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 1ze1_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKHGILVAYK PKGPTSHDVV DEVRKKLKTR KVGHGGTLDP FACGVLIIGV DATA SEQUENCE NQGTRILEFY KDLKKVYWVK MRLGLITETF DITGEVVEER EcNVTEEEIR DATA SEQUENCE EAIFSFVGEY DQVPPAYSAK KYKGERLYKL AREGKIINLP PKRVKIFKIW DATA SEQUENCE DVNIEGRDVS FRVEVSPGTY IRSLCMDIGY KLGcGATAVE LVRESVGPHT DATA SEQUENCE IEESLNVFEA APEEIENRII PLEKCLEWLP RVVVHQESTK MILNGSQIHL DATA SEQUENCE EMLKEWDGFK KGEVVRVFNE EGRLLALAEA ERNSSFLETL RKHERQRRVL DATA SEQUENCE TLRKVFQT 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 0.000 176.155 176.300 -0.241 0.000 1.140 1 M CA 0.000 55.215 55.300 -0.143 0.000 0.988 1 M CB 0.000 32.522 32.600 -0.130 0.000 1.302 2 K N 3.804 124.043 120.400 -0.269 0.000 2.144 2 K HA 0.527 4.935 4.320 0.146 0.000 0.270 2 K C -0.964 175.365 176.600 -0.453 0.000 1.005 2 K CA -0.360 55.789 56.287 -0.231 0.000 0.932 2 K CB 0.791 33.212 32.500 -0.131 0.000 1.021 2 K HN 0.705 nan 8.250 nan 0.000 0.462 3 H N -0.253 118.776 119.070 -0.068 0.000 2.667 3 H HA 0.566 5.208 4.556 0.143 0.000 0.353 3 H C 0.262 175.522 175.328 -0.113 0.000 1.072 3 H CA -0.606 55.390 56.048 -0.086 0.000 1.214 3 H CB 2.084 31.785 29.762 -0.101 0.000 1.600 3 H HN 0.873 nan 8.280 nan 0.000 0.527 4 G N 1.569 110.355 108.800 -0.024 0.000 2.336 4 G HA2 0.291 4.338 3.960 0.146 0.000 0.286 4 G HA3 0.291 4.338 3.960 0.146 0.000 0.286 4 G C -1.970 172.859 174.900 -0.119 0.000 1.269 4 G CA -0.718 44.337 45.100 -0.075 0.000 0.873 4 G HN 0.326 nan 8.290 nan 0.000 0.494 5 I N 0.742 121.218 120.570 -0.157 0.000 2.530 5 I HA 0.636 4.893 4.170 0.146 0.000 0.297 5 I C -0.520 175.467 176.117 -0.216 0.000 1.011 5 I CA -0.900 60.244 61.300 -0.259 0.000 1.107 5 I CB 1.912 39.646 38.000 -0.444 0.000 1.285 5 I HN 0.460 nan 8.210 nan 0.000 0.436 6 L N 7.427 128.522 121.223 -0.214 0.000 2.356 6 L HA 0.547 4.975 4.340 0.146 0.000 0.277 6 L C -1.096 175.671 176.870 -0.171 0.000 0.996 6 L CA -0.750 53.994 54.840 -0.161 0.000 0.822 6 L CB 1.911 43.897 42.059 -0.123 0.000 1.256 6 L HN 0.247 nan 8.230 nan 0.000 0.413 7 V N 5.765 125.592 119.914 -0.144 0.000 2.322 7 V HA 0.419 4.627 4.120 0.146 0.000 0.258 7 V C 0.861 176.934 176.094 -0.035 0.000 1.074 7 V CA -0.364 61.874 62.300 -0.104 0.000 0.909 7 V CB 0.553 32.334 31.823 -0.069 0.000 1.090 7 V HN 0.870 nan 8.190 nan 0.000 0.486 8 A N 4.708 127.508 122.820 -0.034 0.000 2.282 8 A HA 0.736 5.143 4.320 0.146 0.000 0.319 8 A C -1.020 176.604 177.584 0.067 0.000 1.121 8 A CA -0.513 51.522 52.037 -0.003 0.000 0.836 8 A CB 0.803 19.765 19.000 -0.064 0.000 1.146 8 A HN 0.763 nan 8.150 nan 0.000 0.494 9 Y N 1.257 121.549 120.300 -0.013 0.000 2.328 9 Y HA 0.488 5.123 4.550 0.142 0.000 0.337 9 Y C 0.076 176.017 175.900 0.068 0.000 0.966 9 Y CA -0.527 57.586 58.100 0.022 0.000 1.136 9 Y CB 1.125 39.602 38.460 0.028 0.000 1.170 9 Y HN 0.635 nan 8.280 nan 0.000 0.470 10 K N 8.901 128.943 120.400 -0.597 0.000 2.253 10 K HA 0.439 4.846 4.320 0.146 0.000 0.277 10 K C -2.836 173.355 176.600 -0.682 0.000 1.053 10 K CA -2.020 54.040 56.287 -0.379 0.000 0.892 10 K CB 0.958 33.341 32.500 -0.194 0.000 1.102 10 K HN 0.433 nan 8.250 nan 0.000 0.469 11 P HA 0.005 nan 4.420 nan 0.000 0.274 11 P C -1.103 176.120 177.300 -0.127 0.000 1.237 11 P CA -0.448 62.573 63.100 -0.132 0.000 0.793 11 P CB 0.526 32.248 31.700 0.037 0.000 0.977 12 K N 1.679 122.047 120.400 -0.054 0.000 2.412 12 K HA 0.281 4.688 4.320 0.146 0.000 0.281 12 K C 0.978 177.556 176.600 -0.037 0.000 1.027 12 K CA 1.133 57.395 56.287 -0.043 0.000 0.989 12 K CB -0.395 32.109 32.500 0.008 0.000 0.935 12 K HN 0.786 nan 8.250 nan 0.000 0.475 13 G N 5.241 114.025 108.800 -0.026 0.000 2.793 13 G HA2 -0.171 3.876 3.960 0.146 0.000 0.197 13 G HA3 -0.171 3.876 3.960 0.146 0.000 0.197 13 G C -2.392 172.486 174.900 -0.037 0.000 2.112 13 G CA -0.252 44.831 45.100 -0.029 0.000 1.556 13 G HN 0.637 nan 8.290 nan 0.000 0.534 14 P HA 0.389 nan 4.420 nan 0.000 0.272 14 P C 0.327 177.636 177.300 0.014 0.000 1.230 14 P CA 1.037 64.108 63.100 -0.049 0.000 0.788 14 P CB 0.849 32.468 31.700 -0.134 0.000 0.949 15 T N -2.287 112.296 114.554 0.049 0.000 2.824 15 T HA 0.189 4.626 4.350 0.146 0.000 0.277 15 T C 1.410 176.152 174.700 0.070 0.000 0.975 15 T CA -0.445 61.688 62.100 0.056 0.000 0.966 15 T CB 0.005 68.908 68.868 0.058 0.000 1.054 15 T HN 0.249 nan 8.240 nan 0.000 0.533 16 S N -0.122 115.599 115.700 0.035 0.000 2.383 16 S HA -0.086 4.471 4.470 0.146 0.000 0.227 16 S C 1.821 176.379 174.600 -0.069 0.000 1.026 16 S CA 1.010 59.173 58.200 -0.062 0.000 0.981 16 S CB -0.678 62.400 63.200 -0.204 0.000 0.818 16 S HN 0.807 nan 8.310 nan 0.000 0.472 17 H N 1.597 120.605 119.070 -0.103 0.000 2.421 17 H HA -0.006 4.637 4.556 0.146 0.000 0.298 17 H C 1.745 177.089 175.328 0.027 0.000 1.087 17 H CA 1.333 57.367 56.048 -0.025 0.000 1.330 17 H CB -0.307 29.463 29.762 0.013 0.000 1.388 17 H HN 0.258 nan 8.280 nan 0.000 0.526 18 D N -0.426 120.076 120.400 0.169 0.000 2.144 18 D HA -0.118 4.609 4.640 0.146 0.000 0.199 18 D C 2.251 178.659 176.300 0.180 0.000 0.984 18 D CA 0.780 54.897 54.000 0.195 0.000 0.834 18 D CB -0.276 40.664 40.800 0.232 0.000 0.955 18 D HN 0.186 nan 8.370 nan 0.000 0.465 19 V N 0.478 120.456 119.914 0.107 0.000 2.358 19 V HA -0.179 4.029 4.120 0.146 0.000 0.246 19 V C 2.622 178.631 176.094 -0.143 0.000 1.047 19 V CA 0.936 63.170 62.300 -0.110 0.000 1.035 19 V CB -0.410 31.356 31.823 -0.096 0.000 0.658 19 V HN 0.061 nan 8.190 nan 0.000 0.452 20 V N 0.125 119.991 119.914 -0.080 0.000 2.407 20 V HA -0.244 3.963 4.120 0.146 0.000 0.248 20 V C 2.273 178.337 176.094 -0.050 0.000 1.055 20 V CA 2.079 64.338 62.300 -0.068 0.000 1.049 20 V CB -0.659 31.133 31.823 -0.052 0.000 0.662 20 V HN 0.565 nan 8.190 nan 0.000 0.455 21 D N -0.423 119.970 120.400 -0.011 0.000 2.144 21 D HA -0.163 4.564 4.640 0.146 0.000 0.200 21 D C 2.193 178.486 176.300 -0.012 0.000 0.978 21 D CA 1.325 55.332 54.000 0.012 0.000 0.833 21 D CB 0.041 40.878 40.800 0.061 0.000 0.961 21 D HN 0.494 nan 8.370 nan 0.000 0.470 22 E N 0.671 120.841 120.200 -0.051 0.000 2.047 22 E HA -0.111 4.327 4.350 0.146 0.000 0.191 22 E C 2.096 178.619 176.600 -0.127 0.000 0.987 22 E CA 0.701 57.040 56.400 -0.102 0.000 0.799 22 E CB -0.182 29.327 29.700 -0.318 0.000 0.752 22 E HN -0.009 nan 8.360 nan 0.000 0.449 23 V N 0.896 120.715 119.914 -0.159 0.000 2.343 23 V HA -0.235 3.973 4.120 0.146 0.000 0.247 23 V C 2.618 178.662 176.094 -0.082 0.000 1.051 23 V CA 2.178 64.401 62.300 -0.128 0.000 1.036 23 V CB -0.617 31.128 31.823 -0.129 0.000 0.654 23 V HN 0.280 nan 8.190 nan 0.000 0.451 24 R N 0.327 120.788 120.500 -0.065 0.000 2.096 24 R HA -0.213 4.214 4.340 0.146 0.000 0.235 24 R C 2.429 178.709 176.300 -0.033 0.000 1.127 24 R CA 1.969 58.043 56.100 -0.043 0.000 0.968 24 R CB -0.235 30.048 30.300 -0.028 0.000 0.861 24 R HN 0.509 nan 8.270 nan 0.000 0.440 25 K N 0.562 120.945 120.400 -0.028 0.000 2.025 25 K HA -0.145 4.263 4.320 0.146 0.000 0.207 25 K C 1.683 178.270 176.600 -0.021 0.000 1.049 25 K CA 1.565 57.843 56.287 -0.015 0.000 0.933 25 K CB 0.108 32.607 32.500 -0.002 0.000 0.714 25 K HN 0.134 nan 8.250 nan 0.000 0.438 26 K N 0.313 120.693 120.400 -0.033 0.000 2.167 26 K HA 0.000 4.408 4.320 0.146 0.000 0.203 26 K C 2.077 178.655 176.600 -0.037 0.000 1.052 26 K CA 0.725 56.992 56.287 -0.033 0.000 0.956 26 K CB 0.077 32.553 32.500 -0.041 0.000 0.735 26 K HN 0.159 nan 8.250 nan 0.000 0.451 27 L N 0.681 121.876 121.223 -0.046 0.000 2.313 27 L HA -0.024 4.404 4.340 0.146 0.000 0.214 27 L C 0.197 177.041 176.870 -0.043 0.000 1.119 27 L CA 0.344 55.154 54.840 -0.050 0.000 0.809 27 L CB -0.127 41.895 42.059 -0.063 0.000 0.933 27 L HN 0.053 nan 8.230 nan 0.000 0.449 28 K N 0.462 120.841 120.400 -0.035 0.000 3.016 28 K HA -0.168 4.239 4.320 0.146 0.000 0.262 28 K C 0.343 176.923 176.600 -0.034 0.000 1.043 28 K CA 0.967 57.237 56.287 -0.028 0.000 0.761 28 K CB -2.079 30.407 32.500 -0.023 0.000 1.230 28 K HN 0.401 nan 8.250 nan 0.000 0.485 29 T N -1.293 113.235 114.554 -0.043 0.000 2.973 29 T HA 0.312 4.750 4.350 0.146 0.000 0.308 29 T C 1.486 176.164 174.700 -0.038 0.000 1.177 29 T CA -0.110 61.959 62.100 -0.051 0.000 0.938 29 T CB 0.746 69.570 68.868 -0.073 0.000 1.791 29 T HN 0.477 nan 8.240 nan 0.000 0.581 30 R N -0.456 120.020 120.500 -0.039 0.000 2.307 30 R HA 0.452 4.879 4.340 0.146 0.000 0.200 30 R C 0.125 176.415 176.300 -0.017 0.000 0.893 30 R CA -0.052 56.035 56.100 -0.021 0.000 1.042 30 R CB 0.261 30.555 30.300 -0.011 0.000 1.059 30 R HN 0.288 nan 8.270 nan 0.000 0.530 31 K N 0.617 121.002 120.400 -0.026 0.000 2.550 31 K HA 0.435 4.843 4.320 0.146 0.000 0.252 31 K C -1.964 174.616 176.600 -0.034 0.000 0.943 31 K CA -0.643 55.632 56.287 -0.020 0.000 0.806 31 K CB 2.632 35.131 32.500 -0.002 0.000 1.289 31 K HN 0.011 nan 8.250 nan 0.000 0.435 32 V N 2.184 122.076 119.914 -0.036 0.000 2.808 32 V HA 0.917 5.125 4.120 0.146 0.000 0.308 32 V C -0.084 175.979 176.094 -0.051 0.000 1.099 32 V CA -0.400 61.872 62.300 -0.047 0.000 0.920 32 V CB 1.952 33.746 31.823 -0.049 0.000 1.014 32 V HN 0.890 nan 8.190 nan 0.000 0.425 33 G N 1.622 110.385 108.800 -0.061 0.000 2.727 33 G HA2 0.814 4.861 3.960 0.146 0.000 0.289 33 G HA3 0.814 4.861 3.960 0.146 0.000 0.289 33 G C -1.597 173.267 174.900 -0.060 0.000 1.418 33 G CA -0.519 44.522 45.100 -0.098 0.000 0.818 33 G HN 1.163 nan 8.290 nan 0.000 0.486 34 H N -2.644 116.377 119.070 -0.081 0.000 2.949 34 H HA 0.820 5.455 4.556 0.133 0.000 0.356 34 H C -0.267 175.049 175.328 -0.020 0.000 1.212 34 H CA -1.028 54.978 56.048 -0.070 0.000 1.136 34 H CB 2.022 31.726 29.762 -0.096 0.000 1.869 34 H HN 1.007 nan 8.280 nan 0.000 0.556 35 G N -0.716 108.205 108.800 0.201 0.000 2.618 35 G HA2 0.543 4.591 3.960 0.146 0.000 0.280 35 G HA3 0.543 4.591 3.960 0.146 0.000 0.280 35 G C -0.325 174.696 174.900 0.202 0.000 1.458 35 G CA -0.334 44.868 45.100 0.170 0.000 1.224 35 G HN 1.511 nan 8.290 nan 0.000 0.576 36 G N 1.712 110.639 108.800 0.213 0.000 2.858 36 G HA2 0.106 4.153 3.960 0.146 0.000 0.266 36 G HA3 0.106 4.153 3.960 0.146 0.000 0.266 36 G C 0.191 175.169 174.900 0.130 0.000 1.023 36 G CA -0.215 44.978 45.100 0.155 0.000 1.172 36 G HN 1.012 nan 8.290 nan 0.000 0.523 37 T N 1.910 116.534 114.554 0.117 0.000 2.795 37 T HA 0.487 4.925 4.350 0.146 0.000 0.314 37 T C 0.853 175.582 174.700 0.049 0.000 1.069 37 T CA 0.110 62.236 62.100 0.043 0.000 1.071 37 T CB 1.096 69.998 68.868 0.057 0.000 0.988 37 T HN 0.556 nan 8.240 nan 0.000 0.543 38 L N 1.773 123.006 121.223 0.016 0.000 2.409 38 L HA 0.336 4.763 4.340 0.146 0.000 0.272 38 L C -0.537 176.339 176.870 0.010 0.000 0.980 38 L CA -1.060 53.793 54.840 0.021 0.000 0.826 38 L CB 2.049 44.097 42.059 -0.018 0.000 1.268 38 L HN 0.612 nan 8.230 nan 0.000 0.407 39 D N 4.669 125.086 120.400 0.028 0.000 2.419 39 D HA 0.039 4.766 4.640 0.146 0.000 0.236 39 D C -1.527 174.791 176.300 0.029 0.000 1.165 39 D CA -1.155 52.893 54.000 0.080 0.000 0.882 39 D CB 0.834 41.770 40.800 0.228 0.000 1.201 39 D HN 0.270 nan 8.370 nan 0.000 0.443 40 P HA -0.134 nan 4.420 nan 0.000 0.216 40 P C 1.232 178.577 177.300 0.076 0.000 1.150 40 P CA 1.020 64.162 63.100 0.070 0.000 0.843 40 P CB -0.035 31.720 31.700 0.091 0.000 0.787 41 F N -1.537 118.418 119.950 0.008 0.000 2.661 41 F HA 0.375 4.994 4.527 0.154 0.000 0.298 41 F C 0.775 176.589 175.800 0.023 0.000 1.137 41 F CA -0.376 57.631 58.000 0.012 0.000 1.454 41 F CB -0.618 38.390 39.000 0.012 0.000 1.103 41 F HN -0.200 nan 8.300 nan 0.000 0.577 42 A N 0.355 122.706 122.820 -0.782 0.000 2.256 42 A HA 0.690 5.097 4.320 0.146 0.000 0.318 42 A C -0.325 177.089 177.584 -0.282 0.000 1.103 42 A CA -0.074 51.570 52.037 -0.654 0.000 0.860 42 A CB 0.407 19.030 19.000 -0.629 0.000 1.182 42 A HN 0.712 nan 8.150 nan 0.000 0.501 43 C N -1.454 117.734 119.300 -0.186 0.000 2.994 43 C HA 1.062 5.610 4.460 0.146 0.000 0.304 43 C C 0.391 175.294 174.990 -0.144 0.000 1.273 43 C CA 0.171 59.062 59.018 -0.211 0.000 1.537 43 C CB 0.929 28.596 27.740 -0.120 0.000 2.001 43 C HN 2.581 nan 8.230 nan 0.000 0.471 44 G N 0.313 108.926 108.800 -0.311 0.000 2.302 44 G HA2 0.381 4.429 3.960 0.146 0.000 0.264 44 G HA3 0.381 4.429 3.960 0.146 0.000 0.264 44 G C -1.298 173.577 174.900 -0.042 0.000 1.335 44 G CA -0.121 44.958 45.100 -0.036 0.000 0.982 44 G HN 1.604 nan 8.290 nan 0.000 0.473 45 V N 0.729 120.658 119.914 0.025 0.000 2.521 45 V HA 0.511 4.719 4.120 0.146 0.000 0.286 45 V C 0.099 176.188 176.094 -0.008 0.000 1.034 45 V CA 0.195 62.513 62.300 0.030 0.000 1.045 45 V CB 1.014 32.867 31.823 0.049 0.000 0.974 45 V HN 0.962 nan 8.190 nan 0.000 0.480 46 L N 6.991 128.207 121.223 -0.011 0.000 2.457 46 L HA 0.596 5.024 4.340 0.146 0.000 0.266 46 L C -0.601 176.255 176.870 -0.025 0.000 0.979 46 L CA -0.200 54.630 54.840 -0.018 0.000 0.857 46 L CB 1.324 43.353 42.059 -0.049 0.000 1.213 46 L HN 0.476 nan 8.230 nan 0.000 0.418 47 I N 6.079 126.643 120.570 -0.010 0.000 2.533 47 I HA 0.193 4.450 4.170 0.146 0.000 0.284 47 I C -0.121 175.950 176.117 -0.078 0.000 1.109 47 I CA 0.530 61.782 61.300 -0.079 0.000 1.412 47 I CB 0.384 38.338 38.000 -0.076 0.000 1.396 47 I HN 0.340 nan 8.210 nan 0.000 0.543 48 I N 6.280 126.771 120.570 -0.132 0.000 2.389 48 I HA 0.386 4.643 4.170 0.146 0.000 0.288 48 I C 0.627 176.659 176.117 -0.141 0.000 0.999 48 I CA -0.371 60.867 61.300 -0.102 0.000 1.129 48 I CB 1.101 39.043 38.000 -0.097 0.000 1.288 48 I HN 0.585 nan 8.210 nan 0.000 0.444 49 G N 5.625 114.359 108.800 -0.109 0.000 2.377 49 G HA2 0.547 4.594 3.960 0.146 0.000 0.299 49 G HA3 0.547 4.594 3.960 0.146 0.000 0.299 49 G C -0.766 174.087 174.900 -0.078 0.000 1.150 49 G CA -0.256 44.781 45.100 -0.104 0.000 0.847 49 G HN 0.333 nan 8.290 nan 0.000 0.501 50 V N 4.136 124.006 119.914 -0.073 0.000 2.444 50 V HA 0.343 4.550 4.120 0.146 0.000 0.294 50 V C 0.388 176.455 176.094 -0.044 0.000 1.022 50 V CA -0.834 61.423 62.300 -0.071 0.000 0.850 50 V CB 0.765 32.529 31.823 -0.098 0.000 0.992 50 V HN 1.009 nan 8.190 nan 0.000 0.426 51 N N 3.227 121.909 118.700 -0.031 0.000 1.241 51 N HA -0.292 4.535 4.740 0.146 0.000 0.135 51 N C 1.304 176.897 175.510 0.138 0.000 0.723 51 N CA 1.697 54.764 53.050 0.028 0.000 0.950 51 N CB -0.566 37.873 38.487 -0.080 0.000 1.215 51 N HN 0.719 nan 8.380 nan 0.000 0.520 52 Q N 1.174 121.185 119.800 0.352 0.000 2.291 52 Q HA -0.020 4.407 4.340 0.146 0.000 0.206 52 Q C 1.943 178.041 176.000 0.162 0.000 0.976 52 Q CA 1.611 57.569 55.803 0.258 0.000 0.875 52 Q CB -0.621 28.206 28.738 0.148 0.000 0.927 52 Q HN 0.730 nan 8.270 nan 0.000 0.450 53 G N 0.708 109.571 108.800 0.106 0.000 2.509 53 G HA2 -0.215 3.833 3.960 0.146 0.000 0.218 53 G HA3 -0.215 3.833 3.960 0.146 0.000 0.218 53 G C 1.516 176.439 174.900 0.038 0.000 1.124 53 G CA 1.349 46.461 45.100 0.020 0.000 0.776 53 G HN 0.497 nan 8.290 nan 0.000 0.547 54 T N -0.836 113.749 114.554 0.052 0.000 2.995 54 T HA -0.014 4.424 4.350 0.146 0.000 0.269 54 T C 2.150 176.908 174.700 0.097 0.000 1.091 54 T CA 0.388 62.514 62.100 0.043 0.000 1.128 54 T CB -0.191 68.688 68.868 0.018 0.000 0.891 54 T HN 0.297 nan 8.240 nan 0.000 0.492 55 R N 1.510 122.097 120.500 0.145 0.000 2.285 55 R HA 0.143 4.570 4.340 0.146 0.000 0.213 55 R C 1.870 178.329 176.300 0.265 0.000 1.068 55 R CA 1.078 57.288 56.100 0.184 0.000 1.004 55 R CB -0.714 29.716 30.300 0.216 0.000 0.873 55 R HN 0.703 nan 8.270 nan 0.000 0.467 56 I N -3.410 117.333 120.570 0.288 0.000 3.947 56 I HA 0.150 4.408 4.170 0.146 0.000 0.327 56 I C 1.163 177.603 176.117 0.539 0.000 1.519 56 I CA -0.152 61.407 61.300 0.432 0.000 1.122 56 I CB 0.142 38.310 38.000 0.280 0.000 1.146 56 I HN -0.118 nan 8.210 nan 0.000 0.442 57 L N 0.758 122.191 121.223 0.350 0.000 2.141 57 L HA -0.047 4.380 4.340 0.146 0.000 0.209 57 L C 2.534 179.622 176.870 0.363 0.000 1.094 57 L CA 1.082 56.119 54.840 0.330 0.000 0.763 57 L CB -0.345 41.790 42.059 0.127 0.000 0.908 57 L HN 0.300 nan 8.230 nan 0.000 0.437 58 E N -0.039 120.319 120.200 0.263 0.000 2.118 58 E HA -0.218 4.220 4.350 0.146 0.000 0.195 58 E C 2.094 178.761 176.600 0.112 0.000 0.992 58 E CA 1.423 57.891 56.400 0.114 0.000 0.804 58 E CB -0.302 29.375 29.700 -0.038 0.000 0.741 58 E HN 0.439 nan 8.360 nan 0.000 0.458 59 F N -0.373 119.684 119.950 0.180 0.000 2.234 59 F HA -0.167 4.436 4.527 0.126 0.000 0.299 59 F C 2.107 177.971 175.800 0.106 0.000 1.087 59 F CA 0.902 58.983 58.000 0.134 0.000 1.340 59 F CB -0.610 38.431 39.000 0.067 0.000 1.031 59 F HN 0.068 nan 8.300 nan 0.000 0.500 60 Y N 0.163 120.710 120.300 0.413 0.000 2.314 60 Y HA -0.073 4.513 4.550 0.060 0.000 0.293 60 Y C 2.040 178.056 175.900 0.194 0.000 1.129 60 Y CA 0.913 59.203 58.100 0.316 0.000 1.201 60 Y CB -0.575 38.042 38.460 0.262 0.000 0.999 60 Y HN -0.058 nan 8.280 nan 0.000 0.541 61 K N -0.168 120.403 120.400 0.285 0.000 2.365 61 K HA -0.110 4.297 4.320 0.146 0.000 0.199 61 K C 0.573 177.246 176.600 0.121 0.000 1.045 61 K CA 1.269 57.663 56.287 0.177 0.000 0.962 61 K CB -0.047 32.534 32.500 0.136 0.000 0.759 61 K HN 0.288 nan 8.250 nan 0.000 0.469 62 D N 0.594 121.060 120.400 0.109 0.000 2.305 62 D HA 0.052 4.779 4.640 0.146 0.000 0.206 62 D C 0.593 176.920 176.300 0.045 0.000 0.974 62 D CA 0.307 54.347 54.000 0.066 0.000 0.871 62 D CB 0.135 40.962 40.800 0.046 0.000 0.947 62 D HN 0.028 nan 8.370 nan 0.000 0.516 63 L N 0.869 122.110 121.223 0.030 0.000 2.479 63 L HA 0.095 4.522 4.340 0.146 0.000 0.270 63 L C 0.946 177.816 176.870 -0.001 0.000 1.236 63 L CA 0.016 54.817 54.840 -0.065 0.000 0.823 63 L CB 0.356 42.349 42.059 -0.110 0.000 1.098 63 L HN -0.199 nan 8.230 nan 0.000 0.500 64 K N 0.979 121.355 120.400 -0.040 0.000 2.126 64 K HA 0.352 4.759 4.320 0.146 0.000 0.257 64 K C -0.806 175.830 176.600 0.059 0.000 1.007 64 K CA -0.643 55.675 56.287 0.051 0.000 0.928 64 K CB 0.748 33.238 32.500 -0.016 0.000 1.013 64 K HN 0.270 nan 8.250 nan 0.000 0.473 65 K N 0.649 121.123 120.400 0.122 0.000 2.316 65 K HA 0.413 4.820 4.320 0.146 0.000 0.251 65 K C -1.317 175.319 176.600 0.059 0.000 0.934 65 K CA -0.627 55.675 56.287 0.025 0.000 0.802 65 K CB 2.149 34.646 32.500 -0.006 0.000 1.171 65 K HN 0.198 nan 8.250 nan 0.000 0.426 66 V N 3.882 123.756 119.914 -0.066 0.000 2.444 66 V HA 0.466 4.673 4.120 0.146 0.000 0.294 66 V C -1.241 174.790 176.094 -0.104 0.000 1.022 66 V CA -0.811 61.532 62.300 0.072 0.000 0.850 66 V CB 0.643 32.592 31.823 0.210 0.000 0.992 66 V HN 0.593 nan 8.190 nan 0.000 0.426 67 Y N 2.287 122.633 120.300 0.077 0.000 2.562 67 Y HA 0.575 5.238 4.550 0.188 0.000 0.343 67 Y C -0.606 175.280 175.900 -0.023 0.000 1.025 67 Y CA -0.860 57.258 58.100 0.030 0.000 1.082 67 Y CB 2.003 40.449 38.460 -0.024 0.000 1.264 67 Y HN 0.721 nan 8.280 nan 0.000 0.478 68 W N 3.653 124.947 121.300 -0.009 0.000 2.475 68 W HA 0.709 5.450 4.660 0.135 0.000 0.320 68 W C -1.968 174.432 176.519 -0.199 0.000 1.022 68 W CA -0.994 56.254 57.345 -0.163 0.000 1.240 68 W CB 1.065 30.461 29.460 -0.107 0.000 1.328 68 W HN 0.409 nan 8.180 nan 0.000 0.439 69 V N 6.546 125.825 119.914 -1.058 0.000 2.919 69 V HA 0.635 4.842 4.120 0.146 0.000 0.316 69 V C -1.207 174.122 176.094 -1.275 0.000 1.077 69 V CA -1.135 60.586 62.300 -0.965 0.000 0.977 69 V CB 2.134 33.494 31.823 -0.771 0.000 1.039 69 V HN 0.464 nan 8.190 nan 0.000 0.441 70 K N 5.742 125.697 120.400 -0.743 0.000 2.578 70 K HA 0.620 5.027 4.320 0.146 0.000 0.250 70 K C -0.973 175.467 176.600 -0.266 0.000 0.955 70 K CA -0.622 55.347 56.287 -0.529 0.000 0.825 70 K CB 1.469 33.764 32.500 -0.342 0.000 1.151 70 K HN 0.824 nan 8.250 nan 0.000 0.432 71 M N 1.698 121.169 119.600 -0.216 0.000 2.528 71 M HA 0.560 5.128 4.480 0.146 0.000 0.321 71 M C -0.699 175.542 176.300 -0.097 0.000 1.153 71 M CA -1.013 54.207 55.300 -0.135 0.000 0.951 71 M CB 2.122 34.650 32.600 -0.120 0.000 1.705 71 M HN 0.334 nan 8.290 nan 0.000 0.451 72 R N 2.394 122.840 120.500 -0.089 0.000 2.229 72 R HA 0.622 5.050 4.340 0.146 0.000 0.332 72 R C -1.460 174.785 176.300 -0.092 0.000 0.989 72 R CA -0.279 55.775 56.100 -0.076 0.000 0.842 72 R CB 0.788 31.048 30.300 -0.067 0.000 1.119 72 R HN 0.890 nan 8.270 nan 0.000 0.456 73 L N 3.966 125.141 121.223 -0.082 0.000 2.397 73 L HA 0.310 4.737 4.340 0.146 0.000 0.271 73 L C 1.175 177.986 176.870 -0.099 0.000 1.148 73 L CA 0.531 55.315 54.840 -0.094 0.000 0.825 73 L CB 1.273 43.287 42.059 -0.075 0.000 1.117 73 L HN 1.038 nan 8.230 nan 0.000 0.456 74 G N 2.864 111.587 108.800 -0.128 0.000 2.137 74 G HA2 -0.246 3.802 3.960 0.146 0.000 0.237 74 G HA3 -0.246 3.802 3.960 0.146 0.000 0.237 74 G C -0.802 174.021 174.900 -0.127 0.000 1.002 74 G CA 0.066 45.088 45.100 -0.129 0.000 0.702 74 G HN 0.441 nan 8.290 nan 0.000 0.515 75 L N 0.169 121.306 121.223 -0.144 0.000 2.436 75 L HA 0.868 5.295 4.340 0.146 0.000 0.268 75 L C -0.725 176.044 176.870 -0.169 0.000 0.974 75 L CA -1.259 53.503 54.840 -0.130 0.000 0.826 75 L CB 1.668 43.667 42.059 -0.100 0.000 1.291 75 L HN 0.128 nan 8.230 nan 0.000 0.406 76 I N 4.377 124.854 120.570 -0.156 0.000 2.468 76 I HA 0.438 4.695 4.170 0.146 0.000 0.285 76 I C -0.009 176.074 176.117 -0.056 0.000 1.039 76 I CA -0.373 60.818 61.300 -0.181 0.000 1.074 76 I CB 2.180 39.999 38.000 -0.302 0.000 1.228 76 I HN 0.756 nan 8.210 nan 0.000 0.436 77 T N 0.167 114.730 114.554 0.016 0.000 2.922 77 T HA 0.360 4.797 4.350 0.146 0.000 0.281 77 T C 0.810 175.600 174.700 0.149 0.000 1.005 77 T CA -0.405 61.729 62.100 0.057 0.000 0.982 77 T CB 2.210 71.082 68.868 0.007 0.000 1.158 77 T HN 0.535 nan 8.240 nan 0.000 0.566 78 E N 0.337 120.576 120.200 0.066 0.000 2.047 78 E HA -0.083 4.354 4.350 0.146 0.000 0.191 78 E C 2.066 178.602 176.600 -0.106 0.000 0.987 78 E CA 2.191 58.603 56.400 0.020 0.000 0.799 78 E CB -0.646 29.044 29.700 -0.018 0.000 0.752 78 E HN 0.879 nan 8.360 nan 0.000 0.449 79 T N -3.018 111.475 114.554 -0.102 0.000 3.107 79 T HA 0.134 4.571 4.350 0.146 0.000 0.249 79 T C 0.743 175.384 174.700 -0.098 0.000 1.096 79 T CA 0.125 62.109 62.100 -0.194 0.000 1.012 79 T CB -0.502 68.278 68.868 -0.148 0.000 0.977 79 T HN 0.350 nan 8.240 nan 0.000 0.527 80 F N 1.593 121.454 119.950 -0.150 0.000 2.795 80 F HA -0.219 4.393 4.527 0.143 0.000 0.297 80 F C -0.285 175.382 175.800 -0.222 0.000 0.699 80 F CA 0.247 58.146 58.000 -0.167 0.000 1.384 80 F CB -1.889 37.028 39.000 -0.139 0.000 1.672 80 F HN 0.556 nan 8.300 nan 0.000 0.345 81 D N -0.606 119.718 120.400 -0.128 0.000 2.602 81 D HA 0.494 5.222 4.640 0.146 0.000 0.236 81 D C 0.636 176.760 176.300 -0.293 0.000 1.209 81 D CA -0.593 53.185 54.000 -0.371 0.000 0.831 81 D CB 0.285 40.490 40.800 -0.991 0.000 1.478 81 D HN -0.109 nan 8.370 nan 0.000 0.438 82 I N -0.946 119.468 120.570 -0.260 0.000 2.300 82 I HA -0.181 4.076 4.170 0.146 0.000 0.252 82 I C 1.932 177.972 176.117 -0.128 0.000 1.119 82 I CA 2.008 63.224 61.300 -0.140 0.000 1.384 82 I CB -2.107 35.853 38.000 -0.067 0.000 1.062 82 I HN 0.654 nan 8.210 nan 0.000 0.426 83 T N -1.525 112.917 114.554 -0.188 0.000 3.163 83 T HA 0.277 4.715 4.350 0.146 0.000 0.260 83 T C 0.998 175.636 174.700 -0.102 0.000 1.156 83 T CA 0.213 62.245 62.100 -0.112 0.000 1.072 83 T CB -1.251 67.563 68.868 -0.089 0.000 0.937 83 T HN 0.508 nan 8.240 nan 0.000 0.528 84 G N 0.362 109.089 108.800 -0.121 0.000 2.389 84 G HA2 0.434 4.481 3.960 0.146 0.000 0.317 84 G HA3 0.434 4.481 3.960 0.146 0.000 0.317 84 G C -0.869 174.002 174.900 -0.048 0.000 1.137 84 G CA -0.799 44.252 45.100 -0.081 0.000 0.870 84 G HN 0.453 nan 8.290 nan 0.000 0.496 85 E N 1.112 121.293 120.200 -0.032 0.000 2.351 85 E HA 0.116 4.554 4.350 0.146 0.000 0.266 85 E C 0.206 176.803 176.600 -0.006 0.000 1.031 85 E CA -0.432 55.957 56.400 -0.018 0.000 0.911 85 E CB 0.592 30.285 29.700 -0.013 0.000 0.986 85 E HN 0.144 nan 8.360 nan 0.000 0.446 86 V N 6.228 126.135 119.914 -0.011 0.000 2.475 86 V HA -0.093 4.115 4.120 0.146 0.000 0.292 86 V C 1.256 177.355 176.094 0.009 0.000 1.003 86 V CA 0.484 62.779 62.300 -0.008 0.000 1.120 86 V CB 0.482 32.294 31.823 -0.017 0.000 0.937 86 V HN 0.694 nan 8.190 nan 0.000 0.476 87 V N 1.311 121.244 119.914 0.031 0.000 3.645 87 V HA 0.494 4.701 4.120 0.146 0.000 0.275 87 V C 0.362 176.494 176.094 0.064 0.000 1.356 87 V CA 0.515 62.852 62.300 0.062 0.000 1.051 87 V CB 0.023 31.923 31.823 0.128 0.000 0.828 87 V HN 0.897 nan 8.190 nan 0.000 0.441 88 E N 0.055 120.269 120.200 0.023 0.000 2.431 88 E HA 0.368 4.805 4.350 0.146 0.000 0.287 88 E C -1.658 174.912 176.600 -0.050 0.000 1.032 88 E CA -0.394 56.007 56.400 0.001 0.000 0.839 88 E CB 1.889 31.612 29.700 0.037 0.000 1.218 88 E HN 0.366 nan 8.360 nan 0.000 0.424 89 E N 4.001 124.170 120.200 -0.053 0.000 2.502 89 E HA 0.292 4.729 4.350 0.146 0.000 0.261 89 E C -0.592 175.965 176.600 -0.072 0.000 0.974 89 E CA -0.338 56.020 56.400 -0.070 0.000 0.795 89 E CB 0.851 30.519 29.700 -0.053 0.000 1.385 89 E HN 0.420 nan 8.360 nan 0.000 0.400 90 R N 1.254 121.694 120.500 -0.100 0.000 2.811 90 R HA 0.336 4.763 4.340 0.146 0.000 0.237 90 R C -0.055 176.195 176.300 -0.083 0.000 1.231 90 R CA -0.648 55.395 56.100 -0.096 0.000 1.070 90 R CB 0.373 30.592 30.300 -0.136 0.000 1.126 90 R HN 0.299 nan 8.270 nan 0.000 0.540 91 E N 0.235 120.388 120.200 -0.078 0.000 2.199 91 E HA 0.258 4.695 4.350 0.146 0.000 0.265 91 E C -1.625 174.934 176.600 -0.069 0.000 0.882 91 E CA -0.566 55.795 56.400 -0.064 0.000 0.759 91 E CB 1.793 31.464 29.700 -0.049 0.000 1.148 91 E HN 0.414 nan 8.360 nan 0.000 0.412 92 c N 4.097 122.659 118.600 -0.063 0.000 2.379 92 c HA 0.581 5.239 4.570 0.146 0.000 0.323 92 c C -0.623 173.441 174.090 -0.043 0.000 1.262 92 c CA -0.614 55.678 56.329 -0.061 0.000 1.581 92 c CB -0.425 42.043 42.510 -0.070 0.000 2.221 92 c HN 0.772 nan 8.230 nan 0.000 0.497 93 N N 2.503 121.181 118.700 -0.037 0.000 2.673 93 N HA 0.329 5.156 4.740 0.146 0.000 0.265 93 N C -0.927 174.570 175.510 -0.022 0.000 1.709 93 N CA -0.480 52.554 53.050 -0.026 0.000 0.792 93 N CB 0.074 38.547 38.487 -0.023 0.000 1.286 93 N HN 0.385 nan 8.380 nan 0.000 0.506 94 V N -2.064 117.837 119.914 -0.022 0.000 2.966 94 V HA 0.828 5.035 4.120 0.146 0.000 0.317 94 V C 0.759 176.848 176.094 -0.008 0.000 1.070 94 V CA -0.671 61.620 62.300 -0.016 0.000 1.008 94 V CB 1.171 32.983 31.823 -0.019 0.000 1.070 94 V HN 0.440 nan 8.190 nan 0.000 0.457 95 T N -1.284 113.269 114.554 -0.002 0.000 2.899 95 T HA 0.365 4.803 4.350 0.146 0.000 0.284 95 T C 0.758 175.465 174.700 0.011 0.000 1.004 95 T CA -0.076 62.027 62.100 0.005 0.000 1.043 95 T CB 1.135 70.008 68.868 0.007 0.000 1.013 95 T HN 0.793 nan 8.240 nan 0.000 0.518 96 E N 0.486 120.696 120.200 0.017 0.000 2.209 96 E HA -0.168 4.270 4.350 0.146 0.000 0.196 96 E C 1.739 178.362 176.600 0.038 0.000 0.993 96 E CA 1.266 57.683 56.400 0.028 0.000 0.819 96 E CB 0.002 29.723 29.700 0.034 0.000 0.745 96 E HN 0.720 nan 8.360 nan 0.000 0.477 97 E N 0.692 120.911 120.200 0.033 0.000 2.216 97 E HA -0.098 4.339 4.350 0.146 0.000 0.192 97 E C 1.612 178.235 176.600 0.038 0.000 0.988 97 E CA 0.630 57.053 56.400 0.039 0.000 0.834 97 E CB 0.074 29.790 29.700 0.027 0.000 0.772 97 E HN 0.280 nan 8.360 nan 0.000 0.479 98 E N 0.092 120.307 120.200 0.024 0.000 2.112 98 E HA -0.062 4.375 4.350 0.146 0.000 0.190 98 E C 1.927 178.539 176.600 0.019 0.000 0.979 98 E CA 0.542 56.953 56.400 0.018 0.000 0.814 98 E CB 0.021 29.725 29.700 0.007 0.000 0.762 98 E HN 0.272 nan 8.360 nan 0.000 0.460 99 I N 0.834 121.413 120.570 0.014 0.000 2.133 99 I HA -0.252 4.005 4.170 0.146 0.000 0.238 99 I C 2.559 178.675 176.117 -0.001 0.000 1.074 99 I CA 1.047 62.344 61.300 -0.004 0.000 1.342 99 I CB -0.267 37.727 38.000 -0.010 0.000 1.053 99 I HN 0.001 nan 8.210 nan 0.000 0.404 100 R N 0.398 120.927 120.500 0.049 0.000 2.103 100 R HA -0.222 4.206 4.340 0.146 0.000 0.242 100 R C 2.322 178.751 176.300 0.215 0.000 1.142 100 R CA 1.457 57.644 56.100 0.145 0.000 0.960 100 R CB -0.422 30.030 30.300 0.253 0.000 0.858 100 R HN 0.345 nan 8.270 nan 0.000 0.439 101 E N 0.788 121.072 120.200 0.140 0.000 2.085 101 E HA -0.178 4.260 4.350 0.146 0.000 0.194 101 E C 1.829 178.485 176.600 0.093 0.000 0.994 101 E CA 1.665 58.136 56.400 0.119 0.000 0.801 101 E CB -0.078 29.659 29.700 0.060 0.000 0.743 101 E HN 0.337 nan 8.360 nan 0.000 0.453 102 A N 1.305 124.158 122.820 0.056 0.000 1.873 102 A HA -0.141 4.266 4.320 0.146 0.000 0.215 102 A C 2.260 179.899 177.584 0.092 0.000 1.186 102 A CA 1.291 53.369 52.037 0.069 0.000 0.616 102 A CB -0.489 18.544 19.000 0.055 0.000 0.823 102 A HN 0.236 nan 8.150 nan 0.000 0.442 103 I N -0.784 119.736 120.570 -0.084 0.000 2.052 103 I HA -0.239 4.018 4.170 0.146 0.000 0.235 103 I C 2.230 178.195 176.117 -0.252 0.000 1.046 103 I CA 1.639 62.731 61.300 -0.346 0.000 1.308 103 I CB -1.891 35.662 38.000 -0.745 0.000 1.031 103 I HN 0.346 nan 8.210 nan 0.000 0.395 104 F N 1.666 121.584 119.950 -0.053 0.000 2.664 104 F HA -0.130 4.484 4.527 0.145 0.000 0.297 104 F C 2.620 178.428 175.800 0.013 0.000 1.164 104 F CA 0.910 58.904 58.000 -0.010 0.000 1.472 104 F CB -0.755 38.242 39.000 -0.004 0.000 1.108 104 F HN 0.193 nan 8.300 nan 0.000 0.596 105 S N -1.176 114.604 115.700 0.133 0.000 2.562 105 S HA -0.062 4.495 4.470 0.146 0.000 0.221 105 S C 1.330 175.828 174.600 -0.170 0.000 0.975 105 S CA 0.312 58.496 58.200 -0.027 0.000 0.918 105 S CB -0.760 62.364 63.200 -0.128 0.000 0.772 105 S HN 0.304 nan 8.310 nan 0.000 0.531 106 F N 1.741 121.637 119.950 -0.090 0.000 2.727 106 F HA 0.388 5.002 4.527 0.146 0.000 0.302 106 F C 0.525 176.328 175.800 0.004 0.000 1.097 106 F CA -0.519 57.414 58.000 -0.112 0.000 1.330 106 F CB 0.191 39.068 39.000 -0.205 0.000 1.084 106 F HN -0.027 nan 8.300 nan 0.000 0.578 107 V N 1.208 121.224 119.914 0.170 0.000 2.425 107 V HA 0.449 4.656 4.120 0.146 0.000 0.276 107 V C 0.780 176.944 176.094 0.117 0.000 1.017 107 V CA 0.964 63.362 62.300 0.164 0.000 1.062 107 V CB -0.249 31.689 31.823 0.192 0.000 0.997 107 V HN 0.561 nan 8.190 nan 0.000 0.476 108 G N 4.893 113.753 108.800 0.099 0.000 2.011 108 G HA2 0.127 4.174 3.960 0.146 0.000 0.054 108 G HA3 0.127 4.174 3.960 0.146 0.000 0.054 108 G C -0.609 174.315 174.900 0.041 0.000 0.853 108 G CA 0.045 45.183 45.100 0.063 0.000 1.135 108 G HN 0.855 nan 8.290 nan 0.000 0.372 109 E N -0.788 119.465 120.200 0.090 0.000 2.363 109 E HA 0.598 5.035 4.350 0.146 0.000 0.281 109 E C -0.793 175.910 176.600 0.170 0.000 0.953 109 E CA -0.743 55.700 56.400 0.072 0.000 0.778 109 E CB 1.730 31.424 29.700 -0.010 0.000 1.220 109 E HN 1.452 nan 8.360 nan 0.000 0.431 110 Y N -0.282 120.031 120.300 0.021 0.000 2.890 110 Y HA 0.305 4.943 4.550 0.146 0.000 0.266 110 Y C -0.926 174.993 175.900 0.033 0.000 1.090 110 Y CA -0.631 57.484 58.100 0.026 0.000 1.258 110 Y CB 0.227 38.717 38.460 0.049 0.000 1.346 110 Y HN 0.428 nan 8.280 nan 0.000 0.578 111 D N 2.556 122.786 120.400 -0.283 0.000 4.478 111 D HA -0.182 4.545 4.640 0.146 0.000 0.238 111 D C -0.467 175.718 176.300 -0.192 0.000 1.056 111 D CA 1.540 55.434 54.000 -0.177 0.000 1.245 111 D CB -0.239 40.542 40.800 -0.032 0.000 0.794 111 D HN 0.892 nan 8.370 nan 0.000 0.394 112 Q N -1.214 118.440 119.800 -0.243 0.000 2.378 112 Q HA 0.796 5.224 4.340 0.146 0.000 0.276 112 Q C -0.183 175.830 176.000 0.021 0.000 1.083 112 Q CA -1.082 54.693 55.803 -0.047 0.000 0.856 112 Q CB 2.395 31.112 28.738 -0.036 0.000 1.383 112 Q HN 0.268 nan 8.270 nan 0.000 0.458 113 V N -3.576 116.369 119.914 0.052 0.000 3.046 113 V HA 0.682 4.889 4.120 0.146 0.000 0.316 113 V C -2.747 173.298 176.094 -0.082 0.000 1.104 113 V CA -2.828 59.475 62.300 0.006 0.000 1.006 113 V CB 1.187 33.005 31.823 -0.007 0.000 1.058 113 V HN 0.715 nan 8.190 nan 0.000 0.440 114 P HA 0.244 nan 4.420 nan 0.000 0.269 114 P C -2.670 174.399 177.300 -0.385 0.000 1.215 114 P CA -0.903 61.850 63.100 -0.578 0.000 0.780 114 P CB -0.242 31.189 31.700 -0.448 0.000 0.898 115 P HA 0.044 nan 4.420 nan 0.000 0.264 115 P C -0.616 176.238 177.300 -0.744 0.000 1.236 115 P CA 0.560 63.206 63.100 -0.756 0.000 0.811 115 P CB 0.430 31.670 31.700 -0.767 0.000 0.840 116 A N 4.778 127.253 122.820 -0.574 0.000 3.259 116 A HA 0.380 4.787 4.320 0.146 0.000 0.203 116 A C -0.186 177.292 177.584 -0.176 0.000 2.011 116 A CA -0.155 51.716 52.037 -0.277 0.000 1.833 116 A CB -0.743 18.226 19.000 -0.052 0.000 1.287 116 A HN 0.375 nan 8.150 nan 0.000 0.371 117 Y N -0.067 120.191 120.300 -0.070 0.000 2.643 117 Y HA -0.053 4.584 4.550 0.145 0.000 0.062 117 Y C 0.359 176.259 175.900 -0.000 0.000 1.809 117 Y CA 0.768 58.886 58.100 0.030 0.000 1.309 117 Y CB -0.810 37.753 38.460 0.171 0.000 1.957 117 Y HN 0.744 nan 8.280 nan 0.000 0.277 118 S N 2.715 118.314 115.700 -0.169 0.000 2.726 118 S HA 0.866 5.423 4.470 0.146 0.000 0.308 118 S C 0.619 175.165 174.600 -0.091 0.000 1.115 118 S CA -0.262 57.894 58.200 -0.072 0.000 0.965 118 S CB 1.815 64.969 63.200 -0.076 0.000 1.145 118 S HN 1.091 nan 8.310 nan 0.000 0.532 119 A N 1.106 123.908 122.820 -0.029 0.000 2.275 119 A HA 0.349 4.756 4.320 0.146 0.000 0.212 119 A C 0.637 178.186 177.584 -0.058 0.000 1.201 119 A CA 0.079 52.104 52.037 -0.021 0.000 0.843 119 A CB -0.214 18.791 19.000 0.008 0.000 0.873 119 A HN 0.697 nan 8.150 nan 0.000 0.492 120 K N 0.142 120.499 120.400 -0.071 0.000 2.120 120 K HA 0.287 4.694 4.320 0.146 0.000 0.245 120 K C -0.107 176.419 176.600 -0.124 0.000 1.024 120 K CA -0.496 55.746 56.287 -0.075 0.000 0.906 120 K CB 0.547 33.022 32.500 -0.041 0.000 1.051 120 K HN 0.082 nan 8.250 nan 0.000 0.491 121 K N 1.114 121.414 120.400 -0.166 0.000 2.416 121 K HA -0.032 4.375 4.320 0.146 0.000 0.283 121 K C -0.997 175.424 176.600 -0.298 0.000 1.037 121 K CA 0.487 56.533 56.287 -0.402 0.000 0.995 121 K CB -0.167 31.991 32.500 -0.569 0.000 0.938 121 K HN 0.559 nan 8.250 nan 0.000 0.475 122 Y N 1.969 122.243 120.300 -0.043 0.000 4.366 122 Y HA -0.295 4.342 4.550 0.145 0.000 0.236 122 Y C 0.278 176.141 175.900 -0.062 0.000 1.142 122 Y CA 0.256 58.332 58.100 -0.041 0.000 2.024 122 Y CB -1.075 37.368 38.460 -0.028 0.000 1.621 122 Y HN 0.614 nan 8.280 nan 0.000 0.694 123 K N -1.297 119.091 120.400 -0.021 0.000 2.585 123 K HA 0.340 4.747 4.320 0.146 0.000 0.210 123 K C 1.313 177.754 176.600 -0.264 0.000 1.294 123 K CA 0.678 56.916 56.287 -0.081 0.000 1.025 123 K CB 1.008 33.473 32.500 -0.059 0.000 1.076 123 K HN 0.356 nan 8.250 nan 0.000 0.613 124 G N 1.331 109.912 108.800 -0.365 0.000 3.348 124 G HA2 0.026 4.073 3.960 0.146 0.000 0.180 124 G HA3 0.026 4.073 3.960 0.146 0.000 0.180 124 G C 0.250 174.690 174.900 -0.768 0.000 1.915 124 G CA -0.021 44.533 45.100 -0.910 0.000 0.937 124 G HN 0.172 nan 8.290 nan 0.000 0.564 125 E N -0.948 119.100 120.200 -0.253 0.000 2.585 125 E HA 0.239 4.676 4.350 0.146 0.000 0.256 125 E C 1.246 177.932 176.600 0.145 0.000 1.383 125 E CA 0.265 56.840 56.400 0.292 0.000 1.029 125 E CB 0.448 30.378 29.700 0.383 0.000 1.044 125 E HN 0.479 nan 8.360 nan 0.000 0.595 126 R N -1.677 118.943 120.500 0.200 0.000 1.364 126 R HA -0.303 4.124 4.340 0.146 0.000 0.054 126 R C 1.715 178.078 176.300 0.106 0.000 0.950 126 R CA 1.642 57.818 56.100 0.127 0.000 1.972 126 R CB -1.688 28.672 30.300 0.100 0.000 0.282 126 R HN 0.512 nan 8.270 nan 0.000 0.723 127 L N 0.555 121.831 121.223 0.088 0.000 2.044 127 L HA -0.029 4.398 4.340 0.146 0.000 0.205 127 L C 2.070 179.008 176.870 0.114 0.000 1.075 127 L CA 2.645 57.527 54.840 0.071 0.000 0.747 127 L CB -1.035 41.040 42.059 0.027 0.000 0.903 127 L HN 0.509 nan 8.230 nan 0.000 0.435 128 Y N 0.611 120.936 120.300 0.042 0.000 2.165 128 Y HA -0.267 4.369 4.550 0.144 0.000 0.286 128 Y C 2.660 178.593 175.900 0.055 0.000 1.155 128 Y CA 2.386 60.537 58.100 0.084 0.000 1.164 128 Y CB -0.287 38.303 38.460 0.217 0.000 0.978 128 Y HN 0.269 nan 8.280 nan 0.000 0.513 129 K N 0.014 120.444 120.400 0.050 0.000 2.002 129 K HA -0.172 4.236 4.320 0.146 0.000 0.209 129 K C 2.154 178.714 176.600 -0.067 0.000 1.048 129 K CA 1.807 58.068 56.287 -0.044 0.000 0.930 129 K CB -0.410 32.141 32.500 0.086 0.000 0.714 129 K HN 0.393 nan 8.250 nan 0.000 0.438 130 L N 0.258 121.474 121.223 -0.012 0.000 2.046 130 L HA -0.186 4.241 4.340 0.146 0.000 0.208 130 L C 2.590 179.439 176.870 -0.036 0.000 1.077 130 L CA 1.211 56.042 54.840 -0.015 0.000 0.747 130 L CB -0.580 41.483 42.059 0.006 0.000 0.896 130 L HN 0.312 nan 8.230 nan 0.000 0.432 131 A N -0.140 122.654 122.820 -0.043 0.000 1.865 131 A HA -0.222 4.186 4.320 0.146 0.000 0.217 131 A C 2.337 179.873 177.584 -0.080 0.000 1.191 131 A CA 1.379 53.388 52.037 -0.047 0.000 0.623 131 A CB -0.515 18.469 19.000 -0.027 0.000 0.826 131 A HN 0.249 nan 8.150 nan 0.000 0.444 132 R N 0.104 120.504 120.500 -0.167 0.000 2.133 132 R HA -0.165 4.263 4.340 0.146 0.000 0.247 132 R C 1.576 177.828 176.300 -0.080 0.000 1.151 132 R CA 1.756 57.753 56.100 -0.172 0.000 0.971 132 R CB -0.709 29.390 30.300 -0.334 0.000 0.866 132 R HN 0.747 nan 8.270 nan 0.000 0.447 133 E N -0.679 119.480 120.200 -0.068 0.000 2.511 133 E HA 0.034 4.472 4.350 0.146 0.000 0.196 133 E C 0.769 177.355 176.600 -0.022 0.000 1.066 133 E CA 0.385 56.765 56.400 -0.034 0.000 0.871 133 E CB 0.087 29.771 29.700 -0.026 0.000 0.863 133 E HN 0.531 nan 8.360 nan 0.000 0.520 134 G N 1.833 110.618 108.800 -0.026 0.000 2.153 134 G HA2 -0.307 3.741 3.960 0.146 0.000 0.252 134 G HA3 -0.307 3.741 3.960 0.146 0.000 0.252 134 G C 0.991 175.882 174.900 -0.014 0.000 0.994 134 G CA 0.519 45.609 45.100 -0.017 0.000 0.698 134 G HN 0.118 nan 8.290 nan 0.000 0.521 135 K N -0.832 119.559 120.400 -0.016 0.000 2.186 135 K HA 0.205 4.612 4.320 0.146 0.000 0.202 135 K C 1.207 177.801 176.600 -0.011 0.000 1.052 135 K CA 0.257 56.537 56.287 -0.012 0.000 0.965 135 K CB 0.239 32.733 32.500 -0.010 0.000 0.746 135 K HN 0.463 nan 8.250 nan 0.000 0.457 136 I N 1.444 122.007 120.570 -0.012 0.000 2.496 136 I HA 0.021 4.278 4.170 0.146 0.000 0.285 136 I C 1.609 177.720 176.117 -0.010 0.000 1.080 136 I CA 0.035 61.329 61.300 -0.010 0.000 1.404 136 I CB 0.799 38.794 38.000 -0.009 0.000 1.403 136 I HN -0.026 nan 8.210 nan 0.000 0.539 137 I N 6.076 126.641 120.570 -0.009 0.000 2.716 137 I HA -0.147 4.110 4.170 0.146 0.000 0.259 137 I C 1.928 178.041 176.117 -0.007 0.000 1.172 137 I CA 0.689 61.985 61.300 -0.008 0.000 1.478 137 I CB -0.094 37.901 38.000 -0.008 0.000 1.104 137 I HN 0.822 nan 8.210 nan 0.000 0.439 138 N N 1.372 120.067 118.700 -0.008 0.000 2.467 138 N HA -0.062 4.766 4.740 0.146 0.000 0.184 138 N C 0.335 175.840 175.510 -0.008 0.000 1.106 138 N CA 0.451 53.497 53.050 -0.008 0.000 0.892 138 N CB 0.156 38.637 38.487 -0.010 0.000 0.969 138 N HN 0.349 nan 8.380 nan 0.000 0.454 139 L N 1.714 122.931 121.223 -0.009 0.000 2.495 139 L HA 0.460 4.887 4.340 0.146 0.000 0.248 139 L C -2.646 174.220 176.870 -0.007 0.000 1.229 139 L CA -1.649 53.184 54.840 -0.011 0.000 0.942 139 L CB 1.579 43.628 42.059 -0.016 0.000 1.242 139 L HN -0.182 nan 8.230 nan 0.000 0.484 140 P HA 0.180 nan 4.420 nan 0.000 0.271 140 P C -2.312 174.991 177.300 0.004 0.000 1.220 140 P CA -0.935 62.166 63.100 0.002 0.000 0.768 140 P CB 0.084 31.788 31.700 0.007 0.000 0.848 141 P HA 0.232 nan 4.420 nan 0.000 0.277 141 P C -0.795 176.502 177.300 -0.005 0.000 1.240 141 P CA -0.300 62.797 63.100 -0.004 0.000 0.798 141 P CB 1.162 32.855 31.700 -0.011 0.000 0.979 142 K N 1.488 121.881 120.400 -0.012 0.000 2.259 142 K HA 0.380 4.787 4.320 0.146 0.000 0.252 142 K C -0.350 176.206 176.600 -0.073 0.000 0.936 142 K CA -1.036 55.239 56.287 -0.020 0.000 0.810 142 K CB 1.392 33.900 32.500 0.015 0.000 1.143 142 K HN 0.162 nan 8.250 nan 0.000 0.427 143 R N 3.382 123.843 120.500 -0.064 0.000 2.242 143 R HA 0.180 4.608 4.340 0.146 0.000 0.334 143 R C -0.726 175.507 176.300 -0.112 0.000 1.071 143 R CA -0.342 55.703 56.100 -0.091 0.000 0.922 143 R CB 0.109 30.381 30.300 -0.047 0.000 1.023 143 R HN 0.440 nan 8.270 nan 0.000 0.458 144 V N 0.484 120.281 119.914 -0.195 0.000 3.096 144 V HA 0.675 4.882 4.120 0.146 0.000 0.319 144 V C -0.578 175.409 176.094 -0.179 0.000 1.103 144 V CA -0.984 61.209 62.300 -0.178 0.000 1.016 144 V CB 2.074 33.772 31.823 -0.209 0.000 1.090 144 V HN 0.672 nan 8.190 nan 0.000 0.449 145 K N 1.881 122.144 120.400 -0.229 0.000 2.413 145 K HA 0.615 5.023 4.320 0.146 0.000 0.257 145 K C -1.679 174.620 176.600 -0.501 0.000 0.946 145 K CA -0.606 55.432 56.287 -0.416 0.000 0.823 145 K CB 1.885 33.957 32.500 -0.714 0.000 1.109 145 K HN 0.597 nan 8.250 nan 0.000 0.427 146 I N 4.645 125.073 120.570 -0.237 0.000 2.310 146 I HA 0.130 4.387 4.170 0.146 0.000 0.287 146 I C 0.431 176.510 176.117 -0.063 0.000 1.073 146 I CA -0.246 61.023 61.300 -0.052 0.000 1.216 146 I CB -0.001 38.094 38.000 0.160 0.000 1.415 146 I HN 0.613 nan 8.210 nan 0.000 0.480 147 F N 4.497 124.561 119.950 0.189 0.000 2.075 147 F HA -0.076 4.531 4.527 0.133 0.000 0.297 147 F C 1.193 177.116 175.800 0.204 0.000 1.113 147 F CA 0.959 59.061 58.000 0.170 0.000 1.218 147 F CB -0.424 38.664 39.000 0.147 0.000 0.984 147 F HN 0.332 nan 8.300 nan 0.000 0.472 148 K N -0.795 119.890 120.400 0.474 0.000 2.568 148 K HA 0.663 5.070 4.320 0.146 0.000 0.273 148 K C -1.557 175.401 176.600 0.596 0.000 0.951 148 K CA -0.689 55.878 56.287 0.466 0.000 0.854 148 K CB 2.005 34.737 32.500 0.388 0.000 1.424 148 K HN 0.004 nan 8.250 nan 0.000 0.427 149 I N 1.676 122.577 120.570 0.553 0.000 2.498 149 I HA 0.649 4.906 4.170 0.146 0.000 0.290 149 I C -1.234 175.263 176.117 0.633 0.000 1.032 149 I CA -0.512 61.025 61.300 0.394 0.000 1.073 149 I CB 1.337 39.307 38.000 -0.050 0.000 1.251 149 I HN 0.938 nan 8.210 nan 0.000 0.426 150 W N 3.183 124.640 121.300 0.262 0.000 2.940 150 W HA 0.576 5.313 4.660 0.130 0.000 0.394 150 W C -1.175 175.509 176.519 0.276 0.000 1.155 150 W CA -0.794 56.731 57.345 0.300 0.000 1.165 150 W CB 0.311 29.915 29.460 0.241 0.000 1.492 150 W HN 0.369 nan 8.180 nan 0.000 0.593 151 D N 0.456 121.087 120.400 0.385 0.000 2.689 151 D HA -0.142 4.586 4.640 0.146 0.000 0.237 151 D C -0.407 176.004 176.300 0.185 0.000 1.148 151 D CA 0.779 54.927 54.000 0.247 0.000 0.656 151 D CB -1.443 39.456 40.800 0.165 0.000 1.050 151 D HN 0.350 nan 8.370 nan 0.000 0.426 152 V N 0.730 120.769 119.914 0.208 0.000 2.583 152 V HA 0.326 4.534 4.120 0.146 0.000 0.287 152 V C 0.744 176.927 176.094 0.148 0.000 1.051 152 V CA -0.211 62.176 62.300 0.146 0.000 1.010 152 V CB 1.638 33.502 31.823 0.069 0.000 0.988 152 V HN 0.326 nan 8.190 nan 0.000 0.478 153 N N 4.147 122.920 118.700 0.121 0.000 2.558 153 N HA 0.412 5.239 4.740 0.146 0.000 0.285 153 N C -1.117 174.440 175.510 0.078 0.000 1.112 153 N CA -0.406 52.711 53.050 0.112 0.000 0.857 153 N CB 1.042 39.614 38.487 0.142 0.000 1.376 153 N HN 0.568 nan 8.380 nan 0.000 0.526 154 I N 2.025 122.634 120.570 0.065 0.000 2.291 154 I HA 0.243 4.500 4.170 0.146 0.000 0.292 154 I C -0.045 176.097 176.117 0.041 0.000 1.064 154 I CA -0.355 60.971 61.300 0.043 0.000 1.269 154 I CB 1.008 39.030 38.000 0.036 0.000 1.418 154 I HN 0.445 nan 8.210 nan 0.000 0.485 155 E N 5.219 125.440 120.200 0.035 0.000 2.683 155 E HA 0.497 4.934 4.350 0.146 0.000 0.224 155 E C 0.390 177.002 176.600 0.020 0.000 1.046 155 E CA 0.180 56.600 56.400 0.033 0.000 0.811 155 E CB 0.886 30.613 29.700 0.045 0.000 1.296 155 E HN 0.790 nan 8.360 nan 0.000 0.421 156 G N 2.694 111.502 108.800 0.013 0.000 2.509 156 G HA2 -0.412 3.635 3.960 0.146 0.000 0.256 156 G HA3 -0.412 3.635 3.960 0.146 0.000 0.256 156 G C 0.893 175.790 174.900 -0.005 0.000 1.152 156 G CA 0.201 45.303 45.100 0.004 0.000 0.951 156 G HN 0.527 nan 8.290 nan 0.000 0.559 157 R N 0.737 121.230 120.500 -0.011 0.000 2.236 157 R HA 0.188 4.616 4.340 0.146 0.000 0.208 157 R C -0.314 175.970 176.300 -0.027 0.000 1.036 157 R CA 1.237 57.323 56.100 -0.024 0.000 1.001 157 R CB -0.051 30.232 30.300 -0.029 0.000 0.896 157 R HN 0.395 nan 8.270 nan 0.000 0.464 158 D N 2.166 122.556 120.400 -0.017 0.000 2.198 158 D HA 0.248 4.975 4.640 0.146 0.000 0.245 158 D C -0.375 175.915 176.300 -0.017 0.000 1.079 158 D CA -0.360 53.627 54.000 -0.023 0.000 0.854 158 D CB 2.255 43.049 40.800 -0.010 0.000 1.148 158 D HN 0.079 nan 8.370 nan 0.000 0.456 159 V N -0.531 119.361 119.914 -0.037 0.000 2.823 159 V HA 0.882 5.090 4.120 0.146 0.000 0.312 159 V C -0.261 175.778 176.094 -0.092 0.000 1.072 159 V CA -0.805 61.482 62.300 -0.021 0.000 0.937 159 V CB 1.860 33.688 31.823 0.007 0.000 1.013 159 V HN 0.577 nan 8.190 nan 0.000 0.430 160 S N 3.033 118.674 115.700 -0.098 0.000 2.632 160 S HA 1.030 5.588 4.470 0.146 0.000 0.289 160 S C -0.871 173.608 174.600 -0.202 0.000 1.115 160 S CA -0.492 57.470 58.200 -0.398 0.000 0.889 160 S CB 2.127 65.045 63.200 -0.470 0.000 1.116 160 S HN 2.247 nan 8.310 nan 0.000 0.486 161 F N -2.049 117.545 119.950 -0.593 0.000 2.900 161 F HA 0.690 5.304 4.527 0.144 0.000 0.321 161 F C -1.506 173.964 175.800 -0.551 0.000 1.160 161 F CA -1.345 56.394 58.000 -0.436 0.000 0.890 161 F CB 0.820 39.601 39.000 -0.366 0.000 1.334 161 F HN 0.697 nan 8.300 nan 0.000 0.459 162 R N 1.138 121.428 120.500 -0.351 0.000 2.637 162 R HA 0.869 5.296 4.340 0.146 0.000 0.291 162 R C -1.561 174.420 176.300 -0.532 0.000 0.963 162 R CA -1.263 54.455 56.100 -0.636 0.000 0.901 162 R CB 2.555 32.116 30.300 -1.231 0.000 1.160 162 R HN 0.709 nan 8.270 nan 0.000 0.457 163 V N -1.252 118.526 119.914 -0.227 0.000 2.841 163 V HA 0.454 4.661 4.120 0.146 0.000 0.310 163 V C -0.677 175.604 176.094 0.313 0.000 1.090 163 V CA -1.009 61.365 62.300 0.123 0.000 0.930 163 V CB 1.966 33.944 31.823 0.258 0.000 1.014 163 V HN 0.820 nan 8.190 nan 0.000 0.425 164 E N 2.155 122.662 120.200 0.511 0.000 2.092 164 E HA 0.671 5.108 4.350 0.146 0.000 0.271 164 E C -1.661 175.262 176.600 0.538 0.000 0.919 164 E CA -0.420 56.300 56.400 0.534 0.000 0.760 164 E CB 2.108 32.147 29.700 0.564 0.000 1.106 164 E HN 0.728 nan 8.360 nan 0.000 0.408 165 V N 3.489 123.677 119.914 0.457 0.000 3.001 165 V HA 0.483 4.691 4.120 0.146 0.000 0.314 165 V C -0.433 175.885 176.094 0.374 0.000 1.099 165 V CA -0.478 62.021 62.300 0.331 0.000 0.989 165 V CB 2.327 34.286 31.823 0.227 0.000 1.040 165 V HN 0.842 nan 8.190 nan 0.000 0.434 166 S N 5.683 121.518 115.700 0.224 0.000 2.585 166 S HA 0.496 5.053 4.470 0.146 0.000 0.273 166 S C -2.532 172.161 174.600 0.154 0.000 1.339 166 S CA -0.907 57.449 58.200 0.260 0.000 1.028 166 S CB 0.933 64.205 63.200 0.120 0.000 0.906 166 S HN 0.774 nan 8.310 nan 0.000 0.528 167 P HA 0.241 nan 4.420 nan 0.000 0.269 167 P C 0.932 178.248 177.300 0.028 0.000 1.209 167 P CA 0.860 64.015 63.100 0.091 0.000 0.776 167 P CB 0.230 31.983 31.700 0.088 0.000 0.876 168 G N 1.001 109.786 108.800 -0.025 0.000 2.157 168 G HA2 -0.168 3.879 3.960 0.146 0.000 0.239 168 G HA3 -0.168 3.879 3.960 0.146 0.000 0.239 168 G C 0.065 174.849 174.900 -0.194 0.000 0.982 168 G CA 0.032 45.064 45.100 -0.114 0.000 0.650 168 G HN 0.678 nan 8.290 nan 0.000 0.527 169 T N 0.904 115.377 114.554 -0.135 0.000 2.799 169 T HA 0.547 4.984 4.350 0.146 0.000 0.286 169 T C -0.348 174.254 174.700 -0.163 0.000 0.973 169 T CA -0.170 61.871 62.100 -0.099 0.000 1.035 169 T CB 0.946 69.809 68.868 -0.009 0.000 0.932 169 T HN 0.207 nan 8.240 nan 0.000 0.469 170 Y N 2.993 123.289 120.300 -0.007 0.000 2.365 170 Y HA 0.226 4.874 4.550 0.162 0.000 0.340 170 Y C 1.399 177.272 175.900 -0.046 0.000 1.016 170 Y CA -1.090 57.001 58.100 -0.015 0.000 1.196 170 Y CB 0.360 38.839 38.460 0.032 0.000 1.167 170 Y HN 0.509 nan 8.280 nan 0.000 0.509 171 I N 2.161 122.714 120.570 -0.029 0.000 2.439 171 I HA -0.153 4.104 4.170 0.146 0.000 0.251 171 I C 2.059 178.187 176.117 0.019 0.000 1.139 171 I CA 1.127 62.361 61.300 -0.108 0.000 1.438 171 I CB -0.680 37.094 38.000 -0.376 0.000 1.085 171 I HN 0.718 nan 8.210 nan 0.000 0.427 172 R N 0.446 121.018 120.500 0.120 0.000 2.091 172 R HA -0.121 4.306 4.340 0.146 0.000 0.238 172 R C 2.518 178.925 176.300 0.178 0.000 1.136 172 R CA 1.694 57.888 56.100 0.157 0.000 0.959 172 R CB -0.392 30.039 30.300 0.217 0.000 0.856 172 R HN 0.234 nan 8.270 nan 0.000 0.437 173 S N 1.134 116.977 115.700 0.239 0.000 2.368 173 S HA -0.129 4.429 4.470 0.146 0.000 0.225 173 S C 1.801 176.475 174.600 0.123 0.000 1.030 173 S CA 1.025 59.374 58.200 0.248 0.000 0.999 173 S CB -0.249 63.103 63.200 0.254 0.000 0.844 173 S HN 0.168 nan 8.310 nan 0.000 0.459 174 L N 1.406 122.681 121.223 0.086 0.000 2.042 174 L HA -0.120 4.307 4.340 0.146 0.000 0.210 174 L C 2.239 178.970 176.870 -0.233 0.000 1.076 174 L CA 1.639 56.439 54.840 -0.067 0.000 0.749 174 L CB -0.993 41.058 42.059 -0.012 0.000 0.893 174 L HN 0.349 nan 8.230 nan 0.000 0.432 175 C N -1.280 117.943 119.300 -0.129 0.000 2.442 175 C HA -0.169 4.378 4.460 0.146 0.000 0.279 175 C C 2.685 177.548 174.990 -0.212 0.000 1.237 175 C CA 1.004 59.929 59.018 -0.154 0.000 1.722 175 C CB -0.787 26.879 27.740 -0.125 0.000 2.056 175 C HN 0.697 nan 8.230 nan 0.000 0.469 176 M N 1.787 121.223 119.600 -0.273 0.000 2.088 176 M HA -0.166 4.401 4.480 0.146 0.000 0.256 176 M C 1.567 177.790 176.300 -0.128 0.000 1.071 176 M CA 1.870 56.937 55.300 -0.389 0.000 1.097 176 M CB -1.055 31.000 32.600 -0.909 0.000 1.315 176 M HN 0.314 nan 8.290 nan 0.000 0.406 177 D N -0.245 120.097 120.400 -0.097 0.000 2.123 177 D HA -0.163 4.565 4.640 0.146 0.000 0.196 177 D C 2.116 178.420 176.300 0.007 0.000 0.992 177 D CA 1.783 55.786 54.000 0.005 0.000 0.833 177 D CB -0.449 40.307 40.800 -0.074 0.000 0.954 177 D HN 0.475 nan 8.370 nan 0.000 0.455 178 I N 0.786 121.168 120.570 -0.314 0.000 2.315 178 I HA -0.140 4.117 4.170 0.146 0.000 0.248 178 I C 2.523 178.634 176.117 -0.009 0.000 1.117 178 I CA 1.190 62.375 61.300 -0.192 0.000 1.404 178 I CB -0.412 37.384 38.000 -0.339 0.000 1.071 178 I HN 0.012 nan 8.210 nan 0.000 0.419 179 G N -0.052 108.735 108.800 -0.022 0.000 2.432 179 G HA2 -0.252 3.795 3.960 0.146 0.000 0.219 179 G HA3 -0.252 3.795 3.960 0.146 0.000 0.219 179 G C 1.400 176.313 174.900 0.023 0.000 1.135 179 G CA 0.603 45.689 45.100 -0.022 0.000 0.767 179 G HN 0.287 nan 8.290 nan 0.000 0.550 180 Y N 0.257 120.524 120.300 -0.054 0.000 2.420 180 Y HA 0.146 4.783 4.550 0.146 0.000 0.292 180 Y C 2.577 178.501 175.900 0.040 0.000 1.119 180 Y CA 0.844 58.952 58.100 0.013 0.000 1.229 180 Y CB -0.030 38.509 38.460 0.131 0.000 1.026 180 Y HN 0.143 nan 8.280 nan 0.000 0.554 181 K N 0.735 121.262 120.400 0.213 0.000 2.026 181 K HA -0.113 4.294 4.320 0.146 0.000 0.208 181 K C 1.713 178.351 176.600 0.063 0.000 1.048 181 K CA 1.417 57.789 56.287 0.142 0.000 0.929 181 K CB -0.526 32.089 32.500 0.192 0.000 0.713 181 K HN 0.280 nan 8.250 nan 0.000 0.439 182 L N -0.958 120.285 121.223 0.033 0.000 2.201 182 L HA 0.061 4.488 4.340 0.146 0.000 0.212 182 L C 1.077 177.922 176.870 -0.043 0.000 1.105 182 L CA 0.762 55.595 54.840 -0.012 0.000 0.775 182 L CB -0.342 41.698 42.059 -0.033 0.000 0.913 182 L HN 0.626 nan 8.230 nan 0.000 0.440 183 G N -0.232 108.524 108.800 -0.072 0.000 2.203 183 G HA2 -0.255 3.793 3.960 0.146 0.000 0.231 183 G HA3 -0.255 3.793 3.960 0.146 0.000 0.231 183 G C 0.321 175.102 174.900 -0.199 0.000 1.058 183 G CA -0.010 45.014 45.100 -0.127 0.000 0.781 183 G HN 0.517 nan 8.290 nan 0.000 0.496 184 c N -2.055 116.385 118.600 -0.267 0.000 3.897 184 c HA 0.684 5.341 4.570 0.146 0.000 0.304 184 c C 1.479 175.367 174.090 -0.337 0.000 2.314 184 c CA 0.379 56.548 56.329 -0.267 0.000 1.559 184 c CB -0.258 42.154 42.510 -0.164 0.000 3.163 184 c HN 2.519 nan 8.230 nan 0.000 0.476 185 G N 1.269 109.781 108.800 -0.481 0.000 2.901 185 G HA2 0.423 4.470 3.960 0.146 0.000 0.654 185 G HA3 0.423 4.470 3.960 0.146 0.000 0.654 185 G C -0.368 174.381 174.900 -0.253 0.000 1.550 185 G CA -0.101 44.742 45.100 -0.429 0.000 0.978 185 G HN 2.552 nan 8.290 nan 0.000 0.566 186 A N -0.037 122.637 122.820 -0.244 0.000 2.594 186 A HA 0.971 5.378 4.320 0.146 0.000 0.295 186 A C -0.192 177.240 177.584 -0.254 0.000 1.071 186 A CA 0.494 52.407 52.037 -0.207 0.000 0.685 186 A CB 1.972 20.876 19.000 -0.161 0.000 1.285 186 A HN 1.717 nan 8.150 nan 0.000 0.405 187 T N 0.942 115.384 114.554 -0.187 0.000 2.893 187 T HA 0.673 5.110 4.350 0.146 0.000 0.293 187 T C -0.054 174.572 174.700 -0.123 0.000 1.027 187 T CA 0.248 62.249 62.100 -0.166 0.000 0.988 187 T CB 1.668 70.456 68.868 -0.135 0.000 1.043 187 T HN 1.554 nan 8.240 nan 0.000 0.461 188 A N 1.943 124.702 122.820 -0.102 0.000 2.409 188 A HA 0.520 4.927 4.320 0.146 0.000 0.267 188 A C 0.882 178.445 177.584 -0.034 0.000 1.127 188 A CA -0.310 51.697 52.037 -0.049 0.000 0.795 188 A CB 0.090 19.121 19.000 0.051 0.000 1.061 188 A HN 0.734 nan 8.150 nan 0.000 0.502 189 V N 1.896 121.820 119.914 0.016 0.000 3.635 189 V HA 0.232 4.440 4.120 0.146 0.000 0.266 189 V C 0.552 176.749 176.094 0.172 0.000 1.316 189 V CA 0.973 63.304 62.300 0.053 0.000 1.060 189 V CB -0.328 31.502 31.823 0.011 0.000 0.820 189 V HN 0.917 nan 8.190 nan 0.000 0.447 190 E N 0.215 120.522 120.200 0.179 0.000 2.335 190 E HA 0.593 5.030 4.350 0.146 0.000 0.280 190 E C -2.199 174.470 176.600 0.115 0.000 0.918 190 E CA -0.529 55.988 56.400 0.196 0.000 0.765 190 E CB 2.507 32.332 29.700 0.209 0.000 1.218 190 E HN 0.066 nan 8.360 nan 0.000 0.425 191 L N 4.189 125.440 121.223 0.047 0.000 2.505 191 L HA 0.569 4.997 4.340 0.146 0.000 0.266 191 L C -2.027 174.864 176.870 0.034 0.000 0.954 191 L CA -0.617 54.206 54.840 -0.029 0.000 0.852 191 L CB 2.024 43.948 42.059 -0.225 0.000 1.282 191 L HN 0.390 nan 8.230 nan 0.000 0.403 192 V N 4.802 124.836 119.914 0.200 0.000 2.525 192 V HA 0.528 4.735 4.120 0.146 0.000 0.299 192 V C -0.196 176.018 176.094 0.199 0.000 1.034 192 V CA -0.686 61.727 62.300 0.189 0.000 0.863 192 V CB 1.868 33.819 31.823 0.214 0.000 0.999 192 V HN 0.719 nan 8.190 nan 0.000 0.423 193 R N 3.057 123.610 120.500 0.088 0.000 2.220 193 R HA 0.296 4.723 4.340 0.146 0.000 0.340 193 R C 0.888 177.155 176.300 -0.055 0.000 1.076 193 R CA -0.112 55.898 56.100 -0.151 0.000 0.920 193 R CB 0.566 30.683 30.300 -0.304 0.000 1.062 193 R HN 0.803 nan 8.270 nan 0.000 0.469 194 E N 1.440 121.627 120.200 -0.021 0.000 2.216 194 E HA -0.039 4.398 4.350 0.146 0.000 0.192 194 E C -0.114 176.505 176.600 0.031 0.000 0.988 194 E CA 0.693 57.118 56.400 0.041 0.000 0.834 194 E CB 0.307 30.060 29.700 0.088 0.000 0.772 194 E HN 0.661 nan 8.360 nan 0.000 0.479 195 S N -0.825 114.864 115.700 -0.019 0.000 2.552 195 S HA 0.449 5.006 4.470 0.146 0.000 0.272 195 S C -0.938 173.650 174.600 -0.019 0.000 1.150 195 S CA -1.048 57.160 58.200 0.013 0.000 0.849 195 S CB 2.146 65.374 63.200 0.046 0.000 1.113 195 S HN -0.097 nan 8.310 nan 0.000 0.458 196 V N 2.370 122.312 119.914 0.047 0.000 2.447 196 V HA 0.767 4.974 4.120 0.146 0.000 0.292 196 V C 1.172 177.316 176.094 0.083 0.000 1.021 196 V CA 0.530 62.870 62.300 0.067 0.000 0.850 196 V CB 0.373 32.271 31.823 0.125 0.000 1.005 196 V HN 1.908 nan 8.190 nan 0.000 0.426 197 G N 7.409 116.192 108.800 -0.027 0.000 2.574 197 G HA2 -0.208 3.839 3.960 0.146 0.000 0.286 197 G HA3 -0.208 3.839 3.960 0.146 0.000 0.286 197 G C -0.952 173.852 174.900 -0.161 0.000 1.212 197 G CA 0.439 45.437 45.100 -0.170 0.000 0.979 197 G HN 0.622 nan 8.290 nan 0.000 0.557 198 P HA 0.111 nan 4.420 nan 0.000 0.245 198 P C 0.039 177.215 177.300 -0.207 0.000 1.206 198 P CA 0.578 63.536 63.100 -0.237 0.000 0.781 198 P CB 0.036 31.576 31.700 -0.267 0.000 0.994 199 H N 1.345 120.462 119.070 0.079 0.000 2.864 199 H HA 0.199 4.813 4.556 0.096 0.000 0.281 199 H C 0.923 176.286 175.328 0.059 0.000 1.093 199 H CA 0.303 56.404 56.048 0.089 0.000 1.453 199 H CB 0.484 30.323 29.762 0.130 0.000 1.462 199 H HN 0.103 nan 8.280 nan 0.000 0.480 200 T N -0.503 114.141 114.554 0.151 0.000 2.934 200 T HA 0.240 4.677 4.350 0.146 0.000 0.283 200 T C 1.561 176.319 174.700 0.096 0.000 1.005 200 T CA -0.937 61.223 62.100 0.099 0.000 1.041 200 T CB 1.362 70.271 68.868 0.068 0.000 1.042 200 T HN 0.550 nan 8.240 nan 0.000 0.505 201 I N 0.390 121.009 120.570 0.082 0.000 2.394 201 I HA -0.109 4.149 4.170 0.146 0.000 0.251 201 I C 2.006 178.147 176.117 0.040 0.000 1.136 201 I CA 1.474 62.828 61.300 0.090 0.000 1.425 201 I CB -0.089 37.971 38.000 0.100 0.000 1.079 201 I HN 0.755 nan 8.210 nan 0.000 0.425 202 E N 0.627 120.841 120.200 0.023 0.000 2.204 202 E HA -0.268 4.169 4.350 0.146 0.000 0.195 202 E C 1.941 178.546 176.600 0.008 0.000 0.990 202 E CA 1.203 57.602 56.400 -0.003 0.000 0.821 202 E CB -0.193 29.509 29.700 0.003 0.000 0.750 202 E HN 0.568 nan 8.360 nan 0.000 0.477 203 E N 1.062 121.285 120.200 0.039 0.000 2.299 203 E HA -0.049 4.389 4.350 0.146 0.000 0.193 203 E C 0.364 176.992 176.600 0.046 0.000 0.998 203 E CA 0.260 56.691 56.400 0.051 0.000 0.851 203 E CB 0.196 29.951 29.700 0.092 0.000 0.795 203 E HN 0.238 nan 8.360 nan 0.000 0.492 204 S N 0.319 116.053 115.700 0.057 0.000 2.587 204 S HA 0.181 4.738 4.470 0.146 0.000 0.260 204 S C -0.121 174.507 174.600 0.047 0.000 1.353 204 S CA -0.662 57.581 58.200 0.071 0.000 0.995 204 S CB 1.188 64.477 63.200 0.149 0.000 0.912 204 S HN 0.239 nan 8.310 nan 0.000 0.568 205 L N 1.019 122.281 121.223 0.065 0.000 2.401 205 L HA 0.525 4.953 4.340 0.146 0.000 0.266 205 L C -0.748 176.179 176.870 0.095 0.000 0.991 205 L CA -0.535 54.331 54.840 0.044 0.000 0.818 205 L CB 1.987 44.050 42.059 0.007 0.000 1.321 205 L HN 0.859 nan 8.230 nan 0.000 0.413 206 N N 3.495 122.257 118.700 0.104 0.000 2.602 206 N HA 0.073 4.900 4.740 0.146 0.000 0.238 206 N C 1.170 176.719 175.510 0.064 0.000 1.084 206 N CA 0.304 53.461 53.050 0.179 0.000 0.952 206 N CB 1.020 39.647 38.487 0.233 0.000 1.244 206 N HN 0.722 nan 8.380 nan 0.000 0.512 207 V N 1.999 121.866 119.914 -0.078 0.000 2.453 207 V HA -0.226 3.982 4.120 0.146 0.000 0.252 207 V C 1.620 177.595 176.094 -0.198 0.000 1.068 207 V CA 1.299 63.482 62.300 -0.195 0.000 1.070 207 V CB -1.195 30.429 31.823 -0.332 0.000 0.664 207 V HN 0.321 nan 8.190 nan 0.000 0.461 208 F N 1.614 121.583 119.950 0.031 0.000 2.134 208 F HA -0.019 4.594 4.527 0.144 0.000 0.299 208 F C 2.528 178.342 175.800 0.023 0.000 1.097 208 F CA 2.007 60.022 58.000 0.025 0.000 1.264 208 F CB -0.501 38.518 39.000 0.032 0.000 1.001 208 F HN 0.256 nan 8.300 nan 0.000 0.479 209 E N -0.291 120.031 120.200 0.204 0.000 2.463 209 E HA 0.330 4.768 4.350 0.146 0.000 0.193 209 E C 0.217 176.853 176.600 0.061 0.000 1.041 209 E CA -0.135 56.336 56.400 0.118 0.000 0.879 209 E CB 0.221 29.985 29.700 0.107 0.000 0.997 209 E HN 0.196 nan 8.360 nan 0.000 0.478 210 A N 1.310 124.152 122.820 0.037 0.000 2.312 210 A HA 0.692 5.099 4.320 0.146 0.000 0.326 210 A C -0.037 177.546 177.584 -0.001 0.000 1.172 210 A CA -0.537 51.505 52.037 0.008 0.000 0.821 210 A CB 0.900 19.894 19.000 -0.010 0.000 1.166 210 A HN 0.188 nan 8.150 nan 0.000 0.493 211 A N 3.230 126.049 122.820 -0.003 0.000 2.371 211 A HA 0.593 5.001 4.320 0.146 0.000 0.257 211 A C -1.505 176.070 177.584 -0.016 0.000 1.089 211 A CA -1.339 50.694 52.037 -0.005 0.000 0.794 211 A CB -0.180 18.818 19.000 -0.003 0.000 1.029 211 A HN 0.575 nan 8.150 nan 0.000 0.488 212 P HA -0.236 nan 4.420 nan 0.000 0.217 212 P C 0.844 178.128 177.300 -0.027 0.000 1.158 212 P CA 2.011 65.095 63.100 -0.026 0.000 0.887 212 P CB 0.142 31.829 31.700 -0.022 0.000 0.792 213 E N -0.551 119.636 120.200 -0.021 0.000 2.085 213 E HA -0.231 4.206 4.350 0.146 0.000 0.194 213 E C 1.995 178.582 176.600 -0.022 0.000 0.994 213 E CA 1.409 57.797 56.400 -0.020 0.000 0.801 213 E CB -0.841 28.850 29.700 -0.015 0.000 0.743 213 E HN 0.360 nan 8.360 nan 0.000 0.453 214 E N 1.052 121.240 120.200 -0.020 0.000 2.033 214 E HA -0.203 4.234 4.350 0.146 0.000 0.199 214 E C 1.879 178.463 176.600 -0.028 0.000 1.011 214 E CA 1.563 57.951 56.400 -0.020 0.000 0.815 214 E CB -0.381 29.310 29.700 -0.015 0.000 0.755 214 E HN 0.318 nan 8.360 nan 0.000 0.451 215 I N 0.664 121.213 120.570 -0.035 0.000 2.127 215 I HA -0.301 3.957 4.170 0.146 0.000 0.241 215 I C 2.755 178.841 176.117 -0.050 0.000 1.075 215 I CA 1.967 63.238 61.300 -0.048 0.000 1.334 215 I CB -0.605 37.358 38.000 -0.061 0.000 1.040 215 I HN 0.362 nan 8.210 nan 0.000 0.405 216 E N 1.534 121.705 120.200 -0.048 0.000 2.023 216 E HA -0.318 4.120 4.350 0.146 0.000 0.196 216 E C 1.790 178.365 176.600 -0.043 0.000 1.003 216 E CA 1.969 58.339 56.400 -0.050 0.000 0.809 216 E CB -0.207 29.465 29.700 -0.046 0.000 0.755 216 E HN 0.344 nan 8.360 nan 0.000 0.449 217 N N -0.427 118.254 118.700 -0.033 0.000 2.635 217 N HA -0.123 4.704 4.740 0.146 0.000 0.191 217 N C 1.142 176.637 175.510 -0.024 0.000 1.155 217 N CA 0.458 53.493 53.050 -0.025 0.000 0.927 217 N CB 0.076 38.551 38.487 -0.019 0.000 0.976 217 N HN -0.006 nan 8.380 nan 0.000 0.448 218 R N -0.341 120.140 120.500 -0.031 0.000 2.476 218 R HA 0.367 4.794 4.340 0.146 0.000 0.276 218 R C -0.534 175.742 176.300 -0.039 0.000 0.941 218 R CA -0.149 55.934 56.100 -0.029 0.000 1.088 218 R CB 0.194 30.477 30.300 -0.029 0.000 1.216 218 R HN 0.131 nan 8.270 nan 0.000 0.533 219 I N 1.506 122.047 120.570 -0.048 0.000 2.575 219 I HA 0.146 4.403 4.170 0.146 0.000 0.285 219 I C 0.224 176.314 176.117 -0.046 0.000 1.085 219 I CA -0.310 60.953 61.300 -0.061 0.000 1.403 219 I CB 1.051 39.008 38.000 -0.071 0.000 1.409 219 I HN -0.066 nan 8.210 nan 0.000 0.557 220 I N 8.167 128.705 120.570 -0.053 0.000 2.322 220 I HA 0.188 4.445 4.170 0.146 0.000 0.292 220 I C -1.881 174.216 176.117 -0.033 0.000 1.060 220 I CA -1.793 59.492 61.300 -0.024 0.000 1.309 220 I CB 0.426 38.425 38.000 -0.002 0.000 1.415 220 I HN 0.300 nan 8.210 nan 0.000 0.492 221 P HA 0.024 nan 4.420 nan 0.000 0.269 221 P C 0.990 178.253 177.300 -0.062 0.000 1.215 221 P CA -0.165 62.915 63.100 -0.033 0.000 0.780 221 P CB 1.239 32.930 31.700 -0.014 0.000 0.898 222 L N 1.245 122.392 121.223 -0.127 0.000 2.051 222 L HA -0.270 4.158 4.340 0.146 0.000 0.214 222 L C 2.283 179.036 176.870 -0.194 0.000 1.076 222 L CA 1.916 56.603 54.840 -0.255 0.000 0.758 222 L CB -0.796 40.969 42.059 -0.489 0.000 0.890 222 L HN 0.374 nan 8.230 nan 0.000 0.433 223 E N -0.178 119.968 120.200 -0.090 0.000 2.267 223 E HA -0.187 4.250 4.350 0.146 0.000 0.197 223 E C 1.754 178.440 176.600 0.143 0.000 0.998 223 E CA 0.985 57.441 56.400 0.094 0.000 0.830 223 E CB -0.004 29.781 29.700 0.141 0.000 0.751 223 E HN 0.326 nan 8.360 nan 0.000 0.491 224 K N -0.802 119.627 120.400 0.048 0.000 2.355 224 K HA 0.186 4.593 4.320 0.146 0.000 0.198 224 K C 0.201 176.831 176.600 0.052 0.000 1.039 224 K CA -0.016 56.305 56.287 0.056 0.000 1.075 224 K CB 0.422 32.954 32.500 0.052 0.000 0.870 224 K HN 0.101 nan 8.250 nan 0.000 0.540 225 C N 1.085 120.388 119.300 0.006 0.000 2.500 225 C HA 0.288 4.836 4.460 0.146 0.000 0.367 225 C C 1.464 176.346 174.990 -0.179 0.000 1.283 225 C CA -0.609 58.423 59.018 0.023 0.000 2.456 225 C CB -0.419 27.336 27.740 0.024 0.000 2.457 225 C HN 0.556 nan 8.230 nan 0.000 0.632 226 L N 0.948 121.937 121.223 -0.390 0.000 3.597 226 L HA -0.206 4.222 4.340 0.146 0.000 0.440 226 L C 1.407 177.718 176.870 -0.931 0.000 1.277 226 L CA 0.088 54.198 54.840 -1.216 0.000 0.852 226 L CB -1.361 40.113 42.059 -0.975 0.000 1.708 226 L HN 0.813 nan 8.230 nan 0.000 0.885 227 E N 0.737 120.685 120.200 -0.419 0.000 2.147 227 E HA -0.181 4.256 4.350 0.146 0.000 0.199 227 E C 1.095 177.693 176.600 -0.004 0.000 1.005 227 E CA 2.362 58.728 56.400 -0.056 0.000 0.810 227 E CB 0.025 29.821 29.700 0.161 0.000 0.736 227 E HN 0.662 nan 8.360 nan 0.000 0.460 228 W N -0.729 120.561 121.300 -0.017 0.000 1.671 228 W HA 0.428 5.184 4.660 0.160 0.000 0.407 228 W C -0.175 176.347 176.519 0.006 0.000 1.867 228 W CA -1.011 56.329 57.345 -0.008 0.000 2.059 228 W CB -0.141 29.306 29.460 -0.021 0.000 1.469 228 W HN -0.123 nan 8.180 nan 0.000 0.776 229 L N -0.503 120.780 121.223 0.100 0.000 1.935 229 L HA -0.175 4.252 4.340 0.146 0.000 0.474 229 L C -2.252 174.621 176.870 0.005 0.000 1.002 229 L CA -0.768 54.059 54.840 -0.020 0.000 1.232 229 L CB -1.105 40.787 42.059 -0.278 0.000 1.316 229 L HN 0.313 nan 8.230 nan 0.000 0.686 230 P HA 0.114 nan 4.420 nan 0.000 0.266 230 P C -0.967 176.363 177.300 0.050 0.000 1.193 230 P CA 0.028 63.187 63.100 0.097 0.000 0.770 230 P CB 0.454 32.263 31.700 0.182 0.000 0.836 231 R N 1.141 121.696 120.500 0.091 0.000 2.534 231 R HA 0.701 5.129 4.340 0.146 0.000 0.301 231 R C -1.071 175.295 176.300 0.110 0.000 0.961 231 R CA -1.106 55.069 56.100 0.125 0.000 0.871 231 R CB 1.226 31.611 30.300 0.142 0.000 1.170 231 R HN 0.278 nan 8.270 nan 0.000 0.446 232 V N 0.159 120.118 119.914 0.075 0.000 2.769 232 V HA 0.755 4.962 4.120 0.146 0.000 0.312 232 V C -0.343 175.779 176.094 0.047 0.000 1.061 232 V CA -0.887 61.427 62.300 0.023 0.000 0.931 232 V CB 1.716 33.463 31.823 -0.126 0.000 1.010 232 V HN 0.675 nan 8.190 nan 0.000 0.433 233 V N 5.645 125.566 119.914 0.011 0.000 2.495 233 V HA 0.873 5.080 4.120 0.146 0.000 0.298 233 V C -0.168 175.874 176.094 -0.088 0.000 1.031 233 V CA 0.009 62.319 62.300 0.015 0.000 0.871 233 V CB 1.745 33.581 31.823 0.022 0.000 0.988 233 V HN 1.766 nan 8.190 nan 0.000 0.432 234 V N 4.060 123.928 119.914 -0.076 0.000 2.713 234 V HA 0.625 4.832 4.120 0.146 0.000 0.307 234 V C 0.349 176.374 176.094 -0.116 0.000 1.052 234 V CA -0.715 61.508 62.300 -0.129 0.000 0.967 234 V CB 1.282 33.073 31.823 -0.054 0.000 1.019 234 V HN 0.981 nan 8.190 nan 0.000 0.459 235 H N 2.929 122.008 119.070 0.015 0.000 3.064 235 H HA 0.021 4.665 4.556 0.147 0.000 0.329 235 H C 1.038 176.376 175.328 0.016 0.000 1.020 235 H CA 0.538 56.598 56.048 0.020 0.000 1.402 235 H CB 0.908 30.680 29.762 0.018 0.000 1.379 235 H HN 0.785 nan 8.280 nan 0.000 0.594 236 Q N 2.787 122.664 119.800 0.128 0.000 2.082 236 Q HA -0.252 4.175 4.340 0.146 0.000 0.211 236 Q C 1.945 177.984 176.000 0.065 0.000 1.002 236 Q CA 1.779 57.628 55.803 0.077 0.000 0.868 236 Q CB -0.351 28.426 28.738 0.064 0.000 0.931 236 Q HN 0.779 nan 8.270 nan 0.000 0.414 237 E N -0.415 119.829 120.200 0.073 0.000 2.253 237 E HA -0.164 4.273 4.350 0.146 0.000 0.202 237 E C 1.097 177.717 176.600 0.034 0.000 1.014 237 E CA 1.252 57.678 56.400 0.043 0.000 0.823 237 E CB 0.046 29.764 29.700 0.029 0.000 0.736 237 E HN 0.129 nan 8.360 nan 0.000 0.478 238 S N -0.434 115.296 115.700 0.051 0.000 2.631 238 S HA 0.015 4.572 4.470 0.146 0.000 0.217 238 S C 1.325 175.932 174.600 0.011 0.000 0.958 238 S CA 0.292 58.509 58.200 0.028 0.000 0.920 238 S CB 0.247 63.471 63.200 0.040 0.000 0.776 238 S HN 0.290 nan 8.310 nan 0.000 0.517 239 T N 2.349 116.912 114.554 0.015 0.000 2.674 239 T HA -0.144 4.294 4.350 0.146 0.000 0.265 239 T C 1.864 176.560 174.700 -0.007 0.000 1.039 239 T CA 1.412 63.515 62.100 0.004 0.000 1.150 239 T CB -0.148 68.726 68.868 0.011 0.000 0.864 239 T HN 0.439 nan 8.240 nan 0.000 0.427 240 K N 1.173 121.570 120.400 -0.005 0.000 2.009 240 K HA -0.132 4.276 4.320 0.146 0.000 0.210 240 K C 2.485 179.074 176.600 -0.018 0.000 1.049 240 K CA 1.788 58.068 56.287 -0.011 0.000 0.929 240 K CB -0.313 32.182 32.500 -0.009 0.000 0.714 240 K HN 0.488 nan 8.250 nan 0.000 0.440 241 M N -0.411 119.178 119.600 -0.019 0.000 2.267 241 M HA -0.108 4.459 4.480 0.146 0.000 0.263 241 M C 1.719 178.000 176.300 -0.032 0.000 1.063 241 M CA 1.621 56.905 55.300 -0.027 0.000 1.090 241 M CB -0.388 32.194 32.600 -0.031 0.000 1.392 241 M HN 0.109 nan 8.290 nan 0.000 0.422 242 I N 0.408 120.960 120.570 -0.031 0.000 2.286 242 I HA -0.189 4.069 4.170 0.146 0.000 0.245 242 I C 2.138 178.225 176.117 -0.050 0.000 1.104 242 I CA 0.598 61.874 61.300 -0.040 0.000 1.397 242 I CB -0.349 37.628 38.000 -0.039 0.000 1.072 242 I HN 0.280 nan 8.210 nan 0.000 0.417 243 L N 0.649 121.847 121.223 -0.042 0.000 2.187 243 L HA -0.164 4.263 4.340 0.146 0.000 0.213 243 L C 1.505 178.346 176.870 -0.048 0.000 1.100 243 L CA 1.551 56.363 54.840 -0.045 0.000 0.765 243 L CB -1.306 40.734 42.059 -0.031 0.000 0.904 243 L HN 0.311 nan 8.230 nan 0.000 0.437 244 N N -1.157 117.518 118.700 -0.041 0.000 2.577 244 N HA 0.196 5.023 4.740 0.146 0.000 0.296 244 N C 0.906 176.389 175.510 -0.046 0.000 1.357 244 N CA 0.398 53.424 53.050 -0.040 0.000 0.896 244 N CB -0.739 37.730 38.487 -0.031 0.000 1.102 244 N HN 0.089 nan 8.380 nan 0.000 0.506 245 G N -0.286 108.491 108.800 -0.039 0.000 2.751 245 G HA2 0.123 4.171 3.960 0.146 0.000 0.142 245 G HA3 0.123 4.171 3.960 0.146 0.000 0.142 245 G C -0.342 174.536 174.900 -0.037 0.000 1.783 245 G CA 0.856 45.932 45.100 -0.039 0.000 1.018 245 G HN 0.723 nan 8.290 nan 0.000 0.474 246 S N -1.559 114.123 115.700 -0.029 0.000 3.024 246 S HA -0.117 4.440 4.470 0.146 0.000 0.819 246 S C 0.013 174.606 174.600 -0.012 0.000 0.863 246 S CA 0.315 58.498 58.200 -0.028 0.000 1.423 246 S CB -0.764 62.412 63.200 -0.041 0.000 1.032 246 S HN 0.678 nan 8.310 nan 0.000 0.510 247 Q N 3.180 122.996 119.800 0.026 0.000 2.396 247 Q HA 0.513 4.941 4.340 0.146 0.000 0.221 247 Q C 0.772 176.844 176.000 0.120 0.000 1.025 247 Q CA -0.146 55.697 55.803 0.067 0.000 0.946 247 Q CB 0.494 29.300 28.738 0.113 0.000 1.224 247 Q HN 0.776 nan 8.270 nan 0.000 0.539 248 I N 1.793 122.427 120.570 0.107 0.000 2.315 248 I HA 0.186 4.443 4.170 0.146 0.000 0.291 248 I C 0.537 176.776 176.117 0.204 0.000 1.006 248 I CA -0.166 61.198 61.300 0.106 0.000 1.265 248 I CB 0.462 38.458 38.000 -0.006 0.000 1.387 248 I HN 0.303 nan 8.210 nan 0.000 0.475 249 H N 4.852 123.911 119.070 -0.018 0.000 2.559 249 H HA 0.287 4.931 4.556 0.145 0.000 0.343 249 H C 0.882 176.208 175.328 -0.003 0.000 1.209 249 H CA -1.031 55.017 56.048 0.000 0.000 1.287 249 H CB 2.555 32.326 29.762 0.014 0.000 1.650 249 H HN 0.563 nan 8.280 nan 0.000 0.567 250 L N 0.738 122.033 121.223 0.121 0.000 1.978 250 L HA -0.252 4.175 4.340 0.146 0.000 0.218 250 L C 1.721 178.645 176.870 0.090 0.000 1.075 250 L CA 1.818 56.705 54.840 0.077 0.000 0.767 250 L CB -0.342 41.777 42.059 0.100 0.000 0.890 250 L HN 0.736 nan 8.230 nan 0.000 0.434 251 E N -0.836 119.438 120.200 0.123 0.000 2.401 251 E HA -0.232 4.205 4.350 0.146 0.000 0.199 251 E C 1.969 178.660 176.600 0.152 0.000 1.023 251 E CA 0.889 57.365 56.400 0.126 0.000 0.859 251 E CB -0.048 29.709 29.700 0.095 0.000 0.780 251 E HN 0.600 nan 8.360 nan 0.000 0.523 252 M N 0.196 119.871 119.600 0.125 0.000 2.476 252 M HA 0.059 4.627 4.480 0.146 0.000 0.262 252 M C 0.568 176.919 176.300 0.084 0.000 1.111 252 M CA 0.324 55.707 55.300 0.139 0.000 1.127 252 M CB 0.366 33.009 32.600 0.071 0.000 1.376 252 M HN 0.006 nan 8.290 nan 0.000 0.465 253 L N 0.263 121.463 121.223 -0.038 0.000 2.436 253 L HA 0.081 4.509 4.340 0.146 0.000 0.265 253 L C 1.152 177.862 176.870 -0.267 0.000 1.168 253 L CA 0.312 55.014 54.840 -0.231 0.000 0.815 253 L CB 0.614 42.403 42.059 -0.450 0.000 1.109 253 L HN 0.098 nan 8.230 nan 0.000 0.462 254 K N 0.304 120.506 120.400 -0.330 0.000 2.550 254 K HA 0.264 4.671 4.320 0.146 0.000 0.205 254 K C -0.255 176.419 176.600 0.123 0.000 1.429 254 K CA 0.033 56.178 56.287 -0.235 0.000 0.997 254 K CB 0.888 33.031 32.500 -0.595 0.000 1.328 254 K HN 0.604 nan 8.250 nan 0.000 0.546 255 E N 0.114 120.371 120.200 0.095 0.000 2.291 255 E HA 0.214 4.651 4.350 0.146 0.000 0.276 255 E C -1.223 175.589 176.600 0.354 0.000 0.896 255 E CA -0.754 55.857 56.400 0.352 0.000 0.774 255 E CB 1.239 31.044 29.700 0.175 0.000 1.227 255 E HN 0.113 nan 8.360 nan 0.000 0.413 256 W N 1.385 122.738 121.300 0.088 0.000 1.807 256 W HA 0.254 5.001 4.660 0.145 0.000 0.493 256 W C 0.564 177.173 176.519 0.151 0.000 2.080 256 W CA 0.034 57.486 57.345 0.177 0.000 2.345 256 W CB 0.484 30.019 29.460 0.124 0.000 1.717 256 W HN 0.606 nan 8.180 nan 0.000 0.777 257 D N -2.327 118.380 120.400 0.512 0.000 2.599 257 D HA 0.164 4.891 4.640 0.146 0.000 0.472 257 D C -0.384 176.096 176.300 0.300 0.000 1.161 257 D CA 0.829 55.016 54.000 0.311 0.000 1.048 257 D CB 0.009 40.955 40.800 0.244 0.000 1.602 257 D HN 0.599 nan 8.370 nan 0.000 0.380 258 G N 1.227 110.230 108.800 0.338 0.000 3.396 258 G HA2 0.175 4.222 3.960 0.146 0.000 0.682 258 G HA3 0.175 4.222 3.960 0.146 0.000 0.682 258 G C -0.373 174.675 174.900 0.246 0.000 0.924 258 G CA -0.079 45.097 45.100 0.128 0.000 0.770 258 G HN 0.556 nan 8.290 nan 0.000 0.484 259 F N -0.110 119.920 119.950 0.133 0.000 2.693 259 F HA 0.859 5.474 4.527 0.146 0.000 0.309 259 F C -0.343 175.512 175.800 0.092 0.000 1.129 259 F CA -1.744 56.315 58.000 0.099 0.000 0.948 259 F CB 0.988 40.038 39.000 0.083 0.000 1.315 259 F HN 0.416 nan 8.300 nan 0.000 0.447 260 K N 1.202 121.765 120.400 0.272 0.000 2.399 260 K HA 0.384 4.792 4.320 0.146 0.000 0.247 260 K C 0.778 177.514 176.600 0.228 0.000 1.036 260 K CA -0.649 55.742 56.287 0.173 0.000 0.977 260 K CB 0.820 33.393 32.500 0.123 0.000 1.272 260 K HN 0.680 nan 8.250 nan 0.000 0.501 261 K N 0.370 120.853 120.400 0.137 0.000 1.992 261 K HA -0.112 4.295 4.320 0.146 0.000 0.225 261 K C 1.847 178.511 176.600 0.107 0.000 1.020 261 K CA 1.791 58.148 56.287 0.116 0.000 1.042 261 K CB -1.047 31.486 32.500 0.055 0.000 0.772 261 K HN 0.845 nan 8.250 nan 0.000 0.444 262 G N 1.733 110.574 108.800 0.069 0.000 2.591 262 G HA2 -0.247 3.801 3.960 0.146 0.000 0.218 262 G HA3 -0.247 3.801 3.960 0.146 0.000 0.218 262 G C 0.654 175.593 174.900 0.065 0.000 1.113 262 G CA 0.441 45.574 45.100 0.055 0.000 0.740 262 G HN 0.537 nan 8.290 nan 0.000 0.569 263 E N -0.409 119.847 120.200 0.094 0.000 2.459 263 E HA 0.197 4.635 4.350 0.146 0.000 0.264 263 E C -0.459 176.174 176.600 0.056 0.000 1.055 263 E CA -0.323 56.137 56.400 0.100 0.000 0.957 263 E CB 0.592 30.383 29.700 0.152 0.000 0.952 263 E HN -0.051 nan 8.360 nan 0.000 0.448 264 V N 4.786 124.740 119.914 0.068 0.000 2.435 264 V HA 0.358 4.565 4.120 0.146 0.000 0.290 264 V C -0.182 175.891 176.094 -0.034 0.000 1.030 264 V CA -0.473 61.848 62.300 0.035 0.000 0.881 264 V CB 1.214 33.127 31.823 0.151 0.000 0.983 264 V HN 0.555 nan 8.190 nan 0.000 0.445 265 V N 3.034 122.870 119.914 -0.129 0.000 2.914 265 V HA 0.693 4.900 4.120 0.146 0.000 0.314 265 V C -0.382 175.614 176.094 -0.163 0.000 1.084 265 V CA -1.262 60.935 62.300 -0.172 0.000 0.963 265 V CB 2.049 33.674 31.823 -0.330 0.000 1.025 265 V HN 0.798 nan 8.190 nan 0.000 0.432 266 R N 1.795 122.219 120.500 -0.127 0.000 2.265 266 R HA 0.618 5.046 4.340 0.146 0.000 0.314 266 R C -1.027 175.202 176.300 -0.119 0.000 1.053 266 R CA -0.546 55.464 56.100 -0.149 0.000 0.931 266 R CB 1.643 31.896 30.300 -0.077 0.000 1.024 266 R HN 0.670 nan 8.270 nan 0.000 0.457 267 V N 5.619 125.404 119.914 -0.215 0.000 2.304 267 V HA 0.252 4.459 4.120 0.146 0.000 0.269 267 V C -0.282 175.683 176.094 -0.214 0.000 1.036 267 V CA -0.282 61.928 62.300 -0.151 0.000 0.840 267 V CB -0.242 31.498 31.823 -0.139 0.000 1.036 267 V HN 0.526 nan 8.190 nan 0.000 0.466 268 F N 3.681 123.594 119.950 -0.063 0.000 2.457 268 F HA 0.577 5.190 4.527 0.142 0.000 0.330 268 F C 0.717 176.489 175.800 -0.047 0.000 1.069 268 F CA -0.582 57.389 58.000 -0.049 0.000 1.009 268 F CB 1.320 40.291 39.000 -0.048 0.000 1.276 268 F HN 0.589 nan 8.300 nan 0.000 0.492 269 N N -0.625 118.185 118.700 0.184 0.000 2.592 269 N HA 0.223 5.051 4.740 0.146 0.000 0.292 269 N C 0.003 175.565 175.510 0.087 0.000 1.260 269 N CA -0.712 52.392 53.050 0.091 0.000 0.910 269 N CB 0.286 38.808 38.487 0.058 0.000 1.257 269 N HN 0.613 nan 8.380 nan 0.000 0.569 270 E N -0.404 119.828 120.200 0.052 0.000 2.204 270 E HA -0.124 4.314 4.350 0.146 0.000 0.194 270 E C 0.478 177.101 176.600 0.038 0.000 0.989 270 E CA 0.942 57.365 56.400 0.038 0.000 0.824 270 E CB -0.081 29.645 29.700 0.043 0.000 0.756 270 E HN 0.656 nan 8.360 nan 0.000 0.477 271 E N -0.293 119.936 120.200 0.048 0.000 2.482 271 E HA -0.009 4.428 4.350 0.146 0.000 0.196 271 E C 1.007 177.637 176.600 0.051 0.000 1.047 271 E CA 0.343 56.767 56.400 0.041 0.000 0.869 271 E CB 0.300 30.023 29.700 0.038 0.000 0.836 271 E HN 0.379 nan 8.360 nan 0.000 0.520 272 G N 2.296 111.147 108.800 0.084 0.000 2.144 272 G HA2 -0.307 3.740 3.960 0.146 0.000 0.218 272 G HA3 -0.307 3.740 3.960 0.146 0.000 0.218 272 G C 0.215 175.271 174.900 0.259 0.000 0.988 272 G CA 0.116 45.286 45.100 0.116 0.000 0.659 272 G HN 0.260 nan 8.290 nan 0.000 0.522 273 R N 0.016 120.636 120.500 0.201 0.000 2.357 273 R HA 0.632 5.060 4.340 0.146 0.000 0.296 273 R C 0.001 176.316 176.300 0.025 0.000 1.052 273 R CA -0.854 55.316 56.100 0.116 0.000 0.988 273 R CB 0.528 30.852 30.300 0.040 0.000 1.025 273 R HN 0.289 nan 8.270 nan 0.000 0.469 274 L N 5.623 126.729 121.223 -0.195 0.000 2.325 274 L HA 0.142 4.569 4.340 0.146 0.000 0.284 274 L C -0.043 176.698 176.870 -0.215 0.000 1.089 274 L CA 0.088 54.592 54.840 -0.559 0.000 0.836 274 L CB 0.957 42.613 42.059 -0.672 0.000 1.184 274 L HN 0.836 nan 8.230 nan 0.000 0.444 275 L N 5.139 126.262 121.223 -0.166 0.000 2.168 275 L HA 0.509 4.936 4.340 0.146 0.000 0.203 275 L C 0.873 177.751 176.870 0.014 0.000 1.078 275 L CA 1.284 56.099 54.840 -0.041 0.000 0.780 275 L CB -0.728 41.293 42.059 -0.063 0.000 0.939 275 L HN 0.819 nan 8.230 nan 0.000 0.451 276 A N -1.881 120.919 122.820 -0.033 0.000 2.483 276 A HA 0.612 5.020 4.320 0.146 0.000 0.294 276 A C -1.874 175.635 177.584 -0.126 0.000 1.077 276 A CA -0.575 51.377 52.037 -0.143 0.000 0.633 276 A CB 0.523 19.398 19.000 -0.209 0.000 1.318 276 A HN -0.106 nan 8.150 nan 0.000 0.455 277 L N -0.020 121.087 121.223 -0.193 0.000 2.362 277 L HA 0.797 5.224 4.340 0.146 0.000 0.275 277 L C 0.185 176.981 176.870 -0.124 0.000 0.998 277 L CA -0.509 54.252 54.840 -0.132 0.000 0.820 277 L CB 1.804 43.808 42.059 -0.091 0.000 1.270 277 L HN 1.138 nan 8.230 nan 0.000 0.415 278 A N 2.573 125.325 122.820 -0.114 0.000 2.527 278 A HA 0.656 5.064 4.320 0.146 0.000 0.293 278 A C -1.345 176.184 177.584 -0.093 0.000 1.117 278 A CA -0.567 51.408 52.037 -0.102 0.000 0.723 278 A CB 2.120 21.047 19.000 -0.122 0.000 1.313 278 A HN 0.695 nan 8.150 nan 0.000 0.411 279 E N 0.791 120.950 120.200 -0.069 0.000 2.179 279 E HA 0.593 5.031 4.350 0.146 0.000 0.275 279 E C -0.169 176.395 176.600 -0.061 0.000 0.945 279 E CA -0.732 55.639 56.400 -0.047 0.000 0.792 279 E CB 1.509 31.201 29.700 -0.014 0.000 1.125 279 E HN 0.906 nan 8.360 nan 0.000 0.397 280 A N 4.002 126.792 122.820 -0.050 0.000 2.451 280 A HA 0.075 4.482 4.320 0.146 0.000 0.266 280 A C 0.577 178.199 177.584 0.064 0.000 1.119 280 A CA -0.138 51.905 52.037 0.009 0.000 0.786 280 A CB 0.532 19.626 19.000 0.156 0.000 1.061 280 A HN 0.849 nan 8.150 nan 0.000 0.503 281 E N 1.008 121.241 120.200 0.055 0.000 2.318 281 E HA 0.086 4.523 4.350 0.146 0.000 0.193 281 E C 0.835 177.471 176.600 0.060 0.000 0.998 281 E CA 0.753 57.175 56.400 0.037 0.000 0.859 281 E CB 0.163 29.867 29.700 0.007 0.000 0.812 281 E HN 0.659 nan 8.360 nan 0.000 0.492 282 R N -0.950 119.629 120.500 0.131 0.000 3.029 282 R HA 0.391 4.819 4.340 0.146 0.000 0.239 282 R C 0.568 176.979 176.300 0.184 0.000 1.351 282 R CA -0.644 55.541 56.100 0.140 0.000 1.052 282 R CB 0.264 30.701 30.300 0.229 0.000 1.354 282 R HN -0.090 nan 8.270 nan 0.000 0.499 283 N N -0.873 117.907 118.700 0.134 0.000 2.141 283 N HA -0.020 4.807 4.740 0.146 0.000 0.187 283 N C 0.367 175.844 175.510 -0.054 0.000 1.068 283 N CA 1.784 54.884 53.050 0.083 0.000 0.906 283 N CB 0.026 38.550 38.487 0.062 0.000 1.069 283 N HN 0.426 nan 8.380 nan 0.000 0.461 284 S N -2.567 113.077 115.700 -0.094 0.000 2.338 284 S HA -0.039 4.518 4.470 0.146 0.000 0.144 284 S C 1.342 175.929 174.600 -0.022 0.000 0.669 284 S CA 0.690 58.688 58.200 -0.337 0.000 1.465 284 S CB -1.331 61.387 63.200 -0.804 0.000 0.950 284 S HN 0.376 nan 8.310 nan 0.000 0.294 285 S N 0.821 116.516 115.700 -0.008 0.000 2.428 285 S HA 0.118 4.675 4.470 0.146 0.000 0.230 285 S C 1.336 175.998 174.600 0.102 0.000 1.014 285 S CA 0.875 59.087 58.200 0.019 0.000 0.957 285 S CB -0.684 62.529 63.200 0.022 0.000 0.784 285 S HN 0.528 nan 8.310 nan 0.000 0.499 286 F N 1.673 121.628 119.950 0.009 0.000 2.661 286 F HA 0.321 4.935 4.527 0.145 0.000 0.298 286 F C 1.427 177.279 175.800 0.086 0.000 1.137 286 F CA -0.170 57.856 58.000 0.042 0.000 1.454 286 F CB -0.298 38.725 39.000 0.039 0.000 1.103 286 F HN 0.090 nan 8.300 nan 0.000 0.577 287 L N 0.169 121.474 121.223 0.137 0.000 2.083 287 L HA -0.187 4.240 4.340 0.146 0.000 0.209 287 L C 2.363 179.250 176.870 0.029 0.000 1.083 287 L CA 1.516 56.453 54.840 0.162 0.000 0.752 287 L CB -0.864 41.491 42.059 0.494 0.000 0.899 287 L HN 0.001 nan 8.230 nan 0.000 0.433 288 E N -0.780 119.404 120.200 -0.028 0.000 2.204 288 E HA -0.150 4.287 4.350 0.146 0.000 0.195 288 E C 2.103 178.616 176.600 -0.146 0.000 0.990 288 E CA 1.475 57.827 56.400 -0.080 0.000 0.821 288 E CB -0.316 29.321 29.700 -0.104 0.000 0.750 288 E HN 0.503 nan 8.360 nan 0.000 0.477 289 T N 0.994 115.374 114.554 -0.290 0.000 2.896 289 T HA 0.044 4.481 4.350 0.146 0.000 0.263 289 T C 2.075 176.617 174.700 -0.263 0.000 1.050 289 T CA 0.256 62.141 62.100 -0.359 0.000 1.140 289 T CB -0.014 68.404 68.868 -0.750 0.000 0.877 289 T HN 0.089 nan 8.240 nan 0.000 0.457 290 L N 0.155 121.164 121.223 -0.356 0.000 2.141 290 L HA 0.050 4.478 4.340 0.146 0.000 0.209 290 L C 1.854 178.732 176.870 0.014 0.000 1.094 290 L CA 0.811 55.581 54.840 -0.117 0.000 0.763 290 L CB -0.157 41.882 42.059 -0.035 0.000 0.908 290 L HN 0.152 nan 8.230 nan 0.000 0.437 291 R N 0.139 120.636 120.500 -0.005 0.000 2.574 291 R HA 0.082 4.509 4.340 0.146 0.000 0.266 291 R C 0.561 176.832 176.300 -0.048 0.000 1.157 291 R CA -0.198 55.912 56.100 0.017 0.000 1.187 291 R CB 0.594 30.917 30.300 0.038 0.000 1.179 291 R HN -0.015 nan 8.270 nan 0.000 0.600 292 K N -1.181 119.170 120.400 -0.083 0.000 3.606 292 K HA -0.201 4.206 4.320 0.146 0.000 0.279 292 K C -0.653 175.744 176.600 -0.338 0.000 1.137 292 K CA 1.590 57.752 56.287 -0.208 0.000 1.058 292 K CB -0.968 31.369 32.500 -0.271 0.000 1.343 292 K HN 0.617 nan 8.250 nan 0.000 0.462 293 H N 0.130 119.181 119.070 -0.033 0.000 2.679 293 H HA 0.148 4.792 4.556 0.145 0.000 0.360 293 H C 0.398 175.724 175.328 -0.003 0.000 1.105 293 H CA -0.629 55.408 56.048 -0.019 0.000 1.196 293 H CB 1.731 31.475 29.762 -0.030 0.000 1.636 293 H HN 0.009 nan 8.280 nan 0.000 0.531 294 E N 1.884 122.162 120.200 0.130 0.000 2.527 294 E HA -0.051 4.386 4.350 0.146 0.000 0.204 294 E C 0.115 176.766 176.600 0.085 0.000 1.132 294 E CA 0.169 56.618 56.400 0.083 0.000 0.905 294 E CB -0.093 29.645 29.700 0.064 0.000 0.875 294 E HN 0.314 nan 8.360 nan 0.000 0.548 295 R N 1.700 122.262 120.500 0.102 0.000 2.288 295 R HA 0.101 4.528 4.340 0.146 0.000 0.330 295 R C 0.593 176.942 176.300 0.081 0.000 1.069 295 R CA 0.061 56.209 56.100 0.079 0.000 0.941 295 R CB 0.445 30.781 30.300 0.059 0.000 0.998 295 R HN 0.027 nan 8.270 nan 0.000 0.452 296 Q N 5.535 125.388 119.800 0.088 0.000 2.788 296 Q HA 0.098 4.526 4.340 0.146 0.000 0.285 296 Q C -0.450 175.617 176.000 0.112 0.000 1.063 296 Q CA -0.444 55.424 55.803 0.108 0.000 0.958 296 Q CB 0.367 29.182 28.738 0.128 0.000 1.211 296 Q HN 0.557 nan 8.270 nan 0.000 0.478 297 R N 0.418 120.928 120.500 0.017 0.000 2.571 297 R HA 0.428 4.856 4.340 0.146 0.000 0.259 297 R C 0.147 176.174 176.300 -0.455 0.000 1.226 297 R CA -0.854 55.160 56.100 -0.143 0.000 1.157 297 R CB 0.678 30.940 30.300 -0.063 0.000 1.220 297 R HN 0.182 nan 8.270 nan 0.000 0.605 298 R N 0.155 120.252 120.500 -0.673 0.000 2.590 298 R HA 0.073 4.501 4.340 0.146 0.000 0.274 298 R C 0.124 176.298 176.300 -0.209 0.000 1.061 298 R CA -0.011 55.707 56.100 -0.637 0.000 1.081 298 R CB 0.711 30.786 30.300 -0.374 0.000 0.984 298 R HN 0.556 nan 8.270 nan 0.000 0.448 299 V N 4.890 124.737 119.914 -0.110 0.000 3.359 299 V HA 0.171 4.378 4.120 0.146 0.000 0.245 299 V C 0.147 176.236 176.094 -0.009 0.000 1.247 299 V CA 0.258 62.556 62.300 -0.003 0.000 1.145 299 V CB 0.337 32.174 31.823 0.022 0.000 0.906 299 V HN 0.573 nan 8.190 nan 0.000 0.464 300 L N -0.039 121.153 121.223 -0.052 0.000 2.408 300 L HA 0.575 5.002 4.340 0.146 0.000 0.268 300 L C -0.654 176.183 176.870 -0.055 0.000 0.986 300 L CA -0.153 54.638 54.840 -0.082 0.000 0.820 300 L CB 2.361 44.334 42.059 -0.144 0.000 1.303 300 L HN -0.082 nan 8.230 nan 0.000 0.411 301 T N 3.521 118.043 114.554 -0.054 0.000 2.758 301 T HA 0.448 4.885 4.350 0.146 0.000 0.285 301 T C 0.185 174.853 174.700 -0.053 0.000 0.981 301 T CA -0.518 61.559 62.100 -0.039 0.000 0.965 301 T CB 0.795 69.646 68.868 -0.029 0.000 0.927 301 T HN 0.295 nan 8.240 nan 0.000 0.448 302 L N 3.497 124.688 121.223 -0.054 0.000 2.615 302 L HA 0.060 4.487 4.340 0.146 0.000 0.284 302 L C 1.581 178.405 176.870 -0.077 0.000 1.237 302 L CA 0.312 55.105 54.840 -0.077 0.000 0.905 302 L CB 0.343 42.356 42.059 -0.076 0.000 1.149 302 L HN 0.686 nan 8.230 nan 0.000 0.499 303 R N 2.056 122.497 120.500 -0.097 0.000 2.215 303 R HA 0.243 4.670 4.340 0.146 0.000 0.190 303 R C -0.305 175.921 176.300 -0.122 0.000 0.968 303 R CA 0.372 56.425 56.100 -0.078 0.000 1.122 303 R CB 0.659 30.937 30.300 -0.036 0.000 1.151 303 R HN 0.515 nan 8.270 nan 0.000 0.582 304 K N 0.634 120.904 120.400 -0.218 0.000 2.565 304 K HA 0.342 4.749 4.320 0.146 0.000 0.249 304 K C -1.676 174.555 176.600 -0.615 0.000 0.958 304 K CA -0.653 55.403 56.287 -0.384 0.000 0.806 304 K CB 3.133 35.379 32.500 -0.424 0.000 1.194 304 K HN -0.142 nan 8.250 nan 0.000 0.434 305 V N 3.732 123.341 119.914 -0.508 0.000 2.481 305 V HA 0.353 4.561 4.120 0.146 0.000 0.286 305 V C -0.353 175.418 176.094 -0.538 0.000 1.042 305 V CA -0.518 61.512 62.300 -0.450 0.000 0.928 305 V CB 0.729 32.416 31.823 -0.225 0.000 0.986 305 V HN 0.619 nan 8.190 nan 0.000 0.462 306 F N 2.838 122.710 119.950 -0.130 0.000 2.560 306 F HA 0.286 4.899 4.527 0.143 0.000 0.338 306 F C 1.251 176.957 175.800 -0.158 0.000 1.201 306 F CA -0.346 57.560 58.000 -0.157 0.000 1.291 306 F CB 0.394 39.277 39.000 -0.194 0.000 1.627 306 F HN 0.435 nan 8.300 nan 0.000 0.588 307 Q N 1.695 121.484 119.800 -0.018 0.000 2.903 307 Q HA 0.043 4.470 4.340 0.146 0.000 0.243 307 Q C 0.664 176.638 176.000 -0.042 0.000 1.366 307 Q CA 0.255 56.039 55.803 -0.031 0.000 0.898 307 Q CB -0.235 28.480 28.738 -0.038 0.000 1.718 307 Q HN 0.438 nan 8.270 nan 0.000 0.557 308 T N 0.000 114.506 114.554 -0.081 0.000 3.816 308 T HA 0.000 4.437 4.350 0.146 0.000 0.228 308 T CA 0.000 62.005 62.100 -0.158 0.000 1.349 308 T CB 0.000 68.695 68.868 -0.288 0.000 0.612 308 T HN 0.000 nan 8.240 nan 0.000 0.658