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 1v5b_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKMKLAVLPG DGIGPEVMDA AIRVLKTVLD NDGHEAVFEN ALIGGAAIDE DATA SEQUENCE AGTPLPEETL DICRRSDAIL LGAVGGPKWD HNPASLRPEK GLLGLRKEMG DATA SEQUENCE LFANLRPVKA YATLLNASPL KRERVENVDL VIVRELTGGL YFGRPSERRG DATA SEQUENCE PGENEVVDTL AYTREEIERI IEKAFQLAQI RRKKLASVDK ANVLESSRMW DATA SEQUENCE REIAEETAKK YPDVELSHML VDSTAMQLIA NPGQFDVIVT ENMFGDILSD DATA SEQUENCE LASVITGSLG MLPSASLRSD RFGMYEPVHG SAPDIAGQGK ANPLGTVLSA DATA SEQUENCE ALMLRYSFGL EKEAAAIEKA VDDVLQDGYC TGDLQVANGK VVSTIELTDR DATA SEQUENCE LIEKLN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.288 176.300 -0.020 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.642 32.600 0.070 0.000 1.302 2 K N 2.580 122.960 120.400 -0.032 0.000 2.349 2 K HA 0.665 4.985 4.320 0.000 0.000 0.289 2 K C -0.927 175.633 176.600 -0.067 0.000 1.064 2 K CA -0.225 56.030 56.287 -0.054 0.000 0.947 2 K CB 0.361 32.844 32.500 -0.028 0.000 1.007 2 K HN 0.861 nan 8.250 nan 0.000 0.478 3 M N 1.134 120.640 119.600 -0.156 0.000 2.393 3 M HA 0.418 4.898 4.480 0.000 0.000 0.299 3 M C -1.372 174.838 176.300 -0.150 0.000 1.103 3 M CA -0.994 54.198 55.300 -0.180 0.000 0.910 3 M CB 2.471 34.692 32.600 -0.632 0.000 1.659 3 M HN 0.298 nan 8.290 nan 0.000 0.445 4 K N 4.339 124.733 120.400 -0.011 0.000 2.316 4 K HA 0.679 4.999 4.320 0.000 0.000 0.267 4 K C -1.372 175.257 176.600 0.048 0.000 1.025 4 K CA -0.416 55.862 56.287 -0.015 0.000 0.896 4 K CB 1.700 34.223 32.500 0.039 0.000 1.124 4 K HN 0.716 nan 8.250 nan 0.000 0.451 5 L N 2.036 123.242 121.223 -0.028 0.000 2.317 5 L HA 0.550 4.890 4.340 0.000 0.000 0.281 5 L C -0.070 176.898 176.870 0.164 0.000 1.024 5 L CA -1.005 53.889 54.840 0.091 0.000 0.810 5 L CB 1.832 43.939 42.059 0.080 0.000 1.240 5 L HN 0.637 nan 8.230 nan 0.000 0.427 6 A N 3.283 126.212 122.820 0.181 0.000 2.276 6 A HA 0.668 4.988 4.320 0.000 0.000 0.316 6 A C -0.510 177.171 177.584 0.162 0.000 1.229 6 A CA -0.456 51.680 52.037 0.165 0.000 0.851 6 A CB 1.011 20.104 19.000 0.153 0.000 1.165 6 A HN 0.417 nan 8.150 nan 0.000 0.513 7 V N 3.760 123.762 119.914 0.146 0.000 2.370 7 V HA 0.324 4.444 4.120 0.000 0.000 0.279 7 V C -0.609 175.520 176.094 0.058 0.000 1.029 7 V CA -0.147 62.210 62.300 0.096 0.000 0.870 7 V CB 1.022 32.880 31.823 0.057 0.000 0.984 7 V HN 0.698 nan 8.190 nan 0.000 0.451 8 L N 8.813 130.062 121.223 0.043 0.000 2.556 8 L HA 0.397 4.737 4.340 0.000 0.000 0.243 8 L C -1.282 175.591 176.870 0.006 0.000 1.331 8 L CA -1.105 53.749 54.840 0.023 0.000 0.927 8 L CB 1.541 43.615 42.059 0.025 0.000 1.219 8 L HN 0.390 nan 8.230 nan 0.000 0.490 9 P HA -0.050 nan 4.420 nan 0.000 0.220 9 P C 1.049 178.344 177.300 -0.009 0.000 1.148 9 P CA 1.362 64.459 63.100 -0.005 0.000 0.803 9 P CB 0.685 32.381 31.700 -0.006 0.000 0.782 10 G N 0.751 109.540 108.800 -0.019 0.000 2.561 10 G HA2 -0.231 3.729 3.960 0.000 0.000 0.289 10 G HA3 -0.231 3.729 3.960 0.000 0.000 0.289 10 G C -0.407 174.475 174.900 -0.030 0.000 1.169 10 G CA 0.688 45.763 45.100 -0.041 0.000 0.980 10 G HN 0.303 nan 8.290 nan 0.000 0.550 11 D N 0.910 121.291 120.400 -0.031 0.000 2.564 11 D HA 0.551 5.191 4.640 0.000 0.000 0.273 11 D C 1.451 177.795 176.300 0.075 0.000 1.192 11 D CA 1.091 55.106 54.000 0.024 0.000 1.080 11 D CB 0.145 40.939 40.800 -0.011 0.000 1.160 11 D HN 1.599 nan 8.370 nan 0.000 0.607 12 G N 0.654 109.533 108.800 0.132 0.000 2.698 12 G HA2 -0.339 3.621 3.960 0.000 0.000 0.337 12 G HA3 -0.339 3.621 3.960 0.000 0.000 0.337 12 G C 1.141 176.092 174.900 0.086 0.000 1.286 12 G CA 1.154 46.324 45.100 0.117 0.000 1.000 12 G HN 0.697 nan 8.290 nan 0.000 0.547 13 I N 0.020 120.640 120.570 0.083 0.000 3.684 13 I HA 0.379 4.549 4.170 0.000 0.000 0.304 13 I C 2.406 178.566 176.117 0.072 0.000 1.278 13 I CA 1.211 62.554 61.300 0.072 0.000 1.272 13 I CB -0.731 37.314 38.000 0.074 0.000 1.029 13 I HN 0.603 nan 8.210 nan 0.000 0.458 14 G N 3.419 112.260 108.800 0.069 0.000 2.606 14 G HA2 -0.243 3.717 3.960 0.000 0.000 0.221 14 G HA3 -0.243 3.717 3.960 0.000 0.000 0.221 14 G C -0.067 174.850 174.900 0.029 0.000 1.152 14 G CA 1.530 46.657 45.100 0.044 0.000 0.765 14 G HN 0.433 nan 8.290 nan 0.000 0.595 15 P HA -0.019 nan 4.420 nan 0.000 0.217 15 P C 1.329 178.630 177.300 0.002 0.000 1.151 15 P CA 1.363 64.467 63.100 0.007 0.000 0.828 15 P CB 0.005 31.711 31.700 0.010 0.000 0.788 16 E N 0.293 120.501 120.200 0.013 0.000 2.058 16 E HA -0.130 4.220 4.350 0.000 0.000 0.194 16 E C 2.101 178.703 176.600 0.005 0.000 0.997 16 E CA 1.881 58.285 56.400 0.006 0.000 0.801 16 E CB -0.629 29.079 29.700 0.013 0.000 0.746 16 E HN 0.193 nan 8.360 nan 0.000 0.450 17 V N -1.107 118.823 119.914 0.026 0.000 2.667 17 V HA -0.143 3.977 4.120 0.000 0.000 0.252 17 V C 2.231 178.332 176.094 0.012 0.000 1.065 17 V CA 1.301 63.622 62.300 0.035 0.000 1.083 17 V CB -0.371 31.511 31.823 0.098 0.000 0.692 17 V HN 0.113 nan 8.190 nan 0.000 0.468 18 M N 1.890 121.490 119.600 0.000 0.000 2.117 18 M HA -0.102 4.378 4.480 0.000 0.000 0.262 18 M C 1.728 177.991 176.300 -0.061 0.000 1.065 18 M CA 2.277 57.562 55.300 -0.026 0.000 1.114 18 M CB -0.847 31.734 32.600 -0.032 0.000 1.361 18 M HN 0.487 nan 8.290 nan 0.000 0.408 19 D N -0.435 119.929 120.400 -0.060 0.000 2.104 19 D HA -0.137 4.503 4.640 0.000 0.000 0.194 19 D C 1.874 178.130 176.300 -0.075 0.000 0.994 19 D CA 1.825 55.776 54.000 -0.081 0.000 0.830 19 D CB -0.144 40.619 40.800 -0.061 0.000 0.959 19 D HN 0.438 nan 8.370 nan 0.000 0.452 20 A N 0.608 123.399 122.820 -0.048 0.000 1.873 20 A HA -0.110 4.210 4.320 0.000 0.000 0.218 20 A C 2.412 179.968 177.584 -0.046 0.000 1.193 20 A CA 2.756 54.767 52.037 -0.042 0.000 0.629 20 A CB -1.314 17.670 19.000 -0.026 0.000 0.826 20 A HN 0.329 nan 8.150 nan 0.000 0.447 21 A N -0.340 122.455 122.820 -0.042 0.000 1.908 21 A HA -0.119 4.201 4.320 0.000 0.000 0.218 21 A C 2.163 179.708 177.584 -0.066 0.000 1.181 21 A CA 1.638 53.651 52.037 -0.040 0.000 0.627 21 A CB -0.623 18.363 19.000 -0.023 0.000 0.818 21 A HN 0.532 nan 8.150 nan 0.000 0.445 22 I N -1.074 119.418 120.570 -0.131 0.000 2.179 22 I HA -0.271 3.899 4.170 0.000 0.000 0.242 22 I C 2.829 178.863 176.117 -0.139 0.000 1.088 22 I CA 1.465 62.621 61.300 -0.240 0.000 1.357 22 I CB -0.369 37.363 38.000 -0.447 0.000 1.051 22 I HN 0.323 nan 8.210 nan 0.000 0.409 23 R N 0.157 120.594 120.500 -0.105 0.000 2.073 23 R HA -0.125 4.215 4.340 0.000 0.000 0.234 23 R C 2.269 178.551 176.300 -0.031 0.000 1.134 23 R CA 1.320 57.384 56.100 -0.059 0.000 0.952 23 R CB -0.591 29.676 30.300 -0.055 0.000 0.850 23 R HN 0.196 nan 8.270 nan 0.000 0.433 24 V N 1.543 121.437 119.914 -0.033 0.000 2.407 24 V HA -0.221 3.899 4.120 0.000 0.000 0.248 24 V C 2.313 178.399 176.094 -0.014 0.000 1.055 24 V CA 1.528 63.815 62.300 -0.023 0.000 1.049 24 V CB -0.424 31.383 31.823 -0.026 0.000 0.662 24 V HN 0.310 nan 8.190 nan 0.000 0.455 25 L N -0.443 120.779 121.223 -0.002 0.000 2.027 25 L HA -0.180 4.160 4.340 0.000 0.000 0.206 25 L C 2.581 179.486 176.870 0.059 0.000 1.074 25 L CA 1.739 56.597 54.840 0.030 0.000 0.745 25 L CB -0.355 41.764 42.059 0.100 0.000 0.898 25 L HN 0.284 nan 8.230 nan 0.000 0.433 26 K N -1.299 119.155 120.400 0.091 0.000 2.362 26 K HA -0.112 4.208 4.320 0.000 0.000 0.200 26 K C 1.866 178.492 176.600 0.044 0.000 1.046 26 K CA 1.294 57.644 56.287 0.104 0.000 0.952 26 K CB -0.067 32.497 32.500 0.108 0.000 0.753 26 K HN 0.305 nan 8.250 nan 0.000 0.466 27 T N 0.534 115.099 114.554 0.018 0.000 2.706 27 T HA -0.063 4.287 4.350 0.000 0.000 0.255 27 T C 1.932 176.632 174.700 0.001 0.000 1.048 27 T CA 0.899 63.003 62.100 0.007 0.000 1.153 27 T CB -0.062 68.804 68.868 -0.004 0.000 0.865 27 T HN -0.104 nan 8.240 nan 0.000 0.414 28 V N 1.864 121.769 119.914 -0.016 0.000 2.469 28 V HA -0.105 4.015 4.120 0.000 0.000 0.251 28 V C 2.385 178.449 176.094 -0.049 0.000 1.064 28 V CA 1.425 63.705 62.300 -0.034 0.000 1.066 28 V CB -0.662 31.126 31.823 -0.058 0.000 0.667 28 V HN 0.413 nan 8.190 nan 0.000 0.461 29 L N -0.324 120.866 121.223 -0.055 0.000 2.313 29 L HA -0.079 4.261 4.340 0.000 0.000 0.214 29 L C 2.253 179.169 176.870 0.077 0.000 1.119 29 L CA 1.162 55.965 54.840 -0.062 0.000 0.809 29 L CB -0.388 41.621 42.059 -0.082 0.000 0.933 29 L HN 0.394 nan 8.230 nan 0.000 0.449 30 D N 1.098 121.526 120.400 0.047 0.000 2.121 30 D HA -0.158 4.482 4.640 0.000 0.000 0.209 30 D C 1.335 177.666 176.300 0.052 0.000 0.981 30 D CA 1.368 55.397 54.000 0.048 0.000 0.875 30 D CB -0.190 40.628 40.800 0.030 0.000 1.016 30 D HN 0.317 nan 8.370 nan 0.000 0.452 31 N N 0.122 118.845 118.700 0.038 0.000 2.601 31 N HA -0.060 4.680 4.740 0.000 0.000 0.201 31 N C 0.335 175.875 175.510 0.050 0.000 1.355 31 N CA 0.473 53.542 53.050 0.033 0.000 0.880 31 N CB 0.190 38.689 38.487 0.020 0.000 1.071 31 N HN 0.142 nan 8.380 nan 0.000 0.454 32 D N -0.929 119.530 120.400 0.097 0.000 2.486 32 D HA 0.152 4.792 4.640 0.000 0.000 0.243 32 D C 0.105 176.479 176.300 0.123 0.000 1.146 32 D CA 0.346 54.438 54.000 0.153 0.000 0.821 32 D CB 0.463 41.399 40.800 0.227 0.000 1.201 32 D HN 0.277 nan 8.370 nan 0.000 0.525 33 G N 1.956 110.816 108.800 0.100 0.000 2.694 33 G HA2 -0.196 3.764 3.960 0.000 0.000 0.247 33 G HA3 -0.196 3.764 3.960 0.000 0.000 0.247 33 G C -0.894 173.837 174.900 -0.282 0.000 0.989 33 G CA -0.062 45.000 45.100 -0.062 0.000 1.252 33 G HN 0.391 nan 8.290 nan 0.000 0.483 34 H N -0.158 118.874 119.070 -0.063 0.000 3.026 34 H HA 0.480 5.036 4.556 0.000 0.000 0.352 34 H C -0.465 174.798 175.328 -0.108 0.000 1.090 34 H CA -0.781 55.211 56.048 -0.094 0.000 1.268 34 H CB 1.509 31.196 29.762 -0.125 0.000 1.816 34 H HN 0.376 nan 8.280 nan 0.000 0.518 35 E N 1.938 122.125 120.200 -0.022 0.000 2.001 35 E HA 0.550 4.900 4.350 0.000 0.000 0.279 35 E C -0.766 175.752 176.600 -0.138 0.000 1.045 35 E CA -0.650 55.709 56.400 -0.068 0.000 0.833 35 E CB 0.670 30.332 29.700 -0.065 0.000 1.077 35 E HN 0.601 nan 8.360 nan 0.000 0.397 36 A N 3.371 126.069 122.820 -0.203 0.000 2.303 36 A HA 0.510 4.830 4.320 0.000 0.000 0.320 36 A C -0.622 176.666 177.584 -0.493 0.000 1.192 36 A CA -0.605 51.195 52.037 -0.395 0.000 0.821 36 A CB 1.098 19.805 19.000 -0.487 0.000 1.188 36 A HN 0.397 nan 8.150 nan 0.000 0.492 37 V N 3.438 123.063 119.914 -0.481 0.000 2.378 37 V HA 0.405 4.525 4.120 0.000 0.000 0.288 37 V C -0.885 174.972 176.094 -0.396 0.000 1.016 37 V CA -0.315 61.773 62.300 -0.354 0.000 0.840 37 V CB 0.733 32.469 31.823 -0.146 0.000 0.994 37 V HN 0.731 nan 8.190 nan 0.000 0.431 38 F N 2.683 122.635 119.950 0.004 0.000 2.371 38 F HA 0.625 5.152 4.527 0.000 0.000 0.329 38 F C 0.513 176.325 175.800 0.020 0.000 1.107 38 F CA -0.477 57.531 58.000 0.012 0.000 1.137 38 F CB 1.016 40.020 39.000 0.005 0.000 1.214 38 F HN 0.489 nan 8.300 nan 0.000 0.536 39 E N 1.260 121.600 120.200 0.233 0.000 2.304 39 E HA 0.355 4.705 4.350 0.000 0.000 0.277 39 E C -1.678 174.996 176.600 0.124 0.000 0.898 39 E CA -0.813 55.671 56.400 0.140 0.000 0.764 39 E CB 1.238 30.999 29.700 0.100 0.000 1.216 39 E HN 0.666 nan 8.360 nan 0.000 0.419 40 N N 1.193 119.945 118.700 0.087 0.000 2.466 40 N HA 0.755 5.495 4.740 0.000 0.000 0.294 40 N C -1.481 174.059 175.510 0.050 0.000 1.129 40 N CA -0.301 52.786 53.050 0.062 0.000 0.931 40 N CB 2.001 40.513 38.487 0.041 0.000 1.193 40 N HN 0.487 nan 8.380 nan 0.000 0.500 41 A N 1.027 123.872 122.820 0.040 0.000 2.547 41 A HA 0.568 4.888 4.320 0.000 0.000 0.297 41 A C -1.635 175.957 177.584 0.014 0.000 1.056 41 A CA -0.556 51.499 52.037 0.030 0.000 0.688 41 A CB 0.697 19.720 19.000 0.039 0.000 1.282 41 A HN 0.438 nan 8.150 nan 0.000 0.400 42 L N 2.541 123.767 121.223 0.004 0.000 2.371 42 L HA 0.606 4.946 4.340 0.000 0.000 0.272 42 L C 0.151 177.002 176.870 -0.031 0.000 1.124 42 L CA 0.020 54.852 54.840 -0.014 0.000 0.816 42 L CB 1.031 43.082 42.059 -0.014 0.000 1.129 42 L HN 0.677 nan 8.230 nan 0.000 0.448 43 I N 0.853 121.388 120.570 -0.058 0.000 2.908 43 I HA 0.579 4.749 4.170 0.000 0.000 0.300 43 I C 0.253 176.284 176.117 -0.143 0.000 1.385 43 I CA 0.378 61.632 61.300 -0.078 0.000 1.004 43 I CB 1.586 39.557 38.000 -0.048 0.000 1.309 43 I HN 0.664 nan 8.210 nan 0.000 0.449 44 G N 4.272 112.966 108.800 -0.178 0.000 2.645 44 G HA2 -0.199 3.761 3.960 0.000 0.000 0.246 44 G HA3 -0.199 3.761 3.960 0.000 0.000 0.246 44 G C 0.827 175.428 174.900 -0.498 0.000 1.322 44 G CA 0.356 45.280 45.100 -0.292 0.000 0.898 44 G HN 1.542 nan 8.290 nan 0.000 0.573 45 G N -0.290 107.949 108.800 -0.936 0.000 2.606 45 G HA2 0.049 4.009 3.960 0.000 0.000 0.221 45 G HA3 0.049 4.009 3.960 0.000 0.000 0.221 45 G C 2.256 176.703 174.900 -0.754 0.000 1.152 45 G CA 3.542 47.556 45.100 -1.811 0.000 0.765 45 G HN 2.144 nan 8.290 nan 0.000 0.595 46 A N 0.941 123.535 122.820 -0.375 0.000 1.948 46 A HA 0.155 4.475 4.320 0.000 0.000 0.220 46 A C 2.838 180.381 177.584 -0.068 0.000 1.177 46 A CA 2.657 54.645 52.037 -0.081 0.000 0.636 46 A CB -0.786 18.189 19.000 -0.042 0.000 0.815 46 A HN 1.036 nan 8.150 nan 0.000 0.449 47 A N -0.274 122.468 122.820 -0.130 0.000 1.929 47 A HA 0.016 4.336 4.320 0.000 0.000 0.216 47 A C 2.103 179.647 177.584 -0.066 0.000 1.176 47 A CA 1.251 53.240 52.037 -0.080 0.000 0.628 47 A CB -0.542 18.406 19.000 -0.087 0.000 0.816 47 A HN 0.494 nan 8.150 nan 0.000 0.444 48 I N 0.304 120.794 120.570 -0.132 0.000 2.091 48 I HA -0.314 3.856 4.170 0.000 0.000 0.239 48 I C 1.988 178.140 176.117 0.059 0.000 1.061 48 I CA 1.787 63.053 61.300 -0.055 0.000 1.317 48 I CB -0.662 37.268 38.000 -0.117 0.000 1.031 48 I HN 0.311 nan 8.210 nan 0.000 0.401 49 D N 0.471 120.952 120.400 0.135 0.000 2.133 49 D HA -0.220 4.420 4.640 0.000 0.000 0.192 49 D C 2.063 178.420 176.300 0.094 0.000 1.001 49 D CA 1.609 55.714 54.000 0.175 0.000 0.844 49 D CB -0.197 40.744 40.800 0.235 0.000 0.944 49 D HN 0.371 nan 8.370 nan 0.000 0.447 50 E N 0.328 120.564 120.200 0.061 0.000 2.022 50 E HA 0.099 4.449 4.350 0.000 0.000 0.190 50 E C 2.018 178.636 176.600 0.031 0.000 0.973 50 E CA 1.082 57.506 56.400 0.041 0.000 0.816 50 E CB -0.426 29.292 29.700 0.030 0.000 0.781 50 E HN 0.159 nan 8.360 nan 0.000 0.456 51 A N -1.041 121.790 122.820 0.019 0.000 1.897 51 A HA 0.250 4.570 4.320 0.000 0.000 0.215 51 A C 1.837 179.431 177.584 0.016 0.000 1.181 51 A CA 1.828 53.873 52.037 0.014 0.000 0.620 51 A CB -0.387 18.616 19.000 0.004 0.000 0.821 51 A HN 0.425 nan 8.150 nan 0.000 0.443 52 G N -2.436 106.375 108.800 0.018 0.000 2.229 52 G HA2 -0.019 3.941 3.960 0.000 0.000 0.189 52 G HA3 -0.019 3.941 3.960 0.000 0.000 0.189 52 G C 0.368 175.275 174.900 0.013 0.000 1.000 52 G CA 0.731 45.845 45.100 0.024 0.000 0.663 52 G HN 1.654 nan 8.290 nan 0.000 0.493 53 T N -2.786 111.765 114.554 -0.005 0.000 2.883 53 T HA 0.751 5.101 4.350 0.000 0.000 0.301 53 T C -2.044 172.627 174.700 -0.049 0.000 1.158 53 T CA -0.762 61.326 62.100 -0.019 0.000 1.007 53 T CB 3.213 72.073 68.868 -0.012 0.000 1.186 53 T HN -0.071 nan 8.240 nan 0.000 0.499 54 P HA 0.133 nan 4.420 nan 0.000 0.229 54 P C 0.229 177.483 177.300 -0.076 0.000 1.160 54 P CA 0.259 63.294 63.100 -0.108 0.000 0.777 54 P CB 0.188 31.818 31.700 -0.116 0.000 0.814 55 L N 0.621 121.817 121.223 -0.045 0.000 2.481 55 L HA 0.573 4.913 4.340 0.000 0.000 0.255 55 L C -2.918 173.943 176.870 -0.015 0.000 1.192 55 L CA -2.659 52.164 54.840 -0.028 0.000 0.924 55 L CB 1.071 43.119 42.059 -0.019 0.000 1.179 55 L HN -0.307 nan 8.230 nan 0.000 0.491 56 P HA 0.099 nan 4.420 nan 0.000 0.266 56 P C 0.439 177.740 177.300 0.002 0.000 1.195 56 P CA 0.138 63.236 63.100 -0.004 0.000 0.768 56 P CB 0.866 32.565 31.700 -0.003 0.000 0.838 57 E N 2.071 122.273 120.200 0.003 0.000 2.204 57 E HA -0.241 4.109 4.350 0.000 0.000 0.195 57 E C 1.618 178.223 176.600 0.008 0.000 0.990 57 E CA 1.243 57.646 56.400 0.005 0.000 0.821 57 E CB -0.212 29.491 29.700 0.004 0.000 0.750 57 E HN 0.456 nan 8.360 nan 0.000 0.477 58 E N -0.512 119.693 120.200 0.009 0.000 2.058 58 E HA -0.174 4.176 4.350 0.000 0.000 0.194 58 E C 1.816 178.427 176.600 0.018 0.000 0.997 58 E CA 2.213 58.621 56.400 0.014 0.000 0.801 58 E CB -0.592 29.116 29.700 0.013 0.000 0.746 58 E HN 0.228 nan 8.360 nan 0.000 0.450 59 T N 0.933 115.496 114.554 0.017 0.000 2.746 59 T HA -0.086 4.264 4.350 0.000 0.000 0.267 59 T C 1.824 176.543 174.700 0.031 0.000 1.039 59 T CA 1.319 63.434 62.100 0.024 0.000 1.142 59 T CB -0.279 68.598 68.868 0.015 0.000 0.866 59 T HN 0.130 nan 8.240 nan 0.000 0.444 60 L N 0.946 122.182 121.223 0.022 0.000 2.079 60 L HA -0.141 4.199 4.340 0.000 0.000 0.210 60 L C 2.455 179.336 176.870 0.018 0.000 1.081 60 L CA 1.169 56.021 54.840 0.020 0.000 0.752 60 L CB -0.607 41.457 42.059 0.008 0.000 0.896 60 L HN 0.211 nan 8.230 nan 0.000 0.433 61 D N 0.151 120.561 120.400 0.017 0.000 2.117 61 D HA -0.182 4.458 4.640 0.000 0.000 0.197 61 D C 2.014 178.331 176.300 0.028 0.000 0.987 61 D CA 1.369 55.378 54.000 0.015 0.000 0.829 61 D CB -0.137 40.671 40.800 0.014 0.000 0.961 61 D HN 0.355 nan 8.370 nan 0.000 0.460 62 I N 0.459 121.053 120.570 0.040 0.000 2.142 62 I HA -0.259 3.911 4.170 0.000 0.000 0.240 62 I C 2.147 178.313 176.117 0.082 0.000 1.078 62 I CA 1.366 62.701 61.300 0.058 0.000 1.343 62 I CB -0.644 37.393 38.000 0.063 0.000 1.046 62 I HN -0.051 nan 8.210 nan 0.000 0.405 63 C N 1.254 120.610 119.300 0.092 0.000 2.401 63 C HA -0.142 4.318 4.460 0.000 0.000 0.276 63 C C 2.824 177.878 174.990 0.107 0.000 1.233 63 C CA 1.327 60.435 59.018 0.149 0.000 1.753 63 C CB -1.509 26.324 27.740 0.155 0.000 2.029 63 C HN 0.518 nan 8.230 nan 0.000 0.478 64 R N 0.028 120.533 120.500 0.008 0.000 2.120 64 R HA -0.117 4.223 4.340 0.000 0.000 0.234 64 R C 2.377 178.659 176.300 -0.030 0.000 1.123 64 R CA 1.223 57.277 56.100 -0.077 0.000 0.975 64 R CB -0.407 29.853 30.300 -0.067 0.000 0.866 64 R HN 0.423 nan 8.270 nan 0.000 0.446 65 R N 0.858 121.375 120.500 0.030 0.000 2.297 65 R HA 0.120 4.460 4.340 0.000 0.000 0.197 65 R C 0.088 176.445 176.300 0.094 0.000 0.943 65 R CA 0.208 56.337 56.100 0.048 0.000 1.038 65 R CB -0.139 30.185 30.300 0.040 0.000 0.957 65 R HN 0.169 nan 8.270 nan 0.000 0.484 66 S N 0.618 116.411 115.700 0.154 0.000 2.654 66 S HA 0.312 4.782 4.470 0.000 0.000 0.283 66 S C -0.058 174.732 174.600 0.317 0.000 1.180 66 S CA -0.841 57.486 58.200 0.213 0.000 1.021 66 S CB 1.605 64.943 63.200 0.229 0.000 1.018 66 S HN 0.344 nan 8.310 nan 0.000 0.532 67 D N 0.937 121.519 120.400 0.302 0.000 2.110 67 D HA 0.181 4.821 4.640 0.000 0.000 0.202 67 D C 0.877 177.327 176.300 0.250 0.000 0.975 67 D CA 0.994 55.197 54.000 0.339 0.000 0.839 67 D CB -0.033 41.048 40.800 0.468 0.000 0.996 67 D HN 0.545 nan 8.370 nan 0.000 0.464 68 A N -0.051 122.889 122.820 0.200 0.000 2.578 68 A HA 0.679 4.999 4.320 0.000 0.000 0.255 68 A C -1.133 176.452 177.584 0.002 0.000 1.251 68 A CA -0.389 51.631 52.037 -0.030 0.000 0.882 68 A CB 2.061 21.164 19.000 0.172 0.000 1.416 68 A HN 0.084 nan 8.150 nan 0.000 0.462 69 I N 0.526 121.110 120.570 0.023 0.000 2.651 69 I HA 0.331 4.501 4.170 0.000 0.000 0.287 69 I C -1.927 174.270 176.117 0.133 0.000 1.244 69 I CA -0.420 60.923 61.300 0.071 0.000 1.061 69 I CB 1.047 39.054 38.000 0.013 0.000 1.286 69 I HN 0.548 nan 8.210 nan 0.000 0.434 70 L N 7.368 128.676 121.223 0.141 0.000 2.260 70 L HA 0.436 4.776 4.340 0.000 0.000 0.289 70 L C -0.482 176.433 176.870 0.074 0.000 1.057 70 L CA -0.516 54.399 54.840 0.125 0.000 0.811 70 L CB 1.402 43.528 42.059 0.112 0.000 1.184 70 L HN 0.457 nan 8.230 nan 0.000 0.429 71 L N 2.440 123.696 121.223 0.055 0.000 2.342 71 L HA 0.761 5.101 4.340 0.000 0.000 0.271 71 L C 0.484 177.352 176.870 -0.003 0.000 1.008 71 L CA 0.107 54.957 54.840 0.017 0.000 0.818 71 L CB 1.873 43.932 42.059 0.000 0.000 1.296 71 L HN 0.497 nan 8.230 nan 0.000 0.427 72 G N 2.278 111.068 108.800 -0.017 0.000 2.756 72 G HA2 0.670 4.630 3.960 0.000 0.000 0.203 72 G HA3 0.670 4.630 3.960 0.000 0.000 0.203 72 G C -0.690 174.168 174.900 -0.069 0.000 2.015 72 G CA 0.337 45.418 45.100 -0.033 0.000 0.835 72 G HN 1.006 nan 8.290 nan 0.000 0.648 73 A N -1.395 121.397 122.820 -0.047 0.000 2.604 73 A HA 0.647 4.967 4.320 0.000 0.000 0.295 73 A C -0.949 176.614 177.584 -0.036 0.000 1.067 73 A CA -0.076 51.929 52.037 -0.052 0.000 0.683 73 A CB 1.328 20.298 19.000 -0.051 0.000 1.281 73 A HN 1.557 nan 8.150 nan 0.000 0.407 74 V N -1.079 118.810 119.914 -0.043 0.000 2.919 74 V HA 1.043 5.163 4.120 0.000 0.000 0.316 74 V C 0.400 176.479 176.094 -0.026 0.000 1.077 74 V CA -0.196 62.063 62.300 -0.067 0.000 0.977 74 V CB 0.907 32.668 31.823 -0.103 0.000 1.039 74 V HN 2.810 nan 8.190 nan 0.000 0.441 75 G N -0.178 108.604 108.800 -0.030 0.000 2.428 75 G HA2 0.579 4.539 3.960 0.000 0.000 0.681 75 G HA3 0.579 4.539 3.960 0.000 0.000 0.681 75 G C -0.313 174.766 174.900 0.298 0.000 1.340 75 G CA -0.043 45.117 45.100 0.099 0.000 0.915 75 G HN 2.648 nan 8.290 nan 0.000 0.645 76 G N 0.021 109.076 108.800 0.426 0.000 2.358 76 G HA2 0.677 4.637 3.960 0.000 0.000 0.301 76 G HA3 0.677 4.637 3.960 0.000 0.000 0.301 76 G C -1.968 173.072 174.900 0.234 0.000 1.539 76 G CA 0.418 45.765 45.100 0.412 0.000 0.893 76 G HN 0.618 nan 8.290 nan 0.000 0.636 77 P HA -0.105 nan 4.420 nan 0.000 0.216 77 P C 1.696 178.894 177.300 -0.169 0.000 1.150 77 P CA 1.354 64.435 63.100 -0.032 0.000 0.843 77 P CB 0.254 31.922 31.700 -0.053 0.000 0.787 78 K N -1.407 118.670 120.400 -0.537 0.000 2.281 78 K HA -0.127 4.193 4.320 0.000 0.000 0.203 78 K C 0.674 176.791 176.600 -0.804 0.000 1.046 78 K CA 1.118 56.869 56.287 -0.893 0.000 0.938 78 K CB -0.127 31.438 32.500 -1.560 0.000 0.737 78 K HN 0.266 nan 8.250 nan 0.000 0.458 79 W N -0.065 121.266 121.300 0.051 0.000 2.518 79 W HA 0.171 4.831 4.660 0.000 0.000 0.352 79 W C -0.166 176.377 176.519 0.040 0.000 0.952 79 W CA -0.569 56.803 57.345 0.046 0.000 1.624 79 W CB 0.281 29.756 29.460 0.025 0.000 1.135 79 W HN -0.034 nan 8.180 nan 0.000 0.540 80 D N 0.227 120.756 120.400 0.216 0.000 2.390 80 D HA -0.060 4.580 4.640 0.000 0.000 0.235 80 D C 0.754 176.961 176.300 -0.154 0.000 1.040 80 D CA 1.289 55.329 54.000 0.067 0.000 0.923 80 D CB 0.034 40.856 40.800 0.036 0.000 0.886 80 D HN 0.315 nan 8.370 nan 0.000 0.532 81 H N -1.534 117.576 119.070 0.067 0.000 3.360 81 H HA 0.156 4.712 4.556 0.000 0.000 0.262 81 H C 0.524 175.882 175.328 0.049 0.000 1.149 81 H CA -0.413 55.660 56.048 0.042 0.000 1.181 81 H CB 0.390 30.162 29.762 0.016 0.000 1.564 81 H HN -0.087 nan 8.280 nan 0.000 0.565 82 N N 2.386 121.178 118.700 0.153 0.000 2.221 82 N HA 0.015 4.755 4.740 0.000 0.000 0.239 82 N C -2.291 173.261 175.510 0.069 0.000 1.328 82 N CA -0.652 52.469 53.050 0.119 0.000 0.878 82 N CB -0.245 38.328 38.487 0.144 0.000 1.083 82 N HN 0.125 nan 8.380 nan 0.000 0.471 83 P HA 0.141 nan 4.420 nan 0.000 0.281 83 P C -0.520 176.788 177.300 0.015 0.000 1.249 83 P CA -0.277 62.840 63.100 0.027 0.000 0.810 83 P CB 0.768 32.483 31.700 0.024 0.000 1.008 84 A N 2.191 125.011 122.820 -0.001 0.000 2.298 84 A HA -0.175 4.145 4.320 0.000 0.000 0.215 84 A C 2.013 179.590 177.584 -0.011 0.000 1.193 84 A CA 1.997 54.026 52.037 -0.013 0.000 0.697 84 A CB -1.364 17.621 19.000 -0.025 0.000 0.774 84 A HN 0.683 nan 8.150 nan 0.000 0.492 85 S N -0.906 114.792 115.700 -0.002 0.000 2.427 85 S HA 0.126 4.596 4.470 0.000 0.000 0.224 85 S C 1.573 176.171 174.600 -0.003 0.000 1.047 85 S CA 0.667 58.865 58.200 -0.003 0.000 0.953 85 S CB -0.469 62.733 63.200 0.002 0.000 0.824 85 S HN 0.410 nan 8.310 nan 0.000 0.502 86 L N 1.303 122.533 121.223 0.011 0.000 2.599 86 L HA 0.213 4.553 4.340 0.000 0.000 0.230 86 L C 0.482 177.352 176.870 0.000 0.000 1.141 86 L CA -0.149 54.699 54.840 0.014 0.000 0.877 86 L CB -0.182 41.907 42.059 0.051 0.000 1.009 86 L HN 0.144 nan 8.230 nan 0.000 0.447 87 R N 0.592 121.092 120.500 0.000 0.000 2.640 87 R HA -0.012 4.328 4.340 0.000 0.000 0.270 87 R C -1.479 174.781 176.300 -0.068 0.000 1.024 87 R CA -1.457 54.638 56.100 -0.008 0.000 1.085 87 R CB -0.351 29.943 30.300 -0.009 0.000 0.963 87 R HN -0.099 nan 8.270 nan 0.000 0.426 88 P HA -0.171 nan 4.420 nan 0.000 0.214 88 P C 0.583 177.814 177.300 -0.114 0.000 1.163 88 P CA 1.316 64.299 63.100 -0.195 0.000 0.889 88 P CB 0.262 31.828 31.700 -0.224 0.000 0.790 89 E N -0.369 119.790 120.200 -0.069 0.000 2.219 89 E HA -0.226 4.124 4.350 0.000 0.000 0.198 89 E C 1.816 178.391 176.600 -0.042 0.000 0.998 89 E CA 1.258 57.630 56.400 -0.048 0.000 0.818 89 E CB -0.660 29.020 29.700 -0.034 0.000 0.741 89 E HN 0.195 nan 8.360 nan 0.000 0.477 90 K N 0.373 120.747 120.400 -0.044 0.000 1.965 90 K HA -0.066 4.254 4.320 0.000 0.000 0.214 90 K C 2.173 178.754 176.600 -0.031 0.000 1.046 90 K CA 1.733 58.000 56.287 -0.033 0.000 0.944 90 K CB -1.026 31.456 32.500 -0.031 0.000 0.726 90 K HN 0.175 nan 8.250 nan 0.000 0.441 91 G N 1.036 109.808 108.800 -0.047 0.000 2.562 91 G HA2 -0.286 3.674 3.960 0.000 0.000 0.223 91 G HA3 -0.286 3.674 3.960 0.000 0.000 0.223 91 G C 1.371 176.252 174.900 -0.031 0.000 1.102 91 G CA 1.401 46.475 45.100 -0.043 0.000 0.742 91 G HN 0.312 nan 8.290 nan 0.000 0.587 92 L N 0.214 121.416 121.223 -0.035 0.000 2.022 92 L HA 0.251 4.591 4.340 0.000 0.000 0.204 92 L C 2.766 179.634 176.870 -0.004 0.000 1.076 92 L CA 1.204 56.031 54.840 -0.023 0.000 0.749 92 L CB -0.791 41.249 42.059 -0.032 0.000 0.903 92 L HN 0.205 nan 8.230 nan 0.000 0.439 93 L N -0.217 121.006 121.223 -0.001 0.000 2.043 93 L HA -0.169 4.171 4.340 0.000 0.000 0.212 93 L C 2.533 179.422 176.870 0.030 0.000 1.075 93 L CA 1.410 56.263 54.840 0.021 0.000 0.752 93 L CB -1.629 40.441 42.059 0.019 0.000 0.891 93 L HN 0.512 nan 8.230 nan 0.000 0.432 94 G N 0.503 109.313 108.800 0.017 0.000 2.446 94 G HA2 -0.308 3.652 3.960 0.000 0.000 0.217 94 G HA3 -0.308 3.652 3.960 0.000 0.000 0.217 94 G C 1.585 176.499 174.900 0.024 0.000 1.168 94 G CA 0.971 46.084 45.100 0.021 0.000 0.771 94 G HN 0.267 nan 8.290 nan 0.000 0.551 95 L N 0.691 121.925 121.223 0.018 0.000 2.012 95 L HA -0.017 4.323 4.340 0.000 0.000 0.210 95 L C 2.684 179.579 176.870 0.043 0.000 1.073 95 L CA 2.514 57.371 54.840 0.028 0.000 0.748 95 L CB -0.698 41.376 42.059 0.026 0.000 0.891 95 L HN 0.259 nan 8.230 nan 0.000 0.431 96 R N -0.265 120.258 120.500 0.039 0.000 2.091 96 R HA -0.231 4.109 4.340 0.000 0.000 0.238 96 R C 2.510 178.839 176.300 0.049 0.000 1.136 96 R CA 1.965 58.092 56.100 0.044 0.000 0.959 96 R CB -0.323 29.996 30.300 0.031 0.000 0.856 96 R HN 0.487 nan 8.270 nan 0.000 0.437 97 K N 0.222 120.652 120.400 0.049 0.000 2.057 97 K HA -0.223 4.097 4.320 0.000 0.000 0.207 97 K C 1.876 178.497 176.600 0.034 0.000 1.049 97 K CA 1.898 58.214 56.287 0.048 0.000 0.931 97 K CB -0.046 32.490 32.500 0.059 0.000 0.714 97 K HN 0.032 nan 8.250 nan 0.000 0.440 98 E N 0.351 120.569 120.200 0.029 0.000 2.110 98 E HA -0.130 4.221 4.350 0.000 0.000 0.193 98 E C 1.477 178.076 176.600 -0.002 0.000 0.988 98 E CA 1.387 57.795 56.400 0.014 0.000 0.804 98 E CB 0.059 29.767 29.700 0.014 0.000 0.745 98 E HN 0.283 nan 8.360 nan 0.000 0.458 99 M N -1.041 118.571 119.600 0.021 0.000 2.561 99 M HA 0.277 4.757 4.480 0.000 0.000 0.238 99 M C 1.109 177.416 176.300 0.012 0.000 1.131 99 M CA 0.826 56.121 55.300 -0.007 0.000 1.046 99 M CB -0.428 32.268 32.600 0.161 0.000 1.532 99 M HN 0.239 nan 8.290 nan 0.000 0.497 100 G N 1.964 110.786 108.800 0.035 0.000 2.221 100 G HA2 -0.242 3.718 3.960 0.000 0.000 0.265 100 G HA3 -0.242 3.718 3.960 0.000 0.000 0.265 100 G C -0.045 174.915 174.900 0.101 0.000 1.041 100 G CA -0.116 45.026 45.100 0.070 0.000 0.807 100 G HN 0.470 nan 8.290 nan 0.000 0.502 101 L N -0.042 121.213 121.223 0.054 0.000 2.360 101 L HA 0.487 4.827 4.340 0.000 0.000 0.276 101 L C 1.531 178.407 176.870 0.009 0.000 1.121 101 L CA -0.482 54.332 54.840 -0.044 0.000 0.845 101 L CB 0.285 42.312 42.059 -0.054 0.000 1.143 101 L HN 0.322 nan 8.230 nan 0.000 0.452 102 F N 0.847 120.790 119.950 -0.011 0.000 2.706 102 F HA 0.703 5.230 4.527 0.000 0.000 0.313 102 F C 0.402 176.200 175.800 -0.003 0.000 1.096 102 F CA -0.748 57.243 58.000 -0.016 0.000 1.219 102 F CB 0.112 39.102 39.000 -0.016 0.000 1.051 102 F HN 0.266 nan 8.300 nan 0.000 0.568 103 A N 1.100 123.811 122.820 -0.182 0.000 2.455 103 A HA 0.627 4.947 4.320 0.000 0.000 0.300 103 A C -1.689 175.822 177.584 -0.121 0.000 1.040 103 A CA -0.667 51.322 52.037 -0.079 0.000 0.697 103 A CB 0.980 19.905 19.000 -0.125 0.000 1.265 103 A HN 0.247 nan 8.150 nan 0.000 0.407 104 N N 1.153 119.825 118.700 -0.047 0.000 2.392 104 N HA 0.638 5.378 4.740 0.000 0.000 0.283 104 N C -1.531 173.949 175.510 -0.049 0.000 1.003 104 N CA -0.331 52.685 53.050 -0.058 0.000 0.892 104 N CB 0.920 39.398 38.487 -0.015 0.000 1.193 104 N HN 0.442 nan 8.380 nan 0.000 0.487 105 L N 2.712 123.897 121.223 -0.064 0.000 2.282 105 L HA 0.531 4.871 4.340 0.000 0.000 0.288 105 L C 0.235 177.115 176.870 0.017 0.000 1.033 105 L CA -0.311 54.506 54.840 -0.039 0.000 0.807 105 L CB 1.366 43.376 42.059 -0.082 0.000 1.209 105 L HN 0.489 nan 8.230 nan 0.000 0.423 106 R N 4.052 124.564 120.500 0.020 0.000 2.564 106 R HA 0.359 4.699 4.340 0.000 0.000 0.282 106 R C -2.522 173.803 176.300 0.042 0.000 1.573 106 R CA -1.614 54.507 56.100 0.035 0.000 1.588 106 R CB 0.792 31.105 30.300 0.020 0.000 1.154 106 R HN 0.294 nan 8.270 nan 0.000 0.606 107 P HA 0.020 nan 4.420 nan 0.000 0.270 107 P C -0.666 176.665 177.300 0.052 0.000 1.242 107 P CA 0.081 63.222 63.100 0.069 0.000 0.768 107 P CB 1.369 33.134 31.700 0.109 0.000 0.820 108 V N 5.640 125.574 119.914 0.032 0.000 2.378 108 V HA 0.360 4.480 4.120 0.000 0.000 0.288 108 V C 0.383 176.474 176.094 -0.005 0.000 1.016 108 V CA -0.298 62.017 62.300 0.024 0.000 0.840 108 V CB 1.622 33.459 31.823 0.024 0.000 0.994 108 V HN 0.522 nan 8.190 nan 0.000 0.431 109 K N 4.929 125.302 120.400 -0.044 0.000 2.545 109 K HA 0.741 5.061 4.320 0.000 0.000 0.252 109 K C -0.233 176.219 176.600 -0.246 0.000 0.948 109 K CA -0.397 55.803 56.287 -0.145 0.000 0.827 109 K CB 2.000 34.378 32.500 -0.203 0.000 1.128 109 K HN 0.713 nan 8.250 nan 0.000 0.429 110 A N 3.566 126.288 122.820 -0.163 0.000 2.448 110 A HA 0.238 4.558 4.320 0.000 0.000 0.239 110 A C -1.179 176.250 177.584 -0.259 0.000 1.080 110 A CA 0.268 52.237 52.037 -0.112 0.000 0.779 110 A CB -0.060 18.918 19.000 -0.037 0.000 1.026 110 A HN 0.667 nan 8.150 nan 0.000 0.499 111 Y N 0.203 120.513 120.300 0.018 0.000 2.350 111 Y HA 0.457 5.007 4.550 0.000 0.000 0.338 111 Y C 1.232 177.138 175.900 0.011 0.000 0.961 111 Y CA 0.109 58.217 58.100 0.015 0.000 1.100 111 Y CB 1.879 40.348 38.460 0.015 0.000 1.179 111 Y HN 0.812 nan 8.280 nan 0.000 0.454 112 A N 1.739 124.651 122.820 0.154 0.000 1.958 112 A HA -0.219 4.101 4.320 0.000 0.000 0.221 112 A C 1.963 179.599 177.584 0.087 0.000 1.178 112 A CA 2.710 54.801 52.037 0.091 0.000 0.642 112 A CB -0.813 18.228 19.000 0.069 0.000 0.816 112 A HN 0.834 nan 8.150 nan 0.000 0.453 113 T N -0.271 114.348 114.554 0.109 0.000 2.951 113 T HA 0.088 4.438 4.350 0.000 0.000 0.268 113 T C 1.299 176.029 174.700 0.050 0.000 1.073 113 T CA 1.229 63.364 62.100 0.058 0.000 1.134 113 T CB -0.179 68.707 68.868 0.029 0.000 0.884 113 T HN 0.402 nan 8.240 nan 0.000 0.479 114 L N 0.449 121.724 121.223 0.086 0.000 2.728 114 L HA 0.364 4.704 4.340 0.000 0.000 0.238 114 L C 1.613 178.524 176.870 0.067 0.000 1.143 114 L CA -0.048 54.833 54.840 0.068 0.000 0.937 114 L CB -0.299 41.807 42.059 0.079 0.000 1.225 114 L HN 0.169 nan 8.230 nan 0.000 0.507 115 L N -0.013 121.249 121.223 0.065 0.000 2.189 115 L HA -0.231 4.109 4.340 0.000 0.000 0.214 115 L C 1.847 178.738 176.870 0.035 0.000 1.097 115 L CA 1.373 56.242 54.840 0.049 0.000 0.764 115 L CB -0.618 41.465 42.059 0.040 0.000 0.900 115 L HN 0.421 nan 8.230 nan 0.000 0.436 116 N N -0.015 118.702 118.700 0.029 0.000 2.364 116 N HA -0.107 4.633 4.740 0.000 0.000 0.183 116 N C 1.634 177.156 175.510 0.021 0.000 1.022 116 N CA 1.003 54.066 53.050 0.021 0.000 0.883 116 N CB -0.020 38.476 38.487 0.015 0.000 0.965 116 N HN 0.312 nan 8.380 nan 0.000 0.438 117 A N -0.846 121.990 122.820 0.027 0.000 2.238 117 A HA 0.140 4.460 4.320 0.000 0.000 0.208 117 A C 0.931 178.532 177.584 0.029 0.000 1.177 117 A CA -0.008 52.044 52.037 0.026 0.000 0.804 117 A CB 0.002 19.019 19.000 0.028 0.000 0.823 117 A HN 0.181 nan 8.150 nan 0.000 0.482 118 S N 0.092 115.811 115.700 0.031 0.000 2.513 118 S HA 0.414 4.884 4.470 0.000 0.000 0.276 118 S C -1.659 172.956 174.600 0.024 0.000 1.254 118 S CA -1.340 56.878 58.200 0.031 0.000 1.053 118 S CB 0.916 64.136 63.200 0.034 0.000 0.958 118 S HN 0.140 nan 8.310 nan 0.000 0.491 119 P HA 0.060 nan 4.420 nan 0.000 0.225 119 P C -0.439 176.872 177.300 0.018 0.000 1.148 119 P CA 0.812 63.924 63.100 0.019 0.000 0.779 119 P CB 0.018 31.730 31.700 0.020 0.000 0.780 120 L N -1.624 119.611 121.223 0.020 0.000 2.358 120 L HA 0.401 4.741 4.340 0.000 0.000 0.268 120 L C 0.512 177.392 176.870 0.016 0.000 1.032 120 L CA -1.396 53.455 54.840 0.018 0.000 0.805 120 L CB 0.725 42.797 42.059 0.021 0.000 1.253 120 L HN -0.316 nan 8.230 nan 0.000 0.452 121 K N -0.034 120.374 120.400 0.013 0.000 2.295 121 K HA 0.143 4.463 4.320 0.000 0.000 0.270 121 K C 1.265 177.871 176.600 0.011 0.000 1.011 121 K CA -0.529 55.764 56.287 0.011 0.000 0.953 121 K CB 1.191 33.696 32.500 0.008 0.000 0.956 121 K HN 0.342 nan 8.250 nan 0.000 0.477 122 R N 1.815 122.321 120.500 0.011 0.000 2.140 122 R HA -0.208 4.132 4.340 0.000 0.000 0.250 122 R C 1.831 178.135 176.300 0.007 0.000 1.150 122 R CA 2.139 58.245 56.100 0.010 0.000 0.966 122 R CB -1.086 29.220 30.300 0.009 0.000 0.869 122 R HN 0.751 nan 8.270 nan 0.000 0.445 123 E N 0.444 120.647 120.200 0.005 0.000 2.077 123 E HA -0.095 4.255 4.350 0.000 0.000 0.193 123 E C 2.118 178.719 176.600 0.002 0.000 0.989 123 E CA 1.112 57.513 56.400 0.002 0.000 0.800 123 E CB -0.193 29.507 29.700 -0.000 0.000 0.746 123 E HN 0.315 nan 8.360 nan 0.000 0.452 124 R N 0.156 120.659 120.500 0.005 0.000 2.299 124 R HA 0.150 4.490 4.340 0.000 0.000 0.197 124 R C 1.653 177.962 176.300 0.014 0.000 0.971 124 R CA 0.363 56.468 56.100 0.008 0.000 1.030 124 R CB 0.121 30.428 30.300 0.012 0.000 0.932 124 R HN 0.194 nan 8.270 nan 0.000 0.477 125 V N 0.889 120.810 119.914 0.013 0.000 3.251 125 V HA 0.010 4.130 4.120 0.000 0.000 0.239 125 V C 0.384 176.483 176.094 0.008 0.000 1.332 125 V CA -0.013 62.297 62.300 0.016 0.000 1.224 125 V CB 0.490 32.326 31.823 0.021 0.000 1.004 125 V HN 0.315 nan 8.190 nan 0.000 0.464 126 E N 0.875 121.078 120.200 0.005 0.000 2.458 126 E HA -0.076 4.274 4.350 0.000 0.000 0.264 126 E C 0.248 176.842 176.600 -0.009 0.000 1.097 126 E CA 0.526 56.925 56.400 -0.002 0.000 0.973 126 E CB 0.029 29.730 29.700 0.002 0.000 0.963 126 E HN 0.411 nan 8.360 nan 0.000 0.451 127 N N -0.970 117.717 118.700 -0.020 0.000 2.965 127 N HA -0.151 4.589 4.740 0.000 0.000 0.232 127 N C -0.938 174.561 175.510 -0.018 0.000 0.913 127 N CA 0.970 54.007 53.050 -0.021 0.000 0.981 127 N CB -1.300 37.178 38.487 -0.015 0.000 1.077 127 N HN 0.352 nan 8.380 nan 0.000 0.589 128 V N 1.444 121.348 119.914 -0.018 0.000 2.488 128 V HA 0.338 4.458 4.120 0.000 0.000 0.277 128 V C 0.311 176.391 176.094 -0.024 0.000 1.046 128 V CA 0.059 62.358 62.300 -0.002 0.000 0.986 128 V CB 1.734 33.564 31.823 0.012 0.000 0.989 128 V HN 0.134 nan 8.190 nan 0.000 0.475 129 D N 4.740 125.140 120.400 0.001 0.000 2.351 129 D HA 0.439 5.079 4.640 0.000 0.000 0.235 129 D C -1.070 175.247 176.300 0.028 0.000 1.331 129 D CA -0.330 53.665 54.000 -0.008 0.000 0.959 129 D CB 1.131 41.918 40.800 -0.022 0.000 1.432 129 D HN 0.351 nan 8.370 nan 0.000 0.544 130 L N 0.258 121.502 121.223 0.034 0.000 2.301 130 L HA 0.926 5.266 4.340 0.000 0.000 0.249 130 L C -1.388 175.500 176.870 0.029 0.000 1.069 130 L CA -1.003 53.866 54.840 0.048 0.000 0.865 130 L CB 1.695 43.798 42.059 0.074 0.000 1.467 130 L HN -0.069 nan 8.230 nan 0.000 0.419 131 V N 1.053 120.976 119.914 0.015 0.000 2.655 131 V HA 0.487 4.607 4.120 0.000 0.000 0.301 131 V C -0.478 175.598 176.094 -0.031 0.000 1.082 131 V CA -0.290 62.014 62.300 0.007 0.000 0.899 131 V CB 1.590 33.426 31.823 0.022 0.000 1.014 131 V HN 0.694 nan 8.190 nan 0.000 0.429 132 I N 4.249 124.797 120.570 -0.037 0.000 2.396 132 I HA 0.499 4.669 4.170 0.000 0.000 0.292 132 I C -0.511 175.587 176.117 -0.032 0.000 0.999 132 I CA -0.788 60.478 61.300 -0.057 0.000 1.310 132 I CB 1.878 39.842 38.000 -0.060 0.000 1.404 132 I HN 0.292 nan 8.210 nan 0.000 0.496 133 V N 7.027 126.926 119.914 -0.025 0.000 2.378 133 V HA 0.426 4.546 4.120 0.000 0.000 0.288 133 V C 0.026 176.144 176.094 0.040 0.000 1.016 133 V CA -0.677 61.619 62.300 -0.007 0.000 0.840 133 V CB 1.561 33.371 31.823 -0.020 0.000 0.994 133 V HN 0.689 nan 8.190 nan 0.000 0.431 134 R N 3.419 123.947 120.500 0.046 0.000 2.445 134 R HA 0.394 4.734 4.340 0.000 0.000 0.308 134 R C -0.381 175.990 176.300 0.118 0.000 0.961 134 R CA -0.601 55.545 56.100 0.077 0.000 0.862 134 R CB 1.573 31.906 30.300 0.056 0.000 1.144 134 R HN 0.718 nan 8.270 nan 0.000 0.447 135 E N 4.602 124.907 120.200 0.175 0.000 2.360 135 E HA 0.038 4.388 4.350 0.000 0.000 0.269 135 E C 0.004 176.704 176.600 0.168 0.000 1.022 135 E CA 0.113 56.653 56.400 0.233 0.000 0.887 135 E CB 1.008 30.916 29.700 0.346 0.000 0.990 135 E HN 0.661 nan 8.360 nan 0.000 0.426 136 L N 2.880 124.192 121.223 0.149 0.000 2.858 136 L HA 0.080 4.420 4.340 0.000 0.000 0.251 136 L C 1.784 178.604 176.870 -0.082 0.000 1.149 136 L CA 0.465 55.361 54.840 0.094 0.000 0.955 136 L CB 0.307 42.422 42.059 0.094 0.000 1.289 136 L HN 0.539 nan 8.230 nan 0.000 0.542 137 T N -3.671 110.786 114.554 -0.161 0.000 3.038 137 T HA 0.252 4.602 4.350 0.000 0.000 0.244 137 T C 1.075 175.321 174.700 -0.756 0.000 1.016 137 T CA 0.562 62.359 62.100 -0.505 0.000 1.098 137 T CB 0.265 68.994 68.868 -0.232 0.000 0.954 137 T HN 0.143 nan 8.240 nan 0.000 0.469 138 G N 0.069 108.615 108.800 -0.423 0.000 2.782 138 G HA2 0.598 4.558 3.960 0.000 0.000 0.201 138 G HA3 0.598 4.558 3.960 0.000 0.000 0.201 138 G C 0.575 175.024 174.900 -0.753 0.000 1.374 138 G CA -0.248 44.478 45.100 -0.623 0.000 1.039 138 G HN 1.216 nan 8.290 nan 0.000 0.576 139 G N -1.655 106.314 108.800 -1.386 0.000 2.568 139 G HA2 0.014 3.974 3.960 0.000 0.000 0.222 139 G HA3 0.014 3.974 3.960 0.000 0.000 0.222 139 G C 0.659 175.386 174.900 -0.288 0.000 1.321 139 G CA 0.294 44.907 45.100 -0.811 0.000 0.893 139 G HN 1.437 nan 8.290 nan 0.000 0.569 140 L N -0.906 120.194 121.223 -0.205 0.000 2.179 140 L HA 0.267 4.607 4.340 0.000 0.000 0.208 140 L C 2.680 179.595 176.870 0.075 0.000 1.096 140 L CA 1.867 56.661 54.840 -0.077 0.000 0.779 140 L CB -0.638 41.357 42.059 -0.106 0.000 0.922 140 L HN 0.621 nan 8.230 nan 0.000 0.443 141 Y N -1.079 119.208 120.300 -0.023 0.000 2.556 141 Y HA -0.160 4.390 4.550 0.000 0.000 0.290 141 Y C 1.520 177.102 175.900 -0.529 0.000 1.149 141 Y CA 0.695 58.668 58.100 -0.212 0.000 1.329 141 Y CB -0.720 37.636 38.460 -0.173 0.000 0.975 141 Y HN 0.251 nan 8.280 nan 0.000 0.561 142 F N -2.180 117.789 119.950 0.031 0.000 2.880 142 F HA 0.368 4.895 4.527 0.000 0.000 0.346 142 F C 1.757 177.529 175.800 -0.046 0.000 1.054 142 F CA -0.387 57.603 58.000 -0.016 0.000 1.151 142 F CB -0.269 38.707 39.000 -0.039 0.000 1.066 142 F HN -0.210 nan 8.300 nan 0.000 0.566 143 G N 1.564 110.420 108.800 0.092 0.000 2.568 143 G HA2 0.339 4.299 3.960 0.000 0.000 0.231 143 G HA3 0.339 4.299 3.960 0.000 0.000 0.231 143 G C -0.373 174.539 174.900 0.021 0.000 1.261 143 G CA -0.064 45.053 45.100 0.028 0.000 0.855 143 G HN 0.098 nan 8.290 nan 0.000 0.576 144 R N 1.204 121.713 120.500 0.014 0.000 2.673 144 R HA 0.586 4.926 4.340 0.000 0.000 0.281 144 R C -2.243 174.060 176.300 0.005 0.000 0.991 144 R CA -1.084 55.021 56.100 0.008 0.000 0.896 144 R CB 1.951 32.259 30.300 0.013 0.000 1.201 144 R HN 0.838 nan 8.270 nan 0.000 0.457 145 P HA 0.311 nan 4.420 nan 0.000 0.274 145 P C -0.812 176.486 177.300 -0.004 0.000 1.231 145 P CA -0.281 62.818 63.100 -0.001 0.000 0.790 145 P CB 1.404 33.103 31.700 -0.001 0.000 0.951 146 S N 1.227 116.922 115.700 -0.009 0.000 2.524 146 S HA 0.422 4.892 4.470 0.000 0.000 0.227 146 S C -0.721 173.870 174.600 -0.016 0.000 1.304 146 S CA -0.463 57.728 58.200 -0.014 0.000 1.185 146 S CB -0.216 62.969 63.200 -0.024 0.000 1.104 146 S HN 0.696 nan 8.310 nan 0.000 0.475 147 E N 3.065 123.258 120.200 -0.012 0.000 2.388 147 E HA 0.299 4.649 4.350 0.000 0.000 0.269 147 E C -1.597 174.998 176.600 -0.008 0.000 1.172 147 E CA -0.877 55.516 56.400 -0.012 0.000 0.887 147 E CB 0.420 30.113 29.700 -0.011 0.000 1.544 147 E HN 0.503 nan 8.360 nan 0.000 0.451 148 R N 0.477 120.972 120.500 -0.008 0.000 2.486 148 R HA 0.697 5.037 4.340 0.000 0.000 0.286 148 R C -0.160 176.137 176.300 -0.004 0.000 0.999 148 R CA -0.727 55.370 56.100 -0.006 0.000 0.993 148 R CB 1.244 31.540 30.300 -0.006 0.000 1.084 148 R HN 0.513 nan 8.270 nan 0.000 0.487 149 R N 0.191 120.689 120.500 -0.003 0.000 2.533 149 R HA 0.384 4.724 4.340 0.000 0.000 0.288 149 R C -0.020 176.279 176.300 -0.001 0.000 1.039 149 R CA -0.904 55.195 56.100 -0.002 0.000 0.909 149 R CB 1.391 31.691 30.300 -0.001 0.000 1.195 149 R HN 0.711 nan 8.270 nan 0.000 0.438 150 G N 2.798 111.597 108.800 -0.001 0.000 2.785 150 G HA2 0.100 4.060 3.960 0.000 0.000 0.256 150 G HA3 0.100 4.060 3.960 0.000 0.000 0.256 150 G C -1.757 173.143 174.900 -0.000 0.000 1.248 150 G CA -0.878 44.222 45.100 -0.001 0.000 0.914 150 G HN 0.525 nan 8.290 nan 0.000 0.580 151 P HA 0.130 nan 4.420 nan 0.000 0.262 151 P C 0.844 178.143 177.300 -0.000 0.000 1.199 151 P CA 1.158 64.258 63.100 -0.000 0.000 0.763 151 P CB 0.633 32.333 31.700 0.000 0.000 0.790 152 G N 3.019 111.818 108.800 -0.001 0.000 2.189 152 G HA2 -0.340 3.620 3.960 0.000 0.000 0.267 152 G HA3 -0.340 3.620 3.960 0.000 0.000 0.267 152 G C 0.345 175.244 174.900 -0.001 0.000 0.975 152 G CA 0.433 45.532 45.100 -0.001 0.000 0.644 152 G HN 0.590 nan 8.290 nan 0.000 0.537 153 E N -1.425 118.774 120.200 -0.001 0.000 2.553 153 E HA -0.205 4.145 4.350 0.000 0.000 0.264 153 E C 0.573 177.172 176.600 -0.002 0.000 1.068 153 E CA 0.700 57.099 56.400 -0.002 0.000 0.774 153 E CB -1.774 27.925 29.700 -0.003 0.000 1.349 153 E HN 0.842 nan 8.360 nan 0.000 0.404 154 N N 0.613 119.312 118.700 -0.001 0.000 2.362 154 N HA 0.014 4.754 4.740 0.000 0.000 0.204 154 N C -0.313 175.196 175.510 -0.000 0.000 1.166 154 N CA 0.311 53.361 53.050 -0.001 0.000 0.831 154 N CB 0.336 38.823 38.487 -0.000 0.000 1.008 154 N HN 0.266 nan 8.380 nan 0.000 0.472 155 E N 0.734 120.934 120.200 -0.001 0.000 2.293 155 E HA 0.460 4.810 4.350 0.000 0.000 0.270 155 E C -1.492 175.107 176.600 -0.001 0.000 0.879 155 E CA -0.625 55.775 56.400 -0.000 0.000 0.756 155 E CB 3.276 32.977 29.700 0.001 0.000 1.208 155 E HN -0.188 nan 8.360 nan 0.000 0.428 156 V N 2.616 122.530 119.914 -0.001 0.000 2.925 156 V HA 0.747 4.867 4.120 0.000 0.000 0.311 156 V C -1.390 174.704 176.094 -0.001 0.000 1.104 156 V CA -0.583 61.716 62.300 -0.002 0.000 0.954 156 V CB 2.034 33.855 31.823 -0.003 0.000 1.022 156 V HN 0.531 nan 8.190 nan 0.000 0.427 157 V N 1.994 121.907 119.914 -0.002 0.000 3.049 157 V HA 0.797 4.917 4.120 0.000 0.000 0.309 157 V C -1.428 174.664 176.094 -0.003 0.000 1.148 157 V CA -0.588 61.711 62.300 -0.001 0.000 0.990 157 V CB 2.313 34.136 31.823 0.000 0.000 1.039 157 V HN 0.844 nan 8.190 nan 0.000 0.430 158 D N 1.331 121.731 120.400 -0.001 0.000 2.601 158 D HA 0.644 5.284 4.640 0.000 0.000 0.230 158 D C -0.999 175.299 176.300 -0.003 0.000 1.106 158 D CA -0.206 53.793 54.000 -0.002 0.000 0.873 158 D CB 2.620 43.422 40.800 0.003 0.000 1.515 158 D HN 0.799 nan 8.370 nan 0.000 0.468 159 T N 1.445 115.996 114.554 -0.005 0.000 2.809 159 T HA 0.234 4.584 4.350 0.000 0.000 0.284 159 T C -0.187 174.499 174.700 -0.023 0.000 0.992 159 T CA -0.594 61.502 62.100 -0.008 0.000 0.957 159 T CB 0.948 69.814 68.868 -0.003 0.000 0.942 159 T HN 0.111 nan 8.240 nan 0.000 0.439 160 L N 4.341 125.547 121.223 -0.029 0.000 2.334 160 L HA 0.715 5.055 4.340 0.000 0.000 0.286 160 L C -0.157 176.689 176.870 -0.040 0.000 1.108 160 L CA -0.798 54.007 54.840 -0.059 0.000 0.875 160 L CB -1.000 41.030 42.059 -0.048 0.000 1.246 160 L HN 0.696 nan 8.230 nan 0.000 0.439 161 A N 4.928 127.687 122.820 -0.102 0.000 2.287 161 A HA 0.699 5.019 4.320 0.000 0.000 0.317 161 A C -1.430 176.056 177.584 -0.163 0.000 1.220 161 A CA -0.354 51.642 52.037 -0.067 0.000 0.835 161 A CB 0.422 19.397 19.000 -0.041 0.000 1.180 161 A HN 0.658 nan 8.150 nan 0.000 0.500 162 Y N 0.107 120.414 120.300 0.011 0.000 2.605 162 Y HA 0.699 5.249 4.550 0.000 0.000 0.343 162 Y C 0.628 176.532 175.900 0.005 0.000 1.036 162 Y CA -0.225 57.883 58.100 0.014 0.000 1.065 162 Y CB 2.647 41.138 38.460 0.051 0.000 1.288 162 Y HN 0.760 nan 8.280 nan 0.000 0.481 163 T N -1.508 113.177 114.554 0.219 0.000 2.886 163 T HA 0.345 4.695 4.350 0.000 0.000 0.292 163 T C 0.749 175.479 174.700 0.050 0.000 1.012 163 T CA -0.922 61.232 62.100 0.090 0.000 0.982 163 T CB 1.938 70.826 68.868 0.034 0.000 1.018 163 T HN 0.794 nan 8.240 nan 0.000 0.451 164 R N 1.667 122.175 120.500 0.013 0.000 2.189 164 R HA -0.297 4.043 4.340 0.000 0.000 0.252 164 R C 1.988 178.247 176.300 -0.068 0.000 1.134 164 R CA 2.737 58.818 56.100 -0.031 0.000 0.954 164 R CB -0.554 29.727 30.300 -0.031 0.000 0.890 164 R HN 0.928 nan 8.270 nan 0.000 0.443 165 E N -0.028 120.133 120.200 -0.065 0.000 2.085 165 E HA -0.253 4.097 4.350 0.000 0.000 0.194 165 E C 1.718 178.225 176.600 -0.156 0.000 0.994 165 E CA 1.860 58.196 56.400 -0.106 0.000 0.801 165 E CB -0.054 29.590 29.700 -0.094 0.000 0.743 165 E HN 0.613 nan 8.360 nan 0.000 0.453 166 E N 0.314 120.455 120.200 -0.100 0.000 2.077 166 E HA -0.174 4.176 4.350 0.000 0.000 0.193 166 E C 2.279 178.806 176.600 -0.122 0.000 0.989 166 E CA 1.362 57.704 56.400 -0.098 0.000 0.800 166 E CB -0.121 29.631 29.700 0.086 0.000 0.746 166 E HN 0.426 nan 8.360 nan 0.000 0.452 167 I N 1.306 121.799 120.570 -0.128 0.000 2.315 167 I HA -0.234 3.936 4.170 0.000 0.000 0.248 167 I C 2.203 178.085 176.117 -0.392 0.000 1.117 167 I CA 1.127 62.233 61.300 -0.325 0.000 1.404 167 I CB -0.342 37.464 38.000 -0.324 0.000 1.071 167 I HN 0.094 nan 8.210 nan 0.000 0.419 168 E N 1.241 121.285 120.200 -0.261 0.000 2.051 168 E HA -0.240 4.110 4.350 0.000 0.000 0.192 168 E C 2.283 178.772 176.600 -0.185 0.000 0.991 168 E CA 1.334 57.607 56.400 -0.212 0.000 0.799 168 E CB -0.190 29.423 29.700 -0.146 0.000 0.748 168 E HN 0.583 nan 8.360 nan 0.000 0.449 169 R N 0.905 121.260 120.500 -0.242 0.000 2.070 169 R HA -0.132 4.208 4.340 0.000 0.000 0.233 169 R C 2.396 178.673 176.300 -0.037 0.000 1.137 169 R CA 1.422 57.383 56.100 -0.233 0.000 0.945 169 R CB -0.845 29.043 30.300 -0.687 0.000 0.845 169 R HN 0.089 nan 8.270 nan 0.000 0.430 170 I N 1.726 122.258 120.570 -0.063 0.000 2.264 170 I HA -0.176 3.994 4.170 0.000 0.000 0.248 170 I C 2.075 178.194 176.117 0.003 0.000 1.111 170 I CA 1.233 62.612 61.300 0.131 0.000 1.382 170 I CB -0.019 38.061 38.000 0.132 0.000 1.060 170 I HN 0.243 nan 8.210 nan 0.000 0.418 171 I N -0.148 120.329 120.570 -0.155 0.000 2.928 171 I HA -0.151 4.019 4.170 0.000 0.000 0.266 171 I C 2.171 178.336 176.117 0.080 0.000 1.234 171 I CA 0.843 62.058 61.300 -0.141 0.000 1.483 171 I CB -0.296 37.512 38.000 -0.319 0.000 1.097 171 I HN 0.295 nan 8.210 nan 0.000 0.455 172 E N 1.534 121.777 120.200 0.072 0.000 2.122 172 E HA -0.199 4.151 4.350 0.000 0.000 0.190 172 E C 2.021 178.676 176.600 0.091 0.000 0.977 172 E CA 0.927 57.410 56.400 0.139 0.000 0.820 172 E CB 0.156 29.925 29.700 0.114 0.000 0.770 172 E HN 0.056 nan 8.360 nan 0.000 0.462 173 K N -0.078 120.370 120.400 0.079 0.000 2.288 173 K HA 0.112 4.432 4.320 0.000 0.000 0.201 173 K C 1.602 178.166 176.600 -0.060 0.000 1.048 173 K CA 1.024 57.326 56.287 0.026 0.000 0.956 173 K CB -0.181 32.355 32.500 0.060 0.000 0.746 173 K HN 0.189 nan 8.250 nan 0.000 0.461 174 A N -0.279 122.497 122.820 -0.073 0.000 1.874 174 A HA -0.006 4.314 4.320 0.000 0.000 0.214 174 A C 1.888 179.321 177.584 -0.252 0.000 1.189 174 A CA 0.970 52.907 52.037 -0.168 0.000 0.615 174 A CB -0.759 18.119 19.000 -0.203 0.000 0.830 174 A HN 0.300 nan 8.150 nan 0.000 0.443 175 F N 0.734 120.508 119.950 -0.292 0.000 2.161 175 F HA -0.229 4.298 4.527 0.000 0.000 0.300 175 F C 2.757 178.210 175.800 -0.580 0.000 1.089 175 F CA 2.035 59.717 58.000 -0.530 0.000 1.282 175 F CB -0.416 38.022 39.000 -0.936 0.000 1.010 175 F HN 0.330 nan 8.300 nan 0.000 0.485 176 Q N -0.291 119.351 119.800 -0.263 0.000 2.119 176 Q HA -0.179 4.161 4.340 0.000 0.000 0.201 176 Q C 2.392 178.348 176.000 -0.073 0.000 0.972 176 Q CA 1.248 56.975 55.803 -0.127 0.000 0.847 176 Q CB -0.395 28.330 28.738 -0.021 0.000 0.903 176 Q HN 0.463 nan 8.270 nan 0.000 0.433 177 L N 0.391 121.551 121.223 -0.106 0.000 1.994 177 L HA -0.195 4.145 4.340 0.000 0.000 0.208 177 L C 2.360 179.201 176.870 -0.049 0.000 1.071 177 L CA 1.288 56.074 54.840 -0.090 0.000 0.745 177 L CB -0.452 41.519 42.059 -0.146 0.000 0.892 177 L HN 0.252 nan 8.230 nan 0.000 0.431 178 A N -0.633 122.133 122.820 -0.089 0.000 1.908 178 A HA -0.319 4.001 4.320 0.000 0.000 0.218 178 A C 2.063 179.641 177.584 -0.010 0.000 1.181 178 A CA 1.891 53.890 52.037 -0.063 0.000 0.627 178 A CB -0.679 18.245 19.000 -0.128 0.000 0.818 178 A HN 0.565 nan 8.150 nan 0.000 0.445 179 Q N 0.201 119.997 119.800 -0.007 0.000 2.443 179 Q HA -0.085 4.255 4.340 0.000 0.000 0.213 179 Q C 1.242 177.279 176.000 0.060 0.000 0.982 179 Q CA 1.687 57.522 55.803 0.053 0.000 0.894 179 Q CB -0.564 28.227 28.738 0.088 0.000 0.947 179 Q HN 0.873 nan 8.270 nan 0.000 0.480 180 I N -4.673 115.926 120.570 0.049 0.000 4.050 180 I HA 0.367 4.537 4.170 0.000 0.000 0.327 180 I C 0.664 176.817 176.117 0.060 0.000 1.473 180 I CA -0.564 60.774 61.300 0.063 0.000 1.124 180 I CB 0.440 38.489 38.000 0.082 0.000 1.129 180 I HN -0.094 nan 8.210 nan 0.000 0.428 181 R N 1.399 121.927 120.500 0.046 0.000 2.228 181 R HA 0.487 4.827 4.340 0.000 0.000 0.117 181 R C 0.637 176.956 176.300 0.032 0.000 1.672 181 R CA -0.585 55.541 56.100 0.042 0.000 1.446 181 R CB 0.240 30.564 30.300 0.039 0.000 1.215 181 R HN 0.085 nan 8.270 nan 0.000 0.451 182 R N 1.150 121.664 120.500 0.024 0.000 2.586 182 R HA 0.209 4.549 4.340 0.000 0.000 0.336 182 R C -0.519 175.792 176.300 0.019 0.000 1.060 182 R CA -0.016 56.096 56.100 0.020 0.000 1.079 182 R CB 0.386 30.695 30.300 0.015 0.000 1.317 182 R HN 0.326 nan 8.270 nan 0.000 0.568 183 K N 0.971 121.384 120.400 0.021 0.000 3.071 183 K HA -0.236 4.084 4.320 0.000 0.000 0.262 183 K C -0.696 175.914 176.600 0.016 0.000 0.977 183 K CA 1.034 57.338 56.287 0.028 0.000 0.721 183 K CB -0.968 31.561 32.500 0.048 0.000 1.293 183 K HN 0.147 nan 8.250 nan 0.000 0.475 184 K N 0.765 121.160 120.400 -0.009 0.000 2.426 184 K HA 0.496 4.816 4.320 0.000 0.000 0.254 184 K C -1.367 175.196 176.600 -0.063 0.000 0.936 184 K CA -0.897 55.378 56.287 -0.020 0.000 0.801 184 K CB 1.370 33.868 32.500 -0.003 0.000 1.139 184 K HN 0.043 nan 8.250 nan 0.000 0.424 185 L N 2.646 123.802 121.223 -0.111 0.000 2.381 185 L HA 0.665 5.006 4.340 0.000 0.000 0.274 185 L C -1.448 175.341 176.870 -0.135 0.000 0.988 185 L CA -0.290 54.427 54.840 -0.205 0.000 0.824 185 L CB 1.819 43.569 42.059 -0.515 0.000 1.263 185 L HN 0.709 nan 8.230 nan 0.000 0.410 186 A N 3.144 125.929 122.820 -0.057 0.000 2.273 186 A HA 0.680 5.000 4.320 0.000 0.000 0.315 186 A C -0.495 177.099 177.584 0.018 0.000 1.256 186 A CA -0.402 51.645 52.037 0.016 0.000 0.851 186 A CB 0.998 20.094 19.000 0.161 0.000 1.172 186 A HN 0.666 nan 8.150 nan 0.000 0.508 187 S N 2.417 118.156 115.700 0.065 0.000 2.422 187 S HA 0.511 4.981 4.470 0.000 0.000 0.298 187 S C -0.425 174.309 174.600 0.224 0.000 1.118 187 S CA -0.367 57.973 58.200 0.233 0.000 1.083 187 S CB 0.108 63.537 63.200 0.381 0.000 0.971 187 S HN 0.655 nan 8.310 nan 0.000 0.478 188 V N 6.050 126.042 119.914 0.130 0.000 2.398 188 V HA 0.594 4.714 4.120 0.000 0.000 0.286 188 V C -0.299 175.730 176.094 -0.107 0.000 1.026 188 V CA -0.563 61.737 62.300 0.001 0.000 0.868 188 V CB 1.232 33.012 31.823 -0.071 0.000 0.982 188 V HN 1.032 nan 8.190 nan 0.000 0.443 189 D N 3.472 123.806 120.400 -0.110 0.000 2.768 189 D HA 0.478 5.118 4.640 0.000 0.000 0.327 189 D C -0.762 175.466 176.300 -0.119 0.000 1.302 189 D CA -0.908 53.027 54.000 -0.110 0.000 0.897 189 D CB 1.570 42.288 40.800 -0.136 0.000 1.420 189 D HN 0.222 nan 8.370 nan 0.000 0.494 190 K N -0.598 119.798 120.400 -0.008 0.000 3.163 190 K HA 0.677 4.997 4.320 0.000 0.000 0.186 190 K C 0.292 176.902 176.600 0.016 0.000 1.111 190 K CA -0.075 56.196 56.287 -0.027 0.000 0.918 190 K CB 0.296 32.809 32.500 0.023 0.000 1.059 190 K HN 0.505 nan 8.250 nan 0.000 0.558 191 A N 1.167 123.987 122.820 -0.000 0.000 2.070 191 A HA -0.194 4.126 4.320 0.000 0.000 0.220 191 A C 1.453 179.038 177.584 0.002 0.000 1.159 191 A CA 1.705 53.745 52.037 0.005 0.000 0.656 191 A CB -0.793 18.196 19.000 -0.018 0.000 0.800 191 A HN 0.820 nan 8.150 nan 0.000 0.453 192 N N -1.191 117.506 118.700 -0.004 0.000 2.550 192 N HA 0.022 4.762 4.740 0.000 0.000 0.186 192 N C 0.805 176.318 175.510 0.006 0.000 1.110 192 N CA 1.047 54.095 53.050 -0.002 0.000 0.912 192 N CB 0.178 38.661 38.487 -0.007 0.000 0.968 192 N HN 0.242 nan 8.380 nan 0.000 0.448 193 V N -0.130 119.792 119.914 0.014 0.000 3.102 193 V HA 0.200 4.320 4.120 0.000 0.000 0.225 193 V C 0.666 176.779 176.094 0.032 0.000 1.301 193 V CA -0.140 62.173 62.300 0.022 0.000 1.308 193 V CB 0.100 31.938 31.823 0.025 0.000 1.129 193 V HN 0.105 nan 8.190 nan 0.000 0.502 194 L N 1.299 122.549 121.223 0.045 0.000 2.395 194 L HA 0.322 4.662 4.340 0.000 0.000 0.269 194 L C 1.551 178.446 176.870 0.043 0.000 1.133 194 L CA 0.074 54.943 54.840 0.048 0.000 0.812 194 L CB 0.953 43.050 42.059 0.064 0.000 1.125 194 L HN 0.198 nan 8.230 nan 0.000 0.452 195 E N 0.847 121.073 120.200 0.043 0.000 2.158 195 E HA -0.121 4.229 4.350 0.000 0.000 0.191 195 E C 1.892 178.527 176.600 0.059 0.000 0.982 195 E CA 1.426 57.852 56.400 0.044 0.000 0.823 195 E CB 0.156 29.879 29.700 0.040 0.000 0.766 195 E HN 0.695 nan 8.360 nan 0.000 0.468 196 S N -0.743 114.998 115.700 0.069 0.000 2.382 196 S HA -0.090 4.380 4.470 0.000 0.000 0.228 196 S C 2.247 176.903 174.600 0.093 0.000 1.027 196 S CA 1.201 59.456 58.200 0.092 0.000 0.991 196 S CB -0.451 62.820 63.200 0.118 0.000 0.823 196 S HN 0.117 nan 8.310 nan 0.000 0.469 197 S N 1.311 117.049 115.700 0.062 0.000 2.406 197 S HA 0.094 4.564 4.470 0.000 0.000 0.228 197 S C 2.065 176.727 174.600 0.103 0.000 1.020 197 S CA 0.421 58.659 58.200 0.065 0.000 0.965 197 S CB -0.222 63.000 63.200 0.036 0.000 0.798 197 S HN 0.455 nan 8.310 nan 0.000 0.488 198 R N 0.562 121.103 120.500 0.069 0.000 2.081 198 R HA -0.029 4.311 4.340 0.000 0.000 0.235 198 R C 2.420 178.758 176.300 0.065 0.000 1.131 198 R CA 1.388 57.517 56.100 0.048 0.000 0.960 198 R CB -0.388 29.931 30.300 0.032 0.000 0.856 198 R HN 0.445 nan 8.270 nan 0.000 0.436 199 M N -0.023 119.627 119.600 0.083 0.000 2.156 199 M HA -0.156 4.324 4.480 0.000 0.000 0.264 199 M C 2.107 178.469 176.300 0.103 0.000 1.067 199 M CA 1.470 56.814 55.300 0.072 0.000 1.131 199 M CB -0.292 32.347 32.600 0.064 0.000 1.368 199 M HN 0.276 nan 8.290 nan 0.000 0.416 200 W N 1.766 123.028 121.300 -0.063 0.000 2.318 200 W HA -0.282 4.378 4.660 0.000 0.000 0.313 200 W C 2.243 178.752 176.519 -0.018 0.000 1.221 200 W CA 2.214 59.515 57.345 -0.073 0.000 1.266 200 W CB -0.727 28.668 29.460 -0.108 0.000 1.150 200 W HN 0.335 nan 8.180 nan 0.000 0.496 201 R N 0.698 121.374 120.500 0.293 0.000 2.096 201 R HA -0.185 4.155 4.340 0.000 0.000 0.235 201 R C 2.266 178.606 176.300 0.068 0.000 1.127 201 R CA 2.219 58.407 56.100 0.146 0.000 0.968 201 R CB -0.402 29.866 30.300 -0.053 0.000 0.861 201 R HN 0.244 nan 8.270 nan 0.000 0.440 202 E N 0.332 120.554 120.200 0.037 0.000 2.028 202 E HA -0.178 4.172 4.350 0.000 0.000 0.191 202 E C 2.060 178.664 176.600 0.006 0.000 0.988 202 E CA 1.454 57.867 56.400 0.021 0.000 0.799 202 E CB -0.163 29.543 29.700 0.010 0.000 0.755 202 E HN 0.396 nan 8.360 nan 0.000 0.447 203 I N 1.336 121.884 120.570 -0.037 0.000 2.423 203 I HA -0.277 3.893 4.170 0.000 0.000 0.254 203 I C 2.437 178.506 176.117 -0.080 0.000 1.151 203 I CA 0.763 62.008 61.300 -0.091 0.000 1.421 203 I CB -0.314 37.579 38.000 -0.178 0.000 1.079 203 I HN 0.108 nan 8.210 nan 0.000 0.431 204 A N 0.383 123.182 122.820 -0.035 0.000 1.855 204 A HA -0.186 4.134 4.320 0.000 0.000 0.213 204 A C 2.192 179.887 177.584 0.184 0.000 1.195 204 A CA 1.308 53.405 52.037 0.099 0.000 0.610 204 A CB -0.459 18.648 19.000 0.179 0.000 0.837 204 A HN 0.283 nan 8.150 nan 0.000 0.444 205 E N 0.195 120.499 120.200 0.173 0.000 2.204 205 E HA -0.160 4.190 4.350 0.000 0.000 0.195 205 E C 1.886 178.515 176.600 0.047 0.000 0.990 205 E CA 1.429 57.916 56.400 0.145 0.000 0.821 205 E CB -0.106 29.681 29.700 0.145 0.000 0.750 205 E HN 0.746 nan 8.360 nan 0.000 0.477 206 E N -0.959 119.248 120.200 0.012 0.000 2.016 206 E HA -0.111 4.239 4.350 0.000 0.000 0.190 206 E C 1.956 178.504 176.600 -0.085 0.000 0.985 206 E CA 1.533 57.913 56.400 -0.034 0.000 0.802 206 E CB -0.114 29.562 29.700 -0.040 0.000 0.762 206 E HN 0.176 nan 8.360 nan 0.000 0.448 207 T N 1.121 115.617 114.554 -0.097 0.000 2.897 207 T HA -0.149 4.201 4.350 0.000 0.000 0.271 207 T C 1.811 176.242 174.700 -0.449 0.000 1.084 207 T CA 0.959 62.943 62.100 -0.194 0.000 1.123 207 T CB -0.162 68.645 68.868 -0.102 0.000 0.865 207 T HN 0.221 nan 8.240 nan 0.000 0.496 208 A N 1.241 123.829 122.820 -0.386 0.000 2.015 208 A HA -0.028 4.292 4.320 0.000 0.000 0.219 208 A C 2.221 179.676 177.584 -0.214 0.000 1.163 208 A CA 1.238 53.035 52.037 -0.399 0.000 0.646 208 A CB -0.307 18.681 19.000 -0.020 0.000 0.806 208 A HN 0.240 nan 8.150 nan 0.000 0.448 209 K N 0.188 120.489 120.400 -0.165 0.000 2.211 209 K HA -0.106 4.214 4.320 0.000 0.000 0.204 209 K C 1.905 178.388 176.600 -0.194 0.000 1.047 209 K CA 1.613 57.820 56.287 -0.133 0.000 0.935 209 K CB -0.169 32.268 32.500 -0.105 0.000 0.728 209 K HN 0.593 nan 8.250 nan 0.000 0.452 210 K N -0.793 119.421 120.400 -0.309 0.000 2.296 210 K HA -0.045 4.275 4.320 0.000 0.000 0.200 210 K C -0.335 175.846 176.600 -0.698 0.000 1.048 210 K CA 0.775 56.753 56.287 -0.516 0.000 0.966 210 K CB 0.289 32.384 32.500 -0.675 0.000 0.754 210 K HN 0.094 nan 8.250 nan 0.000 0.466 211 Y N 0.779 120.936 120.300 -0.238 0.000 2.562 211 Y HA 0.255 4.805 4.550 0.000 0.000 0.363 211 Y C -1.930 173.931 175.900 -0.065 0.000 0.991 211 Y CA -2.182 55.835 58.100 -0.138 0.000 1.121 211 Y CB 1.291 39.664 38.460 -0.145 0.000 1.159 211 Y HN 0.084 nan 8.280 nan 0.000 0.651 212 P HA -0.167 nan 4.420 nan 0.000 0.219 212 P C 0.002 177.347 177.300 0.074 0.000 1.146 212 P CA 1.589 64.713 63.100 0.040 0.000 0.808 212 P CB 0.426 32.127 31.700 0.002 0.000 0.779 213 D N -0.275 120.184 120.400 0.099 0.000 2.234 213 D HA -0.025 4.615 4.640 0.000 0.000 0.205 213 D C 0.640 177.008 176.300 0.114 0.000 0.962 213 D CA 0.311 54.367 54.000 0.094 0.000 0.855 213 D CB -0.704 40.151 40.800 0.092 0.000 0.951 213 D HN 0.064 nan 8.370 nan 0.000 0.500 214 V N 1.515 121.534 119.914 0.176 0.000 2.488 214 V HA 0.021 4.141 4.120 0.000 0.000 0.277 214 V C 0.543 176.740 176.094 0.171 0.000 1.046 214 V CA -0.636 61.779 62.300 0.192 0.000 0.986 214 V CB 1.112 33.142 31.823 0.344 0.000 0.989 214 V HN 0.133 nan 8.190 nan 0.000 0.475 215 E N 4.689 124.945 120.200 0.094 0.000 1.941 215 E HA 0.204 4.554 4.350 0.000 0.000 0.275 215 E C -0.804 175.817 176.600 0.036 0.000 1.113 215 E CA -0.774 55.662 56.400 0.060 0.000 0.878 215 E CB 0.897 30.612 29.700 0.025 0.000 1.070 215 E HN 0.580 nan 8.360 nan 0.000 0.399 216 L N 4.568 125.831 121.223 0.067 0.000 2.319 216 L HA 0.270 4.610 4.340 0.000 0.000 0.280 216 L C -0.903 175.884 176.870 -0.138 0.000 1.099 216 L CA 0.191 55.025 54.840 -0.012 0.000 0.828 216 L CB 1.081 43.217 42.059 0.129 0.000 1.150 216 L HN 0.453 nan 8.230 nan 0.000 0.442 217 S N 3.525 119.093 115.700 -0.220 0.000 2.599 217 S HA 0.687 5.157 4.470 0.000 0.000 0.287 217 S C -0.863 173.536 174.600 -0.334 0.000 1.105 217 S CA -0.948 57.109 58.200 -0.238 0.000 0.899 217 S CB 1.565 64.720 63.200 -0.075 0.000 1.100 217 S HN 0.664 nan 8.310 nan 0.000 0.482 218 H N 0.860 119.972 119.070 0.069 0.000 2.621 218 H HA 0.638 5.194 4.556 0.000 0.000 0.360 218 H C -0.702 174.662 175.328 0.060 0.000 1.163 218 H CA -0.871 55.221 56.048 0.074 0.000 1.194 218 H CB 1.592 31.399 29.762 0.075 0.000 1.649 218 H HN 0.451 nan 8.280 nan 0.000 0.532 219 M N 2.365 122.073 119.600 0.180 0.000 2.421 219 M HA 0.237 4.717 4.480 0.000 0.000 0.287 219 M C -0.987 175.332 176.300 0.031 0.000 1.183 219 M CA -0.603 54.756 55.300 0.098 0.000 0.916 219 M CB 3.066 35.733 32.600 0.111 0.000 1.701 219 M HN 0.312 nan 8.290 nan 0.000 0.470 220 L N 2.117 123.331 121.223 -0.014 0.000 2.331 220 L HA 0.202 4.542 4.340 0.000 0.000 0.278 220 L C 1.579 178.348 176.870 -0.170 0.000 1.106 220 L CA -0.220 54.566 54.840 -0.090 0.000 0.824 220 L CB 1.500 43.515 42.059 -0.073 0.000 1.142 220 L HN 0.650 nan 8.230 nan 0.000 0.443 221 V N 3.407 123.118 119.914 -0.338 0.000 2.353 221 V HA -0.350 3.770 4.120 0.000 0.000 0.260 221 V C 2.034 177.950 176.094 -0.297 0.000 1.091 221 V CA 2.763 64.783 62.300 -0.467 0.000 1.088 221 V CB -0.366 30.786 31.823 -1.118 0.000 0.672 221 V HN 1.091 nan 8.190 nan 0.000 0.455 222 D N -1.776 118.483 120.400 -0.234 0.000 2.347 222 D HA -0.065 4.575 4.640 0.000 0.000 0.215 222 D C 1.848 178.102 176.300 -0.075 0.000 0.976 222 D CA 1.173 55.090 54.000 -0.140 0.000 0.884 222 D CB 0.017 40.749 40.800 -0.113 0.000 0.915 222 D HN 0.574 nan 8.370 nan 0.000 0.526 223 S N 0.119 115.784 115.700 -0.058 0.000 2.441 223 S HA -0.044 4.426 4.470 0.000 0.000 0.224 223 S C 2.047 176.664 174.600 0.029 0.000 1.043 223 S CA 0.657 58.852 58.200 -0.008 0.000 0.948 223 S CB -0.036 63.167 63.200 0.006 0.000 0.810 223 S HN 0.265 nan 8.310 nan 0.000 0.504 224 T N 3.130 117.693 114.554 0.015 0.000 2.684 224 T HA -0.095 4.255 4.350 0.000 0.000 0.267 224 T C 2.233 176.940 174.700 0.012 0.000 1.036 224 T CA 1.411 63.541 62.100 0.049 0.000 1.148 224 T CB -0.670 68.153 68.868 -0.075 0.000 0.863 224 T HN 0.470 nan 8.240 nan 0.000 0.436 225 A N 1.386 124.180 122.820 -0.043 0.000 1.927 225 A HA -0.211 4.109 4.320 0.000 0.000 0.220 225 A C 2.325 179.911 177.584 0.003 0.000 1.185 225 A CA 2.102 54.118 52.037 -0.036 0.000 0.639 225 A CB -0.752 18.216 19.000 -0.053 0.000 0.820 225 A HN 0.527 nan 8.150 nan 0.000 0.451 226 M N -1.563 118.047 119.600 0.015 0.000 2.193 226 M HA -0.113 4.367 4.480 0.000 0.000 0.265 226 M C 2.256 178.592 176.300 0.059 0.000 1.071 226 M CA 1.044 56.360 55.300 0.027 0.000 1.140 226 M CB -0.346 32.264 32.600 0.017 0.000 1.369 226 M HN 0.292 nan 8.290 nan 0.000 0.423 227 Q N 0.675 120.536 119.800 0.102 0.000 2.234 227 Q HA -0.054 4.286 4.340 0.000 0.000 0.206 227 Q C 1.974 178.123 176.000 0.249 0.000 0.980 227 Q CA 1.218 57.122 55.803 0.167 0.000 0.869 227 Q CB -0.472 28.424 28.738 0.262 0.000 0.912 227 Q HN 0.581 nan 8.270 nan 0.000 0.436 228 L N -0.332 121.012 121.223 0.201 0.000 2.465 228 L HA -0.081 4.259 4.340 0.000 0.000 0.224 228 L C 1.619 178.547 176.870 0.098 0.000 1.145 228 L CA 0.338 55.270 54.840 0.154 0.000 0.834 228 L CB -0.037 42.036 42.059 0.024 0.000 0.944 228 L HN 0.172 nan 8.230 nan 0.000 0.451 229 I N -1.324 119.290 120.570 0.075 0.000 3.718 229 I HA 0.081 4.251 4.170 0.000 0.000 0.297 229 I C 2.509 178.650 176.117 0.041 0.000 1.220 229 I CA 0.847 62.175 61.300 0.048 0.000 1.381 229 I CB -1.043 36.975 38.000 0.031 0.000 1.238 229 I HN 0.019 nan 8.210 nan 0.000 0.448 230 A N 1.029 123.874 122.820 0.042 0.000 1.854 230 A HA -0.083 4.237 4.320 0.000 0.000 0.214 230 A C 1.154 178.748 177.584 0.017 0.000 1.192 230 A CA 1.671 53.722 52.037 0.024 0.000 0.611 230 A CB -0.359 18.652 19.000 0.018 0.000 0.832 230 A HN 0.446 nan 8.150 nan 0.000 0.442 231 N N -1.273 117.439 118.700 0.021 0.000 2.722 231 N HA 0.219 4.959 4.740 0.000 0.000 0.242 231 N C -2.431 173.079 175.510 -0.000 0.000 1.398 231 N CA -1.308 51.736 53.050 -0.010 0.000 0.755 231 N CB 1.407 39.861 38.487 -0.055 0.000 1.268 231 N HN -0.016 nan 8.380 nan 0.000 0.522 232 P HA 0.062 nan 4.420 nan 0.000 0.225 232 P C 1.405 178.783 177.300 0.130 0.000 1.156 232 P CA 0.574 63.801 63.100 0.212 0.000 0.787 232 P CB 0.187 31.990 31.700 0.172 0.000 0.802 233 G N 1.819 110.630 108.800 0.019 0.000 2.475 233 G HA2 -0.305 3.655 3.960 0.000 0.000 0.220 233 G HA3 -0.305 3.655 3.960 0.000 0.000 0.220 233 G C 1.621 176.478 174.900 -0.072 0.000 1.125 233 G CA 1.130 46.222 45.100 -0.013 0.000 0.755 233 G HN 0.472 nan 8.290 nan 0.000 0.565 234 Q N -0.824 118.850 119.800 -0.209 0.000 2.234 234 Q HA -0.017 4.323 4.340 0.000 0.000 0.206 234 Q C 0.341 176.140 176.000 -0.336 0.000 0.980 234 Q CA 0.488 56.092 55.803 -0.332 0.000 0.869 234 Q CB -0.437 27.984 28.738 -0.529 0.000 0.912 234 Q HN 0.378 nan 8.270 nan 0.000 0.436 235 F N 1.347 121.285 119.950 -0.021 0.000 2.429 235 F HA 0.158 4.685 4.527 0.000 0.000 0.348 235 F C 0.951 176.736 175.800 -0.025 0.000 1.109 235 F CA -0.565 57.420 58.000 -0.025 0.000 1.232 235 F CB 0.963 39.949 39.000 -0.023 0.000 1.157 235 F HN 0.018 nan 8.300 nan 0.000 0.564 236 D N 0.925 121.432 120.400 0.179 0.000 3.154 236 D HA 0.146 4.786 4.640 0.000 0.000 0.278 236 D C -0.580 175.763 176.300 0.071 0.000 1.460 236 D CA 0.782 54.833 54.000 0.085 0.000 1.114 236 D CB 0.288 41.111 40.800 0.039 0.000 1.151 236 D HN 0.127 nan 8.370 nan 0.000 0.376 237 V N 1.287 121.227 119.914 0.043 0.000 2.769 237 V HA 0.518 4.638 4.120 0.000 0.000 0.312 237 V C -0.284 175.798 176.094 -0.020 0.000 1.061 237 V CA -0.737 61.556 62.300 -0.012 0.000 0.931 237 V CB 2.137 33.918 31.823 -0.069 0.000 1.010 237 V HN 0.175 nan 8.190 nan 0.000 0.433 238 I N 3.486 124.018 120.570 -0.063 0.000 2.619 238 I HA 0.612 4.782 4.170 0.000 0.000 0.292 238 I C -1.157 174.928 176.117 -0.052 0.000 1.100 238 I CA -0.869 60.378 61.300 -0.087 0.000 1.043 238 I CB 2.255 40.129 38.000 -0.211 0.000 1.239 238 I HN 0.379 nan 8.210 nan 0.000 0.420 239 V N 5.127 125.043 119.914 0.003 0.000 2.709 239 V HA 0.801 4.921 4.120 0.000 0.000 0.308 239 V C -0.807 175.408 176.094 0.201 0.000 1.062 239 V CA 0.166 62.526 62.300 0.099 0.000 0.901 239 V CB 2.282 34.162 31.823 0.094 0.000 1.003 239 V HN 0.905 nan 8.190 nan 0.000 0.425 240 T N 3.263 117.926 114.554 0.183 0.000 2.762 240 T HA 0.480 4.830 4.350 0.000 0.000 0.301 240 T C -0.748 173.843 174.700 -0.183 0.000 1.299 240 T CA 0.059 62.138 62.100 -0.034 0.000 1.005 240 T CB 1.769 70.620 68.868 -0.029 0.000 1.377 240 T HN 1.098 nan 8.240 nan 0.000 0.504 241 E N 1.450 121.290 120.200 -0.600 0.000 2.435 241 E HA 0.251 4.601 4.350 0.000 0.000 0.254 241 E C 1.060 177.572 176.600 -0.146 0.000 1.289 241 E CA -0.295 55.833 56.400 -0.453 0.000 0.983 241 E CB 0.287 29.601 29.700 -0.644 0.000 1.010 241 E HN 0.523 nan 8.360 nan 0.000 0.509 242 N N 0.144 118.830 118.700 -0.024 0.000 2.069 242 N HA -0.252 4.488 4.740 0.000 0.000 0.191 242 N C 1.511 176.837 175.510 -0.307 0.000 1.031 242 N CA 2.172 55.164 53.050 -0.095 0.000 0.852 242 N CB -0.205 38.237 38.487 -0.076 0.000 1.018 242 N HN 0.675 nan 8.380 nan 0.000 0.423 243 M N -0.765 118.524 119.600 -0.519 0.000 2.081 243 M HA 0.087 4.567 4.480 0.000 0.000 0.261 243 M C 1.369 177.571 176.300 -0.163 0.000 1.075 243 M CA 1.352 56.322 55.300 -0.550 0.000 1.133 243 M CB -0.642 31.590 32.600 -0.613 0.000 1.330 243 M HN 0.081 nan 8.290 nan 0.000 0.414 244 F N 0.239 120.090 119.950 -0.165 0.000 2.161 244 F HA 0.016 4.543 4.527 0.000 0.000 0.300 244 F C 2.474 178.213 175.800 -0.102 0.000 1.089 244 F CA 1.111 59.032 58.000 -0.132 0.000 1.282 244 F CB -2.085 36.809 39.000 -0.176 0.000 1.010 244 F HN 0.309 nan 8.300 nan 0.000 0.485 245 G N -0.456 108.390 108.800 0.077 0.000 2.421 245 G HA2 -0.289 3.671 3.960 0.000 0.000 0.216 245 G HA3 -0.289 3.671 3.960 0.000 0.000 0.216 245 G C 1.598 176.528 174.900 0.050 0.000 1.171 245 G CA 1.023 46.148 45.100 0.043 0.000 0.775 245 G HN 0.339 nan 8.290 nan 0.000 0.543 246 D N 1.049 121.488 120.400 0.065 0.000 2.103 246 D HA -0.160 4.480 4.640 0.000 0.000 0.190 246 D C 2.594 178.946 176.300 0.085 0.000 0.997 246 D CA 1.164 55.228 54.000 0.106 0.000 0.833 246 D CB -0.330 40.586 40.800 0.193 0.000 0.961 246 D HN 0.362 nan 8.370 nan 0.000 0.447 247 I N 0.489 121.112 120.570 0.088 0.000 2.127 247 I HA -0.281 3.889 4.170 0.000 0.000 0.241 247 I C 2.739 178.875 176.117 0.032 0.000 1.075 247 I CA 0.723 62.063 61.300 0.067 0.000 1.334 247 I CB -0.348 37.699 38.000 0.077 0.000 1.040 247 I HN 0.092 nan 8.210 nan 0.000 0.405 248 L N -0.024 121.209 121.223 0.017 0.000 2.131 248 L HA -0.174 4.166 4.340 0.000 0.000 0.210 248 L C 2.697 179.552 176.870 -0.026 0.000 1.092 248 L CA 0.998 55.821 54.840 -0.027 0.000 0.759 248 L CB -0.492 41.529 42.059 -0.062 0.000 0.903 248 L HN 0.215 nan 8.230 nan 0.000 0.435 249 S N -0.100 115.599 115.700 -0.001 0.000 2.343 249 S HA -0.194 4.276 4.470 0.000 0.000 0.219 249 S C 1.507 176.114 174.600 0.012 0.000 1.033 249 S CA 1.512 59.714 58.200 0.003 0.000 1.014 249 S CB -0.316 62.898 63.200 0.022 0.000 0.915 249 S HN 0.413 nan 8.310 nan 0.000 0.435 250 D N 1.241 121.656 120.400 0.024 0.000 2.228 250 D HA -0.061 4.579 4.640 0.000 0.000 0.203 250 D C 1.732 178.044 176.300 0.020 0.000 0.988 250 D CA 0.501 54.518 54.000 0.028 0.000 0.864 250 D CB -0.248 40.574 40.800 0.036 0.000 0.928 250 D HN 0.220 nan 8.370 nan 0.000 0.469 251 L N -0.055 121.174 121.223 0.010 0.000 2.109 251 L HA -0.048 4.292 4.340 0.000 0.000 0.207 251 L C 2.080 178.952 176.870 0.002 0.000 1.086 251 L CA 0.964 55.807 54.840 0.004 0.000 0.760 251 L CB -0.178 41.875 42.059 -0.010 0.000 0.910 251 L HN 0.012 nan 8.230 nan 0.000 0.437 252 A N -1.246 121.569 122.820 -0.008 0.000 2.067 252 A HA -0.133 4.187 4.320 0.000 0.000 0.219 252 A C 2.289 179.882 177.584 0.016 0.000 1.158 252 A CA 1.590 53.624 52.037 -0.005 0.000 0.661 252 A CB -0.326 18.659 19.000 -0.026 0.000 0.801 252 A HN 0.461 nan 8.150 nan 0.000 0.452 253 S N -0.384 115.329 115.700 0.022 0.000 2.453 253 S HA -0.074 4.396 4.470 0.000 0.000 0.231 253 S C 1.852 176.474 174.600 0.037 0.000 1.005 253 S CA 1.274 59.495 58.200 0.035 0.000 0.949 253 S CB -0.281 62.943 63.200 0.038 0.000 0.774 253 S HN 0.756 nan 8.310 nan 0.000 0.510 254 V N 1.082 121.014 119.914 0.030 0.000 2.788 254 V HA 0.019 4.139 4.120 0.000 0.000 0.251 254 V C 1.974 178.087 176.094 0.031 0.000 1.068 254 V CA 0.678 62.996 62.300 0.030 0.000 1.090 254 V CB -1.131 30.707 31.823 0.025 0.000 0.710 254 V HN 0.501 nan 8.190 nan 0.000 0.467 255 I N -0.216 120.372 120.570 0.030 0.000 2.756 255 I HA -0.049 4.121 4.170 0.000 0.000 0.262 255 I C 2.038 178.177 176.117 0.037 0.000 1.225 255 I CA 1.774 63.094 61.300 0.032 0.000 1.472 255 I CB -1.774 36.246 38.000 0.033 0.000 1.094 255 I HN 0.127 nan 8.210 nan 0.000 0.454 256 T N 0.113 114.693 114.554 0.043 0.000 2.976 256 T HA 0.311 4.661 4.350 0.000 0.000 0.257 256 T C 1.671 176.406 174.700 0.058 0.000 1.051 256 T CA 1.483 63.616 62.100 0.055 0.000 1.141 256 T CB -0.281 68.629 68.868 0.070 0.000 0.881 256 T HN 0.722 nan 8.240 nan 0.000 0.461 257 G N 0.762 109.593 108.800 0.050 0.000 2.358 257 G HA2 -0.223 3.737 3.960 0.000 0.000 0.224 257 G HA3 -0.223 3.737 3.960 0.000 0.000 0.224 257 G C 0.417 175.344 174.900 0.044 0.000 1.073 257 G CA 0.165 45.291 45.100 0.044 0.000 0.635 257 G HN 0.545 nan 8.290 nan 0.000 0.509 258 S N 1.214 116.949 115.700 0.059 0.000 2.520 258 S HA 0.672 5.142 4.470 0.000 0.000 0.324 258 S C -0.171 174.465 174.600 0.061 0.000 1.069 258 S CA -0.395 57.835 58.200 0.050 0.000 1.121 258 S CB 1.866 65.096 63.200 0.051 0.000 0.971 258 S HN 0.985 nan 8.310 nan 0.000 0.463 259 L N 2.940 124.191 121.223 0.047 0.000 2.416 259 L HA 0.827 5.167 4.340 0.000 0.000 0.262 259 L C 1.122 178.024 176.870 0.054 0.000 1.093 259 L CA 1.042 55.919 54.840 0.063 0.000 0.801 259 L CB 0.119 42.216 42.059 0.062 0.000 1.191 259 L HN 0.792 nan 8.230 nan 0.000 0.459 260 G N 2.769 111.638 108.800 0.115 0.000 2.189 260 G HA2 -0.384 3.576 3.960 0.000 0.000 0.267 260 G HA3 -0.384 3.576 3.960 0.000 0.000 0.267 260 G C 0.647 175.605 174.900 0.097 0.000 0.975 260 G CA 0.955 46.139 45.100 0.140 0.000 0.644 260 G HN 0.740 nan 8.290 nan 0.000 0.537 261 M N -0.000 119.648 119.600 0.081 0.000 2.492 261 M HA 0.506 4.986 4.480 0.000 0.000 0.255 261 M C 0.789 177.167 176.300 0.130 0.000 1.139 261 M CA 0.489 55.831 55.300 0.070 0.000 1.096 261 M CB 0.200 32.838 32.600 0.064 0.000 1.360 261 M HN 0.153 nan 8.290 nan 0.000 0.480 262 L N 3.227 124.529 121.223 0.132 0.000 2.264 262 L HA 0.460 4.800 4.340 0.000 0.000 0.289 262 L C -2.185 174.754 176.870 0.116 0.000 1.044 262 L CA -1.897 53.018 54.840 0.126 0.000 0.807 262 L CB 0.619 42.741 42.059 0.106 0.000 1.192 262 L HN 0.041 nan 8.230 nan 0.000 0.425 263 P HA 0.233 nan 4.420 nan 0.000 0.281 263 P C -1.011 176.345 177.300 0.093 0.000 1.264 263 P CA -0.557 62.603 63.100 0.100 0.000 0.824 263 P CB 2.135 33.898 31.700 0.105 0.000 1.092 264 S N -0.188 115.568 115.700 0.093 0.000 2.548 264 S HA 0.709 5.179 4.470 0.000 0.000 0.276 264 S C -1.464 173.178 174.600 0.071 0.000 1.129 264 S CA -0.586 57.654 58.200 0.067 0.000 0.931 264 S CB 0.635 63.846 63.200 0.020 0.000 1.068 264 S HN 0.645 nan 8.310 nan 0.000 0.480 265 A N 2.873 125.713 122.820 0.034 0.000 2.414 265 A HA 0.836 5.156 4.320 0.000 0.000 0.306 265 A C -0.740 176.713 177.584 -0.217 0.000 1.054 265 A CA -0.651 51.326 52.037 -0.100 0.000 0.724 265 A CB 1.843 20.950 19.000 0.178 0.000 1.267 265 A HN 0.725 nan 8.150 nan 0.000 0.418 266 S N 1.706 117.170 115.700 -0.393 0.000 2.659 266 S HA 0.658 5.128 4.470 0.000 0.000 0.312 266 S C -0.480 173.894 174.600 -0.376 0.000 1.114 266 S CA -0.397 57.619 58.200 -0.307 0.000 1.063 266 S CB 0.470 63.530 63.200 -0.234 0.000 0.996 266 S HN 0.576 nan 8.310 nan 0.000 0.478 267 L N 3.149 124.156 121.223 -0.360 0.000 2.271 267 L HA 0.777 5.117 4.340 0.000 0.000 0.265 267 L C 0.307 176.815 176.870 -0.602 0.000 1.013 267 L CA -1.262 53.345 54.840 -0.388 0.000 0.820 267 L CB 1.483 43.338 42.059 -0.340 0.000 1.352 267 L HN 0.630 nan 8.230 nan 0.000 0.443 268 R N -1.452 118.730 120.500 -0.529 0.000 3.041 268 R HA 0.529 4.869 4.340 0.000 0.000 0.254 268 R C 0.369 176.529 176.300 -0.234 0.000 1.244 268 R CA -0.560 55.084 56.100 -0.759 0.000 1.023 268 R CB 0.801 30.973 30.300 -0.213 0.000 1.332 268 R HN 0.404 nan 8.270 nan 0.000 0.463 269 S N 0.550 116.398 115.700 0.247 0.000 2.369 269 S HA -0.227 4.243 4.470 0.000 0.000 0.225 269 S C 0.622 175.294 174.600 0.120 0.000 1.043 269 S CA 2.197 60.564 58.200 0.278 0.000 1.074 269 S CB -0.714 62.642 63.200 0.260 0.000 0.962 269 S HN 0.761 nan 8.310 nan 0.000 0.433 270 D N 0.073 120.525 120.400 0.087 0.000 2.360 270 D HA 0.155 4.795 4.640 0.000 0.000 0.289 270 D C 0.698 177.023 176.300 0.042 0.000 1.183 270 D CA -0.404 53.634 54.000 0.063 0.000 1.082 270 D CB -0.048 40.790 40.800 0.064 0.000 1.146 270 D HN -0.016 nan 8.370 nan 0.000 0.545 271 R N -1.746 118.779 120.500 0.042 0.000 2.426 271 R HA 0.225 4.565 4.340 0.000 0.000 0.263 271 R C -0.325 175.972 176.300 -0.004 0.000 0.961 271 R CA -0.555 55.543 56.100 -0.003 0.000 1.086 271 R CB -0.389 29.886 30.300 -0.043 0.000 1.186 271 R HN 0.277 nan 8.270 nan 0.000 0.537 272 F N 0.269 120.169 119.950 -0.084 0.000 2.399 272 F HA 0.480 5.007 4.527 0.000 0.000 0.342 272 F C 0.498 176.244 175.800 -0.090 0.000 1.106 272 F CA 0.161 58.118 58.000 -0.073 0.000 1.196 272 F CB 0.990 39.962 39.000 -0.047 0.000 1.163 272 F HN -0.035 nan 8.300 nan 0.000 0.547 273 G N 5.208 113.511 108.800 -0.828 0.000 2.684 273 G HA2 0.506 4.466 3.960 0.000 0.000 0.290 273 G HA3 0.506 4.466 3.960 0.000 0.000 0.290 273 G C -2.114 172.249 174.900 -0.895 0.000 1.425 273 G CA -1.043 43.623 45.100 -0.723 0.000 0.822 273 G HN 0.781 nan 8.290 nan 0.000 0.482 274 M N 0.983 120.075 119.600 -0.848 0.000 2.197 274 M HA 0.648 5.128 4.480 0.000 0.000 0.301 274 M C -1.925 173.969 176.300 -0.677 0.000 0.987 274 M CA -0.781 54.194 55.300 -0.542 0.000 0.921 274 M CB 1.450 33.888 32.600 -0.270 0.000 1.569 274 M HN 0.511 nan 8.290 nan 0.000 0.431 275 Y N 3.081 123.334 120.300 -0.079 0.000 2.393 275 Y HA 0.676 5.226 4.550 0.000 0.000 0.341 275 Y C -0.141 175.741 175.900 -0.031 0.000 0.988 275 Y CA -0.701 57.377 58.100 -0.037 0.000 1.078 275 Y CB 1.352 39.801 38.460 -0.019 0.000 1.203 275 Y HN 0.618 nan 8.280 nan 0.000 0.453 276 E N 2.981 123.235 120.200 0.089 0.000 2.423 276 E HA 0.468 4.818 4.350 0.000 0.000 0.280 276 E C -3.477 173.122 176.600 -0.002 0.000 1.030 276 E CA -2.337 54.075 56.400 0.020 0.000 0.812 276 E CB 2.933 32.614 29.700 -0.033 0.000 1.313 276 E HN 0.228 nan 8.360 nan 0.000 0.456 277 P HA 0.066 nan 4.420 nan 0.000 0.276 277 P C 0.944 178.173 177.300 -0.119 0.000 1.252 277 P CA -0.453 62.604 63.100 -0.072 0.000 0.802 277 P CB 1.306 32.913 31.700 -0.155 0.000 1.035 278 V N -0.053 119.853 119.914 -0.015 0.000 2.667 278 V HA -0.130 3.990 4.120 0.000 0.000 0.252 278 V C 1.434 177.525 176.094 -0.005 0.000 1.065 278 V CA 1.422 63.724 62.300 0.003 0.000 1.083 278 V CB -2.090 29.768 31.823 0.059 0.000 0.692 278 V HN 0.724 nan 8.190 nan 0.000 0.468 279 H N 0.044 119.132 119.070 0.029 0.000 2.757 279 H HA 0.518 5.074 4.556 0.000 0.000 0.370 279 H C 0.702 176.043 175.328 0.023 0.000 1.172 279 H CA 0.116 56.179 56.048 0.025 0.000 1.426 279 H CB 0.277 30.053 29.762 0.024 0.000 1.438 279 H HN 0.131 nan 8.280 nan 0.000 0.612 280 G N -0.280 108.606 108.800 0.142 0.000 2.516 280 G HA2 0.183 4.143 3.960 0.000 0.000 0.276 280 G HA3 0.183 4.143 3.960 0.000 0.000 0.276 280 G C 0.783 175.771 174.900 0.147 0.000 1.390 280 G CA -0.327 44.822 45.100 0.082 0.000 1.050 280 G HN 0.873 nan 8.290 nan 0.000 0.519 281 S N -1.386 114.373 115.700 0.098 0.000 2.561 281 S HA 0.274 4.744 4.470 0.000 0.000 0.225 281 S C 1.679 176.354 174.600 0.125 0.000 0.977 281 S CA 1.070 59.336 58.200 0.109 0.000 0.926 281 S CB -0.270 62.980 63.200 0.085 0.000 0.769 281 S HN 2.075 nan 8.310 nan 0.000 0.533 282 A N 2.654 125.546 122.820 0.119 0.000 2.550 282 A HA -0.139 4.181 4.320 0.000 0.000 0.298 282 A C -0.157 177.471 177.584 0.072 0.000 1.485 282 A CA 0.840 52.928 52.037 0.085 0.000 0.780 282 A CB -1.910 17.130 19.000 0.068 0.000 1.045 282 A HN 0.622 nan 8.150 nan 0.000 0.423 283 P HA -0.252 nan 4.420 nan 0.000 0.218 283 P C 0.775 178.106 177.300 0.052 0.000 1.146 283 P CA 1.855 65.004 63.100 0.082 0.000 0.820 283 P CB -0.379 31.384 31.700 0.104 0.000 0.778 284 D N -1.639 118.786 120.400 0.041 0.000 2.378 284 D HA -0.084 4.556 4.640 0.000 0.000 0.227 284 D C 1.442 177.753 176.300 0.019 0.000 1.012 284 D CA 0.500 54.515 54.000 0.025 0.000 0.905 284 D CB -0.345 40.468 40.800 0.020 0.000 0.895 284 D HN 0.125 nan 8.370 nan 0.000 0.532 285 I N 0.096 120.681 120.570 0.024 0.000 4.240 285 I HA 0.282 4.452 4.170 0.000 0.000 0.331 285 I C 0.742 176.870 176.117 0.019 0.000 1.381 285 I CA -0.527 60.782 61.300 0.016 0.000 1.136 285 I CB -0.409 37.596 38.000 0.008 0.000 1.137 285 I HN 0.072 nan 8.210 nan 0.000 0.411 286 A N 0.842 123.681 122.820 0.032 0.000 2.584 286 A HA 0.318 4.638 4.320 0.000 0.000 0.239 286 A C 1.671 179.269 177.584 0.023 0.000 1.043 286 A CA 1.263 53.321 52.037 0.036 0.000 0.756 286 A CB -0.440 18.591 19.000 0.051 0.000 0.963 286 A HN 0.881 nan 8.150 nan 0.000 0.511 287 G N 1.437 110.249 108.800 0.020 0.000 2.284 287 G HA2 -0.368 3.592 3.960 0.000 0.000 0.261 287 G HA3 -0.368 3.592 3.960 0.000 0.000 0.261 287 G C 0.807 175.711 174.900 0.005 0.000 0.997 287 G CA 0.957 46.065 45.100 0.012 0.000 0.621 287 G HN 0.876 nan 8.290 nan 0.000 0.534 288 Q N 0.268 120.070 119.800 0.004 0.000 2.482 288 Q HA 0.362 4.702 4.340 0.000 0.000 0.209 288 Q C 1.755 177.752 176.000 -0.005 0.000 0.961 288 Q CA 0.496 56.299 55.803 -0.000 0.000 0.945 288 Q CB -0.049 28.689 28.738 -0.000 0.000 1.012 288 Q HN 1.571 nan 8.270 nan 0.000 0.515 289 G N 2.547 111.344 108.800 -0.005 0.000 2.371 289 G HA2 -0.311 3.649 3.960 0.000 0.000 0.299 289 G HA3 -0.311 3.649 3.960 0.000 0.000 0.299 289 G C 0.312 175.203 174.900 -0.014 0.000 1.014 289 G CA 1.063 46.156 45.100 -0.010 0.000 1.097 289 G HN 0.537 nan 8.290 nan 0.000 0.512 290 K N -1.676 118.714 120.400 -0.015 0.000 2.553 290 K HA 0.681 5.001 4.320 0.000 0.000 0.205 290 K C 0.920 177.500 176.600 -0.033 0.000 1.168 290 K CA 0.225 56.500 56.287 -0.021 0.000 1.043 290 K CB 0.661 33.151 32.500 -0.016 0.000 0.967 290 K HN 0.977 nan 8.250 nan 0.000 0.585 291 A N 1.863 124.663 122.820 -0.034 0.000 2.386 291 A HA 0.176 4.496 4.320 0.000 0.000 0.248 291 A C -0.361 177.182 177.584 -0.069 0.000 1.082 291 A CA -0.365 51.636 52.037 -0.060 0.000 0.789 291 A CB 0.188 19.166 19.000 -0.036 0.000 1.025 291 A HN 0.380 nan 8.150 nan 0.000 0.490 292 N N 1.741 120.371 118.700 -0.116 0.000 2.414 292 N HA 0.234 4.974 4.740 0.000 0.000 0.256 292 N C -1.858 173.618 175.510 -0.058 0.000 1.029 292 N CA -1.933 51.062 53.050 -0.092 0.000 0.948 292 N CB 1.397 39.816 38.487 -0.113 0.000 1.102 292 N HN 0.339 nan 8.380 nan 0.000 0.496 293 P HA 0.025 nan 4.420 nan 0.000 0.245 293 P C 1.376 178.687 177.300 0.019 0.000 1.206 293 P CA 0.303 63.408 63.100 0.009 0.000 0.781 293 P CB 0.568 32.263 31.700 -0.008 0.000 0.994 294 L N -0.482 120.740 121.223 -0.002 0.000 2.083 294 L HA -0.080 4.260 4.340 0.000 0.000 0.209 294 L C 2.750 179.645 176.870 0.042 0.000 1.083 294 L CA 1.974 56.813 54.840 -0.001 0.000 0.752 294 L CB -1.679 40.351 42.059 -0.048 0.000 0.899 294 L HN 0.074 nan 8.230 nan 0.000 0.433 295 G N -0.471 108.380 108.800 0.085 0.000 2.402 295 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 295 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 295 G C 1.594 176.562 174.900 0.113 0.000 1.162 295 G CA 1.169 46.349 45.100 0.134 0.000 0.777 295 G HN 0.290 nan 8.290 nan 0.000 0.539 296 T N 0.718 115.343 114.554 0.120 0.000 2.857 296 T HA -0.021 4.329 4.350 0.000 0.000 0.266 296 T C 2.525 177.252 174.700 0.045 0.000 1.048 296 T CA 0.880 63.026 62.100 0.076 0.000 1.139 296 T CB -0.091 68.825 68.868 0.080 0.000 0.874 296 T HN 0.047 nan 8.240 nan 0.000 0.455 297 V N 1.878 121.813 119.914 0.035 0.000 2.223 297 V HA -0.133 3.987 4.120 0.000 0.000 0.244 297 V C 2.521 178.621 176.094 0.009 0.000 1.045 297 V CA 1.611 63.918 62.300 0.011 0.000 1.000 297 V CB -0.736 31.088 31.823 0.002 0.000 0.635 297 V HN 0.429 nan 8.190 nan 0.000 0.445 298 L N 0.230 121.469 121.223 0.026 0.000 2.129 298 L HA -0.220 4.120 4.340 0.000 0.000 0.212 298 L C 2.701 179.582 176.870 0.018 0.000 1.087 298 L CA 1.838 56.696 54.840 0.029 0.000 0.757 298 L CB -0.771 41.329 42.059 0.068 0.000 0.896 298 L HN 0.444 nan 8.230 nan 0.000 0.434 299 S N -0.175 115.552 115.700 0.044 0.000 2.383 299 S HA -0.224 4.246 4.470 0.000 0.000 0.229 299 S C 2.108 176.711 174.600 0.005 0.000 1.030 299 S CA 1.325 59.569 58.200 0.074 0.000 1.002 299 S CB -0.062 63.195 63.200 0.096 0.000 0.829 299 S HN 0.462 nan 8.310 nan 0.000 0.467 300 A N 1.301 124.100 122.820 -0.036 0.000 1.898 300 A HA 0.288 4.608 4.320 0.000 0.000 0.216 300 A C 2.515 179.993 177.584 -0.176 0.000 1.181 300 A CA 1.702 53.675 52.037 -0.107 0.000 0.620 300 A CB -1.449 17.520 19.000 -0.051 0.000 0.819 300 A HN 0.797 nan 8.150 nan 0.000 0.442 301 A N -0.010 122.737 122.820 -0.122 0.000 1.917 301 A HA -0.122 4.198 4.320 0.000 0.000 0.219 301 A C 2.172 179.614 177.584 -0.238 0.000 1.182 301 A CA 1.614 53.567 52.037 -0.141 0.000 0.633 301 A CB -0.673 18.275 19.000 -0.087 0.000 0.819 301 A HN 0.493 nan 8.150 nan 0.000 0.448 302 L N -1.342 119.732 121.223 -0.248 0.000 1.989 302 L HA -0.256 4.084 4.340 0.000 0.000 0.211 302 L C 2.845 179.399 176.870 -0.527 0.000 1.071 302 L CA 1.990 56.590 54.840 -0.400 0.000 0.749 302 L CB -0.574 41.456 42.059 -0.047 0.000 0.890 302 L HN 0.602 nan 8.230 nan 0.000 0.431 303 M N -0.030 119.068 119.600 -0.836 0.000 2.089 303 M HA -0.298 4.182 4.480 0.000 0.000 0.257 303 M C 2.323 178.395 176.300 -0.380 0.000 1.071 303 M CA 2.017 56.542 55.300 -1.290 0.000 1.096 303 M CB -0.159 31.698 32.600 -1.239 0.000 1.330 303 M HN 0.216 nan 8.290 nan 0.000 0.403 304 L N -0.635 120.466 121.223 -0.204 0.000 2.017 304 L HA -0.249 4.091 4.340 0.000 0.000 0.208 304 L C 2.829 179.680 176.870 -0.030 0.000 1.073 304 L CA 1.638 56.473 54.840 -0.008 0.000 0.745 304 L CB -0.777 41.226 42.059 -0.094 0.000 0.894 304 L HN 0.420 nan 8.230 nan 0.000 0.432 305 R N -0.736 119.655 120.500 -0.181 0.000 2.062 305 R HA -0.185 4.155 4.340 0.000 0.000 0.231 305 R C 2.422 178.699 176.300 -0.038 0.000 1.136 305 R CA 1.794 57.788 56.100 -0.176 0.000 0.948 305 R CB -0.185 29.890 30.300 -0.375 0.000 0.845 305 R HN 0.239 nan 8.270 nan 0.000 0.430 306 Y N -0.557 119.743 120.300 0.000 0.000 2.269 306 Y HA 0.136 4.686 4.550 0.000 0.000 0.294 306 Y C 2.590 178.457 175.900 -0.055 0.000 1.120 306 Y CA 0.555 58.660 58.100 0.009 0.000 1.159 306 Y CB -0.530 37.977 38.460 0.077 0.000 1.024 306 Y HN 0.005 nan 8.280 nan 0.000 0.532 307 S N -0.929 114.768 115.700 -0.005 0.000 2.425 307 S HA 0.028 4.498 4.470 0.000 0.000 0.225 307 S C 0.986 175.202 174.600 -0.640 0.000 1.024 307 S CA 0.880 58.849 58.200 -0.385 0.000 0.951 307 S CB -0.196 62.582 63.200 -0.703 0.000 0.796 307 S HN 0.352 nan 8.310 nan 0.000 0.498 308 F N -0.126 119.833 119.950 0.015 0.000 2.746 308 F HA 0.365 4.892 4.527 0.000 0.000 0.320 308 F C 1.587 177.396 175.800 0.016 0.000 1.097 308 F CA -0.029 57.976 58.000 0.009 0.000 1.195 308 F CB 0.008 38.989 39.000 -0.031 0.000 1.056 308 F HN 0.183 nan 8.300 nan 0.000 0.562 309 G N 1.469 110.352 108.800 0.138 0.000 2.203 309 G HA2 -0.326 3.634 3.960 0.000 0.000 0.263 309 G HA3 -0.326 3.634 3.960 0.000 0.000 0.263 309 G C 0.507 175.460 174.900 0.089 0.000 1.012 309 G CA 0.262 45.424 45.100 0.103 0.000 0.749 309 G HN 0.397 nan 8.290 nan 0.000 0.512 310 L N 0.360 121.631 121.223 0.080 0.000 2.939 310 L HA 0.232 4.572 4.340 0.000 0.000 0.239 310 L C 2.041 178.906 176.870 -0.008 0.000 1.325 310 L CA 0.294 55.149 54.840 0.026 0.000 1.170 310 L CB 0.162 42.186 42.059 -0.057 0.000 1.538 310 L HN 0.411 nan 8.230 nan 0.000 0.452 311 E N 1.277 121.483 120.200 0.009 0.000 2.181 311 E HA -0.349 4.001 4.350 0.000 0.000 0.225 311 E C 1.905 178.496 176.600 -0.016 0.000 1.073 311 E CA 2.139 58.535 56.400 -0.006 0.000 0.916 311 E CB 0.105 29.816 29.700 0.017 0.000 0.793 311 E HN 0.190 nan 8.360 nan 0.000 0.472 312 K N 0.166 120.565 120.400 -0.002 0.000 2.074 312 K HA -0.174 4.146 4.320 0.000 0.000 0.209 312 K C 2.136 178.724 176.600 -0.020 0.000 1.048 312 K CA 1.992 58.278 56.287 -0.003 0.000 0.926 312 K CB -0.308 32.199 32.500 0.013 0.000 0.713 312 K HN 0.307 nan 8.250 nan 0.000 0.444 313 E N -0.634 119.541 120.200 -0.041 0.000 2.150 313 E HA -0.065 4.285 4.350 0.000 0.000 0.193 313 E C 1.822 178.380 176.600 -0.070 0.000 0.985 313 E CA 1.125 57.485 56.400 -0.068 0.000 0.814 313 E CB -0.183 29.437 29.700 -0.134 0.000 0.752 313 E HN 0.366 nan 8.360 nan 0.000 0.466 314 A N 1.228 124.002 122.820 -0.076 0.000 1.873 314 A HA -0.078 4.242 4.320 0.000 0.000 0.215 314 A C 2.399 179.947 177.584 -0.061 0.000 1.186 314 A CA 1.733 53.717 52.037 -0.089 0.000 0.616 314 A CB -0.924 18.002 19.000 -0.124 0.000 0.823 314 A HN 0.292 nan 8.150 nan 0.000 0.442 315 A N -0.119 122.675 122.820 -0.043 0.000 1.940 315 A HA 0.116 4.436 4.320 0.000 0.000 0.219 315 A C 2.483 180.061 177.584 -0.010 0.000 1.176 315 A CA 2.185 54.209 52.037 -0.021 0.000 0.631 315 A CB -0.989 18.005 19.000 -0.011 0.000 0.814 315 A HN 1.074 nan 8.150 nan 0.000 0.446 316 A N 0.028 122.840 122.820 -0.014 0.000 1.902 316 A HA -0.106 4.214 4.320 0.000 0.000 0.217 316 A C 2.117 179.698 177.584 -0.005 0.000 1.181 316 A CA 1.533 53.565 52.037 -0.007 0.000 0.623 316 A CB -0.621 18.371 19.000 -0.012 0.000 0.818 316 A HN 0.506 nan 8.150 nan 0.000 0.443 317 I N -0.040 120.521 120.570 -0.016 0.000 2.163 317 I HA -0.306 3.864 4.170 0.000 0.000 0.243 317 I C 2.438 178.560 176.117 0.008 0.000 1.085 317 I CA 1.859 63.152 61.300 -0.012 0.000 1.347 317 I CB -0.551 37.432 38.000 -0.028 0.000 1.044 317 I HN 0.467 nan 8.210 nan 0.000 0.408 318 E N 0.979 121.188 120.200 0.015 0.000 2.204 318 E HA -0.228 4.122 4.350 0.000 0.000 0.195 318 E C 2.048 178.688 176.600 0.067 0.000 0.990 318 E CA 0.980 57.411 56.400 0.051 0.000 0.821 318 E CB -0.126 29.601 29.700 0.045 0.000 0.750 318 E HN 0.558 nan 8.360 nan 0.000 0.477 319 K N 1.018 121.443 120.400 0.042 0.000 2.057 319 K HA -0.060 4.260 4.320 0.000 0.000 0.206 319 K C 2.351 178.977 176.600 0.043 0.000 1.050 319 K CA 1.038 57.352 56.287 0.045 0.000 0.935 319 K CB -0.192 32.325 32.500 0.028 0.000 0.715 319 K HN 0.042 nan 8.250 nan 0.000 0.439 320 A N 1.638 124.475 122.820 0.029 0.000 1.851 320 A HA -0.160 4.160 4.320 0.000 0.000 0.216 320 A C 2.486 180.082 177.584 0.019 0.000 1.195 320 A CA 1.828 53.878 52.037 0.021 0.000 0.622 320 A CB -1.034 17.971 19.000 0.009 0.000 0.831 320 A HN 0.070 nan 8.150 nan 0.000 0.444 321 V N 0.795 120.717 119.914 0.014 0.000 2.370 321 V HA -0.319 3.801 4.120 0.000 0.000 0.252 321 V C 2.375 178.450 176.094 -0.033 0.000 1.068 321 V CA 2.477 64.765 62.300 -0.019 0.000 1.061 321 V CB -0.815 30.997 31.823 -0.019 0.000 0.656 321 V HN 0.662 nan 8.190 nan 0.000 0.455 322 D N -0.327 120.101 120.400 0.046 0.000 2.103 322 D HA -0.165 4.475 4.640 0.000 0.000 0.199 322 D C 1.758 178.086 176.300 0.047 0.000 0.978 322 D CA 1.441 55.494 54.000 0.087 0.000 0.829 322 D CB 0.054 40.957 40.800 0.171 0.000 0.981 322 D HN 0.442 nan 8.370 nan 0.000 0.464 323 D N 0.183 120.608 120.400 0.043 0.000 2.123 323 D HA -0.128 4.512 4.640 0.000 0.000 0.196 323 D C 2.273 178.596 176.300 0.037 0.000 0.992 323 D CA 0.551 54.573 54.000 0.037 0.000 0.833 323 D CB -0.350 40.471 40.800 0.036 0.000 0.954 323 D HN 0.138 nan 8.370 nan 0.000 0.455 324 V N 0.852 120.791 119.914 0.041 0.000 2.307 324 V HA -0.190 3.930 4.120 0.000 0.000 0.245 324 V C 2.616 178.740 176.094 0.051 0.000 1.045 324 V CA 1.092 63.438 62.300 0.078 0.000 1.024 324 V CB -0.522 31.341 31.823 0.066 0.000 0.651 324 V HN 0.210 nan 8.190 nan 0.000 0.449 325 L N -0.342 120.876 121.223 -0.007 0.000 2.127 325 L HA -0.219 4.121 4.340 0.000 0.000 0.211 325 L C 2.751 179.605 176.870 -0.026 0.000 1.089 325 L CA 1.402 56.220 54.840 -0.038 0.000 0.757 325 L CB -0.543 41.449 42.059 -0.112 0.000 0.899 325 L HN 0.417 nan 8.230 nan 0.000 0.434 326 Q N -0.379 119.416 119.800 -0.009 0.000 2.224 326 Q HA -0.158 4.182 4.340 0.000 0.000 0.203 326 Q C 0.767 176.739 176.000 -0.047 0.000 0.970 326 Q CA 0.985 56.781 55.803 -0.011 0.000 0.865 326 Q CB -0.018 28.726 28.738 0.010 0.000 0.922 326 Q HN 0.536 nan 8.270 nan 0.000 0.445 327 D N -0.587 119.778 120.400 -0.059 0.000 2.325 327 D HA 0.102 4.742 4.640 0.000 0.000 0.234 327 D C 0.968 177.060 176.300 -0.346 0.000 1.122 327 D CA 0.560 54.467 54.000 -0.156 0.000 0.850 327 D CB 0.256 41.005 40.800 -0.085 0.000 0.921 327 D HN 0.369 nan 8.370 nan 0.000 0.513 328 G N 0.633 109.306 108.800 -0.211 0.000 2.196 328 G HA2 -0.335 3.625 3.960 0.000 0.000 0.268 328 G HA3 -0.335 3.625 3.960 0.000 0.000 0.268 328 G C -0.023 174.761 174.900 -0.193 0.000 0.975 328 G CA 0.005 44.976 45.100 -0.216 0.000 0.648 328 G HN 0.319 nan 8.290 nan 0.000 0.538 329 Y N 1.031 121.315 120.300 -0.026 0.000 2.436 329 Y HA 0.506 5.056 4.550 0.000 0.000 0.343 329 Y C 1.331 177.206 175.900 -0.040 0.000 1.008 329 Y CA -0.827 57.255 58.100 -0.029 0.000 1.241 329 Y CB 0.238 38.681 38.460 -0.027 0.000 1.153 329 Y HN 0.672 nan 8.280 nan 0.000 0.521 330 C N -0.801 118.574 119.300 0.125 0.000 3.318 330 C HA 0.588 5.048 4.460 0.000 0.000 0.329 330 C C 1.065 176.070 174.990 0.026 0.000 1.449 330 C CA -0.609 58.433 59.018 0.041 0.000 1.397 330 C CB 1.572 29.316 27.740 0.006 0.000 1.810 330 C HN 0.702 nan 8.230 nan 0.000 0.449 331 T N -0.187 114.364 114.554 -0.005 0.000 3.081 331 T HA 0.448 4.798 4.350 0.000 0.000 0.250 331 T C 1.561 176.253 174.700 -0.013 0.000 1.100 331 T CA 1.249 63.341 62.100 -0.014 0.000 1.038 331 T CB 0.060 68.907 68.868 -0.034 0.000 0.962 331 T HN 1.994 nan 8.240 nan 0.000 0.516 332 G N 2.578 111.372 108.800 -0.010 0.000 2.308 332 G HA2 -0.288 3.672 3.960 0.000 0.000 0.221 332 G HA3 -0.288 3.672 3.960 0.000 0.000 0.221 332 G C 0.784 175.675 174.900 -0.014 0.000 1.032 332 G CA 0.313 45.408 45.100 -0.009 0.000 0.623 332 G HN 0.597 nan 8.290 nan 0.000 0.506 333 D N 1.007 121.393 120.400 -0.023 0.000 2.347 333 D HA 0.122 4.763 4.640 0.000 0.000 0.215 333 D C 1.226 177.514 176.300 -0.020 0.000 0.976 333 D CA 0.331 54.316 54.000 -0.025 0.000 0.884 333 D CB 0.081 40.856 40.800 -0.041 0.000 0.915 333 D HN 0.516 nan 8.370 nan 0.000 0.526 334 L N 0.400 121.610 121.223 -0.021 0.000 2.322 334 L HA 0.321 4.661 4.340 0.000 0.000 0.279 334 L C 0.191 177.055 176.870 -0.011 0.000 1.036 334 L CA -0.992 53.837 54.840 -0.018 0.000 0.807 334 L CB 1.493 43.532 42.059 -0.033 0.000 1.226 334 L HN -0.295 nan 8.230 nan 0.000 0.433 335 Q N 2.170 121.968 119.800 -0.003 0.000 2.369 335 Q HA 0.322 4.662 4.340 0.000 0.000 0.247 335 Q C -0.481 175.517 176.000 -0.002 0.000 1.083 335 Q CA -0.223 55.581 55.803 0.000 0.000 0.905 335 Q CB 0.771 29.514 28.738 0.009 0.000 1.305 335 Q HN 0.482 nan 8.270 nan 0.000 0.465 336 V N 0.313 120.222 119.914 -0.008 0.000 3.369 336 V HA 0.874 4.994 4.120 0.000 0.000 0.301 336 V C 0.673 176.758 176.094 -0.015 0.000 1.184 336 V CA -0.211 62.080 62.300 -0.014 0.000 1.013 336 V CB 0.716 32.525 31.823 -0.023 0.000 1.230 336 V HN 0.689 nan 8.190 nan 0.000 0.464 337 A N 0.134 122.940 122.820 -0.024 0.000 2.773 337 A HA 0.161 4.481 4.320 0.000 0.000 0.185 337 A C 1.145 178.712 177.584 -0.028 0.000 1.559 337 A CA 0.790 52.812 52.037 -0.025 0.000 0.663 337 A CB -0.786 18.194 19.000 -0.033 0.000 1.098 337 A HN 0.878 nan 8.150 nan 0.000 0.495 338 N N 0.906 119.582 118.700 -0.040 0.000 2.575 338 N HA 0.199 4.939 4.740 0.000 0.000 0.275 338 N C 0.473 175.953 175.510 -0.049 0.000 1.202 338 N CA 0.532 53.559 53.050 -0.038 0.000 0.945 338 N CB -0.247 38.215 38.487 -0.041 0.000 1.247 338 N HN 0.612 nan 8.380 nan 0.000 0.510 339 G N 1.001 109.774 108.800 -0.044 0.000 2.752 339 G HA2 -0.185 3.775 3.960 0.000 0.000 0.226 339 G HA3 -0.185 3.775 3.960 0.000 0.000 0.226 339 G C -0.076 174.806 174.900 -0.029 0.000 1.185 339 G CA 0.127 45.201 45.100 -0.042 0.000 0.854 339 G HN 0.307 nan 8.290 nan 0.000 0.540 340 K N 1.582 121.975 120.400 -0.012 0.000 2.626 340 K HA 0.328 4.648 4.320 0.000 0.000 0.223 340 K C -0.400 176.276 176.600 0.127 0.000 0.992 340 K CA -0.735 55.584 56.287 0.054 0.000 1.024 340 K CB 2.031 34.563 32.500 0.053 0.000 1.225 340 K HN 0.279 nan 8.250 nan 0.000 0.498 341 V N 2.923 122.880 119.914 0.071 0.000 2.740 341 V HA 0.155 4.275 4.120 0.000 0.000 0.303 341 V C 0.461 176.588 176.094 0.055 0.000 1.054 341 V CA -0.274 62.060 62.300 0.056 0.000 1.106 341 V CB 0.930 32.768 31.823 0.025 0.000 0.957 341 V HN 0.535 nan 8.190 nan 0.000 0.486 342 V N 1.289 121.222 119.914 0.032 0.000 3.188 342 V HA 0.784 4.904 4.120 0.000 0.000 0.305 342 V C -0.058 176.024 176.094 -0.019 0.000 1.232 342 V CA -0.484 61.815 62.300 -0.002 0.000 1.043 342 V CB 1.782 33.581 31.823 -0.039 0.000 1.068 342 V HN 0.944 nan 8.190 nan 0.000 0.439 343 S N 0.692 116.374 115.700 -0.029 0.000 2.580 343 S HA 0.089 4.559 4.470 0.000 0.000 0.261 343 S C 1.059 175.638 174.600 -0.035 0.000 1.366 343 S CA 0.656 58.839 58.200 -0.028 0.000 0.996 343 S CB 0.455 63.638 63.200 -0.029 0.000 0.902 343 S HN 1.151 nan 8.310 nan 0.000 0.566 344 T N 1.149 115.685 114.554 -0.030 0.000 2.977 344 T HA 0.010 4.360 4.350 0.000 0.000 0.271 344 T C 1.433 176.111 174.700 -0.037 0.000 1.105 344 T CA 1.255 63.337 62.100 -0.031 0.000 1.116 344 T CB -0.573 68.280 68.868 -0.024 0.000 0.878 344 T HN 0.581 nan 8.240 nan 0.000 0.509 345 I N 0.102 120.648 120.570 -0.041 0.000 2.731 345 I HA 0.068 4.238 4.170 0.000 0.000 0.260 345 I C 2.595 178.675 176.117 -0.063 0.000 1.138 345 I CA 0.521 61.794 61.300 -0.046 0.000 1.461 345 I CB -0.147 37.829 38.000 -0.040 0.000 1.128 345 I HN 0.073 nan 8.210 nan 0.000 0.438 346 E N 2.002 122.158 120.200 -0.074 0.000 2.051 346 E HA -0.200 4.150 4.350 0.000 0.000 0.192 346 E C 2.208 178.726 176.600 -0.135 0.000 0.991 346 E CA 1.485 57.818 56.400 -0.112 0.000 0.799 346 E CB -0.334 29.292 29.700 -0.123 0.000 0.748 346 E HN 0.341 nan 8.360 nan 0.000 0.449 347 L N 0.117 121.278 121.223 -0.105 0.000 1.990 347 L HA -0.259 4.081 4.340 0.000 0.000 0.213 347 L C 2.276 179.100 176.870 -0.077 0.000 1.072 347 L CA 2.135 56.922 54.840 -0.089 0.000 0.755 347 L CB -0.748 41.280 42.059 -0.051 0.000 0.889 347 L HN 0.300 nan 8.230 nan 0.000 0.432 348 T N -1.026 113.490 114.554 -0.062 0.000 2.699 348 T HA -0.224 4.126 4.350 0.000 0.000 0.268 348 T C 1.405 176.070 174.700 -0.058 0.000 1.036 348 T CA 1.636 63.705 62.100 -0.052 0.000 1.147 348 T CB -0.386 68.454 68.868 -0.046 0.000 0.862 348 T HN 0.366 nan 8.240 nan 0.000 0.446 349 D N 0.740 121.097 120.400 -0.072 0.000 2.117 349 D HA -0.060 4.580 4.640 0.000 0.000 0.197 349 D C 2.455 178.705 176.300 -0.083 0.000 0.987 349 D CA 0.783 54.738 54.000 -0.075 0.000 0.829 349 D CB -0.163 40.585 40.800 -0.086 0.000 0.961 349 D HN 0.204 nan 8.370 nan 0.000 0.460 350 R N 0.358 120.788 120.500 -0.116 0.000 2.092 350 R HA -0.002 4.338 4.340 0.000 0.000 0.231 350 R C 2.597 178.870 176.300 -0.045 0.000 1.119 350 R CA 0.236 56.270 56.100 -0.111 0.000 0.970 350 R CB -0.939 29.252 30.300 -0.181 0.000 0.864 350 R HN 0.306 nan 8.270 nan 0.000 0.440 351 L N 0.471 121.669 121.223 -0.040 0.000 1.976 351 L HA -0.148 4.192 4.340 0.000 0.000 0.209 351 L C 2.496 179.355 176.870 -0.019 0.000 1.071 351 L CA 1.338 56.165 54.840 -0.021 0.000 0.746 351 L CB -0.470 41.575 42.059 -0.024 0.000 0.890 351 L HN 0.089 nan 8.230 nan 0.000 0.432 352 I N -0.294 120.260 120.570 -0.026 0.000 2.315 352 I HA -0.337 3.833 4.170 0.000 0.000 0.251 352 I C 2.571 178.679 176.117 -0.016 0.000 1.125 352 I CA 1.407 62.695 61.300 -0.021 0.000 1.392 352 I CB -0.427 37.557 38.000 -0.026 0.000 1.065 352 I HN 0.456 nan 8.210 nan 0.000 0.424 353 E N 1.425 121.613 120.200 -0.020 0.000 2.051 353 E HA -0.245 4.105 4.350 0.000 0.000 0.192 353 E C 2.129 178.727 176.600 -0.002 0.000 0.991 353 E CA 1.136 57.528 56.400 -0.014 0.000 0.799 353 E CB 0.143 29.831 29.700 -0.021 0.000 0.748 353 E HN 0.230 nan 8.360 nan 0.000 0.449 354 K N 0.376 120.777 120.400 0.002 0.000 2.147 354 K HA -0.119 4.201 4.320 0.000 0.000 0.205 354 K C 1.830 178.434 176.600 0.006 0.000 1.049 354 K CA 0.447 56.740 56.287 0.010 0.000 0.936 354 K CB -0.296 32.214 32.500 0.016 0.000 0.722 354 K HN 0.201 nan 8.250 nan 0.000 0.446 355 L N 1.471 122.695 121.223 0.000 0.000 2.749 355 L HA -0.040 4.300 4.340 0.000 0.000 0.245 355 L C 0.180 177.050 176.870 0.001 0.000 1.156 355 L CA 0.786 55.625 54.840 -0.001 0.000 0.890 355 L CB -0.768 41.288 42.059 -0.006 0.000 1.036 355 L HN 0.128 nan 8.230 nan 0.000 0.441 356 N N 0.000 118.702 118.700 0.003 0.000 1.763 356 N HA 0.000 4.740 4.740 0.000 0.000 0.220 356 N CA 0.000 53.052 53.050 0.003 0.000 0.885 356 N CB 0.000 38.488 38.487 0.001 0.000 1.341 356 N HN 0.000 nan 8.380 nan 0.000 0.667