.288 207 K HA -0.041 4.268 4.320 -0.017 0.000 0.201 207 K C 0.220 176.824 176.600 0.008 0.000 1.048 207 K CA 0.614 56.907 56.287 0.009 0.000 0.956 207 K CB 0.086 32.591 32.500 0.008 0.000 0.746 207 K HN 0.274 nan 8.250 nan 0.000 0.461 208 E N 1.521 121.726 120.200 0.007 0.000 2.404 208 E HA -0.023 4.317 4.350 -0.017 0.000 0.261 208 E C -0.541 176.064 176.600 0.008 0.000 1.074 208 E CA 0.042 56.446 56.400 0.007 0.000 0.917 208 E CB 0.498 30.202 29.700 0.006 0.000 0.965 208 E HN 0.123 nan 8.360 nan 0.000 0.433 209 E N 2.130 122.335 120.200 0.008 0.000 2.148 209 E HA -0.011 4.328 4.350 -0.017 0.000 0.308 209 E C -0.704 175.902 176.600 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 0.255 nan 8.360 nan 0.000 0.494 210 Q N 0.660 120.465 119.800 0.009 0.000 3.147 210 Q HA 0.092 4.422 4.340 -0.017 0.000 0.224 210 Q C -0.467 175.539 176.000 0.010 0.000 0.901 210 Q CA -0.421 55.387 55.803 0.009 0.000 0.729 210 Q CB 1.499 30.242 28.738 0.007 0.000 1.363 210 Q HN 0.502 nan 8.270 nan 0.000 0.467 211 S N -1.272 114.435 115.700 0.012 0.000 3.635 211 S HA -0.193 4.267 4.470 -0.017 0.000 0.328 211 S C 0.493 175.102 174.600 0.015 0.000 1.135 211 S CA 0.361 58.569 58.200 0.014 0.000 0.942 211 S CB -2.225 60.983 63.200 0.013 0.000 0.930 211 S HN 0.843 nan 8.310 nan 0.000 0.512 212 G N 0.805 109.614 108.800 0.015 0.000 2.225 212 G HA2 0.365 4.314 3.960 -0.017 0.000 0.245 212 G HA3 0.365 4.314 3.960 -0.017 0.000 0.245 212 G C 0.686 175.599 174.900 0.020 0.000 1.249 212 G CA 0.261 45.370 45.100 0.016 0.000 0.919 212 G HN 0.937 nan 8.290 nan 0.000 0.486 213 K N -0.083 120.329 120.400 0.020 0.000 3.548 213 K HA -0.148 4.162 4.320 -0.017 0.000 0.296 213 K C 0.900 177.515 176.600 0.025 0.000 1.324 213 K CA 0.873 57.175 56.287 0.025 0.000 0.976 213 K CB -1.107 31.411 32.500 0.031 0.000 1.294 213 K HN 0.451 nan 8.250 nan 0.000 0.464 214 M N 1.554 121.166 119.600 0.021 0.000 2.157 214 M HA 0.109 4.579 4.480 -0.017 0.000 0.304 214 M C 0.799 177.109 176.300 0.017 0.000 1.171 214 M CA 0.528 55.841 55.300 0.022 0.000 1.157 214 M CB 0.042 32.654 32.600 0.020 0.000 1.403 214 M HN 0.041 nan 8.290 nan 0.000 0.473 215 Q N 0.036 119.848 119.800 0.019 0.000 2.315 215 Q HA 0.290 4.619 4.340 -0.017 0.000 0.289 215 Q C 0.840 176.842 176.000 0.004 0.000 1.044 215 Q CA 0.995 56.805 55.803 0.012 0.000 0.920 215 Q CB 0.154 28.904 28.738 0.019 0.000 1.214 215 Q HN 1.023 nan 8.270 nan 0.000 0.392 216 G N 1.814 110.610 108.800 -0.007 0.000 2.367 216 G HA2 -0.153 3.796 3.960 -0.017 0.000 0.181 216 G HA3 -0.153 3.796 3.960 -0.017 0.000 0.181 216 G C 0.016 174.909 174.900 -0.012 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 1.887 116.437 114.554 -0.008 0.000 2.909 217 T HA 0.649 4.989 4.350 -0.017 0.000 0.299 217 T C -0.964 173.730 174.700 -0.010 0.000 1.073 217 T CA -0.500 61.595 62.100 -0.008 0.000 0.999 217 T CB 2.446 71.314 68.868 0.001 0.000 1.098 217 T HN 1.010 nan 8.240 nan 0.000 0.477 218 L N 1.563 122.777 121.223 -0.016 0.000 2.296 218 L HA 0.805 5.135 4.340 -0.017 0.000 0.286 218 L C 0.126 176.994 176.870 -0.004 0.000 1.023 218 L CA -0.273 54.556 54.840 -0.018 0.000 0.812 218 L CB 0.652 42.688 42.059 -0.040 0.000 1.223 218 L HN 0.995 nan 8.230 nan 0.000 0.421 219 E N 1.355 121.559 120.200 0.006 0.000 3.026 219 E HA -0.135 4.204 4.350 -0.017 0.000 0.271 219 E C 0.304 176.922 176.600 0.031 0.000 0.499 219 E CA 0.786 57.200 56.400 0.024 0.000 1.976 219 E CB -0.566 29.150 29.700 0.026 0.000 2.815 219 E HN 0.792 nan 8.360 nan 0.000 0.619 220 D N 0.509 120.922 120.400 0.020 0.000 2.414 220 D HA -0.015 4.615 4.640 -0.017 0.000 0.237 220 D C 1.772 178.085 176.300 0.020 0.000 0.975 220 D CA 0.988 55.003 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 0.238 nan 8.370 nan 0.000 0.480 221 Q N 0.985 120.787 119.800 0.003 0.000 2.077 221 Q HA -0.159 4.170 4.340 -0.017 0.000 0.206 221 Q C 2.324 178.322 176.000 -0.003 0.000 0.989 221 Q CA 0.969 56.767 55.803 -0.009 0.000 0.853 221 Q CB -0.256 28.459 28.738 -0.038 0.000 0.907 221 Q HN 0.266 nan 8.270 nan 0.000 0.418 222 I N 1.281 121.849 120.570 -0.004 0.000 2.113 222 I HA -0.300 3.860 4.170 -0.017 0.000 0.242 222 I C 2.497 178.634 176.117 0.034 0.000 1.064 222 I CA 1.535 62.839 61.300 0.005 0.000 1.320 222 I CB -0.851 37.157 38.000 0.013 0.000 1.028 222 I HN 0.247 nan 8.210 nan 0.000 0.406 223 I N -0.001 120.597 120.570 0.046 0.000 2.162 223 I HA -0.220 3.940 4.170 -0.017 0.000 0.238 223 I C 2.551 178.708 176.117 0.065 0.000 1.076 223 I CA 1.076 62.415 61.300 0.066 0.000 1.353 223 I CB -0.704 37.338 38.000 0.070 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 0.053 0.000 2.441 224 S HA -0.237 4.223 4.470 -0.017 0.000 0.242 224 S C 2.146 176.782 174.600 0.060 0.000 1.018 224 S CA 1.273 59.506 58.200 0.055 0.000 0.988 224 S CB -0.418 62.808 63.200 0.044 0.000 0.778 224 S HN 0.549 nan 8.310 nan 0.000 0.498 225 A N 3.222 126.072 122.820 0.050 0.000 1.859 225 A HA -0.260 4.050 4.320 -0.017 0.000 0.217 225 A C 1.954 179.588 177.584 0.082 0.000 1.198 225 A CA 1.903 53.967 52.037 0.046 0.000 0.629 225 A CB -0.921 18.094 19.000 0.026 0.000 0.830 225 A HN 0.608 nan 8.150 nan 0.000 0.446 226 N N 0.551 119.315 118.700 0.108 0.000 2.027 226 N HA -0.174 4.556 4.740 -0.017 0.000 0.200 226 N C -0.925 174.689 175.510 0.173 0.000 1.042 226 N CA 2.045 55.188 53.050 0.154 0.000 0.871 226 N CB -2.277 36.300 38.487 0.150 0.000 1.063 226 N HN 0.348 nan 8.380 nan 0.000 0.438 227 P HA -0.088 nan 4.420 nan 0.000 0.227 227 P C 1.551 178.935 177.300 0.141 0.000 1.145 227 P CA 0.670 63.852 63.100 0.136 0.000 0.769 227 P CB -0.001 31.759 31.700 0.100 0.000 0.769 228 L N -1.320 119.991 121.223 0.146 0.000 2.185 228 L HA 0.067 4.397 4.340 -0.017 0.000 0.198 228 L C 2.099 179.150 176.870 0.301 0.000 1.079 228 L CA 1.293 56.237 54.840 0.174 0.000 0.780 228 L CB -1.444 40.666 42.059 0.085 0.000 0.955 228 L HN -0.245 nan 8.230 nan 0.000 0.462 229 L N 0.486 121.845 121.223 0.226 0.000 2.051 229 L HA -0.256 4.073 4.340 -0.017 0.000 0.214 229 L C 2.593 179.760 176.870 0.495 0.000 1.076 229 L CA 1.769 56.789 54.840 0.300 0.000 0.758 229 L CB -1.247 40.975 42.059 0.272 0.000 0.890 229 L HN 0.437 nan 8.230 nan 0.000 0.433 230 E N -1.108 119.340 120.200 0.413 0.000 2.153 230 E HA -0.178 4.162 4.350 -0.017 0.000 0.194 230 E C 2.168 178.979 176.600 0.353 0.000 0.988 230 E CA 1.096 57.737 56.400 0.402 0.000 0.811 230 E CB -0.116 29.774 29.700 0.316 0.000 0.746 230 E HN 0.524 nan 8.360 nan 0.000 0.466 231 A N 0.275 123.232 122.820 0.230 0.000 2.015 231 A HA -0.104 4.206 4.320 -0.017 0.000 0.219 231 A C 1.657 179.126 177.584 -0.191 0.000 1.163 231 A CA 1.028 53.068 52.037 0.006 0.000 0.646 231 A CB -0.335 18.497 19.000 -0.280 0.000 0.806 231 A HN 0.147 nan 8.150 nan 0.000 0.448 232 F N -1.234 118.802 119.950 0.144 0.000 2.559 232 F HA 0.252 4.769 4.527 -0.017 0.000 0.286 232 F C 2.259 178.009 175.800 -0.083 0.000 1.108 232 F CA 0.730 58.763 58.000 0.055 0.000 1.436 232 F CB -0.049 38.972 39.000 0.035 0.000 1.130 232 F HN 0.242 nan 8.300 nan 0.000 0.584 233 G N -0.755 108.265 108.800 0.367 0.000 3.393 233 G HA2 0.160 4.109 3.960 -0.017 0.000 0.255 233 G HA3 0.160 4.109 3.960 -0.017 0.000 0.255 233 G C -0.298 175.065 174.900 0.772 0.000 1.097 233 G CA -0.038 45.294 45.100 0.386 0.000 0.780 233 G HN 0.071 nan 8.290 nan 0.000 0.540 234 N N -0.221 118.793 118.700 0.524 0.000 2.265 234 N HA 0.825 5.554 4.740 -0.017 0.000 0.300 234 N C -0.324 174.978 175.510 -0.346 0.000 1.148 234 N CA -0.007 53.139 53.050 0.160 0.000 0.772 234 N CB 2.325 40.926 38.487 0.189 0.000 1.434 234 N HN 0.223 nan 8.380 nan 0.000 0.481 238 V N 1.093 120.984 119.914 -0.038 0.000 2.913 238 V HA -0.040 4.070 4.120 -0.017 0.000 0.260 238 V C 1.994 178.077 176.094 -0.019 0.000 1.098 238 V CA 1.754 64.033 62.300 -0.035 0.000 1.121 238 V CB -0.497 31.301 31.823 -0.041 0.000 0.714 238 V HN 0.667 nan 8.190 nan 0.000 0.487 239 R N -0.518 119.981 120.500 -0.001 0.000 2.087 239 R HA 0.162 4.492 4.340 -0.017 0.000 0.213 239 R C 0.904 177.223 176.300 0.032 0.000 1.137 239 R CA 0.370 56.481 56.100 0.019 0.000 1.022 239 R CB -0.075 30.249 30.300 0.041 0.000 0.920 239 R HN 0.429 nan 8.270 nan 0.000 0.451 240 N N 0.068 118.791 118.700 0.039 0.000 2.483 240 N HA 0.050 4.779 4.740 -0.017 0.000 0.285 240 N C -0.394 175.141 175.510 0.042 0.000 1.210 240 N CA -0.111 52.973 53.050 0.056 0.000 0.931 240 N CB 1.596 40.125 38.487 0.070 0.000 1.220 240 N HN -0.153 nan 8.380 nan 0.000 0.542 241 D N -0.596 119.838 120.400 0.056 0.000 2.423 241 D HA 0.118 4.748 4.640 -0.017 0.000 0.208 241 D C -0.393 175.977 176.300 0.116 0.000 1.068 241 D CA 0.527 54.559 54.000 0.054 0.000 0.860 241 D CB 0.190 41.006 40.800 0.026 0.000 0.992 241 D HN 0.406 nan 8.370 nan 0.000 0.504 242 N N -0.056 118.723 118.700 0.132 0.000 2.703 242 N HA 0.102 4.831 4.740 -0.017 0.000 0.283 242 N C -1.399 174.196 175.510 0.143 0.000 1.851 242 N CA -0.059 53.117 53.050 0.210 0.000 0.826 242 N CB 0.654 39.256 38.487 0.191 0.000 1.239 242 N HN -0.292 nan 8.380 nan 0.000 0.495 243 S N -0.214 115.540 115.700 0.090 0.000 2.565 243 S HA 0.266 4.725 4.470 -0.017 0.000 0.276 243 S C 0.112 174.733 174.600 0.034 0.000 1.326 243 S CA -0.193 58.037 58.200 0.049 0.000 1.045 243 S CB 0.487 63.702 63.200 0.025 0.000 0.918 243 S HN 0.331 nan 8.310 nan 0.000 0.505 244 S N 3.281 118.975 115.700 -0.010 0.000 2.430 244 S HA 0.204 4.664 4.470 -0.017 0.000 0.282 244 S C 0.941 175.499 174.600 -0.069 0.000 1.186 244 S CA -0.485 57.642 58.200 -0.120 0.000 1.060 244 S CB 0.011 63.067 63.200 -0.241 0.000 0.966 244 S HN 0.577 nan 8.310 nan 0.000 0.501 245 R N 3.379 123.935 120.500 0.093 0.000 2.480 245 R HA 0.198 4.528 4.340 -0.017 0.000 0.277 245 R C -0.424 176.065 176.300 0.316 0.000 1.008 245 R CA 0.105 56.324 56.100 0.198 0.000 1.090 245 R CB -0.565 29.857 30.300 0.203 0.000 1.234 245 R HN 0.649 nan 8.270 nan 0.000 0.549 246 F N -3.761 116.264 119.950 0.125 0.000 2.741 246 F HA 0.709 5.225 4.527 -0.017 0.000 0.313 246 F C -0.248 175.665 175.800 0.188 0.000 1.153 246 F CA -1.531 56.549 58.000 0.133 0.000 0.931 246 F CB 0.529 39.589 39.000 0.098 0.000 1.335 246 F HN -0.136 nan 8.300 nan 0.000 0.460 250 I N 5.514 125.924 120.570 -0.266 0.000 2.359 250 I HA 0.540 4.700 4.170 -0.017 0.000 0.294 250 I C -0.244 175.559 176.117 -0.524 0.000 0.987 250 I CA -0.729 60.389 61.300 -0.303 0.000 1.225 250 I CB 1.786 39.722 38.000 -0.106 0.000 1.366 250 I HN 0.447 nan 8.210 nan 0.000 0.466 251 R N 5.992 126.229 120.500 -0.438 0.000 2.275 251 R HA 0.531 4.860 4.340 -0.017 0.000 0.326 251 R C -1.032 175.077 176.300 -0.319 0.000 0.973 251 R CA -0.483 55.324 56.100 -0.489 0.000 0.854 251 R CB 1.005 30.874 30.300 -0.718 0.000 1.156 251 R HN 0.537 nan 8.270 nan 0.000 0.487 252 I N 3.468 123.878 120.570 -0.268 0.000 2.322 252 I HA 0.110 4.270 4.170 -0.017 0.000 0.292 252 I C -0.047 175.799 176.117 -0.451 0.000 1.060 252 I CA -0.375 60.703 61.300 -0.370 0.000 1.309 252 I CB 0.533 38.245 38.000 -0.480 0.000 1.415 252 I HN 0.430 nan 8.210 nan 0.000 0.492 253 H N 6.470 125.347 119.070 -0.322 0.000 2.846 253 H HA 0.319 4.865 4.556 -0.018 0.000 0.278 253 H C -0.552 174.620 175.328 -0.261 0.000 1.117 253 H CA -0.084 55.879 56.048 -0.142 0.000 1.406 253 H CB 0.172 29.879 29.762 -0.092 0.000 1.445 253 H HN 0.323 nan 8.280 nan 0.000 0.469 254 F N 1.012 121.066 119.950 0.173 0.000 2.380 254 F HA 0.322 4.839 4.527 -0.017 0.000 0.325 254 F C 1.600 177.451 175.800 0.086 0.000 1.136 254 F CA 0.030 58.123 58.000 0.155 0.000 1.171 254 F CB 0.805 39.933 39.000 0.214 0.000 1.230 254 F HN 0.551 nan 8.300 nan 0.000 0.554 255 G N 0.240 109.197 108.800 0.261 0.000 2.494 255 G HA2 0.414 4.364 3.960 -0.017 0.000 0.270 255 G HA3 0.414 4.364 3.960 -0.017 0.000 0.270 255 G C 0.698 175.605 174.900 0.012 0.000 1.423 255 G CA -0.053 45.103 45.100 0.094 0.000 1.055 255 G HN 0.804 nan 8.290 nan 0.000 0.536 256 A N -1.441 121.366 122.820 -0.021 0.000 1.903 256 A HA 0.080 4.390 4.320 -0.017 0.000 0.213 256 A C 2.553 180.173 177.584 0.061 0.000 1.185 256 A CA 2.354 54.367 52.037 -0.040 0.000 0.628 256 A CB -1.138 17.842 19.000 -0.033 0.000 0.830 256 A HN 0.835 nan 8.150 nan 0.000 0.446 257 T N -3.155 111.440 114.554 0.069 0.000 2.622 257 T HA 0.233 4.573 4.350 -0.017 0.000 0.266 257 T C 1.524 176.291 174.700 0.111 0.000 1.047 257 T CA 2.047 64.196 62.100 0.082 0.000 1.159 257 T CB -0.592 68.325 68.868 0.082 0.000 0.863 257 T HN 1.525 nan 8.240 nan 0.000 0.422 258 G N 0.237 109.133 108.800 0.161 0.000 2.870 258 G HA2 0.018 3.968 3.960 -0.017 0.000 0.216 258 G HA3 0.018 3.968 3.960 -0.017 0.000 0.216 258 G C -0.175 174.942 174.900 0.362 0.000 0.973 258 G CA -0.586 44.632 45.100 0.198 0.000 0.807 258 G HN 0.501 nan 8.290 nan 0.000 0.573 259 K N 0.981 121.559 120.400 0.296 0.000 2.110 259 K HA 0.534 4.844 4.320 -0.017 0.000 0.263 259 K C 0.871 177.665 176.600 0.324 0.000 0.975 259 K CA -0.795 55.673 56.287 0.302 0.000 0.895 259 K CB 1.930 34.535 32.500 0.175 0.000 1.060 259 K HN 0.202 nan 8.250 nan 0.000 0.448 260 L N 1.492 122.904 121.223 0.316 0.000 2.640 260 L HA -0.247 4.083 4.340 -0.017 0.000 0.300 260 L C 1.058 177.947 176.870 0.030 0.000 1.259 260 L CA 0.554 55.458 54.840 0.106 0.000 0.879 260 L CB 0.283 42.376 42.059 0.057 0.000 1.125 260 L HN 0.916 nan 8.230 nan 0.000 0.507 261 A N 1.737 124.524 122.820 -0.054 0.000 1.895 261 A HA 0.385 4.694 4.320 -0.017 0.000 0.198 261 A C 0.350 177.891 177.584 -0.072 0.000 1.709 261 A CA 0.287 52.302 52.037 -0.036 0.000 1.194 261 A CB 0.576 19.574 19.000 -0.004 0.000 1.260 261 A HN 0.624 nan 8.150 nan 0.000 0.441 262 S N -1.939 113.711 115.700 -0.083 0.000 2.611 262 S HA 0.760 5.219 4.470 -0.017 0.000 0.268 262 S C -0.616 173.959 174.600 -0.041 0.000 1.156 262 S CA -0.093 58.053 58.200 -0.090 0.000 0.817 262 S CB 1.545 64.636 63.200 -0.182 0.000 1.122 262 S HN 1.479 nan 8.310 nan 0.000 0.466 263 A N 0.479 123.271 122.820 -0.047 0.000 2.532 263 A HA 0.889 5.198 4.320 -0.017 0.000 0.290 263 A C -1.921 175.633 177.584 -0.049 0.000 1.143 263 A CA -0.478 51.535 52.037 -0.040 0.000 0.728 263 A CB 1.690 20.641 19.000 -0.082 0.000 1.317 263 A HN 0.725 nan 8.150 nan 0.000 0.414 264 D N 1.113 121.466 120.400 -0.079 0.000 2.354 264 D HA 0.352 4.981 4.640 -0.017 0.000 0.230 264 D C -1.247 174.983 176.300 -0.116 0.000 1.361 264 D CA -0.020 53.919 54.000 -0.101 0.000 0.992 264 D CB 0.847 41.590 40.800 -0.095 0.000 1.409 264 D HN 0.482 nan 8.370 nan 0.000 0.573 265 I N 1.451 121.963 120.570 -0.098 0.000 2.566 265 I HA 0.413 4.573 4.170 -0.017 0.000 0.303 265 I C 0.274 176.353 176.117 -0.065 0.000 0.983 265 I CA -0.536 60.724 61.300 -0.067 0.000 1.235 265 I CB 1.812 39.774 38.000 -0.064 0.000 1.386 265 I HN 0.211 nan 8.210 nan 0.000 0.494 266 E N 2.195 122.379 120.200 -0.026 0.000 2.304 266 E HA 0.405 4.745 4.350 -0.017 0.000 0.277 266 E C -1.573 174.879 176.600 -0.246 0.000 0.898 266 E CA -0.494 55.824 56.400 -0.136 0.000 0.764 266 E CB 2.146 31.778 29.700 -0.114 0.000 1.216 266 E HN 0.545 nan 8.360 nan 0.000 0.419 267 T N 2.720 117.089 114.554 -0.309 0.000 2.855 267 T HA 0.535 4.875 4.350 -0.017 0.000 0.281 267 T C -1.407 173.102 174.700 -0.320 0.000 1.007 267 T CA -0.344 61.673 62.100 -0.138 0.000 1.009 267 T CB 0.418 69.323 68.868 0.062 0.000 0.983 267 T HN 0.253 nan 8.240 nan 0.000 0.455 268 Y N 0.871 121.351 120.300 0.300 0.000 2.442 268 Y HA 0.524 5.063 4.550 -0.018 0.000 0.344 268 Y C 0.009 176.037 175.900 0.215 0.000 0.976 268 Y CA -1.720 56.526 58.100 0.243 0.000 1.040 268 Y CB 1.062 39.671 38.460 0.248 0.000 1.228 268 Y HN 0.513 nan 8.280 nan 0.000 0.451 269 L N 3.042 124.428 121.223 0.272 0.000 3.642 269 L HA -0.250 4.079 4.340 -0.017 0.000 0.613 269 L C -0.806 176.148 176.870 0.140 0.000 1.064 269 L CA 0.228 55.142 54.840 0.123 0.000 1.039 269 L CB -0.779 41.312 42.059 0.054 0.000 1.226 269 L HN 0.495 nan 8.230 nan 0.000 0.764 270 L N 2.288 123.561 121.223 0.082 0.000 2.350 270 L HA 0.382 4.711 4.340 -0.017 0.000 0.275 270 L C 0.878 177.785 176.870 0.062 0.000 1.099 270 L CA 0.377 55.245 54.840 0.045 0.000 0.808 270 L CB 1.240 43.188 42.059 -0.186 0.000 1.149 270 L HN 0.360 nan 8.230 nan 0.000 0.442 274 R N 1.708 122.240 120.500 0.053 0.000 2.091 274 R HA -0.022 4.308 4.340 -0.017 0.000 0.238 274 R C 1.864 178.145 176.300 -0.030 0.000 1.136 274 R CA 1.786 57.865 56.100 -0.034 0.000 0.959 274 R CB -0.832 29.273 30.300 -0.325 0.000 0.856 274 R HN 0.330 nan 8.270 nan 0.000 0.437 275 V N 0.317 120.239 119.914 0.013 0.000 2.527 275 V HA -0.260 3.850 4.120 -0.017 0.000 0.255 275 V C 1.751 177.667 176.094 -0.298 0.000 1.081 275 V CA 2.178 64.393 62.300 -0.142 0.000 1.092 275 V CB -0.464 31.201 31.823 -0.262 0.000 0.673 275 V HN 0.425 nan 8.190 nan 0.000 0.470 276 T N -2.550 111.828 114.554 -0.294 0.000 2.958 276 T HA 0.324 4.664 4.350 -0.017 0.000 0.256 276 T C -0.186 174.406 174.700 -0.181 0.000 0.983 276 T CA 0.001 61.793 62.100 -0.514 0.000 0.924 276 T CB 0.357 68.963 68.868 -0.438 0.000 1.136 276 T HN 0.297 nan 8.240 nan 0.000 0.506 277 F N 2.051 121.849 119.950 -0.253 0.000 2.692 277 F HA 0.631 5.148 4.527 -0.016 0.000 0.320 277 F C -1.859 173.849 175.800 -0.153 0.000 1.123 277 F CA -0.891 56.998 58.000 -0.184 0.000 0.961 277 F CB 1.603 40.520 39.000 -0.138 0.000 1.383 277 F HN -0.074 nan 8.300 nan 0.000 0.483 278 Q N 3.506 122.728 119.800 -0.964 0.000 2.518 278 Q HA 0.324 4.653 4.340 -0.017 0.000 0.254 278 Q C -2.166 173.229 176.000 -1.009 0.000 0.962 278 Q CA -0.784 54.569 55.803 -0.751 0.000 0.982 278 Q CB 1.667 30.187 28.738 -0.362 0.000 1.516 278 Q HN 0.786 nan 8.270 nan 0.000 0.426 279 L N 2.580 123.440 121.223 -0.605 0.000 2.472 279 L HA 0.196 4.526 4.340 -0.017 0.000 0.260 279 L C -1.199 175.503 176.870 -0.279 0.000 1.209 279 L CA -1.551 53.053 54.840 -0.394 0.000 0.817 279 L CB 0.240 42.193 42.059 -0.175 0.000 1.106 279 L HN 0.529 nan 8.230 nan 0.000 0.479 280 P HA -0.151 nan 4.420 nan 0.000 0.218 280 P C 0.513 177.751 177.300 -0.103 0.000 1.148 280 P CA 1.248 64.272 63.100 -0.126 0.000 0.822 280 P CB 0.185 31.836 31.700 -0.082 0.000 0.784 281 A N -1.383 121.377 122.820 -0.100 0.000 2.348 281 A HA 0.108 4.418 4.320 -0.017 0.000 0.224 281 A C 0.872 178.398 177.584 -0.098 0.000 1.227 281 A CA -0.004 51.982 52.037 -0.084 0.000 0.885 281 A CB -0.177 18.783 19.000 -0.066 0.000 0.933 281 A HN 0.159 nan 8.150 nan 0.000 0.506 282 E N -0.166 119.958 120.200 -0.125 0.000 2.469 282 E HA 0.671 5.011 4.350 -0.017 0.000 0.246 282 E C -0.316 176.193 176.600 -0.151 0.000 0.969 282 E CA -1.008 55.313 56.400 -0.132 0.000 0.881 282 E CB 0.984 30.600 29.700 -0.140 0.000 1.320 282 E HN 0.437 nan 8.360 nan 0.000 0.421 283 R N -0.858 119.557 120.500 -0.142 0.000 2.733 283 R HA 0.454 4.784 4.340 -0.017 0.000 0.272 283 R C -0.831 175.432 176.300 -0.062 0.000 1.029 283 R CA -0.673 55.362 56.100 -0.109 0.000 0.888 283 R CB 1.610 31.787 30.300 -0.205 0.000 1.251 283 R HN 0.438 nan 8.270 nan 0.000 0.464 284 S N -0.278 115.493 115.700 0.119 0.000 2.640 284 S HA 0.296 4.756 4.470 -0.017 0.000 0.262 284 S C -0.407 174.255 174.600 0.104 0.000 1.232 284 S CA -0.549 57.669 58.200 0.030 0.000 0.988 284 S CB 0.051 63.296 63.200 0.075 0.000 1.034 284 S HN 0.340 nan 8.310 nan 0.000 0.569 285 Y N 1.421 121.836 120.300 0.192 0.000 2.812 285 Y HA -0.024 4.515 4.550 -0.017 0.000 0.348 285 Y C 2.009 177.995 175.900 0.144 0.000 1.274 285 Y CA 0.712 58.844 58.100 0.054 0.000 1.489 285 Y CB 0.186 38.682 38.460 0.061 0.000 1.348 285 Y HN 0.660 nan 8.280 nan 0.000 0.646 286 H N 1.368 120.610 119.070 0.287 0.000 2.326 286 H HA -0.150 4.396 4.556 -0.017 0.000 0.301 286 H C 2.355 177.731 175.328 0.079 0.000 1.081 286 H CA 1.668 57.852 56.048 0.226 0.000 1.334 286 H CB -0.454 29.377 29.762 0.116 0.000 1.385 286 H HN 0.809 nan 8.280 nan 0.000 0.504 287 I N 0.783 121.306 120.570 -0.079 0.000 2.161 287 I HA -0.404 3.755 4.170 -0.017 0.000 0.246 287 I C 1.917 177.872 176.117 -0.270 0.000 1.048 287 I CA 1.593 62.667 61.300 -0.377 0.000 1.314 287 I CB -0.290 37.162 38.000 -0.913 0.000 1.014 287 I HN -0.045 nan 8.210 nan 0.000 0.418 288 F N -0.211 119.647 119.950 -0.153 0.000 2.069 288 F HA -0.235 4.281 4.527 -0.018 0.000 0.298 288 F C 2.217 177.805 175.800 -0.353 0.000 1.113 288 F CA 1.899 59.696 58.000 -0.339 0.000 1.214 288 F CB -1.320 37.316 39.000 -0.608 0.000 0.978 288 F HN 0.110 nan 8.300 nan 0.000 0.474 289 Y N -0.584 119.832 120.300 0.193 0.000 2.373 289 Y HA -0.124 4.415 4.550 -0.017 0.000 0.293 289 Y C 2.454 178.382 175.900 0.048 0.000 1.129 289 Y CA 0.770 58.926 58.100 0.094 0.000 1.226 289 Y CB -1.072 37.438 38.460 0.083 0.000 1.000 289 Y HN 0.115 nan 8.280 nan 0.000 0.549 290 Q N 0.505 120.399 119.800 0.156 0.000 1.967 290 Q HA -0.174 4.156 4.340 -0.017 0.000 0.202 290 Q C 2.261 178.289 176.000 0.047 0.000 0.985 290 Q CA 2.017 57.867 55.803 0.078 0.000 0.839 290 Q CB -0.339 28.417 28.738 0.030 0.000 0.906 290 Q HN 0.442 nan 8.270 nan 0.000 0.423 291 I N 0.167 120.750 120.570 0.022 0.000 2.145 291 I HA -0.345 3.814 4.170 -0.017 0.000 0.244 291 I C 2.060 178.169 176.117 -0.014 0.000 1.075 291 I CA 1.432 62.730 61.300 -0.003 0.000 1.332 291 I CB -0.225 37.775 38.000 -0.001 0.000 1.033 291 I HN 0.431 nan 8.210 nan 0.000 0.410 292 M N 0.033 119.633 119.600 0.000 0.000 2.659 292 M HA -0.064 4.406 4.480 -0.017 0.000 0.243 292 M C 2.213 178.536 176.300 0.038 0.000 1.111 292 M CA 0.735 56.039 55.300 0.006 0.000 1.070 292 M CB -0.230 32.370 32.600 -0.001 0.000 1.525 292 M HN 0.288 nan 8.290 nan 0.000 0.517 293 S N 0.296 116.022 115.700 0.043 0.000 2.402 293 S HA -0.075 4.384 4.470 -0.017 0.000 0.229 293 S C 0.643 175.259 174.600 0.025 0.000 1.021 293 S CA 0.901 59.127 58.200 0.043 0.000 0.974 293 S CB -0.365 62.859 63.200 0.040 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 -0.150 4.190 4.350 -0.017 0.000 0.196 298 E C 1.774 178.347 176.600 -0.046 0.000 1.000 298 E CA 1.292 57.673 56.400 -0.032 0.000 0.804 298 E CB -0.635 29.043 29.700 -0.036 0.000 0.740 298 E HN 0.138 nan 8.360 nan 0.000 0.454 299 L N 0.363 121.524 121.223 -0.102 0.000 2.021 299 L HA -0.214 4.116 4.340 -0.017 0.000 0.215 299 L C 2.234 179.063 176.870 -0.069 0.000 1.074 299 L CA 1.527 56.274 54.840 -0.156 0.000 0.760 299 L CB -0.610 41.276 42.059 -0.287 0.000 0.889 299 L HN 0.163 nan 8.230 nan 0.000 0.433 300 I N -0.618 119.927 120.570 -0.042 0.000 2.208 300 I HA -0.306 3.854 4.170 -0.017 0.000 0.245 300 I C 2.068 178.209 176.117 0.041 0.000 1.097 300 I CA 1.573 62.874 61.300 0.001 0.000 1.363 300 I CB -0.387 37.617 38.000 0.007 0.000 1.051 300 I HN 0.341 nan 8.210 nan 0.000 0.413 301 D N -0.551 119.870 120.400 0.035 0.000 2.213 301 D HA -0.109 4.520 4.640 -0.017 0.000 0.205 301 D C 2.118 178.463 176.300 0.075 0.000 0.961 301 D CA 0.906 54.938 54.000 0.054 0.000 0.853 301 D CB -0.058 40.763 40.800 0.036 0.000 0.967 301 D HN 0.365 nan 8.370 nan 0.000 0.496 302 M N 0.349 119.984 119.600 0.059 0.000 2.132 302 M HA -0.147 4.323 4.480 -0.017 0.000 0.263 302 M C 1.329 177.709 176.300 0.135 0.000 1.065 302 M CA 1.306 56.656 55.300 0.084 0.000 1.122 302 M CB 0.179 32.798 32.600 0.031 0.000 1.365 302 M HN -0.113 nan 8.290 nan 0.000 0.411 303 L N 0.262 121.555 121.223 0.116 0.000 2.446 303 L HA 0.241 4.570 4.340 -0.017 0.000 0.219 303 L C 0.687 177.720 176.870 0.272 0.000 1.116 303 L CA 0.815 55.758 54.840 0.171 0.000 0.844 303 L CB -0.386 41.739 42.059 0.109 0.000 0.970 303 L HN 0.468 nan 8.230 nan 0.000 0.457 304 L N -0.516 120.838 121.223 0.217 0.000 3.487 304 L HA -0.206 4.124 4.340 -0.017 0.000 0.450 304 L C -0.266 176.808 176.870 0.341 0.000 1.290 304 L CA 0.096 55.084 54.840 0.246 0.000 0.874 304 L CB -2.037 40.154 42.059 0.221 0.000 1.804 304 L HN 0.189 nan 8.230 nan 0.000 0.831 305 I N -4.528 116.178 120.570 0.228 0.000 3.445 305 I HA 0.879 5.039 4.170 -0.017 0.000 0.303 305 I C 0.822 177.063 176.117 0.207 0.000 1.129 305 I CA -0.448 61.002 61.300 0.251 0.000 0.989 305 I CB 1.783 39.771 38.000 -0.020 0.000 1.314 305 I HN 0.042 nan 8.210 nan 0.000 0.488 306 T N -2.346 112.379 114.554 0.284 0.000 2.876 306 T HA 0.389 4.729 4.350 -0.017 0.000 0.277 306 T C 0.730 175.515 174.700 0.142 0.000 0.997 306 T CA 0.190 62.412 62.100 0.203 0.000 0.966 306 T CB 1.207 70.210 68.868 0.224 0.000 1.312 306 T HN 0.831 nan 8.240 nan 0.000 0.598 307 T N -2.666 111.962 114.554 0.124 0.000 3.001 307 T HA 0.207 4.547 4.350 -0.017 0.000 0.251 307 T C 0.568 175.340 174.700 0.120 0.000 1.040 307 T CA -0.296 61.858 62.100 0.091 0.000 0.985 307 T CB -0.309 68.602 68.868 0.070 0.000 1.011 307 T HN 0.533 nan 8.240 nan 0.000 0.509 308 N N 2.721 121.521 118.700 0.168 0.000 2.439 308 N HA 0.323 5.053 4.740 -0.017 0.000 0.249 308 N C -2.221 173.438 175.510 0.247 0.000 1.003 308 N CA -2.614 50.556 53.050 0.199 0.000 0.942 308 N CB 1.839 40.444 38.487 0.197 0.000 1.115 308 N HN -0.072 nan 8.380 nan 0.000 0.505 309 P HA -0.030 nan 4.420 nan 0.000 0.226 309 P C 0.275 177.620 177.300 0.075 0.000 1.153 309 P CA 0.931 64.097 63.100 0.111 0.000 0.777 309 P CB -0.041 31.624 31.700 -0.058 0.000 0.794 310 Y N -0.423 119.962 120.300 0.143 0.000 2.584 310 Y HA -0.044 4.495 4.550 -0.017 0.000 0.317 310 Y C 1.448 177.352 175.900 0.007 0.000 1.208 310 Y CA 0.694 58.841 58.100 0.079 0.000 1.299 310 Y CB -0.829 37.661 38.460 0.049 0.000 1.047 310 Y HN -0.040 nan 8.280 nan 0.000 0.506 311 D N -1.655 118.787 120.400 0.070 0.000 2.369 311 D HA 0.028 4.658 4.640 -0.017 0.000 0.211 311 D C -0.755 175.028 176.300 -0.862 0.000 1.077 311 D CA 0.495 54.267 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 -0.150 120.148 120.300 -0.002 0.000 2.705 312 Y HA 0.185 4.725 4.550 -0.018 0.000 0.355 312 Y C 1.104 177.000 175.900 -0.006 0.000 1.039 312 Y CA -1.016 57.052 58.100 -0.053 0.000 1.233 312 Y CB 0.192 38.564 38.460 -0.146 0.000 1.103 312 Y HN -0.151 nan 8.280 nan 0.000 0.624 313 H N 1.161 120.233 119.070 0.004 0.000 2.330 313 H HA -0.306 4.239 4.556 -0.018 0.000 0.290 313 H C 1.338 176.751 175.328 0.142 0.000 1.111 313 H CA 2.550 58.628 56.048 0.049 0.000 1.226 313 H CB -0.020 29.742 29.762 -0.000 0.000 1.355 313 H HN 0.608 nan 8.280 nan 0.000 0.485 314 Y N -0.342 119.846 120.300 -0.188 0.000 2.193 314 Y HA -0.143 4.396 4.550 -0.018 0.000 0.285 314 Y C 2.733 178.446 175.900 -0.311 0.000 1.166 314 Y CA 1.591 59.526 58.100 -0.275 0.000 1.181 314 Y CB -0.811 37.546 38.460 -0.172 0.000 0.976 314 Y HN 0.377 nan 8.280 nan 0.000 0.520 315 V N -2.151 117.686 119.914 -0.129 0.000 3.319 315 V HA 0.311 4.421 4.120 -0.017 0.000 0.317 315 V C 0.573 176.635 176.094 -0.052 0.000 1.411 315 V CA 0.673 62.843 62.300 -0.217 0.000 1.112 315 V CB -0.201 31.284 31.823 -0.563 0.000 1.031 315 V HN 0.321 nan 8.190 nan 0.000 0.448 316 S N -2.048 113.612 115.700 -0.066 0.000 2.901 316 S HA 0.394 4.854 4.470 -0.017 0.000 0.248 316 S C 0.560 175.125 174.600 -0.058 0.000 1.021 316 S CA -0.139 58.000 58.200 -0.102 0.000 1.090 316 S CB 0.150 63.194 63.200 -0.260 0.000 1.039 316 S HN 0.545 nan 8.310 nan 0.000 0.514 317 E N 0.840 120.979 120.200 -0.102 0.000 2.299 317 E HA 0.148 4.488 4.350 -0.017 0.000 0.193 317 E C 1.465 177.989 176.600 -0.126 0.000 0.998 317 E CA 0.702 57.034 56.400 -0.114 0.000 0.851 317 E CB 0.150 29.703 29.700 -0.245 0.000 0.795 317 E HN 0.723 nan 8.360 nan 0.000 0.492 318 G N 0.515 109.228 108.800 -0.146 0.000 3.198 318 G HA2 0.154 4.103 3.960 -0.017 0.000 0.203 318 G HA3 0.154 4.103 3.960 -0.017 0.000 0.203 318 G C 0.073 174.914 174.900 -0.098 0.000 1.950 318 G CA -0.353 44.660 45.100 -0.144 0.000 0.798 318 G HN -0.071 nan 8.290 nan 0.000 0.720 319 E N -0.785 119.335 120.200 -0.133 0.000 2.249 319 E HA 0.531 4.870 4.350 -0.017 0.000 0.263 319 E C 0.454 176.895 176.600 -0.266 0.000 0.950 319 E CA -0.587 55.723 56.400 -0.149 0.000 0.827 319 E CB 2.660 32.275 29.700 -0.142 0.000 1.220 319 E HN 0.262 nan 8.360 nan 0.000 0.411 320 I N -0.389 120.012 120.570 -0.282 0.000 3.971 320 I HA 0.023 4.182 4.170 -0.017 0.000 0.303 320 I C 0.962 176.816 176.117 -0.438 0.000 1.233 320 I CA 0.511 61.564 61.300 -0.412 0.000 1.346 320 I CB 1.016 38.891 38.000 -0.208 0.000 1.273 320 I HN 0.285 nan 8.210 nan 0.000 0.448 321 T N 1.120 115.532 114.554 -0.237 0.000 2.863 321 T HA 0.662 5.002 4.350 -0.017 0.000 0.285 321 T C -1.119 173.496 174.700 -0.141 0.000 1.009 321 T CA -0.480 61.518 62.100 -0.170 0.000 0.989 321 T CB 1.544 70.365 68.868 -0.079 0.000 1.004 321 T HN -0.226 nan 8.240 nan 0.000 0.455 322 V N 7.760 127.599 119.914 -0.124 0.000 2.483 322 V HA 0.343 4.453 4.120 -0.017 0.000 0.297 322 V C -1.625 174.428 176.094 -0.068 0.000 1.027 322 V CA -1.669 60.576 62.300 -0.092 0.000 0.855 322 V CB 1.785 33.551 31.823 -0.094 0.000 0.995 322 V HN 0.720 nan 8.190 nan 0.000 0.424 323 P HA -0.156 nan 4.420 nan 0.000 0.215 323 P C 1.646 178.923 177.300 -0.038 0.000 1.153 323 P CA 1.710 64.786 63.100 -0.040 0.000 0.853 323 P CB 0.164 31.843 31.700 -0.034 0.000 0.788 324 S N -1.100 114.577 115.700 -0.039 0.000 2.603 324 S HA 0.009 4.469 4.470 -0.017 0.000 0.229 324 S C 0.807 175.382 174.600 -0.042 0.000 0.972 324 S CA -0.061 58.120 58.200 -0.033 0.000 0.935 324 S CB -1.236 61.950 63.200 -0.023 0.000 0.769 324 S HN 0.103 nan 8.310 nan 0.000 0.536 325 I N 0.601 121.136 120.570 -0.059 0.000 2.474 325 I HA 0.513 4.672 4.170 -0.017 0.000 0.294 325 I C -1.102 174.976 176.117 -0.065 0.000 1.005 325 I CA -0.906 60.345 61.300 -0.082 0.000 1.113 325 I CB 1.682 39.599 38.000 -0.138 0.000 1.289 325 I HN -0.128 nan 8.210 nan 0.000 0.436 326 D N 4.644 125.010 120.400 -0.056 0.000 2.479 326 D HA 0.166 4.796 4.640 -0.017 0.000 0.247 326 D C 0.737 177.019 176.300 -0.030 0.000 1.119 326 D CA -0.227 53.753 54.000 -0.034 0.000 0.922 326 D CB 0.640 41.426 40.800 -0.022 0.000 1.014 326 D HN 0.396 nan 8.370 nan 0.000 0.510 327 D N 1.875 122.261 120.400 -0.023 0.000 2.203 327 D HA -0.220 4.410 4.640 -0.017 0.000 0.199 327 D C 1.518 177.824 176.300 0.010 0.000 0.997 327 D CA 1.099 55.099 54.000 0.000 0.000 0.863 327 D CB 0.365 41.190 40.800 0.041 0.000 0.928 327 D HN 0.634 nan 8.370 nan 0.000 0.458 328 Q N 0.495 120.299 119.800 0.007 0.000 2.079 328 Q HA -0.123 4.206 4.340 -0.017 0.000 0.200 328 Q C 2.039 178.044 176.000 0.008 0.000 0.974 328 Q CA 0.790 56.599 55.803 0.009 0.000 0.840 328 Q CB -0.146 28.596 28.738 0.007 0.000 0.898 328 Q HN 0.435 nan 8.270 nan 0.000 0.430 329 E N 0.536 120.738 120.200 0.003 0.000 2.072 329 E HA -0.147 4.193 4.350 -0.017 0.000 0.190 329 E C 1.992 178.599 176.600 0.011 0.000 0.982 329 E CA 0.603 57.006 56.400 0.006 0.000 0.803 329 E CB 0.311 30.011 29.700 -0.000 0.000 0.755 329 E HN 0.278 nan 8.360 nan 0.000 0.453 330 E N 0.746 120.948 120.200 0.003 0.000 2.077 330 E HA -0.213 4.127 4.350 -0.017 0.000 0.193 330 E C 2.310 178.924 176.600 0.023 0.000 0.989 330 E CA 0.543 56.948 56.400 0.007 0.000 0.800 330 E CB -0.404 29.285 29.700 -0.018 0.000 0.746 330 E HN 0.293 nan 8.360 nan 0.000 0.452 331 L N 0.659 121.898 121.223 0.026 0.000 2.051 331 L HA -0.247 4.082 4.340 -0.017 0.000 0.214 331 L C 2.526 179.434 176.870 0.063 0.000 1.076 331 L CA 1.365 56.233 54.840 0.046 0.000 0.758 331 L CB -0.150 41.932 42.059 0.038 0.000 0.890 331 L HN 0.145 nan 8.230 nan 0.000 0.433 332 M N -1.458 118.169 119.600 0.045 0.000 2.156 332 M HA -0.097 4.373 4.480 -0.017 0.000 0.264 332 M C 2.517 178.847 176.300 0.051 0.000 1.067 332 M CA 1.538 56.868 55.300 0.049 0.000 1.131 332 M CB -1.315 31.306 32.600 0.035 0.000 1.368 332 M HN 0.370 nan 8.290 nan 0.000 0.416 333 A N 0.957 123.803 122.820 0.043 0.000 1.892 333 A HA -0.183 4.126 4.320 -0.017 0.000 0.218 333 A C 2.381 179.996 177.584 0.052 0.000 1.188 333 A CA 2.646 54.710 52.037 0.045 0.000 0.631 333 A CB -1.335 17.691 19.000 0.042 0.000 0.822 333 A HN 0.497 nan 8.150 nan 0.000 0.447 334 T N -0.253 114.331 114.554 0.050 0.000 2.622 334 T HA -0.180 4.159 4.350 -0.017 0.000 0.266 334 T C 1.797 176.526 174.700 0.048 0.000 1.047 334 T CA 1.459 63.586 62.100 0.045 0.000 1.159 334 T CB -0.498 68.384 68.868 0.023 0.000 0.863 334 T HN 0.575 nan 8.240 nan 0.000 0.422 335 D N 1.000 121.449 120.400 0.082 0.000 2.137 335 D HA -0.129 4.501 4.640 -0.017 0.000 0.189 335 D C 2.340 178.683 176.300 0.073 0.000 0.998 335 D CA 1.882 55.950 54.000 0.114 0.000 0.839 335 D CB -0.274 40.616 40.800 0.150 0.000 0.962 335 D HN 0.352 nan 8.370 nan 0.000 0.446 336 S N 0.746 116.485 115.700 0.065 0.000 2.387 336 S HA -0.172 4.287 4.470 -0.017 0.000 0.230 336 S C 2.235 176.867 174.600 0.053 0.000 1.035 336 S CA 1.441 59.674 58.200 0.055 0.000 1.014 336 S CB -0.477 62.751 63.200 0.048 0.000 0.836 336 S HN 0.481 nan 8.310 nan 0.000 0.466 337 A N 1.730 124.581 122.820 0.052 0.000 1.902 337 A HA -0.035 4.275 4.320 -0.017 0.000 0.217 337 A C 2.116 179.741 177.584 0.068 0.000 1.181 337 A CA 1.233 53.303 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 -0.015 120.579 120.570 0.041 0.000 2.127 338 I HA -0.302 3.858 4.170 -0.017 0.000 0.241 338 I C 2.089 178.307 176.117 0.168 0.000 1.075 338 I CA 1.756 63.079 61.300 0.038 0.000 1.334 338 I CB -0.582 37.348 38.000 -0.117 0.000 1.040 338 I HN 0.359 nan 8.210 nan 0.000 0.405 339 D N 1.030 121.489 120.400 0.098 0.000 2.103 339 D HA -0.209 4.421 4.640 -0.017 0.000 0.190 339 D C 2.224 178.568 176.300 0.073 0.000 0.997 339 D CA 1.653 55.707 54.000 0.091 0.000 0.833 339 D CB -0.323 40.516 40.800 0.065 0.000 0.961 339 D HN 0.363 nan 8.370 nan 0.000 0.447 340 I N 0.758 121.363 120.570 0.057 0.000 2.335 340 I HA -0.247 3.912 4.170 -0.017 0.000 0.251 340 I C 2.223 178.349 176.117 0.014 0.000 1.129 340 I CA 0.615 61.933 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 0.544 121.798 121.223 0.052 0.000 2.633 341 L HA -0.014 4.316 4.340 -0.017 0.000 0.235 341 L C 1.639 178.431 176.870 -0.131 0.000 1.163 341 L CA 0.879 55.721 54.840 0.003 0.000 0.859 341 L CB -0.599 41.512 42.059 0.085 0.000 0.973 341 L HN 0.504 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 -0.307 3.643 3.960 -0.017 0.000 0.249 342 G HA3 -0.307 3.643 3.960 -0.017 0.000 0.249 342 G C 0.222 175.044 174.900 -0.129 0.000 0.981 342 G CA -0.475 44.557 45.100 -0.113 0.000 0.665 342 G HN 0.160 nan 8.290 nan 0.000 0.528 343 F N 1.542 121.428 119.950 -0.107 0.000 2.506 343 F HA 0.521 5.037 4.527 -0.018 0.000 0.351 343 F C 1.370 177.142 175.800 -0.046 0.000 1.136 343 F CA 0.744 58.678 58.000 -0.110 0.000 1.298 343 F CB 1.175 40.091 39.000 -0.139 0.000 1.145 343 F HN 0.074 nan 8.300 nan 0.000 0.593 344 S N 1.764 117.579 115.700 0.191 0.000 2.576 344 S HA 0.356 4.815 4.470 -0.017 0.000 0.276 344 S C 1.094 175.776 174.600 0.136 0.000 1.339 344 S CA -0.148 58.130 58.200 0.130 0.000 1.039 344 S CB 0.931 64.201 63.200 0.117 0.000 0.902 344 S HN 0.779 nan 8.310 nan 0.000 0.516 345 A N 3.634 126.512 122.820 0.097 0.000 1.908 345 A HA -0.124 4.186 4.320 -0.017 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 -0.148 120.302 120.400 0.084 0.000 2.103 346 D HA -0.126 4.503 4.640 -0.017 0.000 0.190 346 D C 1.152 177.507 176.300 0.091 0.000 0.997 346 D CA 1.395 55.439 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 1.994 124.825 122.820 0.018 0.000 1.883 350 A HA 0.015 4.324 4.320 -0.017 0.000 0.217 350 A C 2.099 179.650 177.584 -0.056 0.000 1.186 350 A CA 1.596 53.609 52.037 -0.040 0.000 0.624 350 A CB -0.885 18.065 19.000 -0.082 0.000 0.822 350 A HN 0.537 nan 8.150 nan 0.000 0.444 351 I N -1.580 118.946 120.570 -0.074 0.000 2.118 351 I HA -0.245 3.914 4.170 -0.017 0.000 0.241 351 I C 1.411 177.478 176.117 -0.083 0.000 1.070 351 I CA 1.194 62.399 61.300 -0.158 0.000 1.327 351 I CB -0.919 36.882 38.000 -0.332 0.000 1.034 351 I HN 0.310 nan 8.210 nan 0.000 0.405 355 T N -0.646 113.958 114.554 0.084 0.000 3.035 355 T HA 0.056 4.395 4.350 -0.017 0.000 0.268 355 T C 1.475 176.319 174.700 0.239 0.000 1.109 355 T CA 1.309 63.510 62.100 0.168 0.000 1.119 355 T CB -0.114 68.824 68.868 0.116 0.000 0.900 355 T HN 0.448 nan 8.240 nan 0.000 0.503 356 G N 0.643 109.544 108.800 0.169 0.000 2.545 356 G HA2 0.259 4.208 3.960 -0.017 0.000 0.212 356 G HA3 0.259 4.208 3.960 -0.017 0.000 0.212 356 G C 1.782 176.792 174.900 0.184 0.000 1.144 356 G CA 0.561 45.740 45.100 0.132 0.000 0.813 356 G HN 0.482 nan 8.290 nan 0.000 0.531 357 A N 0.779 123.721 122.820 0.204 0.000 1.892 357 A HA -0.048 4.262 4.320 -0.017 0.000 0.218 357 A C 2.566 180.223 177.584 0.122 0.000 1.188 357 A CA 2.031 54.202 52.037 0.223 0.000 0.631 357 A CB -0.852 18.172 19.000 0.040 0.000 0.822 357 A HN 0.266 nan 8.150 nan 0.000 0.447 358 V N 0.192 120.111 119.914 0.008 0.000 2.324 358 V HA -0.366 3.743 4.120 -0.017 0.000 0.250 358 V C 2.681 178.903 176.094 0.212 0.000 1.060 358 V CA 2.296 64.626 62.300 0.050 0.000 1.042 358 V CB -0.754 31.194 31.823 0.207 0.000 0.650 358 V HN 0.574 nan 8.190 nan 0.000 0.450 359 M N -0.939 118.743 119.600 0.137 0.000 2.086 359 M HA -0.197 4.272 4.480 -0.017 0.000 0.261 359 M C 2.206 178.561 176.300 0.092 0.000 1.067 359 M CA 2.107 57.412 55.300 0.009 0.000 1.116 359 M CB -0.877 31.563 32.600 -0.268 0.000 1.348 359 M HN 0.434 nan 8.290 nan 0.000 0.407 360 H N -1.020 118.203 119.070 0.256 0.000 2.387 360 H HA -0.185 4.361 4.556 -0.018 0.000 0.299 360 H C 1.887 177.355 175.328 0.234 0.000 1.099 360 H CA 1.750 57.958 56.048 0.265 0.000 1.315 360 H CB -0.069 29.864 29.762 0.284 0.000 1.380 360 H HN 0.251 nan 8.280 nan 0.000 0.513 361 Y N 0.208 120.610 120.300 0.169 0.000 2.114 361 Y HA -0.170 4.369 4.550 -0.018 0.000 0.282 361 Y C 2.765 178.579 175.900 -0.143 0.000 1.165 361 Y CA 1.401 59.569 58.100 0.113 0.000 1.148 361 Y CB -0.950 37.660 38.460 0.251 0.000 0.972 361 Y HN 0.265 nan 8.280 nan 0.000 0.504 362 G N -0.889 107.594 108.800 -0.528 0.000 2.586 362 G HA2 -0.226 3.723 3.960 -0.017 0.000 0.215 362 G HA3 -0.226 3.723 3.960 -0.017 0.000 0.215 362 G C 1.382 175.994 174.900 -0.480 0.000 1.128 362 G CA 0.914 45.135 45.100 -1.465 0.000 0.774 362 G HN 0.312 nan 8.290 nan 0.000 0.543 363 N N -0.659 117.924 118.700 -0.196 0.000 2.282 363 N HA 0.129 4.858 4.740 -0.017 0.000 0.185 363 N C 0.257 175.717 175.510 -0.083 0.000 1.099 363 N CA -0.331 52.653 53.050 -0.110 0.000 0.878 363 N CB 0.229 38.684 38.487 -0.055 0.000 0.993 363 N HN 0.135 nan 8.380 nan 0.000 0.481 364 L N 1.399 122.593 121.223 -0.048 0.000 2.513 364 L HA 0.037 4.366 4.340 -0.017 0.000 0.272 364 L C 0.271 177.093 176.870 -0.079 0.000 1.187 364 L CA 0.715 55.498 54.840 -0.096 0.000 0.895 364 L CB 0.175 42.218 42.059 -0.027 0.000 1.147 364 L HN -0.157 nan 8.230 nan 0.000 0.483 365 K N 2.915 123.135 120.400 -0.300 0.000 2.318 365 K HA 0.750 5.060 4.320 -0.017 0.000 0.249 365 K C -1.222 175.021 176.600 -0.595 0.000 0.942 365 K CA -0.284 55.910 56.287 -0.155 0.000 0.808 365 K CB 1.365 33.792 32.500 -0.121 0.000 1.189 365 K HN 0.218 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 4.131 4.340 -0.017 0.000 0.428 371 R C -0.326 175.982 176.300 0.014 0.000 1.079 371 R CA 1.446 57.553 56.100 0.012 0.000 1.269 371 R CB -0.903 29.404 30.300 0.011 0.000 1.856 371 R HN 0.574 nan 8.270 nan 0.000 0.551 372 E N 0.207 120.418 120.200 0.017 0.000 2.336 372 E HA 0.237 4.577 4.350 -0.017 0.000 0.267 372 E C -0.452 176.156 176.600 0.013 0.000 0.906 372 E CA -0.544 55.868 56.400 0.020 0.000 0.781 372 E CB 1.723 31.443 29.700 0.034 0.000 1.261 372 E HN 0.134 nan 8.360 nan 0.000 0.436 373 E N 0.920 121.125 120.200 0.008 0.000 2.451 373 E HA 0.015 4.355 4.350 -0.017 0.000 0.194 373 E C -0.241 176.347 176.600 -0.020 0.000 1.027 373 E CA -0.064 56.333 56.400 -0.005 0.000 0.914 373 E CB 0.650 30.347 29.700 -0.005 0.000 1.054 373 E HN 0.240 nan 8.360 nan 0.000 0.461 374 Q N 0.165 119.959 119.800 -0.009 0.000 2.221 374 Q HA 0.480 4.810 4.340 -0.017 0.000 0.242 374 Q C -0.950 175.010 176.000 -0.066 0.000 0.940 374 Q CA -0.399 55.382 55.803 -0.038 0.000 0.896 374 Q CB 1.342 30.091 28.738 0.019 0.000 1.226 374 Q HN 0.132 nan 8.270 nan 0.000 0.463 375 A N 2.618 125.346 122.820 -0.154 0.000 2.301 375 A HA 0.510 4.820 4.320 -0.017 0.000 0.298 375 A C -0.992 176.523 177.584 -0.116 0.000 1.185 375 A CA -0.338 51.603 52.037 -0.160 0.000 0.830 375 A CB 0.323 19.131 19.000 -0.320 0.000 1.112 375 A HN 0.783 nan 8.150 nan 0.000 0.508 376 E N 2.798 123.017 120.200 0.031 0.000 2.272 376 E HA 0.626 4.966 4.350 -0.017 0.000 0.269 376 E C -2.997 173.725 176.600 0.202 0.000 0.877 376 E CA -2.217 54.241 56.400 0.098 0.000 0.755 376 E CB 1.753 31.504 29.700 0.085 0.000 1.192 376 E HN 0.319 nan 8.360 nan 0.000 0.422 377 P HA 0.008 nan 4.420 nan 0.000 0.264 377 P C -0.439 176.814 177.300 -0.078 0.000 1.183 377 P CA 0.115 63.231 63.100 0.027 0.000 0.763 377 P CB 0.510 32.205 31.700 -0.009 0.000 0.807 378 D N 1.676 121.944 120.400 -0.221 0.000 2.460 378 D HA 0.307 4.936 4.640 -0.017 0.000 0.229 378 D C 0.443 176.656 176.300 -0.144 0.000 1.170 378 D CA 0.096 54.014 54.000 -0.138 0.000 0.827 378 D CB -0.494 40.234 40.800 -0.119 0.000 0.973 378 D HN 0.580 nan 8.370 nan 0.000 0.496 379 G N -0.706 108.007 108.800 -0.145 0.000 2.316 379 G HA2 0.095 4.045 3.960 -0.017 0.000 0.468 379 G HA3 0.095 4.045 3.960 -0.017 0.000 0.468 379 G C -0.303 174.523 174.900 -0.123 0.000 1.523 379 G CA -0.313 44.718 45.100 -0.113 0.000 0.972 379 G HN 0.102 nan 8.290 nan 0.000 0.667 380 T N -1.730 112.775 114.554 -0.082 0.000 3.444 380 T HA 0.605 4.945 4.350 -0.017 0.000 0.265 380 T C 0.489 175.152 174.700 -0.061 0.000 1.537 380 T CA 0.047 62.105 62.100 -0.069 0.000 1.530 380 T CB 1.350 70.193 68.868 -0.042 0.000 0.958 380 T HN 0.534 nan 8.240 nan 0.000 0.684 381 E N 0.632 120.788 120.200 -0.073 0.000 2.207 381 E HA 0.066 4.405 4.350 -0.017 0.000 0.197 381 E C 1.557 178.114 176.600 -0.071 0.000 0.914 381 E CA 0.464 56.825 56.400 -0.063 0.000 0.914 381 E CB 0.529 30.193 29.700 -0.061 0.000 0.893 381 E HN 0.393 nan 8.360 nan 0.000 0.479 382 V N 1.243 121.110 119.914 -0.078 0.000 2.599 382 V HA -0.021 4.088 4.120 -0.017 0.000 0.245 382 V C 2.349 178.396 176.094 -0.078 0.000 1.046 382 V CA 1.356 63.608 62.300 -0.079 0.000 1.065 382 V CB -0.225 31.579 31.823 -0.031 0.000 0.703 382 V HN 0.267 nan 8.190 nan 0.000 0.464 383 A N -0.299 122.477 122.820 -0.073 0.000 1.933 383 A HA -0.146 4.163 4.320 -0.017 0.000 0.218 383 A C 1.256 178.837 177.584 -0.006 0.000 1.175 383 A CA 1.277 53.288 52.037 -0.043 0.000 0.628 383 A CB -0.495 18.470 19.000 -0.057 0.000 0.814 383 A HN 0.507 nan 8.150 nan 0.000 0.444 387 A N -0.505 122.415 122.820 0.168 0.000 1.883 387 A HA -0.018 4.291 4.320 -0.017 0.000 0.217 387 A C 2.003 179.684 177.584 0.161 0.000 1.186 387 A CA 2.154 54.286 52.037 0.159 0.000 0.624 387 A CB -0.912 18.161 19.000 0.121 0.000 0.822 387 A HN 1.366 nan 8.150 nan 0.000 0.444 388 Y N -0.246 120.079 120.300 0.043 0.000 2.200 388 Y HA -0.085 4.454 4.550 -0.017 0.000 0.290 388 Y C 1.826 177.752 175.900 0.043 0.000 1.137 388 Y CA 1.443 59.564 58.100 0.034 0.000 1.163 388 Y CB -0.323 38.147 38.460 0.016 0.000 0.988 388 Y HN 0.161 nan 8.280 nan 0.000 0.518 389 L N 0.221 121.396 121.223 -0.080 0.000 2.191 389 L HA -0.166 4.163 4.340 -0.017 0.000 0.212 389 L C 2.025 178.819 176.870 -0.128 0.000 1.103 389 L CA 1.702 56.449 54.840 -0.155 0.000 0.769 389 L CB -0.774 41.329 42.059 0.074 0.000 0.908 389 L HN 0.406 nan 8.230 nan 0.000 0.438 390 M N -2.024 117.546 119.600 -0.049 0.000 2.441 390 M HA 0.253 4.723 4.480 -0.017 0.000 0.244 390 M C 1.048 177.315 176.300 -0.055 0.000 1.122 390 M CA 0.582 55.848 55.300 -0.056 0.000 1.041 390 M CB 0.338 32.934 32.600 -0.007 0.000 1.438 390 M HN 0.297 nan 8.290 nan 0.000 0.484 391 G N 1.972 110.734 108.800 -0.064 0.000 2.248 391 G HA2 -0.189 3.760 3.960 -0.017 0.000 0.263 391 G HA3 -0.189 3.760 3.960 -0.017 0.000 0.263 391 G C -0.657 174.262 174.900 0.031 0.000 1.082 391 G CA -0.275 44.804 45.100 -0.035 0.000 0.863 391 G HN 0.266 nan 8.290 nan 0.000 0.495 392 L N -0.358 120.905 121.223 0.067 0.000 2.260 392 L HA 0.747 5.077 4.340 -0.017 0.000 0.265 392 L C 0.187 177.112 176.870 0.092 0.000 1.015 392 L CA -1.580 53.317 54.840 0.095 0.000 0.826 392 L CB 1.551 43.693 42.059 0.138 0.000 1.373 392 L HN 0.235 nan 8.230 nan 0.000 0.450 393 N N -0.723 118.026 118.700 0.082 0.000 2.443 393 N HA 0.177 4.906 4.740 -0.017 0.000 0.269 393 N C 0.382 175.930 175.510 0.064 0.000 0.985 393 N CA 0.023 53.114 53.050 0.069 0.000 0.921 393 N CB 1.709 40.227 38.487 0.052 0.000 1.195 393 N HN 0.515 nan 8.380 nan 0.000 0.492 394 S N 2.622 118.358 115.700 0.060 0.000 2.378 394 S HA -0.261 4.199 4.470 -0.017 0.000 0.229 394 S C 1.743 176.368 174.600 0.041 0.000 1.052 394 S CA 2.217 60.445 58.200 0.046 0.000 1.084 394 S CB -0.152 63.065 63.200 0.029 0.000 0.950 394 S HN 0.780 nan 8.310 nan 0.000 0.440 395 A N 1.033 123.875 122.820 0.038 0.000 1.835 395 A HA -0.128 4.182 4.320 -0.017 0.000 0.215 395 A C 1.958 179.569 177.584 0.045 0.000 1.199 395 A CA 1.596 53.657 52.037 0.040 0.000 0.615 395 A CB -0.877 18.143 19.000 0.033 0.000 0.838 395 A HN 0.572 nan 8.150 nan 0.000 0.444 396 E N -0.798 119.425 120.200 0.039 0.000 2.147 396 E HA -0.260 4.080 4.350 -0.017 0.000 0.199 396 E C 1.936 178.555 176.600 0.031 0.000 1.005 396 E CA 1.490 57.910 56.400 0.033 0.000 0.810 396 E CB -0.327 29.391 29.700 0.029 0.000 0.736 396 E HN 0.525 nan 8.360 nan 0.000 0.460 397 L N 0.508 121.754 121.223 0.039 0.000 2.005 397 L HA -0.167 4.163 4.340 -0.017 0.000 0.207 397 L C 2.063 178.953 176.870 0.035 0.000 1.072 397 L CA 1.493 56.354 54.840 0.036 0.000 0.744 397 L CB -0.342 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 -0.224 121.034 121.223 0.057 0.000 2.275 398 L HA -0.121 4.209 4.340 -0.017 0.000 0.215 398 L C 2.456 179.378 176.870 0.086 0.000 1.119 398 L CA 1.380 56.276 54.840 0.094 0.000 0.790 398 L CB -1.092 41.026 42.059 0.098 0.000 0.919 398 L HN 0.319 nan 8.230 nan 0.000 0.443 399 K N -0.613 119.838 120.400 0.085 0.000 1.980 399 K HA -0.054 4.256 4.320 -0.017 0.000 0.208 399 K C 2.102 178.750 176.600 0.080 0.000 1.043 399 K CA 1.187 57.555 56.287 0.136 0.000 0.938 399 K CB -0.227 32.344 32.500 0.119 0.000 0.724 399 K HN 0.239 nan 8.250 nan 0.000 0.438 400 A N 1.677 124.516 122.820 0.032 0.000 1.940 400 A HA -0.234 4.075 4.320 -0.017 0.000 0.221 400 A C 2.112 179.656 177.584 -0.066 0.000 1.190 400 A CA 1.657 53.684 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 -1.010 120.166 121.223 -0.079 0.000 2.017 401 L HA -0.149 4.180 4.340 -0.017 0.000 0.208 401 L C 2.668 179.382 176.870 -0.259 0.000 1.073 401 L CA 1.923 56.674 54.840 -0.148 0.000 0.745 401 L CB -0.874 41.123 42.059 -0.103 0.000 0.894 401 L HN 0.542 nan 8.230 nan 0.000 0.432 402 C N -2.209 116.923 119.300 -0.280 0.000 2.505 402 C HA -0.025 4.425 4.460 -0.017 0.000 0.279 402 C C 0.860 175.398 174.990 -0.753 0.000 1.316 402 C CA -0.133 58.558 59.018 -0.545 0.000 1.720 402 C CB -0.620 26.785 27.740 -0.558 0.000 2.050 402 C HN 0.406 nan 8.230 nan 0.000 0.493 403 Y N 0.884 121.145 120.300 -0.066 0.000 2.553 403 Y HA 0.307 4.845 4.550 -0.019 0.000 0.369 403 Y C -2.320 173.547 175.900 -0.054 0.000 0.964 403 Y CA -3.203 54.865 58.100 -0.053 0.000 1.156 403 Y CB -0.596 37.843 38.460 -0.036 0.000 1.218 403 Y HN 0.197 nan 8.280 nan 0.000 0.630 404 P HA -0.088 nan 4.420 nan 0.000 0.256 404 P C -0.119 177.190 177.300 0.015 0.000 1.173 404 P CA 0.321 63.410 63.100 -0.018 0.000 0.768 404 P CB 0.379 32.047 31.700 -0.053 0.000 0.758 405 R N 3.615 124.121 120.500 0.009 0.000 2.230 405 R HA 0.402 4.731 4.340 -0.017 0.000 0.337 405 R C -0.641 175.656 176.300 -0.005 0.000 1.063 405 R CA -0.685 55.421 56.100 0.009 0.000 0.935 405 R CB 0.092 30.398 30.300 0.010 0.000 1.121 405 R HN 0.102 nan 8.270 nan 0.000 0.486 406 V N 2.323 122.236 119.914 -0.003 0.000 3.596 406 V HA 0.503 4.613 4.120 -0.017 0.000 0.288 406 V C 1.062 177.154 176.094 -0.003 0.000 1.021 406 V CA -0.174 62.123 62.300 -0.005 0.000 1.020 406 V CB 1.565 33.386 31.823 -0.003 0.000 1.243 406 V HN 0.947 nan 8.190 nan 0.000 0.433 407 G N 0.072 108.871 108.800 -0.002 0.000 4.566 407 G HA2 0.445 4.395 3.960 -0.017 0.000 0.276 407 G HA3 0.445 4.395 3.960 -0.017 0.000 0.276 407 G C -0.972 173.927 174.900 -0.002 0.000 1.248 407 G CA -0.113 44.986 45.100 -0.002 0.000 0.858 407 G HN 0.400 nan 8.290 nan 0.000 0.549 408 V N 1.668 121.581 119.914 -0.002 0.000 2.389 408 V HA 0.689 4.799 4.120 -0.017 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 -0.003 0.000 0.932 408 V CB 0.182 32.005 31.823 -0.001 0.000 1.011 408 V HN 1.197 nan 8.190 nan 0.000 0.475 409 G N 5.440 114.236 108.800 -0.006 0.000 2.846 409 G HA2 -0.199 3.751 3.960 -0.017 0.000 0.225 409 G HA3 -0.199 3.751 3.960 -0.017 0.000 0.225 409 G C 0.277 175.174 174.900 -0.006 0.000 1.285 409 G CA 0.143 45.239 45.100 -0.006 0.000 1.055 409 G HN 0.818 nan 8.290 nan 0.000 0.579 410 N N 2.011 120.708 118.700 -0.005 0.000 2.170 410 N HA 0.195 4.925 4.740 -0.017 0.000 0.222 410 N C 0.583 176.090 175.510 -0.004 0.000 1.218 410 N CA 1.018 54.065 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 0.966 nan 8.380 nan 0.000 0.520 411 E N 0.352 120.550 120.200 -0.004 0.000 2.573 411 E HA 0.736 5.076 4.350 -0.017 0.000 0.218 411 E C -1.117 175.481 176.600 -0.003 0.000 0.777 411 E CA -1.307 55.091 56.400 -0.004 0.000 0.970 411 E CB 1.167 30.864 29.700 -0.004 0.000 1.666 411 E HN -0.045 nan 8.360 nan 0.000 0.384 412 A N 0.933 123.750 122.820 -0.004 0.000 2.466 412 A HA 0.458 4.768 4.320 -0.017 0.000 0.291 412 A C -0.894 176.688 177.584 -0.003 0.000 1.234 412 A CA -0.700 51.335 52.037 -0.003 0.000 0.752 412 A CB 0.685 19.683 19.000 -0.004 0.000 1.153 412 A HN 0.252 nan 8.150 nan 0.000 0.458 413 V N 3.056 122.970 119.914 -0.001 0.000 2.385 413 V HA 0.288 4.398 4.120 -0.017 0.000 0.269 413 V C 0.964 177.062 176.094 0.006 0.000 1.043 413 V CA -0.098 62.203 62.300 0.001 0.000 0.906 413 V CB 0.721 32.545 31.823 0.002 0.000 0.995 413 V HN 0.880 nan 8.190 nan 0.000 0.467 417 E N 0.093 120.186 120.200 -0.179 0.000 2.281 417 E HA 0.667 5.007 4.350 -0.017 0.000 0.262 417 E C -0.196 176.286 176.600 -0.197 0.000 0.933 417 E CA -0.732 55.558 56.400 -0.183 0.000 0.809 417 E CB 2.174 31.740 29.700 -0.223 0.000 1.242 417 E HN 0.406 nan 8.360 nan 0.000 0.418 418 T N 0.242 114.699 114.554 -0.162 0.000 2.881 418 T HA 0.094 4.434 4.350 -0.017 0.000 0.278 418 T C 1.593 176.165 174.700 -0.213 0.000 0.982 418 T CA -0.704 61.308 62.100 -0.147 0.000 0.989 418 T CB 1.250 70.062 68.868 -0.092 0.000 1.058 418 T HN 0.196 nan 8.240 nan 0.000 0.529 419 V N 1.213 121.016 119.914 -0.186 0.000 2.255 419 V HA -0.180 3.930 4.120 -0.017 0.000 0.247 419 V C 2.683 178.612 176.094 -0.275 0.000 1.051 419 V CA 2.046 64.190 62.300 -0.261 0.000 1.018 419 V CB -1.025 30.713 31.823 -0.142 0.000 0.641 419 V HN 0.939 nan 8.190 nan 0.000 0.445 420 S N -0.467 115.163 115.700 -0.117 0.000 2.419 420 S HA -0.227 4.233 4.470 -0.017 0.000 0.235 420 S C 1.855 176.424 174.600 -0.053 0.000 1.019 420 S CA 1.611 59.793 58.200 -0.031 0.000 0.982 420 S CB -0.348 62.855 63.200 0.005 0.000 0.789 420 S HN 0.730 nan 8.310 nan 0.000 0.490 421 E N 0.428 120.559 120.200 -0.115 0.000 2.158 421 E HA -0.046 4.293 4.350 -0.017 0.000 0.191 421 E C 2.019 178.524 176.600 -0.159 0.000 0.982 421 E CA 0.857 57.190 56.400 -0.113 0.000 0.823 421 E CB -0.127 29.500 29.700 -0.122 0.000 0.766 421 E HN 0.353 nan 8.360 nan 0.000 0.468 422 V N 1.367 121.103 119.914 -0.296 0.000 2.255 422 V HA -0.211 3.898 4.120 -0.017 0.000 0.243 422 V C 2.120 178.091 176.094 -0.205 0.000 1.038 422 V CA 1.664 63.708 62.300 -0.427 0.000 1.008 422 V CB -0.756 30.505 31.823 -0.938 0.000 0.645 422 V HN 0.252 nan 8.190 nan 0.000 0.449 423 H N 0.960 119.960 119.070 -0.117 0.000 2.394 423 H HA -0.173 4.373 4.556 -0.017 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 -0.649 29.176 29.762 0.104 0.000 1.370 423 H HN 0.578 nan 8.280 nan 0.000 0.506 424 N N -0.194 118.596 118.700 0.149 0.000 2.216 424 N HA -0.115 4.615 4.740 -0.017 0.000 0.183 424 N C 2.126 177.685 175.510 0.082 0.000 1.017 424 N CA 1.116 54.229 53.050 0.105 0.000 0.861 424 N CB 0.062 38.584 38.487 0.059 0.000 0.986 424 N HN 0.307 nan 8.380 nan 0.000 0.428 425 S N 0.616 116.335 115.700 0.031 0.000 2.383 425 S HA -0.062 4.397 4.470 -0.017 0.000 0.227 425 S C 2.116 176.774 174.600 0.096 0.000 1.026 425 S CA 0.642 58.858 58.200 0.027 0.000 0.981 425 S CB -0.703 62.475 63.200 -0.036 0.000 0.818 425 S HN 0.016 nan 8.310 nan 0.000 0.472 426 V N 2.730 122.722 119.914 0.129 0.000 2.233 426 V HA -0.124 3.985 4.120 -0.017 0.000 0.247 426 V C 2.995 179.312 176.094 0.371 0.000 1.050 426 V CA 2.080 64.528 62.300 0.246 0.000 1.010 426 V CB -1.784 30.202 31.823 0.272 0.000 0.637 426 V HN 0.653 nan 8.190 nan 0.000 0.444 427 G N -0.604 108.395 108.800 0.332 0.000 2.469 427 G HA2 -0.265 3.685 3.960 -0.017 0.000 0.220 427 G HA3 -0.265 3.685 3.960 -0.017 0.000 0.220 427 G C 1.715 176.710 174.900 0.159 0.000 1.136 427 G CA 1.217 46.466 45.100 0.249 0.000 0.759 427 G HN 0.660 nan 8.290 nan 0.000 0.562 428 A N 0.298 123.206 122.820 0.147 0.000 1.930 428 A HA 0.166 4.476 4.320 -0.017 0.000 0.217 428 A C 2.420 180.105 177.584 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 -0.437 120.928 121.223 0.236 0.000 2.044 429 L HA 0.048 4.377 4.340 -0.017 0.000 0.205 429 L C 2.048 179.108 176.870 0.317 0.000 1.075 429 L CA 0.383 55.413 54.840 0.316 0.000 0.747 429 L CB -0.934 41.368 42.059 0.405 0.000 0.903 429 L HN 0.383 nan 8.230 nan 0.000 0.435 433 V N 0.178 120.265 119.914 0.288 0.000 2.287 433 V HA -0.290 3.820 4.120 -0.017 0.000 0.248 433 V C 2.220 178.350 176.094 0.061 0.000 1.053 433 V CA 2.664 65.074 62.300 0.183 0.000 1.027 433 V CB -1.094 30.817 31.823 0.146 0.000 0.646 433 V HN 0.625 nan 8.190 nan 0.000 0.447 434 Y N 1.244 121.545 120.300 0.001 0.000 2.081 434 Y HA -0.205 4.334 4.550 -0.018 0.000 0.280 434 Y C 1.831 177.702 175.900 -0.047 0.000 1.163 434 Y CA 1.878 59.966 58.100 -0.019 0.000 1.135 434 Y CB -0.280 38.183 38.460 0.005 0.000 0.970 434 Y HN 0.427 nan 8.280 nan 0.000 0.498 438 F N 2.297 121.997 119.950 -0.417 0.000 2.161 438 F HA -0.165 4.351 4.527 -0.018 0.000 0.300 438 F C 1.363 176.988 175.800 -0.291 0.000 1.089 438 F CA 2.057 59.781 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 -0.777 120.428 121.223 -0.031 0.000 2.017 439 L HA -0.193 4.136 4.340 -0.017 0.000 0.208 439 L C 2.076 178.878 176.870 -0.114 0.000 1.073 439 L CA 1.761 56.551 54.840 -0.084 0.000 0.745 439 L CB -1.943 40.121 42.059 0.009 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 -0.235 0.000 2.333 440 W HA -0.267 4.383 4.660 -0.017 0.000 0.316 440 W C 2.676 179.078 176.519 -0.196 0.000 1.215 440 W CA 1.797 59.025 57.345 -0.194 0.000 1.278 440 W CB -0.416 28.937 29.460 -0.177 0.000 1.154 440 W HN 0.093 nan 8.180 nan 0.000 0.486 441 M N -0.232 119.162 119.600 -0.345 0.000 2.089 441 M HA -0.302 4.168 4.480 -0.017 0.000 0.257 441 M C 1.874 177.912 176.300 -0.437 0.000 1.071 441 M CA 2.342 57.339 55.300 -0.504 0.000 1.096 441 M CB -0.869 31.370 32.600 -0.602 0.000 1.330 441 M HN -0.066 nan 8.290 nan 0.000 0.403 442 V N 0.469 120.077 119.914 -0.509 0.000 2.255 442 V HA -0.311 3.798 4.120 -0.017 0.000 0.247 442 V C 2.125 178.020 176.094 -0.333 0.000 1.051 442 V CA 2.054 64.098 62.300 -0.427 0.000 1.018 442 V CB -0.556 30.999 31.823 -0.447 0.000 0.641 442 V HN 0.428 nan 8.190 nan 0.000 0.445 443 I N -0.690 119.696 120.570 -0.308 0.000 2.118 443 I HA -0.264 3.896 4.170 -0.017 0.000 0.241 443 I C 2.788 178.693 176.117 -0.353 0.000 1.070 443 I CA 1.583 62.725 61.300 -0.263 0.000 1.327 443 I CB -0.433 37.455 38.000 -0.187 0.000 1.034 443 I HN 0.187 nan 8.210 nan 0.000 0.405 444 R N 0.387 120.566 120.500 -0.535 0.000 2.105 444 R HA -0.133 4.196 4.340 -0.017 0.000 0.239 444 R C 2.201 178.125 176.300 -0.628 0.000 1.135 444 R CA 1.477 57.163 56.100 -0.690 0.000 0.967 444 R CB -0.715 28.912 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 -0.487 0.000 2.113 445 I HA -0.318 3.842 4.170 -0.017 0.000 0.238 445 I C 1.957 177.903 176.117 -0.284 0.000 1.070 445 I CA 1.228 62.318 61.300 -0.350 0.000 1.332 445 I CB -0.549 37.316 38.000 -0.225 0.000 1.044 445 I HN 0.131 nan 8.210 nan 0.000 0.402 446 N N 1.099 119.651 118.700 -0.247 0.000 2.133 446 N HA -0.277 4.453 4.740 -0.017 0.000 0.193 446 N C 1.839 177.226 175.510 -0.205 0.000 1.012 446 N CA 1.868 54.799 53.050 -0.199 0.000 0.871 446 N CB -0.464 37.913 38.487 -0.183 0.000 1.011 446 N HN 0.601 nan 8.380 nan 0.000 0.435 447 Q N 0.085 119.738 119.800 -0.245 0.000 2.124 447 Q HA -0.168 4.162 4.340 -0.017 0.000 0.202 447 Q C 1.663 177.534 176.000 -0.215 0.000 0.977 447 Q CA 1.328 56.995 55.803 -0.226 0.000 0.850 447 Q CB -0.293 28.322 28.738 -0.205 0.000 0.901 447 Q HN 0.201 nan 8.270 nan 0.000 0.429 448 Q N 0.353 120.003 119.800 -0.250 0.000 2.137 448 Q HA 0.036 4.366 4.340 -0.017 0.000 0.198 448 Q C 1.428 177.331 176.000 -0.162 0.000 0.960 448 Q CA 0.714 56.391 55.803 -0.210 0.000 0.847 448 Q CB 0.108 28.703 28.738 -0.237 0.000 0.915 448 Q HN 0.298 nan 8.270 nan 0.000 0.448 449 L N 1.193 122.319 121.223 -0.163 0.000 2.749 449 L HA 0.021 4.351 4.340 -0.017 0.000 0.245 449 L C -0.309 176.479 176.870 -0.137 0.000 1.156 449 L CA 0.842 55.602 54.840 -0.134 0.000 0.890 449 L CB -0.771 41.212 42.059 -0.127 0.000 1.036 449 L HN 0.056 nan 8.230 nan 0.000 0.441 450 D N -0.595 119.719 120.400 -0.143 0.000 2.280 450 D HA 0.384 5.013 4.640 -0.017 0.000 0.236 450 D C 0.184 176.411 176.300 -0.122 0.000 1.082 450 D CA -0.022 53.891 54.000 -0.144 0.000 0.834 450 D CB 1.146 41.860 40.800 -0.143 0.000 1.100 450 D HN 0.156 nan 8.370 nan 0.000 0.486 451 T N -0.038 114.444 114.554 -0.120 0.000 2.940 451 T HA 0.442 4.782 4.350 -0.017 0.000 0.288 451 T C 1.033 175.678 174.700 -0.093 0.000 1.045 451 T CA -0.765 61.278 62.100 -0.095 0.000 1.018 451 T CB 1.954 70.775 68.868 -0.079 0.000 1.151 451 T HN 0.153 nan 8.240 nan 0.000 0.529 452 K N -0.090 120.266 120.400 -0.073 0.000 2.211 452 K HA 0.064 4.374 4.320 -0.017 0.000 0.201 452 K C 0.753 177.317 176.600 -0.060 0.000 1.052 452 K CA 0.310 56.558 56.287 -0.065 0.000 0.973 452 K CB 0.020 32.489 32.500 -0.052 0.000 0.766 452 K HN 0.656 nan 8.250 nan 0.000 0.466 453 Q N 2.178 121.947 119.800 -0.052 0.000 2.352 453 Q HA -0.024 4.305 4.340 -0.017 0.000 0.326 453 Q C -2.332 173.638 176.000 -0.050 0.000 1.135 453 Q CA -1.110 54.667 55.803 -0.042 0.000 1.000 453 Q CB -0.637 28.083 28.738 -0.030 0.000 1.237 453 Q HN 0.019 nan 8.270 nan 0.000 0.409 454 P HA 0.091 nan 4.420 nan 0.000 0.272 454 P C -0.959 176.312 177.300 -0.048 0.000 1.223 454 P CA -0.016 63.056 63.100 -0.047 0.000 0.784 454 P CB 0.622 32.297 31.700 -0.041 0.000 0.923 455 R N 1.297 121.765 120.500 -0.053 0.000 2.561 455 R HA 0.378 4.708 4.340 -0.017 0.000 0.297 455 R C 0.657 176.908 176.300 -0.081 0.000 0.969 455 R CA -0.612 55.471 56.100 -0.028 0.000 0.879 455 R CB 1.940 32.247 30.300 0.012 0.000 1.178 455 R HN 0.400 nan 8.270 nan 0.000 0.445 456 Q N 1.028 120.682 119.800 -0.243 0.000 2.431 456 Q HA 0.181 4.511 4.340 -0.017 0.000 0.244 456 Q C -0.566 175.102 176.000 -0.553 0.000 0.880 456 Q CA 0.735 56.211 55.803 -0.545 0.000 0.954 456 Q CB 0.890 29.047 28.738 -0.968 0.000 1.105 456 Q HN 0.552 nan 8.270 nan 0.000 0.558 457 Y N -1.006 119.405 120.300 0.186 0.000 2.670 457 Y HA 0.506 5.045 4.550 -0.017 0.000 0.334 457 Y C -0.663 175.371 175.900 0.224 0.000 1.185 457 Y CA -1.999 56.189 58.100 0.148 0.000 1.053 457 Y CB 0.771 39.247 38.460 0.027 0.000 1.298 457 Y HN -0.038 nan 8.280 nan 0.000 0.459 458 F N -0.824 119.238 119.950 0.186 0.000 2.650 458 F HA 0.911 5.428 4.527 -0.017 0.000 0.320 458 F C -1.893 173.925 175.800 0.030 0.000 1.091 458 F CA -1.853 56.113 58.000 -0.057 0.000 0.962 458 F CB 1.644 40.253 39.000 -0.652 0.000 1.363 458 F HN 0.353 nan 8.300 nan 0.000 0.482 459 I N 1.815 122.483 120.570 0.164 0.000 2.439 459 I HA 0.494 4.653 4.170 -0.017 0.000 0.283 459 I C 0.008 176.186 176.117 0.102 0.000 1.023 459 I CA -0.732 60.586 61.300 0.029 0.000 1.100 459 I CB 1.677 39.635 38.000 -0.069 0.000 1.238 459 I HN 0.983 nan 8.210 nan 0.000 0.445 460 G N 5.789 114.700 108.800 0.186 0.000 2.353 460 G HA2 0.520 4.469 3.960 -0.017 0.000 0.284 460 G HA3 0.520 4.469 3.960 -0.017 0.000 0.284 460 G C -0.660 174.324 174.900 0.141 0.000 1.172 460 G CA -0.226 44.928 45.100 0.090 0.000 0.854 460 G HN 0.327 nan 8.290 nan 0.000 0.485 461 V N 3.938 123.869 119.914 0.028 0.000 2.326 461 V HA 0.319 4.429 4.120 -0.017 0.000 0.281 461 V C -0.170 176.104 176.094 0.300 0.000 1.015 461 V CA -0.688 61.713 62.300 0.168 0.000 0.823 461 V CB 1.039 32.948 31.823 0.144 0.000 1.009 461 V HN 0.705 nan 8.190 nan 0.000 0.436 462 L N 4.520 125.992 121.223 0.415 0.000 2.282 462 L HA 0.763 5.093 4.340 -0.017 0.000 0.288 462 L C -0.628 176.401 176.870 0.266 0.000 1.033 462 L CA 0.344 55.459 54.840 0.458 0.000 0.807 462 L CB 1.455 43.722 42.059 0.348 0.000 1.209 462 L HN 0.645 nan 8.230 nan 0.000 0.423 463 D N 6.366 126.919 120.400 0.254 0.000 2.549 463 D HA 0.563 5.193 4.640 -0.017 0.000 0.251 463 D C -0.997 175.399 176.300 0.160 0.000 1.153 463 D CA -0.099 54.002 54.000 0.170 0.000 0.861 463 D CB 1.056 41.938 40.800 0.136 0.000 1.207 463 D HN 0.615 nan 8.370 nan 0.000 0.543 464 I N 0.935 121.576 120.570 0.118 0.000 3.181 464 I HA 0.519 4.679 4.170 -0.017 0.000 0.311 464 I C -0.216 175.949 176.117 0.080 0.000 1.287 464 I CA -1.333 60.030 61.300 0.105 0.000 0.958 464 I CB 1.907 39.958 38.000 0.086 0.000 1.294 464 I HN 0.427 nan 8.210 nan 0.000 0.467 465 A N 1.015 123.881 122.820 0.077 0.000 2.304 465 A HA 0.783 5.092 4.320 -0.017 0.000 0.271 465 A C 0.080 177.712 177.584 0.080 0.000 1.091 465 A CA -0.012 52.068 52.037 0.071 0.000 0.812 465 A CB 0.584 19.626 19.000 0.069 0.000 1.056 465 A HN 0.863 nan 8.150 nan 0.000 0.489 466 G N -1.007 107.840 108.800 0.078 0.000 2.441 466 G HA2 0.487 4.437 3.960 -0.017 0.000 0.334 466 G HA3 0.487 4.437 3.960 -0.017 0.000 0.334 466 G C -0.529 174.437 174.900 0.110 0.000 1.161 466 G CA -0.716 44.450 45.100 0.110 0.000 0.935 466 G HN 0.624 nan 8.290 nan 0.000 0.488 467 F N 0.965 120.897 119.950 -0.030 0.000 2.473 467 F HA 0.045 4.562 4.527 -0.017 0.000 0.405 467 F C 0.792 176.483 175.800 -0.181 0.000 0.988 467 F CA 0.737 58.666 58.000 -0.118 0.000 1.096 467 F CB 0.187 39.101 39.000 -0.143 0.000 0.944 467 F HN 0.314 nan 8.300 nan 0.000 0.530 468 E N 6.320 126.346 120.200 -0.291 0.000 2.222 468 E HA 0.468 4.808 4.350 -0.017 0.000 0.267 468 E C -0.888 175.189 176.600 -0.871 0.000 0.884 468 E CA -0.940 55.159 56.400 -0.502 0.000 0.764 468 E CB 2.083 31.466 29.700 -0.528 0.000 1.169 468 E HN 0.466 nan 8.360 nan 0.000 0.413 469 I N 3.405 123.510 120.570 -0.775 0.000 2.378 469 I HA 0.382 4.542 4.170 -0.017 0.000 0.291 469 I C -0.917 174.780 176.117 -0.700 0.000 0.992 469 I CA -0.527 60.389 61.300 -0.639 0.000 1.154 469 I CB 0.682 38.553 38.000 -0.215 0.000 1.315 469 I HN 0.343 nan 8.210 nan 0.000 0.448 470 F N 2.745 122.634 119.950 -0.102 0.000 2.593 470 F HA 0.328 4.845 4.527 -0.018 0.000 0.320 470 F C 1.341 177.121 175.800 -0.033 0.000 1.060 470 F CA -1.018 56.957 58.000 -0.041 0.000 0.940 470 F CB 0.830 39.835 39.000 0.008 0.000 1.268 470 F HN 0.476 nan 8.300 nan 0.000 0.475 471 D N 0.238 120.782 120.400 0.240 0.000 2.218 471 D HA -0.194 4.436 4.640 -0.017 0.000 0.204 471 D C 0.143 176.562 176.300 0.197 0.000 0.976 471 D CA 1.410 55.500 54.000 0.150 0.000 0.853 471 D CB -0.013 40.867 40.800 0.133 0.000 0.939 471 D HN 0.219 nan 8.370 nan 0.000 0.481 472 F N 2.113 122.125 119.950 0.104 0.000 2.382 472 F HA 0.309 4.825 4.527 -0.018 0.000 0.361 472 F C -0.731 175.149 175.800 0.135 0.000 1.109 472 F CA -1.071 56.980 58.000 0.085 0.000 1.031 472 F CB 0.718 39.749 39.000 0.051 0.000 1.234 472 F HN -0.327 nan 8.300 nan 0.000 0.445 473 N N 4.755 123.231 118.700 -0.374 0.000 2.446 473 N HA 0.227 4.956 4.740 -0.017 0.000 0.265 473 N C -0.810 174.597 175.510 -0.171 0.000 0.975 473 N CA -0.249 52.676 53.050 -0.208 0.000 0.928 473 N CB 2.040 40.302 38.487 -0.375 0.000 1.160 473 N HN 0.469 nan 8.380 nan 0.000 0.495 474 S N 0.690 116.405 115.700 0.025 0.000 2.776 474 S HA 0.351 4.811 4.470 -0.017 0.000 0.306 474 S C 1.080 175.801 174.600 0.203 0.000 1.114 474 S CA -0.592 57.778 58.200 0.284 0.000 0.973 474 S CB 0.533 63.926 63.200 0.321 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 -0.523 0.000 2.085 475 F HA -0.213 4.304 4.527 -0.016 0.000 0.299 475 F C 1.859 177.370 175.800 -0.482 0.000 1.096 475 F CA 2.778 60.045 58.000 -1.221 0.000 1.227 475 F CB -0.798 37.326 39.000 -1.460 0.000 0.983 475 F HN 0.678 nan 8.300 nan 0.000 0.482 476 E N 0.022 120.003 120.200 -0.365 0.000 2.118 476 E HA -0.254 4.085 4.350 -0.017 0.000 0.195 476 E C 2.012 178.471 176.600 -0.235 0.000 0.992 476 E CA 1.642 57.813 56.400 -0.381 0.000 0.804 476 E CB -0.515 29.096 29.700 -0.149 0.000 0.741 476 E HN 0.514 nan 8.360 nan 0.000 0.458 477 Q N 0.042 119.812 119.800 -0.051 0.000 2.079 477 Q HA -0.068 4.261 4.340 -0.017 0.000 0.200 477 Q C 2.076 178.122 176.000 0.076 0.000 0.974 477 Q CA 0.829 56.663 55.803 0.052 0.000 0.840 477 Q CB -0.298 28.528 28.738 0.147 0.000 0.898 477 Q HN 0.274 nan 8.270 nan 0.000 0.430 478 L N 0.003 121.287 121.223 0.101 0.000 1.989 478 L HA -0.228 4.101 4.340 -0.017 0.000 0.211 478 L C 1.924 178.850 176.870 0.093 0.000 1.071 478 L CA 1.890 56.730 54.840 0.000 0.000 0.749 478 L CB -0.871 41.053 42.059 -0.224 0.000 0.890 478 L HN 0.342 nan 8.230 nan 0.000 0.431 479 C N -0.571 118.669 119.300 -0.100 0.000 2.401 479 C HA -0.169 4.281 4.460 -0.017 0.000 0.276 479 C C 2.678 177.769 174.990 0.167 0.000 1.233 479 C CA 0.975 59.968 59.018 -0.043 0.000 1.753 479 C CB -1.214 25.967 27.740 -0.931 0.000 2.029 479 C HN 0.641 nan 8.230 nan 0.000 0.478 480 I N 1.428 122.001 120.570 0.006 0.000 2.233 480 I HA -0.150 4.010 4.170 -0.017 0.000 0.243 480 I C 2.288 178.470 176.117 0.107 0.000 1.093 480 I CA 1.546 62.884 61.300 0.063 0.000 1.380 480 I CB -0.460 37.539 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 -0.268 4.462 4.740 -0.017 0.000 0.190 481 N C 1.944 177.650 175.510 0.327 0.000 1.024 481 N CA 1.346 54.352 53.050 -0.073 0.000 0.853 481 N CB -0.330 37.872 38.487 -0.474 0.000 1.008 481 N HN 0.239 nan 8.380 nan 0.000 0.424 482 F N 2.504 122.603 119.950 0.247 0.000 2.161 482 F HA -0.151 4.365 4.527 -0.017 0.000 0.300 482 F C 2.253 178.217 175.800 0.273 0.000 1.089 482 F CA 1.241 59.428 58.000 0.313 0.000 1.282 482 F CB -0.832 38.379 39.000 0.351 0.000 1.010 482 F HN -0.082 nan 8.300 nan 0.000 0.485 483 T N 0.650 115.289 114.554 0.142 0.000 2.708 483 T HA -0.187 4.153 4.350 -0.017 0.000 0.266 483 T C 1.864 176.565 174.700 0.002 0.000 1.037 483 T CA 1.550 63.612 62.100 -0.062 0.000 1.146 483 T CB -0.393 68.520 68.868 0.075 0.000 0.865 483 T HN 0.291 nan 8.240 nan 0.000 0.435 484 N N 0.842 119.641 118.700 0.165 0.000 2.142 484 N HA -0.017 4.713 4.740 -0.017 0.000 0.186 484 N C 1.152 176.895 175.510 0.387 0.000 1.023 484 N CA 0.626 53.839 53.050 0.271 0.000 0.852 484 N CB -0.180 38.524 38.487 0.362 0.000 0.998 484 N HN 0.565 nan 8.380 nan 0.000 0.424 488 Q N 0.835 120.752 119.800 0.193 0.000 2.030 488 Q HA -0.230 4.099 4.340 -0.017 0.000 0.204 488 Q C 2.051 178.151 176.000 0.167 0.000 0.986 488 Q CA 2.667 58.490 55.803 0.033 0.000 0.843 488 Q CB -0.229 28.287 28.738 -0.369 0.000 0.904 488 Q HN 0.499 nan 8.270 nan 0.000 0.420 489 Q N -1.373 118.539 119.800 0.187 0.000 2.234 489 Q HA -0.179 4.151 4.340 -0.017 0.000 0.206 489 Q C 1.751 177.927 176.000 0.293 0.000 0.980 489 Q CA 1.348 57.279 55.803 0.212 0.000 0.869 489 Q CB -0.266 28.581 28.738 0.183 0.000 0.912 489 Q HN 0.476 nan 8.270 nan 0.000 0.436 490 F N 0.204 120.262 119.950 0.181 0.000 2.186 490 F HA -0.154 4.363 4.527 -0.017 0.000 0.299 490 F C 1.565 177.581 175.800 0.360 0.000 1.090 490 F CA 1.084 59.211 58.000 0.212 0.000 1.307 490 F CB -0.469 38.651 39.000 0.201 0.000 1.019 490 F HN 0.192 nan 8.300 nan 0.000 0.489 491 F N 1.327 121.320 119.950 0.071 0.000 2.074 491 F HA -0.092 4.425 4.527 -0.018 0.000 0.290 491 F C 2.128 177.918 175.800 -0.017 0.000 1.118 491 F CA 1.858 59.785 58.000 -0.121 0.000 1.199 491 F CB -1.071 37.697 39.000 -0.387 0.000 1.012 491 F HN -0.141 nan 8.300 nan 0.000 0.472 492 N N -0.360 118.406 118.700 0.111 0.000 2.242 492 N HA -0.295 4.434 4.740 -0.017 0.000 0.191 492 N C 1.640 177.253 175.510 0.172 0.000 1.005 492 N CA 1.847 54.950 53.050 0.087 0.000 0.877 492 N CB -0.662 37.960 38.487 0.225 0.000 0.983 492 N HN 0.630 nan 8.380 nan 0.000 0.439 493 H N -1.260 117.839 119.070 0.048 0.000 2.329 493 H HA -0.005 4.541 4.556 -0.017 0.000 0.306 493 H C 2.107 177.492 175.328 0.095 0.000 1.062 493 H CA 1.535 57.628 56.048 0.074 0.000 1.364 493 H CB -0.224 29.563 29.762 0.041 0.000 1.409 493 H HN 0.331 nan 8.280 nan 0.000 0.519 494 H N -0.338 118.742 119.070 0.016 0.000 2.426 494 H HA -0.146 4.400 4.556 -0.017 0.000 0.298 494 H C 2.196 177.409 175.328 -0.192 0.000 1.107 494 H CA 2.057 58.038 56.048 -0.112 0.000 1.298 494 H CB -0.155 29.459 29.762 -0.245 0.000 1.377 494 H HN 0.378 nan 8.280 nan 0.000 0.519 495 M N -1.176 118.247 119.600 -0.294 0.000 2.288 495 M HA -0.057 4.412 4.480 -0.017 0.000 0.266 495 M C 1.689 177.981 176.300 -0.014 0.000 1.072 495 M CA 1.031 56.120 55.300 -0.353 0.000 1.132 495 M CB -0.083 32.162 32.600 -0.591 0.000 1.386 495 M HN 0.436 nan 8.290 nan 0.000 0.432 496 F N 0.167 120.138 119.950 0.035 0.000 2.163 496 F HA -0.116 4.401 4.527 -0.017 0.000 0.297 496 F C 1.738 177.494 175.800 -0.072 0.000 1.094 496 F CA 1.141 59.260 58.000 0.199 0.000 1.290 496 F CB -0.378 38.578 39.000 -0.073 0.000 1.017 496 F HN -0.193 nan 8.300 nan 0.000 0.483 497 V N 0.736 120.571 119.914 -0.131 0.000 2.261 497 V HA -0.296 3.814 4.120 -0.017 0.000 0.246 497 V C 2.418 178.297 176.094 -0.358 0.000 1.047 497 V CA 1.969 64.075 62.300 -0.322 0.000 1.015 497 V CB -0.866 30.842 31.823 -0.191 0.000 0.642 497 V HN 0.407 nan 8.190 nan 0.000 0.446 498 L N -0.271 120.726 121.223 -0.376 0.000 1.989 498 L HA -0.177 4.153 4.340 -0.017 0.000 0.211 498 L C 2.635 179.291 176.870 -0.357 0.000 1.071 498 L CA 1.971 56.570 54.840 -0.402 0.000 0.749 498 L CB -0.689 41.060 42.059 -0.517 0.000 0.890 498 L HN 0.274 nan 8.230 nan 0.000 0.431 499 E N -0.401 119.611 120.200 -0.314 0.000 2.048 499 E HA -0.354 3.986 4.350 -0.017 0.000 0.202 499 E C 2.078 178.424 176.600 -0.424 0.000 1.021 499 E CA 1.833 57.998 56.400 -0.393 0.000 0.825 499 E CB -0.513 29.100 29.700 -0.145 0.000 0.756 499 E HN 0.643 nan 8.360 nan 0.000 0.454 500 Q N 0.462 120.194 119.800 -0.113 0.000 2.376 500 Q HA -0.219 4.111 4.340 -0.017 0.000 0.211 500 Q C 1.807 177.694 176.000 -0.189 0.000 0.986 500 Q CA 1.588 57.325 55.803 -0.109 0.000 0.886 500 Q CB -0.030 28.383 28.738 -0.543 0.000 0.927 500 Q HN 0.299 nan 8.270 nan 0.000 0.457 501 E N -0.214 119.835 120.200 -0.252 0.000 2.076 501 E HA -0.182 4.157 4.350 -0.017 0.000 0.190 501 E C 1.698 178.192 176.600 -0.177 0.000 0.979 501 E CA 0.897 57.181 56.400 -0.194 0.000 0.807 501 E CB 0.169 29.752 29.700 -0.194 0.000 0.761 501 E HN 0.311 nan 8.360 nan 0.000 0.454 502 E N -0.169 119.853 120.200 -0.298 0.000 2.012 502 E HA -0.147 4.192 4.350 -0.017 0.000 0.197 502 E C 0.066 176.585 176.600 -0.136 0.000 1.007 502 E CA 0.998 57.219 56.400 -0.298 0.000 0.816 502 E CB -0.264 29.110 29.700 -0.542 0.000 0.762 502 E HN 0.106 nan 8.360 nan 0.000 0.451 507 G N 1.227 110.043 108.800 0.028 0.000 2.148 507 G HA2 -0.159 3.791 3.960 -0.017 0.000 0.157 507 G HA3 -0.159 3.791 3.960 -0.017 0.000 0.157 507 G C 0.187 175.102 174.900 0.024 0.000 1.012 507 G CA 0.065 45.178 45.100 0.020 0.000 0.677 507 G HN 0.146 nan 8.290 nan 0.000 0.506 508 I N 0.255 120.852 120.570 0.046 0.000 2.945 508 I HA 0.342 4.501 4.170 -0.017 0.000 0.292 508 I C 0.786 176.957 176.117 0.090 0.000 1.093 508 I CA -0.155 61.167 61.300 0.037 0.000 1.336 508 I CB 0.967 38.951 38.000 -0.027 0.000 1.435 508 I HN 0.051 nan 8.210 nan 0.000 0.593 509 E N 4.390 124.653 120.200 0.105 0.000 2.267 509 E HA 0.182 4.522 4.350 -0.017 0.000 0.241 509 E C -1.593 175.165 176.600 0.263 0.000 0.950 509 E CA -0.315 56.167 56.400 0.137 0.000 0.776 509 E CB 0.766 30.522 29.700 0.094 0.000 1.207 509 E HN 0.456 nan 8.360 nan 0.000 0.436 510 W N 3.418 124.691 121.300 -0.044 0.000 2.619 510 W HA 0.306 4.956 4.660 -0.017 0.000 0.327 510 W C -0.851 175.789 176.519 0.201 0.000 1.027 510 W CA -0.644 56.689 57.345 -0.020 0.000 1.233 510 W CB 1.473 30.729 29.460 -0.340 0.000 1.370 510 W HN 0.343 nan 8.180 nan 0.000 0.453 511 E N 4.606 124.597 120.200 -0.348 0.000 2.179 511 E HA 0.501 4.840 4.350 -0.017 0.000 0.275 511 E C -1.065 175.368 176.600 -0.278 0.000 0.945 511 E CA -0.595 55.647 56.400 -0.263 0.000 0.792 511 E CB 1.970 31.537 29.700 -0.223 0.000 1.125 511 E HN 0.288 nan 8.360 nan 0.000 0.397 512 F N -0.144 119.612 119.950 -0.324 0.000 2.688 512 F HA 0.509 5.025 4.527 -0.017 0.000 0.308 512 F C -1.339 174.438 175.800 -0.039 0.000 1.117 512 F CA -1.232 56.620 58.000 -0.247 0.000 0.976 512 F CB 0.481 39.340 39.000 -0.236 0.000 1.291 512 F HN 0.313 nan 8.300 nan 0.000 0.439 513 I N 2.488 123.033 120.570 -0.042 0.000 2.638 513 I HA 0.095 4.255 4.170 -0.017 0.000 0.286 513 I C 0.493 176.334 176.117 -0.461 0.000 1.088 513 I CA -0.059 61.141 61.300 -0.167 0.000 1.397 513 I CB 0.440 38.357 38.000 -0.137 0.000 1.414 513 I HN 0.704 nan 8.210 nan 0.000 0.566 514 D N 4.589 124.331 120.400 -1.097 0.000 2.571 514 D HA -0.143 4.487 4.640 -0.017 0.000 0.231 514 D C 0.553 176.360 176.300 -0.821 0.000 1.133 514 D CA 0.712 53.598 54.000 -1.857 0.000 0.862 514 D CB 0.541 40.603 40.800 -1.230 0.000 1.179 514 D HN 0.264 nan 8.370 nan 0.000 0.474 515 F N 1.712 121.531 119.950 -0.218 0.000 2.710 515 F HA 0.154 4.671 4.527 -0.018 0.000 0.298 515 F C 2.387 178.177 175.800 -0.016 0.000 1.137 515 F CA 0.271 58.266 58.000 -0.009 0.000 1.444 515 F CB -0.219 38.828 39.000 0.077 0.000 1.111 515 F HN 0.495 nan 8.300 nan 0.000 0.580 516 G N 0.302 109.152 108.800 0.083 0.000 2.421 516 G HA2 -0.327 3.622 3.960 -0.017 0.000 0.216 516 G HA3 -0.327 3.622 3.960 -0.017 0.000 0.216 516 G C 1.729 176.675 174.900 0.077 0.000 1.171 516 G CA 0.854 46.022 45.100 0.114 0.000 0.775 516 G HN 0.327 nan 8.290 nan 0.000 0.543 517 M N 0.622 120.224 119.600 0.004 0.000 2.201 517 M HA -0.222 4.248 4.480 -0.017 0.000 0.251 517 M C 1.804 178.132 176.300 0.047 0.000 1.090 517 M CA 2.218 57.518 55.300 -0.000 0.000 1.063 517 M CB -0.274 32.288 32.600 -0.064 0.000 1.360 517 M HN 0.146 nan 8.290 nan 0.000 0.401 518 D N -0.154 120.292 120.400 0.077 0.000 2.218 518 D HA -0.104 4.526 4.640 -0.017 0.000 0.204 518 D C 1.621 177.989 176.300 0.114 0.000 0.976 518 D CA 1.320 55.379 54.000 0.099 0.000 0.853 518 D CB 0.012 40.888 40.800 0.128 0.000 0.939 518 D HN 0.399 nan 8.370 nan 0.000 0.481 519 L N 0.173 121.472 121.223 0.128 0.000 2.477 519 L HA 0.162 4.492 4.340 -0.017 0.000 0.220 519 L C 2.325 179.280 176.870 0.142 0.000 1.106 519 L CA 0.264 55.199 54.840 0.159 0.000 0.851 519 L CB -0.404 41.774 42.059 0.199 0.000 0.994 519 L HN -0.146 nan 8.230 nan 0.000 0.462 520 A N 0.517 123.403 122.820 0.110 0.000 1.997 520 A HA -0.249 4.061 4.320 -0.017 0.000 0.221 520 A C 2.568 180.209 177.584 0.094 0.000 1.172 520 A CA 1.939 54.035 52.037 0.098 0.000 0.645 520 A CB -0.750 18.291 19.000 0.068 0.000 0.813 520 A HN 0.386 nan 8.150 nan 0.000 0.454 521 A N -1.053 121.819 122.820 0.087 0.000 1.851 521 A HA -0.265 4.044 4.320 -0.017 0.000 0.216 521 A C 2.468 180.098 177.584 0.076 0.000 1.195 521 A CA 1.845 53.927 52.037 0.075 0.000 0.622 521 A CB -1.512 17.532 19.000 0.073 0.000 0.831 521 A HN 0.853 nan 8.150 nan 0.000 0.444 522 C N -0.613 118.743 119.300 0.093 0.000 2.432 522 C HA -0.078 4.372 4.460 -0.017 0.000 0.277 522 C C 2.611 177.664 174.990 0.106 0.000 1.249 522 C CA 1.072 60.136 59.018 0.076 0.000 1.725 522 C CB -1.552 26.224 27.740 0.059 0.000 2.028 522 C HN 0.581 nan 8.230 nan 0.000 0.477 523 I N 1.483 122.162 120.570 0.182 0.000 2.127 523 I HA -0.226 3.933 4.170 -0.017 0.000 0.241 523 I C 2.608 178.825 176.117 0.167 0.000 1.075 523 I CA 2.138 63.596 61.300 0.263 0.000 1.334 523 I CB -0.643 37.522 38.000 0.275 0.000 1.040 523 I HN 0.465 nan 8.210 nan 0.000 0.405 524 E N 0.692 120.957 120.200 0.109 0.000 2.097 524 E HA -0.299 4.040 4.350 -0.017 0.000 0.196 524 E C 2.229 178.837 176.600 0.014 0.000 1.000 524 E CA 1.405 57.847 56.400 0.070 0.000 0.804 524 E CB -0.718 29.018 29.700 0.060 0.000 0.740 524 E HN 0.414 nan 8.360 nan 0.000 0.454 525 L N 1.027 122.233 121.223 -0.028 0.000 2.127 525 L HA -0.133 4.197 4.340 -0.017 0.000 0.211 525 L C 2.196 178.925 176.870 -0.234 0.000 1.089 525 L CA 1.369 56.123 54.840 -0.144 0.000 0.757 525 L CB -0.104 41.871 42.059 -0.140 0.000 0.899 525 L HN 0.077 nan 8.230 nan 0.000 0.434 526 I N -1.145 119.297 120.570 -0.213 0.000 2.385 526 I HA -0.057 4.103 4.170 -0.017 0.000 0.244 526 I C 1.349 177.283 176.117 -0.305 0.000 1.089 526 I CA 0.423 61.471 61.300 -0.420 0.000 1.410 526 I CB -0.220 37.395 38.000 -0.641 0.000 1.117 526 I HN 0.325 nan 8.210 nan 0.000 0.429 530 M N 0.986 120.621 119.600 0.058 0.000 2.453 530 M HA 0.325 4.795 4.480 -0.017 0.000 0.239 530 M C 0.746 177.137 176.300 0.152 0.000 1.151 530 M CA 0.411 55.739 55.300 0.046 0.000 0.989 530 M CB 0.114 32.691 32.600 -0.039 0.000 1.548 530 M HN 0.112 nan 8.290 nan 0.000 0.479 531 G N 0.309 109.189 108.800 0.135 0.000 2.572 531 G HA2 0.360 4.310 3.960 -0.017 0.000 0.261 531 G HA3 0.360 4.310 3.960 -0.017 0.000 0.261 531 G C 1.203 176.102 174.900 -0.003 0.000 1.197 531 G CA -0.690 44.438 45.100 0.046 0.000 0.870 531 G HN 0.237 nan 8.290 nan 0.000 0.548 532 I N -0.145 120.304 120.570 -0.202 0.000 2.203 532 I HA -0.356 3.803 4.170 -0.017 0.000 0.237 532 I C 2.481 178.635 176.117 0.061 0.000 0.993 532 I CA 1.930 63.122 61.300 -0.180 0.000 1.277 532 I CB -0.722 37.045 38.000 -0.388 0.000 0.984 532 I HN 0.349 nan 8.210 nan 0.000 0.402 533 F N 1.083 121.065 119.950 0.053 0.000 2.065 533 F HA -0.244 4.272 4.527 -0.018 0.000 0.298 533 F C 3.052 178.914 175.800 0.103 0.000 1.112 533 F CA 1.832 59.888 58.000 0.093 0.000 1.212 533 F CB -1.388 37.638 39.000 0.042 0.000 0.975 533 F HN 0.031 nan 8.300 nan 0.000 0.476 534 S N 0.272 116.132 115.700 0.267 0.000 2.365 534 S HA -0.214 4.245 4.470 -0.017 0.000 0.221 534 S C 2.226 176.932 174.600 0.177 0.000 1.037 534 S CA 1.661 59.972 58.200 0.185 0.000 1.060 534 S CB -0.644 62.636 63.200 0.133 0.000 0.974 534 S HN 0.279 nan 8.310 nan 0.000 0.427 535 I N 1.056 121.731 120.570 0.175 0.000 2.300 535 I HA -0.217 3.942 4.170 -0.017 0.000 0.252 535 I C 2.217 178.502 176.117 0.280 0.000 1.119 535 I CA 0.806 62.223 61.300 0.194 0.000 1.384 535 I CB -0.287 37.803 38.000 0.150 0.000 1.062 535 I HN 0.306 nan 8.210 nan 0.000 0.426 536 L N 1.095 122.507 121.223 0.315 0.000 2.044 536 L HA -0.181 4.149 4.340 -0.017 0.000 0.205 536 L C 2.386 179.264 176.870 0.012 0.000 1.075 536 L CA 1.842 56.733 54.840 0.085 0.000 0.747 536 L CB -0.688 41.510 42.059 0.231 0.000 0.903 536 L HN 0.338 nan 8.230 nan 0.000 0.435 537 E N -1.504 118.767 120.200 0.118 0.000 2.502 537 E HA -0.125 4.215 4.350 -0.017 0.000 0.194 537 E C 1.518 178.178 176.600 0.100 0.000 1.062 537 E CA 0.351 56.805 56.400 0.089 0.000 0.867 537 E CB -0.044 29.717 29.700 0.102 0.000 0.888 537 E HN 0.643 nan 8.360 nan 0.000 0.510 538 E N 1.443 121.717 120.200 0.124 0.000 2.065 538 E HA -0.129 4.210 4.350 -0.017 0.000 0.191 538 E C 1.648 178.395 176.600 0.245 0.000 0.960 538 E CA 0.286 56.791 56.400 0.175 0.000 0.824 538 E CB 0.203 30.009 29.700 0.177 0.000 0.793 538 E HN 0.025 nan 8.360 nan 0.000 0.459 539 E N 0.235 120.534 120.200 0.166 0.000 2.233 539 E HA -0.208 4.131 4.350 -0.017 0.000 0.199 539 E C 1.670 178.373 176.600 0.172 0.000 1.004 539 E CA 0.915 57.399 56.400 0.139 0.000 0.819 539 E CB -0.267 29.445 29.700 0.020 0.000 0.738 539 E HN 0.243 nan 8.360 nan 0.000 0.478 540 C N -0.508 118.847 119.300 0.091 0.000 2.466 540 C HA 0.038 4.487 4.460 -0.017 0.000 0.283 540 C C 2.171 177.218 174.990 0.095 0.000 1.472 540 C CA 0.434 59.486 59.018 0.055 0.000 1.765 540 C CB -0.894 26.854 27.740 0.013 0.000 1.724 540 C HN 0.491 nan 8.230 nan 0.000 0.560 541 M N -1.681 118.014 119.600 0.158 0.000 2.465 541 M HA 0.211 4.681 4.480 -0.017 0.000 0.249 541 M C -0.286 176.008 176.300 -0.010 0.000 1.130 541 M CA 0.415 55.754 55.300 0.065 0.000 1.067 541 M CB 0.225 32.843 32.600 0.030 0.000 1.394 541 M HN 0.119 nan 8.290 nan 0.000 0.483 542 F N 1.542 121.499 119.950 0.012 0.000 2.404 542 F HA 0.233 4.762 4.527 0.004 0.000 0.359 542 F C -1.478 174.328 175.800 0.011 0.000 1.134 542 F CA -2.254 55.754 58.000 0.014 0.000 1.160 542 F CB 0.240 39.252 39.000 0.020 0.000 1.186 542 F HN -0.020 nan 8.300 nan 0.000 0.526 543 P HA -0.186 nan 4.420 nan 0.000 0.224 543 P C 0.251 177.601 177.300 0.084 0.000 1.142 543 P CA 1.378 64.515 63.100 0.061 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 0.129 0.000 3.012 544 K HA 0.435 4.745 4.320 -0.017 0.000 0.207 544 K C -0.240 176.427 176.600 0.111 0.000 1.130 544 K CA -0.337 56.012 56.287 0.103 0.000 1.021 544 K CB 1.142 33.696 32.500 0.090 0.000 0.736 544 K HN -0.010 nan 8.250 nan 0.000 0.448 545 A N 0.403 123.296 122.820 0.121 0.000 2.264 545 A HA 0.681 4.991 4.320 -0.017 0.000 0.304 545 A C 0.025 177.643 177.584 0.057 0.000 1.100 545 A CA -0.060 52.025 52.037 0.081 0.000 0.839 545 A CB 0.848 19.899 19.000 0.084 0.000 1.121 545 A HN 0.127 nan 8.150 nan 0.000 0.496 546 T N -0.158 114.427 114.554 0.051 0.000 2.916 546 T HA 0.340 4.680 4.350 -0.017 0.000 0.292 546 T C 0.166 174.916 174.700 0.083 0.000 1.064 546 T CA -0.386 61.747 62.100 0.055 0.000 1.011 546 T CB 1.477 70.375 68.868 0.051 0.000 1.152 546 T HN 0.583 nan 8.240 nan 0.000 0.510 547 D N 0.974 121.421 120.400 0.078 0.000 2.104 547 D HA -0.087 4.542 4.640 -0.017 0.000 0.194 547 D C 2.091 178.461 176.300 0.117 0.000 0.994 547 D CA 1.514 55.584 54.000 0.116 0.000 0.830 547 D CB -0.312 40.513 40.800 0.040 0.000 0.959 547 D HN 0.466 nan 8.370 nan 0.000 0.452 548 T N 0.117 114.711 114.554 0.066 0.000 2.720 548 T HA -0.184 4.155 4.350 -0.017 0.000 0.268 548 T C 2.075 176.802 174.700 0.044 0.000 1.037 548 T CA 1.821 63.952 62.100 0.053 0.000 1.144 548 T CB -0.309 68.594 68.868 0.058 0.000 0.864 548 T HN 0.241 nan 8.240 nan 0.000 0.444 549 S N 1.322 117.056 115.700 0.056 0.000 2.354 549 S HA -0.117 4.343 4.470 -0.017 0.000 0.219 549 S C 1.051 175.679 174.600 0.045 0.000 1.035 549 S CA 0.477 58.696 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 0.940 121.149 120.300 -0.152 0.000 2.114 555 Y HA -0.092 4.448 4.550 -0.017 0.000 0.284 555 Y C 2.207 178.035 175.900 -0.119 0.000 1.119 555 Y CA 1.713 59.786 58.100 -0.045 0.000 1.108 555 Y CB -0.674 37.813 38.460 0.046 0.000 0.995 555 Y HN 0.144 nan 8.280 nan 0.000 0.491 556 D N -0.143 120.309 120.400 0.086 0.000 2.244 556 D HA -0.246 4.383 4.640 -0.017 0.000 0.197 556 D C 1.948 178.186 176.300 -0.103 0.000 1.006 556 D CA 1.976 55.968 54.000 -0.012 0.000 0.888 556 D CB -0.141 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 -0.212 0.000 2.307 557 E HA -0.041 4.298 4.350 -0.017 0.000 0.195 557 E C 1.521 177.767 176.600 -0.590 0.000 0.975 557 E CA 0.733 56.896 56.400 -0.394 0.000 0.878 557 E CB 0.229 29.632 29.700 -0.495 0.000 0.845 557 E HN 0.323 nan 8.360 nan 0.000 0.488 558 H N -0.713 118.118 119.070 -0.399 0.000 2.788 558 H HA 0.225 4.770 4.556 -0.018 0.000 0.262 558 H C 0.235 175.405 175.328 -0.265 0.000 0.968 558 H CA -0.164 55.553 56.048 -0.552 0.000 1.218 558 H CB 0.265 29.254 29.762 -1.288 0.000 1.443 558 H HN 0.143 nan 8.280 nan 0.000 0.478 559 L N 1.241 122.496 121.223 0.054 0.000 2.499 559 L HA 0.162 4.492 4.340 -0.017 0.000 0.273 559 L C 1.305 178.270 176.870 0.158 0.000 1.195 559 L CA 1.118 56.157 54.840 0.332 0.000 0.882 559 L CB 0.341 42.652 42.059 0.419 0.000 1.133 559 L HN 0.570 nan 8.230 nan 0.000 0.483 560 G N 3.022 111.926 108.800 0.173 0.000 2.347 560 G HA2 -0.331 3.618 3.960 -0.017 0.000 0.247 560 G HA3 -0.331 3.618 3.960 -0.017 0.000 0.247 560 G C 1.217 176.163 174.900 0.077 0.000 1.037 560 G CA 0.547 45.705 45.100 0.097 0.000 0.622 560 G HN 0.646 nan 8.290 nan 0.000 0.521 561 K N 0.137 120.578 120.400 0.069 0.000 2.323 561 K HA 0.303 4.613 4.320 -0.017 0.000 0.197 561 K C 0.421 177.063 176.600 0.071 0.000 1.043 561 K CA 0.666 56.978 56.287 0.041 0.000 0.997 561 K CB 0.209 32.703 32.500 -0.011 0.000 0.807 561 K HN 0.313 nan 8.250 nan 0.000 0.497 562 S N 0.049 115.823 115.700 0.124 0.000 2.532 562 S HA 0.214 4.673 4.470 -0.017 0.000 0.299 562 S C 0.224 174.935 174.600 0.186 0.000 1.105 562 S CA -0.643 57.647 58.200 0.150 0.000 1.018 562 S CB 1.773 65.070 63.200 0.160 0.000 1.021 562 S HN 0.232 nan 8.310 nan 0.000 0.483 563 N N 2.744 121.525 118.700 0.134 0.000 2.250 563 N HA -0.034 4.696 4.740 -0.017 0.000 0.181 563 N C 1.026 176.611 175.510 0.124 0.000 1.017 563 N CA 0.746 53.865 53.050 0.116 0.000 0.866 563 N CB 0.009 38.546 38.487 0.084 0.000 0.985 563 N HN 0.545 nan 8.380 nan 0.000 0.429 564 N N -0.855 117.923 118.700 0.130 0.000 2.494 564 N HA -0.024 4.706 4.740 -0.017 0.000 0.182 564 N C -0.624 174.978 175.510 0.153 0.000 1.076 564 N CA 0.171 53.290 53.050 0.114 0.000 0.908 564 N CB 0.165 38.701 38.487 0.082 0.000 0.967 564 N HN 0.140 nan 8.380 nan 0.000 0.449 565 F N 1.656 121.628 119.950 0.036 0.000 2.404 565 F HA 0.359 4.876 4.527 -0.017 0.000 0.345 565 F C -0.133 175.729 175.800 0.104 0.000 1.110 565 F CA -0.253 57.781 58.000 0.056 0.000 1.130 565 F CB 0.635 39.645 39.000 0.016 0.000 1.129 565 F HN -0.119 nan 8.300 nan 0.000 0.500 566 Q N 4.179 123.718 119.800 -0.436 0.000 2.482 566 Q HA 0.268 4.598 4.340 -0.017 0.000 0.286 566 Q C -1.440 174.425 176.000 -0.225 0.000 1.007 566 Q CA -1.301 54.388 55.803 -0.189 0.000 0.801 566 Q CB 2.993 31.696 28.738 -0.058 0.000 1.455 566 Q HN 0.640 nan 8.270 nan 0.000 0.398 567 K N 0.563 120.932 120.400 -0.052 0.000 2.172 567 K HA 0.575 4.885 4.320 -0.017 0.000 0.276 567 K C -2.543 174.056 176.600 -0.002 0.000 1.013 567 K CA -1.688 54.616 56.287 0.029 0.000 0.913 567 K CB 0.770 33.285 32.500 0.024 0.000 1.055 567 K HN 0.114 nan 8.250 nan 0.000 0.461 568 P HA -0.004 nan 4.420 nan 0.000 0.269 568 P C -0.992 176.291 177.300 -0.028 0.000 1.215 568 P CA -0.300 62.783 63.100 -0.028 0.000 0.780 568 P CB 0.478 32.149 31.700 -0.049 0.000 0.898 569 K N 3.175 123.556 120.400 -0.032 0.000 2.250 569 K HA 0.161 4.471 4.320 -0.017 0.000 0.285 569 K C -1.609 174.972 176.600 -0.031 0.000 1.097 569 K CA -1.563 54.709 56.287 -0.025 0.000 0.913 569 K CB 0.595 33.085 32.500 -0.017 0.000 1.179 569 K HN 0.298 nan 8.250 nan 0.000 0.462 570 P HA -0.049 nan 4.420 nan 0.000 0.225 570 P C -0.290 177.002 177.300 -0.014 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 -0.008 0.000 2.354 571 A HA 0.762 5.072 4.320 -0.017 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 1.680 20.680 19.000 0.000 0.000 1.293 571 A HN -0.063 nan 8.150 nan 0.000 0.452 572 K N -0.975 119.430 120.400 0.008 0.000 8.038 572 K HA -0.087 4.223 4.320 -0.017 0.000 0.228 572 K C 0.903 177.513 176.600 0.017 0.000 1.590 572 K CA 0.182 56.476 56.287 0.012 0.000 0.932 572 K CB -1.040 31.466 32.500 0.010 0.000 0.482 572 K HN 1.010 nan 8.250 nan 0.000 0.444 573 G N 1.836 110.649 108.800 0.022 0.000 3.088 573 G HA2 0.136 4.085 3.960 -0.017 0.000 0.217 573 G HA3 0.136 4.085 3.960 -0.017 0.000 0.217 573 G C -0.096 174.831 174.900 0.046 0.000 1.159 573 G CA 0.083 45.202 45.100 0.031 0.000 0.760 573 G HN 0.082 nan 8.290 nan 0.000 0.550 574 K N -0.226 120.197 120.400 0.039 0.000 2.126 574 K HA 0.544 4.854 4.320 -0.017 0.000 0.257 574 K C 0.933 177.575 176.600 0.070 0.000 1.007 574 K CA 0.054 56.373 56.287 0.054 0.000 0.928 574 K CB 1.666 34.176 32.500 0.017 0.000 1.013 574 K HN 0.002 nan 8.250 nan 0.000 0.473 575 A N 1.238 124.131 122.820 0.123 0.000 2.108 575 A HA 0.085 4.394 4.320 -0.017 0.000 0.206 575 A C 0.527 178.178 177.584 0.112 0.000 1.212 575 A CA 0.693 52.811 52.037 0.136 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 -2.462 117.795 120.200 0.095 0.000 2.394 576 E HA 0.620 4.960 4.350 -0.017 0.000 0.266 576 E C -1.630 174.907 176.600 -0.105 0.000 1.065 576 E CA -0.483 55.920 56.400 0.004 0.000 0.885 576 E CB 1.475 31.187 29.700 0.019 0.000 1.659 576 E HN 0.291 nan 8.360 nan 0.000 0.462 577 A N 0.532 123.195 122.820 -0.262 0.000 2.324 577 A HA 0.672 4.981 4.320 -0.017 0.000 0.330 577 A C -0.636 176.465 177.584 -0.804 0.000 1.165 577 A CA -0.093 51.747 52.037 -0.328 0.000 0.813 577 A CB 0.613 19.489 19.000 -0.205 0.000 1.197 577 A HN 0.752 nan 8.150 nan 0.000 0.484 578 H N 0.592 119.659 119.070 -0.005 0.000 1.718 578 H HA 0.157 4.703 4.556 -0.016 0.000 0.132 578 H C -0.835 174.578 175.328 0.140 0.000 1.127 578 H CA 0.985 57.059 56.048 0.044 0.000 0.969 578 H CB 0.482 30.226 29.762 -0.030 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 0.578 5.095 4.527 -0.017 0.000 0.315 579 F C -1.595 174.182 175.800 -0.039 0.000 1.099 579 F CA -1.063 56.862 58.000 -0.126 0.000 1.033 579 F CB 1.037 39.853 39.000 -0.307 0.000 1.285 579 F HN -0.020 nan 8.300 nan 0.000 0.457 580 S N 3.433 119.127 115.700 -0.009 0.000 2.593 580 S HA 0.899 5.358 4.470 -0.017 0.000 0.297 580 S C -1.237 173.440 174.600 0.128 0.000 1.112 580 S CA -0.760 57.441 58.200 0.001 0.000 1.043 580 S CB 2.260 65.439 63.200 -0.034 0.000 1.054 580 S HN 0.747 nan 8.310 nan 0.000 0.516 581 L N 1.233 122.587 121.223 0.219 0.000 2.341 581 L HA 0.580 4.910 4.340 -0.017 0.000 0.267 581 L C -0.830 176.133 176.870 0.155 0.000 1.009 581 L CA -0.617 54.344 54.840 0.202 0.000 0.819 581 L CB 2.298 44.515 42.059 0.264 0.000 1.323 581 L HN 0.632 nan 8.230 nan 0.000 0.425 582 V N 3.022 122.978 119.914 0.072 0.000 2.217 582 V HA 0.315 4.424 4.120 -0.017 0.000 0.264 582 V C 0.145 176.291 176.094 0.086 0.000 1.107 582 V CA -0.657 61.700 62.300 0.095 0.000 0.913 582 V CB -0.359 31.511 31.823 0.079 0.000 1.153 582 V HN 0.574 nan 8.190 nan 0.000 0.469 583 H N 2.683 121.835 119.070 0.138 0.000 2.544 583 H HA 0.102 4.648 4.556 -0.018 0.000 0.365 583 H C 1.190 176.474 175.328 -0.074 0.000 1.268 583 H CA 0.231 56.333 56.048 0.091 0.000 1.400 583 H CB 1.232 31.125 29.762 0.218 0.000 1.538 583 H HN 0.666 nan 8.280 nan 0.000 0.597 584 Y N -0.037 120.329 120.300 0.111 0.000 2.165 584 Y HA -0.161 4.378 4.550 -0.018 0.000 0.286 584 Y C 2.212 178.027 175.900 -0.141 0.000 1.155 584 Y CA 1.082 59.173 58.100 -0.014 0.000 1.164 584 Y CB -0.909 37.542 38.460 -0.013 0.000 0.978 584 Y HN 0.527 nan 8.280 nan 0.000 0.513 585 A N 0.517 122.744 122.820 -0.989 0.000 2.014 585 A HA 0.433 4.742 4.320 -0.017 0.000 0.218 585 A C 1.580 178.954 177.584 -0.350 0.000 1.163 585 A CA 1.319 52.898 52.037 -0.765 0.000 0.652 585 A CB -1.110 16.961 19.000 -1.548 0.000 0.808 585 A HN 0.986 nan 8.150 nan 0.000 0.449 586 G N -2.858 105.811 108.800 -0.217 0.000 2.350 586 G HA2 0.328 4.278 3.960 -0.017 0.000 0.276 586 G HA3 0.328 4.278 3.960 -0.017 0.000 0.276 586 G C -0.769 174.198 174.900 0.112 0.000 1.313 586 G CA -0.111 44.977 45.100 -0.019 0.000 0.903 586 G HN 0.202 nan 8.290 nan 0.000 0.490 587 T N 0.642 115.249 114.554 0.090 0.000 2.743 587 T HA 0.549 4.889 4.350 -0.017 0.000 0.293 587 T C -0.053 174.676 174.700 0.050 0.000 0.945 587 T CA -0.100 62.058 62.100 0.098 0.000 1.030 587 T CB 1.201 70.094 68.868 0.041 0.000 0.912 587 T HN 0.731 nan 8.240 nan 0.000 0.483 588 V N 4.430 124.377 119.914 0.055 0.000 2.417 588 V HA 0.316 4.426 4.120 -0.017 0.000 0.291 588 V C -0.129 175.722 176.094 -0.403 0.000 1.024 588 V CA -1.025 61.119 62.300 -0.260 0.000 0.861 588 V CB 1.807 33.327 31.823 -0.504 0.000 0.985 588 V HN 0.813 nan 8.190 nan 0.000 0.436 589 D N 4.276 124.425 120.400 -0.418 0.000 2.347 589 D HA 0.326 4.956 4.640 -0.017 0.000 0.235 589 D C -0.930 175.078 176.300 -0.486 0.000 1.149 589 D CA 0.112 53.905 54.000 -0.345 0.000 0.850 589 D CB 1.178 41.863 40.800 -0.192 0.000 1.061 589 D HN 0.441 nan 8.370 nan 0.000 0.487 590 Y N 1.286 121.304 120.300 -0.470 0.000 2.342 590 Y HA 0.169 4.709 4.550 -0.016 0.000 0.334 590 Y C 1.009 176.658 175.900 -0.418 0.000 1.067 590 Y CA -0.876 56.901 58.100 -0.538 0.000 1.128 590 Y CB 1.189 39.150 38.460 -0.832 0.000 1.200 590 Y HN 0.206 nan 8.280 nan 0.000 0.464 591 N N 3.955 122.598 118.700 -0.096 0.000 2.424 591 N HA 0.277 5.006 4.740 -0.017 0.000 0.271 591 N C -1.107 174.226 175.510 -0.295 0.000 0.985 591 N CA -0.306 52.749 53.050 0.007 0.000 0.921 591 N CB 0.789 39.218 38.487 -0.097 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 -0.893 0.000 2.261 592 I HA 0.051 4.210 4.170 -0.017 0.000 0.285 592 I C 0.191 175.813 176.117 -0.826 0.000 1.113 592 I CA -0.231 60.166 61.300 -1.505 0.000 1.377 592 I CB 0.052 37.395 38.000 -1.095 0.000 1.530 592 I HN 0.426 nan 8.210 nan 0.000 0.607 593 S N 2.298 117.833 115.700 -0.276 0.000 2.652 593 S HA 0.693 5.153 4.470 -0.017 0.000 0.252 593 S C 0.276 175.048 174.600 0.287 0.000 1.219 593 S CA 0.079 58.304 58.200 0.041 0.000 1.151 593 S CB 1.286 64.537 63.200 0.086 0.000 1.080 593 S HN 0.804 nan 8.310 nan 0.000 0.481 594 G N 2.749 111.710 108.800 0.269 0.000 2.318 594 G HA2 -0.173 3.777 3.960 -0.017 0.000 0.172 594 G HA3 -0.173 3.777 3.960 -0.017 0.000 0.172 594 G C 0.572 175.580 174.900 0.180 0.000 1.002 594 G CA 0.084 45.308 45.100 0.207 0.000 0.697 594 G HN 0.564 nan 8.290 nan 0.000 0.483 595 W N 0.786 121.995 121.300 -0.152 0.000 2.317 595 W HA 0.113 4.761 4.660 -0.020 0.000 0.318 595 W C 2.395 178.654 176.519 -0.434 0.000 1.227 595 W CA 1.489 58.620 57.345 -0.356 0.000 1.269 595 W CB -1.311 27.998 29.460 -0.251 0.000 1.155 595 W HN 0.278 nan 8.180 nan 0.000 0.484 596 L N 0.194 121.368 121.223 -0.081 0.000 1.997 596 L HA -0.197 4.133 4.340 -0.017 0.000 0.216 596 L C 1.688 178.485 176.870 -0.122 0.000 1.074 596 L CA 1.740 56.483 54.840 -0.161 0.000 0.763 596 L CB -1.283 40.713 42.059 -0.105 0.000 0.890 596 L HN -0.079 nan 8.230 nan 0.000 0.434 602 P HA 0.372 nan 4.420 nan 0.000 0.271 602 P C -0.872 176.450 177.300 0.037 0.000 1.233 602 P CA -0.379 62.745 63.100 0.040 0.000 0.764 602 P CB 0.692 32.405 31.700 0.020 0.000 0.825 603 L N 2.992 124.235 121.223 0.032 0.000 2.436 603 L HA 0.316 4.646 4.340 -0.017 0.000 0.268 603 L C 0.101 176.947 176.870 -0.039 0.000 0.974 603 L CA -0.839 54.002 54.840 0.002 0.000 0.826 603 L CB 1.684 43.741 42.059 -0.004 0.000 1.291 603 L HN 0.316 nan 8.230 nan 0.000 0.406 604 N N 2.168 120.826 118.700 -0.070 0.000 2.406 604 N HA -0.031 4.699 4.740 -0.017 0.000 0.274 604 N C 0.622 176.044 175.510 -0.148 0.000 1.249 604 N CA 0.480 53.472 53.050 -0.097 0.000 0.951 604 N CB 0.498 38.925 38.487 -0.100 0.000 1.241 604 N HN 0.654 nan 8.380 nan 0.000 0.485 605 E N 1.617 121.754 120.200 -0.106 0.000 2.265 605 E HA -0.139 4.201 4.350 -0.017 0.000 0.196 605 E C 0.919 177.435 176.600 -0.140 0.000 0.996 605 E CA 1.337 57.670 56.400 -0.112 0.000 0.832 605 E CB 0.172 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 4.218 4.350 -0.017 0.000 0.265 606 T C 2.047 176.632 174.700 -0.193 0.000 1.038 606 T CA 1.147 63.174 62.100 -0.122 0.000 1.144 606 T CB -0.159 68.658 68.868 -0.085 0.000 0.866 606 T HN 0.003 nan 8.240 nan 0.000 0.434 607 V N 2.181 121.936 119.914 -0.265 0.000 2.287 607 V HA -0.159 3.951 4.120 -0.017 0.000 0.248 607 V C 2.491 178.131 176.094 -0.756 0.000 1.053 607 V CA 1.420 63.460 62.300 -0.434 0.000 1.027 607 V CB -0.756 30.805 31.823 -0.437 0.000 0.646 607 V HN 0.495 nan 8.190 nan 0.000 0.447 608 I N 1.005 121.127 120.570 -0.746 0.000 2.315 608 I HA -0.231 3.928 4.170 -0.017 0.000 0.251 608 I C 2.567 178.415 176.117 -0.450 0.000 1.125 608 I CA 1.786 62.589 61.300 -0.828 0.000 1.392 608 I CB -1.367 36.305 38.000 -0.546 0.000 1.065 608 I HN 0.462 nan 8.210 nan 0.000 0.424 609 G N 1.589 110.214 108.800 -0.291 0.000 2.459 609 G HA2 -0.233 3.716 3.960 -0.017 0.000 0.217 609 G HA3 -0.233 3.716 3.960 -0.017 0.000 0.217 609 G C 1.531 176.369 174.900 -0.105 0.000 1.183 609 G CA 0.454 45.471 45.100 -0.138 0.000 0.776 609 G HN 0.163 nan 8.290 nan 0.000 0.552 610 L N -0.000 121.137 121.223 -0.143 0.000 2.043 610 L HA -0.087 4.243 4.340 -0.017 0.000 0.212 610 L C 2.720 179.634 176.870 0.074 0.000 1.075 610 L CA 0.921 55.738 54.840 -0.039 0.000 0.752 610 L CB -1.347 40.691 42.059 -0.034 0.000 0.891 610 L HN 0.236 nan 8.230 nan 0.000 0.432 611 Y N -0.249 119.982 120.300 -0.114 0.000 2.128 611 Y HA -0.153 4.387 4.550 -0.015 0.000 0.284 611 Y C 1.914 177.792 175.900 -0.037 0.000 1.154 611 Y CA -0.138 57.898 58.100 -0.107 0.000 1.149 611 Y CB -1.169 37.117 38.460 -0.291 0.000 0.976 611 Y HN 0.311 nan 8.280 nan 0.000 0.505 615 S N 0.615 116.319 115.700 0.006 0.000 2.528 615 S HA 0.252 4.712 4.470 -0.017 0.000 0.219 615 S C 0.727 175.313 174.600 -0.024 0.000 0.985 615 S CA 0.124 58.322 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 0.537 nan 8.310 nan 0.000 0.526 619 L N 2.873 123.935 121.223 -0.268 0.000 2.042 619 L HA 0.270 4.600 4.340 -0.017 0.000 0.210 619 L C 2.518 179.361 176.870 -0.045 0.000 1.076 619 L CA 2.724 57.456 54.840 -0.181 0.000 0.749 619 L CB -0.947 41.014 42.059 -0.163 0.000 0.893 619 L HN 0.388 nan 8.230 nan 0.000 0.432 620 A N -0.672 122.126 122.820 -0.038 0.000 1.883 620 A HA -0.208 4.101 4.320 -0.017 0.000 0.217 620 A C 2.238 179.846 177.584 0.040 0.000 1.186 620 A CA 2.054 54.114 52.037 0.039 0.000 0.624 620 A CB -0.967 18.043 19.000 0.016 0.000 0.822 620 A HN 0.447 nan 8.150 nan 0.000 0.444 621 L N -0.957 120.228 121.223 -0.063 0.000 1.970 621 L HA -0.194 4.135 4.340 -0.017 0.000 0.212 621 L C 2.334 179.167 176.870 -0.061 0.000 1.071 621 L CA 1.593 56.387 54.840 -0.077 0.000 0.751 621 L CB -0.673 41.287 42.059 -0.164 0.000 0.889 621 L HN 0.319 nan 8.230 nan 0.000 0.432 622 L N -1.585 119.521 121.223 -0.194 0.000 2.171 622 L HA -0.294 4.036 4.340 -0.017 0.000 0.216 622 L C 2.163 178.974 176.870 -0.098 0.000 1.084 622 L CA 1.899 56.602 54.840 -0.230 0.000 0.771 622 L CB -0.897 40.943 42.059 -0.365 0.000 0.890 622 L HN 0.164 nan 8.230 nan 0.000 0.437 623 F N -1.673 118.351 119.950 0.124 0.000 2.664 623 F HA 0.126 4.642 4.527 -0.019 0.000 0.296 623 F C 2.191 178.171 175.800 0.299 0.000 1.125 623 F CA 0.468 58.636 58.000 0.280 0.000 1.444 623 F CB -0.550 38.564 39.000 0.190 0.000 1.114 623 F HN 0.015 nan 8.300 nan 0.000 0.576 624 A N -0.028 122.961 122.820 0.281 0.000 1.909 624 A HA -0.392 3.917 4.320 -0.017 0.000 0.221 624 A C 2.337 180.008 177.584 0.144 0.000 1.223 624 A CA 2.843 54.982 52.037 0.170 0.000 0.658 624 A CB -1.574 17.479 19.000 0.089 0.000 0.831 624 A HN 0.371 nan 8.150 nan 0.000 0.462 625 T N -2.490 112.118 114.554 0.090 0.000 2.833 625 T HA -0.172 4.167 4.350 -0.017 0.000 0.269 625 T C 1.681 176.341 174.700 -0.068 0.000 1.054 625 T CA 1.796 63.871 62.100 -0.042 0.000 1.135 625 T CB -0.490 68.295 68.868 -0.139 0.000 0.869 625 T HN 0.547 nan 8.240 nan 0.000 0.466 626 Y N 1.226 121.619 120.300 0.155 0.000 2.163 626 Y HA 0.178 4.715 4.550 -0.020 0.000 0.288 626 Y C 2.993 178.957 175.900 0.107 0.000 1.136 626 Y CA 0.993 59.194 58.100 0.168 0.000 1.147 626 Y CB -0.980 37.644 38.460 0.274 0.000 0.987 626 Y HN 0.333 nan 8.280 nan 0.000 0.509 627 G N -0.441 108.524 108.800 0.275 0.000 2.432 627 G HA2 -0.188 3.761 3.960 -0.017 0.000 0.219 627 G HA3 -0.188 3.761 3.960 -0.017 0.000 0.219 627 G C 1.929 176.882 174.900 0.089 0.000 1.135 627 G CA 0.935 46.127 45.100 0.154 0.000 0.767 627 G HN 0.526 nan 8.290 nan 0.000 0.550 628 G N 0.111 108.950 108.800 0.066 0.000 2.511 628 G HA2 0.052 4.002 3.960 -0.017 0.000 0.217 628 G HA3 0.052 4.002 3.960 -0.017 0.000 0.217 628 G C 1.468 176.370 174.900 0.004 0.000 1.133 628 G CA 0.518 45.632 45.100 0.023 0.000 0.792 628 G HN 0.529 nan 8.290 nan 0.000 0.539 629 E N 0.331 120.531 120.200 0.000 0.000 2.474 629 E HA 0.238 4.578 4.350 -0.017 0.000 0.194 629 E C 2.605 179.212 176.600 0.011 0.000 1.041 629 E CA 0.232 56.620 56.400 -0.020 0.000 0.874 629 E CB 0.221 29.885 29.700 -0.059 0.000 0.914 629 E HN 0.358 nan 8.360 nan 0.000 0.498 630 A N 1.720 124.562 122.820 0.037 0.000 2.024 630 A HA -0.259 4.050 4.320 -0.017 0.000 0.220 630 A C 1.864 179.460 177.584 0.018 0.000 1.164 630 A CA 1.308 53.368 52.037 0.038 0.000 0.643 630 A CB -0.337 18.691 19.000 0.046 0.000 0.806 630 A HN 0.196 nan 8.150 nan 0.000 0.451 631 E N -0.704 119.502 120.200 0.011 0.000 2.097 631 E HA -0.188 4.152 4.350 -0.017 0.000 0.196 631 E C 2.063 178.662 176.600 -0.002 0.000 1.000 631 E CA 0.991 57.392 56.400 0.003 0.000 0.804 631 E CB -0.420 29.279 29.700 -0.001 0.000 0.740 631 E HN 0.634 nan 8.360 nan 0.000 0.454 632 G N 0.428 109.224 108.800 -0.006 0.000 2.471 632 G HA2 -0.118 3.832 3.960 -0.017 0.000 0.219 632 G HA3 -0.118 3.832 3.960 -0.017 0.000 0.219 632 G C 1.048 175.944 174.900 -0.007 0.000 1.125 632 G CA 0.686 45.780 45.100 -0.011 0.000 0.775 632 G HN 0.329 nan 8.290 nan 0.000 0.548 633 G N -0.264 108.537 108.800 0.001 0.000 4.637 633 G HA2 0.434 4.383 3.960 -0.017 0.000 0.294 633 G HA3 0.434 4.383 3.960 -0.017 0.000 0.294 633 G C 1.089 175.992 174.900 0.005 0.000 1.215 633 G CA 0.647 45.749 45.100 0.004 0.000 0.943 633 G HN 0.333 nan 8.290 nan 0.000 0.572 634 G N 0.675 109.476 108.800 0.001 0.000 2.446 634 G HA2 0.233 4.183 3.960 -0.017 0.000 0.217 634 G HA3 0.233 4.183 3.960 -0.017 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 0.001 0.000 0.771 634 G HN 0.725 nan 8.290 nan 0.000 0.551 635 G N -0.828 107.970 108.800 -0.005 0.000 2.471 635 G HA2 0.522 4.472 3.960 -0.017 0.000 0.332 635 G HA3 0.522 4.472 3.960 -0.017 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 1.385 121.780 120.400 -0.009 0.000 2.511 636 K HA 0.221 4.530 4.320 -0.017 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 0.244 32.739 32.500 -0.009 0.000 0.889 636 K HN 0.658 nan 8.250 nan 0.000 0.484 637 K N -0.338 120.048 120.400 -0.023 0.000 7.478 637 K HA -0.115 4.195 4.320 -0.017 0.000 1.018 637 K C 0.168 176.740 176.600 -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 0.264 4.214 3.960 -0.017 0.000 0.214 638 G HA3 0.264 4.214 3.960 -0.017 0.000 0.214 638 G C -0.310 174.567 174.900 -0.038 0.000 1.271 638 G CA 0.044 45.112 45.100 -0.053 0.000 0.944 638 G HN 1.270 nan 8.290 nan 0.000 0.568 639 G N -0.627 108.159 108.800 -0.024 0.000 2.644 639 G HA2 0.614 4.564 3.960 -0.017 0.000 0.300 639 G HA3 0.614 4.564 3.960 -0.017 0.000 0.300 639 G C 0.473 175.370 174.900 -0.005 0.000 1.395 639 G CA 0.342 45.435 45.100 -0.012 0.000 0.964 639 G HN 0.696 nan 8.290 nan 0.000 0.511 640 K N 1.310 121.714 120.400 0.007 0.000 2.211 640 K HA -0.065 4.245 4.320 -0.017 0.000 0.203 640 K C 2.043 178.630 176.600 -0.020 0.000 1.050 640 K CA 0.827 57.121 56.287 0.011 0.000 0.945 640 K CB 0.190 32.717 32.500 0.045 0.000 0.732 640 K HN 0.407 nan 8.250 nan 0.000 0.451 641 K N 1.132 121.514 120.400 -0.030 0.000 2.283 641 K HA -0.096 4.214 4.320 -0.017 0.000 0.202 641 K C 1.677 178.242 176.600 -0.058 0.000 1.048 641 K CA 0.938 57.187 56.287 -0.063 0.000 0.948 641 K CB 0.021 32.494 32.500 -0.045 0.000 0.742 641 K HN 0.114 nan 8.250 nan 0.000 0.458 642 K N -0.053 120.324 120.400 -0.039 0.000 2.160 642 K HA -0.141 4.168 4.320 -0.017 0.000 0.206 642 K C 1.844 178.422 176.600 -0.036 0.000 1.047 642 K CA 1.395 57.663 56.287 -0.032 0.000 0.930 642 K CB -0.064 32.423 32.500 -0.022 0.000 0.720 642 K HN 0.272 nan 8.250 nan 0.000 0.450 643 G N -0.457 108.318 108.800 -0.041 0.000 3.377 643 G HA2 0.056 4.006 3.960 -0.017 0.000 0.257 643 G HA3 0.056 4.006 3.960 -0.017 0.000 0.257 643 G C 0.135 174.992 174.900 -0.071 0.000 1.038 643 G CA 0.333 45.408 45.100 -0.041 0.000 0.809 643 G HN 0.185 nan 8.290 nan 0.000 0.526 644 S N -1.234 114.401 115.700 -0.109 0.000 2.872 644 S HA -0.210 4.249 4.470 -0.017 0.000 0.270 644 S C 0.451 174.878 174.600 -0.287 0.000 1.345 644 S CA 0.432 58.519 58.200 -0.189 0.000 1.080 644 S CB -2.676 60.426 63.200 -0.163 0.000 1.328 644 S HN 1.638 nan 8.310 nan 0.000 0.692 645 S N 0.831 116.413 115.700 -0.197 0.000 2.586 645 S HA 0.763 5.222 4.470 -0.017 0.000 0.274 645 S C 0.049 174.536 174.600 -0.189 0.000 1.281 645 S CA -0.829 57.271 58.200 -0.166 0.000 1.035 645 S CB 0.215 63.426 63.200 0.019 0.000 0.962 645 S HN 0.377 nan 8.310 nan 0.000 0.512 646 F N 1.477 121.430 119.950 0.004 0.000 2.518 646 F HA 0.208 4.725 4.527 -0.017 0.000 0.359 646 F C 1.834 177.651 175.800 0.028 0.000 1.118 646 F CA 0.039 58.049 58.000 0.016 0.000 1.287 646 F CB 0.469 39.486 39.000 0.028 0.000 1.132 646 F HN 0.706 nan 8.300 nan 0.000 0.587 647 Q N 0.091 120.006 119.800 0.191 0.000 2.392 647 Q HA 0.103 4.433 4.340 -0.017 0.000 0.219 647 Q C 0.375 176.445 176.000 0.116 0.000 0.895 647 Q CA 0.405 56.279 55.803 0.119 0.000 0.929 647 Q CB 0.893 29.674 28.738 0.072 0.000 1.077 647 Q HN 0.675 nan 8.270 nan 0.000 0.532 648 T N -0.800 113.841 114.554 0.144 0.000 2.900 648 T HA 0.245 4.585 4.350 -0.017 0.000 0.295 648 T C 0.115 174.867 174.700 0.088 0.000 1.044 648 T CA -0.496 61.661 62.100 0.094 0.000 0.995 648 T CB 2.062 70.978 68.868 0.080 0.000 1.072 648 T HN -0.181 nan 8.240 nan 0.000 0.473 649 V N 3.478 123.412 119.914 0.032 0.000 3.592 649 V HA 0.091 4.201 4.120 -0.017 0.000 0.272 649 V C 1.470 177.641 176.094 0.129 0.000 1.228 649 V CA 1.912 64.240 62.300 0.046 0.000 1.173 649 V CB -0.463 31.348 31.823 -0.021 0.000 0.873 649 V HN 0.981 nan 8.190 nan 0.000 0.476 650 S N -2.522 113.232 115.700 0.090 0.000 2.546 650 S HA 0.243 4.703 4.470 -0.017 0.000 0.282 650 S C 1.770 176.354 174.600 -0.026 0.000 1.074 650 S CA 0.524 58.713 58.200 -0.018 0.000 1.254 650 S CB 0.207 63.295 63.200 -0.187 0.000 1.103 650 S HN 0.372 nan 8.310 nan 0.000 0.589 651 A N 2.282 125.136 122.820 0.057 0.000 1.940 651 A HA 0.145 4.454 4.320 -0.017 0.000 0.219 651 A C 2.048 179.709 177.584 0.127 0.000 1.176 651 A CA 1.630 53.724 52.037 0.095 0.000 0.631 651 A CB -0.785 18.310 19.000 0.157 0.000 0.814 651 A HN 0.496 nan 8.150 nan 0.000 0.446 652 L N -2.622 118.711 121.223 0.185 0.000 2.071 652 L HA 0.003 4.332 4.340 -0.017 0.000 0.201 652 L C 2.300 179.263 176.870 0.154 0.000 1.076 652 L CA 1.153 56.112 54.840 0.198 0.000 0.755 652 L CB -0.703 41.484 42.059 0.214 0.000 0.915 652 L HN 0.410 nan 8.230 nan 0.000 0.445 653 F N 1.383 121.344 119.950 0.020 0.000 2.076 653 F HA -0.399 4.117 4.527 -0.019 0.000 0.294 653 F C 2.580 178.401 175.800 0.035 0.000 1.078 653 F CA 1.967 59.975 58.000 0.013 0.000 1.247 653 F CB -0.440 38.512 39.000 -0.080 0.000 0.984 653 F HN -0.076 nan 8.300 nan 0.000 0.491 654 R N -0.080 120.281 120.500 -0.231 0.000 2.070 654 R HA -0.179 4.150 4.340 -0.017 0.000 0.233 654 R C 2.274 178.490 176.300 -0.140 0.000 1.137 654 R CA 1.803 57.773 56.100 -0.217 0.000 0.945 654 R CB -0.736 29.537 30.300 -0.045 0.000 0.845 654 R HN 0.403 nan 8.270 nan 0.000 0.430 655 E N 0.293 120.471 120.200 -0.037 0.000 2.118 655 E HA -0.201 4.138 4.350 -0.017 0.000 0.195 655 E C 1.475 178.074 176.600 -0.002 0.000 0.992 655 E CA 1.626 58.028 56.400 0.003 0.000 0.804 655 E CB 0.024 29.757 29.700 0.054 0.000 0.741 655 E HN 0.375 nan 8.360 nan 0.000 0.458 656 N N -0.421 118.286 118.700 0.013 0.000 2.135 656 N HA -0.121 4.609 4.740 -0.017 0.000 0.186 656 N C 1.610 177.105 175.510 -0.026 0.000 1.027 656 N CA 0.485 53.586 53.050 0.085 0.000 0.849 656 N CB -0.046 38.585 38.487 0.241 0.000 1.002 656 N HN 0.070 nan 8.380 nan 0.000 0.425 657 L N 1.203 122.280 121.223 -0.243 0.000 2.450 657 L HA 0.053 4.383 4.340 -0.017 0.000 0.224 657 L C -0.101 176.602 176.870 -0.278 0.000 1.149 657 L CA 1.197 55.793 54.840 -0.406 0.000 0.816 657 L CB -0.697 40.962 42.059 -0.667 0.000 0.932 657 L HN 0.066 nan 8.230 nan 0.000 0.449 661 M N 0.895 120.302 119.600 -0.321 0.000 2.435 661 M HA 0.019 4.489 4.480 -0.017 0.000 0.262 661 M C 1.951 178.093 176.300 -0.262 0.000 1.065 661 M CA 1.634 56.720 55.300 -0.357 0.000 1.076 661 M CB -1.270 31.140 32.600 -0.315 0.000 1.403 661 M HN 0.569 nan 8.290 nan 0.000 0.454 662 A N -0.237 122.491 122.820 -0.153 0.000 1.943 662 A HA -0.044 4.266 4.320 -0.017 0.000 0.213 662 A C 2.005 179.582 177.584 -0.012 0.000 1.181 662 A CA 0.919 52.916 52.037 -0.065 0.000 0.653 662 A CB -0.353 18.633 19.000 -0.025 0.000 0.833 662 A HN 0.379 nan 8.150 nan 0.000 0.451 663 N N -0.162 118.536 118.700 -0.004 0.000 2.270 663 N HA -0.054 4.676 4.740 -0.017 0.000 0.181 663 N C 1.385 176.986 175.510 0.152 0.000 1.016 663 N CA 0.753 53.889 53.050 0.144 0.000 0.870 663 N CB -0.233 38.373 38.487 0.198 0.000 0.979 663 N HN 0.275 nan 8.380 nan 0.000 0.431 664 L N 1.469 122.643 121.223 -0.082 0.000 2.141 664 L HA 0.009 4.339 4.340 -0.017 0.000 0.209 664 L C 2.168 178.999 176.870 -0.063 0.000 1.094 664 L CA 1.187 55.912 54.840 -0.192 0.000 0.763 664 L CB -0.351 41.326 42.059 -0.638 0.000 0.908 664 L HN 0.083 nan 8.230 nan 0.000 0.437 665 R N -1.000 119.481 120.500 -0.032 0.000 2.062 665 R HA -0.006 4.324 4.340 -0.017 0.000 0.229 665 R C 1.587 177.974 176.300 0.145 0.000 1.128 665 R CA 1.355 57.533 56.100 0.132 0.000 0.960 665 R CB -0.508 29.838 30.300 0.077 0.000 0.855 665 R HN 0.364 nan 8.270 nan 0.000 0.432 666 S N 0.738 116.509 115.700 0.119 0.000 3.009 666 S HA 0.060 4.519 4.470 -0.017 0.000 0.243 666 S C 0.045 174.688 174.600 0.072 0.000 1.012 666 S CA 0.093 58.359 58.200 0.110 0.000 1.113 666 S CB 0.024 63.312 63.200 0.147 0.000 0.827 666 S HN 0.089 nan 8.310 nan 0.000 0.495 667 T N 1.198 115.804 114.554 0.087 0.000 2.906 667 T HA 0.270 4.610 4.350 -0.017 0.000 0.295 667 T C -0.920 173.830 174.700 0.083 0.000 1.061 667 T CA -0.664 61.461 62.100 0.040 0.000 1.000 667 T CB 1.427 70.350 68.868 0.092 0.000 1.103 667 T HN 0.478 nan 8.240 nan 0.000 0.486 668 H N 3.906 122.899 119.070 -0.129 0.000 2.872 668 H HA 0.280 4.826 4.556 -0.018 0.000 0.273 668 H C -2.354 172.730 175.328 -0.408 0.000 1.205 668 H CA -2.548 53.353 56.048 -0.245 0.000 1.342 668 H CB 0.544 30.140 29.762 -0.277 0.000 1.469 668 H HN 0.163 nan 8.280 nan 0.000 0.487 669 P HA -0.013 nan 4.420 nan 0.000 0.267 669 P C -0.881 175.799 177.300 -1.034 0.000 1.205 669 P CA 0.499 63.202 63.100 -0.662 0.000 0.765 669 P CB 0.653 31.866 31.700 -0.810 0.000 0.828 670 H N 2.858 121.556 119.070 -0.620 0.000 2.658 670 H HA 0.341 4.886 4.556 -0.017 0.000 0.337 670 H C -0.479 174.650 175.328 -0.332 0.000 1.009 670 H CA -0.302 55.516 56.048 -0.383 0.000 1.231 670 H CB 0.626 30.252 29.762 -0.227 0.000 1.508 670 H HN 0.281 nan 8.280 nan 0.000 0.517 671 F N 1.906 121.987 119.950 0.219 0.000 2.421 671 F HA 0.418 4.934 4.527 -0.018 0.000 0.337 671 F C 0.306 176.278 175.800 0.286 0.000 1.105 671 F CA -0.773 57.395 58.000 0.279 0.000 1.049 671 F CB 1.596 40.836 39.000 0.400 0.000 1.139 671 F HN 0.090 nan 8.300 nan 0.000 0.479 672 V N 3.979 124.131 119.914 0.397 0.000 2.524 672 V HA 0.520 4.629 4.120 -0.017 0.000 0.297 672 V C -0.731 175.453 176.094 0.150 0.000 1.035 672 V CA -0.897 61.548 62.300 0.243 0.000 0.867 672 V CB 1.659 33.566 31.823 0.141 0.000 1.004 672 V HN 0.503 nan 8.190 nan 0.000 0.426 673 R N 2.547 123.085 120.500 0.063 0.000 2.288 673 R HA 0.554 4.884 4.340 -0.017 0.000 0.326 673 R C -0.794 175.484 176.300 -0.037 0.000 0.959 673 R CA -0.684 55.373 56.100 -0.073 0.000 0.834 673 R CB 1.127 31.238 30.300 -0.315 0.000 1.157 673 R HN 0.714 nan 8.270 nan 0.000 0.470 674 C N 4.355 123.642 119.300 -0.022 0.000 2.369 674 C HA 0.576 5.025 4.460 -0.017 0.000 0.358 674 C C 0.748 175.705 174.990 -0.055 0.000 1.274 674 C CA -0.612 58.396 59.018 -0.017 0.000 1.935 674 C CB -0.247 27.499 27.740 0.009 0.000 2.431 674 C HN 0.641 nan 8.230 nan 0.000 0.545 675 I N 3.213 123.732 120.570 -0.086 0.000 2.740 675 I HA 0.518 4.678 4.170 -0.017 0.000 0.303 675 I C -0.261 175.772 176.117 -0.140 0.000 1.044 675 I CA -0.315 60.916 61.300 -0.116 0.000 1.064 675 I CB 1.476 39.384 38.000 -0.154 0.000 1.249 675 I HN 0.576 nan 8.210 nan 0.000 0.433 676 I N 7.481 127.987 120.570 -0.106 0.000 2.420 676 I HA 0.361 4.521 4.170 -0.017 0.000 0.282 676 I C -1.919 174.160 176.117 -0.063 0.000 1.019 676 I CA -2.350 58.907 61.300 -0.072 0.000 1.130 676 I CB 2.065 40.076 38.000 0.018 0.000 1.262 676 I HN 0.378 nan 8.210 nan 0.000 0.454 677 P HA -0.106 nan 4.420 nan 0.000 0.211 677 P C -0.820 176.506 177.300 0.045 0.000 1.179 677 P CA 1.301 64.349 63.100 -0.087 0.000 0.910 677 P CB -0.072 31.583 31.700 -0.075 0.000 0.785 678 N N -2.429 116.368 118.700 0.163 0.000 2.287 678 N HA 0.193 4.923 4.740 -0.017 0.000 0.289 678 N C 0.168 175.744 175.510 0.110 0.000 1.066 678 N CA -0.781 52.339 53.050 0.116 0.000 0.841 678 N CB 1.045 39.600 38.487 0.113 0.000 1.599 678 N HN -0.185 nan 8.380 nan 0.000 0.476 679 E N -0.116 120.115 120.200 0.051 0.000 2.219 679 E HA -0.172 4.168 4.350 -0.017 0.000 0.198 679 E C 0.574 177.167 176.600 -0.012 0.000 0.998 679 E CA 1.628 58.043 56.400 0.025 0.000 0.818 679 E CB -0.104 29.601 29.700 0.008 0.000 0.741 679 E HN 0.837 nan 8.360 nan 0.000 0.477 683 P HA 0.403 nan 4.420 nan 0.000 0.272 683 P C 1.098 178.547 177.300 0.248 0.000 1.230 683 P CA 0.651 63.989 63.100 0.396 0.000 0.788 683 P CB 0.278 32.199 31.700 0.368 0.000 0.949 684 G N -0.398 108.362 108.800 -0.066 0.000 2.187 684 G HA2 -0.054 3.895 3.960 -0.017 0.000 0.261 684 G HA3 -0.054 3.895 3.960 -0.017 0.000 0.261 684 G C 0.263 175.032 174.900 -0.220 0.000 1.000 684 G CA 0.365 45.084 45.100 -0.635 0.000 0.718 684 G HN 0.899 nan 8.290 nan 0.000 0.519 685 A N -1.241 121.714 122.820 0.225 0.000 2.430 685 A HA 0.990 5.300 4.320 -0.017 0.000 0.300 685 A C -0.448 177.327 177.584 0.318 0.000 1.124 685 A CA -0.059 52.122 52.037 0.240 0.000 0.766 685 A CB 1.862 20.947 19.000 0.141 0.000 1.328 685 A HN 1.343 nan 8.150 nan 0.000 0.424 686 M N 1.108 120.796 119.600 0.146 0.000 2.255 686 M HA 0.328 4.798 4.480 -0.017 0.000 0.275 686 M C -1.509 174.808 176.300 0.029 0.000 1.050 686 M CA 0.084 55.428 55.300 0.074 0.000 0.978 686 M CB 1.715 34.355 32.600 0.067 0.000 1.761 686 M HN 0.772 nan 8.290 nan 0.000 0.479 687 E N 3.100 123.308 120.200 0.013 0.000 2.331 687 E HA 0.202 4.542 4.350 -0.017 0.000 0.272 687 E C -0.031 176.609 176.600 0.066 0.000 1.036 687 E CA -0.349 56.034 56.400 -0.028 0.000 0.864 687 E CB 0.974 30.657 29.700 -0.028 0.000 1.035 687 E HN 0.747 nan 8.360 nan 0.000 0.408 688 H N 1.944 120.972 119.070 -0.070 0.000 2.312 688 H HA -0.155 4.391 4.556 -0.017 0.000 0.299 688 H C 1.947 177.251 175.328 -0.041 0.000 1.051 688 H CA 0.978 56.975 56.048 -0.085 0.000 1.227 688 H CB 0.192 29.902 29.762 -0.086 0.000 1.389 688 H HN 0.666 nan 8.280 nan 0.000 0.524 689 E N 1.335 121.626 120.200 0.152 0.000 2.273 689 E HA -0.205 4.134 4.350 -0.017 0.000 0.198 689 E C 2.203 178.896 176.600 0.154 0.000 1.002 689 E CA 0.879 57.354 56.400 0.125 0.000 0.828 689 E CB -0.114 29.646 29.700 0.099 0.000 0.747 689 E HN 0.378 nan 8.360 nan 0.000 0.491 690 L N 0.060 121.334 121.223 0.084 0.000 2.044 690 L HA -0.127 4.202 4.340 -0.017 0.000 0.205 690 L C 2.313 179.218 176.870 0.058 0.000 1.075 690 L CA 1.046 55.917 54.840 0.051 0.000 0.747 690 L CB -0.123 41.943 42.059 0.011 0.000 0.903 690 L HN -0.034 nan 8.230 nan 0.000 0.435 691 V N 0.011 119.940 119.914 0.024 0.000 2.427 691 V HA -0.257 3.852 4.120 -0.017 0.000 0.248 691 V C 2.552 178.635 176.094 -0.019 0.000 1.051 691 V CA 1.762 64.046 62.300 -0.026 0.000 1.048 691 V CB -0.598 31.179 31.823 -0.076 0.000 0.666 691 V HN 0.424 nan 8.190 nan 0.000 0.456 692 L N -0.726 120.499 121.223 0.004 0.000 2.013 692 L HA -0.263 4.066 4.340 -0.017 0.000 0.212 692 L C 2.584 179.423 176.870 -0.052 0.000 1.073 692 L CA 2.010 56.836 54.840 -0.023 0.000 0.753 692 L CB -0.687 41.376 42.059 0.007 0.000 0.890 692 L HN 0.389 nan 8.230 nan 0.000 0.432 693 H N -0.096 118.951 119.070 -0.039 0.000 2.251 693 H HA -0.235 4.310 4.556 -0.018 0.000 0.294 693 H C 2.423 177.718 175.328 -0.055 0.000 1.078 693 H CA 2.228 58.251 56.048 -0.041 0.000 1.246 693 H CB -0.121 29.620 29.762 -0.035 0.000 1.358 693 H HN 0.349 nan 8.280 nan 0.000 0.488 694 Q N -0.340 119.513 119.800 0.089 0.000 2.112 694 Q HA -0.193 4.137 4.340 -0.017 0.000 0.206 694 Q C 2.260 178.220 176.000 -0.067 0.000 0.987 694 Q CA 1.501 57.307 55.803 0.004 0.000 0.858 694 Q CB -0.354 28.371 28.738 -0.021 0.000 0.905 694 Q HN 0.319 nan 8.270 nan 0.000 0.420 695 L N 0.935 122.106 121.223 -0.087 0.000 2.127 695 L HA -0.191 4.139 4.340 -0.017 0.000 0.211 695 L C 2.403 179.198 176.870 -0.125 0.000 1.089 695 L CA 1.764 56.529 54.840 -0.125 0.000 0.757 695 L CB -0.422 41.568 42.059 -0.114 0.000 0.899 695 L HN 0.170 nan 8.230 nan 0.000 0.434 696 R N -2.077 118.354 120.500 -0.114 0.000 2.075 696 R HA -0.029 4.300 4.340 -0.017 0.000 0.226 696 R C 2.136 178.402 176.300 -0.057 0.000 1.114 696 R CA 1.502 57.541 56.100 -0.101 0.000 0.972 696 R CB -0.860 29.350 30.300 -0.150 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 -0.070 0.000 2.539 697 C HA 0.104 4.553 4.460 -0.017 0.000 0.268 697 C C 1.963 176.962 174.990 0.014 0.000 1.395 697 C CA 0.029 59.022 59.018 -0.042 0.000 1.757 697 C CB -1.449 26.285 27.740 -0.010 0.000 1.851 697 C HN 0.525 nan 8.230 nan 0.000 0.545 698 N N 0.219 118.863 118.700 -0.094 0.000 2.173 698 N HA 0.103 4.832 4.740 -0.017 0.000 0.184 698 N C 1.669 176.963 175.510 -0.359 0.000 1.025 698 N CA 1.295 54.212 53.050 -0.222 0.000 0.852 698 N CB 0.024 38.302 38.487 -0.348 0.000 0.998 698 N HN 0.552 nan 8.380 nan 0.000 0.427 699 G N -0.734 107.858 108.800 -0.346 0.000 2.255 699 G HA2 -0.215 3.734 3.960 -0.017 0.000 0.196 699 G HA3 -0.215 3.734 3.960 -0.017 0.000 0.196 699 G C 0.854 175.605 174.900 -0.247 0.000 0.998 699 G CA 0.172 45.041 45.100 -0.386 0.000 0.656 699 G HN 0.150 nan 8.290 nan 0.000 0.490 700 V N 0.755 120.436 119.914 -0.388 0.000 2.287 700 V HA -0.113 3.997 4.120 -0.017 0.000 0.248 700 V C 2.696 178.802 176.094 0.021 0.000 1.053 700 V CA 2.319 64.540 62.300 -0.131 0.000 1.027 700 V CB -0.307 31.364 31.823 -0.253 0.000 0.646 700 V HN 0.344 nan 8.190 nan 0.000 0.447 701 L N -0.672 120.516 121.223 -0.057 0.000 2.376 701 L HA -0.011 4.318 4.340 -0.017 0.000 0.219 701 L C 2.257 179.118 176.870 -0.014 0.000 1.133 701 L CA 1.534 56.352 54.840 -0.036 0.000 0.816 701 L CB -0.788 41.236 42.059 -0.059 0.000 0.933 701 L HN 0.350 nan 8.230 nan 0.000 0.449 702 E N -1.128 119.065 120.200 -0.012 0.000 2.318 702 E HA 0.009 4.349 4.350 -0.017 0.000 0.193 702 E C 1.960 178.578 176.600 0.030 0.000 0.998 702 E CA 0.690 57.086 56.400 -0.007 0.000 0.859 702 E CB 0.242 29.913 29.700 -0.049 0.000 0.812 702 E HN 0.482 nan 8.360 nan 0.000 0.492 703 G N 0.726 109.598 108.800 0.119 0.000 2.464 703 G HA2 -0.149 3.801 3.960 -0.017 0.000 0.217 703 G HA3 -0.149 3.801 3.960 -0.017 0.000 0.217 703 G C 1.482 176.399 174.900 0.028 0.000 1.138 703 G CA 0.039 45.228 45.100 0.149 0.000 0.793 703 G HN 0.086 nan 8.290 nan 0.000 0.539 704 I N 0.323 120.912 120.570 0.032 0.000 2.286 704 I HA 0.116 4.276 4.170 -0.017 0.000 0.245 704 I C 2.694 178.789 176.117 -0.037 0.000 1.104 704 I CA 0.509 61.807 61.300 -0.004 0.000 1.397 704 I CB -0.331 37.665 38.000 -0.006 0.000 1.072 704 I HN -0.029 nan 8.210 nan 0.000 0.417 705 R N 0.443 120.919 120.500 -0.039 0.000 2.103 705 R HA -0.134 4.195 4.340 -0.017 0.000 0.234 705 R C 2.262 178.509 176.300 -0.088 0.000 1.132 705 R CA 1.842 57.914 56.100 -0.046 0.000 0.925 705 R CB -0.613 29.669 30.300 -0.031 0.000 0.842 705 R HN 0.248 nan 8.270 nan 0.000 0.430 706 I N -0.315 120.148 120.570 -0.179 0.000 2.423 706 I HA -0.383 3.776 4.170 -0.017 0.000 0.254 706 I C 2.187 178.135 176.117 -0.282 0.000 1.151 706 I CA 0.827 61.889 61.300 -0.397 0.000 1.421 706 I CB -0.224 37.372 38.000 -0.675 0.000 1.079 706 I HN 0.371 nan 8.210 nan 0.000 0.431 707 C N 0.580 119.791 119.300 -0.149 0.000 2.518 707 C HA -0.110 4.340 4.460 -0.017 0.000 0.279 707 C C 2.817 177.813 174.990 0.010 0.000 1.279 707 C CA 0.680 59.668 59.018 -0.051 0.000 1.703 707 C CB -0.885 26.853 27.740 -0.003 0.000 2.072 707 C HN 0.516 nan 8.230 nan 0.000 0.487 708 R N 0.889 121.376 120.500 -0.021 0.000 2.369 708 R HA 0.009 4.339 4.340 -0.017 0.000 0.200 708 R C 0.039 176.328 176.300 -0.018 0.000 1.046 708 R CA 0.837 56.922 56.100 -0.026 0.000 1.057 708 R CB -0.311 29.956 30.300 -0.055 0.000 0.888 708 R HN 0.425 nan 8.270 nan 0.000 0.474 709 K N 0.740 121.144 120.400 0.007 0.000 2.281 709 K HA 0.390 4.700 4.320 -0.017 0.000 0.272 709 K C -0.277 176.362 176.600 0.065 0.000 1.048 709 K CA 0.171 56.499 56.287 0.068 0.000 0.898 709 K CB 1.792 34.376 32.500 0.139 0.000 1.128 709 K HN 0.397 nan 8.250 nan 0.000 0.460 710 G N 2.600 111.229 108.800 -0.285 0.000 2.181 710 G HA2 -0.095 3.855 3.960 -0.017 0.000 0.098 710 G HA3 -0.095 3.855 3.960 -0.017 0.000 0.098 710 G C -1.534 172.795 174.900 -0.952 0.000 1.237 710 G CA -0.911 43.819 45.100 -0.616 0.000 1.238 710 G HN 0.362 nan 8.290 nan 0.000 0.468 711 F N 3.159 122.954 119.950 -0.258 0.000 2.363 711 F HA 0.482 4.999 4.527 -0.017 0.000 0.366 711 F C -1.292 174.491 175.800 -0.027 0.000 1.083 711 F CA -1.480 56.451 58.000 -0.115 0.000 1.176 711 F CB 1.976 41.007 39.000 0.051 0.000 1.432 711 F HN 0.134 nan 8.300 nan 0.000 0.482 712 P HA -0.135 nan 4.420 nan 0.000 0.203 712 P C 0.106 177.353 177.300 -0.089 0.000 0.967 712 P CA 0.976 64.033 63.100 -0.072 0.000 0.946 712 P CB -0.270 31.356 31.700 -0.123 0.000 0.690 713 S N 1.278 116.921 115.700 -0.096 0.000 2.544 713 S HA 0.127 4.586 4.470 -0.017 0.000 0.290 713 S C 0.339 174.879 174.600 -0.100 0.000 1.276 713 S CA -0.231 57.903 58.200 -0.110 0.000 1.075 713 S CB -0.519 62.638 63.200 -0.073 0.000 0.849 713 S HN 0.181 nan 8.310 nan 0.000 0.494 714 R N 1.348 121.700 120.500 -0.248 0.000 2.473 714 R HA 0.526 4.855 4.340 -0.017 0.000 0.303 714 R C -1.674 174.472 176.300 -0.257 0.000 1.002 714 R CA -0.821 54.996 56.100 -0.471 0.000 0.884 714 R CB 0.790 30.476 30.300 -1.023 0.000 1.173 714 R HN 0.409 nan 8.270 nan 0.000 0.464 715 V N 4.478 124.326 119.914 -0.109 0.000 2.465 715 V HA 0.220 4.330 4.120 -0.017 0.000 0.279 715 V C 0.369 176.400 176.094 -0.104 0.000 1.045 715 V CA -0.838 61.501 62.300 0.066 0.000 0.938 715 V CB 1.503 33.496 31.823 0.284 0.000 0.986 715 V HN 0.607 nan 8.190 nan 0.000 0.467 716 L N 4.450 125.716 121.223 0.072 0.000 2.380 716 L HA 0.258 4.587 4.340 -0.017 0.000 0.273 716 L C 0.865 177.804 176.870 0.114 0.000 1.138 716 L CA 0.235 55.094 54.840 0.032 0.000 0.832 716 L CB 0.575 42.724 42.059 0.149 0.000 1.124 716 L HN 0.630 nan 8.230 nan 0.000 0.454 717 Y N 3.312 123.696 120.300 0.140 0.000 2.062 717 Y HA -0.379 4.160 4.550 -0.017 0.000 0.276 717 Y C 2.228 178.240 175.900 0.186 0.000 1.189 717 Y CA 2.108 60.307 58.100 0.165 0.000 1.130 717 Y CB -0.867 37.660 38.460 0.110 0.000 0.959 717 Y HN 0.794 nan 8.280 nan 0.000 0.499 718 A N -0.171 122.811 122.820 0.269 0.000 1.898 718 A HA -0.189 4.120 4.320 -0.017 0.000 0.216 718 A C 1.815 179.456 177.584 0.095 0.000 1.181 718 A CA 1.908 54.024 52.037 0.132 0.000 0.620 718 A CB -0.929 18.118 19.000 0.078 0.000 0.819 718 A HN 0.447 nan 8.150 nan 0.000 0.442 719 D N -1.787 118.674 120.400 0.101 0.000 2.311 719 D HA -0.097 4.533 4.640 -0.017 0.000 0.212 719 D C 1.297 177.669 176.300 0.119 0.000 0.972 719 D CA 0.990 55.005 54.000 0.025 0.000 0.887 719 D CB -0.158 40.622 40.800 -0.034 0.000 0.915 719 D HN 0.520 nan 8.370 nan 0.000 0.497 720 F N 0.469 120.480 119.950 0.101 0.000 2.446 720 F HA 0.190 4.707 4.527 -0.017 0.000 0.292 720 F C 1.912 177.832 175.800 0.200 0.000 1.096 720 F CA 0.569 58.682 58.000 0.188 0.000 1.438 720 F CB 0.207 39.316 39.000 0.181 0.000 1.107 720 F HN -0.304 nan 8.300 nan 0.000 0.546 721 K N 0.405 120.895 120.400 0.151 0.000 1.963 721 K HA -0.269 4.041 4.320 -0.017 0.000 0.216 721 K C 2.170 178.702 176.600 -0.114 0.000 1.045 721 K CA 1.897 58.180 56.287 -0.006 0.000 0.954 721 K CB -0.529 31.918 32.500 -0.088 0.000 0.732 721 K HN 0.297 nan 8.250 nan 0.000 0.442 722 Q N 0.702 120.431 119.800 -0.119 0.000 2.045 722 Q HA -0.309 4.020 4.340 -0.017 0.000 0.215 722 Q C 2.057 177.951 176.000 -0.177 0.000 1.026 722 Q CA 2.293 58.020 55.803 -0.127 0.000 0.885 722 Q CB -0.225 28.449 28.738 -0.107 0.000 0.984 722 Q HN 0.177 nan 8.270 nan 0.000 0.414 723 R N -1.391 118.955 120.500 -0.257 0.000 2.152 723 R HA -0.126 4.204 4.340 -0.017 0.000 0.232 723 R C 0.934 176.799 176.300 -0.726 0.000 1.117 723 R CA 1.602 57.403 56.100 -0.498 0.000 0.981 723 R CB 0.095 30.015 30.300 -0.633 0.000 0.870 723 R HN 0.525 nan 8.270 nan 0.000 0.451 724 Y N -1.796 118.295 120.300 -0.349 0.000 2.527 724 Y HA 0.233 4.773 4.550 -0.017 0.000 0.247 724 Y C 1.825 177.599 175.900 -0.209 0.000 1.138 724 Y CA -0.509 57.384 58.100 -0.346 0.000 1.228 724 Y CB 0.122 38.208 38.460 -0.623 0.000 1.252 724 Y HN -0.140 nan 8.280 nan 0.000 0.531 725 R N 0.693 121.173 120.500 -0.033 0.000 2.159 725 R HA -0.211 4.119 4.340 -0.017 0.000 0.252 725 R C 1.579 177.914 176.300 0.060 0.000 1.144 725 R CA 2.278 58.403 56.100 0.041 0.000 0.961 725 R CB -0.604 29.738 30.300 0.069 0.000 0.877 725 R HN 0.212 nan 8.270 nan 0.000 0.444 726 V N 1.370 121.297 119.914 0.023 0.000 2.764 726 V HA -0.254 3.855 4.120 -0.017 0.000 0.261 726 V C 2.167 178.278 176.094 0.030 0.000 1.108 726 V CA 1.519 63.829 62.300 0.018 0.000 1.129 726 V CB -0.470 31.338 31.823 -0.024 0.000 0.701 726 V HN 0.333 nan 8.190 nan 0.000 0.495 727 L N -0.614 120.637 121.223 0.046 0.000 2.179 727 L HA 0.023 4.353 4.340 -0.017 0.000 0.208 727 L C 1.634 178.540 176.870 0.060 0.000 1.096 727 L CA 1.476 56.350 54.840 0.056 0.000 0.779 727 L CB -0.118 41.987 42.059 0.076 0.000 0.922 727 L HN 0.371 nan 8.230 nan 0.000 0.443 728 N N -1.291 117.451 118.700 0.070 0.000 2.595 728 N HA 0.149 4.878 4.740 -0.017 0.000 0.291 728 N C 1.102 176.659 175.510 0.079 0.000 1.706 728 N CA 0.546 53.640 53.050 0.073 0.000 0.867 728 N CB 0.689 39.227 38.487 0.085 0.000 1.414 728 N HN 0.121 nan 8.380 nan 0.000 0.492 729 A N 0.747 123.610 122.820 0.071 0.000 1.836 729 A HA -0.418 3.891 4.320 -0.017 0.000 0.269 729 A C 2.214 179.852 177.584 0.091 0.000 2.597 729 A CA 3.121 55.204 52.037 0.076 0.000 0.810 729 A CB -1.383 17.648 19.000 0.052 0.000 0.833 729 A HN 0.608 nan 8.150 nan 0.000 0.542 730 S N -0.413 115.328 115.700 0.068 0.000 2.348 730 S HA 0.098 4.557 4.470 -0.017 0.000 0.221 730 S C 2.101 176.751 174.600 0.084 0.000 1.033 730 S CA 1.842 60.077 58.200 0.058 0.000 1.010 730 S CB -0.915 62.309 63.200 0.041 0.000 0.891 730 S HN 1.507 nan 8.310 nan 0.000 0.442 731 A N 0.863 123.737 122.820 0.089 0.000 2.072 731 A HA 0.388 4.698 4.320 -0.017 0.000 0.216 731 A C 2.126 179.788 177.584 0.131 0.000 1.156 731 A CA 0.538 52.635 52.037 0.100 0.000 0.701 731 A CB -0.538 18.516 19.000 0.090 0.000 0.816 731 A HN 0.560 nan 8.150 nan 0.000 0.458 732 I N -0.019 120.636 120.570 0.142 0.000 2.585 732 I HA -0.038 4.121 4.170 -0.017 0.000 0.254 732 I C -0.736 175.503 176.117 0.203 0.000 1.129 732 I CA 0.430 61.827 61.300 0.162 0.000 1.455 732 I CB -0.742 37.342 38.000 0.140 0.000 1.111 732 I HN 0.170 nan 8.210 nan 0.000 0.433 733 P HA -0.137 nan 4.420 nan 0.000 0.216 733 P C 1.283 179.070 177.300 0.812 0.000 1.153 733 P CA 1.466 64.941 63.100 0.625 0.000 0.844 733 P CB -0.036 31.965 31.700 0.502 0.000 0.787 734 E N -0.288 120.138 120.200 0.377 0.000 2.085 734 E HA -0.133 4.206 4.350 -0.017 0.000 0.194 734 E C 2.356 179.116 176.600 0.266 0.000 0.994 734 E CA 1.411 57.972 56.400 0.269 0.000 0.801 734 E CB -0.956 28.819 29.700 0.126 0.000 0.743 734 E HN 0.261 nan 8.360 nan 0.000 0.453 735 G N 1.108 110.028 108.800 0.201 0.000 2.421 735 G HA2 -0.304 3.646 3.960 -0.017 0.000 0.216 735 G HA3 -0.304 3.646 3.960 -0.017 0.000 0.216 735 G C 1.437 176.394 174.900 0.096 0.000 1.171 735 G CA 0.647 45.825 45.100 0.130 0.000 0.775 735 G HN 0.197 nan 8.290 nan 0.000 0.543 736 Q N -0.635 119.204 119.800 0.066 0.000 2.119 736 Q HA -0.010 4.320 4.340 -0.017 0.000 0.201 736 Q C 2.312 178.194 176.000 -0.197 0.000 0.972 736 Q CA 1.058 56.793 55.803 -0.114 0.000 0.847 736 Q CB -0.192 28.360 28.738 -0.311 0.000 0.903 736 Q HN 0.598 nan 8.270 nan 0.000 0.433 737 F N -0.310 119.666 119.950 0.044 0.000 2.234 737 F HA -0.074 4.442 4.527 -0.017 0.000 0.296 737 F C 2.188 178.000 175.800 0.020 0.000 1.089 737 F CA 0.591 58.609 58.000 0.031 0.000 1.343 737 F CB -0.125 38.890 39.000 0.025 0.000 1.040 737 F HN 0.042 nan 8.300 nan 0.000 0.498 738 M N -0.727 119.000 119.600 0.212 0.000 2.254 738 M HA -0.003 4.466 4.480 -0.017 0.000 0.265 738 M C -0.278 176.053 176.300 0.053 0.000 1.066 738 M CA 1.216 56.585 55.300 0.114 0.000 1.123 738 M CB -0.870 31.788 32.600 0.097 0.000 1.388 738 M HN 0.014 nan 8.290 nan 0.000 0.425 739 D N -0.842 119.574 120.400 0.027 0.000 2.452 739 D HA 0.169 4.799 4.640 -0.017 0.000 0.226 739 D C 0.499 176.764 176.300 -0.059 0.000 1.366 739 D CA -0.004 53.983 54.000 -0.021 0.000 0.986 739 D CB 1.142 41.910 40.800 -0.053 0.000 1.420 739 D HN -0.083 nan 8.370 nan 0.000 0.583 740 S N 3.624 119.295 115.700 -0.049 0.000 2.409 740 S HA -0.297 4.162 4.470 -0.017 0.000 0.237 740 S C 1.520 176.038 174.600 -0.136 0.000 1.060 740 S CA 2.450 60.619 58.200 -0.052 0.000 1.052 740 S CB 0.042 63.239 63.200 -0.004 0.000 0.871 740 S HN 0.601 nan 8.310 nan 0.000 0.465 741 K N 0.258 120.488 120.400 -0.283 0.000 2.161 741 K HA 0.178 4.487 4.320 -0.017 0.000 0.205 741 K C 2.241 178.529 176.600 -0.519 0.000 1.035 741 K CA 0.593 56.420 56.287 -0.767 0.000 0.970 741 K CB -0.552 31.542 32.500 -0.677 0.000 0.866 741 K HN 0.167 nan 8.250 nan 0.000 0.461 742 K N 0.565 120.799 120.400 -0.278 0.000 2.242 742 K HA -0.213 4.097 4.320 -0.017 0.000 0.206 742 K C 1.826 178.378 176.600 -0.080 0.000 1.045 742 K CA 1.340 57.529 56.287 -0.163 0.000 0.930 742 K CB -0.257 32.183 32.500 -0.099 0.000 0.726 742 K HN 0.359 nan 8.250 nan 0.000 0.462 743 A N 0.753 123.540 122.820 -0.055 0.000 1.834 743 A HA -0.184 4.125 4.320 -0.017 0.000 0.216 743 A C 2.129 179.789 177.584 0.126 0.000 1.203 743 A CA 2.277 54.338 52.037 0.040 0.000 0.621 743 A CB -1.020 17.995 19.000 0.025 0.000 0.841 743 A HN 0.417 nan 8.150 nan 0.000 0.446 744 S N 0.021 115.836 115.700 0.191 0.000 2.407 744 S HA -0.234 4.226 4.470 -0.017 0.000 0.235 744 S C 1.832 176.645 174.600 0.354 0.000 1.036 744 S CA 1.482 59.922 58.200 0.400 0.000 1.013 744 S CB -0.434 63.096 63.200 0.549 0.000 0.820 744 S HN 0.582 nan 8.310 nan 0.000 0.476 745 E N 1.243 121.585 120.200 0.236 0.000 2.005 745 E HA -0.167 4.172 4.350 -0.017 0.000 0.198 745 E C 2.178 178.883 176.600 0.174 0.000 1.010 745 E CA 1.207 57.711 56.400 0.173 0.000 0.825 745 E CB -0.258 29.356 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 -0.172 4.137 4.320 -0.017 0.000 0.210 746 K C 2.271 178.968 176.600 0.161 0.000 1.048 746 K CA 1.022 57.374 56.287 0.108 0.000 0.926 746 K CB -0.594 31.955 32.500 0.081 0.000 0.714 746 K HN 0.076 nan 8.250 nan 0.000 0.448 747 L N 0.108 121.451 121.223 0.200 0.000 1.990 747 L HA -0.214 4.115 4.340 -0.017 0.000 0.213 747 L C 1.760 178.752 176.870 0.203 0.000 1.072 747 L CA 1.388 56.356 54.840 0.213 0.000 0.755 747 L CB -0.235 41.985 42.059 0.268 0.000 0.889 747 L HN 0.183 nan 8.230 nan 0.000 0.432 748 L N 0.056 121.413 121.223 0.223 0.000 2.651 748 L HA -0.151 4.178 4.340 -0.017 0.000 0.236 748 L C 2.367 179.368 176.870 0.219 0.000 1.173 748 L CA 1.057 55.973 54.840 0.127 0.000 0.843 748 L CB -1.168 40.865 42.059 -0.045 0.000 0.964 748 L HN 0.365 nan 8.230 nan 0.000 0.454 749 G N -0.387 108.564 108.800 0.253 0.000 2.513 749 G HA2 -0.176 3.773 3.960 -0.017 0.000 0.219 749 G HA3 -0.176 3.773 3.960 -0.017 0.000 0.219 749 G C 0.969 176.045 174.900 0.294 0.000 1.160 749 G CA 0.724 45.984 45.100 0.268 0.000 0.767 749 G HN 0.490 nan 8.290 nan 0.000 0.571 750 G N -1.673 107.251 108.800 0.207 0.000 2.547 750 G HA2 0.620 4.570 3.960 -0.017 0.000 0.291 750 G HA3 0.620 4.570 3.960 -0.017 0.000 0.291 750 G C 0.177 175.181 174.900 0.173 0.000 1.211 750 G CA 0.206 45.413 45.100 0.179 0.000 0.950 750 G HN 1.475 nan 8.290 nan 0.000 0.504 751 G N -0.676 108.214 108.800 0.150 0.000 2.770 751 G HA2 0.165 4.115 3.960 -0.017 0.000 0.686 751 G HA3 0.165 4.115 3.960 -0.017 0.000 0.686 751 G C -0.253 174.751 174.900 0.173 0.000 1.180 751 G CA 0.212 45.384 45.100 0.121 0.000 0.767 751 G HN 1.138 nan 8.290 nan 0.000 0.646 752 D N -0.087 120.388 120.400 0.126 0.000 2.870 752 D HA 0.339 4.968 4.640 -0.017 0.000 0.241 752 D C 1.084 177.471 176.300 0.145 0.000 1.234 752 D CA 0.303 54.385 54.000 0.136 0.000 0.844 752 D CB -0.038 40.816 40.800 0.090 0.000 1.051 752 D HN 0.750 nan 8.370 nan 0.000 0.469 753 V N -1.797 118.220 119.914 0.172 0.000 2.644 753 V HA 0.290 4.400 4.120 -0.017 0.000 0.295 753 V C 0.737 176.982 176.094 0.252 0.000 1.053 753 V CA -1.124 61.255 62.300 0.133 0.000 0.987 753 V CB 1.456 33.279 31.823 0.001 0.000 1.006 753 V HN 0.098 nan 8.190 nan 0.000 0.472 754 D N 1.656 122.187 120.400 0.219 0.000 2.349 754 D HA 0.057 4.686 4.640 -0.017 0.000 0.266 754 D C 0.471 176.973 176.300 0.337 0.000 1.293 754 D CA 0.222 54.373 54.000 0.252 0.000 0.926 754 D CB 0.467 41.363 40.800 0.160 0.000 1.090 754 D HN 0.705 nan 8.370 nan 0.000 0.502 755 H N 1.072 120.255 119.070 0.189 0.000 2.562 755 H HA 0.011 4.556 4.556 -0.017 0.000 0.274 755 H C 1.479 176.539 175.328 -0.447 0.000 1.038 755 H CA 0.414 56.495 56.048 0.054 0.000 1.161 755 H CB 0.334 30.190 29.762 0.157 0.000 1.318 755 H HN 0.259 nan 8.280 nan 0.000 0.617 756 T N -0.229 114.245 114.554 -0.133 0.000 2.914 756 T HA -0.092 4.247 4.350 -0.017 0.000 0.240 756 T C 1.791 176.410 174.700 -0.135 0.000 1.025 756 T CA 0.245 62.267 62.100 -0.130 0.000 1.198 756 T CB 0.035 68.907 68.868 0.008 0.000 0.892 756 T HN 0.253 nan 8.240 nan 0.000 0.417 757 Q N 1.213 121.041 119.800 0.046 0.000 2.480 757 Q HA -0.144 4.186 4.340 -0.017 0.000 0.217 757 Q C 0.260 176.434 176.000 0.291 0.000 0.993 757 Q CA 1.288 57.208 55.803 0.195 0.000 0.908 757 Q CB -0.868 28.003 28.738 0.221 0.000 0.927 757 Q HN 0.790 nan 8.270 nan 0.000 0.471 758 Y N -2.468 117.777 120.300 -0.092 0.000 2.686 758 Y HA 0.805 5.345 4.550 -0.017 0.000 0.330 758 Y C -0.559 174.974 175.900 -0.611 0.000 1.082 758 Y CA -2.008 55.804 58.100 -0.480 0.000 1.158 758 Y CB 1.044 38.932 38.460 -0.953 0.000 1.333 758 Y HN -0.106 nan 8.280 nan 0.000 0.519 759 A N 0.764 123.168 122.820 -0.693 0.000 2.565 759 A HA 0.645 4.954 4.320 -0.017 0.000 0.298 759 A C -2.089 175.229 177.584 -0.444 0.000 1.062 759 A CA -0.791 50.918 52.037 -0.546 0.000 0.723 759 A CB 0.140 18.790 19.000 -0.584 0.000 1.282 759 A HN 0.562 nan 8.150 nan 0.000 0.400 760 F N 0.979 120.842 119.950 -0.145 0.000 2.450 760 F HA 0.889 5.406 4.527 -0.017 0.000 0.328 760 F C 1.095 176.879 175.800 -0.027 0.000 1.068 760 F CA -0.026 57.957 58.000 -0.029 0.000 1.007 760 F CB 2.085 41.137 39.000 0.086 0.000 1.251 760 F HN 0.971 nan 8.300 nan 0.000 0.492 761 G N -1.583 107.401 108.800 0.305 0.000 2.601 761 G HA2 0.283 4.233 3.960 -0.017 0.000 0.291 761 G HA3 0.283 4.233 3.960 -0.017 0.000 0.291 761 G C -0.347 174.736 174.900 0.305 0.000 1.456 761 G CA -0.688 44.505 45.100 0.154 0.000 0.804 761 G HN 0.805 nan 8.290 nan 0.000 0.499 762 H N -0.787 118.379 119.070 0.159 0.000 2.456 762 H HA -0.161 4.385 4.556 -0.017 0.000 0.288 762 H C 1.173 176.638 175.328 0.229 0.000 1.130 762 H CA 1.556 57.702 56.048 0.162 0.000 1.173 762 H CB -0.238 29.580 29.762 0.093 0.000 1.350 762 H HN 0.424 nan 8.280 nan 0.000 0.498 766 F N 2.678 122.207 119.950 -0.702 0.000 2.480 766 F HA 0.905 5.422 4.527 -0.017 0.000 0.329 766 F C -0.277 175.203 175.800 -0.533 0.000 1.091 766 F CA -0.588 57.126 58.000 -0.477 0.000 0.972 766 F CB 1.712 40.435 39.000 -0.462 0.000 1.150 766 F HN 0.312 nan 8.300 nan 0.000 0.467 770 G N -0.464 108.282 108.800 -0.090 0.000 3.575 770 G HA2 0.456 4.405 3.960 -0.017 0.000 0.273 770 G HA3 0.456 4.405 3.960 -0.017 0.000 0.273 770 G C 0.784 175.657 174.900 -0.046 0.000 1.053 770 G CA 0.852 45.916 45.100 -0.061 0.000 0.803 770 G HN 0.520 nan 8.290 nan 0.000 0.528 771 L N -0.343 120.847 121.223 -0.055 0.000 2.185 771 L HA 0.389 4.719 4.340 -0.017 0.000 0.198 771 L C 2.420 179.272 176.870 -0.030 0.000 1.079 771 L CA 0.795 55.614 54.840 -0.034 0.000 0.780 771 L CB -0.232 41.811 42.059 -0.027 0.000 0.955 771 L HN 0.101 nan 8.230 nan 0.000 0.462 772 L N 0.358 121.550 121.223 -0.052 0.000 2.129 772 L HA -0.150 4.179 4.340 -0.017 0.000 0.212 772 L C 2.383 179.245 176.870 -0.012 0.000 1.087 772 L CA 2.008 56.827 54.840 -0.036 0.000 0.757 772 L CB -1.556 40.458 42.059 -0.074 0.000 0.896 772 L HN 0.422 nan 8.230 nan 0.000 0.434 773 G N -1.350 107.435 108.800 -0.025 0.000 2.418 773 G HA2 -0.256 3.693 3.960 -0.017 0.000 0.217 773 G HA3 -0.256 3.693 3.960 -0.017 0.000 0.217 773 G C 1.681 176.578 174.900 -0.005 0.000 1.158 773 G CA 0.764 45.857 45.100 -0.013 0.000 0.771 773 G HN 0.318 nan 8.290 nan 0.000 0.545 774 L N -0.266 120.952 121.223 -0.009 0.000 2.027 774 L HA 0.044 4.374 4.340 -0.017 0.000 0.206 774 L C 2.722 179.595 176.870 0.006 0.000 1.074 774 L CA 0.882 55.721 54.840 -0.002 0.000 0.745 774 L CB -0.418 41.639 42.059 -0.003 0.000 0.898 774 L HN 0.097 nan 8.230 nan 0.000 0.433 775 L N -0.539 120.688 121.223 0.007 0.000 1.951 775 L HA -0.296 4.033 4.340 -0.017 0.000 0.222 775 L C 2.603 179.487 176.870 0.024 0.000 1.078 775 L CA 1.770 56.620 54.840 0.016 0.000 0.778 775 L CB -1.300 40.770 42.059 0.018 0.000 0.893 775 L HN 0.288 nan 8.230 nan 0.000 0.436 776 E N -0.375 119.843 120.200 0.030 0.000 2.136 776 E HA -0.324 4.016 4.350 -0.017 0.000 0.208 776 E C 2.107 178.725 176.600 0.030 0.000 1.035 776 E CA 1.744 58.167 56.400 0.039 0.000 0.838 776 E CB -0.318 29.406 29.700 0.041 0.000 0.748 776 E HN 0.661 nan 8.360 nan 0.000 0.459 777 E N 0.168 120.380 120.200 0.019 0.000 2.049 777 E HA -0.222 4.117 4.350 -0.017 0.000 0.198 777 E C 2.228 178.838 176.600 0.017 0.000 1.007 777 E CA 1.601 58.010 56.400 0.015 0.000 0.809 777 E CB -0.165 29.541 29.700 0.009 0.000 0.749 777 E HN 0.231 nan 8.360 nan 0.000 0.450 778 M N 0.246 119.856 119.600 0.017 0.000 2.108 778 M HA -0.189 4.281 4.480 -0.017 0.000 0.261 778 M C 2.714 179.026 176.300 0.022 0.000 1.066 778 M CA 1.767 57.078 55.300 0.017 0.000 1.107 778 M CB -0.382 32.228 32.600 0.016 0.000 1.356 778 M HN 0.124 nan 8.290 nan 0.000 0.406 779 R N 0.642 121.158 120.500 0.027 0.000 2.083 779 R HA -0.193 4.136 4.340 -0.017 0.000 0.237 779 R C 1.549 177.869 176.300 0.034 0.000 1.137 779 R CA 2.127 58.248 56.100 0.034 0.000 0.951 779 R CB -0.359 29.967 30.300 0.044 0.000 0.851 779 R HN 0.281 nan 8.270 nan 0.000 0.434 780 D N 0.869 121.288 120.400 0.032 0.000 2.126 780 D HA -0.138 4.491 4.640 -0.017 0.000 0.190 780 D C 0.272 176.587 176.300 0.026 0.000 1.001 780 D CA 1.294 55.312 54.000 0.031 0.000 0.841 780 D CB -0.579 40.236 40.800 0.025 0.000 0.949 780 D HN 0.280 nan 8.370 nan 0.000 0.446 784 A N 0.199 123.032 122.820 0.022 0.000 1.883 784 A HA -0.218 4.091 4.320 -0.017 0.000 0.217 784 A C 2.003 179.597 177.584 0.017 0.000 1.186 784 A CA 2.368 54.417 52.037 0.019 0.000 0.624 784 A CB -0.322 18.688 19.000 0.017 0.000 0.822 784 A HN 0.398 nan 8.150 nan 0.000 0.444 785 E N -0.015 120.194 120.200 0.016 0.000 1.995 785 E HA -0.185 4.155 4.350 -0.017 0.000 0.207 785 E C 1.817 178.425 176.600 0.013 0.000 1.016 785 E CA 1.543 57.951 56.400 0.013 0.000 0.865 785 E CB -0.510 29.198 29.700 0.013 0.000 0.797 785 E HN 0.534 nan 8.360 nan 0.000 0.491 786 I N 0.385 120.964 120.570 0.014 0.000 2.181 786 I HA -0.349 3.810 4.170 -0.017 0.000 0.247 786 I C 2.389 178.514 176.117 0.014 0.000 1.081 786 I CA 1.273 62.581 61.300 0.014 0.000 1.340 786 I CB -0.314 37.696 38.000 0.016 0.000 1.036 786 I HN 0.233 nan 8.210 nan 0.000 0.417 787 I N -0.145 120.436 120.570 0.017 0.000 2.188 787 I HA -0.252 3.908 4.170 -0.017 0.000 0.237 787 I C 2.521 178.647 176.117 0.016 0.000 1.073 787 I CA 1.514 62.825 61.300 0.018 0.000 1.359 787 I CB -0.464 37.550 38.000 0.023 0.000 1.083 787 I HN 0.186 nan 8.210 nan 0.000 0.412 788 T N 1.194 115.758 114.554 0.017 0.000 2.684 788 T HA -0.311 4.029 4.350 -0.017 0.000 0.267 788 T C 1.818 176.527 174.700 0.014 0.000 1.032 788 T CA 1.882 63.991 62.100 0.016 0.000 1.155 788 T CB -0.412 68.465 68.868 0.015 0.000 0.857 788 T HN 0.531 nan 8.240 nan 0.000 0.457 789 A N 0.559 123.386 122.820 0.012 0.000 1.929 789 A HA -0.051 4.259 4.320 -0.017 0.000 0.216 789 A C 2.526 180.116 177.584 0.009 0.000 1.176 789 A CA 1.805 53.849 52.037 0.011 0.000 0.628 789 A CB -0.841 18.164 19.000 0.008 0.000 0.816 789 A HN 0.473 nan 8.150 nan 0.000 0.444 790 T N -0.092 114.466 114.554 0.007 0.000 3.055 790 T HA -0.057 4.283 4.350 -0.017 0.000 0.265 790 T C 1.947 176.650 174.700 0.005 0.000 1.111 790 T CA 1.169 63.269 62.100 0.001 0.000 1.118 790 T CB -0.091 68.776 68.868 -0.002 0.000 0.909 790 T HN 0.564 nan 8.240 nan 0.000 0.501 791 Q N 0.935 120.743 119.800 0.014 0.000 1.969 791 Q HA 0.007 4.336 4.340 -0.017 0.000 0.198 791 Q C 2.838 178.855 176.000 0.028 0.000 0.978 791 Q CA 1.253 57.069 55.803 0.021 0.000 0.830 791 Q CB -0.438 28.314 28.738 0.023 0.000 0.896 791 Q HN 0.497 nan 8.270 nan 0.000 0.431 792 A N 1.937 124.773 122.820 0.027 0.000 1.887 792 A HA -0.390 3.920 4.320 -0.017 0.000 0.225 792 A C 2.052 179.664 177.584 0.046 0.000 1.464 792 A CA 2.692 54.748 52.037 0.032 0.000 0.717 792 A CB -0.974 18.040 19.000 0.024 0.000 0.848 792 A HN 0.317 nan 8.150 nan 0.000 0.477 793 R N -0.143 120.380 120.500 0.039 0.000 2.112 793 R HA -0.195 4.135 4.340 -0.017 0.000 0.242 793 R C 2.078 178.437 176.300 0.099 0.000 1.137 793 R CA 2.568 58.699 56.100 0.053 0.000 0.944 793 R CB -1.756 28.553 30.300 0.016 0.000 0.857 793 R HN 0.655 nan 8.270 nan 0.000 0.435 794 C N 0.343 119.679 119.300 0.059 0.000 2.359 794 C HA -0.127 4.322 4.460 -0.017 0.000 0.277 794 C C 2.627 177.730 174.990 0.189 0.000 1.192 794 C CA 1.359 60.435 59.018 0.096 0.000 1.759 794 C CB -1.110 26.654 27.740 0.040 0.000 2.038 794 C HN 0.545 nan 8.230 nan 0.000 0.448 795 R N 0.601 121.169 120.500 0.112 0.000 2.115 795 R HA -0.150 4.179 4.340 -0.017 0.000 0.239 795 R C 2.422 178.781 176.300 0.099 0.000 1.133 795 R CA 2.099 58.254 56.100 0.091 0.000 0.935 795 R CB -1.303 29.031 30.300 0.057 0.000 0.853 795 R HN 0.687 nan 8.270 nan 0.000 0.433 796 G N 1.134 109.993 108.800 0.098 0.000 2.679 796 G HA2 -0.355 3.594 3.960 -0.017 0.000 0.217 796 G HA3 -0.355 3.594 3.960 -0.017 0.000 0.217 796 G C 1.254 176.220 174.900 0.109 0.000 1.267 796 G CA 1.022 46.171 45.100 0.083 0.000 0.799 796 G HN 0.390 nan 8.290 nan 0.000 0.606 797 F N 0.707 120.657 119.950 0.001 0.000 2.176 797 F HA -0.169 4.348 4.527 -0.017 0.000 0.301 797 F C 2.307 178.113 175.800 0.009 0.000 1.071 797 F CA 1.528 59.530 58.000 0.004 0.000 1.289 797 F CB -0.216 38.787 39.000 0.005 0.000 1.028 797 F HN 0.089 nan 8.300 nan 0.000 0.494 798 L N -0.072 121.237 121.223 0.143 0.000 2.046 798 L HA -0.220 4.110 4.340 -0.017 0.000 0.208 798 L C 2.468 179.265 176.870 -0.122 0.000 1.077 798 L CA 1.853 56.696 54.840 0.005 0.000 0.747 798 L CB -0.768 41.364 42.059 0.122 0.000 0.896 798 L HN 0.250 nan 8.230 nan 0.000 0.432 799 M N -1.889 117.674 119.600 -0.062 0.000 2.349 799 M HA -0.146 4.324 4.480 -0.017 0.000 0.266 799 M C 2.238 178.487 176.300 -0.084 0.000 1.076 799 M CA 0.883 56.152 55.300 -0.052 0.000 1.126 799 M CB -0.167 32.427 32.600 -0.011 0.000 1.392 799 M HN 0.144 nan 8.290 nan 0.000 0.440 800 R N -0.353 120.056 120.500 -0.152 0.000 2.200 800 R HA -0.107 4.223 4.340 -0.017 0.000 0.234 800 R C 1.677 177.868 176.300 -0.183 0.000 1.127 800 R CA 0.929 56.932 56.100 -0.163 0.000 0.989 800 R CB -0.011 30.184 30.300 -0.175 0.000 0.869 800 R HN 0.243 nan 8.270 nan 0.000 0.459 801 V N -0.247 119.497 119.914 -0.283 0.000 3.174 801 V HA -0.045 4.064 4.120 -0.017 0.000 0.254 801 V C 1.854 177.888 176.094 -0.100 0.000 1.120 801 V CA 0.879 63.040 62.300 -0.233 0.000 1.114 801 V CB 0.100 31.725 31.823 -0.331 0.000 0.756 801 V HN 0.128 nan 8.190 nan 0.000 0.467 802 E N -0.100 120.057 120.200 -0.071 0.000 2.072 802 E HA -0.170 4.170 4.350 -0.017 0.000 0.190 802 E C 1.962 178.574 176.600 0.019 0.000 0.982 802 E CA 1.151 57.535 56.400 -0.027 0.000 0.803 802 E CB -0.309 29.380 29.700 -0.019 0.000 0.755 802 E HN 0.689 nan 8.360 nan 0.000 0.453 803 Y N 1.279 121.529 120.300 -0.083 0.000 2.165 803 Y HA -0.207 4.333 4.550 -0.017 0.000 0.286 803 Y C 2.445 178.307 175.900 -0.063 0.000 1.155 803 Y CA 2.031 60.091 58.100 -0.066 0.000 1.164 803 Y CB -0.039 38.387 38.460 -0.057 0.000 0.978 803 Y HN -0.077 nan 8.280 nan 0.000 0.513 804 R N -0.314 120.249 120.500 0.104 0.000 2.200 804 R HA -0.147 4.183 4.340 -0.017 0.000 0.234 804 R C 2.128 178.406 176.300 -0.036 0.000 1.127 804 R CA 1.048 57.167 56.100 0.032 0.000 0.989 804 R CB -0.295 30.011 30.300 0.011 0.000 0.869 804 R HN 0.479 nan 8.270 nan 0.000 0.459 805 A N -0.178 122.609 122.820 -0.055 0.000 1.887 805 A HA -0.011 4.298 4.320 -0.017 0.000 0.210 805 A C 2.002 179.522 177.584 -0.108 0.000 1.221 805 A CA 0.531 52.527 52.037 -0.069 0.000 0.635 805 A CB -0.255 18.711 19.000 -0.057 0.000 0.881 805 A HN 0.178 nan 8.150 nan 0.000 0.456 806 M N -0.298 119.219 119.600 -0.139 0.000 2.088 806 M HA -0.213 4.256 4.480 -0.017 0.000 0.256 806 M C 2.115 178.274 176.300 -0.234 0.000 1.071 806 M CA 1.896 57.081 55.300 -0.193 0.000 1.097 806 M CB -0.733 31.718 32.600 -0.249 0.000 1.315 806 M HN 0.234 nan 8.290 nan 0.000 0.406 807 V N 0.219 119.957 119.914 -0.293 0.000 2.287 807 V HA -0.281 3.828 4.120 -0.017 0.000 0.248 807 V C 2.146 178.151 176.094 -0.148 0.000 1.053 807 V CA 2.105 64.247 62.300 -0.263 0.000 1.027 807 V CB -0.696 30.940 31.823 -0.311 0.000 0.646 807 V HN 0.472 nan 8.190 nan 0.000 0.447 808 E N -0.289 119.846 120.200 -0.109 0.000 2.033 808 E HA -0.281 4.059 4.350 -0.017 0.000 0.199 808 E C 2.459 179.010 176.600 -0.081 0.000 1.011 808 E CA 1.702 58.059 56.400 -0.070 0.000 0.815 808 E CB -0.234 29.434 29.700 -0.054 0.000 0.755 808 E HN 0.459 nan 8.360 nan 0.000 0.451 809 R N 0.407 120.845 120.500 -0.104 0.000 2.154 809 R HA -0.192 4.138 4.340 -0.017 0.000 0.248 809 R C 2.367 178.566 176.300 -0.168 0.000 1.155 809 R CA 0.981 57.008 56.100 -0.122 0.000 0.979 809 R CB -0.277 29.939 30.300 -0.140 0.000 0.869 809 R HN 0.129 nan 8.270 nan 0.000 0.452 810 R N 1.163 121.548 120.500 -0.191 0.000 2.227 810 R HA -0.283 4.047 4.340 -0.017 0.000 0.246 810 R C 2.101 178.205 176.300 -0.327 0.000 1.119 810 R CA 2.598 58.541 56.100 -0.261 0.000 0.930 810 R CB -0.351 29.858 30.300 -0.153 0.000 0.912 810 R HN 0.578 nan 8.270 nan 0.000 0.435 811 E N -1.270 118.875 120.200 -0.092 0.000 2.086 811 E HA -0.018 4.322 4.350 -0.017 0.000 0.190 811 E C 1.890 178.505 176.600 0.026 0.000 0.975 811 E CA 0.908 57.352 56.400 0.073 0.000 0.813 811 E CB -0.334 29.466 29.700 0.168 0.000 0.768 811 E HN 0.091 nan 8.360 nan 0.000 0.457 812 S N 1.028 116.712 115.700 -0.026 0.000 2.440 812 S HA -0.125 4.334 4.470 -0.017 0.000 0.240 812 S C 1.887 176.457 174.600 -0.049 0.000 1.014 812 S CA 1.090 59.277 58.200 -0.021 0.000 0.980 812 S CB -0.330 62.852 63.200 -0.030 0.000 0.775 812 S HN 0.287 nan 8.310 nan 0.000 0.499 813 I N -0.011 120.477 120.570 -0.136 0.000 2.141 813 I HA -0.146 4.013 4.170 -0.017 0.000 0.236 813 I C 1.903 177.950 176.117 -0.118 0.000 1.071 813 I CA 1.113 62.306 61.300 -0.178 0.000 1.345 813 I CB -0.575 37.233 38.000 -0.319 0.000 1.066 813 I HN 0.205 nan 8.210 nan 0.000 0.406 814 F N 1.149 121.005 119.950 -0.157 0.000 2.063 814 F HA -0.386 4.130 4.527 -0.017 0.000 0.297 814 F C 2.970 178.667 175.800 -0.172 0.000 1.099 814 F CA 1.698 59.535 58.000 -0.273 0.000 1.220 814 F CB -1.491 37.421 39.000 -0.148 0.000 0.972 814 F HN 0.300 nan 8.300 nan 0.000 0.487 815 C N 0.887 120.303 119.300 0.193 0.000 2.393 815 C HA -0.220 4.229 4.460 -0.017 0.000 0.276 815 C C 2.908 177.955 174.990 0.096 0.000 1.215 815 C CA 1.295 60.403 59.018 0.150 0.000 1.743 815 C CB -1.331 26.471 27.740 0.104 0.000 2.044 815 C HN 0.431 nan 8.230 nan 0.000 0.464 816 I N 0.085 120.679 120.570 0.040 0.000 2.202 816 I HA -0.205 3.954 4.170 -0.017 0.000 0.242 816 I C 2.715 178.842 176.117 0.017 0.000 1.091 816 I CA 1.709 63.019 61.300 0.017 0.000 1.368 816 I CB -1.338 36.651 38.000 -0.017 0.000 1.058 816 I HN 0.557 nan 8.210 nan 0.000 0.410 817 Q N 0.400 120.180 119.800 -0.034 0.000 1.900 817 Q HA -0.261 4.069 4.340 -0.017 0.000 0.219 817 Q C 2.353 178.359 176.000 0.009 0.000 1.012 817 Q CA 2.408 58.162 55.803 -0.081 0.000 0.876 817 Q CB -0.369 28.239 28.738 -0.217 0.000 0.952 817 Q HN 0.369 nan 8.270 nan 0.000 0.419 818 Y N 0.951 121.314 120.300 0.105 0.000 2.069 818 Y HA -0.290 4.249 4.550 -0.017 0.000 0.278 818 Y C 2.155 178.097 175.900 0.069 0.000 1.175 818 Y CA 1.113 59.255 58.100 0.070 0.000 1.134 818 Y CB -0.924 37.563 38.460 0.045 0.000 0.965 818 Y HN 0.274 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 -0.197 4.532 4.740 -0.017 0.000 0.193 819 N C 1.901 177.504 175.510 0.156 0.000 1.012 819 N CA 1.774 54.922 53.050 0.163 0.000 0.871 819 N CB -0.341 38.215 38.487 0.116 0.000 1.011 819 N HN 0.209 nan 8.380 nan 0.000 0.435 820 V N 1.269 121.266 119.914 0.139 0.000 2.283 820 V HA -0.141 3.969 4.120 -0.017 0.000 0.243 820 V C 2.419 178.646 176.094 0.223 0.000 1.039 820 V CA 1.230 63.621 62.300 0.152 0.000 1.016 820 V CB -0.355 31.529 31.823 0.102 0.000 0.650 820 V HN 0.269 nan 8.190 nan 0.000 0.449 821 R N -0.154 120.453 120.500 0.177 0.000 2.134 821 R HA -0.229 4.101 4.340 -0.017 0.000 0.248 821 R C 2.593 178.981 176.300 0.146 0.000 1.143 821 R CA 1.959 58.153 56.100 0.157 0.000 0.957 821 R CB -0.706 29.690 30.300 0.161 0.000 0.867 821 R HN 0.452 nan 8.270 nan 0.000 0.441 822 S N 0.466 116.262 115.700 0.160 0.000 2.427 822 S HA -0.247 4.212 4.470 -0.017 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 62.760 63.200 0.164 0.000 1.093 822 S HN 0.382 nan 8.310 nan 0.000 0.422 823 F N 2.033 122.033 119.950 0.084 0.000 2.085 823 F HA -0.237 4.280 4.527 -0.017 0.000 0.299 823 F C 2.222 178.067 175.800 0.076 0.000 1.096 823 F CA 1.844 59.908 58.000 0.106 0.000 1.227 823 F CB -0.351 38.710 39.000 0.101 0.000 0.983 823 F HN 0.183 nan 8.300 nan 0.000 0.482 824 M N -0.153 119.438 119.600 -0.015 0.000 2.346 824 M HA -0.213 4.257 4.480 -0.017 0.000 0.263 824 M C 1.460 177.676 176.300 -0.140 0.000 1.064 824 M CA 1.513 56.734 55.300 -0.132 0.000 1.083 824 M CB -1.102 31.528 32.600 0.050 0.000 1.399 824 M HN 0.287 nan 8.290 nan 0.000 0.435 825 N N -0.464 118.187 118.700 -0.082 0.000 2.368 825 N HA 0.044 4.773 4.740 -0.017 0.000 0.178 825 N C 0.658 176.138 175.510 -0.050 0.000 1.021 825 N CA 0.248 53.268 53.050 -0.049 0.000 0.875 825 N CB 0.337 38.792 38.487 -0.052 0.000 1.020 825 N HN -0.006 nan 8.380 nan 0.000 0.433 829 W N 5.994 127.352 121.300 0.098 0.000 2.388 829 W HA 0.297 4.946 4.660 -0.017 0.000 0.308 829 W C -1.528 175.026 176.519 0.059 0.000 1.263 829 W CA -2.301 55.094 57.345 0.083 0.000 1.286 829 W CB 0.604 30.112 29.460 0.079 0.000 1.294 829 W HN -0.032 nan 8.180 nan 0.000 0.493 830 P HA -0.317 nan 4.420 nan 0.000 0.221 830 P C 1.184 178.141 177.300 -0.571 0.000 1.160 830 P CA 2.699 65.549 63.100 -0.418 0.000 0.933 830 P CB -0.235 31.116 31.700 -0.582 0.000 0.793 831 W N -1.362 119.416 121.300 -0.869 0.000 2.342 831 W HA -0.058 4.592 4.660 -0.017 0.000 0.297 831 W C 1.909 178.094 176.519 -0.556 0.000 1.213 831 W CA 0.087 56.904 57.345 -0.881 0.000 1.251 831 W CB -0.936 27.516 29.460 -1.680 0.000 1.136 831 W HN -0.003 nan 8.180 nan 0.000 0.526 835 F N 1.613 121.510 119.950 -0.088 0.000 2.147 835 F HA -0.103 4.414 4.527 -0.017 0.000 0.301 835 F C 1.074 176.928 175.800 0.090 0.000 1.084 835 F CA 1.086 59.059 58.000 -0.046 0.000 1.268 835 F CB -0.144 38.746 39.000 -0.183 0.000 1.009 835 F HN -0.054 nan 8.300 nan 0.000 0.486 841 L N 0.122 121.331 121.223 -0.023 0.000 2.450 841 L HA -0.077 4.252 4.340 -0.017 0.000 0.225 841 L C 0.931 177.798 176.870 -0.005 0.000 1.145 841 L CA 1.259 56.093 54.840 -0.010 0.000 0.801 841 L CB -0.948 41.109 42.059 -0.003 0.000 0.924 841 L HN 0.125 nan 8.230 nan 0.000 0.447 842 L N -0.838 120.378 121.223 -0.011 0.000 2.479 842 L HA 0.285 4.614 4.340 -0.017 0.000 0.248 842 L C 0.563 177.434 176.870 0.002 0.000 1.205 842 L CA 0.081 54.921 54.840 0.001 0.000 0.817 842 L CB 0.313 42.372 42.059 0.000 0.000 1.162 842 L HN 0.235 nan 8.230 nan 0.000 0.486 843 K N 0.000 120.406 120.400 0.011 0.000 2.780 843 K HA 0.000 4.310 4.320 -0.017 0.000 0.191 843 K CA 0.000 56.293 56.287 0.011 0.000 0.838 843 K CB 0.000 32.506 32.500 0.010 0.000 1.064 843 K HN 0.000 nan 8.250 nan 0.000 0.543