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 2d69_1_E DATA FIRST_RESID 9 DATA SEQUENCE EWYLDFVDLN YEPGRDELIV EYYFEPNGVS PEEAAGRIAS ESSIGTWTTL DATA SEQUENCE WKLPEMAKRS MAKVFYLEKH GEGYIAKIAY PLTLFEEGSL VQLFSAVAGN DATA SEQUENCE VFGMKALKNL RLLDFHPPYE YLRHFKGPQF GVQGIREFMG VKDRPLTATV DATA SEQUENCE PKPKMGWSVE EYAEIAYELW SGGIDLLKDD ENFTSFPFNR FEERVRKLYR DATA SEQUENCE VRDRVEAETG ETKEYLINIT GPVNIMEKRA EMVANEGGQY VMIDIVVAGW DATA SEQUENCE SALQYMREVT EDLGLAIHAH RAMHAAFTRN PRHGITMLAL AKAARMIGVD DATA SEQUENCE QIHTGTAVGK MAGNYEEIKR INDFLLSKWE HIRPVFPVAS GGLHPGLMPE DATA SEQUENCE LIRLFGKDLV IQAGGGVMGH PDGPRAGAKA LRDAIDAAIE GVDLDEKAKS DATA SEQUENCE SPELKKSLRE 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.412 176.600 -0.314 0.000 1.382 9 E CA 0.000 56.125 56.400 -0.458 0.000 0.976 9 E CB 0.000 28.849 29.700 -1.418 0.000 0.812 10 W N 3.908 124.949 121.300 -0.432 0.000 2.736 10 W HA 0.282 4.944 4.660 0.002 0.000 0.355 10 W C 0.095 176.449 176.519 -0.275 0.000 1.102 10 W CA -0.500 56.581 57.345 -0.440 0.000 1.164 10 W CB 1.043 30.352 29.460 -0.251 0.000 1.422 10 W HN 0.786 nan 8.180 nan 0.000 0.572 11 Y N 1.336 121.364 120.300 -0.454 0.000 2.333 11 Y HA -0.230 4.322 4.550 0.003 0.000 0.290 11 Y C 2.231 178.188 175.900 0.095 0.000 1.144 11 Y CA 0.624 58.584 58.100 -0.232 0.000 1.228 11 Y CB 0.040 38.162 38.460 -0.563 0.000 0.985 11 Y HN 0.146 nan 8.280 nan 0.000 0.542 12 L N 0.051 121.486 121.223 0.353 0.000 2.478 12 L HA -0.128 4.214 4.340 0.002 0.000 0.223 12 L C 1.156 178.099 176.870 0.122 0.000 1.140 12 L CA 1.312 56.299 54.840 0.245 0.000 0.842 12 L CB -0.824 41.389 42.059 0.256 0.000 0.953 12 L HN 0.312 nan 8.230 nan 0.000 0.452 13 D N -0.296 120.137 120.400 0.056 0.000 2.264 13 D HA -0.152 4.490 4.640 0.002 0.000 0.208 13 D C 1.635 177.753 176.300 -0.303 0.000 0.966 13 D CA 1.070 54.971 54.000 -0.164 0.000 0.864 13 D CB 0.015 40.610 40.800 -0.341 0.000 0.933 13 D HN 0.302 nan 8.370 nan 0.000 0.499 14 F N 0.177 120.076 119.950 -0.085 0.000 2.732 14 F HA 0.107 4.635 4.527 0.003 0.000 0.303 14 F C 0.557 176.311 175.800 -0.077 0.000 1.110 14 F CA -0.120 57.818 58.000 -0.103 0.000 1.355 14 F CB 0.536 39.467 39.000 -0.115 0.000 1.081 14 F HN -0.329 nan 8.300 nan 0.000 0.565 15 V N 0.452 120.419 119.914 0.088 0.000 2.448 15 V HA 0.385 4.506 4.120 0.002 0.000 0.295 15 V C -1.015 175.110 176.094 0.052 0.000 1.025 15 V CA -0.613 61.731 62.300 0.072 0.000 0.859 15 V CB 1.854 33.723 31.823 0.076 0.000 0.988 15 V HN -0.024 nan 8.190 nan 0.000 0.431 16 D N 4.018 124.465 120.400 0.079 0.000 2.445 16 D HA 0.240 4.882 4.640 0.002 0.000 0.236 16 D C 0.374 176.786 176.300 0.187 0.000 1.315 16 D CA -0.370 53.693 54.000 0.105 0.000 0.924 16 D CB 1.117 41.960 40.800 0.072 0.000 1.447 16 D HN 0.386 nan 8.370 nan 0.000 0.532 17 L N 2.023 123.335 121.223 0.148 0.000 2.675 17 L HA 0.139 4.480 4.340 0.002 0.000 0.238 17 L C 0.983 177.963 176.870 0.184 0.000 1.155 17 L CA 0.485 55.423 54.840 0.164 0.000 0.881 17 L CB -0.333 41.776 42.059 0.083 0.000 1.008 17 L HN 0.212 nan 8.230 nan 0.000 0.443 18 N N -1.789 117.026 118.700 0.191 0.000 2.220 18 N HA 0.003 4.745 4.740 0.002 0.000 0.195 18 N C 0.262 175.891 175.510 0.199 0.000 1.123 18 N CA -0.333 52.816 53.050 0.166 0.000 0.874 18 N CB 0.429 38.985 38.487 0.115 0.000 0.995 18 N HN 0.186 nan 8.380 nan 0.000 0.498 19 Y N 2.276 122.648 120.300 0.121 0.000 2.597 19 Y HA 0.006 4.558 4.550 0.002 0.000 0.336 19 Y C -0.163 175.762 175.900 0.042 0.000 1.216 19 Y CA 0.293 58.442 58.100 0.081 0.000 1.463 19 Y CB 0.487 39.006 38.460 0.099 0.000 1.303 19 Y HN -0.003 nan 8.280 nan 0.000 0.576 20 E N 7.615 127.399 120.200 -0.693 0.000 2.186 20 E HA 0.269 4.620 4.350 0.002 0.000 0.255 20 E C -2.512 173.549 176.600 -0.897 0.000 0.881 20 E CA -2.323 53.730 56.400 -0.578 0.000 0.752 20 E CB 0.947 30.457 29.700 -0.316 0.000 1.176 20 E HN 0.440 nan 8.360 nan 0.000 0.421 21 P HA 0.038 nan 4.420 nan 0.000 0.268 21 P C 0.248 177.369 177.300 -0.299 0.000 1.204 21 P CA -0.165 62.616 63.100 -0.531 0.000 0.768 21 P CB 0.727 32.114 31.700 -0.522 0.000 0.842 22 G N 2.520 111.225 108.800 -0.159 0.000 2.636 22 G HA2 0.068 4.030 3.960 0.002 0.000 0.246 22 G HA3 0.068 4.030 3.960 0.002 0.000 0.246 22 G C 0.982 175.878 174.900 -0.007 0.000 1.216 22 G CA -0.666 44.397 45.100 -0.062 0.000 0.854 22 G HN 0.615 nan 8.290 nan 0.000 0.572 23 R N -0.621 119.888 120.500 0.016 0.000 2.280 23 R HA -0.015 4.326 4.340 0.002 0.000 0.207 23 R C 0.371 176.735 176.300 0.107 0.000 1.043 23 R CA 1.349 57.481 56.100 0.054 0.000 1.006 23 R CB 0.021 30.349 30.300 0.046 0.000 0.885 23 R HN 0.469 nan 8.270 nan 0.000 0.467 24 D N 0.618 121.085 120.400 0.113 0.000 2.427 24 D HA 0.065 4.707 4.640 0.002 0.000 0.224 24 D C -0.607 175.805 176.300 0.186 0.000 1.157 24 D CA -0.244 53.850 54.000 0.156 0.000 0.828 24 D CB 0.073 40.958 40.800 0.142 0.000 0.974 24 D HN 0.345 nan 8.370 nan 0.000 0.498 25 E N 0.127 120.435 120.200 0.180 0.000 2.212 25 E HA 0.449 4.800 4.350 0.002 0.000 0.268 25 E C -0.906 175.848 176.600 0.256 0.000 0.902 25 E CA -1.116 55.421 56.400 0.229 0.000 0.779 25 E CB 2.809 32.633 29.700 0.205 0.000 1.172 25 E HN 0.071 nan 8.360 nan 0.000 0.409 26 L N 3.419 124.841 121.223 0.331 0.000 2.326 26 L HA 0.454 4.796 4.340 0.002 0.000 0.278 26 L C -1.137 175.978 176.870 0.408 0.000 1.092 26 L CA -0.289 54.728 54.840 0.295 0.000 0.810 26 L CB 0.470 42.632 42.059 0.172 0.000 1.153 26 L HN 0.490 nan 8.230 nan 0.000 0.439 27 I N 5.240 126.029 120.570 0.364 0.000 2.404 27 I HA 0.410 4.582 4.170 0.002 0.000 0.293 27 I C -0.765 175.544 176.117 0.320 0.000 0.992 27 I CA -0.747 60.823 61.300 0.449 0.000 1.149 27 I CB 1.861 40.146 38.000 0.475 0.000 1.315 27 I HN 0.244 nan 8.210 nan 0.000 0.446 28 V N 5.355 125.453 119.914 0.307 0.000 2.495 28 V HA 0.375 4.496 4.120 0.002 0.000 0.298 28 V C -0.297 175.753 176.094 -0.074 0.000 1.031 28 V CA -0.755 61.539 62.300 -0.011 0.000 0.871 28 V CB 1.827 33.516 31.823 -0.223 0.000 0.988 28 V HN 0.675 nan 8.190 nan 0.000 0.432 29 E N 3.364 123.433 120.200 -0.219 0.000 2.151 29 E HA 0.565 4.917 4.350 0.002 0.000 0.275 29 E C -1.787 174.669 176.600 -0.241 0.000 0.936 29 E CA -0.481 55.835 56.400 -0.141 0.000 0.777 29 E CB 1.895 31.551 29.700 -0.073 0.000 1.108 29 E HN 0.624 nan 8.360 nan 0.000 0.401 30 Y N 1.119 121.478 120.300 0.098 0.000 2.446 30 Y HA 0.253 4.804 4.550 0.002 0.000 0.345 30 Y C -0.694 175.352 175.900 0.242 0.000 0.984 30 Y CA -1.077 57.112 58.100 0.149 0.000 1.058 30 Y CB 1.319 39.854 38.460 0.124 0.000 1.220 30 Y HN 0.524 nan 8.280 nan 0.000 0.455 31 Y N 5.180 125.664 120.300 0.306 0.000 2.323 31 Y HA 0.630 5.182 4.550 0.003 0.000 0.331 31 Y C -1.149 174.976 175.900 0.374 0.000 1.092 31 Y CA -1.330 56.914 58.100 0.240 0.000 1.150 31 Y CB 0.652 39.200 38.460 0.145 0.000 1.200 31 Y HN 0.485 nan 8.280 nan 0.000 0.472 32 F N 1.827 121.453 119.950 -0.540 0.000 2.668 32 F HA 0.665 5.193 4.527 0.003 0.000 0.309 32 F C -2.013 173.535 175.800 -0.419 0.000 1.117 32 F CA -1.180 56.603 58.000 -0.362 0.000 0.951 32 F CB 1.514 40.427 39.000 -0.144 0.000 1.323 32 F HN 0.423 nan 8.300 nan 0.000 0.451 33 E N 3.111 123.340 120.200 0.048 0.000 2.218 33 E HA 0.384 4.735 4.350 0.002 0.000 0.263 33 E C -2.813 173.924 176.600 0.229 0.000 0.879 33 E CA -2.276 54.165 56.400 0.068 0.000 0.762 33 E CB 2.416 32.154 29.700 0.064 0.000 1.166 33 E HN 0.350 nan 8.360 nan 0.000 0.415 34 P HA 0.008 nan 4.420 nan 0.000 0.274 34 P C -0.925 176.424 177.300 0.083 0.000 1.231 34 P CA -0.288 62.907 63.100 0.159 0.000 0.790 34 P CB 0.705 32.483 31.700 0.130 0.000 0.951 35 N N 1.246 119.968 118.700 0.037 0.000 2.696 35 N HA 0.302 5.043 4.740 0.002 0.000 0.246 35 N C 0.595 176.112 175.510 0.011 0.000 1.057 35 N CA -0.223 52.841 53.050 0.023 0.000 0.867 35 N CB -0.025 38.468 38.487 0.011 0.000 1.141 35 N HN 0.678 nan 8.380 nan 0.000 0.517 36 G N 1.502 110.315 108.800 0.022 0.000 2.148 36 G HA2 -0.258 3.703 3.960 0.002 0.000 0.254 36 G HA3 -0.258 3.703 3.960 0.002 0.000 0.254 36 G C -0.009 174.905 174.900 0.023 0.000 0.981 36 G CA 0.799 45.912 45.100 0.022 0.000 0.670 36 G HN 0.902 nan 8.290 nan 0.000 0.528 37 V N -2.396 117.526 119.914 0.014 0.000 3.102 37 V HA 0.943 5.065 4.120 0.002 0.000 0.312 37 V C 0.567 176.665 176.094 0.008 0.000 1.135 37 V CA -0.104 62.205 62.300 0.015 0.000 1.022 37 V CB 1.590 33.404 31.823 -0.014 0.000 1.056 37 V HN 1.546 nan 8.190 nan 0.000 0.436 38 S N 1.261 116.967 115.700 0.011 0.000 2.572 38 S HA 0.330 4.801 4.470 0.002 0.000 0.279 38 S C -1.573 172.990 174.600 -0.062 0.000 1.341 38 S CA -0.123 58.066 58.200 -0.018 0.000 1.043 38 S CB 0.631 63.832 63.200 0.002 0.000 0.887 38 S HN 0.753 nan 8.310 nan 0.000 0.516 39 P HA -0.162 nan 4.420 nan 0.000 0.216 39 P C 1.280 178.541 177.300 -0.064 0.000 1.154 39 P CA 1.520 64.455 63.100 -0.275 0.000 0.865 39 P CB 0.060 31.204 31.700 -0.926 0.000 0.789 40 E N -0.778 119.379 120.200 -0.073 0.000 2.047 40 E HA -0.218 4.133 4.350 0.002 0.000 0.191 40 E C 2.132 178.714 176.600 -0.031 0.000 0.987 40 E CA 0.925 57.312 56.400 -0.022 0.000 0.799 40 E CB -0.271 29.433 29.700 0.007 0.000 0.752 40 E HN 0.351 nan 8.360 nan 0.000 0.449 41 E N 0.269 120.459 120.200 -0.017 0.000 2.077 41 E HA -0.219 4.132 4.350 0.002 0.000 0.193 41 E C 1.973 178.419 176.600 -0.257 0.000 0.989 41 E CA 1.005 57.381 56.400 -0.039 0.000 0.800 41 E CB -0.064 29.670 29.700 0.057 0.000 0.746 41 E HN 0.233 nan 8.360 nan 0.000 0.452 42 A N 1.187 123.840 122.820 -0.278 0.000 1.902 42 A HA -0.133 4.189 4.320 0.002 0.000 0.217 42 A C 2.405 179.536 177.584 -0.754 0.000 1.181 42 A CA 1.928 53.667 52.037 -0.496 0.000 0.623 42 A CB -0.836 17.945 19.000 -0.364 0.000 0.818 42 A HN 0.425 nan 8.150 nan 0.000 0.443 43 A N -0.595 121.833 122.820 -0.652 0.000 1.930 43 A HA 0.149 4.470 4.320 0.002 0.000 0.217 43 A C 2.396 179.758 177.584 -0.371 0.000 1.175 43 A CA 1.872 53.578 52.037 -0.552 0.000 0.627 43 A CB -1.324 17.579 19.000 -0.162 0.000 0.815 43 A HN 0.723 nan 8.150 nan 0.000 0.443 44 G N -0.547 108.096 108.800 -0.262 0.000 2.418 44 G HA2 -0.215 3.747 3.960 0.002 0.000 0.217 44 G HA3 -0.215 3.747 3.960 0.002 0.000 0.217 44 G C 1.753 176.424 174.900 -0.383 0.000 1.158 44 G CA 0.879 45.880 45.100 -0.164 0.000 0.771 44 G HN 0.557 nan 8.290 nan 0.000 0.545 45 R N -0.066 120.047 120.500 -0.645 0.000 2.091 45 R HA -0.014 4.328 4.340 0.002 0.000 0.238 45 R C 2.588 178.493 176.300 -0.657 0.000 1.136 45 R CA 1.325 56.878 56.100 -0.912 0.000 0.959 45 R CB -0.423 29.234 30.300 -1.071 0.000 0.856 45 R HN 0.402 nan 8.270 nan 0.000 0.437 46 I N 0.410 120.603 120.570 -0.629 0.000 2.163 46 I HA -0.296 3.876 4.170 0.002 0.000 0.243 46 I C 2.615 178.462 176.117 -0.450 0.000 1.085 46 I CA 1.425 62.365 61.300 -0.600 0.000 1.347 46 I CB -0.499 37.047 38.000 -0.758 0.000 1.044 46 I HN 0.222 nan 8.210 nan 0.000 0.408 47 A N -0.142 122.434 122.820 -0.407 0.000 1.902 47 A HA -0.236 4.085 4.320 0.002 0.000 0.217 47 A C 2.506 179.757 177.584 -0.554 0.000 1.181 47 A CA 2.221 54.061 52.037 -0.328 0.000 0.623 47 A CB -0.795 18.086 19.000 -0.198 0.000 0.818 47 A HN 0.425 nan 8.150 nan 0.000 0.443 48 S N -0.587 114.533 115.700 -0.967 0.000 2.348 48 S HA -0.212 4.260 4.470 0.002 0.000 0.221 48 S C 2.049 176.347 174.600 -0.503 0.000 1.033 48 S CA 1.866 59.323 58.200 -1.237 0.000 1.010 48 S CB -0.338 62.244 63.200 -1.030 0.000 0.891 48 S HN 0.570 nan 8.310 nan 0.000 0.442 49 E N 1.188 121.159 120.200 -0.381 0.000 2.153 49 E HA -0.062 4.290 4.350 0.002 0.000 0.194 49 E C 1.904 178.414 176.600 -0.149 0.000 0.988 49 E CA 1.477 57.734 56.400 -0.238 0.000 0.811 49 E CB -0.305 29.232 29.700 -0.271 0.000 0.746 49 E HN 0.650 nan 8.360 nan 0.000 0.466 50 S N -1.376 114.253 115.700 -0.119 0.000 2.605 50 S HA 0.133 4.605 4.470 0.002 0.000 0.217 50 S C 1.118 175.817 174.600 0.165 0.000 0.958 50 S CA 0.321 58.545 58.200 0.042 0.000 0.919 50 S CB 0.053 63.340 63.200 0.144 0.000 0.780 50 S HN 0.260 nan 8.310 nan 0.000 0.507 51 S N 2.166 117.901 115.700 0.058 0.000 3.697 51 S HA 0.363 4.834 4.470 0.002 0.000 0.184 51 S C 1.235 175.880 174.600 0.075 0.000 1.045 51 S CA -0.019 58.238 58.200 0.095 0.000 1.330 51 S CB -0.814 62.464 63.200 0.130 0.000 1.393 51 S HN 0.552 nan 8.310 nan 0.000 0.855 52 I N -0.229 120.424 120.570 0.139 0.000 3.860 52 I HA 0.597 4.769 4.170 0.002 0.000 0.319 52 I C 1.169 177.370 176.117 0.141 0.000 1.279 52 I CA 0.208 61.608 61.300 0.167 0.000 1.220 52 I CB -0.402 37.756 38.000 0.263 0.000 1.027 52 I HN 0.901 nan 8.210 nan 0.000 0.428 53 G N 2.131 110.956 108.800 0.041 0.000 2.562 53 G HA2 -0.265 3.697 3.960 0.002 0.000 0.250 53 G HA3 -0.265 3.697 3.960 0.002 0.000 0.250 53 G C 0.052 174.953 174.900 0.001 0.000 1.269 53 G CA 0.159 45.244 45.100 -0.025 0.000 0.919 53 G HN 0.717 nan 8.290 nan 0.000 0.574 54 T N -1.316 113.218 114.554 -0.033 0.000 2.934 54 T HA 0.696 5.047 4.350 0.002 0.000 0.283 54 T C 0.039 174.789 174.700 0.084 0.000 1.005 54 T CA 0.606 62.646 62.100 -0.100 0.000 1.041 54 T CB 2.034 70.801 68.868 -0.168 0.000 1.042 54 T HN 1.987 nan 8.240 nan 0.000 0.505 55 W N -0.463 120.856 121.300 0.031 0.000 3.518 55 W HA 0.794 5.456 4.660 0.003 0.000 0.331 55 W C -1.251 175.288 176.519 0.033 0.000 1.205 55 W CA -0.980 56.388 57.345 0.039 0.000 0.956 55 W CB -0.137 29.351 29.460 0.047 0.000 1.645 55 W HN 0.980 nan 8.180 nan 0.000 0.615 56 T N 1.646 116.560 114.554 0.600 0.000 0.734 56 T HA 0.313 4.665 4.350 0.002 0.000 0.757 56 T C -0.903 173.932 174.700 0.224 0.000 0.988 56 T CA 0.586 62.905 62.100 0.365 0.000 3.992 56 T CB -1.396 67.603 68.868 0.220 0.000 2.261 56 T HN 1.486 nan 8.240 nan 0.000 0.400 57 T N 3.776 118.441 114.554 0.185 0.000 3.310 57 T HA 0.223 4.574 4.350 0.002 0.000 0.420 57 T C -0.059 174.730 174.700 0.148 0.000 1.653 57 T CA -0.737 61.464 62.100 0.168 0.000 1.062 57 T CB 0.048 69.035 68.868 0.199 0.000 1.637 57 T HN 0.432 nan 8.240 nan 0.000 0.466 58 L N 2.358 123.670 121.223 0.147 0.000 2.552 58 L HA 0.172 4.514 4.340 0.002 0.000 0.227 58 L C 1.319 178.259 176.870 0.116 0.000 1.146 58 L CA 0.592 55.496 54.840 0.107 0.000 0.858 58 L CB -0.529 41.590 42.059 0.101 0.000 0.969 58 L HN 0.613 nan 8.230 nan 0.000 0.451 59 W N 2.270 123.561 121.300 -0.016 0.000 2.218 59 W HA 0.037 4.699 4.660 0.002 0.000 0.326 59 W C 0.661 177.139 176.519 -0.068 0.000 1.276 59 W CA -0.533 56.793 57.345 -0.031 0.000 1.210 59 W CB 0.717 30.166 29.460 -0.017 0.000 1.143 59 W HN -0.098 nan 8.180 nan 0.000 0.563 60 K N 5.536 125.389 120.400 -0.912 0.000 2.437 60 K HA -0.124 4.198 4.320 0.002 0.000 0.277 60 K C -0.050 176.382 176.600 -0.281 0.000 1.073 60 K CA -0.005 55.925 56.287 -0.595 0.000 1.105 60 K CB 0.075 32.159 32.500 -0.694 0.000 0.881 60 K HN 0.516 nan 8.250 nan 0.000 0.475 61 L N 7.582 128.645 121.223 -0.265 0.000 2.410 61 L HA 0.215 4.556 4.340 0.002 0.000 0.273 61 L C -1.961 174.800 176.870 -0.182 0.000 1.152 61 L CA -1.132 53.545 54.840 -0.272 0.000 0.855 61 L CB 0.455 42.166 42.059 -0.579 0.000 1.129 61 L HN 0.487 nan 8.230 nan 0.000 0.463 62 P HA 0.041 nan 4.420 nan 0.000 0.269 62 P C -0.230 177.028 177.300 -0.069 0.000 1.209 62 P CA -0.070 63.007 63.100 -0.038 0.000 0.776 62 P CB 0.868 32.580 31.700 0.020 0.000 0.876 63 E N 0.869 121.038 120.200 -0.052 0.000 2.268 63 E HA -0.084 4.268 4.350 0.002 0.000 0.195 63 E C 1.483 178.064 176.600 -0.032 0.000 0.995 63 E CA 1.037 57.404 56.400 -0.055 0.000 0.836 63 E CB -0.146 29.527 29.700 -0.044 0.000 0.763 63 E HN 0.363 nan 8.360 nan 0.000 0.491 64 M N -0.640 118.954 119.600 -0.010 0.000 2.556 64 M HA 0.134 4.616 4.480 0.002 0.000 0.245 64 M C 1.937 178.250 176.300 0.023 0.000 1.128 64 M CA 0.305 55.610 55.300 0.008 0.000 1.069 64 M CB -0.144 32.467 32.600 0.017 0.000 1.469 64 M HN 0.085 nan 8.290 nan 0.000 0.494 65 A N 0.659 123.493 122.820 0.023 0.000 1.898 65 A HA -0.169 4.152 4.320 0.002 0.000 0.216 65 A C 2.294 179.946 177.584 0.115 0.000 1.181 65 A CA 1.674 53.760 52.037 0.080 0.000 0.620 65 A CB -0.483 18.570 19.000 0.088 0.000 0.819 65 A HN 0.464 nan 8.150 nan 0.000 0.442 66 K N -0.329 120.109 120.400 0.064 0.000 2.147 66 K HA -0.105 4.217 4.320 0.002 0.000 0.205 66 K C 1.896 178.519 176.600 0.039 0.000 1.049 66 K CA 1.296 57.628 56.287 0.076 0.000 0.936 66 K CB -0.127 32.391 32.500 0.030 0.000 0.722 66 K HN 0.399 nan 8.250 nan 0.000 0.446 67 R N -0.379 120.138 120.500 0.030 0.000 2.313 67 R HA 0.081 4.422 4.340 0.002 0.000 0.199 67 R C 1.006 177.322 176.300 0.027 0.000 0.958 67 R CA 0.467 56.583 56.100 0.026 0.000 1.047 67 R CB 0.361 30.676 30.300 0.026 0.000 0.955 67 R HN 0.037 nan 8.270 nan 0.000 0.481 68 S N 0.010 115.731 115.700 0.036 0.000 2.559 68 S HA 0.235 4.706 4.470 0.002 0.000 0.226 68 S C 0.306 174.933 174.600 0.046 0.000 1.000 68 S CA -0.242 57.975 58.200 0.029 0.000 0.948 68 S CB 0.408 63.627 63.200 0.033 0.000 0.870 68 S HN 0.157 nan 8.310 nan 0.000 0.497 69 M N 2.378 122.004 119.600 0.042 0.000 2.238 69 M HA 0.290 4.771 4.480 0.002 0.000 0.350 69 M C 0.479 176.782 176.300 0.005 0.000 1.321 69 M CA -0.200 55.135 55.300 0.058 0.000 1.097 69 M CB 0.428 32.953 32.600 -0.125 0.000 1.713 69 M HN 0.181 nan 8.290 nan 0.000 0.455 70 A N 4.604 127.450 122.820 0.042 0.000 2.366 70 A HA 0.511 4.832 4.320 0.002 0.000 0.249 70 A C -0.228 177.315 177.584 -0.067 0.000 1.084 70 A CA -0.363 51.555 52.037 -0.198 0.000 0.794 70 A CB 0.519 19.184 19.000 -0.559 0.000 1.034 70 A HN 0.717 nan 8.150 nan 0.000 0.491 71 K N 1.344 121.658 120.400 -0.145 0.000 2.601 71 K HA 0.329 4.650 4.320 0.002 0.000 0.249 71 K C -1.419 175.241 176.600 0.099 0.000 0.966 71 K CA -0.601 55.646 56.287 -0.066 0.000 0.827 71 K CB 1.718 34.026 32.500 -0.319 0.000 1.178 71 K HN 0.370 nan 8.250 nan 0.000 0.437 72 V N 4.984 124.956 119.914 0.096 0.000 2.425 72 V HA 0.004 4.125 4.120 0.002 0.000 0.276 72 V C 0.996 177.215 176.094 0.208 0.000 1.017 72 V CA 0.255 62.625 62.300 0.117 0.000 1.062 72 V CB -1.102 30.756 31.823 0.059 0.000 0.997 72 V HN 0.749 nan 8.190 nan 0.000 0.476 73 F N 3.563 123.634 119.950 0.202 0.000 2.704 73 F HA 0.479 5.008 4.527 0.003 0.000 0.304 73 F C 0.180 176.144 175.800 0.273 0.000 1.094 73 F CA -0.681 57.468 58.000 0.247 0.000 1.275 73 F CB 0.030 39.227 39.000 0.328 0.000 1.073 73 F HN 0.353 nan 8.300 nan 0.000 0.586 74 Y N 1.620 121.663 120.300 -0.427 0.000 2.470 74 Y HA 0.651 5.202 4.550 0.002 0.000 0.341 74 Y C -2.173 173.658 175.900 -0.115 0.000 1.021 74 Y CA -1.777 56.175 58.100 -0.246 0.000 1.025 74 Y CB 1.863 40.081 38.460 -0.403 0.000 1.266 74 Y HN 0.020 nan 8.280 nan 0.000 0.448 75 L N 6.286 127.365 121.223 -0.239 0.000 2.562 75 L HA 0.564 4.905 4.340 0.002 0.000 0.266 75 L C -1.928 174.818 176.870 -0.206 0.000 0.949 75 L CA -0.299 54.497 54.840 -0.074 0.000 0.879 75 L CB 1.894 43.962 42.059 0.016 0.000 1.278 75 L HN 0.750 nan 8.230 nan 0.000 0.404 76 E N 3.217 123.381 120.200 -0.060 0.000 2.343 76 E HA 0.312 4.663 4.350 0.002 0.000 0.278 76 E C -1.197 175.489 176.600 0.143 0.000 0.910 76 E CA -1.311 55.086 56.400 -0.005 0.000 0.757 76 E CB 2.150 31.777 29.700 -0.121 0.000 1.218 76 E HN 0.219 nan 8.360 nan 0.000 0.435 77 K N 2.024 122.479 120.400 0.092 0.000 2.578 77 K HA -0.102 4.220 4.320 0.002 0.000 0.279 77 K C -0.706 175.854 176.600 -0.067 0.000 0.983 77 K CA 1.018 57.177 56.287 -0.213 0.000 1.078 77 K CB -0.150 32.269 32.500 -0.135 0.000 0.852 77 K HN 0.538 nan 8.250 nan 0.000 0.490 78 H N 2.198 121.107 119.070 -0.268 0.000 3.287 78 H HA 0.273 4.831 4.556 0.003 0.000 0.330 78 H C 0.571 175.883 175.328 -0.027 0.000 1.064 78 H CA 0.531 56.539 56.048 -0.067 0.000 1.544 78 H CB 0.432 30.236 29.762 0.071 0.000 1.918 78 H HN 0.775 nan 8.280 nan 0.000 0.477 79 G N 4.357 112.952 108.800 -0.343 0.000 2.591 79 G HA2 -0.352 3.609 3.960 0.002 0.000 0.298 79 G HA3 -0.352 3.609 3.960 0.002 0.000 0.298 79 G C 0.654 175.488 174.900 -0.111 0.000 1.195 79 G CA 0.640 45.613 45.100 -0.212 0.000 0.989 79 G HN 0.641 nan 8.290 nan 0.000 0.551 80 E N 1.746 121.943 120.200 -0.005 0.000 2.445 80 E HA 0.392 4.743 4.350 0.002 0.000 0.189 80 E C 1.172 177.747 176.600 -0.041 0.000 1.069 80 E CA 0.410 56.807 56.400 -0.004 0.000 0.871 80 E CB 0.263 29.995 29.700 0.053 0.000 0.991 80 E HN 0.747 nan 8.360 nan 0.000 0.481 81 G N -0.206 108.518 108.800 -0.126 0.000 3.100 81 G HA2 0.417 4.378 3.960 0.002 0.000 0.174 81 G HA3 0.417 4.378 3.960 0.002 0.000 0.174 81 G C -1.517 172.827 174.900 -0.927 0.000 1.136 81 G CA -0.519 44.305 45.100 -0.460 0.000 0.881 81 G HN 0.073 nan 8.290 nan 0.000 0.616 82 Y N -0.980 118.951 120.300 -0.616 0.000 2.544 82 Y HA 0.610 5.163 4.550 0.004 0.000 0.342 82 Y C -0.689 174.962 175.900 -0.415 0.000 1.062 82 Y CA -0.979 56.788 58.100 -0.554 0.000 1.023 82 Y CB 2.322 40.169 38.460 -1.022 0.000 1.308 82 Y HN 0.202 nan 8.280 nan 0.000 0.457 83 I N 2.296 122.910 120.570 0.073 0.000 2.404 83 I HA 0.678 4.850 4.170 0.002 0.000 0.293 83 I C -0.097 176.212 176.117 0.319 0.000 0.992 83 I CA -0.951 60.463 61.300 0.191 0.000 1.149 83 I CB 1.094 39.190 38.000 0.161 0.000 1.315 83 I HN 0.720 nan 8.210 nan 0.000 0.446 84 A N 7.126 130.179 122.820 0.387 0.000 2.337 84 A HA 0.783 5.104 4.320 0.002 0.000 0.329 84 A C -0.393 177.317 177.584 0.210 0.000 1.146 84 A CA -0.717 51.533 52.037 0.354 0.000 0.800 84 A CB 1.255 20.490 19.000 0.391 0.000 1.220 84 A HN 0.678 nan 8.150 nan 0.000 0.472 85 K N 1.616 122.020 120.400 0.007 0.000 2.270 85 K HA 0.721 5.043 4.320 0.002 0.000 0.255 85 K C -1.372 175.089 176.600 -0.231 0.000 0.936 85 K CA -0.246 55.922 56.287 -0.199 0.000 0.809 85 K CB 2.122 34.279 32.500 -0.573 0.000 1.131 85 K HN 0.611 nan 8.250 nan 0.000 0.427 86 I N 1.662 122.346 120.570 0.189 0.000 2.533 86 I HA 0.395 4.567 4.170 0.002 0.000 0.290 86 I C -0.672 175.729 176.117 0.473 0.000 1.056 86 I CA -1.057 60.419 61.300 0.293 0.000 1.057 86 I CB 2.117 40.259 38.000 0.238 0.000 1.240 86 I HN 0.657 nan 8.210 nan 0.000 0.423 87 A N 5.905 128.962 122.820 0.395 0.000 2.305 87 A HA 0.764 5.086 4.320 0.002 0.000 0.322 87 A C -1.590 176.000 177.584 0.010 0.000 1.187 87 A CA -0.244 51.986 52.037 0.322 0.000 0.825 87 A CB 0.525 19.710 19.000 0.308 0.000 1.164 87 A HN 0.619 nan 8.150 nan 0.000 0.498 88 Y N 3.026 123.481 120.300 0.258 0.000 2.326 88 Y HA 0.413 4.964 4.550 0.002 0.000 0.331 88 Y C -2.128 173.891 175.900 0.198 0.000 0.962 88 Y CA -2.182 56.050 58.100 0.221 0.000 1.167 88 Y CB 2.121 40.802 38.460 0.368 0.000 1.148 88 Y HN 0.530 nan 8.280 nan 0.000 0.463 89 P HA 0.102 nan 4.420 nan 0.000 0.272 89 P C 0.377 177.754 177.300 0.128 0.000 1.223 89 P CA -0.149 63.049 63.100 0.163 0.000 0.784 89 P CB 1.529 33.282 31.700 0.089 0.000 0.923 90 L N 1.270 122.622 121.223 0.215 0.000 2.552 90 L HA -0.062 4.280 4.340 0.002 0.000 0.227 90 L C 2.186 179.152 176.870 0.160 0.000 1.146 90 L CA 1.171 56.198 54.840 0.312 0.000 0.858 90 L CB -1.166 41.121 42.059 0.379 0.000 0.969 90 L HN 0.464 nan 8.230 nan 0.000 0.451 91 T N -2.823 111.768 114.554 0.062 0.000 3.051 91 T HA -0.106 4.245 4.350 0.002 0.000 0.269 91 T C 1.649 176.306 174.700 -0.072 0.000 1.127 91 T CA 0.701 62.815 62.100 0.023 0.000 1.107 91 T CB -0.230 68.653 68.868 0.025 0.000 0.898 91 T HN 0.295 nan 8.240 nan 0.000 0.517 92 L N -0.839 120.208 121.223 -0.293 0.000 2.492 92 L HA 0.317 4.659 4.340 0.002 0.000 0.223 92 L C -0.142 176.452 176.870 -0.461 0.000 1.132 92 L CA 0.195 54.737 54.840 -0.496 0.000 0.850 92 L CB -0.031 41.508 42.059 -0.867 0.000 0.966 92 L HN 0.210 nan 8.230 nan 0.000 0.454 93 F N -0.774 119.273 119.950 0.161 0.000 2.508 93 F HA 0.301 4.830 4.527 0.002 0.000 0.325 93 F C 0.455 176.367 175.800 0.186 0.000 1.090 93 F CA -1.785 56.333 58.000 0.196 0.000 0.945 93 F CB 1.088 40.267 39.000 0.299 0.000 1.156 93 F HN -0.211 nan 8.300 nan 0.000 0.463 94 E N 2.626 123.048 120.200 0.370 0.000 2.052 94 E HA 0.128 4.480 4.350 0.002 0.000 0.283 94 E C -0.586 176.142 176.600 0.214 0.000 1.071 94 E CA -0.232 56.298 56.400 0.218 0.000 0.851 94 E CB 0.335 30.122 29.700 0.145 0.000 1.066 94 E HN 0.610 nan 8.360 nan 0.000 0.396 95 E N 2.347 122.631 120.200 0.140 0.000 2.392 95 E HA 0.141 4.492 4.350 0.002 0.000 0.264 95 E C 0.880 177.376 176.600 -0.173 0.000 1.024 95 E CA 0.777 57.181 56.400 0.007 0.000 0.903 95 E CB 0.826 30.546 29.700 0.034 0.000 0.963 95 E HN 0.913 nan 8.360 nan 0.000 0.432 96 G N 2.485 111.067 108.800 -0.363 0.000 2.234 96 G HA2 -0.328 3.634 3.960 0.002 0.000 0.260 96 G HA3 -0.328 3.634 3.960 0.002 0.000 0.260 96 G C 0.504 175.203 174.900 -0.334 0.000 0.987 96 G CA 0.516 45.245 45.100 -0.618 0.000 0.625 96 G HN 0.501 nan 8.290 nan 0.000 0.532 97 S N 0.302 116.000 115.700 -0.003 0.000 2.543 97 S HA 0.554 5.025 4.470 0.002 0.000 0.299 97 S C 1.466 176.196 174.600 0.216 0.000 1.125 97 S CA 0.208 58.467 58.200 0.100 0.000 1.098 97 S CB 0.557 63.811 63.200 0.089 0.000 1.063 97 S HN 0.736 nan 8.310 nan 0.000 0.493 98 L N 5.920 127.302 121.223 0.265 0.000 2.079 98 L HA -0.070 4.272 4.340 0.002 0.000 0.210 98 L C 2.005 178.774 176.870 -0.169 0.000 1.081 98 L CA 1.687 56.521 54.840 -0.010 0.000 0.752 98 L CB -0.246 41.657 42.059 -0.261 0.000 0.896 98 L HN 0.588 nan 8.230 nan 0.000 0.433 99 V N -0.362 119.531 119.914 -0.034 0.000 2.252 99 V HA -0.365 3.757 4.120 0.002 0.000 0.249 99 V C 2.564 178.706 176.094 0.080 0.000 1.056 99 V CA 2.291 64.612 62.300 0.036 0.000 1.022 99 V CB -0.747 31.140 31.823 0.107 0.000 0.641 99 V HN 0.623 nan 8.190 nan 0.000 0.445 100 Q N -0.505 119.358 119.800 0.105 0.000 2.119 100 Q HA -0.193 4.148 4.340 0.002 0.000 0.201 100 Q C 2.232 178.326 176.000 0.156 0.000 0.972 100 Q CA 1.782 57.670 55.803 0.141 0.000 0.847 100 Q CB -0.344 28.494 28.738 0.167 0.000 0.903 100 Q HN 0.575 nan 8.270 nan 0.000 0.433 101 L N 0.394 121.678 121.223 0.102 0.000 1.990 101 L HA -0.177 4.164 4.340 0.002 0.000 0.213 101 L C 2.092 178.966 176.870 0.007 0.000 1.072 101 L CA 1.884 56.684 54.840 -0.067 0.000 0.755 101 L CB -0.986 40.899 42.059 -0.289 0.000 0.889 101 L HN 0.116 nan 8.230 nan 0.000 0.432 102 F N 0.022 119.802 119.950 -0.284 0.000 2.293 102 F HA -0.130 4.398 4.527 0.003 0.000 0.300 102 F C 2.917 178.658 175.800 -0.097 0.000 1.086 102 F CA 1.036 58.886 58.000 -0.250 0.000 1.375 102 F CB -1.363 37.459 39.000 -0.296 0.000 1.045 102 F HN 0.406 nan 8.300 nan 0.000 0.516 103 S N -0.078 115.698 115.700 0.126 0.000 2.399 103 S HA -0.147 4.325 4.470 0.002 0.000 0.231 103 S C 2.217 176.843 174.600 0.043 0.000 1.022 103 S CA 0.999 59.252 58.200 0.088 0.000 0.983 103 S CB -0.680 62.579 63.200 0.099 0.000 0.803 103 S HN 0.218 nan 8.310 nan 0.000 0.480 104 A N 1.474 124.327 122.820 0.054 0.000 1.855 104 A HA 0.231 4.552 4.320 0.002 0.000 0.213 104 A C 2.438 179.993 177.584 -0.048 0.000 1.195 104 A CA 1.411 53.477 52.037 0.048 0.000 0.610 104 A CB -0.871 18.240 19.000 0.185 0.000 0.837 104 A HN 1.182 nan 8.150 nan 0.000 0.444 105 V N -4.842 114.978 119.914 -0.156 0.000 3.590 105 V HA 0.631 4.753 4.120 0.002 0.000 0.265 105 V C 1.294 177.223 176.094 -0.275 0.000 1.239 105 V CA 0.973 63.137 62.300 -0.226 0.000 1.117 105 V CB 0.097 31.656 31.823 -0.439 0.000 0.818 105 V HN 0.643 nan 8.190 nan 0.000 0.451 106 A N -0.163 122.464 122.820 -0.321 0.000 2.643 106 A HA 0.826 5.147 4.320 0.002 0.000 0.295 106 A C 0.995 178.564 177.584 -0.024 0.000 1.065 106 A CA 0.399 52.284 52.037 -0.252 0.000 0.986 106 A CB -0.178 18.558 19.000 -0.440 0.000 1.212 106 A HN 0.587 nan 8.150 nan 0.000 0.516 107 G N 0.149 108.895 108.800 -0.089 0.000 2.968 107 G HA2 0.174 4.136 3.960 0.002 0.000 0.206 107 G HA3 0.174 4.136 3.960 0.002 0.000 0.206 107 G C 0.812 175.720 174.900 0.013 0.000 2.051 107 G CA 0.248 45.359 45.100 0.019 0.000 0.773 107 G HN 0.239 nan 8.290 nan 0.000 0.741 108 N N 0.894 119.576 118.700 -0.030 0.000 2.272 108 N HA -0.147 4.594 4.740 0.002 0.000 0.185 108 N C 2.462 177.909 175.510 -0.106 0.000 1.014 108 N CA 1.404 54.431 53.050 -0.039 0.000 0.870 108 N CB -0.402 38.055 38.487 -0.051 0.000 0.975 108 N HN 0.276 nan 8.380 nan 0.000 0.433 109 V N -1.913 117.856 119.914 -0.241 0.000 2.453 109 V HA -0.225 3.897 4.120 0.002 0.000 0.252 109 V C 1.747 177.656 176.094 -0.308 0.000 1.068 109 V CA 1.496 63.570 62.300 -0.376 0.000 1.070 109 V CB -1.273 30.206 31.823 -0.575 0.000 0.664 109 V HN 0.099 nan 8.190 nan 0.000 0.461 110 F N 2.088 121.995 119.950 -0.071 0.000 2.365 110 F HA 0.211 4.740 4.527 0.003 0.000 0.300 110 F C 2.428 178.284 175.800 0.093 0.000 1.090 110 F CA 0.958 58.967 58.000 0.015 0.000 1.408 110 F CB -0.441 38.544 39.000 -0.025 0.000 1.060 110 F HN 0.347 nan 8.300 nan 0.000 0.534 111 G N -0.353 108.549 108.800 0.171 0.000 3.141 111 G HA2 0.142 4.104 3.960 0.002 0.000 0.218 111 G HA3 0.142 4.104 3.960 0.002 0.000 0.218 111 G C 0.569 175.479 174.900 0.017 0.000 1.170 111 G CA -0.368 44.791 45.100 0.098 0.000 0.769 111 G HN 0.088 nan 8.290 nan 0.000 0.546 112 M N 1.319 120.900 119.600 -0.033 0.000 2.217 112 M HA 0.132 4.613 4.480 0.002 0.000 0.352 112 M C 1.646 177.902 176.300 -0.074 0.000 1.376 112 M CA -0.059 55.182 55.300 -0.099 0.000 1.107 112 M CB 1.336 33.818 32.600 -0.197 0.000 1.723 112 M HN 0.220 nan 8.290 nan 0.000 0.461 113 K N 2.213 122.571 120.400 -0.070 0.000 2.209 113 K HA -0.055 4.267 4.320 0.002 0.000 0.204 113 K C 1.382 177.944 176.600 -0.063 0.000 1.048 113 K CA 1.537 57.794 56.287 -0.050 0.000 0.940 113 K CB -0.192 32.286 32.500 -0.037 0.000 0.729 113 K HN 0.718 nan 8.250 nan 0.000 0.451 114 A N 1.335 124.089 122.820 -0.111 0.000 2.235 114 A HA 0.197 4.519 4.320 0.002 0.000 0.208 114 A C 0.530 178.047 177.584 -0.112 0.000 1.172 114 A CA 0.085 52.047 52.037 -0.125 0.000 0.786 114 A CB -0.318 18.555 19.000 -0.212 0.000 0.804 114 A HN 0.245 nan 8.150 nan 0.000 0.479 115 L N -1.429 119.742 121.223 -0.087 0.000 2.346 115 L HA 0.374 4.716 4.340 0.002 0.000 0.274 115 L C 1.083 177.968 176.870 0.026 0.000 1.007 115 L CA -0.630 54.196 54.840 -0.023 0.000 0.818 115 L CB 1.819 43.854 42.059 -0.040 0.000 1.284 115 L HN 0.086 nan 8.230 nan 0.000 0.424 116 K N 0.907 121.345 120.400 0.063 0.000 2.044 116 K HA 0.104 4.425 4.320 0.002 0.000 0.204 116 K C 0.170 176.815 176.600 0.076 0.000 1.049 116 K CA 0.952 57.273 56.287 0.056 0.000 0.945 116 K CB 0.350 32.892 32.500 0.071 0.000 0.724 116 K HN 0.542 nan 8.250 nan 0.000 0.440 117 N N -0.177 118.627 118.700 0.174 0.000 2.331 117 N HA 0.257 4.998 4.740 0.002 0.000 0.280 117 N C -2.050 173.718 175.510 0.429 0.000 1.155 117 N CA -0.594 52.657 53.050 0.335 0.000 0.822 117 N CB 2.237 40.928 38.487 0.339 0.000 1.619 117 N HN -0.095 nan 8.380 nan 0.000 0.476 118 L N 1.124 122.733 121.223 0.644 0.000 2.438 118 L HA 0.515 4.856 4.340 0.002 0.000 0.270 118 L C -1.001 176.137 176.870 0.447 0.000 0.972 118 L CA -0.354 54.738 54.840 0.421 0.000 0.831 118 L CB 1.500 43.678 42.059 0.199 0.000 1.273 118 L HN 0.524 nan 8.230 nan 0.000 0.405 119 R N 4.969 125.758 120.500 0.482 0.000 2.476 119 R HA 0.483 4.825 4.340 0.002 0.000 0.305 119 R C -1.552 174.985 176.300 0.396 0.000 0.965 119 R CA -0.911 55.442 56.100 0.421 0.000 0.867 119 R CB 1.439 31.950 30.300 0.352 0.000 1.176 119 R HN 0.639 nan 8.270 nan 0.000 0.447 120 L N 6.361 127.786 121.223 0.336 0.000 2.385 120 L HA 0.110 4.451 4.340 0.002 0.000 0.281 120 L C -0.044 176.828 176.870 0.004 0.000 1.106 120 L CA 0.216 55.090 54.840 0.057 0.000 0.856 120 L CB 0.724 42.781 42.059 -0.005 0.000 1.186 120 L HN 0.769 nan 8.230 nan 0.000 0.453 121 L N 3.711 124.897 121.223 -0.062 0.000 2.168 121 L HA 0.322 4.663 4.340 0.002 0.000 0.203 121 L C 0.503 177.307 176.870 -0.111 0.000 1.078 121 L CA 0.914 55.726 54.840 -0.046 0.000 0.780 121 L CB -0.466 41.574 42.059 -0.033 0.000 0.939 121 L HN 0.723 nan 8.230 nan 0.000 0.451 122 D N -2.439 117.855 120.400 -0.176 0.000 2.683 122 D HA 0.315 4.956 4.640 0.002 0.000 0.246 122 D C -1.400 174.722 176.300 -0.295 0.000 1.238 122 D CA -0.444 53.384 54.000 -0.286 0.000 0.759 122 D CB 1.425 42.013 40.800 -0.354 0.000 1.349 122 D HN -0.169 nan 8.370 nan 0.000 0.426 123 F N -0.462 119.118 119.950 -0.617 0.000 2.613 123 F HA 0.766 5.294 4.527 0.002 0.000 0.314 123 F C -1.179 174.181 175.800 -0.733 0.000 1.075 123 F CA -0.820 56.837 58.000 -0.571 0.000 0.945 123 F CB 1.771 40.539 39.000 -0.386 0.000 1.310 123 F HN 0.210 nan 8.300 nan 0.000 0.467 124 H N 1.147 120.205 119.070 -0.020 0.000 3.036 124 H HA 0.360 4.917 4.556 0.002 0.000 0.295 124 H C -2.812 172.583 175.328 0.111 0.000 1.124 124 H CA -1.759 54.276 56.048 -0.022 0.000 1.507 124 H CB 1.377 31.149 29.762 0.017 0.000 1.591 124 H HN 0.396 nan 8.280 nan 0.000 0.510 125 P HA 0.132 nan 4.420 nan 0.000 0.286 125 P C -2.599 174.851 177.300 0.250 0.000 1.269 125 P CA -1.558 61.671 63.100 0.216 0.000 0.787 125 P CB 1.369 33.223 31.700 0.256 0.000 0.920 126 P HA 0.008 nan 4.420 nan 0.000 0.274 126 P C 0.688 178.119 177.300 0.218 0.000 1.256 126 P CA -0.275 62.967 63.100 0.237 0.000 0.795 126 P CB 0.750 32.589 31.700 0.233 0.000 1.038 127 Y N 0.910 121.278 120.300 0.112 0.000 2.114 127 Y HA -0.252 4.300 4.550 0.002 0.000 0.282 127 Y C 2.218 178.138 175.900 0.033 0.000 1.165 127 Y CA 2.065 60.203 58.100 0.064 0.000 1.148 127 Y CB -0.322 38.165 38.460 0.044 0.000 0.972 127 Y HN 0.307 nan 8.280 nan 0.000 0.504 128 E N -1.345 118.943 120.200 0.147 0.000 2.338 128 E HA -0.210 4.141 4.350 0.002 0.000 0.197 128 E C 1.671 178.258 176.600 -0.022 0.000 1.007 128 E CA 0.889 57.318 56.400 0.047 0.000 0.849 128 E CB -0.452 29.352 29.700 0.173 0.000 0.774 128 E HN 0.650 nan 8.360 nan 0.000 0.506 129 Y N 0.273 120.570 120.300 -0.004 0.000 2.262 129 Y HA -0.065 4.486 4.550 0.003 0.000 0.295 129 Y C 2.143 178.053 175.900 0.016 0.000 1.121 129 Y CA 0.677 58.819 58.100 0.071 0.000 1.144 129 Y CB -0.092 38.444 38.460 0.127 0.000 1.043 129 Y HN 0.007 nan 8.280 nan 0.000 0.528 130 L N 1.626 122.869 121.223 0.032 0.000 2.201 130 L HA -0.126 4.215 4.340 0.002 0.000 0.212 130 L C 2.436 179.235 176.870 -0.118 0.000 1.105 130 L CA 1.684 56.485 54.840 -0.065 0.000 0.775 130 L CB -0.640 41.266 42.059 -0.254 0.000 0.913 130 L HN 0.320 nan 8.230 nan 0.000 0.440 131 R N -1.928 118.308 120.500 -0.440 0.000 2.237 131 R HA -0.109 4.233 4.340 0.002 0.000 0.219 131 R C 0.721 176.755 176.300 -0.443 0.000 1.080 131 R CA 1.142 56.900 56.100 -0.569 0.000 0.995 131 R CB -0.779 29.046 30.300 -0.792 0.000 0.875 131 R HN 0.454 nan 8.270 nan 0.000 0.462 132 H N -0.241 118.725 119.070 -0.173 0.000 2.538 132 H HA 0.240 4.797 4.556 0.002 0.000 0.286 132 H C -0.793 174.203 175.328 -0.553 0.000 1.035 132 H CA -0.201 55.645 56.048 -0.337 0.000 1.169 132 H CB -0.331 29.179 29.762 -0.420 0.000 1.417 132 H HN 0.086 nan 8.280 nan 0.000 0.567 133 F N -0.092 119.816 119.950 -0.069 0.000 2.551 133 F HA 0.308 4.837 4.527 0.003 0.000 0.316 133 F C 1.266 177.082 175.800 0.027 0.000 1.089 133 F CA -0.859 57.115 58.000 -0.043 0.000 0.915 133 F CB 2.133 41.079 39.000 -0.090 0.000 1.186 133 F HN -0.272 nan 8.300 nan 0.000 0.456 134 K N 1.625 122.118 120.400 0.156 0.000 2.314 134 K HA 0.320 4.642 4.320 0.002 0.000 0.198 134 K C 0.970 177.629 176.600 0.099 0.000 1.045 134 K CA 0.488 56.843 56.287 0.115 0.000 0.988 134 K CB 0.088 32.611 32.500 0.038 0.000 0.783 134 K HN 0.918 nan 8.250 nan 0.000 0.484 135 G N 2.004 110.853 108.800 0.082 0.000 2.752 135 G HA2 -0.222 3.739 3.960 0.002 0.000 0.234 135 G HA3 -0.222 3.739 3.960 0.002 0.000 0.234 135 G C -2.762 172.173 174.900 0.058 0.000 1.367 135 G CA -1.016 44.106 45.100 0.037 0.000 0.879 135 G HN -0.038 nan 8.290 nan 0.000 0.563 136 P HA 0.163 nan 4.420 nan 0.000 0.266 136 P C 0.659 177.969 177.300 0.016 0.000 1.195 136 P CA 0.269 63.416 63.100 0.078 0.000 0.768 136 P CB 0.832 32.590 31.700 0.096 0.000 0.838 137 Q N 1.631 121.423 119.800 -0.013 0.000 2.096 137 Q HA -0.100 4.242 4.340 0.002 0.000 0.197 137 Q C 0.561 176.306 176.000 -0.425 0.000 0.964 137 Q CA 1.686 57.342 55.803 -0.245 0.000 0.838 137 Q CB -0.107 28.425 28.738 -0.343 0.000 0.906 137 Q HN 0.414 nan 8.270 nan 0.000 0.444 138 F N -0.806 119.186 119.950 0.070 0.000 2.532 138 F HA 0.358 4.887 4.527 0.002 0.000 0.278 138 F C 1.481 177.296 175.800 0.024 0.000 0.975 138 F CA 0.617 58.660 58.000 0.073 0.000 1.292 138 F CB -0.403 38.685 39.000 0.147 0.000 1.112 138 F HN 0.251 nan 8.300 nan 0.000 0.703 139 G N 0.957 109.893 108.800 0.226 0.000 2.692 139 G HA2 -0.262 3.699 3.960 0.002 0.000 0.248 139 G HA3 -0.262 3.699 3.960 0.002 0.000 0.248 139 G C 0.803 175.695 174.900 -0.012 0.000 1.340 139 G CA -0.176 44.972 45.100 0.080 0.000 0.896 139 G HN 0.172 nan 8.290 nan 0.000 0.570 140 V N -0.038 119.725 119.914 -0.252 0.000 2.252 140 V HA -0.250 3.872 4.120 0.002 0.000 0.249 140 V C 3.002 178.950 176.094 -0.244 0.000 1.056 140 V CA 2.988 64.933 62.300 -0.592 0.000 1.022 140 V CB -0.619 30.784 31.823 -0.699 0.000 0.641 140 V HN 0.676 nan 8.190 nan 0.000 0.445 141 Q N 0.179 119.901 119.800 -0.128 0.000 2.119 141 Q HA -0.068 4.274 4.340 0.002 0.000 0.201 141 Q C 2.417 178.421 176.000 0.007 0.000 0.972 141 Q CA 1.758 57.532 55.803 -0.049 0.000 0.847 141 Q CB -1.110 27.610 28.738 -0.031 0.000 0.903 141 Q HN 0.678 nan 8.270 nan 0.000 0.433 142 G N 0.625 109.471 108.800 0.077 0.000 2.440 142 G HA2 -0.213 3.748 3.960 0.002 0.000 0.218 142 G HA3 -0.213 3.748 3.960 0.002 0.000 0.218 142 G C 1.571 176.465 174.900 -0.010 0.000 1.154 142 G CA 0.641 45.885 45.100 0.241 0.000 0.767 142 G HN 0.329 nan 8.290 nan 0.000 0.552 143 I N -0.174 120.267 120.570 -0.214 0.000 2.286 143 I HA -0.062 4.109 4.170 0.002 0.000 0.245 143 I C 3.019 178.818 176.117 -0.531 0.000 1.104 143 I CA 0.558 61.392 61.300 -0.776 0.000 1.397 143 I CB -0.151 37.731 38.000 -0.196 0.000 1.072 143 I HN 0.054 nan 8.210 nan 0.000 0.417 144 R N 0.465 120.887 120.500 -0.131 0.000 2.091 144 R HA -0.248 4.093 4.340 0.002 0.000 0.238 144 R C 2.188 178.438 176.300 -0.084 0.000 1.136 144 R CA 1.819 57.891 56.100 -0.047 0.000 0.959 144 R CB -0.400 29.916 30.300 0.027 0.000 0.856 144 R HN 0.475 nan 8.270 nan 0.000 0.437 145 E N 0.654 120.810 120.200 -0.073 0.000 2.047 145 E HA -0.191 4.160 4.350 0.002 0.000 0.191 145 E C 1.881 178.505 176.600 0.041 0.000 0.987 145 E CA 1.350 57.753 56.400 0.004 0.000 0.799 145 E CB -0.155 29.583 29.700 0.063 0.000 0.752 145 E HN 0.451 nan 8.360 nan 0.000 0.449 146 F N -0.596 119.360 119.950 0.011 0.000 2.325 146 F HA 0.024 4.552 4.527 0.002 0.000 0.299 146 F C 1.934 177.718 175.800 -0.026 0.000 1.090 146 F CA 0.119 58.099 58.000 -0.033 0.000 1.392 146 F CB -0.087 38.841 39.000 -0.120 0.000 1.053 146 F HN -0.043 nan 8.300 nan 0.000 0.521 147 M N 1.389 120.947 119.600 -0.072 0.000 2.492 147 M HA 0.225 4.707 4.480 0.002 0.000 0.262 147 M C 1.780 178.092 176.300 0.020 0.000 1.090 147 M CA 0.916 56.229 55.300 0.022 0.000 1.110 147 M CB -1.613 30.949 32.600 -0.064 0.000 1.407 147 M HN 0.500 nan 8.290 nan 0.000 0.470 148 G N 1.239 110.044 108.800 0.009 0.000 2.221 148 G HA2 -0.177 3.785 3.960 0.002 0.000 0.265 148 G HA3 -0.177 3.785 3.960 0.002 0.000 0.265 148 G C -0.142 174.762 174.900 0.006 0.000 1.041 148 G CA 0.155 45.264 45.100 0.014 0.000 0.807 148 G HN 0.358 nan 8.290 nan 0.000 0.502 149 V N 1.401 121.315 119.914 0.000 0.000 2.325 149 V HA 0.336 4.458 4.120 0.002 0.000 0.280 149 V C 1.312 177.420 176.094 0.022 0.000 1.016 149 V CA -0.074 62.230 62.300 0.008 0.000 0.818 149 V CB 1.366 33.191 31.823 0.002 0.000 1.019 149 V HN 0.534 nan 8.190 nan 0.000 0.434 150 K N 1.693 122.105 120.400 0.020 0.000 2.243 150 K HA 0.005 4.327 4.320 0.002 0.000 0.201 150 K C 0.598 177.218 176.600 0.033 0.000 1.051 150 K CA 1.601 57.901 56.287 0.023 0.000 0.970 150 K CB 0.748 33.257 32.500 0.016 0.000 0.755 150 K HN 0.589 nan 8.250 nan 0.000 0.465 151 D N 0.447 120.869 120.400 0.036 0.000 2.412 151 D HA 0.020 4.661 4.640 0.002 0.000 0.298 151 D C -0.098 176.232 176.300 0.050 0.000 1.136 151 D CA -0.248 53.775 54.000 0.039 0.000 0.988 151 D CB 0.559 41.374 40.800 0.026 0.000 1.712 151 D HN 0.202 nan 8.370 nan 0.000 0.503 152 R N 1.399 121.921 120.500 0.037 0.000 2.738 152 R HA 0.352 4.694 4.340 0.002 0.000 0.268 152 R C -2.256 174.070 176.300 0.043 0.000 1.062 152 R CA -1.065 55.056 56.100 0.034 0.000 1.158 152 R CB -0.712 29.597 30.300 0.015 0.000 1.046 152 R HN 0.006 nan 8.270 nan 0.000 0.493 153 P HA 0.003 nan 4.420 nan 0.000 0.269 153 P C -0.372 176.898 177.300 -0.051 0.000 1.215 153 P CA -0.040 63.065 63.100 0.008 0.000 0.780 153 P CB 0.539 32.246 31.700 0.011 0.000 0.898 154 L N 1.443 122.582 121.223 -0.140 0.000 2.418 154 L HA 0.357 4.698 4.340 0.002 0.000 0.265 154 L C 1.175 177.962 176.870 -0.137 0.000 1.143 154 L CA -0.179 54.566 54.840 -0.158 0.000 0.809 154 L CB 0.596 42.490 42.059 -0.275 0.000 1.124 154 L HN 0.458 nan 8.230 nan 0.000 0.456 155 T N -0.513 113.980 114.554 -0.102 0.000 2.855 155 T HA 0.827 5.178 4.350 0.002 0.000 0.281 155 T C -0.498 174.140 174.700 -0.102 0.000 1.007 155 T CA -0.753 61.294 62.100 -0.088 0.000 1.009 155 T CB 2.080 70.912 68.868 -0.060 0.000 0.983 155 T HN 0.723 nan 8.240 nan 0.000 0.455 156 A N 1.490 124.245 122.820 -0.109 0.000 2.527 156 A HA 0.893 5.215 4.320 0.002 0.000 0.293 156 A C -0.372 177.148 177.584 -0.107 0.000 1.117 156 A CA -0.956 51.005 52.037 -0.127 0.000 0.723 156 A CB 2.051 20.949 19.000 -0.169 0.000 1.313 156 A HN 0.902 nan 8.150 nan 0.000 0.411 157 T N 0.750 115.222 114.554 -0.136 0.000 3.548 157 T HA 0.430 4.782 4.350 0.002 0.000 0.329 157 T C -1.344 173.260 174.700 -0.160 0.000 0.960 157 T CA -0.212 61.806 62.100 -0.138 0.000 1.041 157 T CB 0.804 69.560 68.868 -0.187 0.000 1.065 157 T HN 0.704 nan 8.240 nan 0.000 0.459 158 V N 7.151 127.016 119.914 -0.082 0.000 2.461 158 V HA 0.369 4.490 4.120 0.002 0.000 0.275 158 V C -1.984 174.053 176.094 -0.096 0.000 1.047 158 V CA -1.804 60.455 62.300 -0.069 0.000 0.955 158 V CB 0.969 32.805 31.823 0.022 0.000 0.988 158 V HN 0.660 nan 8.190 nan 0.000 0.471 159 P HA 0.234 nan 4.420 nan 0.000 0.272 159 P C -0.760 176.607 177.300 0.111 0.000 1.223 159 P CA -0.325 62.697 63.100 -0.130 0.000 0.784 159 P CB 0.524 31.947 31.700 -0.462 0.000 0.923 160 K N 2.421 122.936 120.400 0.190 0.000 2.345 160 K HA 0.469 4.791 4.320 0.002 0.000 0.255 160 K C -2.431 174.335 176.600 0.277 0.000 0.934 160 K CA -1.964 54.440 56.287 0.195 0.000 0.801 160 K CB 1.197 33.751 32.500 0.090 0.000 1.137 160 K HN 0.295 nan 8.250 nan 0.000 0.424 161 P HA 0.109 nan 4.420 nan 0.000 0.273 161 P C 0.443 177.868 177.300 0.209 0.000 1.250 161 P CA -0.288 62.839 63.100 0.045 0.000 0.793 161 P CB 0.666 32.276 31.700 -0.150 0.000 1.011 162 K N -0.452 120.023 120.400 0.125 0.000 2.400 162 K HA 0.146 4.467 4.320 0.002 0.000 0.194 162 K C 0.365 177.055 176.600 0.150 0.000 1.033 162 K CA 0.679 57.063 56.287 0.162 0.000 1.021 162 K CB 0.150 32.712 32.500 0.103 0.000 0.808 162 K HN 0.323 nan 8.250 nan 0.000 0.505 163 M N -0.192 119.449 119.600 0.069 0.000 2.591 163 M HA 0.352 4.833 4.480 0.002 0.000 0.306 163 M C 0.324 176.533 176.300 -0.151 0.000 1.190 163 M CA -0.026 55.317 55.300 0.072 0.000 0.889 163 M CB 1.732 34.357 32.600 0.042 0.000 1.728 163 M HN 0.363 nan 8.290 nan 0.000 0.458 164 G N 0.641 109.426 108.800 -0.025 0.000 2.255 164 G HA2 -0.155 3.806 3.960 0.002 0.000 0.196 164 G HA3 -0.155 3.806 3.960 0.002 0.000 0.196 164 G C -0.857 173.882 174.900 -0.270 0.000 0.998 164 G CA -0.711 44.210 45.100 -0.299 0.000 0.656 164 G HN 0.674 nan 8.290 nan 0.000 0.490 165 W N 3.155 124.504 121.300 0.081 0.000 2.264 165 W HA 0.476 5.137 4.660 0.002 0.000 0.331 165 W C 1.344 178.055 176.519 0.319 0.000 1.364 165 W CA 0.363 57.790 57.345 0.137 0.000 1.253 165 W CB 0.468 29.992 29.460 0.107 0.000 1.215 165 W HN 0.472 nan 8.180 nan 0.000 0.561 166 S N 1.184 117.155 115.700 0.451 0.000 2.608 166 S HA 0.136 4.608 4.470 0.002 0.000 0.261 166 S C 0.799 175.640 174.600 0.403 0.000 1.314 166 S CA -0.732 57.726 58.200 0.429 0.000 0.992 166 S CB 1.106 64.464 63.200 0.263 0.000 0.935 166 S HN 0.380 nan 8.310 nan 0.000 0.564 167 V N 1.023 121.122 119.914 0.307 0.000 2.332 167 V HA -0.129 3.992 4.120 0.002 0.000 0.248 167 V C 2.923 179.157 176.094 0.233 0.000 1.055 167 V CA 2.212 64.664 62.300 0.253 0.000 1.038 167 V CB -1.023 30.905 31.823 0.175 0.000 0.651 167 V HN 0.896 nan 8.190 nan 0.000 0.450 168 E N 0.128 120.446 120.200 0.196 0.000 2.072 168 E HA -0.183 4.169 4.350 0.002 0.000 0.190 168 E C 2.263 178.965 176.600 0.170 0.000 0.982 168 E CA 1.193 57.683 56.400 0.149 0.000 0.803 168 E CB -0.072 29.696 29.700 0.113 0.000 0.755 168 E HN 0.713 nan 8.360 nan 0.000 0.453 169 E N -0.571 119.775 120.200 0.242 0.000 2.118 169 E HA -0.212 4.139 4.350 0.002 0.000 0.195 169 E C 1.922 178.717 176.600 0.324 0.000 0.992 169 E CA 1.032 57.630 56.400 0.329 0.000 0.804 169 E CB -0.212 29.759 29.700 0.452 0.000 0.741 169 E HN 0.229 nan 8.360 nan 0.000 0.458 170 Y N 0.722 121.088 120.300 0.110 0.000 2.263 170 Y HA -0.075 4.476 4.550 0.002 0.000 0.292 170 Y C 2.233 177.994 175.900 -0.231 0.000 1.130 170 Y CA 0.819 58.788 58.100 -0.219 0.000 1.179 170 Y CB -0.468 37.923 38.460 -0.114 0.000 0.998 170 Y HN -0.001 nan 8.280 nan 0.000 0.532 171 A N 0.101 122.937 122.820 0.026 0.000 1.908 171 A HA -0.240 4.082 4.320 0.002 0.000 0.218 171 A C 2.106 179.649 177.584 -0.068 0.000 1.181 171 A CA 2.128 54.144 52.037 -0.034 0.000 0.627 171 A CB -0.620 18.406 19.000 0.043 0.000 0.818 171 A HN 0.595 nan 8.150 nan 0.000 0.445 172 E N -1.078 119.099 120.200 -0.038 0.000 2.072 172 E HA -0.132 4.220 4.350 0.002 0.000 0.190 172 E C 1.897 178.462 176.600 -0.059 0.000 0.982 172 E CA 1.067 57.458 56.400 -0.015 0.000 0.803 172 E CB -0.235 29.480 29.700 0.025 0.000 0.755 172 E HN 0.597 nan 8.360 nan 0.000 0.453 173 I N 1.416 121.865 120.570 -0.203 0.000 2.252 173 I HA -0.153 4.018 4.170 0.002 0.000 0.245 173 I C 2.180 178.018 176.117 -0.465 0.000 1.102 173 I CA 1.147 62.247 61.300 -0.332 0.000 1.385 173 I CB -0.402 37.270 38.000 -0.548 0.000 1.064 173 I HN -0.017 nan 8.210 nan 0.000 0.414 174 A N -0.460 121.965 122.820 -0.658 0.000 1.940 174 A HA -0.317 4.004 4.320 0.002 0.000 0.219 174 A C 2.421 179.752 177.584 -0.421 0.000 1.176 174 A CA 2.119 53.639 52.037 -0.862 0.000 0.631 174 A CB -1.399 16.960 19.000 -1.068 0.000 0.814 174 A HN 0.655 nan 8.150 nan 0.000 0.446 175 Y N 0.504 120.677 120.300 -0.212 0.000 2.263 175 Y HA -0.143 4.409 4.550 0.002 0.000 0.292 175 Y C 2.333 178.210 175.900 -0.038 0.000 1.130 175 Y CA 1.862 59.956 58.100 -0.011 0.000 1.179 175 Y CB 0.053 38.507 38.460 -0.010 0.000 0.998 175 Y HN 0.320 nan 8.280 nan 0.000 0.532 176 E N 0.588 120.757 120.200 -0.053 0.000 2.047 176 E HA -0.188 4.164 4.350 0.002 0.000 0.191 176 E C 2.310 178.797 176.600 -0.189 0.000 0.987 176 E CA 1.428 57.761 56.400 -0.111 0.000 0.799 176 E CB -0.645 29.021 29.700 -0.057 0.000 0.752 176 E HN 0.531 nan 8.360 nan 0.000 0.449 177 L N -0.341 120.730 121.223 -0.254 0.000 1.976 177 L HA -0.185 4.157 4.340 0.002 0.000 0.209 177 L C 2.693 179.454 176.870 -0.181 0.000 1.071 177 L CA 1.270 55.944 54.840 -0.275 0.000 0.746 177 L CB -0.529 41.257 42.059 -0.454 0.000 0.890 177 L HN 0.209 nan 8.230 nan 0.000 0.432 178 W N 0.447 121.582 121.300 -0.276 0.000 2.335 178 W HA -0.158 4.503 4.660 0.003 0.000 0.311 178 W C 2.912 179.265 176.519 -0.277 0.000 1.213 178 W CA 1.375 58.564 57.345 -0.260 0.000 1.274 178 W CB -1.214 28.086 29.460 -0.267 0.000 1.148 178 W HN 0.162 nan 8.180 nan 0.000 0.498 179 S N -0.252 115.354 115.700 -0.158 0.000 2.399 179 S HA -0.100 4.371 4.470 0.002 0.000 0.231 179 S C 1.998 176.500 174.600 -0.163 0.000 1.022 179 S CA 1.432 59.471 58.200 -0.270 0.000 0.983 179 S CB -0.767 62.100 63.200 -0.554 0.000 0.803 179 S HN 0.352 nan 8.310 nan 0.000 0.480 180 G N -0.109 108.608 108.800 -0.138 0.000 2.650 180 G HA2 0.375 4.336 3.960 0.002 0.000 0.214 180 G HA3 0.375 4.336 3.960 0.002 0.000 0.214 180 G C 0.877 175.726 174.900 -0.086 0.000 1.136 180 G CA 0.570 45.603 45.100 -0.112 0.000 0.789 180 G HN 0.744 nan 8.290 nan 0.000 0.536 181 G N -0.629 108.132 108.800 -0.064 0.000 2.425 181 G HA2 -0.156 3.806 3.960 0.002 0.000 0.177 181 G HA3 -0.156 3.806 3.960 0.002 0.000 0.177 181 G C 0.210 175.099 174.900 -0.019 0.000 0.999 181 G CA -0.329 44.745 45.100 -0.042 0.000 0.723 181 G HN 0.158 nan 8.290 nan 0.000 0.491 182 I N 2.431 122.992 120.570 -0.014 0.000 2.752 182 I HA 0.170 4.341 4.170 0.002 0.000 0.287 182 I C 0.945 177.125 176.117 0.104 0.000 1.188 182 I CA 0.138 61.437 61.300 -0.001 0.000 1.427 182 I CB 0.650 38.602 38.000 -0.080 0.000 1.365 182 I HN 0.102 nan 8.210 nan 0.000 0.585 183 D N 5.151 125.586 120.400 0.059 0.000 2.201 183 D HA 0.098 4.740 4.640 0.002 0.000 0.209 183 D C 0.383 176.787 176.300 0.174 0.000 0.961 183 D CA 1.120 55.168 54.000 0.081 0.000 0.861 183 D CB 0.574 41.379 40.800 0.009 0.000 0.997 183 D HN 0.312 nan 8.370 nan 0.000 0.486 184 L N 1.774 123.048 121.223 0.085 0.000 2.372 184 L HA 0.304 4.645 4.340 0.002 0.000 0.274 184 L C -0.728 176.096 176.870 -0.077 0.000 0.988 184 L CA -0.931 53.942 54.840 0.055 0.000 0.833 184 L CB 2.550 44.529 42.059 -0.133 0.000 1.236 184 L HN -0.108 nan 8.230 nan 0.000 0.410 185 L N 4.197 125.350 121.223 -0.118 0.000 2.380 185 L HA 0.348 4.689 4.340 0.002 0.000 0.273 185 L C -0.150 176.639 176.870 -0.136 0.000 1.138 185 L CA 0.449 55.009 54.840 -0.467 0.000 0.832 185 L CB 0.715 42.131 42.059 -1.071 0.000 1.124 185 L HN 0.578 nan 8.230 nan 0.000 0.454 186 K N 3.239 123.560 120.400 -0.133 0.000 2.426 186 K HA 0.346 4.667 4.320 0.002 0.000 0.254 186 K C -1.211 175.466 176.600 0.128 0.000 0.936 186 K CA -0.719 55.589 56.287 0.036 0.000 0.801 186 K CB 1.012 33.500 32.500 -0.020 0.000 1.139 186 K HN 0.601 nan 8.250 nan 0.000 0.424 187 D N 2.598 123.180 120.400 0.302 0.000 2.372 187 D HA -0.002 4.640 4.640 0.002 0.000 0.243 187 D C -0.384 176.041 176.300 0.208 0.000 1.121 187 D CA 0.206 54.404 54.000 0.330 0.000 0.898 187 D CB 1.058 42.128 40.800 0.450 0.000 1.202 187 D HN 0.555 nan 8.370 nan 0.000 0.428 188 D N 0.505 121.008 120.400 0.173 0.000 2.423 188 D HA -0.081 4.560 4.640 0.002 0.000 0.238 188 D C 1.573 177.922 176.300 0.080 0.000 1.142 188 D CA -0.137 53.931 54.000 0.114 0.000 0.884 188 D CB 0.798 41.680 40.800 0.137 0.000 1.199 188 D HN 0.298 nan 8.370 nan 0.000 0.438 189 E N 2.542 122.653 120.200 -0.148 0.000 2.219 189 E HA -0.286 4.066 4.350 0.002 0.000 0.198 189 E C 0.399 177.006 176.600 0.011 0.000 0.998 189 E CA 1.171 57.439 56.400 -0.221 0.000 0.818 189 E CB -0.222 29.170 29.700 -0.513 0.000 0.741 189 E HN 0.436 nan 8.360 nan 0.000 0.477 190 N N -0.042 118.724 118.700 0.110 0.000 2.353 190 N HA 0.023 4.765 4.740 0.002 0.000 0.185 190 N C -0.448 175.280 175.510 0.363 0.000 1.098 190 N CA 0.048 53.214 53.050 0.192 0.000 0.872 190 N CB -0.084 38.511 38.487 0.180 0.000 0.970 190 N HN 0.139 nan 8.380 nan 0.000 0.467 191 F N 2.321 122.402 119.950 0.218 0.000 2.406 191 F HA 0.158 4.686 4.527 0.002 0.000 0.358 191 F C 1.473 177.414 175.800 0.235 0.000 1.161 191 F CA -0.303 57.914 58.000 0.361 0.000 1.185 191 F CB 0.418 39.568 39.000 0.249 0.000 1.421 191 F HN -0.068 nan 8.300 nan 0.000 0.576 192 T N 0.028 114.440 114.554 -0.237 0.000 3.480 192 T HA 0.284 4.636 4.350 0.002 0.000 0.229 192 T C 0.313 174.663 174.700 -0.584 0.000 0.944 192 T CA 0.021 61.903 62.100 -0.363 0.000 1.388 192 T CB 0.273 68.939 68.868 -0.337 0.000 1.180 192 T HN 0.345 nan 8.240 nan 0.000 0.414 193 S N -0.050 115.014 115.700 -1.060 0.000 2.592 193 S HA 0.663 5.135 4.470 0.002 0.000 0.275 193 S C -2.159 171.664 174.600 -1.295 0.000 1.169 193 S CA -0.950 56.751 58.200 -0.832 0.000 0.958 193 S CB 0.576 63.559 63.200 -0.363 0.000 1.095 193 S HN 0.369 nan 8.310 nan 0.000 0.471 194 F N 3.148 122.815 119.950 -0.471 0.000 2.629 194 F HA 0.513 5.041 4.527 0.002 0.000 0.316 194 F C -1.757 173.712 175.800 -0.553 0.000 1.081 194 F CA -1.993 55.622 58.000 -0.641 0.000 0.954 194 F CB 1.242 39.481 39.000 -1.268 0.000 1.337 194 F HN 0.295 nan 8.300 nan 0.000 0.474 195 P HA -0.190 nan 4.420 nan 0.000 0.216 195 P C 1.058 178.341 177.300 -0.029 0.000 1.150 195 P CA 1.735 64.784 63.100 -0.086 0.000 0.843 195 P CB -0.161 31.567 31.700 0.048 0.000 0.787 196 F N -3.663 116.365 119.950 0.130 0.000 2.765 196 F HA 0.364 4.892 4.527 0.002 0.000 0.302 196 F C 0.483 176.369 175.800 0.144 0.000 1.111 196 F CA -0.272 57.796 58.000 0.114 0.000 1.359 196 F CB -0.588 38.465 39.000 0.089 0.000 1.097 196 F HN -0.209 nan 8.300 nan 0.000 0.577 197 N N 1.547 120.192 118.700 -0.092 0.000 2.732 197 N HA 0.170 4.911 4.740 0.002 0.000 0.235 197 N C -1.137 174.316 175.510 -0.095 0.000 1.466 197 N CA -0.173 52.896 53.050 0.031 0.000 0.751 197 N CB 0.695 39.291 38.487 0.182 0.000 1.317 197 N HN 0.201 nan 8.380 nan 0.000 0.525 198 R N 0.831 121.302 120.500 -0.049 0.000 2.490 198 R HA 0.146 4.487 4.340 0.002 0.000 0.280 198 R C 1.192 177.488 176.300 -0.008 0.000 1.077 198 R CA -0.329 55.740 56.100 -0.052 0.000 1.065 198 R CB 0.885 31.178 30.300 -0.012 0.000 1.003 198 R HN 0.318 nan 8.270 nan 0.000 0.470 199 F N 2.228 122.105 119.950 -0.122 0.000 2.095 199 F HA -0.226 4.303 4.527 0.002 0.000 0.298 199 F C 2.142 177.946 175.800 0.007 0.000 1.104 199 F CA 1.923 59.877 58.000 -0.078 0.000 1.232 199 F CB 0.104 39.035 39.000 -0.114 0.000 0.987 199 F HN 0.649 nan 8.300 nan 0.000 0.475 200 E N -0.158 120.142 120.200 0.167 0.000 2.204 200 E HA -0.195 4.156 4.350 0.002 0.000 0.194 200 E C 1.987 178.612 176.600 0.041 0.000 0.989 200 E CA 1.190 57.656 56.400 0.110 0.000 0.824 200 E CB -0.078 29.699 29.700 0.129 0.000 0.756 200 E HN 0.590 nan 8.360 nan 0.000 0.477 201 E N 0.152 120.373 120.200 0.035 0.000 2.072 201 E HA -0.190 4.162 4.350 0.002 0.000 0.191 201 E C 2.180 178.809 176.600 0.048 0.000 0.985 201 E CA 0.705 57.133 56.400 0.047 0.000 0.801 201 E CB -0.063 29.669 29.700 0.054 0.000 0.750 201 E HN 0.105 nan 8.360 nan 0.000 0.452 202 R N 0.811 121.315 120.500 0.006 0.000 2.073 202 R HA -0.145 4.196 4.340 0.002 0.000 0.234 202 R C 2.294 178.635 176.300 0.067 0.000 1.134 202 R CA 1.143 57.265 56.100 0.038 0.000 0.952 202 R CB -0.243 30.043 30.300 -0.023 0.000 0.850 202 R HN 0.015 nan 8.270 nan 0.000 0.433 203 V N 1.077 120.970 119.914 -0.035 0.000 2.255 203 V HA -0.294 3.828 4.120 0.002 0.000 0.247 203 V C 2.429 178.690 176.094 0.278 0.000 1.051 203 V CA 2.157 64.554 62.300 0.162 0.000 1.018 203 V CB -0.500 31.340 31.823 0.027 0.000 0.641 203 V HN 0.411 nan 8.190 nan 0.000 0.445 204 R N -0.164 120.426 120.500 0.150 0.000 2.091 204 R HA -0.235 4.107 4.340 0.002 0.000 0.238 204 R C 2.390 178.781 176.300 0.150 0.000 1.136 204 R CA 1.913 58.096 56.100 0.138 0.000 0.959 204 R CB -0.326 30.028 30.300 0.090 0.000 0.856 204 R HN 0.337 nan 8.270 nan 0.000 0.437 205 K N 0.583 121.064 120.400 0.135 0.000 2.067 205 K HA 0.006 4.327 4.320 0.002 0.000 0.203 205 K C 1.882 178.557 176.600 0.125 0.000 1.048 205 K CA 0.949 57.306 56.287 0.118 0.000 0.954 205 K CB -0.187 32.377 32.500 0.107 0.000 0.737 205 K HN -0.011 nan 8.250 nan 0.000 0.444 206 L N 0.379 121.680 121.223 0.129 0.000 2.141 206 L HA -0.141 4.201 4.340 0.002 0.000 0.209 206 L C 2.030 178.895 176.870 -0.007 0.000 1.094 206 L CA 1.711 56.587 54.840 0.059 0.000 0.763 206 L CB -0.841 41.223 42.059 0.009 0.000 0.908 206 L HN 0.260 nan 8.230 nan 0.000 0.437 207 Y N -0.052 120.354 120.300 0.176 0.000 2.373 207 Y HA -0.125 4.427 4.550 0.002 0.000 0.293 207 Y C 2.743 178.664 175.900 0.034 0.000 1.129 207 Y CA 0.794 58.954 58.100 0.100 0.000 1.226 207 Y CB -0.207 38.306 38.460 0.088 0.000 1.000 207 Y HN 0.105 nan 8.280 nan 0.000 0.549 208 R N -0.730 119.864 120.500 0.156 0.000 2.092 208 R HA -0.112 4.229 4.340 0.002 0.000 0.231 208 R C 2.113 178.449 176.300 0.061 0.000 1.119 208 R CA 1.421 57.575 56.100 0.091 0.000 0.970 208 R CB -0.568 29.781 30.300 0.082 0.000 0.864 208 R HN 0.180 nan 8.270 nan 0.000 0.440 209 V N 1.204 121.168 119.914 0.083 0.000 2.358 209 V HA -0.219 3.903 4.120 0.002 0.000 0.246 209 V C 2.564 178.670 176.094 0.022 0.000 1.047 209 V CA 1.471 63.849 62.300 0.131 0.000 1.035 209 V CB -0.577 31.384 31.823 0.229 0.000 0.658 209 V HN 0.285 nan 8.190 nan 0.000 0.452 210 R N 0.645 121.021 120.500 -0.207 0.000 2.080 210 R HA -0.203 4.139 4.340 0.002 0.000 0.236 210 R C 1.961 178.034 176.300 -0.378 0.000 1.137 210 R CA 2.352 58.013 56.100 -0.732 0.000 0.943 210 R CB -0.891 28.962 30.300 -0.745 0.000 0.846 210 R HN 0.499 nan 8.270 nan 0.000 0.431 211 D N 0.052 120.358 120.400 -0.156 0.000 2.117 211 D HA -0.177 4.464 4.640 0.002 0.000 0.197 211 D C 1.998 178.262 176.300 -0.061 0.000 0.987 211 D CA 0.938 54.889 54.000 -0.083 0.000 0.829 211 D CB -0.326 40.465 40.800 -0.015 0.000 0.961 211 D HN 0.287 nan 8.370 nan 0.000 0.460 212 R N 0.733 121.221 120.500 -0.020 0.000 2.081 212 R HA -0.111 4.231 4.340 0.002 0.000 0.235 212 R C 2.057 178.371 176.300 0.023 0.000 1.131 212 R CA 1.024 57.142 56.100 0.030 0.000 0.960 212 R CB -0.127 30.228 30.300 0.091 0.000 0.856 212 R HN 0.044 nan 8.270 nan 0.000 0.436 213 V N 1.183 121.079 119.914 -0.030 0.000 2.453 213 V HA -0.163 3.959 4.120 0.002 0.000 0.247 213 V C 2.011 178.025 176.094 -0.134 0.000 1.048 213 V CA 1.768 64.011 62.300 -0.096 0.000 1.049 213 V CB -0.428 31.284 31.823 -0.186 0.000 0.672 213 V HN 0.396 nan 8.190 nan 0.000 0.457 214 E N 0.719 120.816 120.200 -0.171 0.000 2.058 214 E HA -0.236 4.115 4.350 0.002 0.000 0.194 214 E C 2.350 178.906 176.600 -0.073 0.000 0.997 214 E CA 1.471 57.791 56.400 -0.134 0.000 0.801 214 E CB -0.333 29.287 29.700 -0.133 0.000 0.746 214 E HN 0.604 nan 8.360 nan 0.000 0.450 215 A N 1.265 124.055 122.820 -0.050 0.000 1.930 215 A HA -0.216 4.106 4.320 0.002 0.000 0.217 215 A C 1.879 179.453 177.584 -0.017 0.000 1.175 215 A CA 1.407 53.429 52.037 -0.025 0.000 0.627 215 A CB -0.304 18.690 19.000 -0.010 0.000 0.815 215 A HN 0.160 nan 8.150 nan 0.000 0.443 216 E N -0.905 119.288 120.200 -0.012 0.000 2.158 216 E HA -0.089 4.263 4.350 0.002 0.000 0.191 216 E C 2.057 178.644 176.600 -0.022 0.000 0.982 216 E CA 1.429 57.828 56.400 -0.002 0.000 0.823 216 E CB -0.069 29.647 29.700 0.027 0.000 0.766 216 E HN 0.832 nan 8.360 nan 0.000 0.468 217 T N -3.666 110.861 114.554 -0.045 0.000 3.037 217 T HA 0.213 4.564 4.350 0.002 0.000 0.252 217 T C 1.647 176.322 174.700 -0.041 0.000 1.073 217 T CA 0.394 62.464 62.100 -0.050 0.000 1.091 217 T CB 0.555 69.379 68.868 -0.074 0.000 0.935 217 T HN 0.214 nan 8.240 nan 0.000 0.488 218 G N 1.323 110.098 108.800 -0.041 0.000 2.153 218 G HA2 -0.218 3.743 3.960 0.002 0.000 0.252 218 G HA3 -0.218 3.743 3.960 0.002 0.000 0.252 218 G C -0.299 174.579 174.900 -0.036 0.000 0.994 218 G CA 0.325 45.405 45.100 -0.033 0.000 0.698 218 G HN 0.687 nan 8.290 nan 0.000 0.521 219 E N -0.236 119.933 120.200 -0.052 0.000 2.256 219 E HA 0.534 4.885 4.350 0.002 0.000 0.267 219 E C -0.208 176.351 176.600 -0.068 0.000 0.892 219 E CA -0.696 55.675 56.400 -0.049 0.000 0.775 219 E CB 1.399 31.070 29.700 -0.049 0.000 1.207 219 E HN 0.090 nan 8.360 nan 0.000 0.420 220 T N 2.809 117.337 114.554 -0.043 0.000 2.907 220 T HA 0.236 4.587 4.350 0.002 0.000 0.298 220 T C -0.238 174.413 174.700 -0.082 0.000 1.017 220 T CA -0.352 61.723 62.100 -0.041 0.000 1.118 220 T CB 0.399 69.283 68.868 0.026 0.000 0.948 220 T HN 0.101 nan 8.240 nan 0.000 0.531 221 K N 2.755 123.051 120.400 -0.172 0.000 2.422 221 K HA 0.594 4.915 4.320 0.002 0.000 0.251 221 K C -0.300 176.195 176.600 -0.174 0.000 0.933 221 K CA -0.807 55.291 56.287 -0.315 0.000 0.798 221 K CB 2.639 34.592 32.500 -0.911 0.000 1.238 221 K HN 0.513 nan 8.250 nan 0.000 0.428 222 E N 0.663 120.918 120.200 0.092 0.000 2.450 222 E HA 0.390 4.741 4.350 0.002 0.000 0.272 222 E C -1.422 175.472 176.600 0.490 0.000 0.967 222 E CA -0.674 55.902 56.400 0.294 0.000 0.818 222 E CB 2.051 32.020 29.700 0.449 0.000 1.401 222 E HN 0.334 nan 8.360 nan 0.000 0.450 223 Y N 1.489 121.962 120.300 0.288 0.000 2.331 223 Y HA 0.349 4.901 4.550 0.002 0.000 0.326 223 Y C -0.922 175.045 175.900 0.113 0.000 1.020 223 Y CA -1.165 57.056 58.100 0.201 0.000 1.136 223 Y CB 0.459 39.004 38.460 0.143 0.000 1.157 223 Y HN 0.357 nan 8.280 nan 0.000 0.444 224 L N 8.309 129.657 121.223 0.207 0.000 2.395 224 L HA 0.326 4.667 4.340 0.002 0.000 0.268 224 L C 0.304 177.207 176.870 0.056 0.000 1.223 224 L CA 0.049 54.890 54.840 0.001 0.000 1.093 224 L CB -0.010 41.906 42.059 -0.239 0.000 1.349 224 L HN 0.519 nan 8.230 nan 0.000 0.427 225 I N 2.665 123.136 120.570 -0.166 0.000 2.365 225 I HA 0.110 4.281 4.170 0.002 0.000 0.291 225 I C 0.411 176.568 176.117 0.066 0.000 1.004 225 I CA -0.173 60.907 61.300 -0.366 0.000 1.311 225 I CB 1.073 38.579 38.000 -0.824 0.000 1.401 225 I HN 0.579 nan 8.210 nan 0.000 0.491 226 N N 7.615 126.423 118.700 0.180 0.000 2.439 226 N HA 0.176 4.918 4.740 0.002 0.000 0.243 226 N C 0.943 176.559 175.510 0.176 0.000 1.088 226 N CA -0.382 52.784 53.050 0.193 0.000 0.940 226 N CB 0.603 39.211 38.487 0.202 0.000 1.180 226 N HN 0.691 nan 8.380 nan 0.000 0.505 227 I N 0.295 120.899 120.570 0.056 0.000 3.793 227 I HA 0.170 4.341 4.170 0.002 0.000 0.315 227 I C 0.005 176.022 176.117 -0.166 0.000 1.275 227 I CA -0.297 60.897 61.300 -0.177 0.000 1.214 227 I CB -0.060 37.858 38.000 -0.137 0.000 1.018 227 I HN 0.174 nan 8.210 nan 0.000 0.439 228 T N 2.675 117.186 114.554 -0.073 0.000 2.908 228 T HA 0.469 4.820 4.350 0.002 0.000 0.301 228 T C 0.422 175.057 174.700 -0.108 0.000 1.019 228 T CA 0.689 62.752 62.100 -0.062 0.000 1.152 228 T CB 0.705 69.560 68.868 -0.021 0.000 0.966 228 T HN 0.758 nan 8.240 nan 0.000 0.540 229 G N 3.566 112.311 108.800 -0.091 0.000 2.340 229 G HA2 0.503 4.464 3.960 0.002 0.000 0.299 229 G HA3 0.503 4.464 3.960 0.002 0.000 0.299 229 G C -3.225 171.635 174.900 -0.066 0.000 1.291 229 G CA -1.124 43.917 45.100 -0.099 0.000 0.841 229 G HN 0.471 nan 8.290 nan 0.000 0.500 230 P HA 0.174 nan 4.420 nan 0.000 0.264 230 P C 1.458 178.735 177.300 -0.038 0.000 1.179 230 P CA -0.129 62.944 63.100 -0.046 0.000 0.763 230 P CB 0.784 32.453 31.700 -0.051 0.000 0.806 231 V N 2.591 122.496 119.914 -0.015 0.000 2.343 231 V HA -0.320 3.802 4.120 0.002 0.000 0.247 231 V C 1.989 178.099 176.094 0.027 0.000 1.051 231 V CA 2.341 64.655 62.300 0.023 0.000 1.036 231 V CB -2.002 29.851 31.823 0.050 0.000 0.654 231 V HN 0.630 nan 8.190 nan 0.000 0.451 232 N N 1.121 119.819 118.700 -0.004 0.000 2.149 232 N HA -0.211 4.531 4.740 0.002 0.000 0.188 232 N C 1.721 177.217 175.510 -0.023 0.000 1.019 232 N CA 1.751 54.800 53.050 -0.002 0.000 0.857 232 N CB -0.378 38.094 38.487 -0.024 0.000 0.997 232 N HN 0.372 nan 8.380 nan 0.000 0.426 233 I N 1.002 121.538 120.570 -0.057 0.000 2.286 233 I HA -0.103 4.069 4.170 0.002 0.000 0.245 233 I C 2.361 178.393 176.117 -0.142 0.000 1.104 233 I CA 0.989 62.225 61.300 -0.106 0.000 1.397 233 I CB -1.072 36.848 38.000 -0.132 0.000 1.072 233 I HN 0.334 nan 8.210 nan 0.000 0.417 234 M N -0.108 119.426 119.600 -0.109 0.000 2.159 234 M HA -0.223 4.258 4.480 0.002 0.000 0.263 234 M C 2.201 178.453 176.300 -0.080 0.000 1.063 234 M CA 1.584 56.812 55.300 -0.121 0.000 1.110 234 M CB -0.550 32.020 32.600 -0.050 0.000 1.374 234 M HN 0.275 nan 8.290 nan 0.000 0.411 235 E N 1.135 121.329 120.200 -0.010 0.000 2.051 235 E HA -0.203 4.149 4.350 0.002 0.000 0.192 235 E C 1.857 178.444 176.600 -0.021 0.000 0.991 235 E CA 1.377 57.785 56.400 0.014 0.000 0.799 235 E CB 0.118 29.884 29.700 0.109 0.000 0.748 235 E HN 0.417 nan 8.360 nan 0.000 0.449 236 K N 0.095 120.474 120.400 -0.035 0.000 2.103 236 K HA -0.149 4.173 4.320 0.002 0.000 0.207 236 K C 2.378 178.946 176.600 -0.054 0.000 1.048 236 K CA 1.480 57.745 56.287 -0.036 0.000 0.930 236 K CB -0.116 32.359 32.500 -0.041 0.000 0.716 236 K HN 0.103 nan 8.250 nan 0.000 0.444 237 R N 0.330 120.737 120.500 -0.155 0.000 2.092 237 R HA -0.050 4.291 4.340 0.002 0.000 0.231 237 R C 2.426 178.715 176.300 -0.019 0.000 1.119 237 R CA 1.076 57.031 56.100 -0.241 0.000 0.970 237 R CB -0.327 29.436 30.300 -0.895 0.000 0.864 237 R HN 0.181 nan 8.270 nan 0.000 0.440 238 A N 1.590 124.386 122.820 -0.041 0.000 1.877 238 A HA -0.213 4.109 4.320 0.002 0.000 0.216 238 A C 1.912 179.506 177.584 0.017 0.000 1.186 238 A CA 1.449 53.493 52.037 0.012 0.000 0.620 238 A CB -0.382 18.613 19.000 -0.008 0.000 0.822 238 A HN 0.316 nan 8.150 nan 0.000 0.443 239 E N -0.690 119.512 120.200 0.004 0.000 2.118 239 E HA -0.229 4.123 4.350 0.002 0.000 0.195 239 E C 2.061 178.671 176.600 0.016 0.000 0.992 239 E CA 1.699 58.101 56.400 0.004 0.000 0.804 239 E CB -0.298 29.404 29.700 0.003 0.000 0.741 239 E HN 0.700 nan 8.360 nan 0.000 0.458 240 M N 0.015 119.651 119.600 0.060 0.000 2.175 240 M HA -0.137 4.345 4.480 0.002 0.000 0.264 240 M C 2.362 178.679 176.300 0.027 0.000 1.063 240 M CA 0.933 56.281 55.300 0.080 0.000 1.119 240 M CB -0.021 32.691 32.600 0.187 0.000 1.377 240 M HN -0.011 nan 8.290 nan 0.000 0.415 241 V N 0.461 120.408 119.914 0.055 0.000 2.295 241 V HA -0.251 3.871 4.120 0.002 0.000 0.246 241 V C 2.662 178.632 176.094 -0.207 0.000 1.049 241 V CA 2.039 64.285 62.300 -0.090 0.000 1.024 241 V CB -1.236 30.613 31.823 0.044 0.000 0.648 241 V HN 0.518 nan 8.190 nan 0.000 0.447 242 A N 0.500 123.257 122.820 -0.104 0.000 1.908 242 A HA -0.305 4.016 4.320 0.002 0.000 0.218 242 A C 2.057 179.570 177.584 -0.119 0.000 1.181 242 A CA 2.397 54.369 52.037 -0.109 0.000 0.627 242 A CB -0.918 18.048 19.000 -0.058 0.000 0.818 242 A HN 0.636 nan 8.150 nan 0.000 0.445 243 N N -0.682 117.965 118.700 -0.089 0.000 2.309 243 N HA -0.149 4.593 4.740 0.002 0.000 0.182 243 N C 1.409 176.863 175.510 -0.095 0.000 1.018 243 N CA 1.471 54.479 53.050 -0.070 0.000 0.876 243 N CB -0.121 38.345 38.487 -0.034 0.000 0.972 243 N HN 0.433 nan 8.380 nan 0.000 0.434 244 E N -1.191 118.909 120.200 -0.167 0.000 2.479 244 E HA 0.223 4.575 4.350 0.002 0.000 0.193 244 E C 0.736 177.175 176.600 -0.268 0.000 1.049 244 E CA 0.505 56.783 56.400 -0.203 0.000 0.870 244 E CB -0.049 29.489 29.700 -0.270 0.000 0.944 244 E HN 0.389 nan 8.360 nan 0.000 0.492 245 G N -0.788 107.852 108.800 -0.267 0.000 2.163 245 G HA2 -0.179 3.782 3.960 0.002 0.000 0.213 245 G HA3 -0.179 3.782 3.960 0.002 0.000 0.213 245 G C 0.498 175.255 174.900 -0.239 0.000 0.991 245 G CA -0.199 44.783 45.100 -0.197 0.000 0.653 245 G HN 0.522 nan 8.290 nan 0.000 0.518 246 G N -0.651 107.895 108.800 -0.424 0.000 2.483 246 G HA2 0.496 4.457 3.960 0.002 0.000 0.248 246 G HA3 0.496 4.457 3.960 0.002 0.000 0.248 246 G C 0.484 175.284 174.900 -0.165 0.000 1.248 246 G CA 0.044 45.001 45.100 -0.237 0.000 0.838 246 G HN 0.390 nan 8.290 nan 0.000 0.566 247 Q N 0.222 119.926 119.800 -0.161 0.000 2.159 247 Q HA 0.208 4.550 4.340 0.002 0.000 0.217 247 Q C -1.044 174.727 176.000 -0.382 0.000 0.818 247 Q CA 0.083 55.604 55.803 -0.469 0.000 1.008 247 Q CB 1.028 29.104 28.738 -1.103 0.000 1.148 247 Q HN 0.665 nan 8.270 nan 0.000 0.491 248 Y N 0.146 120.420 120.300 -0.043 0.000 2.492 248 Y HA 0.448 5.000 4.550 0.003 0.000 0.346 248 Y C -0.475 175.488 175.900 0.105 0.000 0.997 248 Y CA -1.328 56.817 58.100 0.076 0.000 1.025 248 Y CB 2.011 40.563 38.460 0.154 0.000 1.263 248 Y HN -0.169 nan 8.280 nan 0.000 0.454 249 V N 1.227 121.340 119.914 0.331 0.000 2.914 249 V HA 0.649 4.770 4.120 0.002 0.000 0.314 249 V C -0.839 175.420 176.094 0.274 0.000 1.084 249 V CA -1.072 61.372 62.300 0.240 0.000 0.963 249 V CB 2.020 33.941 31.823 0.162 0.000 1.025 249 V HN 0.860 nan 8.190 nan 0.000 0.432 250 M N 4.184 123.922 119.600 0.229 0.000 2.268 250 M HA 0.728 5.209 4.480 0.002 0.000 0.344 250 M C -1.718 174.686 176.300 0.173 0.000 1.106 250 M CA -0.513 54.945 55.300 0.264 0.000 1.010 250 M CB 1.305 34.093 32.600 0.313 0.000 1.649 250 M HN 0.787 nan 8.290 nan 0.000 0.443 251 I N 3.696 124.354 120.570 0.147 0.000 2.533 251 I HA 0.259 4.431 4.170 0.002 0.000 0.290 251 I C -1.046 175.128 176.117 0.096 0.000 1.056 251 I CA -0.907 60.448 61.300 0.092 0.000 1.057 251 I CB 2.185 40.228 38.000 0.072 0.000 1.240 251 I HN 0.581 nan 8.210 nan 0.000 0.423 252 D N 6.911 127.358 120.400 0.079 0.000 2.416 252 D HA 0.132 4.774 4.640 0.002 0.000 0.240 252 D C 1.422 177.739 176.300 0.028 0.000 1.250 252 D CA 0.050 54.106 54.000 0.093 0.000 0.967 252 D CB 0.595 41.434 40.800 0.065 0.000 1.059 252 D HN 0.513 nan 8.370 nan 0.000 0.512 253 I N -1.131 119.439 120.570 0.000 0.000 2.493 253 I HA -0.192 3.979 4.170 0.002 0.000 0.254 253 I C 1.442 177.421 176.117 -0.230 0.000 1.160 253 I CA 0.681 61.915 61.300 -0.110 0.000 1.445 253 I CB -0.080 37.844 38.000 -0.128 0.000 1.086 253 I HN 0.017 nan 8.210 nan 0.000 0.433 254 V N 0.949 120.782 119.914 -0.135 0.000 2.446 254 V HA -0.107 4.014 4.120 0.002 0.000 0.244 254 V C 2.642 178.708 176.094 -0.047 0.000 1.039 254 V CA 1.327 63.562 62.300 -0.109 0.000 1.045 254 V CB -0.150 31.695 31.823 0.036 0.000 0.681 254 V HN 0.346 nan 8.190 nan 0.000 0.459 255 V N 0.685 120.592 119.914 -0.011 0.000 2.307 255 V HA -0.220 3.901 4.120 0.002 0.000 0.245 255 V C 2.730 178.811 176.094 -0.022 0.000 1.045 255 V CA 2.124 64.426 62.300 0.002 0.000 1.024 255 V CB -1.121 30.713 31.823 0.018 0.000 0.651 255 V HN 0.533 nan 8.190 nan 0.000 0.449 256 A N -0.887 121.910 122.820 -0.040 0.000 1.873 256 A HA 0.379 4.701 4.320 0.002 0.000 0.215 256 A C 1.511 179.061 177.584 -0.057 0.000 1.186 256 A CA 1.662 53.677 52.037 -0.037 0.000 0.616 256 A CB -0.815 18.168 19.000 -0.027 0.000 0.823 256 A HN 1.358 nan 8.150 nan 0.000 0.442 257 G N -3.795 104.920 108.800 -0.141 0.000 2.655 257 G HA2 -0.194 3.768 3.960 0.002 0.000 0.680 257 G HA3 -0.194 3.768 3.960 0.002 0.000 0.680 257 G C 0.132 174.944 174.900 -0.147 0.000 1.302 257 G CA -0.081 44.882 45.100 -0.228 0.000 0.872 257 G HN 0.506 nan 8.290 nan 0.000 0.540 258 W N -0.058 121.267 121.300 0.042 0.000 2.436 258 W HA 0.135 4.796 4.660 0.002 0.000 0.284 258 W C 2.998 179.537 176.519 0.035 0.000 1.225 258 W CA 1.309 58.661 57.345 0.012 0.000 1.271 258 W CB -0.139 29.285 29.460 -0.059 0.000 1.114 258 W HN 0.675 nan 8.180 nan 0.000 0.559 259 S N 0.567 116.409 115.700 0.236 0.000 2.368 259 S HA -0.179 4.293 4.470 0.002 0.000 0.225 259 S C 1.999 176.694 174.600 0.158 0.000 1.030 259 S CA 1.680 59.981 58.200 0.168 0.000 0.999 259 S CB -0.544 62.723 63.200 0.113 0.000 0.844 259 S HN 0.147 nan 8.310 nan 0.000 0.459 260 A N 1.410 124.306 122.820 0.127 0.000 1.930 260 A HA 0.090 4.411 4.320 0.002 0.000 0.217 260 A C 2.263 179.946 177.584 0.165 0.000 1.175 260 A CA 1.263 53.383 52.037 0.138 0.000 0.627 260 A CB -0.775 18.271 19.000 0.077 0.000 0.815 260 A HN 0.585 nan 8.150 nan 0.000 0.443 261 L N -0.659 120.654 121.223 0.150 0.000 2.027 261 L HA -0.230 4.111 4.340 0.002 0.000 0.206 261 L C 2.820 179.800 176.870 0.185 0.000 1.074 261 L CA 1.711 56.647 54.840 0.159 0.000 0.745 261 L CB -0.498 41.675 42.059 0.190 0.000 0.898 261 L HN 0.527 nan 8.230 nan 0.000 0.433 262 Q N -1.156 118.777 119.800 0.221 0.000 2.061 262 Q HA -0.296 4.046 4.340 0.002 0.000 0.204 262 Q C 2.052 178.150 176.000 0.163 0.000 0.984 262 Q CA 2.220 58.137 55.803 0.191 0.000 0.846 262 Q CB -0.405 28.444 28.738 0.185 0.000 0.902 262 Q HN 0.517 nan 8.270 nan 0.000 0.421 263 Y N 0.872 121.208 120.300 0.061 0.000 2.181 263 Y HA -0.217 4.335 4.550 0.002 0.000 0.288 263 Y C 2.111 178.033 175.900 0.037 0.000 1.146 263 Y CA 1.294 59.416 58.100 0.036 0.000 1.164 263 Y CB -0.095 38.380 38.460 0.025 0.000 0.982 263 Y HN 0.057 nan 8.280 nan 0.000 0.515 264 M N -0.022 119.554 119.600 -0.040 0.000 2.267 264 M HA -0.181 4.300 4.480 0.002 0.000 0.263 264 M C 2.191 178.425 176.300 -0.110 0.000 1.063 264 M CA 1.510 56.735 55.300 -0.124 0.000 1.090 264 M CB -1.124 31.485 32.600 0.015 0.000 1.392 264 M HN 0.243 nan 8.290 nan 0.000 0.422 265 R N 0.916 121.395 120.500 -0.034 0.000 2.148 265 R HA -0.100 4.241 4.340 0.002 0.000 0.227 265 R C 1.815 178.075 176.300 -0.067 0.000 1.103 265 R CA 1.273 57.371 56.100 -0.004 0.000 0.983 265 R CB -0.126 30.210 30.300 0.059 0.000 0.874 265 R HN 0.294 nan 8.270 nan 0.000 0.451 266 E N -0.329 119.782 120.200 -0.149 0.000 2.112 266 E HA -0.069 4.283 4.350 0.002 0.000 0.190 266 E C 2.021 178.492 176.600 -0.216 0.000 0.979 266 E CA 1.141 57.439 56.400 -0.171 0.000 0.814 266 E CB -0.256 29.340 29.700 -0.174 0.000 0.762 266 E HN 0.197 nan 8.360 nan 0.000 0.460 267 V N 2.001 121.710 119.914 -0.341 0.000 2.295 267 V HA -0.245 3.877 4.120 0.002 0.000 0.246 267 V C 2.701 178.724 176.094 -0.119 0.000 1.049 267 V CA 2.402 64.545 62.300 -0.262 0.000 1.024 267 V CB -1.198 30.436 31.823 -0.313 0.000 0.648 267 V HN 0.424 nan 8.190 nan 0.000 0.447 268 T N -1.804 112.704 114.554 -0.076 0.000 2.995 268 T HA -0.173 4.179 4.350 0.002 0.000 0.269 268 T C 1.670 176.376 174.700 0.010 0.000 1.091 268 T CA 1.389 63.489 62.100 -0.000 0.000 1.128 268 T CB -0.208 68.692 68.868 0.052 0.000 0.891 268 T HN 0.450 nan 8.240 nan 0.000 0.492 269 E N 2.048 122.230 120.200 -0.030 0.000 2.051 269 E HA -0.157 4.194 4.350 0.002 0.000 0.192 269 E C 1.693 178.267 176.600 -0.043 0.000 0.991 269 E CA 1.592 57.965 56.400 -0.045 0.000 0.799 269 E CB -0.586 29.078 29.700 -0.060 0.000 0.748 269 E HN 0.438 nan 8.360 nan 0.000 0.449 270 D N -0.571 119.800 120.400 -0.047 0.000 2.219 270 D HA -0.069 4.572 4.640 0.002 0.000 0.205 270 D C 1.405 177.691 176.300 -0.023 0.000 0.970 270 D CA 0.788 54.765 54.000 -0.038 0.000 0.851 270 D CB 0.113 40.886 40.800 -0.045 0.000 0.943 270 D HN 0.290 nan 8.370 nan 0.000 0.488 271 L N -1.155 120.060 121.223 -0.014 0.000 2.693 271 L HA 0.279 4.620 4.340 0.002 0.000 0.235 271 L C 1.105 177.983 176.870 0.014 0.000 1.127 271 L CA 0.089 54.924 54.840 -0.009 0.000 0.914 271 L CB 0.432 42.481 42.059 -0.016 0.000 1.193 271 L HN 0.011 nan 8.230 nan 0.000 0.502 272 G N 1.524 110.360 108.800 0.059 0.000 2.225 272 G HA2 -0.264 3.697 3.960 0.002 0.000 0.264 272 G HA3 -0.264 3.697 3.960 0.002 0.000 0.264 272 G C -0.176 174.835 174.900 0.185 0.000 1.060 272 G CA -0.064 45.136 45.100 0.168 0.000 0.833 272 G HN 0.221 nan 8.290 nan 0.000 0.498 273 L N 0.105 121.431 121.223 0.172 0.000 2.307 273 L HA 0.777 5.119 4.340 0.002 0.000 0.284 273 L C 0.874 177.881 176.870 0.228 0.000 1.023 273 L CA -0.586 54.300 54.840 0.076 0.000 0.810 273 L CB 1.812 43.904 42.059 0.056 0.000 1.231 273 L HN 0.321 nan 8.230 nan 0.000 0.423 274 A N 4.428 127.243 122.820 -0.009 0.000 2.322 274 A HA 0.655 4.976 4.320 0.002 0.000 0.269 274 A C -0.288 177.451 177.584 0.259 0.000 1.094 274 A CA -0.312 51.816 52.037 0.153 0.000 0.807 274 A CB 0.252 19.140 19.000 -0.186 0.000 1.047 274 A HN 0.664 nan 8.150 nan 0.000 0.487 275 I N 1.511 122.270 120.570 0.314 0.000 2.339 275 I HA 0.199 4.370 4.170 0.002 0.000 0.290 275 I C -0.302 176.035 176.117 0.367 0.000 0.994 275 I CA -0.333 61.148 61.300 0.303 0.000 1.191 275 I CB 1.309 39.439 38.000 0.216 0.000 1.343 275 I HN 0.830 nan 8.210 nan 0.000 0.458 276 H N 6.339 125.581 119.070 0.287 0.000 2.556 276 H HA 0.628 5.185 4.556 0.002 0.000 0.310 276 H C -0.612 174.826 175.328 0.184 0.000 1.057 276 H CA -0.533 55.643 56.048 0.214 0.000 1.264 276 H CB 1.205 31.046 29.762 0.131 0.000 1.404 276 H HN 0.670 nan 8.280 nan 0.000 0.462 277 A N 6.072 128.722 122.820 -0.283 0.000 2.252 277 A HA 0.234 4.556 4.320 0.002 0.000 0.309 277 A C -0.687 176.787 177.584 -0.185 0.000 1.285 277 A CA -0.576 51.378 52.037 -0.138 0.000 0.900 277 A CB -0.021 18.967 19.000 -0.019 0.000 1.157 277 A HN 0.898 nan 8.150 nan 0.000 0.536 278 H N 2.538 121.565 119.070 -0.071 0.000 2.467 278 H HA 0.357 4.915 4.556 0.002 0.000 0.331 278 H C 0.616 175.966 175.328 0.037 0.000 1.120 278 H CA -0.317 55.789 56.048 0.096 0.000 1.270 278 H CB 1.133 30.958 29.762 0.106 0.000 1.466 278 H HN 0.797 nan 8.280 nan 0.000 0.504 279 R N 2.742 123.141 120.500 -0.169 0.000 2.586 279 R HA 0.437 4.779 4.340 0.002 0.000 0.336 279 R C 0.027 176.392 176.300 0.109 0.000 1.060 279 R CA -0.497 55.574 56.100 -0.047 0.000 1.079 279 R CB 0.249 30.432 30.300 -0.194 0.000 1.317 279 R HN 0.336 nan 8.270 nan 0.000 0.568 280 A N 1.539 124.498 122.820 0.232 0.000 2.565 280 A HA 0.147 4.469 4.320 0.002 0.000 0.237 280 A C 0.979 178.606 177.584 0.073 0.000 1.053 280 A CA 0.858 53.013 52.037 0.197 0.000 0.755 280 A CB -0.033 19.112 19.000 0.241 0.000 0.980 280 A HN 0.828 nan 8.150 nan 0.000 0.506 281 M N 0.308 119.888 119.600 -0.034 0.000 2.970 281 M HA -0.335 4.146 4.480 0.002 0.000 0.200 281 M C 1.170 177.272 176.300 -0.330 0.000 0.608 281 M CA 2.150 57.377 55.300 -0.122 0.000 0.764 281 M CB -2.094 30.494 32.600 -0.021 0.000 2.736 281 M HN 1.324 nan 8.290 nan 0.000 0.287 282 H N -0.079 118.779 119.070 -0.352 0.000 2.368 282 H HA -0.040 4.517 4.556 0.002 0.000 0.292 282 H C 1.672 176.542 175.328 -0.764 0.000 1.117 282 H CA 2.632 58.275 56.048 -0.675 0.000 1.231 282 H CB -0.925 28.633 29.762 -0.340 0.000 1.359 282 H HN 0.574 nan 8.280 nan 0.000 0.490 283 A N 1.095 123.181 122.820 -1.223 0.000 2.121 283 A HA 0.152 4.474 4.320 0.002 0.000 0.218 283 A C 2.654 179.984 177.584 -0.424 0.000 1.154 283 A CA 1.087 52.655 52.037 -0.781 0.000 0.679 283 A CB -1.121 17.467 19.000 -0.686 0.000 0.795 283 A HN 0.774 nan 8.150 nan 0.000 0.458 284 A N -0.185 122.392 122.820 -0.405 0.000 1.986 284 A HA -0.015 4.306 4.320 0.002 0.000 0.220 284 A C 1.620 179.171 177.584 -0.056 0.000 1.171 284 A CA 1.764 53.695 52.037 -0.177 0.000 0.640 284 A CB -0.649 18.308 19.000 -0.071 0.000 0.811 284 A HN 1.190 nan 8.150 nan 0.000 0.451 285 F N -2.886 117.032 119.950 -0.053 0.000 2.798 285 F HA 0.262 4.791 4.527 0.003 0.000 0.328 285 F C 1.372 177.154 175.800 -0.029 0.000 1.098 285 F CA 0.598 58.559 58.000 -0.064 0.000 1.172 285 F CB -0.481 38.448 39.000 -0.118 0.000 1.072 285 F HN 0.046 nan 8.300 nan 0.000 0.555 286 T N -3.002 111.501 114.554 -0.085 0.000 3.023 286 T HA 0.227 4.578 4.350 0.002 0.000 0.253 286 T C 1.686 176.415 174.700 0.048 0.000 1.038 286 T CA 0.229 62.370 62.100 0.069 0.000 0.962 286 T CB -0.012 68.934 68.868 0.129 0.000 1.018 286 T HN 0.359 nan 8.240 nan 0.000 0.521 287 R N 1.437 121.932 120.500 -0.009 0.000 2.090 287 R HA 0.173 4.514 4.340 0.002 0.000 0.219 287 R C 0.690 177.003 176.300 0.021 0.000 1.100 287 R CA 0.225 56.323 56.100 -0.003 0.000 0.991 287 R CB -0.128 30.140 30.300 -0.053 0.000 0.893 287 R HN 0.261 nan 8.270 nan 0.000 0.443 288 N N 1.873 120.597 118.700 0.039 0.000 2.438 288 N HA -0.005 4.737 4.740 0.002 0.000 0.267 288 N C -1.926 173.623 175.510 0.066 0.000 1.222 288 N CA -1.559 51.528 53.050 0.062 0.000 0.930 288 N CB 1.517 40.067 38.487 0.105 0.000 1.083 288 N HN 0.094 nan 8.380 nan 0.000 0.476 289 P HA -0.026 nan 4.420 nan 0.000 0.234 289 P C 0.415 177.685 177.300 -0.050 0.000 1.167 289 P CA 0.981 64.070 63.100 -0.017 0.000 0.763 289 P CB 0.408 32.079 31.700 -0.049 0.000 0.835 290 R N -2.159 118.383 120.500 0.070 0.000 2.282 290 R HA 0.170 4.512 4.340 0.002 0.000 0.195 290 R C 0.863 177.412 176.300 0.415 0.000 0.909 290 R CA 0.139 56.370 56.100 0.218 0.000 1.039 290 R CB 0.244 30.704 30.300 0.267 0.000 1.015 290 R HN 0.294 nan 8.270 nan 0.000 0.513 291 H N -0.630 118.553 119.070 0.189 0.000 2.954 291 H HA 0.383 4.940 4.556 0.002 0.000 0.361 291 H C -0.346 175.052 175.328 0.116 0.000 1.122 291 H CA 0.440 56.607 56.048 0.197 0.000 1.217 291 H CB 2.064 31.914 29.762 0.147 0.000 1.776 291 H HN 0.297 nan 8.280 nan 0.000 0.533 292 G N 3.315 111.903 108.800 -0.355 0.000 2.341 292 G HA2 -0.077 3.885 3.960 0.002 0.000 0.196 292 G HA3 -0.077 3.885 3.960 0.002 0.000 0.196 292 G C -1.470 173.364 174.900 -0.110 0.000 1.231 292 G CA -0.301 44.543 45.100 -0.428 0.000 1.155 292 G HN 0.560 nan 8.290 nan 0.000 0.529 293 I N 1.745 122.355 120.570 0.065 0.000 2.465 293 I HA 0.472 4.643 4.170 0.002 0.000 0.291 293 I C 1.029 177.287 176.117 0.234 0.000 1.014 293 I CA -0.460 60.948 61.300 0.179 0.000 1.093 293 I CB 2.224 40.320 38.000 0.161 0.000 1.267 293 I HN 0.856 nan 8.210 nan 0.000 0.431 294 T N 1.702 116.347 114.554 0.152 0.000 2.860 294 T HA 0.099 4.451 4.350 0.002 0.000 0.299 294 T C 0.849 175.632 174.700 0.137 0.000 1.045 294 T CA -0.545 61.623 62.100 0.113 0.000 1.071 294 T CB 1.047 69.940 68.868 0.042 0.000 0.985 294 T HN 0.620 nan 8.240 nan 0.000 0.537 295 M N 1.393 121.049 119.600 0.094 0.000 2.213 295 M HA 0.052 4.533 4.480 0.002 0.000 0.263 295 M C 1.655 177.981 176.300 0.043 0.000 1.062 295 M CA 1.159 56.499 55.300 0.068 0.000 1.105 295 M CB -1.262 31.335 32.600 -0.005 0.000 1.385 295 M HN 0.743 nan 8.290 nan 0.000 0.417 296 L N 0.322 121.538 121.223 -0.011 0.000 2.017 296 L HA -0.002 4.340 4.340 0.002 0.000 0.208 296 L C 2.293 179.073 176.870 -0.149 0.000 1.073 296 L CA 2.302 57.072 54.840 -0.117 0.000 0.745 296 L CB -1.375 40.578 42.059 -0.176 0.000 0.894 296 L HN 0.300 nan 8.230 nan 0.000 0.432 297 A N -0.511 122.292 122.820 -0.029 0.000 1.902 297 A HA -0.210 4.111 4.320 0.002 0.000 0.217 297 A C 2.391 180.153 177.584 0.297 0.000 1.181 297 A CA 2.009 54.119 52.037 0.121 0.000 0.623 297 A CB -1.036 18.069 19.000 0.175 0.000 0.818 297 A HN 0.561 nan 8.150 nan 0.000 0.443 298 L N -0.803 120.606 121.223 0.310 0.000 2.046 298 L HA -0.165 4.176 4.340 0.002 0.000 0.208 298 L C 2.848 179.942 176.870 0.373 0.000 1.077 298 L CA 1.470 56.585 54.840 0.458 0.000 0.747 298 L CB -0.347 41.967 42.059 0.425 0.000 0.896 298 L HN 0.405 nan 8.230 nan 0.000 0.432 299 A N -0.227 122.721 122.820 0.214 0.000 1.898 299 A HA -0.261 4.060 4.320 0.002 0.000 0.216 299 A C 2.345 180.087 177.584 0.264 0.000 1.181 299 A CA 1.912 54.078 52.037 0.215 0.000 0.620 299 A CB -0.478 18.625 19.000 0.172 0.000 0.819 299 A HN 0.475 nan 8.150 nan 0.000 0.442 300 K N -0.193 120.229 120.400 0.037 0.000 2.002 300 K HA -0.069 4.252 4.320 0.002 0.000 0.209 300 K C 2.176 178.908 176.600 0.220 0.000 1.048 300 K CA 1.323 57.556 56.287 -0.090 0.000 0.930 300 K CB -0.406 31.585 32.500 -0.849 0.000 0.714 300 K HN 0.306 nan 8.250 nan 0.000 0.438 301 A N 1.177 124.155 122.820 0.263 0.000 1.892 301 A HA -0.177 4.144 4.320 0.002 0.000 0.218 301 A C 2.390 180.023 177.584 0.081 0.000 1.188 301 A CA 2.216 54.275 52.037 0.036 0.000 0.631 301 A CB -1.075 17.595 19.000 -0.550 0.000 0.822 301 A HN 0.542 nan 8.150 nan 0.000 0.447 302 A N -0.429 122.575 122.820 0.307 0.000 1.902 302 A HA -0.182 4.140 4.320 0.002 0.000 0.217 302 A C 2.247 179.997 177.584 0.276 0.000 1.181 302 A CA 1.922 54.187 52.037 0.380 0.000 0.623 302 A CB -0.512 18.707 19.000 0.365 0.000 0.818 302 A HN 0.593 nan 8.150 nan 0.000 0.443 303 R N -0.886 119.792 120.500 0.296 0.000 2.081 303 R HA -0.107 4.235 4.340 0.002 0.000 0.235 303 R C 2.165 178.612 176.300 0.245 0.000 1.131 303 R CA 1.906 58.175 56.100 0.282 0.000 0.960 303 R CB -0.337 30.178 30.300 0.358 0.000 0.856 303 R HN 0.552 nan 8.270 nan 0.000 0.436 304 M N 0.050 119.798 119.600 0.247 0.000 2.067 304 M HA -0.172 4.309 4.480 0.002 0.000 0.260 304 M C 2.265 178.629 176.300 0.107 0.000 1.069 304 M CA 1.781 57.106 55.300 0.042 0.000 1.117 304 M CB -0.280 32.195 32.600 -0.208 0.000 1.334 304 M HN 0.181 nan 8.290 nan 0.000 0.407 305 I N -0.496 120.165 120.570 0.153 0.000 2.163 305 I HA -0.194 3.977 4.170 0.002 0.000 0.243 305 I C 1.117 177.359 176.117 0.207 0.000 1.085 305 I CA 1.449 62.914 61.300 0.276 0.000 1.347 305 I CB -0.461 37.697 38.000 0.263 0.000 1.044 305 I HN 0.608 nan 8.210 nan 0.000 0.408 306 G N 1.078 109.988 108.800 0.184 0.000 2.441 306 G HA2 -0.030 3.932 3.960 0.002 0.000 0.139 306 G HA3 -0.030 3.932 3.960 0.002 0.000 0.139 306 G C -0.091 174.909 174.900 0.167 0.000 1.067 306 G CA -0.240 44.953 45.100 0.154 0.000 0.766 306 G HN 0.293 nan 8.290 nan 0.000 0.484 307 V N -2.034 117.991 119.914 0.184 0.000 2.811 307 V HA 0.523 4.645 4.120 0.002 0.000 0.302 307 V C 0.842 177.053 176.094 0.195 0.000 1.063 307 V CA 0.684 63.096 62.300 0.187 0.000 1.088 307 V CB 1.426 33.350 31.823 0.168 0.000 0.982 307 V HN 0.225 nan 8.190 nan 0.000 0.485 308 D N 1.694 122.238 120.400 0.239 0.000 2.355 308 D HA 0.121 4.763 4.640 0.002 0.000 0.206 308 D C 0.412 176.891 176.300 0.299 0.000 1.010 308 D CA 0.699 54.860 54.000 0.269 0.000 0.875 308 D CB 0.748 41.752 40.800 0.339 0.000 0.966 308 D HN 0.753 nan 8.370 nan 0.000 0.512 309 Q N 0.443 120.415 119.800 0.287 0.000 2.345 309 Q HA 0.618 4.959 4.340 0.002 0.000 0.275 309 Q C -1.260 174.798 176.000 0.097 0.000 1.063 309 Q CA -0.399 55.568 55.803 0.273 0.000 0.819 309 Q CB 3.488 32.473 28.738 0.411 0.000 1.356 309 Q HN 0.025 nan 8.270 nan 0.000 0.418 310 I N 0.836 121.425 120.570 0.032 0.000 2.752 310 I HA 0.296 4.467 4.170 0.002 0.000 0.295 310 I C -0.926 175.127 176.117 -0.106 0.000 1.219 310 I CA -0.734 60.524 61.300 -0.070 0.000 1.030 310 I CB 1.851 39.864 38.000 0.022 0.000 1.259 310 I HN 0.700 nan 8.210 nan 0.000 0.423 311 H N 5.052 124.055 119.070 -0.111 0.000 2.964 311 H HA 0.131 4.689 4.556 0.003 0.000 0.328 311 H C 0.497 175.734 175.328 -0.150 0.000 1.030 311 H CA 0.947 56.916 56.048 -0.132 0.000 1.445 311 H CB 1.033 30.648 29.762 -0.245 0.000 1.449 311 H HN 0.704 nan 8.280 nan 0.000 0.581 312 T N -0.227 114.315 114.554 -0.021 0.000 2.969 312 T HA 0.371 4.722 4.350 0.002 0.000 0.258 312 T C 0.884 175.532 174.700 -0.087 0.000 0.962 312 T CA 0.191 62.247 62.100 -0.075 0.000 0.903 312 T CB 0.954 69.784 68.868 -0.062 0.000 1.177 312 T HN 0.923 nan 8.240 nan 0.000 0.511 313 G N 0.881 109.637 108.800 -0.075 0.000 2.440 313 G HA2 0.360 4.322 3.960 0.002 0.000 0.684 313 G HA3 0.360 4.322 3.960 0.002 0.000 0.684 313 G C -0.519 174.292 174.900 -0.149 0.000 1.309 313 G CA -0.178 44.879 45.100 -0.072 0.000 0.931 313 G HN 1.237 nan 8.290 nan 0.000 0.612 314 T N -2.363 112.135 114.554 -0.093 0.000 2.838 314 T HA 1.007 5.358 4.350 0.002 0.000 0.292 314 T C -0.201 174.537 174.700 0.063 0.000 1.113 314 T CA 0.252 62.281 62.100 -0.118 0.000 1.008 314 T CB 1.843 70.679 68.868 -0.054 0.000 1.259 314 T HN 2.495 nan 8.240 nan 0.000 0.520 315 A N 0.682 123.624 122.820 0.203 0.000 2.343 315 A HA 0.811 5.132 4.320 0.002 0.000 0.308 315 A C -1.051 176.641 177.584 0.180 0.000 1.092 315 A CA -0.753 51.449 52.037 0.275 0.000 0.751 315 A CB 1.224 20.498 19.000 0.456 0.000 1.203 315 A HN 1.264 nan 8.150 nan 0.000 0.452 316 V N 1.850 121.832 119.914 0.113 0.000 2.851 316 V HA 0.360 4.481 4.120 0.002 0.000 0.290 316 V C 1.159 177.292 176.094 0.066 0.000 1.330 316 V CA -0.089 62.254 62.300 0.073 0.000 0.944 316 V CB 1.501 33.364 31.823 0.067 0.000 1.090 316 V HN 1.280 nan 8.190 nan 0.000 0.436 317 G N 2.438 111.273 108.800 0.060 0.000 2.485 317 G HA2 -0.228 3.733 3.960 0.002 0.000 0.221 317 G HA3 -0.228 3.733 3.960 0.002 0.000 0.221 317 G C 1.140 176.077 174.900 0.062 0.000 1.115 317 G CA 1.578 46.713 45.100 0.059 0.000 0.751 317 G HN 0.678 nan 8.290 nan 0.000 0.567 318 K N -1.578 118.867 120.400 0.074 0.000 2.172 318 K HA 0.299 4.620 4.320 0.002 0.000 0.203 318 K C 1.857 178.490 176.600 0.054 0.000 1.040 318 K CA -0.149 56.174 56.287 0.061 0.000 0.974 318 K CB -0.047 32.492 32.500 0.065 0.000 0.857 318 K HN 0.207 nan 8.250 nan 0.000 0.464 319 M N 0.768 120.405 119.600 0.061 0.000 2.274 319 M HA 0.285 4.766 4.480 0.002 0.000 0.206 319 M C -1.020 175.316 176.300 0.059 0.000 1.189 319 M CA 1.389 56.722 55.300 0.055 0.000 1.794 319 M CB 0.218 32.850 32.600 0.054 0.000 1.068 319 M HN 0.280 nan 8.290 nan 0.000 0.867 320 A N -0.481 122.378 122.820 0.066 0.000 2.435 320 A HA 0.363 4.685 4.320 0.002 0.000 0.686 320 A C -0.047 177.585 177.584 0.081 0.000 0.138 320 A CA -0.024 52.065 52.037 0.088 0.000 0.026 320 A CB -2.321 16.738 19.000 0.098 0.000 3.973 320 A HN 1.298 nan 8.150 nan 0.000 0.548 321 G N 1.085 109.938 108.800 0.088 0.000 2.583 321 G HA2 0.556 4.517 3.960 0.002 0.000 0.280 321 G HA3 0.556 4.517 3.960 0.002 0.000 0.280 321 G C 0.159 175.125 174.900 0.111 0.000 1.376 321 G CA -0.049 45.098 45.100 0.080 0.000 1.043 321 G HN 1.542 nan 8.290 nan 0.000 0.538 322 N N -0.782 117.972 118.700 0.090 0.000 2.429 322 N HA -0.044 4.697 4.740 0.002 0.000 0.271 322 N C 0.881 176.475 175.510 0.141 0.000 1.272 322 N CA -0.133 52.980 53.050 0.105 0.000 0.921 322 N CB 0.246 38.771 38.487 0.062 0.000 1.128 322 N HN 0.526 nan 8.380 nan 0.000 0.481 323 Y N 4.200 124.559 120.300 0.098 0.000 2.081 323 Y HA -0.244 4.307 4.550 0.001 0.000 0.280 323 Y C 1.633 177.606 175.900 0.121 0.000 1.163 323 Y CA 1.718 59.901 58.100 0.139 0.000 1.135 323 Y CB 0.118 38.620 38.460 0.070 0.000 0.970 323 Y HN 0.594 nan 8.280 nan 0.000 0.498 324 E N 0.499 120.628 120.200 -0.119 0.000 2.085 324 E HA -0.285 4.066 4.350 0.002 0.000 0.194 324 E C 2.106 178.596 176.600 -0.184 0.000 0.994 324 E CA 1.727 58.000 56.400 -0.211 0.000 0.801 324 E CB -0.386 29.320 29.700 0.011 0.000 0.743 324 E HN 0.791 nan 8.360 nan 0.000 0.453 325 E N 0.735 120.885 120.200 -0.082 0.000 2.047 325 E HA -0.138 4.214 4.350 0.002 0.000 0.191 325 E C 2.276 178.841 176.600 -0.059 0.000 0.987 325 E CA 0.765 57.135 56.400 -0.051 0.000 0.799 325 E CB -0.151 29.541 29.700 -0.012 0.000 0.752 325 E HN 0.173 nan 8.360 nan 0.000 0.449 326 I N 0.809 121.349 120.570 -0.051 0.000 2.208 326 I HA -0.248 3.924 4.170 0.002 0.000 0.245 326 I C 2.571 178.684 176.117 -0.007 0.000 1.097 326 I CA 1.290 62.576 61.300 -0.023 0.000 1.363 326 I CB -0.210 37.804 38.000 0.023 0.000 1.051 326 I HN 0.089 nan 8.210 nan 0.000 0.413 327 K N 1.282 121.616 120.400 -0.111 0.000 2.148 327 K HA -0.171 4.150 4.320 0.002 0.000 0.204 327 K C 2.156 178.715 176.600 -0.068 0.000 1.050 327 K CA 1.281 57.500 56.287 -0.113 0.000 0.942 327 K CB -0.214 31.963 32.500 -0.537 0.000 0.724 327 K HN 0.092 nan 8.250 nan 0.000 0.446 328 R N 0.076 120.524 120.500 -0.086 0.000 2.075 328 R HA -0.009 4.333 4.340 0.002 0.000 0.232 328 R C 2.082 178.389 176.300 0.012 0.000 1.126 328 R CA 1.661 57.738 56.100 -0.037 0.000 0.963 328 R CB -0.255 30.015 30.300 -0.049 0.000 0.858 328 R HN 0.232 nan 8.270 nan 0.000 0.435 329 I N 0.760 121.337 120.570 0.012 0.000 2.202 329 I HA -0.269 3.903 4.170 0.002 0.000 0.242 329 I C 1.843 178.022 176.117 0.103 0.000 1.091 329 I CA 1.567 62.904 61.300 0.061 0.000 1.368 329 I CB -0.468 37.547 38.000 0.026 0.000 1.058 329 I HN 0.332 nan 8.210 nan 0.000 0.410 330 N N 0.689 119.425 118.700 0.059 0.000 2.120 330 N HA -0.201 4.541 4.740 0.002 0.000 0.188 330 N C 1.360 176.891 175.510 0.035 0.000 1.024 330 N CA 1.336 54.419 53.050 0.056 0.000 0.852 330 N CB -0.114 38.428 38.487 0.091 0.000 1.003 330 N HN 0.307 nan 8.380 nan 0.000 0.424 331 D N 0.818 121.242 120.400 0.039 0.000 2.104 331 D HA -0.165 4.476 4.640 0.002 0.000 0.194 331 D C 1.629 177.915 176.300 -0.023 0.000 0.994 331 D CA 0.751 54.758 54.000 0.010 0.000 0.830 331 D CB -0.477 40.331 40.800 0.013 0.000 0.959 331 D HN 0.196 nan 8.370 nan 0.000 0.452 332 F N 1.288 121.178 119.950 -0.100 0.000 2.126 332 F HA -0.147 4.381 4.527 0.002 0.000 0.299 332 F C 2.028 177.749 175.800 -0.131 0.000 1.096 332 F CA 1.185 59.087 58.000 -0.163 0.000 1.255 332 F CB -0.389 38.482 39.000 -0.215 0.000 0.997 332 F HN -0.089 nan 8.300 nan 0.000 0.479 333 L N -0.277 120.735 121.223 -0.351 0.000 2.201 333 L HA -0.152 4.190 4.340 0.002 0.000 0.212 333 L C 2.127 178.798 176.870 -0.332 0.000 1.105 333 L CA 0.836 55.434 54.840 -0.403 0.000 0.775 333 L CB -0.446 41.566 42.059 -0.078 0.000 0.913 333 L HN 0.237 nan 8.230 nan 0.000 0.440 334 L N -1.049 120.036 121.223 -0.230 0.000 2.529 334 L HA 0.082 4.423 4.340 0.002 0.000 0.223 334 L C 1.351 178.123 176.870 -0.165 0.000 1.113 334 L CA -0.298 54.442 54.840 -0.166 0.000 0.861 334 L CB -0.067 41.938 42.059 -0.091 0.000 1.012 334 L HN 0.220 nan 8.230 nan 0.000 0.461 335 S N 0.201 115.769 115.700 -0.221 0.000 2.572 335 S HA 0.082 4.553 4.470 0.002 0.000 0.279 335 S C 0.066 174.603 174.600 -0.106 0.000 1.341 335 S CA -0.603 57.504 58.200 -0.154 0.000 1.043 335 S CB 0.986 64.082 63.200 -0.174 0.000 0.887 335 S HN 0.128 nan 8.310 nan 0.000 0.516 336 K N 1.189 121.571 120.400 -0.031 0.000 2.451 336 K HA 0.090 4.411 4.320 0.002 0.000 0.280 336 K C -1.314 175.371 176.600 0.142 0.000 1.020 336 K CA -0.059 56.249 56.287 0.036 0.000 1.008 336 K CB 0.244 32.765 32.500 0.035 0.000 0.917 336 K HN 0.755 nan 8.250 nan 0.000 0.478 337 W N 7.031 128.283 121.300 -0.080 0.000 1.982 337 W HA 0.167 4.829 4.660 0.004 0.000 0.299 337 W C -0.709 175.766 176.519 -0.073 0.000 1.011 337 W CA -0.470 56.835 57.345 -0.066 0.000 1.324 337 W CB -0.304 29.091 29.460 -0.108 0.000 1.372 337 W HN 0.880 nan 8.180 nan 0.000 0.323 338 E N 0.305 120.557 120.200 0.086 0.000 3.304 338 E HA -0.367 3.984 4.350 0.002 0.000 0.365 338 E C 1.542 178.144 176.600 0.004 0.000 1.512 338 E CA 2.197 58.624 56.400 0.045 0.000 1.642 338 E CB -1.136 28.567 29.700 0.006 0.000 1.738 338 E HN 0.695 nan 8.360 nan 0.000 0.483 339 H N 1.275 120.303 119.070 -0.070 0.000 2.551 339 H HA 0.177 4.735 4.556 0.003 0.000 0.266 339 H C 1.009 176.289 175.328 -0.080 0.000 0.977 339 H CA 0.203 56.213 56.048 -0.063 0.000 1.163 339 H CB -0.023 29.695 29.762 -0.073 0.000 1.381 339 H HN 0.119 nan 8.280 nan 0.000 0.581 340 I N 3.373 123.681 120.570 -0.436 0.000 2.421 340 I HA 0.090 4.261 4.170 0.002 0.000 0.291 340 I C 0.692 176.755 176.117 -0.091 0.000 1.089 340 I CA -0.259 60.857 61.300 -0.307 0.000 1.354 340 I CB 0.106 37.840 38.000 -0.442 0.000 1.413 340 I HN 0.040 nan 8.210 nan 0.000 0.513 341 R N 7.625 128.097 120.500 -0.047 0.000 2.679 341 R HA 0.166 4.507 4.340 0.002 0.000 0.268 341 R C -2.066 174.212 176.300 -0.037 0.000 1.044 341 R CA -1.084 54.998 56.100 -0.030 0.000 1.105 341 R CB -0.047 30.242 30.300 -0.017 0.000 0.989 341 R HN 0.415 nan 8.270 nan 0.000 0.447 342 P HA 0.032 nan 4.420 nan 0.000 0.272 342 P C -0.706 176.528 177.300 -0.111 0.000 1.223 342 P CA -0.085 62.945 63.100 -0.116 0.000 0.784 342 P CB 0.795 32.408 31.700 -0.146 0.000 0.923 343 V N 3.463 123.315 119.914 -0.103 0.000 2.513 343 V HA 0.294 4.415 4.120 0.002 0.000 0.299 343 V C 0.275 176.360 176.094 -0.015 0.000 1.035 343 V CA -0.610 61.678 62.300 -0.020 0.000 0.889 343 V CB 0.810 32.655 31.823 0.036 0.000 0.988 343 V HN 0.380 nan 8.190 nan 0.000 0.440 344 F N 5.671 125.641 119.950 0.034 0.000 2.504 344 F HA 0.298 4.826 4.527 0.002 0.000 0.369 344 F C -1.800 174.005 175.800 0.008 0.000 1.082 344 F CA -1.611 56.401 58.000 0.022 0.000 1.216 344 F CB 1.037 40.061 39.000 0.039 0.000 1.108 344 F HN 0.321 nan 8.300 nan 0.000 0.554 345 P HA 0.052 nan 4.420 nan 0.000 0.271 345 P C -0.959 176.369 177.300 0.046 0.000 1.216 345 P CA -0.094 63.058 63.100 0.086 0.000 0.776 345 P CB 0.791 32.516 31.700 0.042 0.000 0.881 346 V N 2.879 122.767 119.914 -0.043 0.000 2.370 346 V HA 0.549 4.671 4.120 0.002 0.000 0.279 346 V C 0.431 176.486 176.094 -0.065 0.000 1.029 346 V CA -0.658 61.575 62.300 -0.112 0.000 0.870 346 V CB 0.870 32.503 31.823 -0.316 0.000 0.984 346 V HN 0.618 nan 8.190 nan 0.000 0.451 347 A N 4.003 126.785 122.820 -0.063 0.000 2.276 347 A HA 0.826 5.148 4.320 0.002 0.000 0.316 347 A C -0.030 177.559 177.584 0.009 0.000 1.229 347 A CA -0.302 51.694 52.037 -0.068 0.000 0.851 347 A CB 1.235 20.158 19.000 -0.128 0.000 1.165 347 A HN 0.755 nan 8.150 nan 0.000 0.513 348 S N 0.770 116.496 115.700 0.043 0.000 2.541 348 S HA 0.775 5.247 4.470 0.002 0.000 0.271 348 S C -0.471 174.154 174.600 0.043 0.000 1.133 348 S CA 0.252 58.497 58.200 0.075 0.000 0.876 348 S CB 1.620 64.918 63.200 0.163 0.000 1.105 348 S HN 2.426 nan 8.310 nan 0.000 0.470 349 G N 1.431 110.258 108.800 0.045 0.000 2.220 349 G HA2 0.448 4.410 3.960 0.002 0.000 0.221 349 G HA3 0.448 4.410 3.960 0.002 0.000 0.221 349 G C 0.690 175.622 174.900 0.054 0.000 2.189 349 G CA 0.204 45.329 45.100 0.043 0.000 1.153 349 G HN 1.928 nan 8.290 nan 0.000 0.621 350 G N -0.756 108.083 108.800 0.066 0.000 2.221 350 G HA2 -0.031 3.931 3.960 0.002 0.000 0.265 350 G HA3 -0.031 3.931 3.960 0.002 0.000 0.265 350 G C 0.330 175.311 174.900 0.134 0.000 1.041 350 G CA 0.498 45.656 45.100 0.096 0.000 0.807 350 G HN 1.376 nan 8.290 nan 0.000 0.502 351 L N 1.738 123.016 121.223 0.091 0.000 2.395 351 L HA 0.703 5.045 4.340 0.002 0.000 0.269 351 L C 0.880 177.822 176.870 0.120 0.000 1.133 351 L CA -0.638 54.230 54.840 0.047 0.000 0.812 351 L CB 0.833 42.898 42.059 0.011 0.000 1.125 351 L HN 0.594 nan 8.230 nan 0.000 0.452 352 H N 0.792 119.876 119.070 0.024 0.000 2.981 352 H HA 0.339 4.896 4.556 0.002 0.000 0.327 352 H C -2.706 172.638 175.328 0.027 0.000 1.342 352 H CA -1.719 54.343 56.048 0.025 0.000 1.123 352 H CB 0.813 30.590 29.762 0.025 0.000 1.851 352 H HN 0.195 nan 8.280 nan 0.000 0.531 353 P HA -0.097 nan 4.420 nan 0.000 0.215 353 P C 1.772 179.072 177.300 0.001 0.000 1.157 353 P CA 2.622 65.755 63.100 0.056 0.000 0.868 353 P CB -0.507 31.256 31.700 0.105 0.000 0.788 354 G N -0.345 108.493 108.800 0.063 0.000 2.532 354 G HA2 -0.230 3.732 3.960 0.002 0.000 0.222 354 G HA3 -0.230 3.732 3.960 0.002 0.000 0.222 354 G C 1.228 176.058 174.900 -0.117 0.000 1.102 354 G CA 0.607 45.714 45.100 0.013 0.000 0.742 354 G HN 0.273 nan 8.290 nan 0.000 0.577 355 L N 0.066 121.107 121.223 -0.303 0.000 2.591 355 L HA 0.196 4.538 4.340 0.002 0.000 0.228 355 L C 2.551 179.366 176.870 -0.092 0.000 1.133 355 L CA -0.314 54.395 54.840 -0.218 0.000 0.880 355 L CB -0.088 41.780 42.059 -0.319 0.000 1.033 355 L HN 0.098 nan 8.230 nan 0.000 0.450 356 M N 0.012 119.571 119.600 -0.067 0.000 2.156 356 M HA -0.029 4.453 4.480 0.002 0.000 0.264 356 M C -0.183 176.120 176.300 0.004 0.000 1.067 356 M CA 1.595 56.882 55.300 -0.021 0.000 1.131 356 M CB -1.896 30.695 32.600 -0.015 0.000 1.368 356 M HN 0.010 nan 8.290 nan 0.000 0.416 357 P HA -0.191 nan 4.420 nan 0.000 0.216 357 P C 1.388 178.696 177.300 0.014 0.000 1.153 357 P CA 1.477 64.580 63.100 0.006 0.000 0.858 357 P CB -0.134 31.566 31.700 -0.001 0.000 0.789 358 E N -0.785 119.422 120.200 0.012 0.000 2.122 358 E HA -0.111 4.240 4.350 0.002 0.000 0.190 358 E C 1.927 178.562 176.600 0.059 0.000 0.977 358 E CA 0.309 56.715 56.400 0.010 0.000 0.820 358 E CB -0.663 29.036 29.700 -0.001 0.000 0.770 358 E HN -0.026 nan 8.360 nan 0.000 0.462 359 L N 1.208 122.494 121.223 0.105 0.000 2.042 359 L HA -0.140 4.202 4.340 0.002 0.000 0.210 359 L C 2.098 179.113 176.870 0.242 0.000 1.076 359 L CA 1.652 56.631 54.840 0.232 0.000 0.749 359 L CB -0.222 41.923 42.059 0.145 0.000 0.893 359 L HN 0.278 nan 8.230 nan 0.000 0.432 360 I N -1.307 119.336 120.570 0.122 0.000 2.406 360 I HA -0.189 3.982 4.170 0.002 0.000 0.249 360 I C 2.660 178.819 176.117 0.070 0.000 1.122 360 I CA 0.793 62.156 61.300 0.104 0.000 1.431 360 I CB -0.275 37.763 38.000 0.064 0.000 1.087 360 I HN 0.229 nan 8.210 nan 0.000 0.424 361 R N 1.007 121.524 120.500 0.028 0.000 2.096 361 R HA -0.124 4.217 4.340 0.002 0.000 0.235 361 R C 2.207 178.473 176.300 -0.056 0.000 1.127 361 R CA 1.342 57.434 56.100 -0.013 0.000 0.968 361 R CB 0.000 30.280 30.300 -0.033 0.000 0.861 361 R HN 0.339 nan 8.270 nan 0.000 0.440 362 L N -1.301 119.857 121.223 -0.108 0.000 2.162 362 L HA 0.014 4.356 4.340 0.002 0.000 0.205 362 L C 1.170 177.809 176.870 -0.386 0.000 1.086 362 L CA 0.909 55.558 54.840 -0.319 0.000 0.778 362 L CB 0.071 41.796 42.059 -0.557 0.000 0.928 362 L HN 0.176 nan 8.230 nan 0.000 0.446 363 F N -0.859 119.153 119.950 0.102 0.000 2.706 363 F HA 0.395 4.923 4.527 0.001 0.000 0.313 363 F C 1.309 177.149 175.800 0.066 0.000 1.096 363 F CA 0.210 58.266 58.000 0.093 0.000 1.219 363 F CB 0.710 39.762 39.000 0.087 0.000 1.051 363 F HN 0.086 nan 8.300 nan 0.000 0.568 364 G N 1.098 110.013 108.800 0.191 0.000 2.660 364 G HA2 -0.237 3.724 3.960 0.002 0.000 0.215 364 G HA3 -0.237 3.724 3.960 0.002 0.000 0.215 364 G C 0.356 175.333 174.900 0.129 0.000 1.345 364 G CA -0.312 44.866 45.100 0.129 0.000 0.877 364 G HN 0.191 nan 8.290 nan 0.000 0.549 365 K N -0.287 120.176 120.400 0.106 0.000 2.360 365 K HA 0.132 4.454 4.320 0.002 0.000 0.196 365 K C -0.191 176.497 176.600 0.146 0.000 1.049 365 K CA 0.047 56.395 56.287 0.102 0.000 1.049 365 K CB 0.515 33.060 32.500 0.075 0.000 0.881 365 K HN 0.360 nan 8.250 nan 0.000 0.542 366 D N 1.986 122.485 120.400 0.165 0.000 2.563 366 D HA 0.237 4.878 4.640 0.002 0.000 0.222 366 D C -0.619 175.906 176.300 0.375 0.000 1.145 366 D CA 0.312 54.474 54.000 0.269 0.000 1.001 366 D CB 0.148 40.991 40.800 0.072 0.000 1.049 366 D HN 0.043 nan 8.370 nan 0.000 0.515 367 L N 0.366 121.787 121.223 0.330 0.000 2.434 367 L HA 0.435 4.777 4.340 0.002 0.000 0.260 367 L C -0.461 176.336 176.870 -0.122 0.000 0.983 367 L CA -1.218 53.712 54.840 0.149 0.000 0.820 367 L CB 2.594 44.692 42.059 0.065 0.000 1.361 367 L HN -0.208 nan 8.230 nan 0.000 0.410 368 V N 3.404 123.177 119.914 -0.235 0.000 2.383 368 V HA 0.375 4.496 4.120 0.002 0.000 0.275 368 V C 0.098 176.107 176.094 -0.142 0.000 1.036 368 V CA -0.186 61.945 62.300 -0.282 0.000 0.889 368 V CB 1.426 33.046 31.823 -0.338 0.000 0.985 368 V HN 0.438 nan 8.190 nan 0.000 0.459 369 I N 4.874 125.376 120.570 -0.113 0.000 2.307 369 I HA 0.311 4.483 4.170 0.002 0.000 0.289 369 I C 0.103 176.188 176.117 -0.054 0.000 1.021 369 I CA -0.242 61.020 61.300 -0.064 0.000 1.224 369 I CB 1.223 39.196 38.000 -0.044 0.000 1.376 369 I HN 0.525 nan 8.210 nan 0.000 0.470 370 Q N 5.960 125.747 119.800 -0.021 0.000 2.296 370 Q HA 0.533 4.875 4.340 0.002 0.000 0.257 370 Q C -0.571 175.438 176.000 0.015 0.000 0.942 370 Q CA -0.244 55.562 55.803 0.005 0.000 0.939 370 Q CB 1.788 30.575 28.738 0.082 0.000 1.198 370 Q HN 0.786 nan 8.270 nan 0.000 0.429 371 A N 3.560 126.382 122.820 0.002 0.000 3.106 371 A HA 0.404 4.725 4.320 0.002 0.000 0.227 371 A C 0.865 178.456 177.584 0.012 0.000 0.920 371 A CA 0.172 52.221 52.037 0.018 0.000 1.088 371 A CB 0.095 19.106 19.000 0.018 0.000 1.233 371 A HN 0.779 nan 8.150 nan 0.000 0.503 372 G N 0.629 109.431 108.800 0.003 0.000 2.404 372 G HA2 0.064 4.025 3.960 0.002 0.000 0.215 372 G HA3 0.064 4.025 3.960 0.002 0.000 0.215 372 G C 1.486 176.391 174.900 0.008 0.000 1.174 372 G CA 1.408 46.499 45.100 -0.015 0.000 0.780 372 G HN 0.882 nan 8.290 nan 0.000 0.537 373 G N 0.924 109.740 108.800 0.027 0.000 2.476 373 G HA2 -0.046 3.916 3.960 0.002 0.000 0.218 373 G HA3 -0.046 3.916 3.960 0.002 0.000 0.218 373 G C 1.795 176.715 174.900 0.034 0.000 1.164 373 G CA 1.515 46.634 45.100 0.032 0.000 0.768 373 G HN 0.630 nan 8.290 nan 0.000 0.560 374 G N -0.034 108.799 108.800 0.055 0.000 2.408 374 G HA2 -0.071 3.890 3.960 0.002 0.000 0.217 374 G HA3 -0.071 3.890 3.960 0.002 0.000 0.217 374 G C 1.780 176.722 174.900 0.071 0.000 1.150 374 G CA 1.133 46.276 45.100 0.071 0.000 0.776 374 G HN 0.346 nan 8.290 nan 0.000 0.542 375 V N 1.273 121.215 119.914 0.047 0.000 2.307 375 V HA -0.150 3.972 4.120 0.002 0.000 0.245 375 V C 2.929 179.040 176.094 0.029 0.000 1.045 375 V CA 1.631 63.947 62.300 0.026 0.000 1.024 375 V CB -0.321 31.486 31.823 -0.026 0.000 0.651 375 V HN 0.262 nan 8.190 nan 0.000 0.449 376 M N 0.412 120.020 119.600 0.014 0.000 2.279 376 M HA -0.053 4.429 4.480 0.002 0.000 0.264 376 M C 2.131 178.454 176.300 0.039 0.000 1.062 376 M CA 1.807 57.119 55.300 0.020 0.000 1.099 376 M CB -1.565 31.049 32.600 0.023 0.000 1.394 376 M HN 0.453 nan 8.290 nan 0.000 0.426 377 G N -1.637 107.186 108.800 0.038 0.000 2.813 377 G HA2 -0.103 3.859 3.960 0.002 0.000 0.209 377 G HA3 -0.103 3.859 3.960 0.002 0.000 0.209 377 G C 0.618 175.534 174.900 0.027 0.000 1.150 377 G CA -0.203 44.909 45.100 0.020 0.000 0.785 377 G HN 0.447 nan 8.290 nan 0.000 0.535 378 H N 1.744 120.804 119.070 -0.017 0.000 3.001 378 H HA 0.021 4.578 4.556 0.002 0.000 0.334 378 H C -1.090 174.229 175.328 -0.015 0.000 1.034 378 H CA -0.802 55.236 56.048 -0.016 0.000 1.420 378 H CB 1.813 31.567 29.762 -0.014 0.000 1.405 378 H HN 0.023 nan 8.280 nan 0.000 0.593 379 P HA -0.097 nan 4.420 nan 0.000 0.223 379 P C 0.386 177.702 177.300 0.028 0.000 1.144 379 P CA 0.992 64.003 63.100 -0.149 0.000 0.783 379 P CB 0.421 31.991 31.700 -0.216 0.000 0.771 380 D N -1.035 119.527 120.400 0.269 0.000 2.369 380 D HA 0.291 4.933 4.640 0.002 0.000 0.211 380 D C 1.182 177.577 176.300 0.159 0.000 1.077 380 D CA 0.669 54.806 54.000 0.229 0.000 0.842 380 D CB 0.546 41.504 40.800 0.264 0.000 0.947 380 D HN 0.131 nan 8.370 nan 0.000 0.509 381 G N 0.925 109.829 108.800 0.172 0.000 2.603 381 G HA2 -0.170 3.792 3.960 0.002 0.000 0.686 381 G HA3 -0.170 3.792 3.960 0.002 0.000 0.686 381 G C -2.157 172.768 174.900 0.042 0.000 1.286 381 G CA -0.626 44.522 45.100 0.080 0.000 0.871 381 G HN -0.174 nan 8.290 nan 0.000 0.568 382 P HA -0.091 nan 4.420 nan 0.000 0.215 382 P C 1.805 179.053 177.300 -0.088 0.000 1.153 382 P CA 1.636 64.713 63.100 -0.038 0.000 0.853 382 P CB -0.021 31.642 31.700 -0.063 0.000 0.788 383 R N 0.051 120.499 120.500 -0.087 0.000 2.096 383 R HA -0.085 4.256 4.340 0.002 0.000 0.235 383 R C 2.085 178.295 176.300 -0.150 0.000 1.127 383 R CA 1.652 57.685 56.100 -0.111 0.000 0.968 383 R CB -0.775 29.476 30.300 -0.082 0.000 0.861 383 R HN 0.070 nan 8.270 nan 0.000 0.440 384 A N 0.083 122.788 122.820 -0.191 0.000 1.969 384 A HA -0.009 4.312 4.320 0.002 0.000 0.218 384 A C 2.288 179.531 177.584 -0.567 0.000 1.169 384 A CA 1.439 53.259 52.037 -0.362 0.000 0.635 384 A CB -0.896 17.862 19.000 -0.404 0.000 0.810 384 A HN 0.572 nan 8.150 nan 0.000 0.445 385 G N -0.457 108.091 108.800 -0.420 0.000 2.408 385 G HA2 0.048 4.010 3.960 0.002 0.000 0.217 385 G HA3 0.048 4.010 3.960 0.002 0.000 0.217 385 G C 1.711 176.534 174.900 -0.128 0.000 1.150 385 G CA 1.255 46.221 45.100 -0.223 0.000 0.776 385 G HN 0.735 nan 8.290 nan 0.000 0.542 386 A N 0.787 123.530 122.820 -0.127 0.000 1.902 386 A HA -0.023 4.298 4.320 0.002 0.000 0.217 386 A C 2.195 179.724 177.584 -0.093 0.000 1.181 386 A CA 2.153 54.130 52.037 -0.099 0.000 0.623 386 A CB -0.401 18.534 19.000 -0.108 0.000 0.818 386 A HN 0.415 nan 8.150 nan 0.000 0.443 387 K N -0.318 120.010 120.400 -0.121 0.000 2.057 387 K HA -0.031 4.290 4.320 0.002 0.000 0.206 387 K C 2.109 178.662 176.600 -0.078 0.000 1.050 387 K CA 1.198 57.427 56.287 -0.096 0.000 0.935 387 K CB -0.338 32.098 32.500 -0.106 0.000 0.715 387 K HN 0.341 nan 8.250 nan 0.000 0.439 388 A N 1.181 123.940 122.820 -0.101 0.000 1.902 388 A HA -0.148 4.173 4.320 0.002 0.000 0.217 388 A C 2.046 179.629 177.584 -0.003 0.000 1.181 388 A CA 1.389 53.406 52.037 -0.033 0.000 0.623 388 A CB -0.627 18.379 19.000 0.009 0.000 0.818 388 A HN 0.393 nan 8.150 nan 0.000 0.443 389 L N -0.362 120.854 121.223 -0.012 0.000 1.994 389 L HA -0.140 4.201 4.340 0.002 0.000 0.208 389 L C 2.460 179.321 176.870 -0.015 0.000 1.071 389 L CA 1.845 56.682 54.840 -0.005 0.000 0.745 389 L CB -0.505 41.547 42.059 -0.012 0.000 0.892 389 L HN 0.231 nan 8.230 nan 0.000 0.431 390 R N 0.005 120.489 120.500 -0.027 0.000 2.117 390 R HA -0.169 4.172 4.340 0.002 0.000 0.243 390 R C 1.951 178.242 176.300 -0.015 0.000 1.143 390 R CA 1.600 57.686 56.100 -0.023 0.000 0.968 390 R CB -1.132 29.151 30.300 -0.030 0.000 0.863 390 R HN 0.486 nan 8.270 nan 0.000 0.444 391 D N 0.223 120.614 120.400 -0.015 0.000 2.123 391 D HA -0.036 4.606 4.640 0.002 0.000 0.200 391 D C 1.716 178.016 176.300 0.001 0.000 0.976 391 D CA 1.496 55.491 54.000 -0.008 0.000 0.831 391 D CB -0.132 40.663 40.800 -0.009 0.000 0.974 391 D HN 0.198 nan 8.370 nan 0.000 0.469 392 A N 0.127 122.951 122.820 0.006 0.000 2.014 392 A HA -0.034 4.288 4.320 0.002 0.000 0.218 392 A C 2.269 179.856 177.584 0.004 0.000 1.163 392 A CA 0.501 52.544 52.037 0.010 0.000 0.652 392 A CB -0.491 18.519 19.000 0.016 0.000 0.808 392 A HN 0.183 nan 8.150 nan 0.000 0.449 393 I N -0.263 120.307 120.570 0.001 0.000 2.202 393 I HA -0.206 3.966 4.170 0.002 0.000 0.242 393 I C 1.829 177.949 176.117 0.004 0.000 1.091 393 I CA 1.308 62.609 61.300 0.002 0.000 1.368 393 I CB -0.329 37.669 38.000 -0.003 0.000 1.058 393 I HN 0.198 nan 8.210 nan 0.000 0.410 394 D N 1.065 121.466 120.400 0.001 0.000 2.123 394 D HA -0.172 4.469 4.640 0.002 0.000 0.196 394 D C 2.231 178.533 176.300 0.004 0.000 0.992 394 D CA 1.594 55.595 54.000 0.002 0.000 0.833 394 D CB -0.166 40.633 40.800 -0.001 0.000 0.954 394 D HN 0.350 nan 8.370 nan 0.000 0.455 395 A N 0.922 123.744 122.820 0.005 0.000 1.902 395 A HA -0.039 4.282 4.320 0.002 0.000 0.217 395 A C 2.319 179.906 177.584 0.007 0.000 1.181 395 A CA 2.230 54.271 52.037 0.006 0.000 0.623 395 A CB -0.767 18.237 19.000 0.007 0.000 0.818 395 A HN 0.233 nan 8.150 nan 0.000 0.443 396 A N 0.149 122.974 122.820 0.008 0.000 1.865 396 A HA -0.154 4.167 4.320 0.002 0.000 0.217 396 A C 2.075 179.665 177.584 0.011 0.000 1.191 396 A CA 1.700 53.743 52.037 0.009 0.000 0.623 396 A CB -0.747 18.260 19.000 0.013 0.000 0.826 396 A HN 0.492 nan 8.150 nan 0.000 0.444 397 I N -0.450 120.127 120.570 0.013 0.000 2.423 397 I HA -0.257 3.915 4.170 0.002 0.000 0.254 397 I C 2.191 178.314 176.117 0.010 0.000 1.151 397 I CA 1.635 62.944 61.300 0.014 0.000 1.421 397 I CB -0.242 37.767 38.000 0.014 0.000 1.079 397 I HN 0.436 nan 8.210 nan 0.000 0.431 398 E N -0.140 120.064 120.200 0.008 0.000 2.452 398 E HA 0.126 4.477 4.350 0.002 0.000 0.197 398 E C 1.417 178.020 176.600 0.005 0.000 1.022 398 E CA 0.529 56.932 56.400 0.006 0.000 0.890 398 E CB 0.495 30.198 29.700 0.005 0.000 0.918 398 E HN 0.503 nan 8.360 nan 0.000 0.496 399 G N 1.389 110.192 108.800 0.005 0.000 2.132 399 G HA2 -0.249 3.712 3.960 0.002 0.000 0.234 399 G HA3 -0.249 3.712 3.960 0.002 0.000 0.234 399 G C 0.209 175.111 174.900 0.003 0.000 0.989 399 G CA 0.140 45.242 45.100 0.003 0.000 0.676 399 G HN 0.135 nan 8.290 nan 0.000 0.522 400 V N 1.137 121.053 119.914 0.004 0.000 2.461 400 V HA 0.409 4.530 4.120 0.002 0.000 0.275 400 V C 0.744 176.841 176.094 0.004 0.000 1.047 400 V CA -0.307 61.996 62.300 0.004 0.000 0.955 400 V CB 1.570 33.396 31.823 0.004 0.000 0.988 400 V HN 0.443 nan 8.190 nan 0.000 0.471 401 D N 3.525 123.927 120.400 0.004 0.000 2.487 401 D HA -0.006 4.635 4.640 0.002 0.000 0.243 401 D C 1.097 177.401 176.300 0.008 0.000 1.154 401 D CA 0.328 54.331 54.000 0.005 0.000 0.876 401 D CB 0.774 41.576 40.800 0.004 0.000 1.161 401 D HN 0.447 nan 8.370 nan 0.000 0.478 402 L N 2.814 124.043 121.223 0.010 0.000 2.127 402 L HA -0.168 4.174 4.340 0.002 0.000 0.211 402 L C 1.499 178.378 176.870 0.016 0.000 1.089 402 L CA 1.026 55.875 54.840 0.014 0.000 0.757 402 L CB -0.303 41.767 42.059 0.019 0.000 0.899 402 L HN 0.511 nan 8.230 nan 0.000 0.434 403 D N -0.510 119.898 120.400 0.014 0.000 2.224 403 D HA -0.127 4.514 4.640 0.002 0.000 0.205 403 D C 2.172 178.478 176.300 0.010 0.000 0.965 403 D CA 0.686 54.693 54.000 0.013 0.000 0.852 403 D CB 0.030 40.836 40.800 0.011 0.000 0.947 403 D HN 0.298 nan 8.370 nan 0.000 0.494 404 E N 0.928 121.133 120.200 0.008 0.000 2.031 404 E HA -0.175 4.177 4.350 0.002 0.000 0.193 404 E C 1.990 178.595 176.600 0.008 0.000 0.994 404 E CA 0.827 57.231 56.400 0.007 0.000 0.800 404 E CB -0.194 29.509 29.700 0.005 0.000 0.752 404 E HN 0.107 nan 8.360 nan 0.000 0.447 405 K N 1.265 121.670 120.400 0.009 0.000 2.103 405 K HA -0.088 4.234 4.320 0.002 0.000 0.207 405 K C 1.822 178.428 176.600 0.011 0.000 1.048 405 K CA 1.455 57.747 56.287 0.009 0.000 0.930 405 K CB -0.470 32.036 32.500 0.010 0.000 0.716 405 K HN 0.091 nan 8.250 nan 0.000 0.444 406 A N 0.633 123.462 122.820 0.014 0.000 2.121 406 A HA -0.103 4.219 4.320 0.002 0.000 0.218 406 A C 1.646 179.240 177.584 0.015 0.000 1.154 406 A CA 1.258 53.306 52.037 0.019 0.000 0.679 406 A CB -0.366 18.647 19.000 0.022 0.000 0.795 406 A HN 0.357 nan 8.150 nan 0.000 0.458 407 K N 0.421 120.828 120.400 0.011 0.000 2.280 407 K HA -0.074 4.247 4.320 0.002 0.000 0.202 407 K C 1.170 177.775 176.600 0.008 0.000 1.047 407 K CA 1.454 57.746 56.287 0.009 0.000 0.942 407 K CB -0.080 32.425 32.500 0.007 0.000 0.739 407 K HN 0.619 nan 8.250 nan 0.000 0.457 408 S N -0.879 114.825 115.700 0.007 0.000 2.730 408 S HA 0.128 4.599 4.470 0.002 0.000 0.244 408 S C 0.170 174.772 174.600 0.004 0.000 1.022 408 S CA -0.720 57.483 58.200 0.005 0.000 1.014 408 S CB 0.890 64.092 63.200 0.003 0.000 0.963 408 S HN 0.002 nan 8.310 nan 0.000 0.540 409 S N 2.849 118.554 115.700 0.008 0.000 2.496 409 S HA 0.456 4.928 4.470 0.002 0.000 0.221 409 S C -2.412 172.199 174.600 0.019 0.000 1.260 409 S CA -1.201 57.003 58.200 0.007 0.000 1.181 409 S CB 1.343 64.546 63.200 0.005 0.000 1.136 409 S HN 0.083 nan 8.310 nan 0.000 0.467 410 P HA 0.010 nan 4.420 nan 0.000 0.223 410 P C 0.748 178.090 177.300 0.069 0.000 1.151 410 P CA 0.806 63.929 63.100 0.038 0.000 0.787 410 P CB 0.263 31.981 31.700 0.029 0.000 0.788 411 E N -0.250 119.972 120.200 0.037 0.000 2.106 411 E HA -0.120 4.231 4.350 0.002 0.000 0.192 411 E C 1.872 178.546 176.600 0.124 0.000 0.984 411 E CA 0.646 57.056 56.400 0.017 0.000 0.806 411 E CB -0.978 28.635 29.700 -0.146 0.000 0.750 411 E HN 0.124 nan 8.360 nan 0.000 0.458 412 L N 0.976 122.241 121.223 0.071 0.000 2.109 412 L HA -0.045 4.297 4.340 0.002 0.000 0.207 412 L C 1.918 178.844 176.870 0.094 0.000 1.086 412 L CA 1.760 56.651 54.840 0.086 0.000 0.760 412 L CB -0.305 41.781 42.059 0.044 0.000 0.910 412 L HN -0.075 nan 8.230 nan 0.000 0.437 413 K N -0.218 120.227 120.400 0.075 0.000 1.978 413 K HA -0.245 4.076 4.320 0.002 0.000 0.214 413 K C 2.169 178.801 176.600 0.053 0.000 1.049 413 K CA 2.001 58.320 56.287 0.053 0.000 0.939 413 K CB -0.120 32.403 32.500 0.039 0.000 0.721 413 K HN 0.180 nan 8.250 nan 0.000 0.441 414 K N 0.038 120.485 120.400 0.077 0.000 2.160 414 K HA -0.164 4.157 4.320 0.002 0.000 0.206 414 K C 2.235 178.792 176.600 -0.072 0.000 1.047 414 K CA 1.592 57.884 56.287 0.008 0.000 0.930 414 K CB -0.165 32.359 32.500 0.040 0.000 0.720 414 K HN 0.121 nan 8.250 nan 0.000 0.450 415 S N 0.490 116.222 115.700 0.052 0.000 2.387 415 S HA -0.000 4.471 4.470 0.002 0.000 0.226 415 S C 1.789 176.405 174.600 0.027 0.000 1.026 415 S CA 0.596 58.819 58.200 0.037 0.000 0.972 415 S CB -0.047 63.267 63.200 0.190 0.000 0.814 415 S HN 0.214 nan 8.310 nan 0.000 0.477 416 L N 0.595 121.844 121.223 0.044 0.000 2.141 416 L HA 0.003 4.345 4.340 0.002 0.000 0.209 416 L C 2.829 179.706 176.870 0.012 0.000 1.094 416 L CA 0.953 55.818 54.840 0.042 0.000 0.763 416 L CB -0.447 41.637 42.059 0.042 0.000 0.908 416 L HN 0.247 nan 8.230 nan 0.000 0.437 417 R N 0.473 120.968 120.500 -0.008 0.000 2.133 417 R HA -0.150 4.191 4.340 0.002 0.000 0.245 417 R C 0.872 177.153 176.300 -0.032 0.000 1.137 417 R CA 1.306 57.393 56.100 -0.022 0.000 0.947 417 R CB -0.156 30.122 30.300 -0.037 0.000 0.865 417 R HN 0.463 nan 8.270 nan 0.000 0.437 418 E N 0.000 120.167 120.200 -0.055 0.000 2.725 418 E HA 0.000 4.351 4.350 0.002 0.000 0.291 418 E CA 0.000 56.354 56.400 -0.077 0.000 0.976 418 E CB 0.000 29.634 29.700 -0.109 0.000 0.812 418 E HN 0.000 nan 8.360 nan 0.000 0.440