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 3mqt_1_G DATA FIRST_RESID 5 DATA SEQUENCE ANIVSVEFIP VNVAXXXXXE NTVIVKVTDE NGVYGLGEAD GPPECMKAFS DATA SEQUENCE EIENEHKWLN NIKEAVIGRD PLEFRANYNR MYDTTKWIGM RGLGLFAISG DATA SEQUENCE IDMALYDLAG KQLGVPAYKL MGGAQKAQLT PYFTLYPSVA ADATLSEIVE DATA SEQUENCE AYKPLIAKAK ERGAKAVKVC IIPNDKVSDK EIVAYLRELR EVIGWDMDMM DATA SEQUENCE VDCLYRWTDW QKARWTFRQL EDIDLYFIEA CLQHDDLIGH QKLAAAINTR DATA SEQUENCE LCGAEMSTTR FEAQEWLEKT GISVVQSDYN RCGGVTELLR IMDICEHHNA DATA SEQUENCE QLMPHNWKTG ITAAAARHFG IVCHISEYVE YLHPDFWNGT LTQQLTLNEP DATA SEQUENCE KIIDGAIEVS DKPGLGIELN IEFVEQVTGH KF 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 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.573 177.584 -0.018 0.000 1.274 5 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 5 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 6 N N 0.118 118.810 118.700 -0.014 0.000 2.467 6 N HA 0.511 5.251 4.740 -0.000 0.000 0.262 6 N C -0.253 175.255 175.510 -0.004 0.000 1.234 6 N CA -0.367 52.675 53.050 -0.014 0.000 0.952 6 N CB 0.723 39.203 38.487 -0.012 0.000 1.158 6 N HN 0.599 nan 8.380 nan 0.000 0.463 7 I N 1.385 121.954 120.570 -0.000 0.000 2.588 7 I HA -0.055 4.114 4.170 -0.000 0.000 0.283 7 I C 0.836 176.962 176.117 0.014 0.000 1.119 7 I CA -0.050 61.258 61.300 0.014 0.000 1.419 7 I CB 0.985 38.998 38.000 0.021 0.000 1.394 7 I HN 0.422 nan 8.210 nan 0.000 0.562 8 V N 3.806 123.732 119.914 0.020 0.000 3.151 8 V HA 0.080 4.200 4.120 -0.000 0.000 0.241 8 V C 0.436 176.540 176.094 0.016 0.000 1.173 8 V CA 0.775 63.084 62.300 0.014 0.000 1.154 8 V CB 0.737 32.567 31.823 0.011 0.000 0.898 8 V HN 0.883 nan 8.190 nan 0.000 0.473 9 S N -1.164 114.551 115.700 0.025 0.000 2.607 9 S HA 0.796 5.265 4.470 -0.000 0.000 0.273 9 S C -1.298 173.333 174.600 0.051 0.000 1.148 9 S CA -0.620 57.597 58.200 0.028 0.000 0.833 9 S CB 2.524 65.730 63.200 0.009 0.000 1.130 9 S HN -0.091 nan 8.310 nan 0.000 0.470 10 V N 0.966 120.923 119.914 0.072 0.000 2.623 10 V HA 0.646 4.766 4.120 -0.000 0.000 0.304 10 V C -0.771 175.418 176.094 0.158 0.000 1.054 10 V CA -0.395 61.982 62.300 0.129 0.000 0.882 10 V CB 1.536 33.469 31.823 0.183 0.000 1.002 10 V HN 1.018 nan 8.190 nan 0.000 0.424 11 E N 3.341 123.641 120.200 0.166 0.000 2.256 11 E HA 0.563 4.912 4.350 -0.000 0.000 0.268 11 E C -1.800 174.971 176.600 0.285 0.000 0.877 11 E CA -0.594 55.916 56.400 0.184 0.000 0.757 11 E CB 1.771 31.495 29.700 0.040 0.000 1.183 11 E HN 0.571 nan 8.360 nan 0.000 0.418 12 F N 4.804 124.781 119.950 0.045 0.000 2.385 12 F HA 0.424 4.951 4.527 -0.000 0.000 0.360 12 F C 0.028 175.864 175.800 0.060 0.000 1.122 12 F CA -0.737 57.303 58.000 0.068 0.000 1.090 12 F CB 0.925 39.977 39.000 0.088 0.000 1.150 12 F HN 0.319 nan 8.300 nan 0.000 0.472 13 I N 6.236 126.902 120.570 0.159 0.000 2.405 13 I HA 0.272 4.442 4.170 -0.000 0.000 0.280 13 I C -2.453 173.729 176.117 0.108 0.000 1.027 13 I CA -2.264 59.111 61.300 0.126 0.000 1.161 13 I CB 1.137 39.212 38.000 0.125 0.000 1.300 13 I HN 0.262 nan 8.210 nan 0.000 0.463 14 P HA 0.018 nan 4.420 nan 0.000 0.262 14 P C -0.670 176.668 177.300 0.063 0.000 1.199 14 P CA 0.106 63.261 63.100 0.091 0.000 0.763 14 P CB 0.543 32.295 31.700 0.086 0.000 0.790 15 V N 5.140 125.090 119.914 0.060 0.000 2.326 15 V HA 0.328 4.448 4.120 -0.000 0.000 0.281 15 V C 0.089 176.214 176.094 0.053 0.000 1.015 15 V CA -0.312 62.015 62.300 0.045 0.000 0.823 15 V CB 1.039 32.898 31.823 0.061 0.000 1.009 15 V HN 0.495 nan 8.190 nan 0.000 0.436 16 N N 3.776 122.496 118.700 0.034 0.000 2.531 16 N HA 0.365 5.104 4.740 -0.000 0.000 0.268 16 N C -0.871 174.659 175.510 0.033 0.000 1.023 16 N CA -0.196 52.880 53.050 0.043 0.000 0.896 16 N CB 2.221 40.731 38.487 0.040 0.000 1.233 16 N HN 0.378 nan 8.380 nan 0.000 0.512 17 V N 2.685 122.635 119.914 0.060 0.000 2.427 17 V HA 0.396 4.516 4.120 -0.000 0.000 0.268 17 V C 1.108 177.232 176.094 0.049 0.000 1.046 17 V CA -0.652 61.686 62.300 0.062 0.000 0.970 17 V CB 0.463 32.357 31.823 0.119 0.000 1.001 17 V HN 0.675 nan 8.190 nan 0.000 0.476 25 N N 1.096 119.853 118.700 0.095 0.000 2.927 25 N HA 0.760 5.499 4.740 -0.000 0.000 0.248 25 N C -1.352 174.199 175.510 0.069 0.000 1.443 25 N CA -0.605 52.494 53.050 0.082 0.000 0.870 25 N CB 2.215 40.748 38.487 0.077 0.000 1.444 25 N HN 0.195 nan 8.380 nan 0.000 0.519 26 T N -1.275 113.317 114.554 0.063 0.000 2.749 26 T HA 0.573 4.923 4.350 -0.000 0.000 0.310 26 T C -2.051 172.682 174.700 0.054 0.000 1.496 26 T CA -0.560 61.569 62.100 0.047 0.000 1.006 26 T CB 1.064 69.947 68.868 0.025 0.000 1.457 26 T HN 0.405 nan 8.240 nan 0.000 0.497 27 V N 3.315 123.253 119.914 0.040 0.000 2.378 27 V HA 0.528 4.647 4.120 -0.000 0.000 0.288 27 V C 0.059 176.132 176.094 -0.034 0.000 1.016 27 V CA -0.755 61.567 62.300 0.037 0.000 0.840 27 V CB 1.095 32.968 31.823 0.082 0.000 0.994 27 V HN 0.729 nan 8.190 nan 0.000 0.431 28 I N 4.882 125.445 120.570 -0.012 0.000 2.441 28 I HA 0.304 4.473 4.170 -0.000 0.000 0.287 28 I C -0.252 175.802 176.117 -0.106 0.000 1.049 28 I CA -0.262 61.024 61.300 -0.024 0.000 1.381 28 I CB 1.516 39.550 38.000 0.056 0.000 1.409 28 I HN 0.294 nan 8.210 nan 0.000 0.523 29 V N 7.141 126.955 119.914 -0.167 0.000 2.417 29 V HA 0.368 4.487 4.120 -0.000 0.000 0.291 29 V C -0.074 175.981 176.094 -0.065 0.000 1.024 29 V CA -0.676 61.464 62.300 -0.267 0.000 0.861 29 V CB 1.590 33.143 31.823 -0.450 0.000 0.985 29 V HN 0.657 nan 8.190 nan 0.000 0.436 30 K N 4.251 124.634 120.400 -0.029 0.000 2.507 30 K HA 0.740 5.060 4.320 -0.000 0.000 0.252 30 K C -1.947 174.668 176.600 0.025 0.000 0.943 30 K CA -0.475 55.811 56.287 -0.001 0.000 0.808 30 K CB 2.138 34.563 32.500 -0.126 0.000 1.142 30 K HN 0.458 nan 8.250 nan 0.000 0.426 31 V N 3.543 123.509 119.914 0.085 0.000 2.444 31 V HA 0.382 4.502 4.120 -0.000 0.000 0.294 31 V C -0.677 175.489 176.094 0.120 0.000 1.022 31 V CA -0.627 61.731 62.300 0.095 0.000 0.850 31 V CB 1.835 33.720 31.823 0.104 0.000 0.992 31 V HN 0.876 nan 8.190 nan 0.000 0.426 32 T N 3.756 118.363 114.554 0.087 0.000 2.829 32 T HA 0.498 4.848 4.350 -0.000 0.000 0.280 32 T C -0.472 174.266 174.700 0.063 0.000 0.999 32 T CA -0.641 61.519 62.100 0.100 0.000 0.983 32 T CB 1.597 70.507 68.868 0.070 0.000 0.968 32 T HN 0.874 nan 8.240 nan 0.000 0.446 33 D N 1.114 121.548 120.400 0.056 0.000 2.506 33 D HA 0.215 4.855 4.640 -0.000 0.000 0.272 33 D C 1.003 177.316 176.300 0.022 0.000 1.214 33 D CA -0.749 53.269 54.000 0.029 0.000 1.067 33 D CB 0.625 41.435 40.800 0.016 0.000 1.117 33 D HN 0.476 nan 8.370 nan 0.000 0.578 34 E N -1.031 119.175 120.200 0.011 0.000 2.153 34 E HA -0.142 4.207 4.350 -0.000 0.000 0.194 34 E C 0.972 177.577 176.600 0.008 0.000 0.988 34 E CA 0.890 57.294 56.400 0.007 0.000 0.811 34 E CB -0.092 29.609 29.700 0.001 0.000 0.746 34 E HN 0.363 nan 8.360 nan 0.000 0.466 35 N N -0.467 118.238 118.700 0.008 0.000 2.398 35 N HA 0.001 4.740 4.740 -0.000 0.000 0.188 35 N C 0.974 176.493 175.510 0.015 0.000 1.122 35 N CA 0.928 53.983 53.050 0.007 0.000 0.866 35 N CB 1.141 39.628 38.487 -0.000 0.000 0.970 35 N HN 0.284 nan 8.380 nan 0.000 0.462 36 G N -0.028 108.789 108.800 0.028 0.000 2.176 36 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.253 36 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.253 36 G C 0.088 175.030 174.900 0.070 0.000 0.979 36 G CA 0.194 45.325 45.100 0.053 0.000 0.641 36 G HN 0.199 nan 8.290 nan 0.000 0.530 37 V N 1.244 121.171 119.914 0.022 0.000 2.715 37 V HA 0.570 4.690 4.120 -0.000 0.000 0.299 37 V C 0.380 176.489 176.094 0.026 0.000 1.054 37 V CA 0.406 62.680 62.300 -0.043 0.000 1.077 37 V CB 0.604 32.393 31.823 -0.056 0.000 0.972 37 V HN 0.710 nan 8.190 nan 0.000 0.484 38 Y N 1.592 121.905 120.300 0.022 0.000 2.581 38 Y HA 0.911 5.461 4.550 -0.000 0.000 0.345 38 Y C -0.031 175.896 175.900 0.046 0.000 1.036 38 Y CA -1.431 56.684 58.100 0.025 0.000 1.042 38 Y CB 1.718 40.183 38.460 0.009 0.000 1.289 38 Y HN 0.708 nan 8.280 nan 0.000 0.471 39 G N 2.001 110.986 108.800 0.309 0.000 2.482 39 G HA2 0.660 4.620 3.960 -0.000 0.000 0.317 39 G HA3 0.660 4.620 3.960 -0.000 0.000 0.317 39 G C -2.009 173.050 174.900 0.265 0.000 1.241 39 G CA -1.193 44.042 45.100 0.225 0.000 0.967 39 G HN 0.755 nan 8.290 nan 0.000 0.482 40 L N 1.036 122.389 121.223 0.216 0.000 2.346 40 L HA 0.802 5.141 4.340 -0.000 0.000 0.276 40 L C 0.647 177.573 176.870 0.093 0.000 1.006 40 L CA -0.656 54.285 54.840 0.167 0.000 0.817 40 L CB 2.219 44.394 42.059 0.194 0.000 1.272 40 L HN 0.748 nan 8.230 nan 0.000 0.421 41 G N 1.611 110.439 108.800 0.046 0.000 2.949 41 G HA2 0.736 4.696 3.960 -0.000 0.000 0.285 41 G HA3 0.736 4.696 3.960 -0.000 0.000 0.285 41 G C -1.769 173.112 174.900 -0.033 0.000 1.395 41 G CA -0.363 44.747 45.100 0.016 0.000 0.901 41 G HN 0.621 nan 8.290 nan 0.000 0.519 42 E N -1.506 118.670 120.200 -0.041 0.000 2.356 42 E HA 0.673 5.023 4.350 -0.000 0.000 0.275 42 E C -1.007 175.564 176.600 -0.048 0.000 0.904 42 E CA -1.162 55.199 56.400 -0.065 0.000 0.757 42 E CB 2.203 31.877 29.700 -0.044 0.000 1.232 42 E HN 0.793 nan 8.360 nan 0.000 0.442 43 A N 2.124 124.910 122.820 -0.057 0.000 2.337 43 A HA 0.461 4.780 4.320 -0.000 0.000 0.329 43 A C -0.765 176.836 177.584 0.028 0.000 1.146 43 A CA -0.707 51.343 52.037 0.022 0.000 0.800 43 A CB 1.467 20.512 19.000 0.076 0.000 1.220 43 A HN 0.725 nan 8.150 nan 0.000 0.472 44 D N 0.140 120.519 120.400 -0.035 0.000 2.358 44 D HA 0.556 5.196 4.640 -0.000 0.000 0.244 44 D C 0.642 176.952 176.300 0.016 0.000 1.163 44 D CA 1.597 55.494 54.000 -0.171 0.000 0.945 44 D CB 1.028 41.468 40.800 -0.600 0.000 1.152 44 D HN 1.399 nan 8.370 nan 0.000 0.451 45 G N 0.807 109.625 108.800 0.030 0.000 2.497 45 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.686 45 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.686 45 G C -2.808 172.185 174.900 0.154 0.000 1.288 45 G CA -0.967 44.263 45.100 0.216 0.000 0.899 45 G HN 0.505 nan 8.290 nan 0.000 0.608 46 P HA 0.253 nan 4.420 nan 0.000 0.266 46 P C -1.862 175.512 177.300 0.123 0.000 1.215 46 P CA -0.951 62.217 63.100 0.113 0.000 0.763 46 P CB 0.602 32.360 31.700 0.097 0.000 0.806 47 P HA -0.185 nan 4.420 nan 0.000 0.214 47 P C 1.394 178.772 177.300 0.131 0.000 1.163 47 P CA 1.549 64.724 63.100 0.125 0.000 0.883 47 P CB 0.029 31.788 31.700 0.099 0.000 0.788 48 E N -0.933 119.328 120.200 0.101 0.000 2.110 48 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 48 E C 2.198 178.856 176.600 0.096 0.000 0.988 48 E CA 0.874 57.329 56.400 0.090 0.000 0.804 48 E CB -1.377 28.363 29.700 0.067 0.000 0.745 48 E HN 0.235 nan 8.360 nan 0.000 0.458 49 C N 0.806 120.166 119.300 0.100 0.000 2.429 49 C HA -0.120 4.340 4.460 -0.000 0.000 0.277 49 C C 2.552 177.628 174.990 0.143 0.000 1.262 49 C CA 0.636 59.718 59.018 0.106 0.000 1.733 49 C CB -0.732 27.065 27.740 0.094 0.000 2.010 49 C HN 0.312 nan 8.230 nan 0.000 0.483 50 M N 0.799 120.502 119.600 0.172 0.000 2.132 50 M HA -0.069 4.411 4.480 -0.000 0.000 0.263 50 M C 2.129 178.553 176.300 0.205 0.000 1.065 50 M CA 1.503 56.943 55.300 0.233 0.000 1.122 50 M CB -1.626 31.172 32.600 0.330 0.000 1.365 50 M HN 0.489 nan 8.290 nan 0.000 0.411 51 K N 0.371 120.889 120.400 0.197 0.000 2.001 51 K HA -0.152 4.168 4.320 -0.000 0.000 0.214 51 K C 2.017 178.626 176.600 0.014 0.000 1.050 51 K CA 1.871 58.227 56.287 0.116 0.000 0.934 51 K CB -0.154 32.423 32.500 0.128 0.000 0.718 51 K HN 0.240 nan 8.250 nan 0.000 0.443 52 A N 0.753 123.600 122.820 0.045 0.000 1.927 52 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 52 A C 2.044 179.616 177.584 -0.020 0.000 1.185 52 A CA 1.790 53.835 52.037 0.012 0.000 0.639 52 A CB -0.979 18.043 19.000 0.036 0.000 0.820 52 A HN 0.545 nan 8.150 nan 0.000 0.451 53 F N 1.926 121.810 119.950 -0.108 0.000 2.095 53 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 53 F C 2.704 178.356 175.800 -0.246 0.000 1.104 53 F CA 2.245 60.157 58.000 -0.146 0.000 1.232 53 F CB -0.226 38.702 39.000 -0.120 0.000 0.987 53 F HN 0.320 nan 8.300 nan 0.000 0.475 54 S N -1.265 114.271 115.700 -0.273 0.000 2.555 54 S HA -0.058 4.412 4.470 -0.000 0.000 0.230 54 S C 1.185 175.598 174.600 -0.311 0.000 0.978 54 S CA 0.947 58.843 58.200 -0.507 0.000 0.934 54 S CB -0.423 62.100 63.200 -1.128 0.000 0.766 54 S HN 0.623 nan 8.310 nan 0.000 0.533 55 E N 0.947 121.009 120.200 -0.230 0.000 2.693 55 E HA 0.342 4.692 4.350 -0.000 0.000 0.214 55 E C 0.405 176.912 176.600 -0.154 0.000 0.990 55 E CA -0.362 55.947 56.400 -0.152 0.000 1.047 55 E CB 0.574 30.219 29.700 -0.091 0.000 1.039 55 E HN 0.778 nan 8.360 nan 0.000 0.475 56 I N -1.400 119.035 120.570 -0.224 0.000 3.060 56 I HA 0.261 4.431 4.170 -0.000 0.000 0.285 56 I C 0.313 176.328 176.117 -0.169 0.000 1.190 56 I CA -0.541 60.634 61.300 -0.209 0.000 1.363 56 I CB 0.735 38.551 38.000 -0.305 0.000 1.396 56 I HN -0.224 nan 8.210 nan 0.000 0.607 57 E N 2.388 122.504 120.200 -0.139 0.000 2.283 57 E HA 0.295 4.645 4.350 -0.000 0.000 0.271 57 E C -0.830 175.689 176.600 -0.136 0.000 1.031 57 E CA -0.601 55.728 56.400 -0.118 0.000 0.868 57 E CB 0.777 30.424 29.700 -0.088 0.000 1.094 57 E HN 0.562 nan 8.360 nan 0.000 0.401 58 N N 2.262 120.887 118.700 -0.125 0.000 2.458 58 N HA -0.001 4.739 4.740 -0.000 0.000 0.258 58 N C 0.105 175.537 175.510 -0.130 0.000 1.219 58 N CA 0.457 53.424 53.050 -0.138 0.000 0.902 58 N CB 0.683 39.100 38.487 -0.116 0.000 1.076 58 N HN 0.546 nan 8.380 nan 0.000 0.455 59 E N 0.141 120.236 120.200 -0.174 0.000 2.441 59 E HA 0.042 4.392 4.350 -0.000 0.000 0.207 59 E C -0.376 176.189 176.600 -0.058 0.000 0.803 59 E CA 0.152 56.478 56.400 -0.124 0.000 1.240 59 E CB 0.516 30.141 29.700 -0.124 0.000 1.233 59 E HN 0.852 nan 8.360 nan 0.000 0.590 60 H N -2.240 116.749 119.070 -0.136 0.000 2.865 60 H HA 0.311 4.866 4.556 -0.000 0.000 0.265 60 H C 0.149 175.344 175.328 -0.223 0.000 1.477 60 H CA -0.740 55.205 56.048 -0.172 0.000 1.157 60 H CB 0.773 30.427 29.762 -0.179 0.000 1.858 60 H HN -0.214 nan 8.280 nan 0.000 0.594 61 K N -0.687 119.637 120.400 -0.125 0.000 2.113 61 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 61 K C 0.019 176.275 176.600 -0.574 0.000 1.047 61 K CA 2.037 57.986 56.287 -0.564 0.000 0.928 61 K CB 0.011 31.786 32.500 -1.209 0.000 0.716 61 K HN 0.599 nan 8.250 nan 0.000 0.446 62 W N 0.243 121.615 121.300 0.122 0.000 2.966 62 W HA 0.261 4.921 4.660 -0.000 0.000 0.406 62 W C -0.335 176.140 176.519 -0.074 0.000 1.027 62 W CA -0.402 56.996 57.345 0.088 0.000 1.930 62 W CB 0.156 29.785 29.460 0.282 0.000 1.144 62 W HN -0.029 nan 8.180 nan 0.000 0.626 63 L N 2.778 123.827 121.223 -0.289 0.000 2.490 63 L HA 0.366 4.705 4.340 -0.000 0.000 0.256 63 L C -0.844 175.842 176.870 -0.305 0.000 1.089 63 L CA 0.126 54.756 54.840 -0.349 0.000 0.916 63 L CB 0.152 41.810 42.059 -0.668 0.000 1.188 63 L HN -0.205 nan 8.230 nan 0.000 0.476 64 N N 1.732 120.317 118.700 -0.191 0.000 2.380 64 N HA 0.264 5.004 4.740 -0.000 0.000 0.290 64 N C -1.051 174.356 175.510 -0.172 0.000 1.236 64 N CA -0.812 52.137 53.050 -0.169 0.000 0.780 64 N CB 1.876 40.285 38.487 -0.129 0.000 1.438 64 N HN 0.424 nan 8.380 nan 0.000 0.491 65 N N 1.741 120.342 118.700 -0.164 0.000 2.434 65 N HA -0.028 4.712 4.740 -0.000 0.000 0.268 65 N C 1.154 176.592 175.510 -0.120 0.000 1.256 65 N CA 0.039 52.982 53.050 -0.177 0.000 0.914 65 N CB 0.618 39.018 38.487 -0.144 0.000 1.088 65 N HN 0.636 nan 8.380 nan 0.000 0.478 66 I N 4.777 125.273 120.570 -0.123 0.000 2.236 66 I HA -0.332 3.837 4.170 -0.000 0.000 0.249 66 I C 1.769 177.899 176.117 0.022 0.000 1.102 66 I CA 1.546 62.840 61.300 -0.011 0.000 1.365 66 I CB 0.137 38.190 38.000 0.088 0.000 1.051 66 I HN 0.599 nan 8.210 nan 0.000 0.420 67 K N 0.457 120.858 120.400 0.001 0.000 2.103 67 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 67 K C 1.751 178.363 176.600 0.020 0.000 1.048 67 K CA 1.690 57.999 56.287 0.037 0.000 0.930 67 K CB -0.267 32.245 32.500 0.021 0.000 0.716 67 K HN 0.513 nan 8.250 nan 0.000 0.444 68 E N 0.528 120.721 120.200 -0.011 0.000 2.409 68 E HA -0.103 4.247 4.350 -0.000 0.000 0.198 68 E C 1.655 178.252 176.600 -0.005 0.000 1.024 68 E CA 0.496 56.887 56.400 -0.016 0.000 0.861 68 E CB 0.012 29.689 29.700 -0.039 0.000 0.788 68 E HN 0.335 nan 8.360 nan 0.000 0.521 69 A N 0.822 123.648 122.820 0.009 0.000 2.167 69 A HA -0.027 4.293 4.320 -0.000 0.000 0.214 69 A C 2.162 179.765 177.584 0.031 0.000 1.151 69 A CA 0.940 52.989 52.037 0.021 0.000 0.735 69 A CB 0.025 19.045 19.000 0.034 0.000 0.802 69 A HN 0.230 nan 8.150 nan 0.000 0.467 70 V N -4.091 115.845 119.914 0.036 0.000 3.431 70 V HA 0.336 4.456 4.120 -0.000 0.000 0.255 70 V C 0.514 176.624 176.094 0.026 0.000 1.403 70 V CA -0.605 61.718 62.300 0.038 0.000 1.101 70 V CB -0.553 31.308 31.823 0.063 0.000 0.891 70 V HN 0.171 nan 8.190 nan 0.000 0.446 71 I N 3.436 124.021 120.570 0.024 0.000 2.821 71 I HA 0.311 4.481 4.170 -0.000 0.000 0.294 71 I C 1.663 177.782 176.117 0.005 0.000 1.210 71 I CA 2.037 63.346 61.300 0.015 0.000 1.430 71 I CB -0.612 37.394 38.000 0.009 0.000 1.356 71 I HN 0.672 nan 8.210 nan 0.000 0.563 72 G N 5.858 114.659 108.800 0.002 0.000 2.176 72 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.253 72 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.253 72 G C 0.418 175.312 174.900 -0.009 0.000 0.979 72 G CA -0.327 44.770 45.100 -0.005 0.000 0.641 72 G HN 0.536 nan 8.290 nan 0.000 0.530 73 R N 0.353 120.848 120.500 -0.009 0.000 2.720 73 R HA 0.529 4.869 4.340 -0.000 0.000 0.272 73 R C -0.882 175.397 176.300 -0.036 0.000 0.991 73 R CA -0.937 55.151 56.100 -0.020 0.000 1.010 73 R CB 0.820 31.111 30.300 -0.015 0.000 1.141 73 R HN 0.217 nan 8.270 nan 0.000 0.494 74 D N 2.226 122.591 120.400 -0.058 0.000 2.312 74 D HA 0.143 4.783 4.640 -0.000 0.000 0.252 74 D C -1.507 174.708 176.300 -0.141 0.000 1.150 74 D CA -2.085 51.863 54.000 -0.086 0.000 0.870 74 D CB 1.268 42.013 40.800 -0.091 0.000 1.153 74 D HN 0.110 nan 8.370 nan 0.000 0.457 75 P HA -0.043 nan 4.420 nan 0.000 0.236 75 P C 1.846 178.848 177.300 -0.497 0.000 1.177 75 P CA 0.094 63.074 63.100 -0.201 0.000 0.773 75 P CB 0.451 32.101 31.700 -0.083 0.000 0.878 76 L N 0.235 121.180 121.223 -0.463 0.000 2.187 76 L HA -0.113 4.227 4.340 -0.000 0.000 0.213 76 L C 0.862 177.107 176.870 -1.041 0.000 1.100 76 L CA 1.453 55.877 54.840 -0.694 0.000 0.765 76 L CB -0.397 41.477 42.059 -0.308 0.000 0.904 76 L HN 0.036 nan 8.230 nan 0.000 0.437 77 E N -0.075 119.733 120.200 -0.652 0.000 2.122 77 E HA -0.009 4.340 4.350 -0.000 0.000 0.288 77 E C 0.718 177.124 176.600 -0.323 0.000 1.260 77 E CA -0.367 55.794 56.400 -0.399 0.000 1.344 77 E CB 0.081 29.672 29.700 -0.181 0.000 1.337 77 E HN 0.275 nan 8.360 nan 0.000 0.484 78 F N 0.580 120.509 119.950 -0.035 0.000 2.095 78 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 78 F C 2.351 178.210 175.800 0.098 0.000 1.104 78 F CA 1.171 59.162 58.000 -0.015 0.000 1.232 78 F CB -0.382 38.581 39.000 -0.061 0.000 0.987 78 F HN 0.187 nan 8.300 nan 0.000 0.475 79 R N 0.075 120.719 120.500 0.240 0.000 2.075 79 R HA -0.070 4.270 4.340 -0.000 0.000 0.232 79 R C 2.483 178.903 176.300 0.201 0.000 1.126 79 R CA 1.164 57.386 56.100 0.204 0.000 0.963 79 R CB -0.809 29.576 30.300 0.141 0.000 0.858 79 R HN 0.313 nan 8.270 nan 0.000 0.435 80 A N 1.340 124.236 122.820 0.127 0.000 1.877 80 A HA -0.196 4.123 4.320 -0.000 0.000 0.216 80 A C 1.739 179.397 177.584 0.122 0.000 1.186 80 A CA 1.704 53.803 52.037 0.104 0.000 0.620 80 A CB -0.701 18.326 19.000 0.046 0.000 0.822 80 A HN 0.406 nan 8.150 nan 0.000 0.443 81 N N -1.990 116.775 118.700 0.109 0.000 2.084 81 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 81 N C 1.775 177.393 175.510 0.180 0.000 1.030 81 N CA 1.511 54.630 53.050 0.115 0.000 0.849 81 N CB -0.339 38.195 38.487 0.079 0.000 1.012 81 N HN 0.617 nan 8.380 nan 0.000 0.423 82 Y N 2.363 122.752 120.300 0.148 0.000 2.097 82 Y HA -0.247 4.302 4.550 -0.000 0.000 0.282 82 Y C 1.937 177.954 175.900 0.195 0.000 1.152 82 Y CA 1.619 59.826 58.100 0.179 0.000 1.136 82 Y CB -0.237 38.327 38.460 0.172 0.000 0.975 82 Y HN 0.066 nan 8.280 nan 0.000 0.498 83 N N 0.265 119.177 118.700 0.353 0.000 2.166 83 N HA -0.188 4.552 4.740 -0.000 0.000 0.186 83 N C 1.967 177.597 175.510 0.201 0.000 1.019 83 N CA 1.540 54.759 53.050 0.282 0.000 0.856 83 N CB -0.508 38.130 38.487 0.251 0.000 0.993 83 N HN 0.410 nan 8.380 nan 0.000 0.426 84 R N 0.182 120.770 120.500 0.145 0.000 2.090 84 R HA 0.109 4.449 4.340 -0.000 0.000 0.228 84 R C 2.152 178.505 176.300 0.088 0.000 1.110 84 R CA 0.765 56.930 56.100 0.108 0.000 0.973 84 R CB -0.015 30.331 30.300 0.076 0.000 0.869 84 R HN 0.181 nan 8.270 nan 0.000 0.440 85 M N -0.882 118.756 119.600 0.063 0.000 2.099 85 M HA -0.213 4.267 4.480 -0.000 0.000 0.262 85 M C 2.011 178.335 176.300 0.041 0.000 1.067 85 M CA 1.660 56.983 55.300 0.038 0.000 1.124 85 M CB -0.413 32.195 32.600 0.014 0.000 1.353 85 M HN 0.201 nan 8.290 nan 0.000 0.410 86 Y N 1.380 121.600 120.300 -0.133 0.000 2.145 86 Y HA -0.296 4.254 4.550 -0.000 0.000 0.286 86 Y C 1.963 177.908 175.900 0.075 0.000 1.145 86 Y CA 1.893 59.947 58.100 -0.077 0.000 1.148 86 Y CB -0.159 38.215 38.460 -0.142 0.000 0.981 86 Y HN 0.258 nan 8.280 nan 0.000 0.507 87 D N -1.021 119.537 120.400 0.263 0.000 2.149 87 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 87 D C 2.144 178.569 176.300 0.208 0.000 0.972 87 D CA 2.002 56.166 54.000 0.273 0.000 0.835 87 D CB -0.631 40.333 40.800 0.272 0.000 0.966 87 D HN 0.513 nan 8.370 nan 0.000 0.476 88 T N -1.989 112.629 114.554 0.107 0.000 3.148 88 T HA -0.014 4.336 4.350 -0.000 0.000 0.253 88 T C 1.419 176.145 174.700 0.043 0.000 1.134 88 T CA 1.093 63.219 62.100 0.043 0.000 1.051 88 T CB -0.203 68.661 68.868 -0.006 0.000 0.959 88 T HN 0.119 nan 8.240 nan 0.000 0.525 89 T N -2.487 112.100 114.554 0.055 0.000 3.170 89 T HA 0.399 4.749 4.350 -0.000 0.000 0.288 89 T C 1.303 176.030 174.700 0.046 0.000 0.992 89 T CA -0.620 61.507 62.100 0.045 0.000 0.909 89 T CB 0.078 68.978 68.868 0.052 0.000 1.133 89 T HN 0.188 nan 8.240 nan 0.000 0.530 90 K N 0.541 120.981 120.400 0.067 0.000 2.089 90 K HA -0.137 4.182 4.320 -0.000 0.000 0.210 90 K C 1.712 178.337 176.600 0.042 0.000 1.048 90 K CA 1.915 58.186 56.287 -0.027 0.000 0.926 90 K CB -0.182 32.358 32.500 0.067 0.000 0.714 90 K HN 0.516 nan 8.250 nan 0.000 0.448 91 W N 1.689 123.022 121.300 0.054 0.000 2.374 91 W HA -0.153 4.507 4.660 -0.000 0.000 0.288 91 W C 1.424 177.958 176.519 0.025 0.000 1.218 91 W CA 1.560 58.944 57.345 0.065 0.000 1.245 91 W CB 0.149 29.724 29.460 0.193 0.000 1.126 91 W HN 0.108 nan 8.180 nan 0.000 0.545 92 I N -3.285 117.364 120.570 0.132 0.000 4.227 92 I HA 0.396 4.565 4.170 -0.000 0.000 0.334 92 I C 1.190 177.357 176.117 0.083 0.000 1.341 92 I CA 0.388 61.748 61.300 0.101 0.000 1.123 92 I CB -0.395 37.709 38.000 0.175 0.000 1.097 92 I HN -0.202 nan 8.210 nan 0.000 0.399 93 G N 0.689 109.500 108.800 0.017 0.000 3.434 93 G HA2 0.415 4.375 3.960 -0.000 0.000 0.197 93 G HA3 0.415 4.375 3.960 -0.000 0.000 0.197 93 G C 0.516 175.326 174.900 -0.151 0.000 1.559 93 G CA 0.143 45.207 45.100 -0.060 0.000 0.852 93 G HN 0.234 nan 8.290 nan 0.000 0.682 94 M N -2.401 117.038 119.600 -0.268 0.000 2.814 94 M HA -0.194 4.286 4.480 -0.000 0.000 0.150 94 M C 0.057 176.407 176.300 0.083 0.000 0.693 94 M CA 1.716 56.899 55.300 -0.196 0.000 0.575 94 M CB -0.467 32.033 32.600 -0.167 0.000 2.110 94 M HN 0.459 nan 8.290 nan 0.000 0.260 95 R N -0.159 120.345 120.500 0.006 0.000 2.799 95 R HA 0.672 5.012 4.340 -0.000 0.000 0.270 95 R C 0.327 176.581 176.300 -0.076 0.000 1.010 95 R CA 0.057 56.179 56.100 0.038 0.000 0.916 95 R CB 1.060 31.393 30.300 0.055 0.000 1.228 95 R HN 0.776 nan 8.270 nan 0.000 0.469 96 G N 0.695 109.445 108.800 -0.084 0.000 2.525 96 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.248 96 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.248 96 G C 0.674 175.114 174.900 -0.768 0.000 1.238 96 G CA 0.209 45.150 45.100 -0.264 0.000 0.926 96 G HN 0.587 nan 8.290 nan 0.000 0.574 97 L N 0.935 121.571 121.223 -0.978 0.000 2.051 97 L HA 0.007 4.346 4.340 -0.000 0.000 0.214 97 L C 2.978 179.174 176.870 -1.124 0.000 1.076 97 L CA 3.278 57.239 54.840 -1.465 0.000 0.758 97 L CB -0.837 40.807 42.059 -0.691 0.000 0.890 97 L HN 1.125 nan 8.230 nan 0.000 0.433 98 G N -0.374 107.979 108.800 -0.745 0.000 2.450 98 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.220 98 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.220 98 G C 1.478 176.168 174.900 -0.350 0.000 1.130 98 G CA 1.045 45.748 45.100 -0.662 0.000 0.760 98 G HN 0.386 nan 8.290 nan 0.000 0.557 99 L N -0.143 120.943 121.223 -0.228 0.000 2.217 99 L HA 0.136 4.476 4.340 -0.000 0.000 0.211 99 L C 2.465 179.456 176.870 0.203 0.000 1.107 99 L CA 0.507 55.373 54.840 0.043 0.000 0.783 99 L CB -0.306 41.845 42.059 0.153 0.000 0.919 99 L HN 0.089 nan 8.230 nan 0.000 0.442 100 F N -0.116 119.816 119.950 -0.031 0.000 2.126 100 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 100 F C 2.549 178.379 175.800 0.050 0.000 1.096 100 F CA 0.817 58.818 58.000 0.002 0.000 1.255 100 F CB -1.702 37.282 39.000 -0.027 0.000 0.997 100 F HN 0.104 nan 8.300 nan 0.000 0.479 101 A N 0.382 123.309 122.820 0.178 0.000 1.929 101 A HA -0.075 4.244 4.320 -0.000 0.000 0.216 101 A C 2.347 180.141 177.584 0.351 0.000 1.176 101 A CA 1.145 53.379 52.037 0.328 0.000 0.628 101 A CB -1.024 18.074 19.000 0.164 0.000 0.816 101 A HN 0.344 nan 8.150 nan 0.000 0.444 102 I N 0.047 120.755 120.570 0.229 0.000 2.208 102 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 102 I C 2.602 178.864 176.117 0.241 0.000 1.097 102 I CA 1.494 62.922 61.300 0.213 0.000 1.363 102 I CB -0.399 37.678 38.000 0.128 0.000 1.051 102 I HN 0.246 nan 8.210 nan 0.000 0.413 103 S N 0.895 116.740 115.700 0.240 0.000 2.356 103 S HA -0.136 4.333 4.470 -0.000 0.000 0.223 103 S C 2.136 176.837 174.600 0.167 0.000 1.032 103 S CA 1.455 59.784 58.200 0.215 0.000 1.005 103 S CB -0.792 62.518 63.200 0.183 0.000 0.867 103 S HN 0.643 nan 8.310 nan 0.000 0.449 104 G N 1.620 110.495 108.800 0.125 0.000 2.418 104 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 104 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 104 G C 1.351 176.272 174.900 0.036 0.000 1.158 104 G CA 0.700 45.810 45.100 0.016 0.000 0.771 104 G HN 0.488 nan 8.290 nan 0.000 0.545 105 I N 0.772 121.408 120.570 0.110 0.000 2.202 105 I HA -0.115 4.054 4.170 -0.000 0.000 0.242 105 I C 2.420 178.651 176.117 0.190 0.000 1.091 105 I CA 1.537 62.928 61.300 0.152 0.000 1.368 105 I CB -0.299 37.839 38.000 0.231 0.000 1.058 105 I HN 0.150 nan 8.210 nan 0.000 0.410 106 D N 0.925 121.470 120.400 0.242 0.000 2.123 106 D HA -0.275 4.365 4.640 -0.000 0.000 0.196 106 D C 2.307 178.822 176.300 0.358 0.000 0.992 106 D CA 1.499 55.693 54.000 0.322 0.000 0.833 106 D CB -0.019 41.020 40.800 0.397 0.000 0.954 106 D HN 0.190 nan 8.370 nan 0.000 0.455 107 M N -0.083 119.673 119.600 0.260 0.000 2.065 107 M HA -0.205 4.275 4.480 -0.000 0.000 0.259 107 M C 2.160 178.588 176.300 0.213 0.000 1.069 107 M CA 1.994 57.422 55.300 0.215 0.000 1.110 107 M CB -0.184 32.478 32.600 0.104 0.000 1.328 107 M HN 0.154 nan 8.290 nan 0.000 0.405 108 A N 0.464 123.378 122.820 0.156 0.000 1.948 108 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 108 A C 2.005 179.685 177.584 0.161 0.000 1.177 108 A CA 1.664 53.784 52.037 0.139 0.000 0.636 108 A CB -1.120 17.944 19.000 0.105 0.000 0.815 108 A HN 0.623 nan 8.150 nan 0.000 0.449 109 L N -2.340 118.992 121.223 0.182 0.000 2.083 109 L HA -0.208 4.131 4.340 -0.000 0.000 0.209 109 L C 2.537 179.513 176.870 0.176 0.000 1.083 109 L CA 1.364 56.299 54.840 0.158 0.000 0.752 109 L CB -0.579 41.578 42.059 0.164 0.000 0.899 109 L HN 0.479 nan 8.230 nan 0.000 0.433 110 Y N -0.237 120.189 120.300 0.210 0.000 2.242 110 Y HA -0.268 4.282 4.550 -0.000 0.000 0.291 110 Y C 2.430 178.357 175.900 0.045 0.000 1.137 110 Y CA 1.608 59.761 58.100 0.087 0.000 1.181 110 Y CB -0.303 38.085 38.460 -0.120 0.000 0.989 110 Y HN 0.206 nan 8.280 nan 0.000 0.527 111 D N -0.072 120.428 120.400 0.167 0.000 2.097 111 D HA -0.168 4.471 4.640 -0.000 0.000 0.195 111 D C 2.079 178.417 176.300 0.062 0.000 0.989 111 D CA 0.948 54.995 54.000 0.077 0.000 0.827 111 D CB -0.262 40.588 40.800 0.084 0.000 0.966 111 D HN 0.205 nan 8.370 nan 0.000 0.456 112 L N 0.509 121.783 121.223 0.085 0.000 2.027 112 L HA 0.085 4.425 4.340 -0.000 0.000 0.206 112 L C 2.156 179.049 176.870 0.038 0.000 1.074 112 L CA 2.225 57.097 54.840 0.054 0.000 0.745 112 L CB -1.156 40.944 42.059 0.068 0.000 0.898 112 L HN 0.044 nan 8.230 nan 0.000 0.433 113 A N -0.475 122.386 122.820 0.067 0.000 1.933 113 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 113 A C 2.313 179.933 177.584 0.059 0.000 1.175 113 A CA 1.488 53.557 52.037 0.054 0.000 0.628 113 A CB -1.560 17.502 19.000 0.103 0.000 0.814 113 A HN 0.555 nan 8.150 nan 0.000 0.444 114 G N -0.162 108.679 108.800 0.068 0.000 2.418 114 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 114 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 114 G C 1.675 176.571 174.900 -0.007 0.000 1.158 114 G CA 1.108 46.221 45.100 0.021 0.000 0.771 114 G HN 0.591 nan 8.290 nan 0.000 0.545 115 K N 0.194 120.585 120.400 -0.014 0.000 2.057 115 K HA -0.014 4.306 4.320 -0.000 0.000 0.206 115 K C 2.701 179.285 176.600 -0.028 0.000 1.050 115 K CA 1.050 57.317 56.287 -0.033 0.000 0.935 115 K CB -0.199 32.264 32.500 -0.063 0.000 0.715 115 K HN 0.322 nan 8.250 nan 0.000 0.439 116 Q N 0.700 120.488 119.800 -0.020 0.000 2.045 116 Q HA -0.173 4.166 4.340 -0.000 0.000 0.206 116 Q C 2.039 178.030 176.000 -0.015 0.000 0.991 116 Q CA 1.530 57.322 55.803 -0.018 0.000 0.851 116 Q CB -0.233 28.495 28.738 -0.017 0.000 0.911 116 Q HN 0.341 nan 8.270 nan 0.000 0.418 117 L N -1.422 119.796 121.223 -0.008 0.000 2.446 117 L HA 0.159 4.499 4.340 -0.000 0.000 0.219 117 L C 1.206 178.070 176.870 -0.010 0.000 1.116 117 L CA 0.432 55.268 54.840 -0.006 0.000 0.844 117 L CB -0.114 41.946 42.059 0.002 0.000 0.970 117 L HN 0.445 nan 8.230 nan 0.000 0.457 118 G N 1.316 110.107 108.800 -0.014 0.000 2.149 118 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.235 118 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.235 118 G C 0.053 174.940 174.900 -0.022 0.000 1.018 118 G CA 0.162 45.252 45.100 -0.016 0.000 0.728 118 G HN 0.282 nan 8.290 nan 0.000 0.508 119 V N -3.076 116.819 119.914 -0.032 0.000 2.769 119 V HA 0.954 5.073 4.120 -0.000 0.000 0.312 119 V C -2.170 173.862 176.094 -0.103 0.000 1.061 119 V CA -2.755 59.506 62.300 -0.065 0.000 0.931 119 V CB 2.335 34.120 31.823 -0.064 0.000 1.010 119 V HN 0.087 nan 8.190 nan 0.000 0.433 120 P HA 0.199 nan 4.420 nan 0.000 0.269 120 P C 0.738 177.874 177.300 -0.272 0.000 1.215 120 P CA 0.387 63.371 63.100 -0.193 0.000 0.780 120 P CB 1.267 32.831 31.700 -0.226 0.000 0.898 121 A N 3.172 125.810 122.820 -0.302 0.000 1.978 121 A HA -0.237 4.082 4.320 -0.000 0.000 0.220 121 A C 1.994 179.592 177.584 0.023 0.000 1.170 121 A CA 1.856 53.785 52.037 -0.180 0.000 0.636 121 A CB -1.879 16.905 19.000 -0.360 0.000 0.810 121 A HN 0.721 nan 8.150 nan 0.000 0.448 122 Y N -0.401 120.073 120.300 0.290 0.000 2.274 122 Y HA -0.069 4.480 4.550 -0.000 0.000 0.290 122 Y C 1.818 177.790 175.900 0.120 0.000 1.145 122 Y CA 1.383 59.613 58.100 0.217 0.000 1.203 122 Y CB -0.643 37.940 38.460 0.205 0.000 0.984 122 Y HN 0.188 nan 8.280 nan 0.000 0.533 123 K N 0.729 121.036 120.400 -0.154 0.000 2.148 123 K HA -0.012 4.308 4.320 -0.000 0.000 0.204 123 K C 1.758 178.401 176.600 0.072 0.000 1.050 123 K CA 1.520 57.790 56.287 -0.029 0.000 0.942 123 K CB -0.209 32.191 32.500 -0.167 0.000 0.724 123 K HN 0.409 nan 8.250 nan 0.000 0.446 124 L N 0.189 121.465 121.223 0.089 0.000 2.554 124 L HA 0.056 4.395 4.340 -0.000 0.000 0.226 124 L C 1.632 178.608 176.870 0.176 0.000 1.137 124 L CA 0.353 55.303 54.840 0.183 0.000 0.863 124 L CB -0.071 42.143 42.059 0.258 0.000 0.985 124 L HN 0.183 nan 8.230 nan 0.000 0.451 125 M N -0.857 118.819 119.600 0.126 0.000 2.453 125 M HA 0.260 4.740 4.480 -0.000 0.000 0.239 125 M C 1.285 177.649 176.300 0.106 0.000 1.151 125 M CA 0.534 55.884 55.300 0.083 0.000 0.989 125 M CB 0.679 33.301 32.600 0.038 0.000 1.548 125 M HN 0.321 nan 8.290 nan 0.000 0.479 126 G N 0.160 109.035 108.800 0.124 0.000 2.307 126 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.210 126 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.210 126 G C 0.390 175.358 174.900 0.113 0.000 1.005 126 G CA -0.366 44.798 45.100 0.107 0.000 0.634 126 G HN 0.942 nan 8.290 nan 0.000 0.496 127 G N -0.664 108.236 108.800 0.166 0.000 2.539 127 G HA2 0.518 4.478 3.960 -0.000 0.000 0.686 127 G HA3 0.518 4.478 3.960 -0.000 0.000 0.686 127 G C 0.047 175.038 174.900 0.153 0.000 1.258 127 G CA 0.834 46.067 45.100 0.221 0.000 0.846 127 G HN 2.112 nan 8.290 nan 0.000 0.647 128 A N 0.203 123.094 122.820 0.117 0.000 2.477 128 A HA 0.623 4.943 4.320 -0.000 0.000 0.246 128 A C 0.933 178.472 177.584 -0.075 0.000 1.078 128 A CA 0.988 52.951 52.037 -0.124 0.000 0.770 128 A CB 0.462 19.247 19.000 -0.358 0.000 1.011 128 A HN 0.844 nan 8.150 nan 0.000 0.494 129 Q N 0.269 120.017 119.800 -0.087 0.000 2.127 129 Q HA 0.126 4.465 4.340 -0.000 0.000 0.222 129 Q C -0.323 175.640 176.000 -0.063 0.000 0.794 129 Q CA 0.064 55.826 55.803 -0.069 0.000 1.010 129 Q CB 0.519 29.222 28.738 -0.058 0.000 1.170 129 Q HN 0.863 nan 8.270 nan 0.000 0.479 130 K N -2.246 118.102 120.400 -0.087 0.000 2.482 130 K HA 0.737 5.056 4.320 -0.000 0.000 0.257 130 K C 0.222 176.765 176.600 -0.095 0.000 0.969 130 K CA -0.359 55.881 56.287 -0.078 0.000 0.842 130 K CB 1.278 33.736 32.500 -0.070 0.000 1.359 130 K HN -0.134 nan 8.250 nan 0.000 0.441 131 A N 0.966 123.741 122.820 -0.074 0.000 1.902 131 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 131 A C 0.450 177.984 177.584 -0.083 0.000 1.181 131 A CA 1.275 53.269 52.037 -0.071 0.000 0.623 131 A CB -0.258 18.712 19.000 -0.050 0.000 0.818 131 A HN 0.704 nan 8.150 nan 0.000 0.443 132 Q N -1.701 118.051 119.800 -0.079 0.000 2.377 132 Q HA 0.493 4.832 4.340 -0.000 0.000 0.279 132 Q C -1.954 173.999 176.000 -0.078 0.000 1.049 132 Q CA -0.908 54.849 55.803 -0.076 0.000 0.825 132 Q CB 2.149 30.857 28.738 -0.050 0.000 1.401 132 Q HN 0.293 nan 8.270 nan 0.000 0.404 133 L N 1.647 122.820 121.223 -0.084 0.000 2.278 133 L HA 0.366 4.705 4.340 -0.000 0.000 0.287 133 L C -0.869 175.970 176.870 -0.052 0.000 1.072 133 L CA 0.659 55.454 54.840 -0.075 0.000 0.819 133 L CB 1.046 43.050 42.059 -0.092 0.000 1.176 133 L HN 0.528 nan 8.230 nan 0.000 0.435 134 T N 7.093 121.636 114.554 -0.018 0.000 3.053 134 T HA 0.468 4.818 4.350 -0.000 0.000 0.363 134 T C -2.515 172.222 174.700 0.061 0.000 1.239 134 T CA -1.023 61.099 62.100 0.036 0.000 1.071 134 T CB 0.832 69.752 68.868 0.087 0.000 1.089 134 T HN 0.410 nan 8.240 nan 0.000 0.527 135 P HA 0.349 nan 4.420 nan 0.000 0.279 135 P C -1.033 175.962 177.300 -0.508 0.000 1.276 135 P CA -0.819 62.069 63.100 -0.354 0.000 0.801 135 P CB 0.447 31.735 31.700 -0.686 0.000 1.127 136 Y N -1.178 118.793 120.300 -0.548 0.000 2.342 136 Y HA 0.684 5.234 4.550 -0.000 0.000 0.334 136 Y C -1.141 174.413 175.900 -0.577 0.000 1.067 136 Y CA -1.444 56.263 58.100 -0.656 0.000 1.128 136 Y CB 0.353 38.409 38.460 -0.673 0.000 1.200 136 Y HN 0.047 nan 8.280 nan 0.000 0.464 137 F N 2.134 122.100 119.950 0.025 0.000 2.405 137 F HA 0.395 4.922 4.527 -0.001 0.000 0.355 137 F C 0.403 176.256 175.800 0.088 0.000 1.121 137 F CA -0.716 57.306 58.000 0.037 0.000 1.112 137 F CB 1.524 40.484 39.000 -0.067 0.000 1.126 137 F HN 0.533 nan 8.300 nan 0.000 0.481 138 T N 5.515 120.263 114.554 0.324 0.000 2.814 138 T HA 0.445 4.795 4.350 -0.000 0.000 0.297 138 T C -0.085 174.835 174.700 0.366 0.000 0.956 138 T CA -0.254 62.062 62.100 0.362 0.000 1.123 138 T CB 0.108 69.234 68.868 0.431 0.000 0.902 138 T HN 0.315 nan 8.240 nan 0.000 0.528 139 L N 4.275 125.677 121.223 0.299 0.000 2.319 139 L HA 0.501 4.841 4.340 -0.000 0.000 0.281 139 L C -0.953 176.199 176.870 0.470 0.000 1.005 139 L CA -1.044 54.012 54.840 0.359 0.000 0.828 139 L CB 0.960 43.190 42.059 0.285 0.000 1.227 139 L HN 0.637 nan 8.230 nan 0.000 0.415 140 Y N 5.730 126.200 120.300 0.283 0.000 2.350 140 Y HA 0.566 5.116 4.550 -0.000 0.000 0.338 140 Y C -2.408 173.592 175.900 0.167 0.000 0.961 140 Y CA -1.935 56.236 58.100 0.120 0.000 1.100 140 Y CB 2.276 40.663 38.460 -0.122 0.000 1.179 140 Y HN 0.351 nan 8.280 nan 0.000 0.454 141 P HA 0.164 nan 4.420 nan 0.000 0.284 141 P C -0.980 176.400 177.300 0.133 0.000 1.258 141 P CA -0.557 62.432 63.100 -0.185 0.000 0.824 141 P CB 1.745 33.082 31.700 -0.604 0.000 1.038 142 S N 1.112 116.920 115.700 0.181 0.000 2.411 142 S HA 0.442 4.912 4.470 -0.000 0.000 0.304 142 S C -0.073 174.569 174.600 0.071 0.000 1.098 142 S CA -0.429 57.878 58.200 0.177 0.000 1.068 142 S CB -1.191 62.046 63.200 0.062 0.000 1.032 142 S HN 0.306 nan 8.310 nan 0.000 0.511 143 V N 2.226 122.186 119.914 0.078 0.000 3.078 143 V HA 0.941 5.061 4.120 -0.000 0.000 0.311 143 V C 0.078 176.202 176.094 0.050 0.000 1.138 143 V CA -1.498 60.819 62.300 0.029 0.000 1.007 143 V CB 1.129 32.938 31.823 -0.023 0.000 1.045 143 V HN 0.774 nan 8.190 nan 0.000 0.432 144 A N 1.836 124.674 122.820 0.030 0.000 2.477 144 A HA 0.733 5.052 4.320 -0.000 0.000 0.246 144 A C 0.880 178.482 177.584 0.030 0.000 1.078 144 A CA 0.326 52.382 52.037 0.032 0.000 0.770 144 A CB -0.132 18.880 19.000 0.020 0.000 1.011 144 A HN 2.297 nan 8.150 nan 0.000 0.494 145 A N 2.115 124.960 122.820 0.041 0.000 2.555 145 A HA 0.416 4.736 4.320 -0.000 0.000 0.233 145 A C 1.365 178.957 177.584 0.015 0.000 1.060 145 A CA 1.454 53.512 52.037 0.033 0.000 0.759 145 A CB -0.920 18.104 19.000 0.040 0.000 0.995 145 A HN 2.570 nan 8.150 nan 0.000 0.506 146 D N -1.445 118.957 120.400 0.003 0.000 3.079 146 D HA 0.179 4.818 4.640 -0.000 0.000 0.214 146 D C 0.676 176.969 176.300 -0.012 0.000 1.145 146 D CA 1.596 55.592 54.000 -0.007 0.000 0.958 146 D CB -2.166 38.632 40.800 -0.002 0.000 1.117 146 D HN 2.410 nan 8.370 nan 0.000 0.416 147 A N 0.282 123.095 122.820 -0.013 0.000 2.531 147 A HA 0.571 4.891 4.320 -0.000 0.000 0.236 147 A C 1.378 178.943 177.584 -0.031 0.000 1.062 147 A CA 1.053 53.080 52.037 -0.017 0.000 0.760 147 A CB 0.137 19.125 19.000 -0.019 0.000 0.995 147 A HN 1.701 nan 8.150 nan 0.000 0.501 148 T N 0.569 115.110 114.554 -0.023 0.000 2.828 148 T HA 0.392 4.742 4.350 -0.000 0.000 0.290 148 T C 1.266 175.945 174.700 -0.036 0.000 1.019 148 T CA -0.473 61.609 62.100 -0.030 0.000 1.031 148 T CB 0.401 69.263 68.868 -0.012 0.000 1.001 148 T HN 0.418 nan 8.240 nan 0.000 0.531 149 L N 0.918 122.104 121.223 -0.061 0.000 2.079 149 L HA -0.098 4.241 4.340 -0.000 0.000 0.210 149 L C 3.123 180.047 176.870 0.090 0.000 1.081 149 L CA 1.603 56.397 54.840 -0.076 0.000 0.752 149 L CB -0.732 41.250 42.059 -0.128 0.000 0.896 149 L HN 0.912 nan 8.230 nan 0.000 0.433 150 S N -0.280 115.462 115.700 0.071 0.000 2.371 150 S HA -0.177 4.292 4.470 -0.000 0.000 0.224 150 S C 1.792 176.439 174.600 0.080 0.000 1.029 150 S CA 1.207 59.461 58.200 0.090 0.000 0.978 150 S CB -0.044 63.191 63.200 0.059 0.000 0.833 150 S HN 0.431 nan 8.310 nan 0.000 0.466 151 E N 0.445 120.674 120.200 0.049 0.000 2.110 151 E HA -0.099 4.251 4.350 -0.000 0.000 0.193 151 E C 1.960 178.586 176.600 0.044 0.000 0.988 151 E CA 1.438 57.860 56.400 0.037 0.000 0.804 151 E CB -0.238 29.471 29.700 0.015 0.000 0.745 151 E HN 0.579 nan 8.360 nan 0.000 0.458 152 I N 0.397 121.003 120.570 0.061 0.000 2.226 152 I HA -0.254 3.915 4.170 -0.000 0.000 0.245 152 I C 2.302 178.531 176.117 0.187 0.000 1.100 152 I CA 0.746 62.093 61.300 0.078 0.000 1.374 152 I CB -0.175 37.886 38.000 0.103 0.000 1.057 152 I HN -0.007 nan 8.210 nan 0.000 0.413 153 V N 0.543 120.617 119.914 0.266 0.000 2.343 153 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 153 V C 2.506 178.699 176.094 0.165 0.000 1.051 153 V CA 1.690 64.141 62.300 0.252 0.000 1.036 153 V CB -0.598 31.329 31.823 0.174 0.000 0.654 153 V HN 0.390 nan 8.190 nan 0.000 0.451 154 E N 0.370 120.634 120.200 0.107 0.000 2.110 154 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 154 E C 2.310 178.946 176.600 0.059 0.000 0.988 154 E CA 1.514 57.956 56.400 0.071 0.000 0.804 154 E CB -0.530 29.200 29.700 0.050 0.000 0.745 154 E HN 0.590 nan 8.360 nan 0.000 0.458 155 A N 0.058 122.899 122.820 0.034 0.000 1.968 155 A HA -0.152 4.167 4.320 -0.000 0.000 0.217 155 A C 1.927 179.502 177.584 -0.014 0.000 1.169 155 A CA 0.826 52.855 52.037 -0.014 0.000 0.638 155 A CB -0.620 18.336 19.000 -0.074 0.000 0.812 155 A HN 0.186 nan 8.150 nan 0.000 0.446 156 Y N 0.634 120.954 120.300 0.034 0.000 2.224 156 Y HA -0.168 4.381 4.550 -0.000 0.000 0.289 156 Y C 2.306 178.211 175.900 0.008 0.000 1.146 156 Y CA 1.589 59.699 58.100 0.016 0.000 1.182 156 Y CB -0.240 38.208 38.460 -0.020 0.000 0.983 156 Y HN 0.305 nan 8.280 nan 0.000 0.524 157 K N -0.345 120.154 120.400 0.165 0.000 2.044 157 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 157 K C -0.475 176.175 176.600 0.083 0.000 1.049 157 K CA 2.005 58.347 56.287 0.093 0.000 0.927 157 K CB -1.460 31.076 32.500 0.060 0.000 0.713 157 K HN 0.306 nan 8.250 nan 0.000 0.443 158 P HA -0.157 nan 4.420 nan 0.000 0.216 158 P C 1.543 178.915 177.300 0.119 0.000 1.153 158 P CA 1.285 64.434 63.100 0.083 0.000 0.848 158 P CB -0.047 31.696 31.700 0.071 0.000 0.787 159 L N -0.780 120.537 121.223 0.156 0.000 1.990 159 L HA -0.191 4.149 4.340 -0.000 0.000 0.213 159 L C 2.782 179.731 176.870 0.132 0.000 1.072 159 L CA 1.617 56.583 54.840 0.210 0.000 0.755 159 L CB -0.879 41.328 42.059 0.248 0.000 0.889 159 L HN -0.144 nan 8.230 nan 0.000 0.432 160 I N -0.528 120.097 120.570 0.091 0.000 2.361 160 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 160 I C 2.682 178.804 176.117 0.008 0.000 1.133 160 I CA 1.105 62.404 61.300 -0.001 0.000 1.413 160 I CB -0.373 37.604 38.000 -0.038 0.000 1.073 160 I HN 0.214 nan 8.210 nan 0.000 0.424 161 A N 0.286 123.131 122.820 0.041 0.000 1.930 161 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 161 A C 2.363 179.981 177.584 0.056 0.000 1.175 161 A CA 1.501 53.559 52.037 0.036 0.000 0.627 161 A CB -0.421 18.602 19.000 0.037 0.000 0.815 161 A HN 0.298 nan 8.150 nan 0.000 0.443 162 K N -0.344 120.121 120.400 0.108 0.000 2.097 162 K HA -0.070 4.250 4.320 -0.000 0.000 0.206 162 K C 2.119 178.845 176.600 0.209 0.000 1.049 162 K CA 1.065 57.447 56.287 0.159 0.000 0.933 162 K CB -0.255 32.386 32.500 0.236 0.000 0.717 162 K HN 0.404 nan 8.250 nan 0.000 0.442 163 A N 1.347 124.271 122.820 0.173 0.000 1.930 163 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 163 A C 1.802 179.390 177.584 0.008 0.000 1.175 163 A CA 1.386 53.453 52.037 0.050 0.000 0.627 163 A CB -0.255 18.597 19.000 -0.247 0.000 0.815 163 A HN 0.246 nan 8.150 nan 0.000 0.443 164 K N -0.429 119.969 120.400 -0.002 0.000 2.097 164 K HA -0.134 4.185 4.320 -0.000 0.000 0.206 164 K C 1.900 178.499 176.600 -0.001 0.000 1.049 164 K CA 1.228 57.510 56.287 -0.008 0.000 0.933 164 K CB -0.106 32.388 32.500 -0.010 0.000 0.717 164 K HN 0.417 nan 8.250 nan 0.000 0.442 165 E N 0.637 120.841 120.200 0.008 0.000 2.204 165 E HA -0.127 4.222 4.350 -0.000 0.000 0.194 165 E C 1.614 178.200 176.600 -0.024 0.000 0.989 165 E CA 0.783 57.181 56.400 -0.004 0.000 0.824 165 E CB 0.275 29.975 29.700 0.001 0.000 0.756 165 E HN 0.194 nan 8.360 nan 0.000 0.477 166 R N -0.863 119.618 120.500 -0.033 0.000 2.317 166 R HA 0.085 4.425 4.340 -0.000 0.000 0.208 166 R C 1.210 177.476 176.300 -0.056 0.000 0.914 166 R CA 0.680 56.732 56.100 -0.080 0.000 1.060 166 R CB 0.359 30.562 30.300 -0.161 0.000 1.015 166 R HN 0.190 nan 8.270 nan 0.000 0.498 167 G N 1.207 109.992 108.800 -0.023 0.000 2.149 167 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.235 167 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.235 167 G C 0.284 175.201 174.900 0.027 0.000 1.018 167 G CA 0.169 45.269 45.100 -0.001 0.000 0.728 167 G HN 0.550 nan 8.290 nan 0.000 0.508 168 A N -0.251 122.586 122.820 0.027 0.000 2.546 168 A HA 0.553 4.873 4.320 -0.000 0.000 0.243 168 A C 1.505 179.132 177.584 0.071 0.000 1.063 168 A CA 0.931 53.033 52.037 0.109 0.000 0.757 168 A CB 0.407 19.468 19.000 0.101 0.000 0.991 168 A HN 0.223 nan 8.150 nan 0.000 0.503 169 K N 0.757 121.212 120.400 0.092 0.000 2.305 169 K HA 0.238 4.558 4.320 -0.000 0.000 0.199 169 K C 0.533 177.071 176.600 -0.104 0.000 1.047 169 K CA 1.337 57.654 56.287 0.049 0.000 0.976 169 K CB -0.214 32.395 32.500 0.183 0.000 0.765 169 K HN 0.912 nan 8.250 nan 0.000 0.474 170 A N 0.331 123.016 122.820 -0.225 0.000 2.589 170 A HA 0.551 4.870 4.320 -0.000 0.000 0.296 170 A C -1.079 176.353 177.584 -0.252 0.000 1.062 170 A CA -0.729 51.047 52.037 -0.434 0.000 0.686 170 A CB 1.422 19.766 19.000 -1.093 0.000 1.282 170 A HN -0.063 nan 8.150 nan 0.000 0.404 171 V N -1.222 118.529 119.914 -0.271 0.000 3.007 171 V HA 0.835 4.955 4.120 -0.000 0.000 0.311 171 V C -0.679 175.271 176.094 -0.241 0.000 1.120 171 V CA -0.924 61.280 62.300 -0.160 0.000 0.980 171 V CB 1.825 33.546 31.823 -0.171 0.000 1.033 171 V HN 1.040 nan 8.190 nan 0.000 0.429 172 K N 2.168 122.512 120.400 -0.093 0.000 2.244 172 K HA 0.795 5.115 4.320 -0.000 0.000 0.260 172 K C -0.635 175.931 176.600 -0.055 0.000 0.951 172 K CA -0.581 55.624 56.287 -0.136 0.000 0.826 172 K CB 1.946 34.449 32.500 0.005 0.000 1.108 172 K HN 1.127 nan 8.250 nan 0.000 0.433 173 V N 0.261 120.092 119.914 -0.139 0.000 3.096 173 V HA 0.711 4.831 4.120 -0.000 0.000 0.319 173 V C -0.575 175.540 176.094 0.035 0.000 1.103 173 V CA -0.759 61.459 62.300 -0.136 0.000 1.016 173 V CB 1.415 32.905 31.823 -0.555 0.000 1.090 173 V HN 0.890 nan 8.190 nan 0.000 0.449 174 C N 1.502 120.910 119.300 0.180 0.000 2.779 174 C HA 0.674 5.134 4.460 -0.000 0.000 0.314 174 C C -0.034 175.123 174.990 0.279 0.000 1.231 174 C CA -0.697 58.444 59.018 0.206 0.000 1.652 174 C CB 1.210 29.072 27.740 0.203 0.000 2.198 174 C HN 0.842 nan 8.230 nan 0.000 0.483 175 I N 3.325 124.029 120.570 0.225 0.000 2.307 175 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 175 I C -0.074 176.073 176.117 0.050 0.000 1.054 175 I CA -0.089 61.309 61.300 0.163 0.000 1.218 175 I CB 0.155 38.225 38.000 0.118 0.000 1.398 175 I HN 0.438 nan 8.210 nan 0.000 0.475 176 I N 7.567 128.135 120.570 -0.002 0.000 2.821 176 I HA 0.021 4.191 4.170 -0.000 0.000 0.294 176 I C -1.905 174.191 176.117 -0.034 0.000 1.210 176 I CA -1.446 59.848 61.300 -0.010 0.000 1.430 176 I CB -0.688 37.276 38.000 -0.060 0.000 1.356 176 I HN 0.217 nan 8.210 nan 0.000 0.563 177 P HA 0.033 nan 4.420 nan 0.000 0.261 177 P C -0.205 177.064 177.300 -0.050 0.000 1.183 177 P CA 0.497 63.583 63.100 -0.024 0.000 0.761 177 P CB 0.240 31.952 31.700 0.020 0.000 0.785 178 N N 2.377 121.024 118.700 -0.088 0.000 2.976 178 N HA 0.046 4.786 4.740 -0.000 0.000 0.249 178 N C -0.537 174.909 175.510 -0.107 0.000 1.258 178 N CA -0.390 52.604 53.050 -0.092 0.000 0.864 178 N CB 0.701 39.119 38.487 -0.116 0.000 1.551 178 N HN 0.179 nan 8.380 nan 0.000 0.607 179 D N 2.247 122.598 120.400 -0.082 0.000 2.339 179 D HA 0.047 4.686 4.640 -0.000 0.000 0.217 179 D C 0.550 176.808 176.300 -0.071 0.000 1.050 179 D CA 0.338 54.289 54.000 -0.083 0.000 0.856 179 D CB 0.359 41.123 40.800 -0.061 0.000 0.922 179 D HN 0.368 nan 8.370 nan 0.000 0.518 180 K N -0.047 120.314 120.400 -0.066 0.000 2.404 180 K HA 0.202 4.521 4.320 -0.000 0.000 0.194 180 K C -0.397 176.166 176.600 -0.061 0.000 1.023 180 K CA -0.092 56.162 56.287 -0.055 0.000 1.094 180 K CB 1.214 33.687 32.500 -0.044 0.000 0.841 180 K HN 0.057 nan 8.250 nan 0.000 0.523 181 V N 1.555 121.421 119.914 -0.080 0.000 2.555 181 V HA 0.162 4.281 4.120 -0.000 0.000 0.302 181 V C -0.226 175.822 176.094 -0.076 0.000 1.038 181 V CA -0.684 61.568 62.300 -0.079 0.000 0.887 181 V CB 1.908 33.668 31.823 -0.105 0.000 0.991 181 V HN 0.284 nan 8.190 nan 0.000 0.434 182 S N 3.196 118.868 115.700 -0.046 0.000 2.652 182 S HA 0.260 4.730 4.470 -0.000 0.000 0.270 182 S C 0.658 175.267 174.600 0.015 0.000 1.243 182 S CA -0.373 57.807 58.200 -0.033 0.000 0.999 182 S CB 1.202 64.383 63.200 -0.031 0.000 0.973 182 S HN 0.707 nan 8.310 nan 0.000 0.544 183 D N 0.783 121.215 120.400 0.053 0.000 2.144 183 D HA -0.062 4.578 4.640 -0.000 0.000 0.199 183 D C 1.680 178.169 176.300 0.314 0.000 0.984 183 D CA 1.072 55.207 54.000 0.224 0.000 0.834 183 D CB -0.231 40.764 40.800 0.324 0.000 0.955 183 D HN 0.560 nan 8.370 nan 0.000 0.465 184 K N 1.476 122.019 120.400 0.237 0.000 2.063 184 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 184 K C 1.706 178.413 176.600 0.179 0.000 1.048 184 K CA 1.306 57.769 56.287 0.292 0.000 0.928 184 K CB -0.279 32.333 32.500 0.186 0.000 0.713 184 K HN 0.178 nan 8.250 nan 0.000 0.442 185 E N -0.348 119.920 120.200 0.113 0.000 2.150 185 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 185 E C 1.821 178.490 176.600 0.115 0.000 0.985 185 E CA 0.800 57.252 56.400 0.085 0.000 0.814 185 E CB -0.045 29.672 29.700 0.030 0.000 0.752 185 E HN 0.178 nan 8.360 nan 0.000 0.466 186 I N 0.623 121.270 120.570 0.128 0.000 2.252 186 I HA -0.198 3.972 4.170 -0.000 0.000 0.245 186 I C 2.352 178.601 176.117 0.221 0.000 1.102 186 I CA 0.900 62.312 61.300 0.187 0.000 1.385 186 I CB -1.030 37.083 38.000 0.189 0.000 1.064 186 I HN 0.008 nan 8.210 nan 0.000 0.414 187 V N 1.489 121.498 119.914 0.159 0.000 2.282 187 V HA -0.320 3.799 4.120 -0.000 0.000 0.249 187 V C 2.834 178.970 176.094 0.071 0.000 1.057 187 V CA 2.082 64.422 62.300 0.066 0.000 1.032 187 V CB -1.177 30.654 31.823 0.013 0.000 0.645 187 V HN 0.473 nan 8.190 nan 0.000 0.447 188 A N -0.915 121.966 122.820 0.102 0.000 1.877 188 A HA -0.290 4.029 4.320 -0.000 0.000 0.216 188 A C 2.162 179.813 177.584 0.111 0.000 1.186 188 A CA 2.196 54.286 52.037 0.088 0.000 0.620 188 A CB -0.904 18.150 19.000 0.091 0.000 0.822 188 A HN 0.673 nan 8.150 nan 0.000 0.443 189 Y N 0.677 120.987 120.300 0.017 0.000 2.069 189 Y HA -0.251 4.298 4.550 -0.000 0.000 0.278 189 Y C 1.907 177.803 175.900 -0.008 0.000 1.175 189 Y CA 2.222 60.329 58.100 0.012 0.000 1.134 189 Y CB -0.415 38.060 38.460 0.024 0.000 0.965 189 Y HN 0.214 nan 8.280 nan 0.000 0.498 190 L N -0.317 120.854 121.223 -0.087 0.000 2.217 190 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 190 L C 2.619 179.382 176.870 -0.178 0.000 1.107 190 L CA 1.028 55.734 54.840 -0.224 0.000 0.783 190 L CB -0.464 41.568 42.059 -0.045 0.000 0.919 190 L HN 0.171 nan 8.230 nan 0.000 0.442 191 R N 0.027 120.473 120.500 -0.090 0.000 2.075 191 R HA -0.190 4.150 4.340 -0.000 0.000 0.232 191 R C 2.172 178.414 176.300 -0.098 0.000 1.126 191 R CA 1.389 57.446 56.100 -0.073 0.000 0.963 191 R CB -0.222 30.067 30.300 -0.019 0.000 0.858 191 R HN 0.376 nan 8.270 nan 0.000 0.435 192 E N 1.003 121.148 120.200 -0.092 0.000 2.110 192 E HA -0.178 4.171 4.350 -0.000 0.000 0.193 192 E C 1.951 178.449 176.600 -0.170 0.000 0.988 192 E CA 0.892 57.236 56.400 -0.092 0.000 0.804 192 E CB 0.044 29.719 29.700 -0.042 0.000 0.745 192 E HN 0.276 nan 8.360 nan 0.000 0.458 193 L N 0.269 121.323 121.223 -0.283 0.000 2.093 193 L HA -0.150 4.189 4.340 -0.000 0.000 0.208 193 L C 2.760 179.436 176.870 -0.325 0.000 1.085 193 L CA 1.003 55.632 54.840 -0.352 0.000 0.755 193 L CB -0.396 41.343 42.059 -0.533 0.000 0.904 193 L HN 0.077 nan 8.230 nan 0.000 0.435 194 R N 1.062 121.371 120.500 -0.319 0.000 2.083 194 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 194 R C 1.989 178.059 176.300 -0.383 0.000 1.137 194 R CA 1.808 57.662 56.100 -0.410 0.000 0.951 194 R CB -0.502 29.529 30.300 -0.448 0.000 0.851 194 R HN 0.376 nan 8.270 nan 0.000 0.434 195 E N -0.537 119.534 120.200 -0.216 0.000 2.097 195 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 195 E C 1.911 178.438 176.600 -0.123 0.000 1.000 195 E CA 1.825 58.159 56.400 -0.111 0.000 0.804 195 E CB -0.144 29.536 29.700 -0.034 0.000 0.740 195 E HN 0.194 nan 8.360 nan 0.000 0.454 196 V N 1.020 120.848 119.914 -0.143 0.000 2.453 196 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 196 V C 2.190 178.196 176.094 -0.146 0.000 1.048 196 V CA 1.375 63.606 62.300 -0.116 0.000 1.049 196 V CB -0.310 31.450 31.823 -0.105 0.000 0.672 196 V HN 0.233 nan 8.190 nan 0.000 0.457 197 I N -0.364 120.072 120.570 -0.225 0.000 2.353 197 I HA 0.152 4.321 4.170 -0.000 0.000 0.248 197 I C 1.481 177.456 176.117 -0.236 0.000 1.119 197 I CA 1.115 62.272 61.300 -0.239 0.000 1.417 197 I CB -0.556 37.258 38.000 -0.310 0.000 1.078 197 I HN 0.519 nan 8.210 nan 0.000 0.421 198 G N -0.166 108.440 108.800 -0.323 0.000 2.693 198 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.226 198 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.226 198 G C -0.553 174.068 174.900 -0.466 0.000 1.354 198 G CA -0.065 44.861 45.100 -0.290 0.000 0.873 198 G HN 0.325 nan 8.290 nan 0.000 0.562 199 W N -0.369 120.912 121.300 -0.031 0.000 2.991 199 W HA 0.456 5.116 4.660 -0.000 0.000 0.391 199 W C 1.303 177.811 176.519 -0.018 0.000 1.054 199 W CA 0.274 57.604 57.345 -0.025 0.000 1.856 199 W CB 0.714 30.163 29.460 -0.019 0.000 1.132 199 W HN 0.449 nan 8.180 nan 0.000 0.601 200 D N -0.210 120.250 120.400 0.100 0.000 2.392 200 D HA 0.156 4.796 4.640 -0.000 0.000 0.206 200 D C 0.693 177.006 176.300 0.020 0.000 1.046 200 D CA 0.761 54.801 54.000 0.068 0.000 0.865 200 D CB 0.290 41.120 40.800 0.050 0.000 0.969 200 D HN 0.057 nan 8.370 nan 0.000 0.509 201 M N 0.623 120.200 119.600 -0.039 0.000 2.508 201 M HA 0.236 4.715 4.480 -0.000 0.000 0.327 201 M C -0.427 175.804 176.300 -0.114 0.000 1.160 201 M CA -0.842 54.411 55.300 -0.079 0.000 0.980 201 M CB 2.113 34.642 32.600 -0.118 0.000 1.693 201 M HN -0.324 nan 8.290 nan 0.000 0.452 202 D N 2.822 123.141 120.400 -0.135 0.000 2.414 202 D HA 0.202 4.842 4.640 -0.000 0.000 0.242 202 D C -0.798 175.322 176.300 -0.299 0.000 1.129 202 D CA 0.500 54.389 54.000 -0.184 0.000 0.885 202 D CB 1.051 41.686 40.800 -0.276 0.000 1.198 202 D HN 0.487 nan 8.370 nan 0.000 0.437 203 M N 3.001 122.442 119.600 -0.266 0.000 2.181 203 M HA 0.331 4.811 4.480 -0.000 0.000 0.323 203 M C -1.571 174.512 176.300 -0.363 0.000 1.004 203 M CA -0.616 54.492 55.300 -0.320 0.000 0.941 203 M CB 0.960 33.382 32.600 -0.296 0.000 1.579 203 M HN 0.168 nan 8.290 nan 0.000 0.427 204 M N 4.227 123.520 119.600 -0.511 0.000 2.578 204 M HA 0.638 5.117 4.480 -0.000 0.000 0.321 204 M C -1.072 175.018 176.300 -0.350 0.000 1.182 204 M CA -0.622 54.270 55.300 -0.681 0.000 0.965 204 M CB 2.261 33.992 32.600 -1.449 0.000 1.694 204 M HN 0.411 nan 8.290 nan 0.000 0.461 205 V N 0.689 120.506 119.914 -0.161 0.000 2.531 205 V HA 0.393 4.512 4.120 -0.000 0.000 0.301 205 V C -1.255 174.923 176.094 0.139 0.000 1.034 205 V CA -0.801 61.511 62.300 0.019 0.000 0.865 205 V CB 1.955 33.849 31.823 0.118 0.000 0.995 205 V HN 0.763 nan 8.190 nan 0.000 0.424 206 D N 2.796 123.281 120.400 0.142 0.000 2.396 206 D HA 0.265 4.905 4.640 -0.000 0.000 0.225 206 D C 0.782 177.167 176.300 0.142 0.000 1.121 206 D CA -0.252 53.833 54.000 0.141 0.000 0.853 206 D CB 1.310 42.188 40.800 0.131 0.000 1.043 206 D HN 0.564 nan 8.370 nan 0.000 0.500 207 C N 3.490 122.878 119.300 0.146 0.000 2.472 207 C HA 0.089 4.548 4.460 -0.000 0.000 0.278 207 C C 1.665 176.687 174.990 0.053 0.000 1.447 207 C CA -0.310 58.832 59.018 0.207 0.000 1.773 207 C CB -1.719 26.277 27.740 0.427 0.000 1.793 207 C HN 0.805 nan 8.230 nan 0.000 0.544 208 L N -0.435 120.758 121.223 -0.051 0.000 3.742 208 L HA -0.297 4.043 4.340 -0.000 0.000 0.431 208 L C 0.009 176.911 176.870 0.053 0.000 1.220 208 L CA 0.205 55.029 54.840 -0.026 0.000 0.863 208 L CB -2.095 40.014 42.059 0.084 0.000 1.751 208 L HN 0.551 nan 8.230 nan 0.000 0.922 209 Y N -2.962 117.426 120.300 0.148 0.000 4.032 209 Y HA -0.329 4.221 4.550 -0.000 0.000 0.230 209 Y C 1.765 177.722 175.900 0.094 0.000 1.202 209 Y CA 1.254 59.449 58.100 0.157 0.000 1.878 209 Y CB -1.762 36.776 38.460 0.130 0.000 1.586 209 Y HN 0.526 nan 8.280 nan 0.000 0.673 210 R N -0.186 120.351 120.500 0.061 0.000 2.081 210 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 210 R C 0.590 176.801 176.300 -0.149 0.000 1.131 210 R CA 1.366 57.340 56.100 -0.209 0.000 0.960 210 R CB 0.111 29.984 30.300 -0.711 0.000 0.856 210 R HN 0.370 nan 8.270 nan 0.000 0.436 211 W N 0.413 121.795 121.300 0.136 0.000 2.449 211 W HA 0.154 4.813 4.660 -0.001 0.000 0.331 211 W C 0.858 177.452 176.519 0.125 0.000 1.119 211 W CA -0.220 57.198 57.345 0.121 0.000 1.240 211 W CB 1.695 31.237 29.460 0.137 0.000 1.251 211 W HN 0.170 nan 8.180 nan 0.000 0.576 212 T N -2.722 112.029 114.554 0.329 0.000 3.056 212 T HA -0.057 4.293 4.350 -0.000 0.000 0.243 212 T C 0.100 174.935 174.700 0.225 0.000 0.995 212 T CA 0.218 62.459 62.100 0.235 0.000 1.091 212 T CB -0.101 68.862 68.868 0.158 0.000 0.990 212 T HN 0.170 nan 8.240 nan 0.000 0.464 213 D N 2.038 122.567 120.400 0.214 0.000 2.336 213 D HA 0.070 4.710 4.640 -0.000 0.000 0.249 213 D C 1.256 177.637 176.300 0.136 0.000 1.213 213 D CA -1.000 53.086 54.000 0.145 0.000 0.870 213 D CB 0.332 41.168 40.800 0.060 0.000 1.076 213 D HN 0.486 nan 8.370 nan 0.000 0.483 214 W N 4.221 125.539 121.300 0.031 0.000 2.331 214 W HA -0.217 4.443 4.660 -0.000 0.000 0.291 214 W C 0.661 177.168 176.519 -0.021 0.000 1.214 214 W CA 0.512 57.845 57.345 -0.019 0.000 1.228 214 W CB -0.614 28.825 29.460 -0.035 0.000 1.135 214 W HN 0.419 nan 8.180 nan 0.000 0.537 215 Q N 1.243 120.528 119.800 -0.858 0.000 2.291 215 Q HA -0.166 4.174 4.340 -0.000 0.000 0.205 215 Q C 2.064 177.883 176.000 -0.303 0.000 0.970 215 Q CA 1.766 57.077 55.803 -0.820 0.000 0.876 215 Q CB -0.288 27.963 28.738 -0.811 0.000 0.935 215 Q HN 0.501 nan 8.270 nan 0.000 0.455 216 K N 0.412 120.711 120.400 -0.168 0.000 2.098 216 K HA 0.042 4.362 4.320 -0.000 0.000 0.203 216 K C 2.053 178.546 176.600 -0.179 0.000 1.051 216 K CA 0.789 57.057 56.287 -0.031 0.000 0.957 216 K CB 0.000 32.586 32.500 0.142 0.000 0.738 216 K HN 0.081 nan 8.250 nan 0.000 0.447 217 A N 1.664 124.201 122.820 -0.472 0.000 1.908 217 A HA -0.205 4.114 4.320 -0.000 0.000 0.218 217 A C 2.150 179.591 177.584 -0.239 0.000 1.181 217 A CA 1.617 53.185 52.037 -0.782 0.000 0.627 217 A CB -0.620 18.104 19.000 -0.460 0.000 0.818 217 A HN 0.345 nan 8.150 nan 0.000 0.445 218 R N -1.820 118.630 120.500 -0.083 0.000 2.091 218 R HA -0.229 4.111 4.340 -0.000 0.000 0.238 218 R C 2.041 178.336 176.300 -0.009 0.000 1.136 218 R CA 1.982 58.087 56.100 0.008 0.000 0.959 218 R CB -0.440 29.827 30.300 -0.056 0.000 0.856 218 R HN 0.738 nan 8.270 nan 0.000 0.437 219 W N 1.224 122.415 121.300 -0.183 0.000 2.333 219 W HA -0.185 4.474 4.660 -0.001 0.000 0.316 219 W C 2.041 178.451 176.519 -0.181 0.000 1.215 219 W CA 2.376 59.632 57.345 -0.149 0.000 1.278 219 W CB -0.667 28.716 29.460 -0.128 0.000 1.154 219 W HN -0.007 nan 8.180 nan 0.000 0.486 220 T N 0.875 115.416 114.554 -0.022 0.000 2.635 220 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 220 T C 1.434 175.731 174.700 -0.672 0.000 1.040 220 T CA 2.054 63.925 62.100 -0.382 0.000 1.156 220 T CB -0.786 67.745 68.868 -0.561 0.000 0.863 220 T HN 0.045 nan 8.240 nan 0.000 0.430 221 F N 0.789 120.605 119.950 -0.224 0.000 2.710 221 F HA 0.279 4.806 4.527 -0.000 0.000 0.298 221 F C 2.337 178.036 175.800 -0.168 0.000 1.137 221 F CA -0.174 57.722 58.000 -0.174 0.000 1.444 221 F CB -0.356 38.549 39.000 -0.157 0.000 1.111 221 F HN -0.021 nan 8.300 nan 0.000 0.580 222 R N 0.358 120.778 120.500 -0.133 0.000 2.075 222 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 222 R C 2.115 178.261 176.300 -0.256 0.000 1.126 222 R CA 1.303 57.298 56.100 -0.174 0.000 0.963 222 R CB -0.086 30.087 30.300 -0.211 0.000 0.858 222 R HN 0.102 nan 8.270 nan 0.000 0.435 223 Q N 0.390 119.922 119.800 -0.447 0.000 2.226 223 Q HA -0.113 4.227 4.340 -0.000 0.000 0.204 223 Q C 1.766 177.630 176.000 -0.226 0.000 0.975 223 Q CA 1.107 56.657 55.803 -0.423 0.000 0.866 223 Q CB 0.004 28.359 28.738 -0.638 0.000 0.915 223 Q HN 0.436 nan 8.270 nan 0.000 0.440 224 L N 0.334 121.452 121.223 -0.174 0.000 2.628 224 L HA 0.078 4.418 4.340 -0.000 0.000 0.229 224 L C 1.637 178.515 176.870 0.013 0.000 1.137 224 L CA -0.053 54.751 54.840 -0.060 0.000 0.909 224 L CB 0.028 42.069 42.059 -0.030 0.000 1.137 224 L HN 0.131 nan 8.230 nan 0.000 0.470 225 E N 0.935 121.133 120.200 -0.004 0.000 2.160 225 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 225 E C 1.384 178.013 176.600 0.048 0.000 0.991 225 E CA 1.632 58.046 56.400 0.023 0.000 0.810 225 E CB 0.041 29.740 29.700 -0.001 0.000 0.742 225 E HN 0.617 nan 8.360 nan 0.000 0.466 226 D N 0.563 120.990 120.400 0.044 0.000 2.348 226 D HA -0.143 4.497 4.640 -0.000 0.000 0.216 226 D C 1.813 178.243 176.300 0.217 0.000 0.970 226 D CA 0.503 54.559 54.000 0.093 0.000 0.889 226 D CB -0.529 40.305 40.800 0.057 0.000 0.912 226 D HN 0.473 nan 8.370 nan 0.000 0.524 227 I N -3.335 117.325 120.570 0.150 0.000 3.684 227 I HA 0.152 4.322 4.170 -0.000 0.000 0.304 227 I C -0.182 175.985 176.117 0.083 0.000 1.278 227 I CA 0.170 61.542 61.300 0.121 0.000 1.272 227 I CB -0.231 37.746 38.000 -0.037 0.000 1.029 227 I HN -0.287 nan 8.210 nan 0.000 0.458 228 D N 2.100 122.579 120.400 0.132 0.000 2.746 228 D HA -0.165 4.474 4.640 -0.000 0.000 0.241 228 D C -0.170 176.160 176.300 0.050 0.000 1.140 228 D CA 0.506 54.580 54.000 0.123 0.000 0.707 228 D CB -1.191 39.762 40.800 0.256 0.000 1.034 228 D HN 0.456 nan 8.370 nan 0.000 0.423 229 L N 0.813 122.049 121.223 0.021 0.000 2.490 229 L HA 0.012 4.352 4.340 -0.000 0.000 0.274 229 L C 1.780 178.657 176.870 0.011 0.000 1.201 229 L CA -0.220 54.613 54.840 -0.011 0.000 0.869 229 L CB 0.296 42.352 42.059 -0.004 0.000 1.123 229 L HN 0.235 nan 8.230 nan 0.000 0.484 230 Y N 4.319 124.530 120.300 -0.148 0.000 2.220 230 Y HA -0.059 4.491 4.550 -0.001 0.000 0.291 230 Y C 0.441 176.330 175.900 -0.018 0.000 1.129 230 Y CA 0.708 58.741 58.100 -0.112 0.000 1.161 230 Y CB 0.397 38.739 38.460 -0.197 0.000 0.997 230 Y HN 0.484 nan 8.280 nan 0.000 0.522 231 F N -0.984 118.992 119.950 0.044 0.000 2.686 231 F HA 0.629 5.155 4.527 -0.000 0.000 0.311 231 F C -1.884 173.833 175.800 -0.138 0.000 1.128 231 F CA -2.707 55.245 58.000 -0.080 0.000 0.946 231 F CB 0.496 39.474 39.000 -0.035 0.000 1.336 231 F HN -0.286 nan 8.300 nan 0.000 0.457 232 I N 1.947 122.641 120.570 0.207 0.000 2.418 232 I HA 0.400 4.570 4.170 -0.000 0.000 0.287 232 I C -0.750 175.364 176.117 -0.005 0.000 1.008 232 I CA -0.528 60.759 61.300 -0.021 0.000 1.104 232 I CB 1.823 39.515 38.000 -0.513 0.000 1.264 232 I HN 0.797 nan 8.210 nan 0.000 0.438 233 E N 5.936 126.177 120.200 0.068 0.000 2.207 233 E HA 0.629 4.978 4.350 -0.000 0.000 0.270 233 E C 0.168 176.728 176.600 -0.068 0.000 0.927 233 E CA -0.572 55.796 56.400 -0.054 0.000 0.799 233 E CB 1.800 31.507 29.700 0.011 0.000 1.172 233 E HN 0.803 nan 8.360 nan 0.000 0.404 234 A N 2.796 125.533 122.820 -0.139 0.000 2.745 234 A HA -0.245 4.075 4.320 -0.000 0.000 0.296 234 A C 1.168 178.618 177.584 -0.224 0.000 1.500 234 A CA 0.839 52.631 52.037 -0.408 0.000 0.766 234 A CB -2.458 16.025 19.000 -0.861 0.000 1.030 234 A HN 0.780 nan 8.150 nan 0.000 0.489 235 C N -1.121 118.210 119.300 0.052 0.000 2.492 235 C HA 0.506 4.965 4.460 -0.000 0.000 0.279 235 C C 1.269 176.434 174.990 0.290 0.000 1.335 235 C CA 1.409 60.558 59.018 0.217 0.000 1.734 235 C CB -0.840 26.935 27.740 0.058 0.000 2.027 235 C HN 0.641 nan 8.230 nan 0.000 0.496 236 L N 0.582 121.905 121.223 0.166 0.000 2.271 236 L HA 0.433 4.772 4.340 -0.000 0.000 0.265 236 L C -0.471 176.689 176.870 0.482 0.000 1.013 236 L CA -0.864 54.082 54.840 0.177 0.000 0.820 236 L CB 0.635 42.528 42.059 -0.277 0.000 1.352 236 L HN 0.071 nan 8.230 nan 0.000 0.443 237 Q N 0.480 120.535 119.800 0.424 0.000 2.361 237 Q HA -0.042 4.298 4.340 -0.000 0.000 0.276 237 Q C 0.792 177.107 176.000 0.525 0.000 1.022 237 Q CA 0.351 56.419 55.803 0.442 0.000 0.898 237 Q CB 0.434 29.329 28.738 0.261 0.000 1.246 237 Q HN 0.506 nan 8.270 nan 0.000 0.410 238 H N 2.428 121.707 119.070 0.348 0.000 2.387 238 H HA -0.132 4.424 4.556 -0.000 0.000 0.299 238 H C 0.243 175.718 175.328 0.246 0.000 1.090 238 H CA 1.497 57.779 56.048 0.390 0.000 1.332 238 H CB 0.682 30.553 29.762 0.182 0.000 1.386 238 H HN 0.557 nan 8.280 nan 0.000 0.516 239 D N 0.460 121.006 120.400 0.243 0.000 2.348 239 D HA -0.104 4.535 4.640 -0.000 0.000 0.216 239 D C 0.378 176.660 176.300 -0.030 0.000 0.970 239 D CA 0.590 54.637 54.000 0.078 0.000 0.889 239 D CB -0.332 40.512 40.800 0.073 0.000 0.912 239 D HN 0.329 nan 8.370 nan 0.000 0.524 240 D N 0.788 121.223 120.400 0.058 0.000 2.517 240 D HA 0.013 4.653 4.640 -0.000 0.000 0.220 240 D C 1.147 177.451 176.300 0.007 0.000 1.158 240 D CA -0.315 53.717 54.000 0.052 0.000 0.992 240 D CB 0.173 41.055 40.800 0.136 0.000 1.058 240 D HN -0.217 nan 8.370 nan 0.000 0.516 241 L N 3.026 124.110 121.223 -0.231 0.000 2.093 241 L HA -0.046 4.293 4.340 -0.000 0.000 0.208 241 L C 2.114 178.881 176.870 -0.171 0.000 1.085 241 L CA 1.142 55.762 54.840 -0.366 0.000 0.755 241 L CB -0.570 41.200 42.059 -0.482 0.000 0.904 241 L HN 0.555 nan 8.230 nan 0.000 0.435 242 I N -0.998 119.494 120.570 -0.130 0.000 2.315 242 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 242 I C 2.448 178.451 176.117 -0.190 0.000 1.117 242 I CA 1.187 62.402 61.300 -0.141 0.000 1.404 242 I CB -0.783 37.152 38.000 -0.109 0.000 1.071 242 I HN 0.325 nan 8.210 nan 0.000 0.419 243 G N -0.030 108.706 108.800 -0.107 0.000 2.418 243 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 243 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 243 G C 1.341 176.131 174.900 -0.183 0.000 1.158 243 G CA 0.805 45.822 45.100 -0.137 0.000 0.771 243 G HN 0.377 nan 8.290 nan 0.000 0.545 244 H N 0.346 119.352 119.070 -0.107 0.000 2.353 244 H HA -0.087 4.469 4.556 -0.000 0.000 0.300 244 H C 2.700 177.945 175.328 -0.138 0.000 1.090 244 H CA 1.898 57.908 56.048 -0.062 0.000 1.327 244 H CB -0.038 29.727 29.762 0.005 0.000 1.383 244 H HN 0.554 nan 8.280 nan 0.000 0.508 245 Q N 1.448 121.198 119.800 -0.082 0.000 2.119 245 Q HA -0.109 4.231 4.340 -0.000 0.000 0.201 245 Q C 1.606 177.453 176.000 -0.255 0.000 0.972 245 Q CA 1.661 57.381 55.803 -0.138 0.000 0.847 245 Q CB -0.029 28.625 28.738 -0.139 0.000 0.903 245 Q HN 0.297 nan 8.270 nan 0.000 0.433 246 K N -0.211 119.897 120.400 -0.487 0.000 2.103 246 K HA -0.030 4.289 4.320 -0.000 0.000 0.204 246 K C 1.972 178.188 176.600 -0.641 0.000 1.052 246 K CA 1.075 56.859 56.287 -0.839 0.000 0.945 246 K CB -0.212 31.216 32.500 -1.786 0.000 0.722 246 K HN 0.192 nan 8.250 nan 0.000 0.443 247 L N 1.216 122.217 121.223 -0.371 0.000 2.027 247 L HA -0.088 4.252 4.340 -0.000 0.000 0.206 247 L C 2.225 179.091 176.870 -0.008 0.000 1.074 247 L CA 1.766 56.621 54.840 0.024 0.000 0.745 247 L CB -0.685 41.418 42.059 0.073 0.000 0.898 247 L HN 0.120 nan 8.230 nan 0.000 0.433 248 A N -0.431 122.361 122.820 -0.046 0.000 1.940 248 A HA -0.148 4.171 4.320 -0.000 0.000 0.219 248 A C 2.416 179.979 177.584 -0.034 0.000 1.176 248 A CA 1.893 53.911 52.037 -0.031 0.000 0.631 248 A CB -1.185 17.805 19.000 -0.016 0.000 0.814 248 A HN 0.588 nan 8.150 nan 0.000 0.446 249 A N -0.621 122.164 122.820 -0.059 0.000 2.015 249 A HA 0.274 4.594 4.320 -0.000 0.000 0.219 249 A C 2.352 179.935 177.584 -0.001 0.000 1.163 249 A CA 1.752 53.763 52.037 -0.043 0.000 0.646 249 A CB -0.651 18.305 19.000 -0.073 0.000 0.806 249 A HN 0.986 nan 8.150 nan 0.000 0.448 250 A N -0.008 122.835 122.820 0.037 0.000 2.021 250 A HA 0.326 4.646 4.320 -0.000 0.000 0.216 250 A C 1.291 178.920 177.584 0.075 0.000 1.163 250 A CA 0.649 52.751 52.037 0.109 0.000 0.676 250 A CB -0.551 18.618 19.000 0.282 0.000 0.818 250 A HN 0.746 nan 8.150 nan 0.000 0.453 251 I N -2.934 117.666 120.570 0.050 0.000 3.110 251 I HA 0.347 4.517 4.170 -0.000 0.000 0.314 251 I C 0.559 176.678 176.117 0.004 0.000 1.020 251 I CA -0.436 60.880 61.300 0.028 0.000 1.169 251 I CB 0.635 38.636 38.000 0.002 0.000 1.437 251 I HN 0.187 nan 8.210 nan 0.000 0.595 252 N N 0.052 118.750 118.700 -0.003 0.000 2.200 252 N HA 0.126 4.865 4.740 -0.000 0.000 0.224 252 N C -0.148 175.343 175.510 -0.031 0.000 1.179 252 N CA -0.202 52.840 53.050 -0.013 0.000 0.877 252 N CB 0.124 38.608 38.487 -0.006 0.000 1.072 252 N HN 0.864 nan 8.380 nan 0.000 0.519 253 T N -1.828 112.699 114.554 -0.045 0.000 2.633 253 T HA 0.493 4.843 4.350 -0.000 0.000 0.262 253 T C -0.162 174.487 174.700 -0.085 0.000 0.920 253 T CA -0.932 61.123 62.100 -0.075 0.000 1.062 253 T CB 1.084 69.904 68.868 -0.079 0.000 1.390 253 T HN -0.078 nan 8.240 nan 0.000 0.549 254 R N 0.301 120.739 120.500 -0.103 0.000 2.347 254 R HA 0.508 4.848 4.340 -0.000 0.000 0.304 254 R C -0.972 175.289 176.300 -0.064 0.000 1.072 254 R CA -0.589 55.462 56.100 -0.081 0.000 0.980 254 R CB 0.129 30.383 30.300 -0.077 0.000 0.986 254 R HN 0.311 nan 8.270 nan 0.000 0.448 255 L N 3.553 124.727 121.223 -0.080 0.000 2.309 255 L HA 0.355 4.694 4.340 -0.000 0.000 0.282 255 L C -0.707 176.084 176.870 -0.131 0.000 1.036 255 L CA -0.217 54.571 54.840 -0.086 0.000 0.806 255 L CB 1.294 43.335 42.059 -0.030 0.000 1.220 255 L HN 0.724 nan 8.230 nan 0.000 0.429 256 C N 2.544 121.719 119.300 -0.208 0.000 2.349 256 C HA 1.020 5.480 4.460 -0.000 0.000 0.361 256 C C 0.644 175.473 174.990 -0.268 0.000 1.189 256 C CA -0.220 58.596 59.018 -0.337 0.000 2.155 256 C CB 0.751 28.136 27.740 -0.591 0.000 2.336 256 C HN 1.012 nan 8.230 nan 0.000 0.540 257 G N -1.279 107.230 108.800 -0.484 0.000 2.550 257 G HA2 0.654 4.614 3.960 -0.000 0.000 0.293 257 G HA3 0.654 4.614 3.960 -0.000 0.000 0.293 257 G C -0.180 173.959 174.900 -1.268 0.000 1.402 257 G CA 0.109 44.621 45.100 -0.980 0.000 0.784 257 G HN 2.046 nan 8.290 nan 0.000 0.482 258 A N -1.093 120.537 122.820 -1.984 0.000 2.952 258 A HA -0.184 4.135 4.320 -0.000 0.000 0.252 258 A C 1.442 178.848 177.584 -0.296 0.000 1.323 258 A CA 2.062 53.358 52.037 -1.234 0.000 0.957 258 A CB -2.099 16.178 19.000 -1.205 0.000 1.130 258 A HN 1.347 nan 8.150 nan 0.000 0.799 259 E N -0.550 119.577 120.200 -0.121 0.000 2.118 259 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 259 E C 1.673 178.217 176.600 -0.093 0.000 0.992 259 E CA 1.632 57.992 56.400 -0.067 0.000 0.804 259 E CB -0.144 29.544 29.700 -0.020 0.000 0.741 259 E HN 0.848 nan 8.360 nan 0.000 0.458 260 M N 0.934 120.496 119.600 -0.063 0.000 2.428 260 M HA 0.072 4.552 4.480 -0.000 0.000 0.239 260 M C 0.706 176.902 176.300 -0.174 0.000 1.121 260 M CA -0.166 54.936 55.300 -0.330 0.000 1.019 260 M CB 0.682 32.862 32.600 -0.701 0.000 1.485 260 M HN -0.005 nan 8.290 nan 0.000 0.484 261 S N 0.782 116.507 115.700 0.041 0.000 2.632 261 S HA 0.469 4.939 4.470 -0.000 0.000 0.267 261 S C 0.206 174.876 174.600 0.117 0.000 1.276 261 S CA -0.496 57.808 58.200 0.174 0.000 0.998 261 S CB 1.175 64.549 63.200 0.290 0.000 0.953 261 S HN 0.327 nan 8.310 nan 0.000 0.547 262 T N -1.530 113.122 114.554 0.162 0.000 2.893 262 T HA 0.716 5.065 4.350 -0.000 0.000 0.291 262 T C -0.088 174.717 174.700 0.176 0.000 1.028 262 T CA 0.100 62.301 62.100 0.169 0.000 0.995 262 T CB 0.715 69.707 68.868 0.206 0.000 1.051 262 T HN 2.382 nan 8.240 nan 0.000 0.470 263 T N 0.001 114.643 114.554 0.147 0.000 0.541 263 T HA -0.198 4.151 4.350 -0.000 0.000 0.774 263 T C 0.873 175.530 174.700 -0.073 0.000 0.992 263 T CA 0.575 62.719 62.100 0.074 0.000 4.077 263 T CB -0.927 68.089 68.868 0.245 0.000 2.303 263 T HN 1.399 nan 8.240 nan 0.000 0.398 264 R N 0.930 121.241 120.500 -0.314 0.000 2.189 264 R HA 0.047 4.387 4.340 -0.000 0.000 0.223 264 R C 1.816 177.956 176.300 -0.267 0.000 1.092 264 R CA 1.899 57.796 56.100 -0.337 0.000 0.989 264 R CB -0.559 29.465 30.300 -0.460 0.000 0.876 264 R HN 0.630 nan 8.270 nan 0.000 0.457 265 F N 2.002 121.986 119.950 0.056 0.000 2.146 265 F HA 0.002 4.529 4.527 -0.000 0.000 0.298 265 F C 2.269 178.120 175.800 0.084 0.000 1.096 265 F CA 1.115 59.152 58.000 0.063 0.000 1.275 265 F CB -0.428 38.612 39.000 0.068 0.000 1.008 265 F HN 0.038 nan 8.300 nan 0.000 0.480 266 E N 0.283 120.644 120.200 0.269 0.000 2.072 266 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 266 E C 2.463 179.244 176.600 0.301 0.000 0.982 266 E CA 0.853 57.418 56.400 0.275 0.000 0.803 266 E CB -0.334 29.547 29.700 0.302 0.000 0.755 266 E HN 0.341 nan 8.360 nan 0.000 0.453 267 A N 1.438 124.350 122.820 0.152 0.000 1.877 267 A HA -0.297 4.023 4.320 -0.000 0.000 0.216 267 A C 2.137 179.767 177.584 0.077 0.000 1.186 267 A CA 1.822 53.899 52.037 0.066 0.000 0.620 267 A CB -0.610 18.363 19.000 -0.044 0.000 0.822 267 A HN 0.214 nan 8.150 nan 0.000 0.443 268 Q N -0.584 119.248 119.800 0.053 0.000 2.084 268 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 268 Q C 2.074 178.102 176.000 0.046 0.000 0.978 268 Q CA 1.895 57.720 55.803 0.037 0.000 0.844 268 Q CB -0.178 28.604 28.738 0.072 0.000 0.898 268 Q HN 0.797 nan 8.270 nan 0.000 0.426 269 E N -0.695 119.563 120.200 0.095 0.000 2.077 269 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 269 E C 1.467 178.060 176.600 -0.012 0.000 0.989 269 E CA 1.311 57.733 56.400 0.035 0.000 0.800 269 E CB -0.192 29.516 29.700 0.015 0.000 0.746 269 E HN 0.480 nan 8.360 nan 0.000 0.452 270 W N 0.357 121.592 121.300 -0.109 0.000 2.335 270 W HA -0.208 4.452 4.660 -0.001 0.000 0.311 270 W C 2.157 178.568 176.519 -0.180 0.000 1.213 270 W CA 0.535 57.784 57.345 -0.159 0.000 1.274 270 W CB -0.526 28.823 29.460 -0.185 0.000 1.148 270 W HN 0.193 nan 8.180 nan 0.000 0.498 271 L N -0.014 121.221 121.223 0.020 0.000 1.989 271 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 271 L C 2.183 178.919 176.870 -0.223 0.000 1.071 271 L CA 1.954 56.660 54.840 -0.224 0.000 0.749 271 L CB -1.647 40.059 42.059 -0.588 0.000 0.890 271 L HN -0.046 nan 8.230 nan 0.000 0.431 272 E N -0.626 119.482 120.200 -0.154 0.000 2.051 272 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 272 E C 2.265 178.855 176.600 -0.016 0.000 0.991 272 E CA 1.425 57.822 56.400 -0.005 0.000 0.799 272 E CB 0.007 29.733 29.700 0.042 0.000 0.748 272 E HN 0.274 nan 8.360 nan 0.000 0.449 273 K N -1.256 119.108 120.400 -0.059 0.000 2.284 273 K HA 0.005 4.325 4.320 -0.000 0.000 0.198 273 K C 1.740 178.284 176.600 -0.094 0.000 1.048 273 K CA 1.331 57.567 56.287 -0.085 0.000 0.987 273 K CB 0.369 32.788 32.500 -0.134 0.000 0.800 273 K HN 0.238 nan 8.250 nan 0.000 0.486 274 T N -4.050 110.457 114.554 -0.079 0.000 2.990 274 T HA 0.141 4.490 4.350 -0.000 0.000 0.249 274 T C 1.226 175.918 174.700 -0.014 0.000 1.039 274 T CA 0.554 62.626 62.100 -0.048 0.000 1.036 274 T CB 0.485 69.351 68.868 -0.005 0.000 0.994 274 T HN 0.203 nan 8.240 nan 0.000 0.489 275 G N 3.169 111.962 108.800 -0.012 0.000 2.283 275 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 275 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 275 G C 0.191 175.089 174.900 -0.003 0.000 1.029 275 G CA 0.327 45.423 45.100 -0.007 0.000 0.840 275 G HN 1.161 nan 8.290 nan 0.000 0.505 276 I N -2.547 118.036 120.570 0.020 0.000 2.872 276 I HA 0.429 4.599 4.170 -0.000 0.000 0.291 276 I C 1.128 177.218 176.117 -0.044 0.000 1.216 276 I CA 0.491 61.792 61.300 0.001 0.000 1.424 276 I CB 0.718 38.725 38.000 0.013 0.000 1.351 276 I HN -0.061 nan 8.210 nan 0.000 0.592 277 S N 3.208 118.867 115.700 -0.068 0.000 2.523 277 S HA 0.275 4.745 4.470 -0.000 0.000 0.217 277 S C 0.195 174.748 174.600 -0.079 0.000 0.996 277 S CA -0.246 57.916 58.200 -0.064 0.000 0.921 277 S CB 0.387 63.549 63.200 -0.064 0.000 0.829 277 S HN 0.508 nan 8.310 nan 0.000 0.495 278 V N 2.312 122.144 119.914 -0.138 0.000 2.525 278 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 278 V C -0.509 175.448 176.094 -0.228 0.000 1.034 278 V CA -0.756 61.442 62.300 -0.170 0.000 0.863 278 V CB 1.794 33.449 31.823 -0.280 0.000 0.999 278 V HN -0.009 nan 8.190 nan 0.000 0.423 279 V N 4.974 124.780 119.914 -0.182 0.000 2.509 279 V HA 0.341 4.461 4.120 -0.000 0.000 0.284 279 V C 0.521 176.486 176.094 -0.215 0.000 1.047 279 V CA -0.171 61.987 62.300 -0.236 0.000 0.952 279 V CB 1.539 33.250 31.823 -0.186 0.000 0.988 279 V HN 0.987 nan 8.190 nan 0.000 0.469 280 Q N 1.296 120.936 119.800 -0.267 0.000 2.135 280 Q HA 0.209 4.549 4.340 -0.000 0.000 0.222 280 Q C 0.283 176.189 176.000 -0.155 0.000 0.808 280 Q CA -0.245 55.452 55.803 -0.177 0.000 1.049 280 Q CB 0.977 29.622 28.738 -0.155 0.000 1.168 280 Q HN 0.796 nan 8.270 nan 0.000 0.483 281 S N 2.246 117.826 115.700 -0.200 0.000 2.715 281 S HA -0.098 4.371 4.470 -0.000 0.000 0.318 281 S C -0.030 174.441 174.600 -0.216 0.000 1.242 281 S CA 0.495 58.588 58.200 -0.178 0.000 1.044 281 S CB 0.325 63.417 63.200 -0.180 0.000 0.760 281 S HN 0.239 nan 8.310 nan 0.000 0.501 282 D N 0.670 120.986 120.400 -0.141 0.000 2.255 282 D HA 0.161 4.801 4.640 -0.000 0.000 0.249 282 D C 0.649 176.851 176.300 -0.163 0.000 1.078 282 D CA -0.499 53.437 54.000 -0.106 0.000 0.896 282 D CB 0.507 41.321 40.800 0.022 0.000 1.194 282 D HN 0.531 nan 8.370 nan 0.000 0.429 283 Y N 2.108 122.354 120.300 -0.089 0.000 2.207 283 Y HA -0.239 4.311 4.550 -0.001 0.000 0.287 283 Y C 1.680 177.541 175.900 -0.066 0.000 1.156 283 Y CA 1.582 59.608 58.100 -0.124 0.000 1.182 283 Y CB -0.234 38.146 38.460 -0.133 0.000 0.979 283 Y HN 0.466 nan 8.280 nan 0.000 0.521 284 N N -1.180 117.579 118.700 0.097 0.000 2.275 284 N HA 0.199 4.939 4.740 -0.000 0.000 0.236 284 N C 0.673 176.166 175.510 -0.029 0.000 1.154 284 N CA -0.128 52.948 53.050 0.042 0.000 0.866 284 N CB 0.320 38.816 38.487 0.013 0.000 1.093 284 N HN 0.168 nan 8.380 nan 0.000 0.515 285 R N -0.786 119.709 120.500 -0.007 0.000 2.756 285 R HA 0.155 4.495 4.340 -0.000 0.000 0.170 285 R C 1.216 177.646 176.300 0.216 0.000 0.800 285 R CA 0.798 56.902 56.100 0.008 0.000 1.052 285 R CB -0.362 29.833 30.300 -0.176 0.000 1.437 285 R HN 0.379 nan 8.270 nan 0.000 0.607 286 C N -0.480 118.881 119.300 0.103 0.000 2.562 286 C HA 0.461 4.921 4.460 -0.000 0.000 0.266 286 C C 1.484 176.573 174.990 0.164 0.000 1.382 286 C CA 0.433 59.514 59.018 0.105 0.000 1.742 286 C CB -0.181 27.554 27.740 -0.009 0.000 1.812 286 C HN 0.723 nan 8.230 nan 0.000 0.559 287 G N -0.791 108.137 108.800 0.214 0.000 2.551 287 G HA2 0.436 4.396 3.960 -0.000 0.000 0.186 287 G HA3 0.436 4.396 3.960 -0.000 0.000 0.186 287 G C 0.762 175.862 174.900 0.333 0.000 1.002 287 G CA 0.487 45.803 45.100 0.360 0.000 0.723 287 G HN 2.222 nan 8.290 nan 0.000 0.481 288 G N -1.404 107.487 108.800 0.151 0.000 2.582 288 G HA2 0.113 4.072 3.960 -0.000 0.000 0.222 288 G HA3 0.113 4.072 3.960 -0.000 0.000 0.222 288 G C 0.846 175.734 174.900 -0.020 0.000 1.311 288 G CA 0.298 45.462 45.100 0.108 0.000 0.915 288 G HN 1.176 nan 8.290 nan 0.000 0.528 289 V N 0.645 120.532 119.914 -0.044 0.000 2.343 289 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 289 V C 3.181 179.173 176.094 -0.170 0.000 1.051 289 V CA 3.260 65.416 62.300 -0.239 0.000 1.036 289 V CB -1.160 30.349 31.823 -0.522 0.000 0.654 289 V HN 0.960 nan 8.190 nan 0.000 0.451 290 T N -0.409 114.156 114.554 0.017 0.000 2.759 290 T HA -0.257 4.093 4.350 -0.000 0.000 0.269 290 T C 1.904 176.458 174.700 -0.243 0.000 1.042 290 T CA 1.961 64.054 62.100 -0.012 0.000 1.140 290 T CB -0.176 68.748 68.868 0.093 0.000 0.864 290 T HN 0.537 nan 8.240 nan 0.000 0.455 291 E N 0.751 120.758 120.200 -0.323 0.000 2.076 291 E HA 0.061 4.410 4.350 -0.000 0.000 0.190 291 E C 2.056 178.519 176.600 -0.228 0.000 0.979 291 E CA 0.596 56.786 56.400 -0.349 0.000 0.807 291 E CB -0.432 29.124 29.700 -0.240 0.000 0.761 291 E HN 0.415 nan 8.360 nan 0.000 0.454 292 L N 0.192 121.273 121.223 -0.236 0.000 2.079 292 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 292 L C 2.389 179.207 176.870 -0.085 0.000 1.081 292 L CA 0.948 55.613 54.840 -0.290 0.000 0.752 292 L CB -0.399 41.253 42.059 -0.678 0.000 0.896 292 L HN 0.256 nan 8.230 nan 0.000 0.433 293 L N -0.817 120.404 121.223 -0.004 0.000 2.131 293 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 293 L C 2.760 179.649 176.870 0.033 0.000 1.092 293 L CA 1.180 56.095 54.840 0.125 0.000 0.759 293 L CB -0.372 41.744 42.059 0.096 0.000 0.903 293 L HN 0.213 nan 8.230 nan 0.000 0.435 294 R N -0.156 120.311 120.500 -0.056 0.000 2.090 294 R HA -0.044 4.296 4.340 -0.000 0.000 0.228 294 R C 2.273 178.534 176.300 -0.066 0.000 1.110 294 R CA 1.062 57.114 56.100 -0.080 0.000 0.973 294 R CB -0.181 30.019 30.300 -0.166 0.000 0.869 294 R HN 0.285 nan 8.270 nan 0.000 0.440 295 I N 0.694 121.214 120.570 -0.082 0.000 2.286 295 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 295 I C 2.629 178.743 176.117 -0.005 0.000 1.115 295 I CA 1.152 62.415 61.300 -0.062 0.000 1.392 295 I CB -0.188 37.752 38.000 -0.099 0.000 1.065 295 I HN 0.260 nan 8.210 nan 0.000 0.418 296 M N 0.826 120.449 119.600 0.038 0.000 2.080 296 M HA -0.272 4.208 4.480 -0.000 0.000 0.260 296 M C 1.699 178.014 176.300 0.026 0.000 1.068 296 M CA 2.061 57.395 55.300 0.056 0.000 1.109 296 M CB -0.234 32.435 32.600 0.115 0.000 1.342 296 M HN 0.158 nan 8.290 nan 0.000 0.405 297 D N 0.584 121.005 120.400 0.035 0.000 2.117 297 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 297 D C 1.934 178.280 176.300 0.077 0.000 0.987 297 D CA 1.575 55.604 54.000 0.047 0.000 0.829 297 D CB -0.449 40.374 40.800 0.039 0.000 0.961 297 D HN 0.488 nan 8.370 nan 0.000 0.460 298 I N 0.487 121.103 120.570 0.077 0.000 2.226 298 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 298 I C 2.496 178.753 176.117 0.233 0.000 1.100 298 I CA 0.623 62.016 61.300 0.156 0.000 1.374 298 I CB -0.235 37.828 38.000 0.105 0.000 1.057 298 I HN 0.056 nan 8.210 nan 0.000 0.413 299 C N 0.459 119.830 119.300 0.118 0.000 2.413 299 C HA -0.186 4.274 4.460 -0.000 0.000 0.276 299 C C 2.804 177.848 174.990 0.091 0.000 1.248 299 C CA 1.131 60.204 59.018 0.090 0.000 1.742 299 C CB -0.991 26.760 27.740 0.018 0.000 2.017 299 C HN 0.527 nan 8.230 nan 0.000 0.481 300 E N -0.127 120.109 120.200 0.059 0.000 2.085 300 E HA -0.304 4.046 4.350 -0.000 0.000 0.194 300 E C 1.930 178.562 176.600 0.054 0.000 0.994 300 E CA 1.693 58.114 56.400 0.034 0.000 0.801 300 E CB -0.249 29.469 29.700 0.031 0.000 0.743 300 E HN 0.815 nan 8.360 nan 0.000 0.453 301 H N -0.470 118.609 119.070 0.016 0.000 2.352 301 H HA -0.120 4.435 4.556 -0.000 0.000 0.299 301 H C 1.342 176.591 175.328 -0.132 0.000 1.097 301 H CA 2.368 58.377 56.048 -0.066 0.000 1.311 301 H CB -0.235 29.465 29.762 -0.104 0.000 1.377 301 H HN 0.280 nan 8.280 nan 0.000 0.504 302 H N -0.708 118.268 119.070 -0.157 0.000 2.547 302 H HA 0.083 4.638 4.556 -0.000 0.000 0.266 302 H C 0.772 176.028 175.328 -0.121 0.000 0.988 302 H CA 0.593 56.539 56.048 -0.169 0.000 1.147 302 H CB -0.069 29.664 29.762 -0.049 0.000 1.365 302 H HN 0.418 nan 8.280 nan 0.000 0.589 303 N N -0.387 118.302 118.700 -0.017 0.000 2.725 303 N HA -0.215 4.525 4.740 -0.000 0.000 0.249 303 N C -0.748 174.762 175.510 -0.000 0.000 1.103 303 N CA 0.556 53.594 53.050 -0.019 0.000 0.707 303 N CB -0.992 37.469 38.487 -0.043 0.000 1.043 303 N HN 0.494 nan 8.380 nan 0.000 0.553 304 A N -0.170 122.663 122.820 0.022 0.000 2.282 304 A HA 0.610 4.929 4.320 -0.000 0.000 0.319 304 A C 0.209 177.787 177.584 -0.010 0.000 1.121 304 A CA -0.433 51.603 52.037 -0.000 0.000 0.836 304 A CB 0.715 19.710 19.000 -0.007 0.000 1.146 304 A HN 0.407 nan 8.150 nan 0.000 0.494 305 Q N -0.404 119.391 119.800 -0.009 0.000 2.227 305 Q HA 0.496 4.836 4.340 -0.000 0.000 0.245 305 Q C -1.323 174.678 176.000 0.002 0.000 0.926 305 Q CA -0.713 55.095 55.803 0.009 0.000 0.895 305 Q CB 1.849 30.626 28.738 0.065 0.000 1.230 305 Q HN 0.539 nan 8.270 nan 0.000 0.450 306 L N 2.527 123.764 121.223 0.023 0.000 2.298 306 L HA 0.427 4.767 4.340 -0.000 0.000 0.284 306 L C -1.247 175.679 176.870 0.093 0.000 1.013 306 L CA 0.127 54.987 54.840 0.034 0.000 0.824 306 L CB 1.024 43.123 42.059 0.066 0.000 1.221 306 L HN 0.651 nan 8.230 nan 0.000 0.418 307 M N 7.457 127.097 119.600 0.067 0.000 1.986 307 M HA 0.376 4.856 4.480 -0.000 0.000 0.247 307 M C -2.451 173.878 176.300 0.049 0.000 0.851 307 M CA -1.475 53.912 55.300 0.146 0.000 0.785 307 M CB 1.346 34.130 32.600 0.307 0.000 1.554 307 M HN 0.347 nan 8.290 nan 0.000 0.361 308 P HA -0.020 nan 4.420 nan 0.000 0.267 308 P C -0.547 176.683 177.300 -0.118 0.000 1.205 308 P CA 0.133 63.048 63.100 -0.309 0.000 0.765 308 P CB 0.209 31.299 31.700 -1.015 0.000 0.828 309 H N 3.347 122.344 119.070 -0.121 0.000 3.192 309 H HA -0.005 4.550 4.556 -0.000 0.000 0.295 309 H C 0.040 175.427 175.328 0.099 0.000 0.943 309 H CA 0.946 56.998 56.048 0.006 0.000 1.416 309 H CB -0.179 29.571 29.762 -0.019 0.000 1.434 309 H HN 0.173 nan 8.280 nan 0.000 0.565 310 N N 6.006 124.510 118.700 -0.327 0.000 2.762 310 N HA 0.087 4.827 4.740 -0.000 0.000 0.252 310 N C -1.903 173.480 175.510 -0.210 0.000 1.269 310 N CA -0.585 52.375 53.050 -0.151 0.000 0.799 310 N CB 0.145 38.620 38.487 -0.020 0.000 1.173 310 N HN 0.699 nan 8.380 nan 0.000 0.516 311 W N 5.979 126.999 121.300 -0.466 0.000 1.949 311 W HA 0.356 5.016 4.660 -0.001 0.000 0.299 311 W C -0.854 175.555 176.519 -0.184 0.000 0.959 311 W CA -0.339 56.809 57.345 -0.329 0.000 1.665 311 W CB 0.477 29.735 29.460 -0.336 0.000 1.829 311 W HN 0.305 nan 8.180 nan 0.000 0.375 312 K N 0.286 120.540 120.400 -0.244 0.000 4.110 312 K HA 0.422 4.742 4.320 -0.000 0.000 0.278 312 K C -0.015 176.440 176.600 -0.242 0.000 1.347 312 K CA 0.166 56.351 56.287 -0.169 0.000 1.625 312 K CB 0.943 33.396 32.500 -0.078 0.000 2.825 312 K HN -0.108 nan 8.250 nan 0.000 0.700 313 T N -1.118 113.320 114.554 -0.195 0.000 2.888 313 T HA 0.334 4.684 4.350 -0.000 0.000 0.288 313 T C 0.826 175.405 174.700 -0.202 0.000 1.063 313 T CA -0.115 61.881 62.100 -0.174 0.000 1.010 313 T CB 1.555 70.362 68.868 -0.102 0.000 1.214 313 T HN 0.487 nan 8.240 nan 0.000 0.533 314 G N 0.255 108.950 108.800 -0.175 0.000 2.501 314 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.220 314 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.220 314 G C 1.326 176.149 174.900 -0.127 0.000 1.114 314 G CA 0.687 45.691 45.100 -0.160 0.000 0.757 314 G HN 0.672 nan 8.290 nan 0.000 0.559 315 I N 0.528 121.032 120.570 -0.110 0.000 2.193 315 I HA -0.131 4.038 4.170 -0.000 0.000 0.240 315 I C 2.945 178.991 176.117 -0.119 0.000 1.084 315 I CA 1.425 62.678 61.300 -0.079 0.000 1.365 315 I CB -0.568 37.403 38.000 -0.049 0.000 1.064 315 I HN 0.031 nan 8.210 nan 0.000 0.410 316 T N 0.920 115.376 114.554 -0.163 0.000 2.803 316 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 316 T C 2.025 176.494 174.700 -0.385 0.000 1.052 316 T CA 1.354 63.300 62.100 -0.258 0.000 1.136 316 T CB -0.337 68.403 68.868 -0.213 0.000 0.864 316 T HN 0.473 nan 8.240 nan 0.000 0.467 317 A N 1.479 124.097 122.820 -0.336 0.000 1.908 317 A HA 0.080 4.400 4.320 -0.000 0.000 0.218 317 A C 2.651 180.128 177.584 -0.178 0.000 1.181 317 A CA 1.886 53.690 52.037 -0.387 0.000 0.627 317 A CB -1.082 17.687 19.000 -0.385 0.000 0.818 317 A HN 0.523 nan 8.150 nan 0.000 0.445 318 A N -0.279 122.488 122.820 -0.087 0.000 1.930 318 A HA 0.192 4.512 4.320 -0.000 0.000 0.217 318 A C 2.487 180.116 177.584 0.075 0.000 1.175 318 A CA 1.960 54.028 52.037 0.053 0.000 0.627 318 A CB -0.949 18.094 19.000 0.071 0.000 0.815 318 A HN 1.043 nan 8.150 nan 0.000 0.443 319 A N 0.049 122.805 122.820 -0.107 0.000 1.877 319 A HA 0.121 4.440 4.320 -0.000 0.000 0.216 319 A C 2.515 179.966 177.584 -0.220 0.000 1.186 319 A CA 2.185 54.120 52.037 -0.170 0.000 0.620 319 A CB -1.082 17.721 19.000 -0.329 0.000 0.822 319 A HN 1.093 nan 8.150 nan 0.000 0.443 320 A N -0.420 122.096 122.820 -0.507 0.000 1.972 320 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 320 A C 2.246 179.877 177.584 0.078 0.000 1.169 320 A CA 1.505 53.369 52.037 -0.289 0.000 0.635 320 A CB -0.450 18.354 19.000 -0.327 0.000 0.810 320 A HN 0.569 nan 8.150 nan 0.000 0.446 321 R N -1.273 119.274 120.500 0.077 0.000 2.070 321 R HA -0.097 4.243 4.340 -0.000 0.000 0.233 321 R C 2.185 178.457 176.300 -0.047 0.000 1.137 321 R CA 1.501 57.627 56.100 0.044 0.000 0.945 321 R CB -0.574 29.738 30.300 0.021 0.000 0.845 321 R HN 0.671 nan 8.270 nan 0.000 0.430 322 H N -0.696 118.432 119.070 0.097 0.000 2.326 322 H HA -0.133 4.423 4.556 -0.000 0.000 0.301 322 H C 2.017 177.424 175.328 0.132 0.000 1.081 322 H CA 1.497 57.629 56.048 0.141 0.000 1.334 322 H CB -0.283 29.567 29.762 0.147 0.000 1.385 322 H HN 0.136 nan 8.280 nan 0.000 0.504 323 F N 1.532 121.550 119.950 0.114 0.000 2.134 323 F HA -0.074 4.453 4.527 -0.000 0.000 0.299 323 F C 2.550 178.395 175.800 0.075 0.000 1.097 323 F CA 1.286 59.343 58.000 0.095 0.000 1.264 323 F CB -0.557 38.557 39.000 0.189 0.000 1.001 323 F HN 0.073 nan 8.300 nan 0.000 0.479 324 G N 0.276 109.132 108.800 0.093 0.000 2.440 324 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 324 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 324 G C 1.616 176.437 174.900 -0.132 0.000 1.154 324 G CA 1.078 46.171 45.100 -0.012 0.000 0.767 324 G HN 0.414 nan 8.290 nan 0.000 0.552 325 I N 0.344 120.828 120.570 -0.143 0.000 2.830 325 I HA 0.023 4.193 4.170 -0.000 0.000 0.263 325 I C 2.369 178.374 176.117 -0.186 0.000 1.230 325 I CA 0.520 61.702 61.300 -0.197 0.000 1.480 325 I CB 0.346 38.153 38.000 -0.323 0.000 1.095 325 I HN 0.035 nan 8.210 nan 0.000 0.455 326 V N -0.960 118.834 119.914 -0.199 0.000 2.878 326 V HA -0.055 4.065 4.120 -0.000 0.000 0.250 326 V C 1.225 177.188 176.094 -0.217 0.000 1.075 326 V CA 0.589 62.784 62.300 -0.175 0.000 1.096 326 V CB -0.090 31.627 31.823 -0.178 0.000 0.724 326 V HN 0.499 nan 8.190 nan 0.000 0.467 327 C N 2.962 122.028 119.300 -0.390 0.000 2.400 327 C HA 0.199 4.658 4.460 -0.000 0.000 0.457 327 C C 2.169 177.022 174.990 -0.229 0.000 1.020 327 C CA -0.583 58.175 59.018 -0.434 0.000 1.258 327 C CB -1.956 25.389 27.740 -0.657 0.000 1.532 327 C HN 0.716 nan 8.230 nan 0.000 0.537 328 H N 3.107 122.088 119.070 -0.149 0.000 2.491 328 H HA -0.100 4.456 4.556 -0.000 0.000 0.290 328 H C 1.729 177.017 175.328 -0.067 0.000 1.050 328 H CA 1.715 57.705 56.048 -0.098 0.000 1.309 328 H CB -0.381 29.334 29.762 -0.078 0.000 1.392 328 H HN 0.808 nan 8.280 nan 0.000 0.554 329 I N -0.299 119.963 120.570 -0.513 0.000 3.176 329 I HA 0.070 4.240 4.170 -0.000 0.000 0.275 329 I C -0.184 175.863 176.117 -0.117 0.000 1.298 329 I CA 0.137 61.269 61.300 -0.279 0.000 1.445 329 I CB 0.008 37.840 38.000 -0.279 0.000 1.075 329 I HN -0.063 nan 8.210 nan 0.000 0.482 330 S N 1.445 117.086 115.700 -0.097 0.000 2.474 330 S HA 0.189 4.659 4.470 -0.000 0.000 0.321 330 S C 0.737 175.312 174.600 -0.041 0.000 1.080 330 S CA -0.575 57.613 58.200 -0.021 0.000 1.106 330 S CB 1.978 65.193 63.200 0.025 0.000 0.984 330 S HN 0.352 nan 8.310 nan 0.000 0.464 331 E N 2.286 122.441 120.200 -0.074 0.000 2.110 331 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 331 E C -0.643 175.735 176.600 -0.369 0.000 0.988 331 E CA 1.472 57.700 56.400 -0.286 0.000 0.804 331 E CB 0.169 29.605 29.700 -0.440 0.000 0.745 331 E HN 0.668 nan 8.360 nan 0.000 0.458 332 Y N -1.306 119.040 120.300 0.076 0.000 2.633 332 Y HA 0.434 4.984 4.550 -0.001 0.000 0.339 332 Y C -0.142 175.827 175.900 0.115 0.000 1.045 332 Y CA -1.266 56.878 58.100 0.072 0.000 1.098 332 Y CB 1.779 40.316 38.460 0.129 0.000 1.296 332 Y HN -0.177 nan 8.280 nan 0.000 0.494 333 V N -2.240 117.809 119.914 0.225 0.000 3.078 333 V HA 0.575 4.694 4.120 -0.000 0.000 0.311 333 V C -0.718 175.243 176.094 -0.222 0.000 1.138 333 V CA -1.338 61.042 62.300 0.134 0.000 1.007 333 V CB 1.847 33.775 31.823 0.175 0.000 1.045 333 V HN 0.814 nan 8.190 nan 0.000 0.432 334 E N 0.857 120.854 120.200 -0.339 0.000 2.373 334 E HA 0.358 4.708 4.350 -0.000 0.000 0.267 334 E C -1.951 174.452 176.600 -0.329 0.000 1.032 334 E CA -0.344 55.572 56.400 -0.807 0.000 0.889 334 E CB 0.890 30.378 29.700 -0.352 0.000 0.984 334 E HN 0.763 nan 8.360 nan 0.000 0.425 335 Y N 4.184 124.197 120.300 -0.478 0.000 2.361 335 Y HA 0.258 4.808 4.550 -0.000 0.000 0.328 335 Y C -1.405 174.517 175.900 0.036 0.000 1.044 335 Y CA -1.122 56.863 58.100 -0.192 0.000 1.085 335 Y CB 1.238 39.543 38.460 -0.258 0.000 1.194 335 Y HN 0.498 nan 8.280 nan 0.000 0.438 336 L N 6.971 128.099 121.223 -0.159 0.000 2.268 336 L HA 0.352 4.692 4.340 -0.000 0.000 0.289 336 L C -1.014 175.925 176.870 0.116 0.000 1.064 336 L CA 0.111 54.911 54.840 -0.065 0.000 0.824 336 L CB -0.172 41.581 42.059 -0.511 0.000 1.202 336 L HN 0.672 nan 8.230 nan 0.000 0.433 337 H N 6.354 125.677 119.070 0.421 0.000 2.472 337 H HA 0.385 4.941 4.556 -0.000 0.000 0.338 337 H C -2.111 173.276 175.328 0.098 0.000 1.133 337 H CA -1.916 54.342 56.048 0.350 0.000 1.216 337 H CB 2.294 32.281 29.762 0.375 0.000 1.497 337 H HN 0.432 nan 8.280 nan 0.000 0.500 338 P HA -0.110 nan 4.420 nan 0.000 0.221 338 P C 0.633 177.878 177.300 -0.091 0.000 1.145 338 P CA 0.984 63.973 63.100 -0.186 0.000 0.795 338 P CB 0.362 31.880 31.700 -0.303 0.000 0.775 339 D N -2.073 118.299 120.400 -0.045 0.000 2.309 339 D HA -0.091 4.549 4.640 -0.000 0.000 0.212 339 D C 0.773 176.812 176.300 -0.435 0.000 0.968 339 D CA 1.075 54.836 54.000 -0.398 0.000 0.882 339 D CB -0.322 39.957 40.800 -0.867 0.000 0.918 339 D HN 0.258 nan 8.370 nan 0.000 0.503 340 F N -2.175 117.907 119.950 0.220 0.000 2.746 340 F HA 0.272 4.799 4.527 -0.000 0.000 0.320 340 F C 0.213 176.260 175.800 0.413 0.000 1.097 340 F CA -0.776 57.382 58.000 0.262 0.000 1.195 340 F CB 0.372 39.539 39.000 0.280 0.000 1.056 340 F HN -0.095 nan 8.300 nan 0.000 0.562 341 W N 0.577 121.980 121.300 0.172 0.000 3.274 341 W HA 0.241 4.900 4.660 -0.001 0.000 0.327 341 W C -0.803 175.723 176.519 0.012 0.000 1.172 341 W CA -0.520 56.892 57.345 0.113 0.000 1.217 341 W CB 1.636 31.113 29.460 0.027 0.000 1.376 341 W HN -0.229 nan 8.180 nan 0.000 0.507 342 N N 2.069 120.369 118.700 -0.667 0.000 2.214 342 N HA 0.178 4.917 4.740 -0.000 0.000 0.214 342 N C 0.702 175.810 175.510 -0.670 0.000 1.132 342 N CA 0.023 52.747 53.050 -0.545 0.000 0.856 342 N CB 0.447 38.704 38.487 -0.384 0.000 1.020 342 N HN 0.435 nan 8.380 nan 0.000 0.509 343 G N -0.668 107.498 108.800 -1.058 0.000 2.414 343 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.236 343 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.236 343 G C 0.939 175.727 174.900 -0.187 0.000 1.293 343 G CA -0.113 44.741 45.100 -0.409 0.000 0.869 343 G HN 0.160 nan 8.290 nan 0.000 0.556 344 T N 2.567 117.056 114.554 -0.107 0.000 2.684 344 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 344 T C 2.511 177.113 174.700 -0.163 0.000 1.036 344 T CA 1.267 63.304 62.100 -0.106 0.000 1.148 344 T CB -0.209 68.660 68.868 0.002 0.000 0.863 344 T HN 0.338 nan 8.240 nan 0.000 0.436 345 L N 0.645 121.824 121.223 -0.074 0.000 2.056 345 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 345 L C 2.975 179.746 176.870 -0.165 0.000 1.078 345 L CA 1.193 55.968 54.840 -0.109 0.000 0.749 345 L CB -1.275 40.779 42.059 -0.008 0.000 0.901 345 L HN 0.277 nan 8.230 nan 0.000 0.433 346 T N -0.861 113.627 114.554 -0.110 0.000 2.699 346 T HA -0.216 4.133 4.350 -0.000 0.000 0.268 346 T C 1.908 176.502 174.700 -0.178 0.000 1.036 346 T CA 1.279 63.304 62.100 -0.125 0.000 1.147 346 T CB -0.111 68.760 68.868 0.006 0.000 0.862 346 T HN 0.300 nan 8.240 nan 0.000 0.446 347 Q N 0.183 119.863 119.800 -0.200 0.000 2.331 347 Q HA 0.131 4.470 4.340 -0.000 0.000 0.203 347 Q C 1.870 177.706 176.000 -0.273 0.000 0.944 347 Q CA 1.008 56.681 55.803 -0.216 0.000 0.892 347 Q CB 0.142 28.760 28.738 -0.199 0.000 0.983 347 Q HN 0.614 nan 8.270 nan 0.000 0.482 348 Q N -1.113 118.447 119.800 -0.400 0.000 2.254 348 Q HA 0.116 4.455 4.340 -0.000 0.000 0.259 348 Q C 1.560 177.138 176.000 -0.703 0.000 0.815 348 Q CA -0.142 55.303 55.803 -0.596 0.000 0.961 348 Q CB 0.575 28.781 28.738 -0.887 0.000 1.140 348 Q HN 0.100 nan 8.270 nan 0.000 0.502 349 L N 1.223 122.113 121.223 -0.555 0.000 2.156 349 L HA 0.028 4.368 4.340 -0.000 0.000 0.208 349 L C 0.712 177.478 176.870 -0.173 0.000 1.095 349 L CA 1.330 55.979 54.840 -0.317 0.000 0.770 349 L CB 0.155 42.133 42.059 -0.136 0.000 0.914 349 L HN 0.078 nan 8.230 nan 0.000 0.439 350 T N -2.051 112.398 114.554 -0.176 0.000 2.908 350 T HA 0.605 4.955 4.350 -0.000 0.000 0.290 350 T C -0.448 174.185 174.700 -0.111 0.000 1.034 350 T CA -0.769 61.262 62.100 -0.115 0.000 1.010 350 T CB 1.780 70.590 68.868 -0.097 0.000 1.068 350 T HN 0.030 nan 8.240 nan 0.000 0.481 351 L N 1.438 122.618 121.223 -0.072 0.000 2.322 351 L HA 0.539 4.878 4.340 -0.000 0.000 0.269 351 L C 0.913 177.758 176.870 -0.042 0.000 1.012 351 L CA -1.160 53.644 54.840 -0.060 0.000 0.815 351 L CB 1.184 43.219 42.059 -0.040 0.000 1.295 351 L HN 0.947 nan 8.230 nan 0.000 0.438 352 N N 1.788 120.465 118.700 -0.039 0.000 2.688 352 N HA -0.157 4.583 4.740 -0.000 0.000 0.258 352 N C -0.456 175.045 175.510 -0.015 0.000 1.016 352 N CA 0.060 53.096 53.050 -0.022 0.000 0.747 352 N CB -0.047 38.436 38.487 -0.007 0.000 0.895 352 N HN 0.579 nan 8.380 nan 0.000 0.543 353 E N 0.884 121.062 120.200 -0.036 0.000 2.384 353 E HA 0.172 4.522 4.350 -0.000 0.000 0.266 353 E C -1.940 174.675 176.600 0.025 0.000 1.012 353 E CA -1.078 55.307 56.400 -0.026 0.000 0.901 353 E CB 0.336 29.967 29.700 -0.115 0.000 0.967 353 E HN 0.305 nan 8.360 nan 0.000 0.435 354 P HA 0.000 nan 4.420 nan 0.000 0.266 354 P C -0.232 177.161 177.300 0.155 0.000 1.195 354 P CA 0.014 63.163 63.100 0.082 0.000 0.768 354 P CB 0.407 32.148 31.700 0.069 0.000 0.838 355 K N 3.134 123.580 120.400 0.077 0.000 2.154 355 K HA 0.271 4.591 4.320 -0.000 0.000 0.264 355 K C -0.494 176.062 176.600 -0.074 0.000 1.008 355 K CA -0.107 56.202 56.287 0.036 0.000 0.937 355 K CB 0.075 32.566 32.500 -0.015 0.000 1.002 355 K HN 0.305 nan 8.250 nan 0.000 0.469 356 I N 4.928 125.340 120.570 -0.265 0.000 2.436 356 I HA 0.171 4.341 4.170 -0.000 0.000 0.289 356 I C -0.176 175.845 176.117 -0.160 0.000 1.083 356 I CA -0.032 61.100 61.300 -0.279 0.000 1.372 356 I CB 0.175 37.854 38.000 -0.536 0.000 1.408 356 I HN 0.407 nan 8.210 nan 0.000 0.516 357 I N 6.148 126.666 120.570 -0.086 0.000 2.410 357 I HA 0.153 4.323 4.170 -0.000 0.000 0.286 357 I C 0.000 176.099 176.117 -0.030 0.000 1.009 357 I CA -0.337 60.930 61.300 -0.056 0.000 1.111 357 I CB 1.434 39.410 38.000 -0.041 0.000 1.262 357 I HN 0.621 nan 8.210 nan 0.000 0.443 358 D N 5.283 125.668 120.400 -0.025 0.000 2.751 358 D HA -0.207 4.433 4.640 -0.000 0.000 0.233 358 D C 1.131 177.445 176.300 0.023 0.000 1.149 358 D CA 1.709 55.707 54.000 -0.003 0.000 0.682 358 D CB -0.619 40.180 40.800 -0.002 0.000 1.068 358 D HN 1.118 nan 8.370 nan 0.000 0.429 359 G N -2.296 106.528 108.800 0.040 0.000 2.199 359 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.254 359 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.254 359 G C 0.436 175.421 174.900 0.142 0.000 0.982 359 G CA 0.700 45.878 45.100 0.131 0.000 0.632 359 G HN 1.401 nan 8.290 nan 0.000 0.529 360 A N -0.354 122.501 122.820 0.058 0.000 2.337 360 A HA 0.878 5.197 4.320 -0.000 0.000 0.331 360 A C -0.290 177.286 177.584 -0.014 0.000 1.137 360 A CA -0.176 51.872 52.037 0.018 0.000 0.807 360 A CB 1.407 20.403 19.000 -0.007 0.000 1.250 360 A HN 1.574 nan 8.150 nan 0.000 0.468 361 I N 0.613 121.148 120.570 -0.057 0.000 2.447 361 I HA 0.406 4.576 4.170 -0.000 0.000 0.287 361 I C -0.533 175.540 176.117 -0.074 0.000 1.023 361 I CA -0.479 60.771 61.300 -0.082 0.000 1.083 361 I CB 1.450 39.346 38.000 -0.173 0.000 1.245 361 I HN 0.582 nan 8.210 nan 0.000 0.434 362 E N 5.546 125.717 120.200 -0.049 0.000 2.413 362 E HA 0.154 4.504 4.350 -0.000 0.000 0.263 362 E C -0.878 175.686 176.600 -0.059 0.000 1.015 362 E CA 0.014 56.384 56.400 -0.049 0.000 0.916 362 E CB 1.683 31.368 29.700 -0.026 0.000 0.947 362 E HN 0.437 nan 8.360 nan 0.000 0.440 363 V N 3.386 123.244 119.914 -0.094 0.000 2.328 363 V HA 0.121 4.241 4.120 -0.000 0.000 0.278 363 V C 0.646 176.718 176.094 -0.037 0.000 1.021 363 V CA -0.649 61.570 62.300 -0.134 0.000 0.838 363 V CB 1.093 32.749 31.823 -0.278 0.000 0.999 363 V HN 0.689 nan 8.190 nan 0.000 0.447 364 S N 2.496 118.216 115.700 0.033 0.000 2.624 364 S HA 0.256 4.726 4.470 -0.000 0.000 0.263 364 S C 0.341 175.067 174.600 0.210 0.000 1.287 364 S CA -0.285 57.976 58.200 0.101 0.000 0.990 364 S CB 1.037 64.290 63.200 0.089 0.000 0.950 364 S HN 0.809 nan 8.310 nan 0.000 0.561 365 D N -1.080 119.429 120.400 0.182 0.000 2.491 365 D HA 0.189 4.829 4.640 -0.000 0.000 0.228 365 D C -0.171 176.190 176.300 0.100 0.000 1.183 365 D CA -0.462 53.642 54.000 0.174 0.000 0.827 365 D CB -0.442 40.446 40.800 0.148 0.000 0.989 365 D HN 0.447 nan 8.370 nan 0.000 0.494 366 K N 1.315 121.779 120.400 0.107 0.000 2.527 366 K HA 0.095 4.415 4.320 -0.000 0.000 0.278 366 K C -2.272 174.360 176.600 0.053 0.000 0.981 366 K CA -1.022 55.307 56.287 0.071 0.000 1.009 366 K CB 0.190 32.735 32.500 0.075 0.000 0.895 366 K HN 0.062 nan 8.250 nan 0.000 0.493 367 P HA -0.079 nan 4.420 nan 0.000 0.267 367 P C 0.449 177.729 177.300 -0.033 0.000 1.200 367 P CA 0.636 63.726 63.100 -0.017 0.000 0.772 367 P CB 0.632 32.320 31.700 -0.021 0.000 0.855 368 G N 1.493 110.253 108.800 -0.066 0.000 2.550 368 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.277 368 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.277 368 G C 0.670 175.424 174.900 -0.243 0.000 1.190 368 G CA 0.173 45.216 45.100 -0.095 0.000 0.971 368 G HN 0.487 nan 8.290 nan 0.000 0.559 369 L N 2.027 123.143 121.223 -0.178 0.000 2.558 369 L HA 0.368 4.708 4.340 -0.000 0.000 0.225 369 L C 2.256 179.162 176.870 0.060 0.000 1.128 369 L CA 0.929 55.638 54.840 -0.218 0.000 0.868 369 L CB -0.433 41.587 42.059 -0.064 0.000 1.006 369 L HN 2.036 nan 8.230 nan 0.000 0.454 370 G N 1.476 110.312 108.800 0.060 0.000 2.198 370 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.257 370 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.257 370 G C 0.106 175.055 174.900 0.081 0.000 1.042 370 G CA -0.161 45.002 45.100 0.105 0.000 0.791 370 G HN 0.307 nan 8.290 nan 0.000 0.502 371 I N 0.204 120.810 120.570 0.059 0.000 2.416 371 I HA 0.293 4.462 4.170 -0.000 0.000 0.288 371 I C 0.619 176.762 176.117 0.043 0.000 1.051 371 I CA -0.265 61.063 61.300 0.047 0.000 1.375 371 I CB 1.232 39.261 38.000 0.049 0.000 1.407 371 I HN 0.170 nan 8.210 nan 0.000 0.516 372 E N 6.426 126.642 120.200 0.025 0.000 2.035 372 E HA 0.291 4.640 4.350 -0.000 0.000 0.271 372 E C -0.995 175.603 176.600 -0.002 0.000 0.953 372 E CA -0.690 55.720 56.400 0.018 0.000 0.777 372 E CB 0.738 30.443 29.700 0.007 0.000 1.104 372 E HN 0.367 nan 8.360 nan 0.000 0.408 373 L N 4.396 125.622 121.223 0.006 0.000 2.380 373 L HA 0.268 4.608 4.340 -0.000 0.000 0.273 373 L C -0.087 176.744 176.870 -0.065 0.000 1.138 373 L CA 0.025 54.835 54.840 -0.050 0.000 0.832 373 L CB 0.770 42.771 42.059 -0.097 0.000 1.124 373 L HN 0.441 nan 8.230 nan 0.000 0.454 374 N N 4.557 123.216 118.700 -0.068 0.000 2.807 374 N HA 0.095 4.835 4.740 -0.000 0.000 0.259 374 N C 0.987 176.481 175.510 -0.026 0.000 1.149 374 N CA 0.214 53.246 53.050 -0.029 0.000 1.042 374 N CB -0.046 38.427 38.487 -0.023 0.000 1.367 374 N HN 0.693 nan 8.380 nan 0.000 0.516 375 I N 1.089 121.603 120.570 -0.092 0.000 2.226 375 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 375 I C 2.170 178.251 176.117 -0.061 0.000 1.100 375 I CA 0.972 62.172 61.300 -0.167 0.000 1.374 375 I CB -0.023 37.917 38.000 -0.101 0.000 1.057 375 I HN 0.527 nan 8.210 nan 0.000 0.413 376 E N 0.449 120.650 120.200 0.003 0.000 2.048 376 E HA -0.311 4.039 4.350 -0.000 0.000 0.202 376 E C 2.151 178.765 176.600 0.023 0.000 1.021 376 E CA 2.083 58.496 56.400 0.022 0.000 0.825 376 E CB -0.263 29.462 29.700 0.041 0.000 0.756 376 E HN 0.429 nan 8.360 nan 0.000 0.454 377 F N 0.940 120.851 119.950 -0.065 0.000 2.120 377 F HA -0.244 4.283 4.527 -0.000 0.000 0.300 377 F C 2.123 177.880 175.800 -0.070 0.000 1.095 377 F CA 1.228 59.190 58.000 -0.063 0.000 1.249 377 F CB -0.296 38.661 39.000 -0.070 0.000 0.995 377 F HN -0.152 nan 8.300 nan 0.000 0.480 378 V N 0.607 120.463 119.914 -0.097 0.000 2.358 378 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 378 V C 2.224 178.211 176.094 -0.180 0.000 1.047 378 V CA 2.342 64.528 62.300 -0.191 0.000 1.035 378 V CB -0.665 31.022 31.823 -0.226 0.000 0.658 378 V HN 0.369 nan 8.190 nan 0.000 0.452 379 E N -0.358 119.777 120.200 -0.108 0.000 2.110 379 E HA -0.289 4.061 4.350 -0.000 0.000 0.193 379 E C 2.243 178.781 176.600 -0.104 0.000 0.988 379 E CA 1.234 57.602 56.400 -0.054 0.000 0.804 379 E CB -0.167 29.532 29.700 -0.002 0.000 0.745 379 E HN 0.632 nan 8.360 nan 0.000 0.458 380 Q N 0.962 120.664 119.800 -0.164 0.000 2.061 380 Q HA -0.162 4.177 4.340 -0.000 0.000 0.204 380 Q C 2.383 178.245 176.000 -0.231 0.000 0.984 380 Q CA 2.140 57.834 55.803 -0.182 0.000 0.846 380 Q CB 0.095 28.716 28.738 -0.196 0.000 0.902 380 Q HN 0.349 nan 8.270 nan 0.000 0.421 381 V N -1.910 117.782 119.914 -0.371 0.000 2.878 381 V HA -0.025 4.095 4.120 -0.000 0.000 0.250 381 V C 2.053 178.049 176.094 -0.164 0.000 1.075 381 V CA 1.510 63.624 62.300 -0.311 0.000 1.096 381 V CB -0.619 30.919 31.823 -0.476 0.000 0.724 381 V HN 0.479 nan 8.190 nan 0.000 0.467 382 T N -2.793 111.684 114.554 -0.128 0.000 3.043 382 T HA 0.309 4.659 4.350 -0.000 0.000 0.263 382 T C 1.866 176.547 174.700 -0.032 0.000 1.094 382 T CA 1.115 63.185 62.100 -0.051 0.000 1.127 382 T CB -0.007 68.857 68.868 -0.007 0.000 0.905 382 T HN 1.630 nan 8.240 nan 0.000 0.490 383 G N 0.350 109.124 108.800 -0.043 0.000 2.159 383 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.256 383 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.256 383 G C 0.042 174.937 174.900 -0.009 0.000 0.977 383 G CA 0.663 45.748 45.100 -0.026 0.000 0.652 383 G HN 1.363 nan 8.290 nan 0.000 0.531 384 H N -0.497 118.574 119.070 0.001 0.000 2.928 384 H HA 0.862 5.418 4.556 -0.000 0.000 0.371 384 H C 0.160 175.510 175.328 0.038 0.000 1.186 384 H CA -0.182 55.876 56.048 0.016 0.000 1.134 384 H CB 1.176 30.949 29.762 0.019 0.000 1.824 384 H HN 0.599 nan 8.280 nan 0.000 0.554 385 K N 1.659 122.081 120.400 0.037 0.000 2.298 385 K HA 0.310 4.629 4.320 -0.000 0.000 0.280 385 K C -0.841 175.813 176.600 0.090 0.000 1.032 385 K CA -0.552 55.771 56.287 0.061 0.000 0.958 385 K CB 0.303 32.824 32.500 0.035 0.000 0.978 385 K HN 0.455 nan 8.250 nan 0.000 0.472 386 F N 0.000 119.929 119.950 -0.036 0.000 2.286 386 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 386 F CA 0.000 57.964 58.000 -0.060 0.000 1.383 386 F CB 0.000 38.964 39.000 -0.060 0.000 1.145 386 F HN 0.000 nan 8.300 nan 0.000 0.574