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 3iem_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.290 176.300 -0.017 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.010 0.000 0.988 1 M CB 0.000 32.598 32.600 -0.004 0.000 1.302 2 R N 2.655 123.141 120.500 -0.024 0.000 2.854 2 R HA 0.844 5.183 4.340 -0.002 0.000 0.271 2 R C -1.582 174.689 176.300 -0.049 0.000 0.996 2 R CA -0.979 55.099 56.100 -0.036 0.000 0.961 2 R CB 2.702 32.980 30.300 -0.037 0.000 1.182 2 R HN 0.625 nan 8.270 nan 0.000 0.479 3 I N 1.297 121.826 120.570 -0.069 0.000 2.534 3 I HA 0.280 4.449 4.170 -0.002 0.000 0.288 3 I C -1.469 174.565 176.117 -0.138 0.000 1.077 3 I CA -0.622 60.623 61.300 -0.091 0.000 1.051 3 I CB 2.172 40.118 38.000 -0.090 0.000 1.234 3 I HN 0.268 nan 8.210 nan 0.000 0.425 4 V N 9.400 129.211 119.914 -0.171 0.000 2.378 4 V HA 0.506 4.625 4.120 -0.002 0.000 0.288 4 V C -2.356 173.467 176.094 -0.452 0.000 1.016 4 V CA -1.732 60.358 62.300 -0.351 0.000 0.840 4 V CB 1.362 32.922 31.823 -0.439 0.000 0.994 4 V HN 0.613 nan 8.190 nan 0.000 0.431 5 P HA 0.276 nan 4.420 nan 0.000 0.276 5 P C -0.493 176.439 177.300 -0.614 0.000 1.253 5 P CA 0.147 63.159 63.100 -0.145 0.000 0.766 5 P CB 0.196 31.854 31.700 -0.070 0.000 0.845 6 F N 2.728 122.587 119.950 -0.152 0.000 2.814 6 F HA 0.531 5.056 4.527 -0.002 0.000 0.326 6 F C 1.084 177.025 175.800 0.235 0.000 1.159 6 F CA 0.080 57.971 58.000 -0.181 0.000 1.234 6 F CB 0.637 39.672 39.000 0.060 0.000 1.016 6 F HN 0.406 nan 8.300 nan 0.000 0.510 7 G N -1.395 107.615 108.800 0.351 0.000 2.316 7 G HA2 0.480 4.438 3.960 -0.002 0.000 0.296 7 G HA3 0.480 4.438 3.960 -0.002 0.000 0.296 7 G C -0.056 174.987 174.900 0.239 0.000 1.399 7 G CA -0.102 45.208 45.100 0.351 0.000 0.833 7 G HN 0.627 nan 8.290 nan 0.000 0.565 8 A N -1.973 120.968 122.820 0.201 0.000 2.771 8 A HA 0.251 4.569 4.320 -0.002 0.000 0.294 8 A C 1.074 178.791 177.584 0.222 0.000 1.500 8 A CA 1.968 54.103 52.037 0.163 0.000 0.829 8 A CB -1.526 17.564 19.000 0.151 0.000 0.998 8 A HN 2.588 nan 8.150 nan 0.000 0.526 9 A N -1.272 121.704 122.820 0.260 0.000 2.260 9 A HA 0.717 5.036 4.320 -0.002 0.000 0.314 9 A C 1.109 178.779 177.584 0.144 0.000 1.257 9 A CA 0.459 52.618 52.037 0.204 0.000 0.871 9 A CB 0.329 19.477 19.000 0.246 0.000 1.166 9 A HN 1.447 nan 8.150 nan 0.000 0.522 10 R N -0.679 119.875 120.500 0.091 0.000 3.977 10 R HA -0.228 4.111 4.340 -0.002 0.000 0.428 10 R C 0.211 176.529 176.300 0.030 0.000 1.079 10 R CA 2.340 58.471 56.100 0.052 0.000 1.269 10 R CB -1.901 28.428 30.300 0.047 0.000 1.856 10 R HN 1.023 nan 8.270 nan 0.000 0.551 11 E N -2.498 117.726 120.200 0.040 0.000 2.446 11 E HA 0.511 4.860 4.350 -0.002 0.000 0.269 11 E C 0.623 177.183 176.600 -0.066 0.000 0.977 11 E CA -0.467 55.934 56.400 0.001 0.000 0.854 11 E CB 0.752 30.481 29.700 0.049 0.000 1.545 11 E HN -0.045 nan 8.360 nan 0.000 0.448 12 V N -2.573 117.252 119.914 -0.148 0.000 2.672 12 V HA 0.108 4.227 4.120 -0.002 0.000 0.242 12 V C 1.038 176.900 176.094 -0.387 0.000 1.059 12 V CA 1.300 63.354 62.300 -0.411 0.000 1.081 12 V CB -0.371 31.200 31.823 -0.420 0.000 0.752 12 V HN 0.796 nan 8.190 nan 0.000 0.472 13 T N -2.339 112.136 114.554 -0.132 0.000 2.824 13 T HA 0.590 4.938 4.350 -0.002 0.000 0.277 13 T C 1.242 175.807 174.700 -0.226 0.000 0.975 13 T CA 0.497 62.531 62.100 -0.110 0.000 0.966 13 T CB 0.797 69.671 68.868 0.010 0.000 1.054 13 T HN 1.874 nan 8.240 nan 0.000 0.533 14 G N 0.203 108.680 108.800 -0.540 0.000 2.157 14 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.248 14 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.248 14 G C 0.273 174.829 174.900 -0.573 0.000 0.979 14 G CA 0.035 44.474 45.100 -1.102 0.000 0.650 14 G HN 1.148 nan 8.290 nan 0.000 0.529 15 S N 0.557 116.017 115.700 -0.399 0.000 3.074 15 S HA 0.371 4.839 4.470 -0.002 0.000 0.359 15 S C 0.561 174.922 174.600 -0.397 0.000 1.207 15 S CA 1.120 59.109 58.200 -0.350 0.000 1.061 15 S CB 0.434 63.389 63.200 -0.408 0.000 0.769 15 S HN 1.991 nan 8.310 nan 0.000 0.512 16 A N 4.559 126.985 122.820 -0.657 0.000 2.511 16 A HA 0.554 4.873 4.320 -0.002 0.000 0.292 16 A C -1.212 175.979 177.584 -0.656 0.000 1.045 16 A CA -0.840 50.927 52.037 -0.449 0.000 0.870 16 A CB 0.805 19.765 19.000 -0.067 0.000 1.361 16 A HN 0.881 nan 8.150 nan 0.000 0.396 17 H N 1.374 120.355 119.070 -0.147 0.000 2.823 17 H HA 0.523 5.078 4.556 -0.002 0.000 0.332 17 H C -0.750 174.455 175.328 -0.205 0.000 0.980 17 H CA -0.649 55.279 56.048 -0.199 0.000 1.286 17 H CB 1.955 31.499 29.762 -0.363 0.000 1.541 17 H HN 0.574 nan 8.280 nan 0.000 0.521 18 L N 3.952 125.136 121.223 -0.065 0.000 2.278 18 L HA 0.253 4.592 4.340 -0.002 0.000 0.287 18 L C -1.050 175.754 176.870 -0.110 0.000 1.072 18 L CA -0.626 54.105 54.840 -0.182 0.000 0.819 18 L CB 0.252 42.144 42.059 -0.278 0.000 1.176 18 L HN 0.530 nan 8.230 nan 0.000 0.435 19 L N 6.672 127.832 121.223 -0.105 0.000 2.265 19 L HA 0.476 4.814 4.340 -0.002 0.000 0.288 19 L C -1.090 175.743 176.870 -0.061 0.000 1.058 19 L CA 0.069 54.869 54.840 -0.066 0.000 0.809 19 L CB 0.744 42.779 42.059 -0.040 0.000 1.179 19 L HN 0.535 nan 8.230 nan 0.000 0.429 20 L N 6.643 127.838 121.223 -0.046 0.000 2.294 20 L HA 0.900 5.239 4.340 -0.002 0.000 0.283 20 L C -0.126 176.731 176.870 -0.022 0.000 1.015 20 L CA -0.248 54.571 54.840 -0.035 0.000 0.831 20 L CB 0.940 42.981 42.059 -0.030 0.000 1.217 20 L HN 0.873 nan 8.230 nan 0.000 0.420 21 A N 1.575 124.385 122.820 -0.017 0.000 2.544 21 A HA 0.638 4.957 4.320 -0.002 0.000 0.291 21 A C 0.463 178.044 177.584 -0.006 0.000 1.055 21 A CA -0.018 52.014 52.037 -0.009 0.000 0.651 21 A CB 0.662 19.659 19.000 -0.005 0.000 1.296 21 A HN 0.872 nan 8.150 nan 0.000 0.431 22 G N -0.685 108.113 108.800 -0.004 0.000 2.269 22 G HA2 0.209 4.168 3.960 -0.002 0.000 0.277 22 G HA3 0.209 4.168 3.960 -0.002 0.000 0.277 22 G C 1.879 176.777 174.900 -0.003 0.000 1.008 22 G CA 1.673 46.771 45.100 -0.003 0.000 0.774 22 G HN 2.978 nan 8.290 nan 0.000 0.511 23 G N -1.867 106.931 108.800 -0.003 0.000 2.246 23 G HA2 -0.106 3.852 3.960 -0.002 0.000 0.273 23 G HA3 -0.106 3.852 3.960 -0.002 0.000 0.273 23 G C 0.194 175.094 174.900 -0.000 0.000 1.055 23 G CA 1.003 46.102 45.100 -0.001 0.000 0.851 23 G HN 1.070 nan 8.290 nan 0.000 0.500 24 R N -1.270 119.228 120.500 -0.004 0.000 2.764 24 R HA 0.590 4.928 4.340 -0.002 0.000 0.270 24 R C -0.292 175.997 176.300 -0.017 0.000 1.014 24 R CA -0.904 55.193 56.100 -0.004 0.000 0.904 24 R CB 1.223 31.523 30.300 0.000 0.000 1.236 24 R HN 0.325 nan 8.270 nan 0.000 0.466 25 R N 0.626 121.112 120.500 -0.024 0.000 2.409 25 R HA 0.551 4.890 4.340 -0.002 0.000 0.313 25 R C -0.888 175.370 176.300 -0.071 0.000 0.953 25 R CA -0.722 55.343 56.100 -0.059 0.000 0.849 25 R CB 2.085 32.342 30.300 -0.072 0.000 1.171 25 R HN 0.185 nan 8.270 nan 0.000 0.458 26 V N 4.681 124.542 119.914 -0.087 0.000 2.407 26 V HA 0.262 4.381 4.120 -0.002 0.000 0.291 26 V C -0.588 175.425 176.094 -0.135 0.000 1.018 26 V CA -0.916 61.334 62.300 -0.082 0.000 0.842 26 V CB 1.763 33.564 31.823 -0.037 0.000 0.996 26 V HN 0.522 nan 8.190 nan 0.000 0.426 27 L N 6.338 127.446 121.223 -0.192 0.000 2.281 27 L HA 0.485 4.824 4.340 -0.002 0.000 0.285 27 L C -0.569 176.232 176.870 -0.114 0.000 1.074 27 L CA 0.069 54.764 54.840 -0.241 0.000 0.817 27 L CB 0.850 42.689 42.059 -0.367 0.000 1.168 27 L HN 0.474 nan 8.230 nan 0.000 0.434 28 L N 6.111 127.280 121.223 -0.089 0.000 2.282 28 L HA 0.443 4.781 4.340 -0.002 0.000 0.287 28 L C -0.328 176.561 176.870 0.032 0.000 1.075 28 L CA 0.150 55.004 54.840 0.023 0.000 0.839 28 L CB -0.417 41.616 42.059 -0.044 0.000 1.219 28 L HN 0.689 nan 8.230 nan 0.000 0.434 29 D N 1.290 121.768 120.400 0.130 0.000 10.873 29 D HA -0.256 4.383 4.640 -0.002 0.000 0.355 29 D C -0.444 175.849 176.300 -0.011 0.000 3.125 29 D CA 0.406 54.484 54.000 0.130 0.000 2.637 29 D CB -0.176 40.797 40.800 0.289 0.000 1.188 29 D HN 0.659 nan 8.370 nan 0.000 0.939 30 C N 2.507 121.808 119.300 0.002 0.000 3.319 30 C HA 0.550 5.009 4.460 -0.002 0.000 0.200 30 C C 0.668 175.666 174.990 0.013 0.000 1.332 30 C CA 0.445 59.460 59.018 -0.006 0.000 1.170 30 C CB -0.652 27.078 27.740 -0.017 0.000 1.855 30 C HN 0.634 nan 8.230 nan 0.000 0.593 31 G N 2.503 111.254 108.800 -0.080 0.000 2.537 31 G HA2 0.555 4.514 3.960 -0.002 0.000 0.273 31 G HA3 0.555 4.514 3.960 -0.002 0.000 0.273 31 G C -0.143 174.666 174.900 -0.152 0.000 1.189 31 G CA -0.473 44.564 45.100 -0.106 0.000 0.881 31 G HN 0.824 nan 8.290 nan 0.000 0.535 32 M N -0.351 119.218 119.600 -0.052 0.000 2.359 32 M HA 0.698 5.177 4.480 -0.002 0.000 0.322 32 M C -1.165 175.049 176.300 -0.143 0.000 1.166 32 M CA -0.544 54.737 55.300 -0.031 0.000 1.067 32 M CB 1.249 34.026 32.600 0.295 0.000 1.523 32 M HN 0.214 nan 8.290 nan 0.000 0.467 33 F N 1.105 121.048 119.950 -0.012 0.000 2.375 33 F HA 0.463 4.989 4.527 -0.002 0.000 0.333 33 F C 0.582 176.394 175.800 0.020 0.000 1.104 33 F CA 0.047 58.035 58.000 -0.020 0.000 1.149 33 F CB 1.148 40.107 39.000 -0.069 0.000 1.190 33 F HN 0.656 nan 8.300 nan 0.000 0.533 34 Q N 0.319 120.253 119.800 0.225 0.000 2.991 34 Q HA 0.622 4.960 4.340 -0.002 0.000 0.322 34 Q C 0.326 176.396 176.000 0.117 0.000 0.978 34 Q CA -0.695 55.201 55.803 0.156 0.000 0.787 34 Q CB 1.928 30.745 28.738 0.133 0.000 1.492 34 Q HN 0.855 nan 8.270 nan 0.000 0.498 35 G N 1.180 110.036 108.800 0.094 0.000 2.574 35 G HA2 -0.348 3.610 3.960 -0.002 0.000 0.282 35 G HA3 -0.348 3.610 3.960 -0.002 0.000 0.282 35 G C -0.220 174.706 174.900 0.044 0.000 1.257 35 G CA 0.241 45.380 45.100 0.065 0.000 0.956 35 G HN 0.500 nan 8.290 nan 0.000 0.560 36 K N 1.217 121.628 120.400 0.019 0.000 3.077 36 K HA 0.113 4.432 4.320 -0.002 0.000 0.269 36 K C 0.712 177.286 176.600 -0.042 0.000 0.973 36 K CA 0.501 56.783 56.287 -0.009 0.000 1.162 36 K CB -0.075 32.413 32.500 -0.019 0.000 1.079 36 K HN 0.427 nan 8.250 nan 0.000 0.456 37 E N -0.720 119.463 120.200 -0.028 0.000 2.633 37 E HA -0.086 4.263 4.350 -0.002 0.000 0.222 37 E C 1.152 177.704 176.600 -0.080 0.000 0.899 37 E CA 0.165 56.495 56.400 -0.116 0.000 1.292 37 E CB 0.564 30.199 29.700 -0.109 0.000 1.257 37 E HN 0.253 nan 8.360 nan 0.000 0.626 38 E N 2.302 122.526 120.200 0.039 0.000 2.236 38 E HA -0.255 4.094 4.350 -0.002 0.000 0.205 38 E C 1.731 178.361 176.600 0.050 0.000 1.028 38 E CA 1.914 58.368 56.400 0.090 0.000 0.827 38 E CB -0.230 29.545 29.700 0.124 0.000 0.735 38 E HN 0.194 nan 8.360 nan 0.000 0.470 39 A N 0.969 123.787 122.820 -0.003 0.000 1.908 39 A HA -0.243 4.076 4.320 -0.002 0.000 0.218 39 A C 2.124 179.660 177.584 -0.079 0.000 1.181 39 A CA 1.884 53.921 52.037 0.001 0.000 0.627 39 A CB -0.561 18.395 19.000 -0.074 0.000 0.818 39 A HN 0.236 nan 8.150 nan 0.000 0.445 40 R N 0.258 120.604 120.500 -0.256 0.000 2.154 40 R HA -0.193 4.145 4.340 -0.002 0.000 0.248 40 R C 1.503 177.655 176.300 -0.246 0.000 1.155 40 R CA 1.681 57.553 56.100 -0.381 0.000 0.979 40 R CB -1.250 28.439 30.300 -1.019 0.000 0.869 40 R HN 0.775 nan 8.270 nan 0.000 0.452 41 N N -0.133 118.396 118.700 -0.284 0.000 2.443 41 N HA -0.108 4.630 4.740 -0.002 0.000 0.184 41 N C 1.170 176.170 175.510 -0.849 0.000 1.037 41 N CA 0.442 53.025 53.050 -0.779 0.000 0.896 41 N CB -0.043 37.584 38.487 -1.433 0.000 0.959 41 N HN 0.399 nan 8.380 nan 0.000 0.442 42 H N -0.571 118.302 119.070 -0.329 0.000 2.575 42 H HA 0.310 4.864 4.556 -0.002 0.000 0.267 42 H C 0.537 175.768 175.328 -0.162 0.000 0.966 42 H CA -0.007 55.941 56.048 -0.168 0.000 1.165 42 H CB 0.512 30.228 29.762 -0.077 0.000 1.433 42 H HN 0.148 nan 8.280 nan 0.000 0.544 43 A N 2.227 124.972 122.820 -0.126 0.000 2.269 43 A HA 0.475 4.794 4.320 -0.002 0.000 0.327 43 A C -1.991 175.469 177.584 -0.206 0.000 1.112 43 A CA -1.525 50.435 52.037 -0.128 0.000 0.865 43 A CB 0.547 19.472 19.000 -0.125 0.000 1.227 43 A HN -0.059 nan 8.150 nan 0.000 0.498 44 P HA 0.093 nan 4.420 nan 0.000 0.271 44 P C 0.071 177.247 177.300 -0.208 0.000 1.233 44 P CA 0.018 63.007 63.100 -0.186 0.000 0.789 44 P CB 0.294 31.945 31.700 -0.081 0.000 0.951 45 F N 0.283 120.075 119.950 -0.263 0.000 2.113 45 F HA 0.075 4.600 4.527 -0.002 0.000 0.297 45 F C 2.196 177.842 175.800 -0.256 0.000 1.103 45 F CA 2.442 60.193 58.000 -0.415 0.000 1.248 45 F CB -0.808 37.471 39.000 -1.201 0.000 0.999 45 F HN 0.618 nan 8.300 nan 0.000 0.475 46 G N -0.988 107.754 108.800 -0.096 0.000 2.205 46 G HA2 -0.147 3.812 3.960 -0.002 0.000 0.180 46 G HA3 -0.147 3.812 3.960 -0.002 0.000 0.180 46 G C -0.074 174.805 174.900 -0.035 0.000 1.004 46 G CA -0.163 45.007 45.100 0.116 0.000 0.670 46 G HN 0.449 nan 8.290 nan 0.000 0.496 47 F N -0.877 118.898 119.950 -0.291 0.000 2.693 47 F HA 0.722 5.248 4.527 -0.002 0.000 0.309 47 F C -1.026 174.667 175.800 -0.177 0.000 1.129 47 F CA -1.772 56.050 58.000 -0.297 0.000 0.948 47 F CB 0.862 39.513 39.000 -0.582 0.000 1.315 47 F HN -0.038 nan 8.300 nan 0.000 0.447 48 D N 3.962 124.382 120.400 0.035 0.000 2.352 48 D HA 0.322 4.961 4.640 -0.002 0.000 0.245 48 D C -1.403 174.906 176.300 0.015 0.000 1.224 48 D CA -2.526 51.462 54.000 -0.020 0.000 0.879 48 D CB 1.229 42.040 40.800 0.019 0.000 1.057 48 D HN 0.309 nan 8.370 nan 0.000 0.491 49 P HA -0.198 nan 4.420 nan 0.000 0.220 49 P C 0.486 177.800 177.300 0.024 0.000 1.144 49 P CA 1.095 64.127 63.100 -0.114 0.000 0.800 49 P CB 0.238 31.804 31.700 -0.223 0.000 0.772 50 K N -0.290 120.128 120.400 0.030 0.000 2.365 50 K HA -0.030 4.289 4.320 -0.002 0.000 0.199 50 K C 1.659 178.295 176.600 0.059 0.000 1.045 50 K CA 0.632 56.948 56.287 0.048 0.000 0.962 50 K CB -0.068 32.442 32.500 0.017 0.000 0.759 50 K HN 0.139 nan 8.250 nan 0.000 0.469 51 E N 0.793 121.026 120.200 0.055 0.000 2.474 51 E HA 0.021 4.369 4.350 -0.002 0.000 0.194 51 E C 0.097 176.721 176.600 0.039 0.000 1.041 51 E CA 0.157 56.583 56.400 0.043 0.000 0.874 51 E CB 0.281 30.002 29.700 0.036 0.000 0.914 51 E HN -0.012 nan 8.360 nan 0.000 0.498 52 V N 2.870 122.816 119.914 0.053 0.000 2.572 52 V HA -0.030 4.089 4.120 -0.002 0.000 0.291 52 V C 1.199 177.386 176.094 0.154 0.000 1.039 52 V CA 0.256 62.557 62.300 0.001 0.000 1.055 52 V CB 1.105 32.782 31.823 -0.243 0.000 0.969 52 V HN 0.034 nan 8.190 nan 0.000 0.482 53 D N 2.764 123.218 120.400 0.090 0.000 2.271 53 D HA 0.327 4.966 4.640 -0.002 0.000 0.206 53 D C 0.548 176.967 176.300 0.198 0.000 0.967 53 D CA 1.199 55.274 54.000 0.125 0.000 0.867 53 D CB 0.945 41.784 40.800 0.065 0.000 0.960 53 D HN 0.700 nan 8.370 nan 0.000 0.509 54 A N -0.272 122.651 122.820 0.171 0.000 2.583 54 A HA 0.519 4.838 4.320 -0.002 0.000 0.292 54 A C -1.612 176.021 177.584 0.082 0.000 1.045 54 A CA -0.575 51.605 52.037 0.239 0.000 0.672 54 A CB 1.244 20.421 19.000 0.295 0.000 1.283 54 A HN -0.120 nan 8.150 nan 0.000 0.419 55 V N 0.749 120.741 119.914 0.131 0.000 2.656 55 V HA 0.679 4.798 4.120 -0.002 0.000 0.307 55 V C -1.114 175.089 176.094 0.182 0.000 1.051 55 V CA -0.481 61.835 62.300 0.027 0.000 0.893 55 V CB 1.609 33.372 31.823 -0.100 0.000 0.999 55 V HN 0.756 nan 8.190 nan 0.000 0.426 56 L N 4.935 126.254 121.223 0.160 0.000 2.362 56 L HA 0.629 4.968 4.340 -0.002 0.000 0.275 56 L C -0.711 176.334 176.870 0.291 0.000 0.998 56 L CA -0.014 54.982 54.840 0.260 0.000 0.820 56 L CB 1.801 43.967 42.059 0.178 0.000 1.270 56 L HN 0.465 nan 8.230 nan 0.000 0.415 57 L N 2.485 123.909 121.223 0.334 0.000 2.325 57 L HA 0.415 4.753 4.340 -0.002 0.000 0.281 57 L C 1.206 178.157 176.870 0.134 0.000 1.004 57 L CA -0.410 54.556 54.840 0.211 0.000 0.823 57 L CB 1.792 43.916 42.059 0.108 0.000 1.236 57 L HN 0.793 nan 8.230 nan 0.000 0.415 58 T N -2.176 112.457 114.554 0.132 0.000 2.857 58 T HA -0.032 4.316 4.350 -0.002 0.000 0.266 58 T C 0.574 175.239 174.700 -0.059 0.000 1.048 58 T CA 0.919 63.015 62.100 -0.007 0.000 1.139 58 T CB -0.186 68.743 68.868 0.103 0.000 0.874 58 T HN 0.733 nan 8.240 nan 0.000 0.455 59 H N -2.194 116.760 119.070 -0.193 0.000 2.967 59 H HA 0.666 5.221 4.556 -0.002 0.000 0.318 59 H C 0.660 175.901 175.328 -0.145 0.000 1.375 59 H CA -0.507 55.400 56.048 -0.236 0.000 1.132 59 H CB 1.118 30.713 29.762 -0.278 0.000 1.848 59 H HN 0.041 nan 8.280 nan 0.000 0.524 60 A N -0.022 122.707 122.820 -0.151 0.000 2.168 60 A HA -0.024 4.295 4.320 -0.002 0.000 0.215 60 A C 0.469 178.040 177.584 -0.021 0.000 1.152 60 A CA 0.187 52.156 52.037 -0.114 0.000 0.716 60 A CB -1.366 17.573 19.000 -0.101 0.000 0.794 60 A HN 0.673 nan 8.150 nan 0.000 0.465 61 H N -0.804 118.247 119.070 -0.031 0.000 3.034 61 H HA 0.045 4.600 4.556 -0.002 0.000 0.324 61 H C 1.188 176.557 175.328 0.068 0.000 1.015 61 H CA -0.612 55.475 56.048 0.066 0.000 1.429 61 H CB 0.687 30.585 29.762 0.226 0.000 1.429 61 H HN 0.184 nan 8.280 nan 0.000 0.585 62 L N 2.999 124.365 121.223 0.238 0.000 2.137 62 L HA -0.234 4.105 4.340 -0.002 0.000 0.213 62 L C 2.054 179.015 176.870 0.150 0.000 1.085 62 L CA 1.789 56.734 54.840 0.174 0.000 0.760 62 L CB -0.556 41.606 42.059 0.171 0.000 0.893 62 L HN 0.800 nan 8.230 nan 0.000 0.434 63 D N -3.154 117.345 120.400 0.165 0.000 2.324 63 D HA -0.146 4.493 4.640 -0.002 0.000 0.235 63 D C 1.198 177.432 176.300 -0.110 0.000 1.095 63 D CA 0.577 54.609 54.000 0.052 0.000 0.871 63 D CB -0.157 40.686 40.800 0.071 0.000 0.906 63 D HN 0.523 nan 8.370 nan 0.000 0.522 64 H N -0.558 118.514 119.070 0.002 0.000 3.643 64 H HA 0.099 4.654 4.556 -0.002 0.000 0.256 64 H C 1.613 176.917 175.328 -0.039 0.000 1.107 64 H CA 0.658 56.676 56.048 -0.051 0.000 1.175 64 H CB 1.715 31.332 29.762 -0.243 0.000 1.519 64 H HN 0.192 nan 8.280 nan 0.000 0.565 65 V N -3.509 116.453 119.914 0.080 0.000 3.497 65 V HA 0.408 4.526 4.120 -0.002 0.000 0.272 65 V C 2.116 178.248 176.094 0.063 0.000 1.474 65 V CA 0.826 63.161 62.300 0.058 0.000 1.025 65 V CB 0.176 32.021 31.823 0.036 0.000 0.820 65 V HN 0.186 nan 8.190 nan 0.000 0.437 66 G N 1.257 110.118 108.800 0.101 0.000 2.545 66 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.222 66 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.222 66 G C 1.635 176.668 174.900 0.221 0.000 1.126 66 G CA 1.367 46.572 45.100 0.175 0.000 0.754 66 G HN 0.527 nan 8.290 nan 0.000 0.583 67 R N -0.697 119.927 120.500 0.208 0.000 2.317 67 R HA 0.244 4.582 4.340 -0.002 0.000 0.208 67 R C 2.143 178.580 176.300 0.229 0.000 0.914 67 R CA -0.283 56.000 56.100 0.304 0.000 1.060 67 R CB -0.110 30.368 30.300 0.298 0.000 1.015 67 R HN 0.346 nan 8.270 nan 0.000 0.498 68 L N 2.473 123.752 121.223 0.093 0.000 2.012 68 L HA -0.101 4.237 4.340 -0.002 0.000 0.210 68 L C -1.013 175.946 176.870 0.148 0.000 1.073 68 L CA 2.080 56.984 54.840 0.107 0.000 0.748 68 L CB -0.772 41.346 42.059 0.099 0.000 0.891 68 L HN 0.030 nan 8.230 nan 0.000 0.431 69 P HA -0.239 nan 4.420 nan 0.000 0.219 69 P C 1.346 178.651 177.300 0.007 0.000 1.146 69 P CA 1.629 64.600 63.100 -0.215 0.000 0.808 69 P CB -0.138 31.011 31.700 -0.918 0.000 0.779 70 K N -0.222 120.215 120.400 0.062 0.000 2.155 70 K HA -0.087 4.232 4.320 -0.002 0.000 0.203 70 K C 2.125 178.919 176.600 0.324 0.000 1.052 70 K CA 0.492 56.943 56.287 0.274 0.000 0.948 70 K CB -0.521 32.203 32.500 0.373 0.000 0.728 70 K HN -0.041 nan 8.250 nan 0.000 0.448 71 L N 0.613 122.014 121.223 0.296 0.000 2.131 71 L HA -0.086 4.253 4.340 -0.002 0.000 0.210 71 L C 1.614 178.459 176.870 -0.042 0.000 1.092 71 L CA 1.594 56.454 54.840 0.034 0.000 0.759 71 L CB -0.236 41.652 42.059 -0.285 0.000 0.903 71 L HN 0.136 nan 8.230 nan 0.000 0.435 72 F N -1.085 118.926 119.950 0.101 0.000 2.262 72 F HA 0.032 4.557 4.527 -0.002 0.000 0.292 72 F C 2.631 178.471 175.800 0.067 0.000 1.081 72 F CA 0.967 59.010 58.000 0.072 0.000 1.355 72 F CB -0.395 38.616 39.000 0.018 0.000 1.069 72 F HN -0.074 nan 8.300 nan 0.000 0.506 73 R N 1.085 121.742 120.500 0.262 0.000 2.170 73 R HA -0.173 4.166 4.340 -0.002 0.000 0.242 73 R C 0.710 177.097 176.300 0.145 0.000 1.145 73 R CA 1.666 57.881 56.100 0.192 0.000 0.984 73 R CB -0.273 30.148 30.300 0.203 0.000 0.869 73 R HN 0.344 nan 8.270 nan 0.000 0.455 74 E N -1.425 118.858 120.200 0.139 0.000 2.370 74 E HA 0.142 4.490 4.350 -0.002 0.000 0.194 74 E C 0.513 177.146 176.600 0.055 0.000 1.057 74 E CA 0.276 56.734 56.400 0.096 0.000 1.011 74 E CB 1.014 30.784 29.700 0.116 0.000 1.132 74 E HN 0.624 nan 8.360 nan 0.000 0.450 75 G N 1.411 110.242 108.800 0.051 0.000 2.376 75 G HA2 -0.324 3.634 3.960 -0.002 0.000 0.208 75 G HA3 -0.324 3.634 3.960 -0.002 0.000 0.208 75 G C 0.025 174.899 174.900 -0.043 0.000 1.032 75 G CA -0.274 44.835 45.100 0.015 0.000 0.641 75 G HN 0.431 nan 8.290 nan 0.000 0.503 76 Y N 2.849 123.007 120.300 -0.237 0.000 2.810 76 Y HA 0.413 4.962 4.550 -0.002 0.000 0.332 76 Y C 1.292 176.898 175.900 -0.490 0.000 1.243 76 Y CA 0.705 58.558 58.100 -0.412 0.000 1.537 76 Y CB 0.495 38.578 38.460 -0.628 0.000 1.265 76 Y HN 0.138 nan 8.280 nan 0.000 0.572 77 R N 4.510 124.383 120.500 -1.046 0.000 2.590 77 R HA 0.218 4.556 4.340 -0.002 0.000 0.410 77 R C 0.387 176.190 176.300 -0.828 0.000 1.010 77 R CA 0.318 55.981 56.100 -0.727 0.000 1.155 77 R CB 0.574 30.731 30.300 -0.238 0.000 1.455 77 R HN 0.873 nan 8.270 nan 0.000 0.567 78 G N 2.054 109.913 108.800 -1.569 0.000 2.563 78 G HA2 0.342 4.301 3.960 -0.002 0.000 0.283 78 G HA3 0.342 4.301 3.960 -0.002 0.000 0.283 78 G C -2.407 172.391 174.900 -0.169 0.000 1.309 78 G CA -0.816 43.878 45.100 -0.677 0.000 1.022 78 G HN -0.108 nan 8.290 nan 0.000 0.501 79 P HA 0.334 nan 4.420 nan 0.000 0.277 79 P C -0.907 176.414 177.300 0.035 0.000 1.240 79 P CA -0.308 62.798 63.100 0.011 0.000 0.798 79 P CB 1.809 33.392 31.700 -0.194 0.000 0.979 80 V N 3.353 123.220 119.914 -0.079 0.000 2.443 80 V HA 0.274 4.393 4.120 -0.002 0.000 0.293 80 V C -0.561 175.435 176.094 -0.163 0.000 1.021 80 V CA -0.521 61.790 62.300 0.018 0.000 0.848 80 V CB 0.583 32.518 31.823 0.186 0.000 0.998 80 V HN 0.396 nan 8.190 nan 0.000 0.424 81 Y N 2.888 123.265 120.300 0.127 0.000 2.323 81 Y HA 0.822 5.370 4.550 -0.002 0.000 0.331 81 Y C 0.494 176.529 175.900 0.225 0.000 1.092 81 Y CA -0.247 57.926 58.100 0.122 0.000 1.150 81 Y CB 1.926 40.406 38.460 0.033 0.000 1.200 81 Y HN 0.811 nan 8.280 nan 0.000 0.472 82 A N 0.602 123.636 122.820 0.356 0.000 2.597 82 A HA 0.571 4.890 4.320 -0.002 0.000 0.292 82 A C -0.427 177.202 177.584 0.075 0.000 1.057 82 A CA -0.782 51.389 52.037 0.225 0.000 0.674 82 A CB 0.280 19.310 19.000 0.049 0.000 1.278 82 A HN 0.705 nan 8.150 nan 0.000 0.416 83 T N -0.678 113.764 114.554 -0.187 0.000 2.856 83 T HA 0.299 4.648 4.350 -0.002 0.000 0.306 83 T C 1.084 175.675 174.700 -0.181 0.000 1.062 83 T CA 0.063 62.032 62.100 -0.218 0.000 1.083 83 T CB 0.468 69.076 68.868 -0.432 0.000 0.984 83 T HN 0.655 nan 8.240 nan 0.000 0.542 84 R N 1.152 121.600 120.500 -0.087 0.000 2.159 84 R HA -0.076 4.262 4.340 -0.002 0.000 0.237 84 R C 2.694 178.838 176.300 -0.260 0.000 1.131 84 R CA 1.204 57.251 56.100 -0.090 0.000 0.982 84 R CB -0.818 29.502 30.300 0.033 0.000 0.868 84 R HN 0.846 nan 8.270 nan 0.000 0.453 85 A N 0.377 122.815 122.820 -0.637 0.000 1.898 85 A HA -0.129 4.190 4.320 -0.002 0.000 0.216 85 A C 2.169 179.472 177.584 -0.469 0.000 1.181 85 A CA 1.735 53.281 52.037 -0.817 0.000 0.620 85 A CB -0.671 17.322 19.000 -1.678 0.000 0.819 85 A HN 0.212 nan 8.150 nan 0.000 0.442 86 T N -0.266 114.037 114.554 -0.418 0.000 2.746 86 T HA -0.113 4.235 4.350 -0.002 0.000 0.267 86 T C 1.895 176.491 174.700 -0.172 0.000 1.039 86 T CA 1.562 63.502 62.100 -0.266 0.000 1.142 86 T CB -0.407 68.314 68.868 -0.245 0.000 0.866 86 T HN 0.147 nan 8.240 nan 0.000 0.444 87 V N 1.468 121.289 119.914 -0.154 0.000 2.287 87 V HA -0.141 3.978 4.120 -0.002 0.000 0.248 87 V C 2.460 178.501 176.094 -0.087 0.000 1.053 87 V CA 1.572 63.815 62.300 -0.095 0.000 1.027 87 V CB -0.616 31.162 31.823 -0.074 0.000 0.646 87 V HN 0.438 nan 8.190 nan 0.000 0.447 88 L N -1.058 120.100 121.223 -0.108 0.000 2.072 88 L HA -0.112 4.227 4.340 -0.002 0.000 0.205 88 L C 2.325 179.157 176.870 -0.064 0.000 1.079 88 L CA 1.269 56.062 54.840 -0.078 0.000 0.752 88 L CB -0.390 41.620 42.059 -0.081 0.000 0.906 88 L HN 0.286 nan 8.230 nan 0.000 0.436 89 L N -1.019 120.150 121.223 -0.090 0.000 2.275 89 L HA -0.187 4.151 4.340 -0.002 0.000 0.215 89 L C 2.560 179.412 176.870 -0.030 0.000 1.119 89 L CA 0.879 55.687 54.840 -0.054 0.000 0.790 89 L CB -0.207 41.799 42.059 -0.087 0.000 0.919 89 L HN 0.339 nan 8.230 nan 0.000 0.443 90 M N -0.881 118.693 119.600 -0.044 0.000 2.123 90 M HA -0.220 4.258 4.480 -0.002 0.000 0.263 90 M C 2.215 178.510 176.300 -0.009 0.000 1.069 90 M CA 1.599 56.885 55.300 -0.023 0.000 1.133 90 M CB -0.300 32.280 32.600 -0.034 0.000 1.356 90 M HN 0.219 nan 8.290 nan 0.000 0.415 91 E N 0.968 121.157 120.200 -0.018 0.000 2.097 91 E HA -0.226 4.122 4.350 -0.002 0.000 0.196 91 E C 1.791 178.395 176.600 0.006 0.000 1.000 91 E CA 1.415 57.808 56.400 -0.012 0.000 0.804 91 E CB -0.058 29.631 29.700 -0.018 0.000 0.740 91 E HN 0.475 nan 8.360 nan 0.000 0.454 92 I N 0.199 120.775 120.570 0.009 0.000 2.090 92 I HA -0.282 3.887 4.170 -0.002 0.000 0.236 92 I C 2.439 178.580 176.117 0.040 0.000 1.064 92 I CA 0.958 62.271 61.300 0.022 0.000 1.324 92 I CB -0.400 37.613 38.000 0.023 0.000 1.044 92 I HN 0.061 nan 8.210 nan 0.000 0.399 93 V N 0.668 120.612 119.914 0.050 0.000 2.332 93 V HA -0.280 3.838 4.120 -0.002 0.000 0.248 93 V C 2.404 178.546 176.094 0.081 0.000 1.055 93 V CA 1.588 63.934 62.300 0.076 0.000 1.038 93 V CB -0.598 31.279 31.823 0.089 0.000 0.651 93 V HN 0.312 nan 8.190 nan 0.000 0.450 94 L N -0.269 120.991 121.223 0.062 0.000 2.093 94 L HA -0.089 4.250 4.340 -0.002 0.000 0.208 94 L C 2.372 179.299 176.870 0.095 0.000 1.085 94 L CA 1.740 56.625 54.840 0.076 0.000 0.755 94 L CB -0.710 41.364 42.059 0.025 0.000 0.904 94 L HN 0.388 nan 8.230 nan 0.000 0.435 95 E N -1.456 118.780 120.200 0.060 0.000 2.299 95 E HA -0.156 4.193 4.350 -0.002 0.000 0.193 95 E C 1.397 178.024 176.600 0.045 0.000 0.998 95 E CA 0.605 57.036 56.400 0.051 0.000 0.851 95 E CB 0.033 29.750 29.700 0.029 0.000 0.795 95 E HN 0.473 nan 8.360 nan 0.000 0.492 96 D N 0.402 120.833 120.400 0.051 0.000 2.323 96 D HA -0.014 4.625 4.640 -0.002 0.000 0.209 96 D C 1.624 177.953 176.300 0.049 0.000 0.973 96 D CA 0.501 54.528 54.000 0.046 0.000 0.874 96 D CB 0.350 41.183 40.800 0.055 0.000 0.930 96 D HN 0.103 nan 8.370 nan 0.000 0.521 97 A N 0.536 123.397 122.820 0.068 0.000 2.072 97 A HA 0.086 4.405 4.320 -0.002 0.000 0.216 97 A C 2.360 179.929 177.584 -0.025 0.000 1.156 97 A CA 0.097 52.170 52.037 0.061 0.000 0.701 97 A CB -0.371 18.713 19.000 0.140 0.000 0.816 97 A HN 0.280 nan 8.150 nan 0.000 0.458 98 L N -0.980 120.234 121.223 -0.014 0.000 2.291 98 L HA -0.092 4.246 4.340 -0.002 0.000 0.214 98 L C 2.112 178.932 176.870 -0.084 0.000 1.120 98 L CA 1.209 55.992 54.840 -0.094 0.000 0.799 98 L CB -0.176 41.872 42.059 -0.019 0.000 0.925 98 L HN 0.367 nan 8.230 nan 0.000 0.446 99 K N -1.426 118.952 120.400 -0.037 0.000 2.354 99 K HA 0.071 4.390 4.320 -0.002 0.000 0.194 99 K C 1.774 178.363 176.600 -0.017 0.000 1.045 99 K CA 0.161 56.433 56.287 -0.026 0.000 1.026 99 K CB 0.732 33.228 32.500 -0.008 0.000 0.866 99 K HN 0.044 nan 8.250 nan 0.000 0.530 100 V N 1.213 121.121 119.914 -0.010 0.000 2.685 100 V HA 0.058 4.177 4.120 -0.002 0.000 0.244 100 V C 1.053 177.146 176.094 -0.002 0.000 1.054 100 V CA 0.263 62.568 62.300 0.009 0.000 1.076 100 V CB 0.025 31.869 31.823 0.036 0.000 0.725 100 V HN 0.331 nan 8.190 nan 0.000 0.467 101 M N 1.196 120.773 119.600 -0.038 0.000 2.390 101 M HA -0.018 4.460 4.480 -0.002 0.000 0.353 101 M C 0.938 177.212 176.300 -0.043 0.000 1.623 101 M CA 0.099 55.366 55.300 -0.055 0.000 1.065 101 M CB 0.491 32.975 32.600 -0.193 0.000 2.025 101 M HN 0.215 nan 8.290 nan 0.000 0.461 102 D N 3.696 124.100 120.400 0.006 0.000 2.088 102 D HA -0.109 4.529 4.640 -0.002 0.000 0.196 102 D C -0.112 176.193 176.300 0.009 0.000 0.983 102 D CA 1.654 55.661 54.000 0.011 0.000 0.846 102 D CB 0.083 40.901 40.800 0.030 0.000 0.992 102 D HN 0.677 nan 8.370 nan 0.000 0.448 103 E N 2.049 122.283 120.200 0.057 0.000 2.079 103 E HA 0.231 4.579 4.350 -0.002 0.000 0.252 103 E C -2.253 174.445 176.600 0.164 0.000 0.992 103 E CA -1.642 54.811 56.400 0.089 0.000 0.829 103 E CB 1.041 30.783 29.700 0.070 0.000 1.158 103 E HN 0.235 nan 8.360 nan 0.000 0.435 104 P HA -0.091 nan 4.420 nan 0.000 0.266 104 P C -0.369 176.861 177.300 -0.117 0.000 1.195 104 P CA 0.045 62.977 63.100 -0.281 0.000 0.768 104 P CB 0.341 31.804 31.700 -0.394 0.000 0.838 105 F N 1.113 120.896 119.950 -0.278 0.000 2.668 105 F HA 0.495 5.021 4.527 -0.002 0.000 0.301 105 F C -0.114 175.720 175.800 0.057 0.000 1.106 105 F CA -1.137 56.756 58.000 -0.178 0.000 1.289 105 F CB -0.328 38.355 39.000 -0.528 0.000 1.006 105 F HN 0.137 nan 8.300 nan 0.000 0.535 106 F N -1.530 118.309 119.950 -0.186 0.000 2.744 106 F HA 0.852 5.378 4.527 -0.002 0.000 0.311 106 F C -0.364 175.376 175.800 -0.101 0.000 1.144 106 F CA -1.830 56.110 58.000 -0.099 0.000 0.938 106 F CB 0.672 39.608 39.000 -0.107 0.000 1.292 106 F HN 0.051 nan 8.300 nan 0.000 0.444 107 G N 0.061 108.993 108.800 0.221 0.000 2.597 107 G HA2 0.630 4.589 3.960 -0.002 0.000 0.317 107 G HA3 0.630 4.589 3.960 -0.002 0.000 0.317 107 G C -2.371 172.639 174.900 0.183 0.000 1.230 107 G CA -2.006 43.158 45.100 0.107 0.000 0.996 107 G HN 0.485 nan 8.290 nan 0.000 0.490 108 P HA -0.178 nan 4.420 nan 0.000 0.216 108 P C 1.393 178.730 177.300 0.063 0.000 1.150 108 P CA 1.579 64.727 63.100 0.078 0.000 0.843 108 P CB 0.190 31.911 31.700 0.035 0.000 0.787 109 E N 0.417 120.650 120.200 0.056 0.000 2.204 109 E HA -0.189 4.160 4.350 -0.002 0.000 0.194 109 E C 1.359 177.982 176.600 0.038 0.000 0.989 109 E CA 1.157 57.579 56.400 0.038 0.000 0.824 109 E CB -1.155 28.569 29.700 0.040 0.000 0.756 109 E HN 0.247 nan 8.360 nan 0.000 0.477 110 D N 1.080 121.527 120.400 0.077 0.000 2.149 110 D HA -0.068 4.571 4.640 -0.002 0.000 0.201 110 D C 2.218 178.496 176.300 -0.036 0.000 0.972 110 D CA 1.140 55.180 54.000 0.067 0.000 0.835 110 D CB 0.098 40.982 40.800 0.140 0.000 0.966 110 D HN 0.121 nan 8.370 nan 0.000 0.476 111 V N 1.438 121.346 119.914 -0.010 0.000 2.307 111 V HA -0.209 3.910 4.120 -0.002 0.000 0.245 111 V C 2.505 178.539 176.094 -0.100 0.000 1.045 111 V CA 1.676 63.936 62.300 -0.066 0.000 1.024 111 V CB -0.507 31.332 31.823 0.028 0.000 0.651 111 V HN 0.219 nan 8.190 nan 0.000 0.449 112 E N 0.197 120.359 120.200 -0.064 0.000 2.118 112 E HA -0.315 4.034 4.350 -0.002 0.000 0.195 112 E C 2.160 178.680 176.600 -0.134 0.000 0.992 112 E CA 1.705 58.058 56.400 -0.078 0.000 0.804 112 E CB -0.008 29.666 29.700 -0.044 0.000 0.741 112 E HN 0.622 nan 8.360 nan 0.000 0.458 113 E N 0.465 120.572 120.200 -0.156 0.000 2.047 113 E HA -0.125 4.224 4.350 -0.002 0.000 0.191 113 E C 1.712 177.962 176.600 -0.584 0.000 0.987 113 E CA 1.459 57.723 56.400 -0.228 0.000 0.799 113 E CB -0.347 29.271 29.700 -0.137 0.000 0.752 113 E HN 0.361 nan 8.360 nan 0.000 0.449 114 A N 0.687 123.047 122.820 -0.767 0.000 1.834 114 A HA -0.180 4.138 4.320 -0.002 0.000 0.216 114 A C 2.340 179.674 177.584 -0.417 0.000 1.203 114 A CA 1.773 53.238 52.037 -0.953 0.000 0.621 114 A CB -1.144 17.623 19.000 -0.387 0.000 0.841 114 A HN 0.325 nan 8.150 nan 0.000 0.446 115 L N -0.404 120.679 121.223 -0.233 0.000 2.089 115 L HA -0.220 4.119 4.340 -0.002 0.000 0.213 115 L C 2.730 179.516 176.870 -0.139 0.000 1.079 115 L CA 1.199 55.958 54.840 -0.136 0.000 0.758 115 L CB -0.948 41.049 42.059 -0.103 0.000 0.891 115 L HN 0.544 nan 8.230 nan 0.000 0.433 116 G N -1.542 107.150 108.800 -0.179 0.000 2.501 116 G HA2 -0.249 3.709 3.960 -0.002 0.000 0.220 116 G HA3 -0.249 3.709 3.960 -0.002 0.000 0.220 116 G C 0.963 175.678 174.900 -0.308 0.000 1.114 116 G CA 0.684 45.651 45.100 -0.223 0.000 0.757 116 G HN 0.493 nan 8.290 nan 0.000 0.559 117 H N -0.934 118.017 119.070 -0.199 0.000 2.586 117 H HA 0.355 4.910 4.556 -0.002 0.000 0.273 117 H C 0.672 175.945 175.328 -0.092 0.000 0.997 117 H CA -0.524 55.462 56.048 -0.103 0.000 1.177 117 H CB 0.289 30.067 29.762 0.026 0.000 1.471 117 H HN 0.142 nan 8.280 nan 0.000 0.538 118 L N 2.034 123.247 121.223 -0.017 0.000 2.477 118 L HA 0.131 4.469 4.340 -0.002 0.000 0.272 118 L C 0.213 177.031 176.870 -0.087 0.000 1.157 118 L CA 0.511 55.325 54.840 -0.044 0.000 0.889 118 L CB 0.390 42.426 42.059 -0.039 0.000 1.158 118 L HN 0.161 nan 8.230 nan 0.000 0.473 119 R N 5.305 125.715 120.500 -0.149 0.000 2.393 119 R HA 0.372 4.710 4.340 -0.002 0.000 0.315 119 R C -2.403 173.908 176.300 0.018 0.000 0.952 119 R CA -1.888 54.139 56.100 -0.122 0.000 0.842 119 R CB 1.797 31.922 30.300 -0.291 0.000 1.163 119 R HN 0.359 nan 8.270 nan 0.000 0.450 120 P HA 0.001 nan 4.420 nan 0.000 0.268 120 P C -0.989 176.403 177.300 0.152 0.000 1.204 120 P CA -0.195 62.955 63.100 0.083 0.000 0.768 120 P CB 0.951 32.677 31.700 0.043 0.000 0.842 121 L N 3.208 124.535 121.223 0.173 0.000 2.491 121 L HA 0.400 4.739 4.340 -0.002 0.000 0.267 121 L C -0.380 176.569 176.870 0.131 0.000 0.971 121 L CA -0.348 54.586 54.840 0.155 0.000 0.857 121 L CB 1.529 43.691 42.059 0.172 0.000 1.226 121 L HN 0.193 nan 8.230 nan 0.000 0.408 122 E N 2.607 122.817 120.200 0.017 0.000 2.267 122 E HA 0.304 4.653 4.350 -0.002 0.000 0.258 122 E C -1.018 175.519 176.600 -0.104 0.000 1.074 122 E CA -0.568 55.772 56.400 -0.100 0.000 0.915 122 E CB 0.483 30.147 29.700 -0.060 0.000 1.186 122 E HN 0.394 nan 8.360 nan 0.000 0.439 123 Y N 0.043 120.357 120.300 0.024 0.000 2.717 123 Y HA 0.234 4.783 4.550 -0.002 0.000 0.330 123 Y C 1.658 177.507 175.900 -0.085 0.000 1.217 123 Y CA 1.246 59.320 58.100 -0.043 0.000 1.506 123 Y CB -0.028 38.383 38.460 -0.082 0.000 1.268 123 Y HN 0.721 nan 8.280 nan 0.000 0.561 124 G N 2.057 110.848 108.800 -0.015 0.000 2.198 124 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.257 124 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.257 124 G C -0.332 174.510 174.900 -0.096 0.000 1.042 124 G CA -0.177 44.881 45.100 -0.070 0.000 0.791 124 G HN 0.613 nan 8.290 nan 0.000 0.502 125 E N -1.003 119.059 120.200 -0.230 0.000 2.199 125 E HA 0.454 4.803 4.350 -0.002 0.000 0.265 125 E C -0.675 175.733 176.600 -0.321 0.000 0.882 125 E CA -0.885 55.431 56.400 -0.139 0.000 0.759 125 E CB 1.151 30.804 29.700 -0.077 0.000 1.148 125 E HN 0.300 nan 8.360 nan 0.000 0.412 126 W N 3.264 124.514 121.300 -0.082 0.000 2.351 126 W HA 0.318 4.977 4.660 -0.002 0.000 0.311 126 W C -0.268 176.160 176.519 -0.152 0.000 1.168 126 W CA -0.569 56.707 57.345 -0.115 0.000 1.200 126 W CB 0.588 30.002 29.460 -0.077 0.000 1.221 126 W HN 0.327 nan 8.180 nan 0.000 0.519 127 L N 5.088 126.282 121.223 -0.048 0.000 2.307 127 L HA 0.543 4.881 4.340 -0.002 0.000 0.282 127 L C -0.334 176.513 176.870 -0.039 0.000 1.051 127 L CA -0.629 54.109 54.840 -0.170 0.000 0.804 127 L CB 0.519 42.318 42.059 -0.434 0.000 1.197 127 L HN 0.277 nan 8.230 nan 0.000 0.431 128 R N 5.766 126.243 120.500 -0.039 0.000 2.360 128 R HA 0.553 4.892 4.340 -0.002 0.000 0.318 128 R C -1.669 174.619 176.300 -0.019 0.000 0.950 128 R CA -0.683 55.414 56.100 -0.006 0.000 0.837 128 R CB 1.287 31.591 30.300 0.006 0.000 1.165 128 R HN 0.488 nan 8.270 nan 0.000 0.458 129 L N 1.939 123.153 121.223 -0.015 0.000 2.372 129 L HA 0.405 4.743 4.340 -0.002 0.000 0.273 129 L C 1.113 177.983 176.870 0.000 0.000 0.989 129 L CA 0.072 54.909 54.840 -0.005 0.000 0.841 129 L CB 1.831 43.886 42.059 -0.007 0.000 1.225 129 L HN 0.910 nan 8.230 nan 0.000 0.414 130 G N 3.042 111.844 108.800 0.003 0.000 2.660 130 G HA2 -0.305 3.654 3.960 -0.002 0.000 0.321 130 G HA3 -0.305 3.654 3.960 -0.002 0.000 0.321 130 G C 0.702 175.600 174.900 -0.003 0.000 1.246 130 G CA 0.653 45.754 45.100 0.001 0.000 1.000 130 G HN 1.050 nan 8.290 nan 0.000 0.550 131 A N -0.817 122.001 122.820 -0.004 0.000 2.415 131 A HA 0.670 4.989 4.320 -0.002 0.000 0.248 131 A C 0.564 178.146 177.584 -0.004 0.000 1.299 131 A CA 0.883 52.915 52.037 -0.008 0.000 0.899 131 A CB 0.025 19.019 19.000 -0.009 0.000 0.997 131 A HN 1.312 nan 8.150 nan 0.000 0.506 132 L N 0.292 121.516 121.223 0.002 0.000 2.322 132 L HA 0.630 4.969 4.340 -0.002 0.000 0.279 132 L C -0.428 176.461 176.870 0.032 0.000 1.036 132 L CA 0.059 54.907 54.840 0.015 0.000 0.807 132 L CB 1.817 43.881 42.059 0.008 0.000 1.226 132 L HN 0.022 nan 8.230 nan 0.000 0.433 133 S N 5.283 121.029 115.700 0.078 0.000 2.561 133 S HA 0.794 5.263 4.470 -0.002 0.000 0.303 133 S C -0.820 173.951 174.600 0.286 0.000 1.110 133 S CA -0.481 57.830 58.200 0.185 0.000 1.034 133 S CB 1.160 64.442 63.200 0.137 0.000 1.010 133 S HN 0.469 nan 8.310 nan 0.000 0.482 134 L N 2.071 123.409 121.223 0.192 0.000 2.333 134 L HA 1.014 5.352 4.340 -0.002 0.000 0.263 134 L C -0.244 176.376 176.870 -0.416 0.000 1.014 134 L CA -0.619 54.187 54.840 -0.057 0.000 0.820 134 L CB 1.948 43.901 42.059 -0.177 0.000 1.352 134 L HN 0.767 nan 8.230 nan 0.000 0.421 135 A N 0.715 123.139 122.820 -0.661 0.000 2.605 135 A HA 0.778 5.096 4.320 -0.002 0.000 0.294 135 A C -1.769 175.474 177.584 -0.567 0.000 1.062 135 A CA -0.456 51.012 52.037 -0.948 0.000 0.682 135 A CB 0.963 18.833 19.000 -1.884 0.000 1.278 135 A HN 0.325 nan 8.150 nan 0.000 0.410 136 F N 0.821 120.526 119.950 -0.409 0.000 2.385 136 F HA 0.641 5.167 4.527 -0.003 0.000 0.336 136 F C 1.099 176.683 175.800 -0.360 0.000 1.100 136 F CA -0.199 57.613 58.000 -0.314 0.000 1.116 136 F CB 2.009 40.853 39.000 -0.261 0.000 1.166 136 F HN 0.751 nan 8.300 nan 0.000 0.511 137 G N 1.214 109.705 108.800 -0.516 0.000 2.481 137 G HA2 0.442 4.400 3.960 -0.002 0.000 0.315 137 G HA3 0.442 4.400 3.960 -0.002 0.000 0.315 137 G C -1.436 172.978 174.900 -0.810 0.000 1.231 137 G CA -0.740 43.712 45.100 -1.080 0.000 0.968 137 G HN 0.424 nan 8.290 nan 0.000 0.482 138 Q N 0.493 119.983 119.800 -0.517 0.000 2.244 138 Q HA 0.447 4.786 4.340 -0.002 0.000 0.278 138 Q C 0.829 176.808 176.000 -0.035 0.000 1.093 138 Q CA 0.650 56.198 55.803 -0.425 0.000 0.916 138 Q CB 1.048 29.510 28.738 -0.461 0.000 1.159 138 Q HN 0.588 nan 8.270 nan 0.000 0.384 139 A N 3.570 126.372 122.820 -0.030 0.000 2.220 139 A HA 0.370 4.689 4.320 -0.002 0.000 0.211 139 A C 1.465 178.998 177.584 -0.085 0.000 1.176 139 A CA 0.484 52.535 52.037 0.023 0.000 0.834 139 A CB -0.436 18.533 19.000 -0.052 0.000 0.868 139 A HN 1.272 nan 8.150 nan 0.000 0.488 140 G N -0.661 108.076 108.800 -0.106 0.000 2.225 140 G HA2 -0.422 3.536 3.960 -0.002 0.000 0.272 140 G HA3 -0.422 3.536 3.960 -0.002 0.000 0.272 140 G C 0.764 175.587 174.900 -0.128 0.000 0.996 140 G CA 1.513 46.543 45.100 -0.116 0.000 0.710 140 G HN 0.872 nan 8.290 nan 0.000 0.522 141 H N -0.766 118.133 119.070 -0.285 0.000 2.465 141 H HA 0.599 5.154 4.556 -0.002 0.000 0.289 141 H C 1.063 176.191 175.328 -0.333 0.000 1.022 141 H CA 1.425 57.254 56.048 -0.365 0.000 1.340 141 H CB 0.139 29.568 29.762 -0.554 0.000 1.437 141 H HN 0.420 nan 8.280 nan 0.000 0.539 142 L N -0.280 120.678 121.223 -0.441 0.000 2.540 142 L HA 0.363 4.702 4.340 -0.002 0.000 0.256 142 L C -2.562 174.113 176.870 -0.326 0.000 1.001 142 L CA -2.502 52.071 54.840 -0.444 0.000 0.843 142 L CB 2.666 44.391 42.059 -0.558 0.000 1.436 142 L HN -0.046 nan 8.230 nan 0.000 0.410 143 P HA 0.093 nan 4.420 nan 0.000 0.261 143 P C 0.487 177.481 177.300 -0.510 0.000 1.203 143 P CA 0.959 63.767 63.100 -0.488 0.000 0.767 143 P CB 0.376 31.680 31.700 -0.660 0.000 0.785 144 G N 2.244 110.829 108.800 -0.359 0.000 2.136 144 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.242 144 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.242 144 G C 0.326 175.064 174.900 -0.271 0.000 0.989 144 G CA 0.186 45.053 45.100 -0.390 0.000 0.682 144 G HN 0.730 nan 8.290 nan 0.000 0.522 145 S N -0.537 115.062 115.700 -0.170 0.000 2.592 145 S HA 0.906 5.375 4.470 -0.002 0.000 0.271 145 S C 0.267 174.794 174.600 -0.121 0.000 1.326 145 S CA 0.748 58.835 58.200 -0.188 0.000 1.024 145 S CB 2.375 65.432 63.200 -0.239 0.000 0.921 145 S HN 2.074 nan 8.310 nan 0.000 0.527 146 A N 1.277 123.972 122.820 -0.208 0.000 2.602 146 A HA 0.766 5.084 4.320 -0.002 0.000 0.290 146 A C -0.881 176.659 177.584 -0.074 0.000 1.114 146 A CA -1.120 50.811 52.037 -0.175 0.000 0.683 146 A CB 0.734 19.464 19.000 -0.450 0.000 1.281 146 A HN 1.316 nan 8.150 nan 0.000 0.416 147 F N -0.605 119.364 119.950 0.031 0.000 2.541 147 F HA 0.869 5.394 4.527 -0.003 0.000 0.331 147 F C -0.578 175.338 175.800 0.194 0.000 1.057 147 F CA -1.282 56.726 58.000 0.012 0.000 0.975 147 F CB 1.360 40.407 39.000 0.079 0.000 1.246 147 F HN 0.303 nan 8.300 nan 0.000 0.484 148 V N 2.387 122.580 119.914 0.464 0.000 2.513 148 V HA 0.481 4.600 4.120 -0.002 0.000 0.299 148 V C -0.553 175.762 176.094 0.367 0.000 1.035 148 V CA -0.878 61.640 62.300 0.364 0.000 0.889 148 V CB 1.608 33.649 31.823 0.363 0.000 0.988 148 V HN 0.727 nan 8.190 nan 0.000 0.440 149 V N 4.137 124.169 119.914 0.197 0.000 2.357 149 V HA 0.738 4.857 4.120 -0.002 0.000 0.284 149 V C 0.332 176.510 176.094 0.140 0.000 1.018 149 V CA -0.410 62.012 62.300 0.204 0.000 0.841 149 V CB 1.426 33.365 31.823 0.193 0.000 0.991 149 V HN 0.984 nan 8.190 nan 0.000 0.437 150 A N 4.906 127.823 122.820 0.160 0.000 2.318 150 A HA 0.806 5.125 4.320 -0.002 0.000 0.324 150 A C -0.519 177.149 177.584 0.139 0.000 1.170 150 A CA -0.550 51.566 52.037 0.132 0.000 0.810 150 A CB 1.299 20.356 19.000 0.096 0.000 1.198 150 A HN 0.766 nan 8.150 nan 0.000 0.484 151 Q N 1.711 121.599 119.800 0.147 0.000 2.274 151 Q HA 0.589 4.928 4.340 -0.002 0.000 0.268 151 Q C -0.621 175.412 176.000 0.055 0.000 1.015 151 Q CA -0.409 55.455 55.803 0.102 0.000 0.775 151 Q CB 2.072 30.881 28.738 0.118 0.000 1.256 151 Q HN 1.242 nan 8.270 nan 0.000 0.442 152 G N 1.875 110.692 108.800 0.029 0.000 2.579 152 G HA2 0.294 4.253 3.960 -0.002 0.000 0.292 152 G HA3 0.294 4.253 3.960 -0.002 0.000 0.292 152 G C -1.112 173.789 174.900 0.002 0.000 1.484 152 G CA -0.600 44.506 45.100 0.010 0.000 0.813 152 G HN 0.719 nan 8.290 nan 0.000 0.515 153 E N -0.827 119.370 120.200 -0.005 0.000 2.440 153 E HA -0.241 4.108 4.350 -0.002 0.000 0.246 153 E C 1.468 178.063 176.600 -0.008 0.000 1.165 153 E CA 1.305 57.701 56.400 -0.007 0.000 0.726 153 E CB -1.302 28.395 29.700 -0.005 0.000 1.271 153 E HN 2.401 nan 8.360 nan 0.000 0.397 154 G N -0.415 108.378 108.800 -0.011 0.000 2.175 154 G HA2 -0.388 3.570 3.960 -0.002 0.000 0.265 154 G HA3 -0.388 3.570 3.960 -0.002 0.000 0.265 154 G C 0.284 175.180 174.900 -0.006 0.000 0.979 154 G CA 0.985 46.077 45.100 -0.012 0.000 0.663 154 G HN 0.213 nan 8.290 nan 0.000 0.533 155 R N -0.421 120.079 120.500 0.000 0.000 2.828 155 R HA 0.760 5.098 4.340 -0.002 0.000 0.264 155 R C -0.669 175.643 176.300 0.021 0.000 1.022 155 R CA -0.376 55.727 56.100 0.006 0.000 1.021 155 R CB 1.153 31.456 30.300 0.004 0.000 1.163 155 R HN 0.111 nan 8.270 nan 0.000 0.494 156 T N 1.941 116.511 114.554 0.026 0.000 2.881 156 T HA 0.386 4.734 4.350 -0.002 0.000 0.291 156 T C -0.897 173.833 174.700 0.049 0.000 0.990 156 T CA -0.573 61.556 62.100 0.049 0.000 0.976 156 T CB 1.199 70.097 68.868 0.050 0.000 0.970 156 T HN 0.306 nan 8.240 nan 0.000 0.438 157 L N 4.417 125.683 121.223 0.071 0.000 2.334 157 L HA 0.918 5.257 4.340 -0.002 0.000 0.273 157 L C -1.328 175.616 176.870 0.123 0.000 1.013 157 L CA -0.618 54.267 54.840 0.076 0.000 0.816 157 L CB 1.721 43.820 42.059 0.068 0.000 1.278 157 L HN 0.434 nan 8.230 nan 0.000 0.431 158 V N 4.778 124.771 119.914 0.132 0.000 2.577 158 V HA 0.367 4.485 4.120 -0.002 0.000 0.303 158 V C -1.349 174.916 176.094 0.284 0.000 1.042 158 V CA -0.506 61.913 62.300 0.198 0.000 0.872 158 V CB 1.497 33.369 31.823 0.081 0.000 0.998 158 V HN 0.751 nan 8.190 nan 0.000 0.423 159 Y N 3.775 124.208 120.300 0.221 0.000 2.328 159 Y HA 0.379 4.927 4.550 -0.002 0.000 0.336 159 Y C 1.353 177.434 175.900 0.301 0.000 0.960 159 Y CA -0.224 57.997 58.100 0.202 0.000 1.134 159 Y CB 2.217 40.789 38.460 0.186 0.000 1.166 159 Y HN 0.732 nan 8.280 nan 0.000 0.464 160 S N 3.821 119.481 115.700 -0.067 0.000 2.489 160 S HA 0.231 4.700 4.470 -0.002 0.000 0.228 160 S C 1.285 175.584 174.600 -0.501 0.000 0.995 160 S CA 0.543 58.605 58.200 -0.230 0.000 0.934 160 S CB -0.575 62.392 63.200 -0.388 0.000 0.771 160 S HN 1.420 nan 8.310 nan 0.000 0.522 161 G N 1.708 109.872 108.800 -1.060 0.000 2.582 161 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.288 161 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.288 161 G C -1.016 173.647 174.900 -0.396 0.000 1.247 161 G CA 0.405 45.114 45.100 -0.651 0.000 0.972 161 G HN 0.529 nan 8.290 nan 0.000 0.557 162 D N 0.780 120.891 120.400 -0.482 0.000 2.217 162 D HA 0.605 5.243 4.640 -0.002 0.000 0.243 162 D C 0.416 176.332 176.300 -0.641 0.000 1.054 162 D CA -0.277 53.326 54.000 -0.663 0.000 0.838 162 D CB 1.302 41.410 40.800 -1.153 0.000 1.162 162 D HN 0.489 nan 8.370 nan 0.000 0.472 163 L N 1.575 122.484 121.223 -0.523 0.000 2.312 163 L HA 0.501 4.839 4.340 -0.002 0.000 0.281 163 L C 1.435 178.128 176.870 -0.295 0.000 1.070 163 L CA -0.656 53.904 54.840 -0.467 0.000 0.805 163 L CB 1.300 42.971 42.059 -0.646 0.000 1.174 163 L HN 0.323 nan 8.230 nan 0.000 0.434 164 G N 1.306 109.988 108.800 -0.197 0.000 2.553 164 G HA2 0.033 3.992 3.960 -0.002 0.000 0.278 164 G HA3 0.033 3.992 3.960 -0.002 0.000 0.278 164 G C -0.427 174.413 174.900 -0.099 0.000 1.349 164 G CA -0.519 44.518 45.100 -0.105 0.000 1.037 164 G HN 0.772 nan 8.290 nan 0.000 0.508 165 N N -0.625 118.012 118.700 -0.106 0.000 2.609 165 N HA 0.129 4.868 4.740 -0.002 0.000 0.234 165 N C 1.674 177.107 175.510 -0.127 0.000 1.001 165 N CA -0.544 52.440 53.050 -0.110 0.000 0.926 165 N CB 0.475 38.857 38.487 -0.175 0.000 1.130 165 N HN 0.554 nan 8.380 nan 0.000 0.510 166 R N 2.240 122.693 120.500 -0.078 0.000 2.316 166 R HA -0.138 4.200 4.340 -0.002 0.000 0.232 166 R C 0.602 176.854 176.300 -0.081 0.000 1.137 166 R CA 1.276 57.336 56.100 -0.066 0.000 1.012 166 R CB -0.107 30.181 30.300 -0.019 0.000 0.859 166 R HN 0.595 nan 8.270 nan 0.000 0.474 167 E N 1.082 121.220 120.200 -0.103 0.000 2.112 167 E HA -0.027 4.322 4.350 -0.002 0.000 0.190 167 E C 0.216 176.652 176.600 -0.274 0.000 0.979 167 E CA 0.567 56.910 56.400 -0.095 0.000 0.814 167 E CB 0.156 29.847 29.700 -0.015 0.000 0.762 167 E HN 0.374 nan 8.360 nan 0.000 0.460 168 K N 0.691 120.743 120.400 -0.581 0.000 2.159 168 K HA -0.009 4.310 4.320 -0.002 0.000 0.242 168 K C 0.001 176.353 176.600 -0.413 0.000 1.043 168 K CA 0.544 56.206 56.287 -1.042 0.000 0.856 168 K CB 0.323 32.297 32.500 -0.877 0.000 1.072 168 K HN -0.086 nan 8.250 nan 0.000 0.514 169 D N -0.895 119.354 120.400 -0.252 0.000 2.500 169 D HA 0.025 4.663 4.640 -0.002 0.000 0.218 169 D C 0.982 177.232 176.300 -0.083 0.000 1.140 169 D CA 0.014 53.993 54.000 -0.035 0.000 0.830 169 D CB 0.614 41.519 40.800 0.175 0.000 1.055 169 D HN 0.084 nan 8.370 nan 0.000 0.512 170 V N 0.489 120.324 119.914 -0.131 0.000 2.488 170 V HA 0.024 4.142 4.120 -0.002 0.000 0.246 170 V C 0.416 176.553 176.094 0.071 0.000 1.046 170 V CA 0.914 63.128 62.300 -0.144 0.000 1.053 170 V CB 0.005 31.811 31.823 -0.029 0.000 0.679 170 V HN 0.140 nan 8.190 nan 0.000 0.458 171 L N 1.020 122.258 121.223 0.025 0.000 2.334 171 L HA 0.519 4.858 4.340 -0.002 0.000 0.272 171 L C -2.259 174.594 176.870 -0.028 0.000 1.020 171 L CA -2.711 52.140 54.840 0.018 0.000 0.812 171 L CB 0.990 43.019 42.059 -0.049 0.000 1.264 171 L HN 0.004 nan 8.230 nan 0.000 0.439 172 P HA 0.052 nan 4.420 nan 0.000 0.271 172 P C -0.827 176.431 177.300 -0.069 0.000 1.218 172 P CA -0.439 62.625 63.100 -0.061 0.000 0.780 172 P CB 0.642 32.284 31.700 -0.098 0.000 0.901 173 D N 3.179 123.550 120.400 -0.049 0.000 2.472 173 D HA 0.061 4.700 4.640 -0.002 0.000 0.237 173 D C -1.952 174.338 176.300 -0.017 0.000 1.141 173 D CA -0.277 53.704 54.000 -0.031 0.000 0.875 173 D CB -0.183 40.612 40.800 -0.008 0.000 1.192 173 D HN 0.235 nan 8.370 nan 0.000 0.450 174 P HA 0.007 nan 4.420 nan 0.000 0.271 174 P C -0.252 177.153 177.300 0.175 0.000 1.216 174 P CA -0.124 63.016 63.100 0.067 0.000 0.776 174 P CB 0.716 32.416 31.700 0.001 0.000 0.881 175 S N 3.156 119.021 115.700 0.276 0.000 2.601 175 S HA 0.305 4.774 4.470 -0.002 0.000 0.271 175 S C 0.092 174.920 174.600 0.380 0.000 1.305 175 S CA -0.678 57.692 58.200 0.283 0.000 1.022 175 S CB -0.081 63.278 63.200 0.266 0.000 0.940 175 S HN 0.235 nan 8.310 nan 0.000 0.525 176 L N 4.265 125.582 121.223 0.157 0.000 2.473 176 L HA 0.355 4.694 4.340 -0.002 0.000 0.268 176 L C -1.631 175.118 176.870 -0.202 0.000 1.215 176 L CA -1.573 53.204 54.840 -0.105 0.000 0.823 176 L CB 0.215 42.195 42.059 -0.133 0.000 1.099 176 L HN 0.617 nan 8.230 nan 0.000 0.483 177 P HA 0.361 nan 4.420 nan 0.000 0.283 177 P C -2.696 174.418 177.300 -0.310 0.000 1.278 177 P CA -1.663 61.040 63.100 -0.662 0.000 0.834 177 P CB 0.607 31.502 31.700 -1.342 0.000 1.150 178 P HA 0.255 nan 4.420 nan 0.000 0.279 178 P C -0.322 176.910 177.300 -0.114 0.000 1.282 178 P CA -0.505 62.564 63.100 -0.051 0.000 0.788 178 P CB 0.525 32.264 31.700 0.064 0.000 1.139 179 L N 0.297 121.476 121.223 -0.073 0.000 2.418 179 L HA 0.375 4.714 4.340 -0.002 0.000 0.274 179 L C 0.300 177.137 176.870 -0.054 0.000 1.135 179 L CA 0.506 55.298 54.840 -0.080 0.000 0.870 179 L CB -0.363 41.664 42.059 -0.053 0.000 1.154 179 L HN 0.501 nan 8.230 nan 0.000 0.462 180 A N 3.246 126.025 122.820 -0.068 0.000 2.413 180 A HA 0.458 4.777 4.320 -0.002 0.000 0.307 180 A C 0.351 177.917 177.584 -0.030 0.000 1.087 180 A CA -0.645 51.371 52.037 -0.035 0.000 0.750 180 A CB 0.834 19.815 19.000 -0.031 0.000 1.296 180 A HN 0.716 nan 8.150 nan 0.000 0.423 181 D N -0.379 120.014 120.400 -0.012 0.000 2.183 181 D HA 0.036 4.674 4.640 -0.002 0.000 0.203 181 D C -0.011 176.282 176.300 -0.011 0.000 0.969 181 D CA 1.547 55.540 54.000 -0.012 0.000 0.842 181 D CB 0.162 40.959 40.800 -0.005 0.000 0.957 181 D HN 0.297 nan 8.370 nan 0.000 0.484 182 L N 0.059 121.279 121.223 -0.005 0.000 2.455 182 L HA 0.369 4.708 4.340 -0.002 0.000 0.264 182 L C -1.617 175.261 176.870 0.012 0.000 0.968 182 L CA -0.744 54.095 54.840 -0.000 0.000 0.827 182 L CB 2.548 44.608 42.059 0.001 0.000 1.317 182 L HN -0.345 nan 8.230 nan 0.000 0.407 183 V N 5.740 125.663 119.914 0.016 0.000 2.419 183 V HA 0.376 4.494 4.120 -0.002 0.000 0.287 183 V C -0.592 175.553 176.094 0.085 0.000 1.017 183 V CA -0.466 61.862 62.300 0.048 0.000 0.844 183 V CB 1.489 33.313 31.823 0.002 0.000 1.011 183 V HN 0.662 nan 8.190 nan 0.000 0.429 184 L N 5.768 127.062 121.223 0.119 0.000 2.312 184 L HA 0.756 5.095 4.340 -0.002 0.000 0.287 184 L C 0.433 177.426 176.870 0.206 0.000 1.091 184 L CA 0.458 55.362 54.840 0.107 0.000 0.846 184 L CB 0.270 42.350 42.059 0.034 0.000 1.219 184 L HN 0.724 nan 8.230 nan 0.000 0.439 185 A N 4.068 126.983 122.820 0.158 0.000 2.354 185 A HA 0.752 5.070 4.320 -0.002 0.000 0.321 185 A C -0.589 177.054 177.584 0.097 0.000 1.125 185 A CA -0.708 51.416 52.037 0.145 0.000 0.799 185 A CB 0.897 20.017 19.000 0.201 0.000 1.293 185 A HN 0.739 nan 8.150 nan 0.000 0.452 186 E N -0.079 120.131 120.200 0.017 0.000 2.319 186 E HA 0.558 4.907 4.350 -0.002 0.000 0.268 186 E C 0.312 176.921 176.600 0.015 0.000 1.050 186 E CA -0.122 56.289 56.400 0.019 0.000 0.878 186 E CB 1.156 30.745 29.700 -0.185 0.000 1.066 186 E HN 0.679 nan 8.360 nan 0.000 0.406 187 G N 1.350 110.186 108.800 0.060 0.000 4.683 187 G HA2 0.055 4.014 3.960 -0.002 0.000 0.273 187 G HA3 0.055 4.014 3.960 -0.002 0.000 0.273 187 G C 0.488 175.390 174.900 0.003 0.000 1.065 187 G CA -0.130 44.991 45.100 0.035 0.000 0.837 187 G HN 0.511 nan 8.290 nan 0.000 0.526 188 T N 0.197 114.735 114.554 -0.027 0.000 2.714 188 T HA -0.236 4.112 4.350 -0.002 0.000 0.268 188 T C 0.841 175.357 174.700 -0.307 0.000 1.036 188 T CA 1.405 63.388 62.100 -0.194 0.000 1.148 188 T CB -0.210 68.355 68.868 -0.506 0.000 0.856 188 T HN 0.389 nan 8.240 nan 0.000 0.462 189 Y N 0.338 120.580 120.300 -0.097 0.000 2.617 189 Y HA 0.516 5.065 4.550 -0.002 0.000 0.328 189 Y C 1.547 177.419 175.900 -0.048 0.000 0.946 189 Y CA -1.117 56.949 58.100 -0.056 0.000 1.241 189 Y CB 0.299 38.732 38.460 -0.045 0.000 1.226 189 Y HN 0.145 nan 8.280 nan 0.000 0.582 190 G N -0.293 108.533 108.800 0.045 0.000 2.776 190 G HA2 -0.176 3.783 3.960 -0.002 0.000 0.209 190 G HA3 -0.176 3.783 3.960 -0.002 0.000 0.209 190 G C 1.149 176.068 174.900 0.032 0.000 1.145 190 G CA 0.950 46.074 45.100 0.039 0.000 0.791 190 G HN 0.491 nan 8.290 nan 0.000 0.530 191 D N 0.178 120.597 120.400 0.032 0.000 2.259 191 D HA 0.082 4.721 4.640 -0.002 0.000 0.216 191 D C 1.202 177.529 176.300 0.044 0.000 0.961 191 D CA 0.312 54.331 54.000 0.032 0.000 0.878 191 D CB 0.127 40.942 40.800 0.025 0.000 1.009 191 D HN 0.410 nan 8.370 nan 0.000 0.490 192 R N -1.297 119.240 120.500 0.062 0.000 2.781 192 R HA 0.706 5.044 4.340 -0.002 0.000 0.269 192 R C -3.083 173.196 176.300 -0.034 0.000 1.025 192 R CA -1.707 54.415 56.100 0.037 0.000 0.914 192 R CB -0.034 30.302 30.300 0.061 0.000 1.236 192 R HN -0.164 nan 8.270 nan 0.000 0.465 193 P HA 0.351 nan 4.420 nan 0.000 0.312 193 P C -0.837 176.279 177.300 -0.307 0.000 1.308 193 P CA -0.452 62.539 63.100 -0.182 0.000 0.743 193 P CB 0.407 32.081 31.700 -0.044 0.000 1.364 194 H N -0.474 118.610 119.070 0.023 0.000 2.572 194 H HA 0.360 4.914 4.556 -0.002 0.000 0.359 194 H C 0.207 175.563 175.328 0.046 0.000 1.134 194 H CA -0.554 55.507 56.048 0.022 0.000 1.187 194 H CB 1.230 30.972 29.762 -0.033 0.000 1.597 194 H HN 0.211 nan 8.280 nan 0.000 0.524 195 R N 2.107 122.720 120.500 0.189 0.000 2.640 195 R HA 0.082 4.421 4.340 -0.002 0.000 0.270 195 R C -2.290 174.078 176.300 0.114 0.000 1.024 195 R CA -1.377 54.799 56.100 0.126 0.000 1.085 195 R CB -0.332 30.038 30.300 0.117 0.000 0.963 195 R HN 0.305 nan 8.270 nan 0.000 0.426 196 P HA -0.186 nan 4.420 nan 0.000 0.259 196 P C -0.278 177.057 177.300 0.058 0.000 1.163 196 P CA 0.740 63.886 63.100 0.076 0.000 0.760 196 P CB 0.168 31.898 31.700 0.051 0.000 0.762 197 Y N 4.675 124.937 120.300 -0.063 0.000 2.403 197 Y HA -0.261 4.288 4.550 -0.002 0.000 0.291 197 Y C 2.276 178.096 175.900 -0.134 0.000 1.143 197 Y CA 1.325 59.330 58.100 -0.158 0.000 1.257 197 Y CB -0.052 38.302 38.460 -0.177 0.000 0.984 197 Y HN 0.155 nan 8.280 nan 0.000 0.550 198 R N 1.168 121.621 120.500 -0.077 0.000 2.070 198 R HA -0.185 4.154 4.340 -0.002 0.000 0.232 198 R C 2.355 178.562 176.300 -0.155 0.000 1.138 198 R CA 2.259 58.292 56.100 -0.113 0.000 0.936 198 R CB -0.650 29.648 30.300 -0.002 0.000 0.839 198 R HN 0.713 nan 8.270 nan 0.000 0.429 199 E N -1.457 118.693 120.200 -0.084 0.000 2.150 199 E HA -0.115 4.234 4.350 -0.002 0.000 0.193 199 E C 1.443 177.998 176.600 -0.075 0.000 0.985 199 E CA 1.570 57.935 56.400 -0.059 0.000 0.814 199 E CB -0.397 29.296 29.700 -0.012 0.000 0.752 199 E HN 0.157 nan 8.360 nan 0.000 0.466 200 T N 1.057 115.542 114.554 -0.116 0.000 2.759 200 T HA -0.113 4.236 4.350 -0.002 0.000 0.269 200 T C 1.925 176.560 174.700 -0.107 0.000 1.042 200 T CA 1.534 63.580 62.100 -0.091 0.000 1.140 200 T CB -0.131 68.636 68.868 -0.169 0.000 0.864 200 T HN 0.074 nan 8.240 nan 0.000 0.455 201 V N 0.796 120.500 119.914 -0.350 0.000 2.951 201 V HA 0.033 4.152 4.120 -0.002 0.000 0.255 201 V C 2.455 178.500 176.094 -0.082 0.000 1.088 201 V CA 1.004 63.153 62.300 -0.251 0.000 1.109 201 V CB -0.549 30.956 31.823 -0.532 0.000 0.724 201 V HN 0.316 nan 8.190 nan 0.000 0.471 202 R N 1.234 121.669 120.500 -0.109 0.000 2.062 202 R HA -0.140 4.198 4.340 -0.002 0.000 0.229 202 R C 2.080 178.363 176.300 -0.029 0.000 1.128 202 R CA 1.677 57.731 56.100 -0.078 0.000 0.960 202 R CB -0.015 30.247 30.300 -0.064 0.000 0.855 202 R HN 0.771 nan 8.270 nan 0.000 0.432 203 E N -0.818 119.388 120.200 0.011 0.000 2.445 203 E HA -0.086 4.262 4.350 -0.002 0.000 0.189 203 E C 1.026 177.656 176.600 0.050 0.000 1.069 203 E CA 0.025 56.433 56.400 0.013 0.000 0.871 203 E CB -0.005 29.711 29.700 0.027 0.000 0.991 203 E HN 0.402 nan 8.360 nan 0.000 0.481 204 F N 0.532 120.452 119.950 -0.050 0.000 2.453 204 F HA 0.263 4.789 4.527 -0.002 0.000 0.284 204 F C 1.564 177.320 175.800 -0.074 0.000 1.065 204 F CA 0.071 58.057 58.000 -0.022 0.000 1.411 204 F CB 0.305 39.384 39.000 0.132 0.000 1.131 204 F HN -0.062 nan 8.300 nan 0.000 0.582 205 L N 0.364 121.523 121.223 -0.108 0.000 2.291 205 L HA -0.064 4.275 4.340 -0.002 0.000 0.214 205 L C 1.895 178.637 176.870 -0.213 0.000 1.120 205 L CA 1.059 55.771 54.840 -0.214 0.000 0.799 205 L CB -0.433 41.545 42.059 -0.134 0.000 0.925 205 L HN 0.237 nan 8.230 nan 0.000 0.446 206 E N 0.240 120.338 120.200 -0.170 0.000 2.086 206 E HA -0.109 4.240 4.350 -0.002 0.000 0.190 206 E C 2.269 178.753 176.600 -0.192 0.000 0.975 206 E CA 0.818 57.131 56.400 -0.144 0.000 0.813 206 E CB 0.096 29.736 29.700 -0.099 0.000 0.768 206 E HN 0.434 nan 8.360 nan 0.000 0.457 207 I N 1.233 121.642 120.570 -0.268 0.000 2.394 207 I HA -0.240 3.929 4.170 -0.002 0.000 0.251 207 I C 2.195 178.119 176.117 -0.322 0.000 1.136 207 I CA 0.846 61.937 61.300 -0.348 0.000 1.425 207 I CB -0.109 37.570 38.000 -0.535 0.000 1.079 207 I HN 0.131 nan 8.210 nan 0.000 0.425 208 L N 0.077 121.058 121.223 -0.404 0.000 2.056 208 L HA -0.193 4.146 4.340 -0.002 0.000 0.207 208 L C 2.571 179.308 176.870 -0.222 0.000 1.078 208 L CA 1.222 55.841 54.840 -0.369 0.000 0.749 208 L CB -0.513 41.245 42.059 -0.501 0.000 0.901 208 L HN 0.190 nan 8.230 nan 0.000 0.433 209 E N 0.807 120.892 120.200 -0.191 0.000 2.028 209 E HA -0.227 4.121 4.350 -0.002 0.000 0.190 209 E C 1.993 178.535 176.600 -0.097 0.000 0.984 209 E CA 1.165 57.490 56.400 -0.125 0.000 0.800 209 E CB -0.019 29.618 29.700 -0.105 0.000 0.758 209 E HN 0.047 nan 8.360 nan 0.000 0.448 210 K N -0.137 120.204 120.400 -0.098 0.000 2.127 210 K HA -0.154 4.165 4.320 -0.002 0.000 0.208 210 K C 1.922 178.490 176.600 -0.054 0.000 1.047 210 K CA 2.276 58.523 56.287 -0.068 0.000 0.927 210 K CB -0.829 31.631 32.500 -0.066 0.000 0.716 210 K HN 0.357 nan 8.250 nan 0.000 0.450 211 T N -2.644 111.870 114.554 -0.068 0.000 3.057 211 T HA 0.135 4.484 4.350 -0.002 0.000 0.254 211 T C 1.840 176.510 174.700 -0.050 0.000 1.094 211 T CA 0.238 62.311 62.100 -0.046 0.000 1.088 211 T CB -0.040 68.805 68.868 -0.039 0.000 0.934 211 T HN 0.144 nan 8.240 nan 0.000 0.497 212 L N 0.780 121.963 121.223 -0.067 0.000 2.202 212 L HA 0.126 4.464 4.340 -0.002 0.000 0.205 212 L C 2.976 179.819 176.870 -0.044 0.000 1.083 212 L CA 0.585 55.389 54.840 -0.059 0.000 0.790 212 L CB -0.366 41.646 42.059 -0.079 0.000 0.942 212 L HN 0.242 nan 8.230 nan 0.000 0.452 213 S N 0.067 115.740 115.700 -0.045 0.000 2.383 213 S HA -0.225 4.244 4.470 -0.002 0.000 0.229 213 S C 1.330 175.915 174.600 -0.025 0.000 1.030 213 S CA 1.249 59.428 58.200 -0.034 0.000 1.002 213 S CB -0.296 62.883 63.200 -0.034 0.000 0.829 213 S HN 0.549 nan 8.310 nan 0.000 0.467 214 Q N 0.744 120.530 119.800 -0.024 0.000 2.412 214 Q HA 0.417 4.756 4.340 -0.002 0.000 0.298 214 Q C 0.866 176.858 176.000 -0.014 0.000 0.938 214 Q CA 0.221 56.014 55.803 -0.016 0.000 0.968 214 Q CB -0.584 28.145 28.738 -0.014 0.000 1.187 214 Q HN 0.337 nan 8.270 nan 0.000 0.421 215 G N 0.465 109.257 108.800 -0.014 0.000 2.291 215 G HA2 -0.365 3.593 3.960 -0.002 0.000 0.287 215 G HA3 -0.365 3.593 3.960 -0.002 0.000 0.287 215 G C 0.528 175.424 174.900 -0.007 0.000 0.998 215 G CA 0.303 45.398 45.100 -0.009 0.000 0.728 215 G HN 0.754 nan 8.290 nan 0.000 0.519 216 G N -1.036 107.757 108.800 -0.012 0.000 2.631 216 G HA2 0.498 4.456 3.960 -0.002 0.000 0.271 216 G HA3 0.498 4.456 3.960 -0.002 0.000 0.271 216 G C 0.093 174.986 174.900 -0.012 0.000 1.302 216 G CA -0.236 44.858 45.100 -0.010 0.000 1.002 216 G HN 0.471 nan 8.290 nan 0.000 0.519 217 K N -1.343 119.051 120.400 -0.011 0.000 2.328 217 K HA 0.532 4.851 4.320 -0.002 0.000 0.246 217 K C -1.211 175.371 176.600 -0.031 0.000 0.955 217 K CA -0.726 55.553 56.287 -0.013 0.000 0.817 217 K CB 2.732 35.232 32.500 0.000 0.000 1.208 217 K HN 0.181 nan 8.250 nan 0.000 0.432 218 V N 3.461 123.350 119.914 -0.042 0.000 2.357 218 V HA 0.253 4.371 4.120 -0.002 0.000 0.284 218 V C -0.894 175.162 176.094 -0.063 0.000 1.018 218 V CA -0.900 61.364 62.300 -0.058 0.000 0.841 218 V CB 0.992 32.765 31.823 -0.083 0.000 0.991 218 V HN 0.489 nan 8.190 nan 0.000 0.437 219 L N 6.827 128.006 121.223 -0.074 0.000 2.264 219 L HA 0.524 4.863 4.340 -0.002 0.000 0.287 219 L C -0.154 176.664 176.870 -0.088 0.000 1.039 219 L CA 0.172 54.954 54.840 -0.097 0.000 0.829 219 L CB 0.811 42.814 42.059 -0.093 0.000 1.211 219 L HN 0.490 nan 8.230 nan 0.000 0.427 220 I N 6.197 126.732 120.570 -0.059 0.000 2.371 220 I HA 0.298 4.467 4.170 -0.002 0.000 0.282 220 I C -2.131 173.976 176.117 -0.017 0.000 1.031 220 I CA -1.676 59.610 61.300 -0.024 0.000 1.180 220 I CB 1.657 39.671 38.000 0.022 0.000 1.336 220 I HN 0.369 nan 8.210 nan 0.000 0.467 221 P HA 0.151 nan 4.420 nan 0.000 0.280 221 P C -0.527 176.751 177.300 -0.036 0.000 1.300 221 P CA 0.022 63.122 63.100 0.001 0.000 0.785 221 P CB 0.755 32.496 31.700 0.069 0.000 0.874 222 T N 0.605 115.118 114.554 -0.068 0.000 2.906 222 T HA 0.593 4.941 4.350 -0.002 0.000 0.295 222 T C -0.064 174.573 174.700 -0.105 0.000 1.061 222 T CA -0.719 61.350 62.100 -0.051 0.000 1.000 222 T CB 0.694 69.592 68.868 0.051 0.000 1.103 222 T HN -0.026 nan 8.240 nan 0.000 0.486 223 F N 0.790 120.797 119.950 0.094 0.000 2.444 223 F HA 0.518 5.044 4.527 -0.002 0.000 0.331 223 F C 1.746 177.594 175.800 0.081 0.000 1.167 223 F CA -0.496 57.559 58.000 0.091 0.000 1.262 223 F CB 0.547 39.604 39.000 0.095 0.000 1.196 223 F HN 0.835 nan 8.300 nan 0.000 0.583 224 A N 1.360 124.329 122.820 0.249 0.000 2.178 224 A HA 0.130 4.449 4.320 -0.002 0.000 0.211 224 A C 1.830 179.492 177.584 0.130 0.000 1.157 224 A CA 0.415 52.538 52.037 0.144 0.000 0.780 224 A CB -0.674 18.388 19.000 0.103 0.000 0.828 224 A HN 0.590 nan 8.150 nan 0.000 0.476 225 V N -0.308 119.730 119.914 0.206 0.000 2.229 225 V HA -0.141 3.978 4.120 -0.002 0.000 0.243 225 V C 2.253 178.437 176.094 0.150 0.000 1.042 225 V CA 2.231 64.639 62.300 0.180 0.000 1.000 225 V CB -0.226 31.766 31.823 0.283 0.000 0.637 225 V HN 0.703 nan 8.190 nan 0.000 0.446 226 E N -1.457 118.854 120.200 0.185 0.000 2.646 226 E HA 0.030 4.379 4.350 -0.002 0.000 0.207 226 E C 1.985 178.705 176.600 0.199 0.000 0.922 226 E CA -0.122 56.399 56.400 0.202 0.000 1.482 226 E CB 0.399 30.207 29.700 0.181 0.000 1.509 226 E HN 0.266 nan 8.360 nan 0.000 0.831 227 R N 1.369 121.997 120.500 0.213 0.000 2.092 227 R HA 0.122 4.461 4.340 -0.002 0.000 0.231 227 R C 1.985 178.401 176.300 0.193 0.000 1.119 227 R CA 1.843 58.082 56.100 0.232 0.000 0.970 227 R CB -0.604 29.886 30.300 0.317 0.000 0.864 227 R HN 0.150 nan 8.270 nan 0.000 0.440 228 A N 1.114 124.030 122.820 0.159 0.000 1.841 228 A HA -0.229 4.090 4.320 -0.002 0.000 0.216 228 A C 1.922 179.579 177.584 0.122 0.000 1.199 228 A CA 1.810 53.912 52.037 0.109 0.000 0.621 228 A CB -0.716 18.325 19.000 0.068 0.000 0.835 228 A HN 0.527 nan 8.150 nan 0.000 0.445 229 Q N -0.032 119.825 119.800 0.094 0.000 2.170 229 Q HA -0.229 4.110 4.340 -0.002 0.000 0.203 229 Q C 1.770 178.015 176.000 0.410 0.000 0.976 229 Q CA 1.704 57.613 55.803 0.176 0.000 0.858 229 Q CB -0.740 27.928 28.738 -0.116 0.000 0.907 229 Q HN 0.880 nan 8.270 nan 0.000 0.433 230 E N 0.683 121.101 120.200 0.364 0.000 2.118 230 E HA -0.178 4.170 4.350 -0.002 0.000 0.195 230 E C 1.878 178.712 176.600 0.390 0.000 0.992 230 E CA 0.963 57.610 56.400 0.411 0.000 0.804 230 E CB 0.101 29.998 29.700 0.328 0.000 0.741 230 E HN 0.261 nan 8.360 nan 0.000 0.458 231 I N 1.032 121.762 120.570 0.266 0.000 2.252 231 I HA -0.230 3.939 4.170 -0.002 0.000 0.245 231 I C 2.466 178.720 176.117 0.228 0.000 1.102 231 I CA 0.979 62.380 61.300 0.169 0.000 1.385 231 I CB -1.033 36.999 38.000 0.054 0.000 1.064 231 I HN 0.295 nan 8.210 nan 0.000 0.414 232 L N -0.633 120.735 121.223 0.243 0.000 2.127 232 L HA -0.279 4.060 4.340 -0.002 0.000 0.211 232 L C 2.658 179.679 176.870 0.252 0.000 1.089 232 L CA 1.382 56.360 54.840 0.231 0.000 0.757 232 L CB -0.669 41.528 42.059 0.229 0.000 0.899 232 L HN 0.210 nan 8.230 nan 0.000 0.434 233 Y N 0.459 120.858 120.300 0.164 0.000 2.184 233 Y HA -0.209 4.340 4.550 -0.002 0.000 0.290 233 Y C 2.490 178.454 175.900 0.107 0.000 1.129 233 Y CA 1.729 59.836 58.100 0.012 0.000 1.144 233 Y CB -0.317 38.094 38.460 -0.082 0.000 0.995 233 Y HN 0.037 nan 8.280 nan 0.000 0.513 234 V N -0.933 119.119 119.914 0.229 0.000 2.332 234 V HA -0.293 3.826 4.120 -0.002 0.000 0.248 234 V C 2.168 178.359 176.094 0.161 0.000 1.055 234 V CA 2.069 64.501 62.300 0.220 0.000 1.038 234 V CB -1.278 30.725 31.823 0.299 0.000 0.651 234 V HN 0.453 nan 8.190 nan 0.000 0.450 235 L N -0.953 120.368 121.223 0.164 0.000 1.961 235 L HA -0.145 4.194 4.340 -0.002 0.000 0.210 235 L C 2.698 179.547 176.870 -0.034 0.000 1.072 235 L CA 2.673 57.574 54.840 0.101 0.000 0.749 235 L CB -1.119 41.010 42.059 0.115 0.000 0.889 235 L HN 0.414 nan 8.230 nan 0.000 0.432 236 Y N 1.654 121.860 120.300 -0.156 0.000 2.132 236 Y HA -0.353 4.196 4.550 -0.002 0.000 0.280 236 Y C 2.580 178.264 175.900 -0.360 0.000 1.193 236 Y CA 2.216 60.163 58.100 -0.255 0.000 1.157 236 Y CB -0.377 37.895 38.460 -0.314 0.000 0.966 236 Y HN 0.332 nan 8.280 nan 0.000 0.511 237 T N -3.314 111.005 114.554 -0.391 0.000 3.235 237 T HA 0.122 4.471 4.350 -0.002 0.000 0.251 237 T C 0.334 174.630 174.700 -0.674 0.000 1.060 237 T CA 0.300 62.074 62.100 -0.544 0.000 0.949 237 T CB -0.251 68.227 68.868 -0.649 0.000 1.020 237 T HN 0.524 nan 8.240 nan 0.000 0.564 238 H N -0.890 117.952 119.070 -0.381 0.000 3.234 238 H HA 0.322 4.877 4.556 -0.002 0.000 0.253 238 H C 1.673 176.664 175.328 -0.562 0.000 1.171 238 H CA -0.030 55.692 56.048 -0.543 0.000 0.990 238 H CB 0.410 30.021 29.762 -0.251 0.000 2.344 238 H HN 0.458 nan 8.280 nan 0.000 0.713 239 G N 0.336 108.911 108.800 -0.375 0.000 2.744 239 G HA2 -0.156 3.802 3.960 -0.002 0.000 0.211 239 G HA3 -0.156 3.802 3.960 -0.002 0.000 0.211 239 G C 0.863 175.642 174.900 -0.202 0.000 1.143 239 G CA 0.033 44.987 45.100 -0.243 0.000 0.788 239 G HN 0.414 nan 8.290 nan 0.000 0.534 240 H N -0.601 118.417 119.070 -0.086 0.000 3.109 240 H HA 0.347 4.901 4.556 -0.002 0.000 0.298 240 H C 1.158 176.462 175.328 -0.040 0.000 1.248 240 H CA -0.222 55.782 56.048 -0.073 0.000 1.204 240 H CB -0.452 29.260 29.762 -0.083 0.000 1.367 240 H HN 0.529 nan 8.280 nan 0.000 0.592 241 R N -0.849 119.658 120.500 0.012 0.000 2.401 241 R HA 0.170 4.509 4.340 -0.002 0.000 0.152 241 R C -1.488 174.788 176.300 -0.040 0.000 0.549 241 R CA -0.350 55.763 56.100 0.021 0.000 0.764 241 R CB -0.590 29.744 30.300 0.056 0.000 1.258 241 R HN 0.215 nan 8.270 nan 0.000 0.520 242 L N 2.842 124.027 121.223 -0.063 0.000 2.346 242 L HA 0.668 5.007 4.340 -0.002 0.000 0.274 242 L C -1.924 174.909 176.870 -0.061 0.000 1.007 242 L CA -2.384 52.411 54.840 -0.074 0.000 0.818 242 L CB 1.770 43.773 42.059 -0.093 0.000 1.284 242 L HN -0.081 nan 8.230 nan 0.000 0.424 243 P HA 0.016 nan 4.420 nan 0.000 0.272 243 P C -0.211 177.058 177.300 -0.052 0.000 1.254 243 P CA -0.484 62.587 63.100 -0.049 0.000 0.795 243 P CB 0.422 32.094 31.700 -0.046 0.000 1.022 244 R N -0.473 120.001 120.500 -0.044 0.000 2.386 244 R HA 0.202 4.541 4.340 -0.002 0.000 0.216 244 R C 0.387 176.655 176.300 -0.053 0.000 1.119 244 R CA -0.145 55.927 56.100 -0.047 0.000 1.158 244 R CB -1.793 28.485 30.300 -0.037 0.000 1.057 244 R HN 0.393 nan 8.270 nan 0.000 0.489 245 A N 3.425 126.212 122.820 -0.056 0.000 2.498 245 A HA 0.285 4.603 4.320 -0.002 0.000 0.239 245 A C -1.794 175.732 177.584 -0.097 0.000 1.068 245 A CA -0.996 51.007 52.037 -0.058 0.000 0.766 245 A CB -0.119 18.850 19.000 -0.052 0.000 1.003 245 A HN 0.325 nan 8.150 nan 0.000 0.497 246 P HA 0.361 nan 4.420 nan 0.000 0.278 246 P C -0.896 176.180 177.300 -0.373 0.000 1.238 246 P CA -0.001 62.913 63.100 -0.309 0.000 0.794 246 P CB 0.811 32.251 31.700 -0.434 0.000 0.955 247 I N 3.382 123.716 120.570 -0.393 0.000 2.328 247 I HA 0.234 4.403 4.170 -0.002 0.000 0.287 247 I C -0.365 175.567 176.117 -0.309 0.000 1.012 247 I CA -0.791 60.362 61.300 -0.244 0.000 1.195 247 I CB 0.428 38.366 38.000 -0.103 0.000 1.350 247 I HN 0.253 nan 8.210 nan 0.000 0.464 248 Y N 6.200 126.503 120.300 0.005 0.000 2.331 248 Y HA 0.351 4.900 4.550 -0.002 0.000 0.338 248 Y C -0.083 175.825 175.900 0.012 0.000 0.976 248 Y CA -0.866 57.240 58.100 0.011 0.000 1.137 248 Y CB 1.517 39.981 38.460 0.007 0.000 1.172 248 Y HN 0.410 nan 8.280 nan 0.000 0.478 249 L N 4.480 125.806 121.223 0.171 0.000 2.352 249 L HA 0.319 4.657 4.340 -0.002 0.000 0.272 249 L C -0.314 176.628 176.870 0.120 0.000 1.109 249 L CA -0.237 54.670 54.840 0.111 0.000 0.952 249 L CB -0.135 41.969 42.059 0.075 0.000 1.314 249 L HN 0.519 nan 8.230 nan 0.000 0.427 250 D N 2.521 122.994 120.400 0.121 0.000 2.545 250 D HA 0.311 4.950 4.640 -0.002 0.000 0.227 250 D C -0.680 175.683 176.300 0.104 0.000 1.150 250 D CA 0.593 54.671 54.000 0.130 0.000 1.046 250 D CB 0.089 41.004 40.800 0.191 0.000 1.098 250 D HN 0.391 nan 8.370 nan 0.000 0.502 251 S N 2.637 118.386 115.700 0.080 0.000 2.467 251 S HA 0.187 4.656 4.470 -0.002 0.000 0.320 251 S C -2.440 172.186 174.600 0.043 0.000 0.940 251 S CA -0.914 57.323 58.200 0.061 0.000 0.896 251 S CB 0.949 64.184 63.200 0.058 0.000 1.172 251 S HN 0.016 nan 8.310 nan 0.000 0.450 252 P HA -0.043 nan 4.420 nan 0.000 0.217 252 P C 1.750 179.059 177.300 0.014 0.000 1.151 252 P CA 0.734 63.844 63.100 0.017 0.000 0.828 252 P CB 0.045 31.747 31.700 0.003 0.000 0.788 253 M N -0.210 119.404 119.600 0.023 0.000 2.067 253 M HA -0.154 4.324 4.480 -0.002 0.000 0.260 253 M C 1.955 178.263 176.300 0.014 0.000 1.069 253 M CA 2.339 57.655 55.300 0.026 0.000 1.117 253 M CB -0.664 31.964 32.600 0.047 0.000 1.334 253 M HN -0.126 nan 8.290 nan 0.000 0.407 254 A N -0.060 122.772 122.820 0.020 0.000 2.084 254 A HA -0.081 4.237 4.320 -0.002 0.000 0.221 254 A C 2.183 179.740 177.584 -0.044 0.000 1.161 254 A CA 1.851 53.885 52.037 -0.003 0.000 0.653 254 A CB -1.536 17.476 19.000 0.020 0.000 0.802 254 A HN 0.733 nan 8.150 nan 0.000 0.457 255 G N -1.217 107.571 108.800 -0.019 0.000 2.453 255 G HA2 -0.080 3.879 3.960 -0.002 0.000 0.215 255 G HA3 -0.080 3.879 3.960 -0.002 0.000 0.215 255 G C 1.720 176.599 174.900 -0.035 0.000 1.147 255 G CA 0.534 45.619 45.100 -0.024 0.000 0.802 255 G HN 0.518 nan 8.290 nan 0.000 0.535 256 R N -0.144 120.342 120.500 -0.023 0.000 2.081 256 R HA -0.025 4.314 4.340 -0.002 0.000 0.235 256 R C 2.635 178.915 176.300 -0.035 0.000 1.131 256 R CA 1.164 57.254 56.100 -0.016 0.000 0.960 256 R CB -0.431 29.868 30.300 -0.002 0.000 0.856 256 R HN 0.273 nan 8.270 nan 0.000 0.436 257 V N 1.291 121.164 119.914 -0.068 0.000 2.343 257 V HA -0.224 3.894 4.120 -0.002 0.000 0.247 257 V C 2.162 178.071 176.094 -0.308 0.000 1.051 257 V CA 1.428 63.654 62.300 -0.123 0.000 1.036 257 V CB -0.407 31.329 31.823 -0.145 0.000 0.654 257 V HN 0.265 nan 8.190 nan 0.000 0.451 258 L N 0.202 121.220 121.223 -0.343 0.000 2.131 258 L HA -0.109 4.230 4.340 -0.002 0.000 0.210 258 L C 2.386 179.177 176.870 -0.132 0.000 1.092 258 L CA 2.049 56.656 54.840 -0.388 0.000 0.759 258 L CB -0.540 41.391 42.059 -0.214 0.000 0.903 258 L HN 0.298 nan 8.230 nan 0.000 0.435 259 S N -0.676 114.996 115.700 -0.047 0.000 2.406 259 S HA -0.074 4.395 4.470 -0.002 0.000 0.228 259 S C 1.723 176.366 174.600 0.072 0.000 1.020 259 S CA 1.111 59.327 58.200 0.028 0.000 0.965 259 S CB -0.387 62.826 63.200 0.022 0.000 0.798 259 S HN 0.436 nan 8.310 nan 0.000 0.488 260 L N 0.754 122.023 121.223 0.077 0.000 2.240 260 L HA 0.146 4.485 4.340 -0.002 0.000 0.211 260 L C 1.720 178.736 176.870 0.243 0.000 1.106 260 L CA 1.323 56.240 54.840 0.128 0.000 0.793 260 L CB -0.708 41.417 42.059 0.109 0.000 0.927 260 L HN 0.313 nan 8.230 nan 0.000 0.446 261 Y N 0.393 120.701 120.300 0.013 0.000 2.114 261 Y HA -0.253 4.296 4.550 -0.002 0.000 0.282 261 Y C -0.146 175.815 175.900 0.102 0.000 1.165 261 Y CA 1.254 59.397 58.100 0.071 0.000 1.148 261 Y CB -1.484 36.889 38.460 -0.146 0.000 0.972 261 Y HN 0.290 nan 8.280 nan 0.000 0.504 262 P HA -0.210 nan 4.420 nan 0.000 0.218 262 P C 1.192 178.457 177.300 -0.058 0.000 1.146 262 P CA 1.707 64.838 63.100 0.051 0.000 0.813 262 P CB -0.114 31.703 31.700 0.196 0.000 0.778 263 R N -0.502 120.014 120.500 0.027 0.000 2.153 263 R HA -0.001 4.338 4.340 -0.002 0.000 0.218 263 R C 0.827 177.128 176.300 0.003 0.000 1.072 263 R CA 0.823 56.928 56.100 0.009 0.000 0.990 263 R CB -0.354 29.965 30.300 0.031 0.000 0.889 263 R HN 0.090 nan 8.270 nan 0.000 0.452 264 L N 0.864 122.097 121.223 0.017 0.000 2.685 264 L HA 0.041 4.380 4.340 -0.002 0.000 0.233 264 L C 1.653 178.487 176.870 -0.060 0.000 1.173 264 L CA 0.444 55.298 54.840 0.024 0.000 0.961 264 L CB 0.059 42.015 42.059 -0.173 0.000 1.217 264 L HN 0.010 nan 8.230 nan 0.000 0.478 265 V N 1.603 121.467 119.914 -0.083 0.000 2.313 265 V HA -0.337 3.782 4.120 -0.002 0.000 0.253 265 V C 2.711 178.783 176.094 -0.036 0.000 1.070 265 V CA 2.513 64.744 62.300 -0.116 0.000 1.057 265 V CB -0.269 31.262 31.823 -0.486 0.000 0.653 265 V HN 0.781 nan 8.190 nan 0.000 0.450 266 R N -1.790 118.596 120.500 -0.190 0.000 2.285 266 R HA -0.115 4.224 4.340 -0.002 0.000 0.213 266 R C 1.697 177.750 176.300 -0.412 0.000 1.068 266 R CA 1.755 57.684 56.100 -0.283 0.000 1.004 266 R CB -0.651 29.420 30.300 -0.382 0.000 0.873 266 R HN 0.602 nan 8.270 nan 0.000 0.467 267 Y N -0.052 120.016 120.300 -0.386 0.000 2.466 267 Y HA 0.242 4.790 4.550 -0.002 0.000 0.272 267 Y C 0.246 175.775 175.900 -0.619 0.000 1.169 267 Y CA -0.293 57.507 58.100 -0.501 0.000 1.285 267 Y CB 0.149 38.218 38.460 -0.652 0.000 1.078 267 Y HN -0.108 nan 8.280 nan 0.000 0.523 268 F N -0.772 119.172 119.950 -0.011 0.000 2.377 268 F HA 0.361 4.887 4.527 -0.002 0.000 0.335 268 F C 1.057 176.839 175.800 -0.030 0.000 1.099 268 F CA -1.633 56.357 58.000 -0.017 0.000 1.072 268 F CB 0.053 39.085 39.000 0.052 0.000 1.417 268 F HN -0.299 nan 8.300 nan 0.000 0.495 269 S N -0.068 115.750 115.700 0.196 0.000 2.600 269 S HA 0.110 4.579 4.470 -0.002 0.000 0.265 269 S C 0.844 175.490 174.600 0.076 0.000 1.325 269 S CA -0.650 57.594 58.200 0.074 0.000 1.002 269 S CB 0.793 64.013 63.200 0.034 0.000 0.921 269 S HN 0.546 nan 8.310 nan 0.000 0.554 270 E N 1.017 121.236 120.200 0.032 0.000 2.130 270 E HA -0.222 4.126 4.350 -0.002 0.000 0.196 270 E C 1.818 178.432 176.600 0.022 0.000 0.998 270 E CA 1.651 58.066 56.400 0.024 0.000 0.806 270 E CB -0.477 29.225 29.700 0.003 0.000 0.738 270 E HN 0.930 nan 8.360 nan 0.000 0.459 271 E N 0.685 120.895 120.200 0.016 0.000 2.031 271 E HA -0.153 4.196 4.350 -0.002 0.000 0.193 271 E C 2.156 178.755 176.600 -0.001 0.000 0.994 271 E CA 1.444 57.833 56.400 -0.019 0.000 0.800 271 E CB 0.131 29.858 29.700 0.043 0.000 0.752 271 E HN 0.030 nan 8.360 nan 0.000 0.447 272 V N 1.339 121.305 119.914 0.087 0.000 2.469 272 V HA -0.276 3.843 4.120 -0.002 0.000 0.251 272 V C 2.391 178.677 176.094 0.320 0.000 1.064 272 V CA 2.026 64.418 62.300 0.153 0.000 1.066 272 V CB -0.565 31.266 31.823 0.013 0.000 0.667 272 V HN 0.337 nan 8.190 nan 0.000 0.461 273 Q N -0.198 119.758 119.800 0.260 0.000 2.083 273 Q HA -0.095 4.244 4.340 -0.002 0.000 0.198 273 Q C 2.474 178.597 176.000 0.205 0.000 0.969 273 Q CA 1.537 57.507 55.803 0.278 0.000 0.838 273 Q CB -0.370 28.458 28.738 0.149 0.000 0.900 273 Q HN 0.664 nan 8.270 nan 0.000 0.436 274 A N 0.927 123.789 122.820 0.071 0.000 1.972 274 A HA -0.221 4.098 4.320 -0.002 0.000 0.219 274 A C 1.714 179.305 177.584 0.012 0.000 1.169 274 A CA 1.326 53.364 52.037 0.002 0.000 0.635 274 A CB -0.618 18.326 19.000 -0.093 0.000 0.810 274 A HN 0.336 nan 8.150 nan 0.000 0.446 275 H N -1.328 117.779 119.070 0.062 0.000 2.293 275 H HA -0.117 4.438 4.556 -0.002 0.000 0.300 275 H C 1.922 177.217 175.328 -0.056 0.000 1.082 275 H CA 1.785 57.810 56.048 -0.038 0.000 1.308 275 H CB -0.703 28.963 29.762 -0.159 0.000 1.375 275 H HN 0.570 nan 8.280 nan 0.000 0.495 276 F N 0.295 120.334 119.950 0.149 0.000 2.202 276 F HA -0.165 4.361 4.527 -0.002 0.000 0.301 276 F C 2.536 178.384 175.800 0.079 0.000 1.082 276 F CA 0.570 58.631 58.000 0.101 0.000 1.313 276 F CB -0.477 38.588 39.000 0.108 0.000 1.024 276 F HN 0.063 nan 8.300 nan 0.000 0.495 277 L N -0.005 121.363 121.223 0.243 0.000 2.141 277 L HA -0.172 4.167 4.340 -0.002 0.000 0.209 277 L C 2.223 179.159 176.870 0.109 0.000 1.094 277 L CA 1.647 56.575 54.840 0.147 0.000 0.763 277 L CB -0.679 41.440 42.059 0.099 0.000 0.908 277 L HN 0.089 nan 8.230 nan 0.000 0.437 278 Q N -0.096 119.765 119.800 0.102 0.000 2.369 278 Q HA 0.077 4.416 4.340 -0.002 0.000 0.206 278 Q C 1.515 177.561 176.000 0.077 0.000 0.963 278 Q CA 0.933 56.783 55.803 0.079 0.000 0.894 278 Q CB -0.139 28.652 28.738 0.088 0.000 0.965 278 Q HN 0.662 nan 8.270 nan 0.000 0.475 279 G N 1.728 110.585 108.800 0.095 0.000 2.134 279 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.209 279 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.209 279 G C -0.143 174.789 174.900 0.053 0.000 0.993 279 G CA 0.257 45.411 45.100 0.091 0.000 0.669 279 G HN 0.379 nan 8.290 nan 0.000 0.519 280 K N -0.412 119.982 120.400 -0.009 0.000 2.345 280 K HA 0.588 4.907 4.320 -0.002 0.000 0.255 280 K C -0.780 175.582 176.600 -0.395 0.000 0.934 280 K CA -1.215 55.009 56.287 -0.105 0.000 0.801 280 K CB 1.752 34.234 32.500 -0.030 0.000 1.137 280 K HN -0.032 nan 8.250 nan 0.000 0.424 281 N N 4.727 123.194 118.700 -0.389 0.000 2.402 281 N HA 0.058 4.797 4.740 -0.002 0.000 0.259 281 N C -1.612 173.370 175.510 -0.879 0.000 1.167 281 N CA -1.877 50.809 53.050 -0.606 0.000 0.949 281 N CB 0.845 39.249 38.487 -0.139 0.000 1.212 281 N HN 0.512 nan 8.380 nan 0.000 0.493 282 P HA -0.052 nan 4.420 nan 0.000 0.239 282 P C 0.460 177.062 177.300 -1.164 0.000 1.184 282 P CA 0.670 62.780 63.100 -1.651 0.000 0.760 282 P CB -0.042 31.041 31.700 -1.028 0.000 0.884 283 F N -0.059 119.613 119.950 -0.463 0.000 2.749 283 F HA 0.227 4.752 4.527 -0.002 0.000 0.300 283 F C 1.566 177.301 175.800 -0.108 0.000 1.103 283 F CA 0.084 58.006 58.000 -0.130 0.000 1.342 283 F CB 0.121 39.121 39.000 0.001 0.000 1.098 283 F HN -0.289 nan 8.300 nan 0.000 0.586 284 R N 1.994 122.455 120.500 -0.064 0.000 2.790 284 R HA 0.231 4.570 4.340 -0.002 0.000 0.274 284 R C -2.506 173.880 176.300 0.143 0.000 1.334 284 R CA -1.656 54.467 56.100 0.038 0.000 1.543 284 R CB 0.124 30.440 30.300 0.026 0.000 1.154 284 R HN -0.055 nan 8.270 nan 0.000 0.601 285 P HA -0.021 nan 4.420 nan 0.000 0.270 285 P C -0.245 177.107 177.300 0.087 0.000 1.223 285 P CA -0.152 63.083 63.100 0.224 0.000 0.785 285 P CB 0.737 32.509 31.700 0.119 0.000 0.923 286 A N 1.346 124.176 122.820 0.016 0.000 2.540 286 A HA 0.397 4.716 4.320 -0.002 0.000 0.239 286 A C 1.290 178.850 177.584 -0.039 0.000 1.061 286 A CA 0.621 52.647 52.037 -0.018 0.000 0.758 286 A CB -1.503 17.464 19.000 -0.055 0.000 0.991 286 A HN 0.958 nan 8.150 nan 0.000 0.502 287 G N 0.414 109.189 108.800 -0.043 0.000 2.370 287 G HA2 0.080 4.039 3.960 -0.002 0.000 0.295 287 G HA3 0.080 4.039 3.960 -0.002 0.000 0.295 287 G C -0.533 174.297 174.900 -0.115 0.000 1.045 287 G CA 0.450 45.502 45.100 -0.080 0.000 1.199 287 G HN 1.862 nan 8.290 nan 0.000 0.513 288 L N -0.508 120.671 121.223 -0.073 0.000 2.362 288 L HA 0.993 5.332 4.340 -0.002 0.000 0.271 288 L C -0.374 176.471 176.870 -0.043 0.000 1.002 288 L CA -1.272 53.526 54.840 -0.070 0.000 0.818 288 L CB 2.110 44.165 42.059 -0.006 0.000 1.298 288 L HN 0.372 nan 8.230 nan 0.000 0.420 289 E N 2.816 123.001 120.200 -0.026 0.000 2.291 289 E HA 0.446 4.795 4.350 -0.002 0.000 0.276 289 E C -1.783 174.897 176.600 0.134 0.000 0.896 289 E CA -0.738 55.703 56.400 0.068 0.000 0.774 289 E CB 2.014 31.782 29.700 0.113 0.000 1.227 289 E HN 0.473 nan 8.360 nan 0.000 0.413 290 V N 4.889 124.869 119.914 0.109 0.000 2.338 290 V HA 0.077 4.196 4.120 -0.002 0.000 0.255 290 V C 0.158 176.326 176.094 0.124 0.000 1.082 290 V CA -0.489 61.874 62.300 0.104 0.000 0.951 290 V CB 0.834 32.697 31.823 0.068 0.000 1.102 290 V HN 0.553 nan 8.190 nan 0.000 0.489 291 V N 6.267 126.267 119.914 0.144 0.000 2.456 291 V HA -0.006 4.113 4.120 -0.002 0.000 0.247 291 V C 1.546 177.700 176.094 0.100 0.000 1.056 291 V CA 0.445 62.819 62.300 0.124 0.000 1.203 291 V CB -0.553 31.330 31.823 0.100 0.000 1.185 291 V HN 0.854 nan 8.190 nan 0.000 0.477 292 E N 2.568 122.839 120.200 0.119 0.000 2.005 292 E HA -0.063 4.285 4.350 -0.002 0.000 0.191 292 E C 0.634 177.235 176.600 0.002 0.000 0.987 292 E CA 0.892 57.322 56.400 0.050 0.000 0.814 292 E CB -0.092 29.633 29.700 0.041 0.000 0.772 292 E HN 0.810 nan 8.360 nan 0.000 0.453 293 H N 0.169 119.246 119.070 0.011 0.000 2.836 293 H HA 0.030 4.584 4.556 -0.002 0.000 0.368 293 H C 1.476 176.798 175.328 -0.011 0.000 1.164 293 H CA 0.823 56.871 56.048 -0.001 0.000 1.425 293 H CB 0.502 30.260 29.762 -0.005 0.000 1.414 293 H HN -0.020 nan 8.280 nan 0.000 0.614 294 T N 1.163 115.770 114.554 0.089 0.000 2.821 294 T HA -0.140 4.209 4.350 -0.002 0.000 0.267 294 T C 1.587 176.289 174.700 0.004 0.000 1.046 294 T CA 1.440 63.555 62.100 0.026 0.000 1.139 294 T CB -0.026 68.844 68.868 0.003 0.000 0.871 294 T HN 0.509 nan 8.240 nan 0.000 0.454 295 E N 1.507 121.719 120.200 0.020 0.000 2.051 295 E HA 0.058 4.407 4.350 -0.002 0.000 0.192 295 E C 2.450 179.023 176.600 -0.045 0.000 0.991 295 E CA 1.130 57.515 56.400 -0.025 0.000 0.799 295 E CB -0.681 29.004 29.700 -0.026 0.000 0.748 295 E HN 0.474 nan 8.360 nan 0.000 0.449 296 A N 0.305 123.113 122.820 -0.020 0.000 1.948 296 A HA -0.271 4.048 4.320 -0.002 0.000 0.220 296 A C 2.321 179.860 177.584 -0.076 0.000 1.177 296 A CA 2.079 54.086 52.037 -0.051 0.000 0.636 296 A CB -0.940 18.053 19.000 -0.012 0.000 0.815 296 A HN 0.271 nan 8.150 nan 0.000 0.449 297 S N -0.705 114.971 115.700 -0.040 0.000 2.359 297 S HA -0.177 4.291 4.470 -0.002 0.000 0.224 297 S C 1.995 176.537 174.600 -0.098 0.000 1.035 297 S CA 1.717 59.895 58.200 -0.036 0.000 1.018 297 S CB -0.212 62.971 63.200 -0.029 0.000 0.876 297 S HN 0.512 nan 8.310 nan 0.000 0.448 298 K N 1.098 121.420 120.400 -0.131 0.000 2.243 298 K HA 0.285 4.604 4.320 -0.002 0.000 0.201 298 K C 2.030 178.526 176.600 -0.174 0.000 1.051 298 K CA 0.861 57.040 56.287 -0.180 0.000 0.970 298 K CB -0.746 31.637 32.500 -0.196 0.000 0.755 298 K HN 0.418 nan 8.250 nan 0.000 0.465 299 A N 0.931 123.669 122.820 -0.137 0.000 2.216 299 A HA -0.004 4.315 4.320 -0.002 0.000 0.214 299 A C 1.947 179.448 177.584 -0.137 0.000 1.160 299 A CA 0.786 52.745 52.037 -0.129 0.000 0.725 299 A CB -0.438 18.498 19.000 -0.106 0.000 0.784 299 A HN 0.153 nan 8.150 nan 0.000 0.472 300 L N -1.188 119.951 121.223 -0.139 0.000 2.408 300 L HA 0.023 4.362 4.340 -0.002 0.000 0.215 300 L C 1.736 178.577 176.870 -0.048 0.000 1.081 300 L CA 0.174 54.923 54.840 -0.153 0.000 0.840 300 L CB -0.333 41.611 42.059 -0.192 0.000 1.002 300 L HN 0.298 nan 8.230 nan 0.000 0.468 301 N N 1.065 119.745 118.700 -0.034 0.000 2.381 301 N HA -0.149 4.589 4.740 -0.002 0.000 0.182 301 N C 1.809 177.294 175.510 -0.041 0.000 1.025 301 N CA 0.980 54.032 53.050 0.003 0.000 0.888 301 N CB 0.028 38.483 38.487 -0.055 0.000 0.965 301 N HN 0.537 nan 8.380 nan 0.000 0.438 302 R N 0.933 121.377 120.500 -0.093 0.000 2.055 302 R HA 0.272 4.611 4.340 -0.002 0.000 0.221 302 R C 0.991 177.268 176.300 -0.038 0.000 1.154 302 R CA 0.293 56.347 56.100 -0.077 0.000 0.975 302 R CB -0.643 29.594 30.300 -0.105 0.000 0.869 302 R HN -0.079 nan 8.270 nan 0.000 0.437 303 A N 4.198 126.992 122.820 -0.042 0.000 2.565 303 A HA 0.173 4.492 4.320 -0.002 0.000 0.237 303 A C -1.957 175.629 177.584 0.003 0.000 1.053 303 A CA -0.901 51.125 52.037 -0.018 0.000 0.755 303 A CB -0.318 18.670 19.000 -0.020 0.000 0.980 303 A HN 0.380 nan 8.150 nan 0.000 0.506 304 P HA 0.299 nan 4.420 nan 0.000 0.276 304 P C 0.563 177.880 177.300 0.029 0.000 1.244 304 P CA 0.113 63.224 63.100 0.018 0.000 0.801 304 P CB 0.904 32.612 31.700 0.012 0.000 1.006 305 G N 1.744 110.559 108.800 0.026 0.000 2.583 305 G HA2 0.304 4.263 3.960 -0.002 0.000 0.275 305 G HA3 0.304 4.263 3.960 -0.002 0.000 0.275 305 G C -2.205 172.707 174.900 0.020 0.000 1.342 305 G CA -0.979 44.138 45.100 0.028 0.000 1.030 305 G HN 0.454 nan 8.290 nan 0.000 0.520 306 P HA 0.369 nan 4.420 nan 0.000 0.278 306 P C -0.497 176.815 177.300 0.021 0.000 1.238 306 P CA 0.087 63.190 63.100 0.005 0.000 0.794 306 P CB 1.280 32.972 31.700 -0.014 0.000 0.955 307 M N 0.075 119.687 119.600 0.021 0.000 2.724 307 M HA 0.400 4.879 4.480 -0.002 0.000 0.280 307 M C -2.212 174.106 176.300 0.030 0.000 1.090 307 M CA -0.900 54.428 55.300 0.047 0.000 0.838 307 M CB 1.204 33.905 32.600 0.169 0.000 1.729 307 M HN -0.091 nan 8.290 nan 0.000 0.530 308 V N 2.354 122.280 119.914 0.020 0.000 2.417 308 V HA 0.773 4.892 4.120 -0.002 0.000 0.291 308 V C -0.693 175.432 176.094 0.051 0.000 1.024 308 V CA -0.657 61.646 62.300 0.006 0.000 0.861 308 V CB 1.708 33.520 31.823 -0.018 0.000 0.985 308 V HN 0.699 nan 8.190 nan 0.000 0.436 309 V N 6.380 126.297 119.914 0.005 0.000 2.487 309 V HA 0.499 4.618 4.120 -0.002 0.000 0.298 309 V C -0.345 175.715 176.094 -0.056 0.000 1.028 309 V CA -0.494 61.794 62.300 -0.020 0.000 0.860 309 V CB 1.841 33.540 31.823 -0.207 0.000 0.991 309 V HN 0.641 nan 8.190 nan 0.000 0.427 310 L N 4.641 125.867 121.223 0.005 0.000 2.296 310 L HA 0.953 5.292 4.340 -0.002 0.000 0.286 310 L C 0.069 176.952 176.870 0.022 0.000 1.023 310 L CA -0.311 54.537 54.840 0.013 0.000 0.812 310 L CB 1.594 43.680 42.059 0.046 0.000 1.223 310 L HN 0.789 nan 8.230 nan 0.000 0.421 311 A N 2.170 125.000 122.820 0.018 0.000 2.605 311 A HA 0.806 5.124 4.320 -0.002 0.000 0.294 311 A C -0.656 176.946 177.584 0.030 0.000 1.062 311 A CA -0.138 51.932 52.037 0.056 0.000 0.682 311 A CB 1.488 20.568 19.000 0.134 0.000 1.278 311 A HN 0.723 nan 8.150 nan 0.000 0.410 312 G N -0.386 108.429 108.800 0.025 0.000 2.820 312 G HA2 0.599 4.557 3.960 -0.002 0.000 0.291 312 G HA3 0.599 4.557 3.960 -0.002 0.000 0.291 312 G C 0.208 175.112 174.900 0.007 0.000 1.323 312 G CA 0.230 45.311 45.100 -0.031 0.000 1.055 312 G HN 1.620 nan 8.290 nan 0.000 0.520 313 S N -1.318 114.372 115.700 -0.017 0.000 2.558 313 S HA 0.293 4.762 4.470 -0.002 0.000 0.288 313 S C 1.680 176.153 174.600 -0.211 0.000 1.318 313 S CA 0.417 58.562 58.200 -0.091 0.000 1.056 313 S CB 0.682 63.860 63.200 -0.037 0.000 0.853 313 S HN 1.057 nan 8.310 nan 0.000 0.505 314 G N 3.928 112.397 108.800 -0.550 0.000 2.650 314 G HA2 -0.008 3.951 3.960 -0.002 0.000 0.214 314 G HA3 -0.008 3.951 3.960 -0.002 0.000 0.214 314 G C 1.102 175.701 174.900 -0.501 0.000 1.136 314 G CA 0.136 44.785 45.100 -0.752 0.000 0.789 314 G HN 0.667 nan 8.290 nan 0.000 0.536 315 M N -0.446 118.967 119.600 -0.312 0.000 2.465 315 M HA 0.376 4.855 4.480 -0.002 0.000 0.249 315 M C 1.193 177.493 176.300 0.000 0.000 1.130 315 M CA 0.144 55.434 55.300 -0.016 0.000 1.067 315 M CB -0.299 32.382 32.600 0.134 0.000 1.394 315 M HN 0.199 nan 8.290 nan 0.000 0.483 316 L N -0.785 120.425 121.223 -0.021 0.000 4.560 316 L HA -0.228 4.111 4.340 -0.002 0.000 0.415 316 L C 0.597 177.472 176.870 0.009 0.000 1.123 316 L CA 0.255 55.101 54.840 0.010 0.000 0.991 316 L CB -2.080 40.006 42.059 0.046 0.000 2.127 316 L HN 0.328 nan 8.230 nan 0.000 0.765 317 A N 0.513 123.344 122.820 0.018 0.000 2.929 317 A HA 0.629 4.947 4.320 -0.002 0.000 0.279 317 A C 1.125 178.721 177.584 0.019 0.000 1.418 317 A CA 0.925 52.978 52.037 0.026 0.000 1.035 317 A CB -0.256 18.775 19.000 0.053 0.000 1.047 317 A HN 1.117 nan 8.150 nan 0.000 0.609 318 G N -1.457 107.343 108.800 -0.001 0.000 2.298 318 G HA2 0.540 4.498 3.960 -0.002 0.000 0.309 318 G HA3 0.540 4.498 3.960 -0.002 0.000 0.309 318 G C 0.473 175.373 174.900 -0.000 0.000 1.279 318 G CA 0.079 45.176 45.100 -0.005 0.000 1.042 318 G HN 2.445 nan 8.290 nan 0.000 0.480 319 G N -1.352 107.463 108.800 0.025 0.000 2.787 319 G HA2 0.101 4.059 3.960 -0.002 0.000 0.685 319 G HA3 0.101 4.059 3.960 -0.002 0.000 0.685 319 G C 0.709 175.651 174.900 0.069 0.000 1.437 319 G CA 0.710 45.839 45.100 0.048 0.000 0.872 319 G HN 1.396 nan 8.290 nan 0.000 0.566 320 R N 0.034 120.598 120.500 0.107 0.000 2.159 320 R HA -0.115 4.224 4.340 -0.002 0.000 0.237 320 R C 2.678 179.056 176.300 0.129 0.000 1.131 320 R CA 1.537 57.709 56.100 0.119 0.000 0.982 320 R CB -0.264 30.091 30.300 0.092 0.000 0.868 320 R HN 0.589 nan 8.270 nan 0.000 0.453 321 I N 1.459 122.132 120.570 0.173 0.000 2.185 321 I HA -0.297 3.871 4.170 -0.002 0.000 0.246 321 I C 1.823 178.005 176.117 0.108 0.000 1.088 321 I CA 1.589 63.007 61.300 0.195 0.000 1.347 321 I CB -0.140 37.915 38.000 0.092 0.000 1.041 321 I HN 0.122 nan 8.210 nan 0.000 0.415 322 L N -0.598 120.618 121.223 -0.010 0.000 2.012 322 L HA -0.249 4.090 4.340 -0.002 0.000 0.210 322 L C 2.425 179.209 176.870 -0.142 0.000 1.073 322 L CA 1.358 56.130 54.840 -0.112 0.000 0.748 322 L CB -1.253 40.661 42.059 -0.241 0.000 0.891 322 L HN 0.359 nan 8.230 nan 0.000 0.431 323 H N -1.294 117.759 119.070 -0.027 0.000 2.559 323 H HA -0.039 4.516 4.556 -0.002 0.000 0.273 323 H C 1.368 176.646 175.328 -0.083 0.000 1.000 323 H CA 0.706 56.713 56.048 -0.068 0.000 1.195 323 H CB -0.040 29.661 29.762 -0.102 0.000 1.368 323 H HN 0.376 nan 8.280 nan 0.000 0.592 324 H N -0.066 119.071 119.070 0.112 0.000 2.555 324 H HA 0.050 4.604 4.556 -0.002 0.000 0.283 324 H C 0.920 176.276 175.328 0.047 0.000 1.037 324 H CA 0.214 56.309 56.048 0.079 0.000 1.169 324 H CB 0.479 30.270 29.762 0.047 0.000 1.375 324 H HN 0.240 nan 8.280 nan 0.000 0.582 325 L N -0.969 120.325 121.223 0.119 0.000 2.758 325 L HA 0.105 4.444 4.340 -0.002 0.000 0.234 325 L C 2.184 179.069 176.870 0.026 0.000 1.049 325 L CA 0.422 55.297 54.840 0.059 0.000 0.908 325 L CB -0.072 42.002 42.059 0.025 0.000 1.362 325 L HN -0.104 nan 8.230 nan 0.000 0.499 326 K N -0.629 119.771 120.400 0.001 0.000 2.442 326 K HA -0.103 4.215 4.320 -0.002 0.000 0.198 326 K C 0.665 177.136 176.600 -0.215 0.000 1.042 326 K CA 1.158 57.387 56.287 -0.095 0.000 0.958 326 K CB 0.114 32.569 32.500 -0.075 0.000 0.766 326 K HN 0.344 nan 8.250 nan 0.000 0.474 327 H N -2.363 116.729 119.070 0.037 0.000 3.007 327 H HA 0.220 4.774 4.556 -0.002 0.000 0.251 327 H C 0.461 175.810 175.328 0.036 0.000 1.188 327 H CA 0.613 56.676 56.048 0.024 0.000 1.017 327 H CB 1.723 31.487 29.762 0.003 0.000 1.805 327 H HN 0.362 nan 8.280 nan 0.000 0.659 328 G N 0.078 108.959 108.800 0.135 0.000 3.858 328 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.164 328 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.164 328 G C 0.984 175.919 174.900 0.058 0.000 1.116 328 G CA -0.091 45.070 45.100 0.101 0.000 0.830 328 G HN 0.158 nan 8.290 nan 0.000 0.666 329 L N 3.027 124.277 121.223 0.044 0.000 2.450 329 L HA 0.272 4.611 4.340 -0.002 0.000 0.224 329 L C 1.281 178.154 176.870 0.004 0.000 1.149 329 L CA 1.397 56.245 54.840 0.014 0.000 0.816 329 L CB -0.417 41.645 42.059 0.005 0.000 0.932 329 L HN 0.232 nan 8.230 nan 0.000 0.449 330 S N 0.080 115.787 115.700 0.012 0.000 2.404 330 S HA 0.595 5.064 4.470 -0.002 0.000 0.309 330 S C -0.615 173.991 174.600 0.010 0.000 1.076 330 S CA -0.683 57.521 58.200 0.007 0.000 1.095 330 S CB 1.086 64.290 63.200 0.007 0.000 0.972 330 S HN 0.325 nan 8.310 nan 0.000 0.484 331 D N 2.596 122.997 120.400 0.003 0.000 2.367 331 D HA 0.114 4.753 4.640 -0.002 0.000 0.176 331 D C -2.684 173.614 176.300 -0.003 0.000 0.959 331 D CA -0.784 53.218 54.000 0.003 0.000 0.952 331 D CB 1.176 41.981 40.800 0.008 0.000 4.022 331 D HN 0.267 nan 8.370 nan 0.000 0.476 332 P HA -0.030 nan 4.420 nan 0.000 0.234 332 P C 0.671 177.969 177.300 -0.004 0.000 1.167 332 P CA 0.506 63.603 63.100 -0.006 0.000 0.763 332 P CB 0.258 31.956 31.700 -0.004 0.000 0.835 333 R N -1.144 119.354 120.500 -0.004 0.000 2.300 333 R HA 0.145 4.484 4.340 -0.002 0.000 0.199 333 R C 0.175 176.471 176.300 -0.006 0.000 0.920 333 R CA -0.093 56.004 56.100 -0.004 0.000 1.046 333 R CB -0.205 30.092 30.300 -0.004 0.000 0.984 333 R HN 0.217 nan 8.270 nan 0.000 0.493 334 N N 0.641 119.337 118.700 -0.007 0.000 2.492 334 N HA 0.471 5.209 4.740 -0.002 0.000 0.289 334 N C -1.129 174.373 175.510 -0.014 0.000 1.133 334 N CA -0.287 52.756 53.050 -0.012 0.000 0.961 334 N CB 1.697 40.178 38.487 -0.011 0.000 1.186 334 N HN 0.076 nan 8.380 nan 0.000 0.493 335 A N 0.885 123.697 122.820 -0.014 0.000 2.422 335 A HA 0.547 4.866 4.320 -0.002 0.000 0.302 335 A C -1.281 176.278 177.584 -0.042 0.000 1.041 335 A CA -0.668 51.373 52.037 0.005 0.000 0.708 335 A CB 0.850 19.929 19.000 0.132 0.000 1.257 335 A HN 0.659 nan 8.150 nan 0.000 0.414 336 L N 3.344 124.492 121.223 -0.126 0.000 2.257 336 L HA 0.647 4.986 4.340 -0.002 0.000 0.290 336 L C -1.332 175.384 176.870 -0.257 0.000 1.044 336 L CA -0.609 54.079 54.840 -0.254 0.000 0.810 336 L CB 1.070 42.890 42.059 -0.398 0.000 1.193 336 L HN 0.448 nan 8.230 nan 0.000 0.425 337 V N 5.613 125.413 119.914 -0.191 0.000 2.313 337 V HA 0.302 4.420 4.120 -0.002 0.000 0.278 337 V C -0.297 175.750 176.094 -0.078 0.000 1.017 337 V CA -0.455 61.809 62.300 -0.060 0.000 0.823 337 V CB 0.912 32.779 31.823 0.074 0.000 1.010 337 V HN 0.452 nan 8.190 nan 0.000 0.443 338 F N 4.318 124.319 119.950 0.085 0.000 2.438 338 F HA 0.341 4.866 4.527 -0.002 0.000 0.356 338 F C 1.096 176.927 175.800 0.052 0.000 1.099 338 F CA -0.329 57.706 58.000 0.059 0.000 1.185 338 F CB 1.567 40.606 39.000 0.066 0.000 1.115 338 F HN 0.394 nan 8.300 nan 0.000 0.526 339 V N 0.304 120.348 119.914 0.217 0.000 3.570 339 V HA 0.537 4.655 4.120 -0.002 0.000 0.257 339 V C 0.718 176.965 176.094 0.255 0.000 1.272 339 V CA 0.549 62.894 62.300 0.076 0.000 1.079 339 V CB 0.012 31.723 31.823 -0.187 0.000 0.829 339 V HN 0.665 nan 8.190 nan 0.000 0.454 340 G N -1.043 107.946 108.800 0.315 0.000 2.453 340 G HA2 0.487 4.446 3.960 -0.002 0.000 0.323 340 G HA3 0.487 4.446 3.960 -0.002 0.000 0.323 340 G C -1.394 173.733 174.900 0.379 0.000 1.198 340 G CA -0.991 44.369 45.100 0.433 0.000 0.959 340 G HN 0.229 nan 8.290 nan 0.000 0.482 341 Y N 1.230 121.723 120.300 0.322 0.000 2.717 341 Y HA 0.112 4.661 4.550 -0.002 0.000 0.330 341 Y C 0.379 176.359 175.900 0.132 0.000 1.217 341 Y CA 0.377 58.620 58.100 0.239 0.000 1.506 341 Y CB 0.649 39.290 38.460 0.302 0.000 1.268 341 Y HN 0.246 nan 8.280 nan 0.000 0.561 342 Q N 8.579 128.192 119.800 -0.312 0.000 2.314 342 Q HA 0.300 4.639 4.340 -0.002 0.000 0.259 342 Q C -2.482 173.449 176.000 -0.114 0.000 0.951 342 Q CA -2.231 53.439 55.803 -0.222 0.000 0.909 342 Q CB 1.329 29.758 28.738 -0.515 0.000 1.236 342 Q HN 0.519 nan 8.270 nan 0.000 0.444 343 P HA -0.012 nan 4.420 nan 0.000 0.276 343 P C -0.395 176.947 177.300 0.070 0.000 1.253 343 P CA -0.338 62.888 63.100 0.209 0.000 0.766 343 P CB 0.587 32.390 31.700 0.173 0.000 0.845 344 Q N 2.654 122.499 119.800 0.075 0.000 2.276 344 Q HA 0.261 4.600 4.340 -0.002 0.000 0.267 344 Q C 0.760 176.775 176.000 0.025 0.000 1.135 344 Q CA 0.344 56.160 55.803 0.022 0.000 0.910 344 Q CB -0.368 28.387 28.738 0.029 0.000 1.271 344 Q HN 0.855 nan 8.270 nan 0.000 0.417 345 G N 1.674 110.480 108.800 0.010 0.000 2.672 345 G HA2 -0.078 3.880 3.960 -0.002 0.000 0.197 345 G HA3 -0.078 3.880 3.960 -0.002 0.000 0.197 345 G C 0.242 175.149 174.900 0.012 0.000 0.995 345 G CA -0.269 44.838 45.100 0.012 0.000 0.754 345 G HN 0.943 nan 8.290 nan 0.000 0.505 346 G N -0.400 108.406 108.800 0.010 0.000 2.557 346 G HA2 0.630 4.589 3.960 -0.002 0.000 0.302 346 G HA3 0.630 4.589 3.960 -0.002 0.000 0.302 346 G C 1.096 175.998 174.900 0.002 0.000 1.311 346 G CA 0.107 45.213 45.100 0.011 0.000 1.030 346 G HN 0.756 nan 8.290 nan 0.000 0.509 347 L N 0.849 122.078 121.223 0.009 0.000 1.924 347 L HA 0.010 4.348 4.340 -0.002 0.000 0.222 347 L C 2.911 179.796 176.870 0.025 0.000 1.081 347 L CA 3.225 58.075 54.840 0.018 0.000 0.780 347 L CB -1.183 40.891 42.059 0.025 0.000 0.891 347 L HN 0.618 nan 8.230 nan 0.000 0.434 348 G N -1.099 107.722 108.800 0.035 0.000 2.596 348 G HA2 -0.388 3.571 3.960 -0.002 0.000 0.223 348 G HA3 -0.388 3.571 3.960 -0.002 0.000 0.223 348 G C 1.588 176.440 174.900 -0.080 0.000 1.120 348 G CA 1.592 46.708 45.100 0.026 0.000 0.752 348 G HN 0.857 nan 8.290 nan 0.000 0.596 349 A N 0.266 123.026 122.820 -0.099 0.000 1.948 349 A HA -0.121 4.198 4.320 -0.002 0.000 0.220 349 A C 2.183 179.745 177.584 -0.037 0.000 1.177 349 A CA 2.201 54.183 52.037 -0.091 0.000 0.636 349 A CB -0.356 18.612 19.000 -0.054 0.000 0.815 349 A HN 0.546 nan 8.150 nan 0.000 0.449 350 E N -0.632 119.565 120.200 -0.005 0.000 2.216 350 E HA 0.043 4.392 4.350 -0.002 0.000 0.192 350 E C 1.687 178.309 176.600 0.036 0.000 0.973 350 E CA 0.246 56.653 56.400 0.012 0.000 0.851 350 E CB -0.090 29.617 29.700 0.012 0.000 0.804 350 E HN 0.643 nan 8.360 nan 0.000 0.477 351 I N 1.349 121.960 120.570 0.068 0.000 2.657 351 I HA -0.248 3.921 4.170 -0.002 0.000 0.261 351 I C 1.883 178.079 176.117 0.131 0.000 1.212 351 I CA 0.869 62.236 61.300 0.112 0.000 1.453 351 I CB -0.165 37.959 38.000 0.207 0.000 1.092 351 I HN 0.245 nan 8.210 nan 0.000 0.452 352 I N 0.424 121.060 120.570 0.109 0.000 2.852 352 I HA -0.052 4.117 4.170 -0.002 0.000 0.264 352 I C 2.602 178.749 176.117 0.050 0.000 1.179 352 I CA 0.503 61.864 61.300 0.101 0.000 1.480 352 I CB -0.246 37.784 38.000 0.049 0.000 1.111 352 I HN 0.099 nan 8.210 nan 0.000 0.441 353 A N 0.633 123.472 122.820 0.032 0.000 2.172 353 A HA -0.129 4.189 4.320 -0.002 0.000 0.216 353 A C 1.461 179.056 177.584 0.019 0.000 1.154 353 A CA 0.439 52.488 52.037 0.020 0.000 0.701 353 A CB -0.311 18.697 19.000 0.013 0.000 0.789 353 A HN 0.431 nan 8.150 nan 0.000 0.465 354 R N -1.403 119.111 120.500 0.024 0.000 3.336 354 R HA -0.113 4.226 4.340 -0.002 0.000 0.260 354 R C -2.106 174.199 176.300 0.008 0.000 1.032 354 R CA 0.721 56.829 56.100 0.013 0.000 0.693 354 R CB -2.426 27.878 30.300 0.007 0.000 1.134 354 R HN 0.525 nan 8.270 nan 0.000 0.433 355 P HA 0.089 nan 4.420 nan 0.000 0.280 355 P C -1.627 175.675 177.300 0.002 0.000 1.278 355 P CA -0.720 62.383 63.100 0.006 0.000 0.787 355 P CB 0.230 31.934 31.700 0.007 0.000 1.163 356 P HA -0.106 nan 4.420 nan 0.000 0.210 356 P C 0.560 177.858 177.300 -0.003 0.000 1.189 356 P CA 1.686 64.785 63.100 -0.002 0.000 0.920 356 P CB -0.205 31.494 31.700 -0.002 0.000 0.782 357 A N -1.429 121.390 122.820 -0.003 0.000 2.486 357 A HA 0.640 4.959 4.320 -0.002 0.000 0.277 357 A C -0.708 176.874 177.584 -0.003 0.000 1.282 357 A CA -0.504 51.531 52.037 -0.005 0.000 0.784 357 A CB 1.270 20.266 19.000 -0.007 0.000 1.350 357 A HN -0.046 nan 8.150 nan 0.000 0.454 358 V N -0.369 119.542 119.914 -0.006 0.000 3.113 358 V HA 0.746 4.865 4.120 -0.002 0.000 0.316 358 V C -0.136 175.951 176.094 -0.012 0.000 1.125 358 V CA -0.781 61.516 62.300 -0.005 0.000 1.026 358 V CB 1.889 33.711 31.823 -0.002 0.000 1.080 358 V HN 0.971 nan 8.190 nan 0.000 0.444 359 R N 1.336 121.828 120.500 -0.014 0.000 2.628 359 R HA 0.751 5.090 4.340 -0.002 0.000 0.288 359 R C -2.062 174.220 176.300 -0.030 0.000 0.980 359 R CA -0.591 55.497 56.100 -0.020 0.000 0.891 359 R CB 1.834 32.126 30.300 -0.015 0.000 1.188 359 R HN 0.660 nan 8.270 nan 0.000 0.450 360 I N 6.271 126.818 120.570 -0.038 0.000 2.476 360 I HA 0.261 4.430 4.170 -0.002 0.000 0.281 360 I C 0.070 176.165 176.117 -0.037 0.000 1.040 360 I CA -0.279 60.986 61.300 -0.057 0.000 1.094 360 I CB 1.011 38.961 38.000 -0.084 0.000 1.219 360 I HN 1.045 nan 8.210 nan 0.000 0.450 361 L N 5.594 126.798 121.223 -0.030 0.000 4.977 361 L HA -0.339 4.000 4.340 -0.002 0.000 0.398 361 L C 1.227 178.092 176.870 -0.008 0.000 0.818 361 L CA 1.281 56.116 54.840 -0.009 0.000 2.090 361 L CB -1.813 40.254 42.059 0.013 0.000 1.320 361 L HN 0.937 nan 8.230 nan 0.000 0.615 362 G N -1.203 107.589 108.800 -0.013 0.000 3.967 362 G HA2 -0.108 3.850 3.960 -0.002 0.000 0.210 362 G HA3 -0.108 3.850 3.960 -0.002 0.000 0.210 362 G C -0.018 174.872 174.900 -0.016 0.000 1.127 362 G CA 0.097 45.190 45.100 -0.012 0.000 0.887 362 G HN 0.272 nan 8.290 nan 0.000 0.367 363 E N 1.390 121.579 120.200 -0.020 0.000 2.452 363 E HA 0.346 4.694 4.350 -0.002 0.000 0.261 363 E C 0.028 176.611 176.600 -0.028 0.000 0.987 363 E CA -0.041 56.344 56.400 -0.026 0.000 0.926 363 E CB 0.562 30.239 29.700 -0.038 0.000 0.934 363 E HN 0.291 nan 8.360 nan 0.000 0.452 364 E N 2.449 122.635 120.200 -0.024 0.000 2.374 364 E HA 0.334 4.683 4.350 -0.002 0.000 0.260 364 E C -1.553 175.032 176.600 -0.026 0.000 1.101 364 E CA -0.476 55.911 56.400 -0.021 0.000 0.907 364 E CB 1.543 31.234 29.700 -0.015 0.000 1.014 364 E HN 0.211 nan 8.360 nan 0.000 0.427 365 V N 4.268 124.169 119.914 -0.022 0.000 2.752 365 V HA 0.438 4.556 4.120 -0.002 0.000 0.302 365 V C -2.740 173.345 176.094 -0.014 0.000 1.133 365 V CA -2.156 60.130 62.300 -0.022 0.000 0.919 365 V CB 2.298 34.104 31.823 -0.028 0.000 1.026 365 V HN 0.636 nan 8.190 nan 0.000 0.429 366 P HA 0.282 nan 4.420 nan 0.000 0.276 366 P C -0.463 176.831 177.300 -0.010 0.000 1.253 366 P CA -0.274 62.820 63.100 -0.009 0.000 0.766 366 P CB 0.322 32.018 31.700 -0.007 0.000 0.845 367 L N 2.436 123.652 121.223 -0.012 0.000 2.391 367 L HA 0.291 4.629 4.340 -0.002 0.000 0.249 367 L C 1.055 177.911 176.870 -0.022 0.000 1.308 367 L CA 0.440 55.269 54.840 -0.019 0.000 1.209 367 L CB -0.760 41.288 42.059 -0.019 0.000 1.401 367 L HN 0.137 nan 8.230 nan 0.000 0.416 368 R N 1.051 121.540 120.500 -0.018 0.000 2.323 368 R HA 0.353 4.692 4.340 -0.002 0.000 0.198 368 R C 0.729 177.016 176.300 -0.023 0.000 0.988 368 R CA 0.579 56.669 56.100 -0.016 0.000 1.041 368 R CB -0.338 29.957 30.300 -0.008 0.000 0.926 368 R HN 0.692 nan 8.270 nan 0.000 0.476 369 A N 0.957 123.756 122.820 -0.034 0.000 2.269 369 A HA 0.485 4.804 4.320 -0.002 0.000 0.319 369 A C 0.058 177.593 177.584 -0.083 0.000 1.110 369 A CA -0.465 51.544 52.037 -0.048 0.000 0.847 369 A CB 0.811 19.781 19.000 -0.050 0.000 1.161 369 A HN 0.224 nan 8.150 nan 0.000 0.497 370 S N -0.103 115.532 115.700 -0.108 0.000 2.541 370 S HA 0.596 5.065 4.470 -0.002 0.000 0.283 370 S C -0.361 173.976 174.600 -0.438 0.000 1.196 370 S CA -0.617 57.449 58.200 -0.223 0.000 1.062 370 S CB 1.133 64.237 63.200 -0.161 0.000 1.009 370 S HN 0.672 nan 8.310 nan 0.000 0.502 371 V N 4.186 123.808 119.914 -0.487 0.000 2.539 371 V HA 0.489 4.608 4.120 -0.002 0.000 0.292 371 V C -0.253 175.456 176.094 -0.642 0.000 1.045 371 V CA -0.471 61.553 62.300 -0.460 0.000 0.945 371 V CB 0.947 32.666 31.823 -0.175 0.000 0.993 371 V HN 0.922 nan 8.190 nan 0.000 0.464 372 H N 1.435 120.481 119.070 -0.039 0.000 2.895 372 H HA 0.519 5.074 4.556 -0.002 0.000 0.373 372 H C -0.807 174.618 175.328 0.161 0.000 1.174 372 H CA -0.579 55.499 56.048 0.050 0.000 1.144 372 H CB 2.409 32.187 29.762 0.027 0.000 1.793 372 H HN 0.527 nan 8.280 nan 0.000 0.551 373 T N 2.929 117.673 114.554 0.317 0.000 2.807 373 T HA 0.465 4.813 4.350 -0.002 0.000 0.279 373 T C 0.502 175.374 174.700 0.286 0.000 0.993 373 T CA -0.669 61.616 62.100 0.309 0.000 0.970 373 T CB 0.627 69.633 68.868 0.230 0.000 0.950 373 T HN 0.309 nan 8.240 nan 0.000 0.441 374 L N 2.730 124.140 121.223 0.312 0.000 2.574 374 L HA 0.349 4.688 4.340 -0.002 0.000 0.258 374 L C 1.541 178.635 176.870 0.375 0.000 1.520 374 L CA -0.683 54.367 54.840 0.350 0.000 0.775 374 L CB 0.733 43.043 42.059 0.419 0.000 1.028 374 L HN 0.898 nan 8.230 nan 0.000 0.516 375 G N -0.223 108.761 108.800 0.306 0.000 2.916 375 G HA2 -0.057 3.901 3.960 -0.002 0.000 0.205 375 G HA3 -0.057 3.901 3.960 -0.002 0.000 0.205 375 G C 1.235 176.268 174.900 0.221 0.000 1.163 375 G CA 0.717 46.001 45.100 0.307 0.000 0.821 375 G HN 0.630 nan 8.290 nan 0.000 0.515 376 G N 0.176 109.120 108.800 0.240 0.000 2.511 376 G HA2 0.013 3.972 3.960 -0.002 0.000 0.217 376 G HA3 0.013 3.972 3.960 -0.002 0.000 0.217 376 G C 0.986 175.910 174.900 0.040 0.000 1.133 376 G CA -0.089 45.077 45.100 0.110 0.000 0.792 376 G HN 0.366 nan 8.290 nan 0.000 0.539 377 F N 1.606 121.611 119.950 0.093 0.000 2.731 377 F HA 0.320 4.846 4.527 -0.002 0.000 0.304 377 F C 1.666 177.458 175.800 -0.013 0.000 1.133 377 F CA -0.656 57.403 58.000 0.099 0.000 1.380 377 F CB -0.001 39.056 39.000 0.095 0.000 1.079 377 F HN -0.037 nan 8.300 nan 0.000 0.550 378 S N 0.457 116.132 115.700 -0.041 0.000 2.546 378 S HA 0.151 4.619 4.470 -0.002 0.000 0.290 378 S C 1.504 176.004 174.600 -0.166 0.000 1.290 378 S CA 0.196 58.277 58.200 -0.199 0.000 1.069 378 S CB 0.656 63.314 63.200 -0.903 0.000 0.846 378 S HN 0.471 nan 8.310 nan 0.000 0.495 379 G N 4.053 112.846 108.800 -0.013 0.000 3.088 379 G HA2 0.116 4.074 3.960 -0.002 0.000 0.212 379 G HA3 0.116 4.074 3.960 -0.002 0.000 0.212 379 G C 0.409 175.296 174.900 -0.023 0.000 1.173 379 G CA -0.060 45.020 45.100 -0.033 0.000 0.779 379 G HN 0.779 nan 8.290 nan 0.000 0.540 380 H N -0.181 118.892 119.070 0.006 0.000 2.573 380 H HA 0.582 5.136 4.556 -0.002 0.000 0.351 380 H C 0.035 175.352 175.328 -0.019 0.000 1.163 380 H CA -0.523 55.536 56.048 0.018 0.000 1.205 380 H CB 1.994 31.869 29.762 0.189 0.000 1.605 380 H HN 0.128 nan 8.280 nan 0.000 0.525 381 A N 1.760 124.661 122.820 0.135 0.000 2.462 381 A HA 0.437 4.756 4.320 -0.002 0.000 0.243 381 A C 0.881 178.554 177.584 0.148 0.000 1.076 381 A CA 0.332 52.417 52.037 0.079 0.000 0.773 381 A CB 0.023 19.006 19.000 -0.028 0.000 1.010 381 A HN 0.738 nan 8.150 nan 0.000 0.493 382 G N -0.606 108.267 108.800 0.121 0.000 2.547 382 G HA2 0.361 4.320 3.960 -0.002 0.000 0.291 382 G HA3 0.361 4.320 3.960 -0.002 0.000 0.291 382 G C 0.668 175.564 174.900 -0.006 0.000 1.211 382 G CA 0.227 45.277 45.100 -0.084 0.000 0.950 382 G HN 0.923 nan 8.290 nan 0.000 0.504 383 Q N -0.421 119.367 119.800 -0.020 0.000 2.133 383 Q HA -0.245 4.094 4.340 -0.002 0.000 0.208 383 Q C 1.988 178.006 176.000 0.030 0.000 0.991 383 Q CA 2.530 58.347 55.803 0.023 0.000 0.867 383 Q CB -0.170 28.579 28.738 0.020 0.000 0.911 383 Q HN 0.729 nan 8.270 nan 0.000 0.417 384 D N -0.170 120.242 120.400 0.020 0.000 2.117 384 D HA -0.211 4.427 4.640 -0.002 0.000 0.197 384 D C 1.413 177.743 176.300 0.050 0.000 0.987 384 D CA 1.642 55.662 54.000 0.034 0.000 0.829 384 D CB -0.565 40.253 40.800 0.031 0.000 0.961 384 D HN 0.485 nan 8.370 nan 0.000 0.460 385 E N -0.331 119.901 120.200 0.053 0.000 2.107 385 E HA -0.058 4.291 4.350 -0.002 0.000 0.191 385 E C 2.105 178.763 176.600 0.097 0.000 0.982 385 E CA 0.158 56.599 56.400 0.068 0.000 0.809 385 E CB -0.042 29.688 29.700 0.050 0.000 0.756 385 E HN 0.077 nan 8.360 nan 0.000 0.459 386 L N 0.648 121.917 121.223 0.078 0.000 2.012 386 L HA -0.201 4.137 4.340 -0.002 0.000 0.210 386 L C 2.144 179.102 176.870 0.147 0.000 1.073 386 L CA 1.569 56.471 54.840 0.103 0.000 0.748 386 L CB -0.560 41.541 42.059 0.069 0.000 0.891 386 L HN 0.184 nan 8.230 nan 0.000 0.431 387 L N -1.021 120.260 121.223 0.098 0.000 2.046 387 L HA -0.243 4.096 4.340 -0.002 0.000 0.208 387 L C 2.202 179.121 176.870 0.081 0.000 1.077 387 L CA 1.208 56.095 54.840 0.079 0.000 0.747 387 L CB -0.704 41.386 42.059 0.052 0.000 0.896 387 L HN 0.286 nan 8.230 nan 0.000 0.432 388 D N -0.985 119.470 120.400 0.092 0.000 2.144 388 D HA -0.227 4.411 4.640 -0.002 0.000 0.199 388 D C 1.772 178.135 176.300 0.104 0.000 0.984 388 D CA 1.072 55.121 54.000 0.081 0.000 0.834 388 D CB -0.186 40.663 40.800 0.082 0.000 0.955 388 D HN 0.390 nan 8.370 nan 0.000 0.465 389 W N 0.840 122.115 121.300 -0.041 0.000 2.381 389 W HA -0.078 4.582 4.660 -0.001 0.000 0.301 389 W C 1.543 178.014 176.519 -0.081 0.000 1.205 389 W CA 0.602 57.904 57.345 -0.072 0.000 1.285 389 W CB -0.036 29.371 29.460 -0.088 0.000 1.133 389 W HN -0.119 nan 8.180 nan 0.000 0.521 390 L N 0.967 122.243 121.223 0.089 0.000 2.599 390 L HA 0.028 4.366 4.340 -0.002 0.000 0.230 390 L C 1.260 178.078 176.870 -0.086 0.000 1.141 390 L CA 0.913 55.728 54.840 -0.042 0.000 0.877 390 L CB -2.057 40.045 42.059 0.071 0.000 1.009 390 L HN -0.003 nan 8.230 nan 0.000 0.447 391 Q N 1.270 121.030 119.800 -0.067 0.000 2.275 391 Q HA 0.121 4.460 4.340 -0.002 0.000 0.293 391 Q C 1.114 177.060 176.000 -0.091 0.000 1.129 391 Q CA 1.241 57.008 55.803 -0.059 0.000 0.971 391 Q CB 0.174 28.888 28.738 -0.041 0.000 1.098 391 Q HN 0.567 nan 8.270 nan 0.000 0.386 392 G N 4.262 113.020 108.800 -0.070 0.000 2.218 392 G HA2 -0.174 3.784 3.960 -0.002 0.000 0.216 392 G HA3 -0.174 3.784 3.960 -0.002 0.000 0.216 392 G C -0.352 174.501 174.900 -0.078 0.000 0.994 392 G CA -0.084 44.973 45.100 -0.073 0.000 0.637 392 G HN 0.580 nan 8.290 nan 0.000 0.505 393 E N 1.864 122.009 120.200 -0.092 0.000 2.166 393 E HA 0.243 4.592 4.350 -0.002 0.000 0.279 393 E C -1.053 175.518 176.600 -0.050 0.000 1.095 393 E CA -1.355 54.994 56.400 -0.085 0.000 0.888 393 E CB 1.656 31.293 29.700 -0.106 0.000 1.041 393 E HN 0.312 nan 8.360 nan 0.000 0.414 394 P HA -0.171 nan 4.420 nan 0.000 0.215 394 P C 0.376 177.664 177.300 -0.020 0.000 1.153 394 P CA 1.234 64.317 63.100 -0.027 0.000 0.853 394 P CB 0.575 32.260 31.700 -0.025 0.000 0.788 395 R N -0.374 120.114 120.500 -0.021 0.000 2.532 395 R HA 0.533 4.871 4.340 -0.002 0.000 0.297 395 R C -1.767 174.528 176.300 -0.009 0.000 0.984 395 R CA -0.555 55.537 56.100 -0.013 0.000 0.884 395 R CB 1.795 32.087 30.300 -0.012 0.000 1.182 395 R HN -0.236 nan 8.270 nan 0.000 0.442 396 V N 4.708 124.622 119.914 0.000 0.000 2.709 396 V HA 0.464 4.583 4.120 -0.002 0.000 0.308 396 V C -0.870 175.234 176.094 0.016 0.000 1.062 396 V CA -0.847 61.461 62.300 0.014 0.000 0.901 396 V CB 2.179 34.017 31.823 0.025 0.000 1.003 396 V HN 0.526 nan 8.190 nan 0.000 0.425 397 V N 5.602 125.527 119.914 0.019 0.000 2.378 397 V HA 0.418 4.537 4.120 -0.002 0.000 0.288 397 V C -0.331 175.777 176.094 0.024 0.000 1.016 397 V CA -0.580 61.724 62.300 0.008 0.000 0.840 397 V CB 1.473 33.284 31.823 -0.020 0.000 0.994 397 V HN 0.569 nan 8.190 nan 0.000 0.431 398 L N 5.496 126.737 121.223 0.031 0.000 2.397 398 L HA 0.617 4.956 4.340 -0.002 0.000 0.271 398 L C 0.077 176.980 176.870 0.055 0.000 1.148 398 L CA 0.619 55.488 54.840 0.049 0.000 0.825 398 L CB 1.416 43.502 42.059 0.044 0.000 1.117 398 L HN 0.499 nan 8.230 nan 0.000 0.456 399 V N 2.503 122.472 119.914 0.092 0.000 3.253 399 V HA 0.415 4.534 4.120 -0.002 0.000 0.300 399 V C -0.978 175.252 176.094 0.228 0.000 1.398 399 V CA -0.695 61.686 62.300 0.136 0.000 1.067 399 V CB 1.840 33.733 31.823 0.116 0.000 1.102 399 V HN 0.875 nan 8.190 nan 0.000 0.455 400 H N 1.116 120.255 119.070 0.114 0.000 2.983 400 H HA -0.049 4.506 4.556 -0.002 0.000 0.327 400 H C -0.395 174.934 175.328 0.002 0.000 1.031 400 H CA 1.625 57.727 56.048 0.089 0.000 1.053 400 H CB -0.940 28.911 29.762 0.148 0.000 1.609 400 H HN 1.920 nan 8.280 nan 0.000 0.369 401 G N 3.081 111.838 108.800 -0.072 0.000 2.339 401 G HA2 0.213 4.172 3.960 -0.002 0.000 0.302 401 G HA3 0.213 4.172 3.960 -0.002 0.000 0.302 401 G C -1.184 173.665 174.900 -0.084 0.000 1.425 401 G CA -0.467 44.576 45.100 -0.095 0.000 0.899 401 G HN 0.357 nan 8.290 nan 0.000 0.619 402 E N 0.056 120.193 120.200 -0.106 0.000 2.373 402 E HA 0.200 4.548 4.350 -0.002 0.000 0.267 402 E C 1.085 177.662 176.600 -0.038 0.000 1.032 402 E CA 0.084 56.442 56.400 -0.070 0.000 0.889 402 E CB 2.037 31.689 29.700 -0.080 0.000 0.984 402 E HN 0.702 nan 8.360 nan 0.000 0.425 403 E N 2.550 122.739 120.200 -0.019 0.000 2.147 403 E HA -0.314 4.035 4.350 -0.002 0.000 0.199 403 E C 0.922 177.518 176.600 -0.006 0.000 1.005 403 E CA 1.851 58.248 56.400 -0.005 0.000 0.810 403 E CB 0.227 29.927 29.700 -0.000 0.000 0.736 403 E HN 0.487 nan 8.360 nan 0.000 0.460 404 E N 0.818 121.011 120.200 -0.012 0.000 2.007 404 E HA -0.183 4.165 4.350 -0.002 0.000 0.194 404 E C 2.022 178.617 176.600 -0.009 0.000 0.999 404 E CA 1.669 58.064 56.400 -0.007 0.000 0.811 404 E CB -0.149 29.547 29.700 -0.007 0.000 0.762 404 E HN 0.212 nan 8.360 nan 0.000 0.450 405 K N 0.120 120.506 120.400 -0.023 0.000 2.074 405 K HA -0.179 4.140 4.320 -0.002 0.000 0.209 405 K C 2.036 178.631 176.600 -0.010 0.000 1.048 405 K CA 1.088 57.360 56.287 -0.026 0.000 0.926 405 K CB -0.286 32.172 32.500 -0.069 0.000 0.713 405 K HN -0.008 nan 8.250 nan 0.000 0.444 406 L N 0.645 121.864 121.223 -0.007 0.000 2.017 406 L HA -0.176 4.163 4.340 -0.002 0.000 0.208 406 L C 2.177 179.056 176.870 0.014 0.000 1.073 406 L CA 1.342 56.188 54.840 0.010 0.000 0.745 406 L CB -0.675 41.394 42.059 0.017 0.000 0.894 406 L HN 0.099 nan 8.230 nan 0.000 0.432 407 L N -0.727 120.501 121.223 0.009 0.000 2.042 407 L HA -0.202 4.137 4.340 -0.002 0.000 0.210 407 L C 2.575 179.452 176.870 0.012 0.000 1.076 407 L CA 2.015 56.861 54.840 0.011 0.000 0.749 407 L CB -1.239 40.825 42.059 0.008 0.000 0.893 407 L HN 0.270 nan 8.230 nan 0.000 0.432 408 A N -0.971 121.856 122.820 0.011 0.000 1.865 408 A HA -0.209 4.110 4.320 -0.002 0.000 0.217 408 A C 2.219 179.814 177.584 0.019 0.000 1.191 408 A CA 1.841 53.887 52.037 0.015 0.000 0.623 408 A CB -0.982 18.027 19.000 0.015 0.000 0.826 408 A HN 0.366 nan 8.150 nan 0.000 0.444 409 L N 0.054 121.290 121.223 0.021 0.000 2.083 409 L HA -0.101 4.238 4.340 -0.002 0.000 0.209 409 L C 2.345 179.231 176.870 0.027 0.000 1.083 409 L CA 2.359 57.216 54.840 0.028 0.000 0.752 409 L CB -1.700 40.380 42.059 0.034 0.000 0.899 409 L HN 0.413 nan 8.230 nan 0.000 0.433 410 G N -0.218 108.596 108.800 0.024 0.000 2.450 410 G HA2 -0.324 3.634 3.960 -0.002 0.000 0.220 410 G HA3 -0.324 3.634 3.960 -0.002 0.000 0.220 410 G C 1.767 176.677 174.900 0.017 0.000 1.130 410 G CA 0.899 46.012 45.100 0.021 0.000 0.760 410 G HN 0.410 nan 8.290 nan 0.000 0.557 411 K N 0.020 120.430 120.400 0.016 0.000 2.007 411 K HA 0.107 4.426 4.320 -0.002 0.000 0.206 411 K C 2.511 179.119 176.600 0.014 0.000 1.047 411 K CA 0.592 56.887 56.287 0.014 0.000 0.937 411 K CB -0.302 32.206 32.500 0.013 0.000 0.718 411 K HN 0.299 nan 8.250 nan 0.000 0.438 412 L N 1.238 122.471 121.223 0.017 0.000 2.129 412 L HA -0.236 4.103 4.340 -0.002 0.000 0.212 412 L C 2.347 179.227 176.870 0.017 0.000 1.087 412 L CA 1.064 55.915 54.840 0.018 0.000 0.757 412 L CB -0.403 41.669 42.059 0.022 0.000 0.896 412 L HN 0.275 nan 8.230 nan 0.000 0.434 413 L N -0.894 120.340 121.223 0.018 0.000 2.068 413 L HA -0.085 4.253 4.340 -0.002 0.000 0.204 413 L C 2.880 179.756 176.870 0.010 0.000 1.076 413 L CA 0.945 55.794 54.840 0.016 0.000 0.753 413 L CB -0.642 41.429 42.059 0.021 0.000 0.910 413 L HN 0.195 nan 8.230 nan 0.000 0.439 414 A N 0.266 123.092 122.820 0.010 0.000 1.902 414 A HA -0.112 4.207 4.320 -0.002 0.000 0.217 414 A C 1.907 179.495 177.584 0.005 0.000 1.181 414 A CA 1.077 53.118 52.037 0.006 0.000 0.623 414 A CB -0.730 18.274 19.000 0.007 0.000 0.818 414 A HN 0.387 nan 8.150 nan 0.000 0.443 415 L N -1.226 120.001 121.223 0.007 0.000 2.798 415 L HA 0.145 4.483 4.340 -0.002 0.000 0.254 415 L C 1.807 178.681 176.870 0.006 0.000 1.176 415 L CA 0.399 55.243 54.840 0.007 0.000 0.991 415 L CB -0.433 41.631 42.059 0.008 0.000 1.225 415 L HN 0.403 nan 8.230 nan 0.000 0.420 416 R N -0.421 120.082 120.500 0.004 0.000 2.526 416 R HA 0.178 4.517 4.340 -0.002 0.000 0.346 416 R C 0.980 177.279 176.300 -0.001 0.000 0.926 416 R CA 0.559 56.660 56.100 0.002 0.000 1.147 416 R CB 0.943 31.246 30.300 0.004 0.000 1.629 416 R HN 0.243 nan 8.270 nan 0.000 0.516 417 G N 1.352 110.151 108.800 -0.001 0.000 2.131 417 G HA2 -0.255 3.703 3.960 -0.002 0.000 0.223 417 G HA3 -0.255 3.703 3.960 -0.002 0.000 0.223 417 G C -0.380 174.516 174.900 -0.006 0.000 0.990 417 G CA -0.129 44.968 45.100 -0.004 0.000 0.671 417 G HN 0.329 nan 8.290 nan 0.000 0.521 418 Q N 0.345 120.143 119.800 -0.004 0.000 2.307 418 Q HA 0.403 4.742 4.340 -0.002 0.000 0.262 418 Q C -0.121 175.878 176.000 -0.003 0.000 0.961 418 Q CA -0.588 55.211 55.803 -0.006 0.000 0.882 418 Q CB 1.519 30.255 28.738 -0.005 0.000 1.264 418 Q HN 0.497 nan 8.270 nan 0.000 0.446 419 E N 1.683 121.881 120.200 -0.005 0.000 2.417 419 E HA 0.132 4.480 4.350 -0.002 0.000 0.261 419 E C -0.850 175.750 176.600 0.000 0.000 1.000 419 E CA 0.162 56.560 56.400 -0.003 0.000 0.919 419 E CB 1.151 30.848 29.700 -0.006 0.000 0.955 419 E HN 0.194 nan 8.360 nan 0.000 0.455 420 V N 2.264 122.180 119.914 0.003 0.000 3.160 420 V HA 0.704 4.822 4.120 -0.002 0.000 0.310 420 V C -1.328 174.770 176.094 0.007 0.000 1.181 420 V CA -0.087 62.218 62.300 0.008 0.000 1.047 420 V CB 2.476 34.307 31.823 0.013 0.000 1.068 420 V HN 0.933 nan 8.190 nan 0.000 0.441 421 S N 2.798 118.504 115.700 0.009 0.000 2.710 421 S HA 0.479 4.948 4.470 -0.002 0.000 0.274 421 S C -2.043 172.564 174.600 0.011 0.000 1.029 421 S CA -0.780 57.425 58.200 0.008 0.000 0.864 421 S CB 0.689 63.890 63.200 0.002 0.000 1.103 421 S HN 0.787 nan 8.310 nan 0.000 0.460 422 L N 2.054 123.285 121.223 0.013 0.000 2.275 422 L HA 0.775 5.114 4.340 -0.002 0.000 0.288 422 L C 0.957 177.836 176.870 0.014 0.000 1.046 422 L CA 0.006 54.857 54.840 0.019 0.000 0.805 422 L CB 0.918 42.991 42.059 0.023 0.000 1.193 422 L HN 1.088 nan 8.230 nan 0.000 0.426 423 A N 3.375 126.203 122.820 0.013 0.000 2.498 423 A HA 0.438 4.757 4.320 -0.002 0.000 0.239 423 A C 0.212 177.810 177.584 0.023 0.000 1.068 423 A CA -0.064 51.972 52.037 -0.002 0.000 0.766 423 A CB -0.018 18.971 19.000 -0.019 0.000 1.003 423 A HN 0.649 nan 8.150 nan 0.000 0.497 424 R N 1.558 122.061 120.500 0.006 0.000 2.445 424 R HA 0.444 4.782 4.340 -0.002 0.000 0.308 424 R C -0.737 175.586 176.300 0.039 0.000 0.961 424 R CA -0.895 55.230 56.100 0.042 0.000 0.862 424 R CB 0.342 30.656 30.300 0.024 0.000 1.144 424 R HN 0.626 nan 8.270 nan 0.000 0.447 425 F N 4.174 124.115 119.950 -0.015 0.000 2.612 425 F HA 0.187 4.713 4.527 -0.002 0.000 0.389 425 F C 1.496 177.249 175.800 -0.078 0.000 1.055 425 F CA 2.194 60.181 58.000 -0.021 0.000 1.232 425 F CB 0.513 39.536 39.000 0.039 0.000 1.044 425 F HN 0.877 nan 8.300 nan 0.000 0.560 426 G N 3.754 111.980 108.800 -0.957 0.000 2.189 426 G HA2 -0.355 3.603 3.960 -0.002 0.000 0.267 426 G HA3 -0.355 3.603 3.960 -0.002 0.000 0.267 426 G C 0.199 174.862 174.900 -0.395 0.000 0.975 426 G CA 0.339 44.983 45.100 -0.759 0.000 0.644 426 G HN 0.794 nan 8.290 nan 0.000 0.537 427 E N 0.822 120.853 120.200 -0.283 0.000 2.115 427 E HA 0.515 4.864 4.350 -0.002 0.000 0.282 427 E C 0.918 177.405 176.600 -0.188 0.000 0.987 427 E CA -0.118 56.184 56.400 -0.163 0.000 0.797 427 E CB 0.374 30.025 29.700 -0.081 0.000 1.086 427 E HN 0.368 nan 8.360 nan 0.000 0.397 428 G N 2.771 111.479 108.800 -0.154 0.000 2.378 428 G HA2 0.312 4.271 3.960 -0.002 0.000 0.255 428 G HA3 0.312 4.271 3.960 -0.002 0.000 0.255 428 G C -0.430 174.415 174.900 -0.091 0.000 1.270 428 G CA -0.408 44.613 45.100 -0.133 0.000 0.876 428 G HN 0.386 nan 8.290 nan 0.000 0.521 429 V N 6.036 125.896 119.914 -0.090 0.000 2.384 429 V HA 0.340 4.458 4.120 -0.002 0.000 0.287 429 V C -1.607 174.456 176.094 -0.051 0.000 1.020 429 V CA -1.539 60.723 62.300 -0.064 0.000 0.850 429 V CB 1.790 33.573 31.823 -0.066 0.000 0.987 429 V HN 0.707 nan 8.190 nan 0.000 0.436 430 P HA 0.220 nan 4.420 nan 0.000 0.271 430 P C -0.466 176.820 177.300 -0.023 0.000 1.233 430 P CA 0.103 63.187 63.100 -0.028 0.000 0.789 430 P CB 1.368 33.055 31.700 -0.021 0.000 0.951 431 V N 0.000 119.904 119.914 -0.017 0.000 2.409 431 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 431 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 431 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556