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 2ggh_1_A DATA FIRST_RESID 6 DATA SEQUENCE RMFKIEAAEI VVARLPLKXX XXXXXXXXTH KVVPLLILHG EGVQGVAEGT DATA SEQUENCE MEARPMYREE TICGALCLLR GTFLPAILGQ TFANPEAVSD ALGSYRGNRM DATA SEQUENCE ARAMVEMAAW DLWARTLGVP LGTLLGGHKE QVEVGVSLGI QADEQATVDL DATA SEQUENCE VRRHVEQGYR RIKLKIKPGW DVQPVRATRE AFPDIRLTVD ANSAYTLADA DATA SEQUENCE GRLRQLDEYD LTYIEQPLAW DDLVDHAELA RRIRTPLCLD ESVASASDAR DATA SEQUENCE KALALGAGGV INLKVARVGG HAESRRVHDV AQSFGAPVWC GGMLESGIGR DATA SEQUENCE AHNIHLSTLS NFRLPGDTSS ASRYWERDLI QEPLEAVDGL MPVPQGPGTG DATA SEQUENCE VTLDREFLAT VTEAQEEHRA 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 6 R HA 0.000 nan 4.340 nan 0.000 0.208 6 R C 0.000 176.486 176.300 0.310 0.000 0.893 6 R CA 0.000 56.222 56.100 0.203 0.000 0.921 6 R CB 0.000 30.375 30.300 0.124 0.000 0.687 7 M N 1.267 120.988 119.600 0.201 0.000 2.198 7 M HA 0.339 4.820 4.480 0.001 0.000 0.315 7 M C -0.226 176.241 176.300 0.278 0.000 1.134 7 M CA 0.169 55.572 55.300 0.171 0.000 1.171 7 M CB -0.001 32.586 32.600 -0.022 0.000 1.413 7 M HN 0.556 nan 8.290 nan 0.000 0.467 8 F N -0.733 119.292 119.950 0.124 0.000 2.540 8 F HA 0.678 5.206 4.527 0.001 0.000 0.317 8 F C -0.732 175.141 175.800 0.122 0.000 1.104 8 F CA -1.185 56.901 58.000 0.144 0.000 0.913 8 F CB 1.064 40.190 39.000 0.210 0.000 1.170 8 F HN 0.420 nan 8.300 nan 0.000 0.450 9 K N 4.606 125.118 120.400 0.188 0.000 2.185 9 K HA 0.540 4.861 4.320 0.001 0.000 0.269 9 K C -1.048 175.690 176.600 0.230 0.000 0.987 9 K CA -0.649 55.691 56.287 0.089 0.000 0.865 9 K CB 1.084 33.611 32.500 0.046 0.000 1.090 9 K HN 0.883 nan 8.250 nan 0.000 0.450 10 I N 4.810 125.525 120.570 0.242 0.000 2.291 10 I HA 0.054 4.224 4.170 0.001 0.000 0.292 10 I C 0.776 177.005 176.117 0.186 0.000 1.064 10 I CA 0.019 61.482 61.300 0.272 0.000 1.269 10 I CB 1.130 39.323 38.000 0.321 0.000 1.418 10 I HN 0.770 nan 8.210 nan 0.000 0.485 11 E N 4.456 124.762 120.200 0.177 0.000 2.216 11 E HA 0.267 4.618 4.350 0.001 0.000 0.192 11 E C 0.361 177.041 176.600 0.134 0.000 0.973 11 E CA 0.147 56.625 56.400 0.131 0.000 0.851 11 E CB 0.537 30.303 29.700 0.110 0.000 0.804 11 E HN 0.741 nan 8.360 nan 0.000 0.477 12 A N 0.306 123.239 122.820 0.187 0.000 2.604 12 A HA 0.791 5.112 4.320 0.001 0.000 0.295 12 A C -1.671 176.081 177.584 0.279 0.000 1.067 12 A CA -0.315 51.841 52.037 0.198 0.000 0.683 12 A CB 1.727 20.797 19.000 0.116 0.000 1.281 12 A HN 0.061 nan 8.150 nan 0.000 0.407 13 A N 0.925 123.899 122.820 0.257 0.000 2.455 13 A HA 0.757 5.078 4.320 0.001 0.000 0.300 13 A C -0.940 176.792 177.584 0.246 0.000 1.040 13 A CA -0.425 51.749 52.037 0.229 0.000 0.697 13 A CB 1.099 20.187 19.000 0.147 0.000 1.265 13 A HN 0.751 nan 8.150 nan 0.000 0.407 14 E N 1.408 121.733 120.200 0.208 0.000 2.183 14 E HA 0.581 4.932 4.350 0.001 0.000 0.271 14 E C -1.177 175.496 176.600 0.122 0.000 0.919 14 E CA -0.483 56.022 56.400 0.175 0.000 0.781 14 E CB 2.397 32.195 29.700 0.164 0.000 1.140 14 E HN 0.573 nan 8.360 nan 0.000 0.402 15 I N 2.635 123.280 120.570 0.126 0.000 2.339 15 I HA 0.278 4.448 4.170 0.001 0.000 0.290 15 I C -0.814 175.333 176.117 0.050 0.000 0.994 15 I CA -0.941 60.404 61.300 0.075 0.000 1.191 15 I CB 1.380 39.425 38.000 0.075 0.000 1.343 15 I HN 0.182 nan 8.210 nan 0.000 0.458 16 V N 7.237 127.166 119.914 0.024 0.000 2.487 16 V HA 0.375 4.496 4.120 0.001 0.000 0.298 16 V C -0.128 175.959 176.094 -0.012 0.000 1.028 16 V CA -0.722 61.579 62.300 0.003 0.000 0.860 16 V CB 2.126 33.945 31.823 -0.006 0.000 0.991 16 V HN 0.374 nan 8.190 nan 0.000 0.427 17 V N 4.400 124.303 119.914 -0.018 0.000 2.347 17 V HA 0.779 4.899 4.120 0.001 0.000 0.280 17 V C 0.466 176.535 176.094 -0.042 0.000 1.021 17 V CA -0.322 61.963 62.300 -0.025 0.000 0.847 17 V CB 1.360 33.173 31.823 -0.016 0.000 0.990 17 V HN 0.995 nan 8.190 nan 0.000 0.444 18 A N 5.151 127.939 122.820 -0.053 0.000 2.320 18 A HA 0.861 5.182 4.320 0.001 0.000 0.334 18 A C -0.090 177.468 177.584 -0.044 0.000 1.147 18 A CA -0.844 51.147 52.037 -0.076 0.000 0.820 18 A CB 1.076 20.002 19.000 -0.122 0.000 1.218 18 A HN 0.790 nan 8.150 nan 0.000 0.482 19 R N 1.730 122.209 120.500 -0.035 0.000 2.310 19 R HA 0.481 4.822 4.340 0.001 0.000 0.316 19 R C -1.839 174.549 176.300 0.146 0.000 1.004 19 R CA -0.509 55.615 56.100 0.040 0.000 0.900 19 R CB 0.510 30.785 30.300 -0.042 0.000 1.152 19 R HN 0.569 nan 8.270 nan 0.000 0.513 20 L N 6.930 128.255 121.223 0.171 0.000 2.257 20 L HA 0.507 4.848 4.340 0.001 0.000 0.290 20 L C -2.336 174.744 176.870 0.351 0.000 1.044 20 L CA -2.412 52.522 54.840 0.156 0.000 0.810 20 L CB 1.369 43.306 42.059 -0.203 0.000 1.193 20 L HN 0.510 nan 8.230 nan 0.000 0.425 21 P HA 0.095 nan 4.420 nan 0.000 0.267 21 P C -0.373 177.047 177.300 0.201 0.000 1.209 21 P CA 0.083 63.124 63.100 -0.098 0.000 0.763 21 P CB 0.377 32.042 31.700 -0.058 0.000 0.816 22 L N 3.040 124.302 121.223 0.065 0.000 2.475 22 L HA 0.331 4.672 4.340 0.001 0.000 0.250 22 L C 1.231 178.099 176.870 -0.005 0.000 1.224 22 L CA -0.094 54.763 54.840 0.028 0.000 0.821 22 L CB 0.054 42.073 42.059 -0.067 0.000 1.141 22 L HN 0.401 nan 8.230 nan 0.000 0.494 35 H N 1.108 120.235 119.070 0.095 0.000 2.941 35 H HA 0.620 5.176 4.556 0.001 0.000 0.344 35 H C -0.816 174.609 175.328 0.162 0.000 1.235 35 H CA -0.957 55.177 56.048 0.142 0.000 1.149 35 H CB 2.351 32.178 29.762 0.108 0.000 1.885 35 H HN 0.505 nan 8.280 nan 0.000 0.558 36 K N 1.262 121.883 120.400 0.368 0.000 2.443 36 K HA 0.337 4.658 4.320 0.001 0.000 0.252 36 K C -1.263 175.461 176.600 0.207 0.000 0.933 36 K CA -0.623 55.840 56.287 0.293 0.000 0.792 36 K CB 1.951 34.698 32.500 0.412 0.000 1.185 36 K HN 0.233 nan 8.250 nan 0.000 0.425 37 V N 4.412 124.404 119.914 0.129 0.000 2.439 37 V HA 0.118 4.239 4.120 0.001 0.000 0.271 37 V C -0.342 175.781 176.094 0.049 0.000 1.040 37 V CA -0.433 61.907 62.300 0.067 0.000 1.002 37 V CB 1.026 32.873 31.823 0.041 0.000 1.000 37 V HN 0.462 nan 8.190 nan 0.000 0.477 38 V N 8.687 128.606 119.914 0.009 0.000 2.304 38 V HA 0.331 4.452 4.120 0.001 0.000 0.278 38 V C -2.331 173.748 176.094 -0.026 0.000 1.018 38 V CA -1.800 60.489 62.300 -0.018 0.000 0.814 38 V CB 1.577 33.350 31.823 -0.083 0.000 1.021 38 V HN 0.742 nan 8.190 nan 0.000 0.440 39 P HA 0.445 nan 4.420 nan 0.000 0.287 39 P C -0.847 176.442 177.300 -0.017 0.000 1.281 39 P CA -0.128 62.964 63.100 -0.014 0.000 0.781 39 P CB 0.934 32.629 31.700 -0.009 0.000 0.903 40 L N 3.364 124.579 121.223 -0.015 0.000 2.342 40 L HA 0.603 4.943 4.340 0.001 0.000 0.271 40 L C -0.310 176.561 176.870 0.001 0.000 1.008 40 L CA -1.162 53.672 54.840 -0.011 0.000 0.818 40 L CB 1.971 44.022 42.059 -0.013 0.000 1.296 40 L HN 0.206 nan 8.230 nan 0.000 0.427 41 L N 3.375 124.599 121.223 0.000 0.000 2.333 41 L HA 0.626 4.967 4.340 0.001 0.000 0.280 41 L C -1.014 175.855 176.870 -0.003 0.000 1.004 41 L CA 0.016 54.861 54.840 0.008 0.000 0.820 41 L CB 1.573 43.636 42.059 0.007 0.000 1.247 41 L HN 0.377 nan 8.230 nan 0.000 0.416 42 I N 5.918 126.481 120.570 -0.011 0.000 2.389 42 I HA 0.404 4.574 4.170 0.001 0.000 0.288 42 I C -0.780 175.254 176.117 -0.138 0.000 0.999 42 I CA -0.284 60.960 61.300 -0.094 0.000 1.129 42 I CB 1.539 39.470 38.000 -0.116 0.000 1.288 42 I HN 0.417 nan 8.210 nan 0.000 0.444 43 L N 5.890 127.017 121.223 -0.160 0.000 2.307 43 L HA 0.513 4.854 4.340 0.001 0.000 0.284 43 L C -0.450 176.307 176.870 -0.188 0.000 1.023 43 L CA -0.687 54.104 54.840 -0.082 0.000 0.810 43 L CB 0.976 43.045 42.059 0.017 0.000 1.231 43 L HN 0.516 nan 8.230 nan 0.000 0.423 44 H N 2.099 121.224 119.070 0.092 0.000 2.466 44 H HA 0.699 5.255 4.556 0.001 0.000 0.338 44 H C -0.159 175.236 175.328 0.112 0.000 1.091 44 H CA -0.498 55.600 56.048 0.084 0.000 1.207 44 H CB 2.260 32.065 29.762 0.070 0.000 1.466 44 H HN 0.778 nan 8.280 nan 0.000 0.493 45 G N 1.179 110.110 108.800 0.217 0.000 2.667 45 G HA2 0.211 4.172 3.960 0.001 0.000 0.294 45 G HA3 0.211 4.172 3.960 0.001 0.000 0.294 45 G C -0.663 174.333 174.900 0.159 0.000 1.467 45 G CA -0.824 44.400 45.100 0.207 0.000 0.852 45 G HN 0.451 nan 8.290 nan 0.000 0.521 46 E N -0.752 119.537 120.200 0.148 0.000 2.660 46 E HA -0.279 4.071 4.350 0.001 0.000 0.260 46 E C 1.478 178.127 176.600 0.081 0.000 1.122 46 E CA 2.064 58.533 56.400 0.116 0.000 0.755 46 E CB -1.554 28.228 29.700 0.137 0.000 1.345 46 E HN 2.538 nan 8.360 nan 0.000 0.421 47 G N -1.734 107.117 108.800 0.084 0.000 2.159 47 G HA2 -0.336 3.625 3.960 0.001 0.000 0.256 47 G HA3 -0.336 3.625 3.960 0.001 0.000 0.256 47 G C 0.481 175.419 174.900 0.064 0.000 0.977 47 G CA 1.125 46.265 45.100 0.067 0.000 0.652 47 G HN 1.005 nan 8.290 nan 0.000 0.531 48 V N -3.100 116.854 119.914 0.068 0.000 3.145 48 V HA 0.986 5.107 4.120 0.001 0.000 0.311 48 V C -0.316 175.809 176.094 0.052 0.000 1.238 48 V CA -0.192 62.133 62.300 0.042 0.000 1.066 48 V CB 1.803 33.623 31.823 -0.006 0.000 1.144 48 V HN 1.110 nan 8.190 nan 0.000 0.465 49 Q N 0.358 120.153 119.800 -0.008 0.000 2.416 49 Q HA 0.774 5.114 4.340 0.001 0.000 0.281 49 Q C -0.687 175.259 176.000 -0.089 0.000 1.067 49 Q CA -0.602 55.143 55.803 -0.097 0.000 0.809 49 Q CB 2.271 30.893 28.738 -0.193 0.000 1.418 49 Q HN 1.286 nan 8.270 nan 0.000 0.411 50 G N 0.721 109.462 108.800 -0.099 0.000 2.452 50 G HA2 0.596 4.557 3.960 0.001 0.000 0.324 50 G HA3 0.596 4.557 3.960 0.001 0.000 0.324 50 G C -1.163 173.723 174.900 -0.023 0.000 1.214 50 G CA -0.652 44.428 45.100 -0.033 0.000 0.947 50 G HN 0.407 nan 8.290 nan 0.000 0.478 51 V N 0.567 120.511 119.914 0.051 0.000 2.656 51 V HA 0.861 4.982 4.120 0.001 0.000 0.307 51 V C 0.175 176.378 176.094 0.182 0.000 1.051 51 V CA -0.608 61.733 62.300 0.067 0.000 0.893 51 V CB 1.244 33.093 31.823 0.044 0.000 0.999 51 V HN 1.235 nan 8.190 nan 0.000 0.426 52 A N 3.214 126.074 122.820 0.067 0.000 2.527 52 A HA 0.905 5.226 4.320 0.001 0.000 0.293 52 A C -0.995 176.560 177.584 -0.048 0.000 1.117 52 A CA -0.649 51.360 52.037 -0.046 0.000 0.723 52 A CB 2.028 20.934 19.000 -0.157 0.000 1.313 52 A HN 0.841 nan 8.150 nan 0.000 0.411 53 E N 0.652 120.797 120.200 -0.091 0.000 2.210 53 E HA 0.540 4.891 4.350 0.001 0.000 0.266 53 E C 0.066 176.629 176.600 -0.060 0.000 0.883 53 E CA -0.649 55.721 56.400 -0.050 0.000 0.761 53 E CB 1.645 31.332 29.700 -0.022 0.000 1.156 53 E HN 0.943 nan 8.360 nan 0.000 0.412 54 G N 1.283 110.061 108.800 -0.036 0.000 2.467 54 G HA2 0.227 4.188 3.960 0.001 0.000 0.257 54 G HA3 0.227 4.188 3.960 0.001 0.000 0.257 54 G C 0.584 175.471 174.900 -0.022 0.000 1.227 54 G CA 0.009 45.093 45.100 -0.027 0.000 0.835 54 G HN 0.594 nan 8.290 nan 0.000 0.556 55 T N 0.027 114.568 114.554 -0.022 0.000 3.085 55 T HA 0.201 4.551 4.350 0.001 0.000 0.264 55 T C 1.086 175.783 174.700 -0.005 0.000 1.019 55 T CA -0.417 61.668 62.100 -0.026 0.000 0.910 55 T CB -0.076 68.757 68.868 -0.059 0.000 1.059 55 T HN 0.522 nan 8.240 nan 0.000 0.542 56 M N 1.325 120.932 119.600 0.011 0.000 2.240 56 M HA 0.541 5.022 4.480 0.001 0.000 0.333 56 M C -0.525 175.785 176.300 0.017 0.000 1.110 56 M CA -0.006 55.308 55.300 0.024 0.000 1.173 56 M CB 0.193 32.803 32.600 0.017 0.000 1.458 56 M HN 0.075 nan 8.290 nan 0.000 0.458 57 E N 1.479 121.691 120.200 0.021 0.000 2.302 57 E HA 0.624 4.974 4.350 0.001 0.000 0.255 57 E C 0.980 177.586 176.600 0.010 0.000 1.099 57 E CA -0.410 56.001 56.400 0.018 0.000 0.929 57 E CB 0.894 30.608 29.700 0.023 0.000 1.203 57 E HN 0.777 nan 8.360 nan 0.000 0.459 58 A N 0.787 123.614 122.820 0.011 0.000 1.930 58 A HA -0.082 4.238 4.320 0.001 0.000 0.217 58 A C 0.758 178.341 177.584 -0.003 0.000 1.175 58 A CA 1.261 53.300 52.037 0.004 0.000 0.627 58 A CB -0.141 18.864 19.000 0.008 0.000 0.815 58 A HN 0.386 nan 8.150 nan 0.000 0.443 59 R N -0.799 119.699 120.500 -0.003 0.000 2.832 59 R HA 0.413 4.754 4.340 0.001 0.000 0.271 59 R C -2.927 173.359 176.300 -0.023 0.000 0.996 59 R CA -2.309 53.783 56.100 -0.013 0.000 0.977 59 R CB 0.993 31.287 30.300 -0.011 0.000 1.168 59 R HN -0.001 nan 8.270 nan 0.000 0.482 60 P HA 0.108 nan 4.420 nan 0.000 0.260 60 P C -0.392 176.840 177.300 -0.114 0.000 1.651 60 P CA 0.331 63.384 63.100 -0.078 0.000 1.139 60 P CB 0.376 32.025 31.700 -0.085 0.000 1.756 61 M N 1.124 120.672 119.600 -0.087 0.000 2.999 61 M HA 0.041 4.522 4.480 0.001 0.000 0.246 61 M C 1.829 178.055 176.300 -0.123 0.000 1.478 61 M CA 0.686 55.933 55.300 -0.088 0.000 1.243 61 M CB -0.344 32.243 32.600 -0.021 0.000 1.213 61 M HN 0.074 nan 8.290 nan 0.000 0.564 62 Y N 1.265 121.466 120.300 -0.165 0.000 2.263 62 Y HA 0.142 4.693 4.550 0.001 0.000 0.292 62 Y C 1.355 177.079 175.900 -0.294 0.000 1.130 62 Y CA 1.268 59.266 58.100 -0.171 0.000 1.179 62 Y CB 0.351 38.753 38.460 -0.097 0.000 0.998 62 Y HN 0.004 nan 8.280 nan 0.000 0.532 63 R N -0.967 119.261 120.500 -0.453 0.000 3.317 63 R HA 0.100 4.440 4.340 0.001 0.000 0.259 63 R C 1.064 177.134 176.300 -0.384 0.000 1.143 63 R CA 0.144 55.854 56.100 -0.650 0.000 0.969 63 R CB 0.453 30.441 30.300 -0.521 0.000 1.465 63 R HN 0.113 nan 8.270 nan 0.000 0.430 64 E N 0.921 120.956 120.200 -0.275 0.000 2.385 64 E HA 0.028 4.378 4.350 0.001 0.000 0.194 64 E C -0.608 175.953 176.600 -0.064 0.000 1.013 64 E CA 0.823 57.135 56.400 -0.146 0.000 0.866 64 E CB 0.354 30.033 29.700 -0.036 0.000 0.832 64 E HN 0.422 nan 8.360 nan 0.000 0.500 65 E N 1.125 121.301 120.200 -0.040 0.000 2.314 65 E HA 0.304 4.654 4.350 0.001 0.000 0.262 65 E C -0.201 176.391 176.600 -0.014 0.000 1.093 65 E CA -0.100 56.293 56.400 -0.012 0.000 0.908 65 E CB 1.293 31.000 29.700 0.011 0.000 1.091 65 E HN 0.251 nan 8.360 nan 0.000 0.425 66 T N -2.312 112.234 114.554 -0.014 0.000 2.883 66 T HA 0.383 4.734 4.350 0.001 0.000 0.296 66 T C 0.974 175.665 174.700 -0.014 0.000 1.117 66 T CA -0.761 61.331 62.100 -0.013 0.000 1.006 66 T CB 0.694 69.551 68.868 -0.017 0.000 1.191 66 T HN 0.385 nan 8.240 nan 0.000 0.508 67 I N 0.426 120.990 120.570 -0.010 0.000 2.179 67 I HA -0.146 4.024 4.170 0.001 0.000 0.242 67 I C 2.964 179.067 176.117 -0.022 0.000 1.088 67 I CA 1.505 62.798 61.300 -0.012 0.000 1.357 67 I CB -0.376 37.621 38.000 -0.006 0.000 1.051 67 I HN 0.908 nan 8.210 nan 0.000 0.409 68 C N 1.354 120.641 119.300 -0.022 0.000 2.413 68 C HA -0.144 4.317 4.460 0.001 0.000 0.276 68 C C 2.977 177.941 174.990 -0.043 0.000 1.236 68 C CA 1.378 60.378 59.018 -0.029 0.000 1.735 68 C CB -1.607 26.119 27.740 -0.023 0.000 2.031 68 C HN 0.626 nan 8.230 nan 0.000 0.474 69 G N -0.179 108.594 108.800 -0.044 0.000 2.408 69 G HA2 0.063 4.024 3.960 0.001 0.000 0.217 69 G HA3 0.063 4.024 3.960 0.001 0.000 0.217 69 G C 1.986 176.832 174.900 -0.090 0.000 1.150 69 G CA 1.130 46.193 45.100 -0.062 0.000 0.776 69 G HN 0.819 nan 8.290 nan 0.000 0.542 70 A N 0.738 123.517 122.820 -0.069 0.000 1.873 70 A HA 0.121 4.442 4.320 0.001 0.000 0.215 70 A C 2.423 179.945 177.584 -0.102 0.000 1.186 70 A CA 1.196 53.187 52.037 -0.076 0.000 0.616 70 A CB -0.454 18.529 19.000 -0.029 0.000 0.823 70 A HN 0.323 nan 8.150 nan 0.000 0.442 71 L N -0.826 120.353 121.223 -0.073 0.000 2.083 71 L HA -0.247 4.093 4.340 0.001 0.000 0.209 71 L C 2.767 179.571 176.870 -0.110 0.000 1.083 71 L CA 1.178 55.974 54.840 -0.074 0.000 0.752 71 L CB -0.923 41.113 42.059 -0.039 0.000 0.899 71 L HN 0.499 nan 8.230 nan 0.000 0.433 72 C N -0.245 118.988 119.300 -0.113 0.000 2.413 72 C HA -0.203 4.258 4.460 0.001 0.000 0.276 72 C C 2.773 177.629 174.990 -0.223 0.000 1.236 72 C CA 0.729 59.666 59.018 -0.135 0.000 1.735 72 C CB -0.701 26.969 27.740 -0.116 0.000 2.031 72 C HN 0.435 nan 8.230 nan 0.000 0.474 73 L N 0.233 121.272 121.223 -0.306 0.000 2.046 73 L HA -0.093 4.248 4.340 0.001 0.000 0.208 73 L C 2.269 178.756 176.870 -0.638 0.000 1.077 73 L CA 1.716 56.218 54.840 -0.562 0.000 0.747 73 L CB -0.690 40.959 42.059 -0.683 0.000 0.896 73 L HN 0.319 nan 8.230 nan 0.000 0.432 74 L N -0.654 120.339 121.223 -0.383 0.000 1.994 74 L HA -0.226 4.115 4.340 0.001 0.000 0.208 74 L C 2.805 179.538 176.870 -0.228 0.000 1.071 74 L CA 1.973 56.685 54.840 -0.213 0.000 0.745 74 L CB -0.588 41.410 42.059 -0.102 0.000 0.892 74 L HN 0.358 nan 8.230 nan 0.000 0.431 75 R N -0.197 120.152 120.500 -0.252 0.000 2.093 75 R HA -0.013 4.328 4.340 0.001 0.000 0.224 75 R C 2.084 178.277 176.300 -0.178 0.000 1.101 75 R CA 1.283 57.197 56.100 -0.310 0.000 0.979 75 R CB -0.867 29.312 30.300 -0.201 0.000 0.877 75 R HN 0.244 nan 8.270 nan 0.000 0.441 76 G N -0.667 108.034 108.800 -0.165 0.000 2.683 76 G HA2 -0.019 3.942 3.960 0.001 0.000 0.213 76 G HA3 -0.019 3.942 3.960 0.001 0.000 0.213 76 G C 0.780 175.589 174.900 -0.151 0.000 1.142 76 G CA 0.838 45.861 45.100 -0.129 0.000 0.793 76 G HN 0.371 nan 8.290 nan 0.000 0.534 77 T N -0.540 113.873 114.554 -0.236 0.000 3.358 77 T HA 0.179 4.530 4.350 0.001 0.000 0.263 77 T C 1.683 176.373 174.700 -0.017 0.000 0.998 77 T CA -0.236 61.722 62.100 -0.238 0.000 1.130 77 T CB -0.057 68.460 68.868 -0.585 0.000 1.165 77 T HN -0.009 nan 8.240 nan 0.000 0.426 78 F N 2.143 121.997 119.950 -0.160 0.000 2.113 78 F HA 0.229 4.757 4.527 0.001 0.000 0.297 78 F C 2.178 177.943 175.800 -0.057 0.000 1.103 78 F CA 0.317 58.260 58.000 -0.095 0.000 1.248 78 F CB -1.259 37.683 39.000 -0.097 0.000 0.999 78 F HN 0.079 nan 8.300 nan 0.000 0.475 79 L N -0.282 120.998 121.223 0.096 0.000 2.027 79 L HA -0.137 4.203 4.340 0.001 0.000 0.206 79 L C -0.305 176.598 176.870 0.055 0.000 1.074 79 L CA 1.330 56.188 54.840 0.030 0.000 0.745 79 L CB -2.036 39.955 42.059 -0.114 0.000 0.898 79 L HN 0.050 nan 8.230 nan 0.000 0.433 80 P HA -0.134 nan 4.420 nan 0.000 0.222 80 P C 1.298 178.654 177.300 0.092 0.000 1.147 80 P CA 1.437 64.576 63.100 0.064 0.000 0.790 80 P CB 0.012 31.740 31.700 0.045 0.000 0.780 81 A N -0.224 122.669 122.820 0.121 0.000 1.968 81 A HA -0.104 4.216 4.320 0.001 0.000 0.217 81 A C 2.015 179.700 177.584 0.169 0.000 1.169 81 A CA 1.457 53.583 52.037 0.148 0.000 0.638 81 A CB -1.270 17.847 19.000 0.195 0.000 0.812 81 A HN 0.355 nan 8.150 nan 0.000 0.446 82 I N -3.930 116.747 120.570 0.178 0.000 3.939 82 I HA 0.310 4.481 4.170 0.001 0.000 0.313 82 I C 0.122 176.380 176.117 0.235 0.000 1.274 82 I CA -0.289 61.179 61.300 0.280 0.000 1.301 82 I CB -0.094 38.016 38.000 0.182 0.000 1.105 82 I HN -0.057 nan 8.210 nan 0.000 0.427 83 L N 3.748 125.062 121.223 0.152 0.000 2.513 83 L HA 0.260 4.601 4.340 0.001 0.000 0.272 83 L C 1.333 178.256 176.870 0.089 0.000 1.187 83 L CA 1.185 56.102 54.840 0.129 0.000 0.895 83 L CB 0.329 42.457 42.059 0.114 0.000 1.147 83 L HN 0.621 nan 8.230 nan 0.000 0.483 84 G N 1.587 110.432 108.800 0.076 0.000 2.175 84 G HA2 -0.192 3.768 3.960 0.001 0.000 0.244 84 G HA3 -0.192 3.768 3.960 0.001 0.000 0.244 84 G C 0.219 175.089 174.900 -0.050 0.000 0.982 84 G CA -0.469 44.644 45.100 0.022 0.000 0.641 84 G HN 0.504 nan 8.290 nan 0.000 0.527 85 Q N 0.403 120.150 119.800 -0.089 0.000 2.205 85 Q HA 0.632 4.973 4.340 0.001 0.000 0.249 85 Q C -0.307 175.340 176.000 -0.588 0.000 0.948 85 Q CA -0.029 55.553 55.803 -0.369 0.000 0.895 85 Q CB 1.553 29.989 28.738 -0.503 0.000 1.249 85 Q HN 0.195 nan 8.270 nan 0.000 0.458 86 T N 1.821 115.917 114.554 -0.763 0.000 2.823 86 T HA 0.665 5.016 4.350 0.001 0.000 0.279 86 T C -0.807 173.296 174.700 -0.995 0.000 0.998 86 T CA -0.257 61.457 62.100 -0.644 0.000 0.994 86 T CB 0.269 68.935 68.868 -0.336 0.000 0.960 86 T HN 0.244 nan 8.240 nan 0.000 0.448 87 F N 0.328 119.890 119.950 -0.645 0.000 2.576 87 F HA 0.586 5.114 4.527 0.001 0.000 0.313 87 F C 0.993 176.348 175.800 -0.743 0.000 1.078 87 F CA -1.211 56.325 58.000 -0.773 0.000 0.921 87 F CB 1.629 39.988 39.000 -1.068 0.000 1.232 87 F HN 0.643 nan 8.300 nan 0.000 0.459 88 A N 2.188 124.833 122.820 -0.292 0.000 1.975 88 A HA 0.139 4.460 4.320 0.001 0.000 0.215 88 A C 0.293 177.558 177.584 -0.531 0.000 1.170 88 A CA 1.022 52.895 52.037 -0.274 0.000 0.656 88 A CB -0.498 18.397 19.000 -0.174 0.000 0.821 88 A HN 0.855 nan 8.150 nan 0.000 0.449 89 N N -3.367 115.010 118.700 -0.539 0.000 3.116 89 N HA 0.227 4.968 4.740 0.001 0.000 0.244 89 N C -3.031 172.118 175.510 -0.601 0.000 1.485 89 N CA -1.492 51.021 53.050 -0.894 0.000 0.884 89 N CB 0.833 38.827 38.487 -0.821 0.000 1.415 89 N HN -0.308 nan 8.380 nan 0.000 0.524 90 P HA -0.069 nan 4.420 nan 0.000 0.220 90 P C 0.581 177.601 177.300 -0.468 0.000 1.148 90 P CA 1.332 64.005 63.100 -0.711 0.000 0.803 90 P CB 0.191 30.992 31.700 -1.499 0.000 0.782 91 E N -0.169 119.806 120.200 -0.376 0.000 2.106 91 E HA -0.115 4.236 4.350 0.001 0.000 0.192 91 E C 2.158 178.648 176.600 -0.183 0.000 0.984 91 E CA 1.427 57.720 56.400 -0.178 0.000 0.806 91 E CB -1.058 28.589 29.700 -0.089 0.000 0.750 91 E HN 0.139 nan 8.360 nan 0.000 0.458 92 A N 0.484 123.177 122.820 -0.213 0.000 1.933 92 A HA -0.147 4.174 4.320 0.001 0.000 0.218 92 A C 2.424 179.880 177.584 -0.213 0.000 1.175 92 A CA 1.262 53.227 52.037 -0.120 0.000 0.628 92 A CB -0.621 18.361 19.000 -0.030 0.000 0.814 92 A HN 0.151 nan 8.150 nan 0.000 0.444 93 V N -0.741 118.839 119.914 -0.556 0.000 2.295 93 V HA -0.200 3.920 4.120 0.001 0.000 0.246 93 V C 2.774 178.601 176.094 -0.445 0.000 1.049 93 V CA 2.283 64.027 62.300 -0.927 0.000 1.024 93 V CB -0.791 30.507 31.823 -0.876 0.000 0.648 93 V HN 0.622 nan 8.190 nan 0.000 0.447 94 S N -0.187 115.331 115.700 -0.303 0.000 2.368 94 S HA -0.264 4.206 4.470 0.001 0.000 0.224 94 S C 1.893 176.402 174.600 -0.151 0.000 1.029 94 S CA 1.951 60.027 58.200 -0.207 0.000 0.988 94 S CB -0.462 62.661 63.200 -0.129 0.000 0.838 94 S HN 0.793 nan 8.310 nan 0.000 0.462 95 D N 0.878 121.211 120.400 -0.112 0.000 2.182 95 D HA -0.070 4.571 4.640 0.001 0.000 0.201 95 D C 1.649 177.926 176.300 -0.038 0.000 0.986 95 D CA 1.299 55.262 54.000 -0.062 0.000 0.847 95 D CB -0.346 40.429 40.800 -0.042 0.000 0.942 95 D HN 0.421 nan 8.370 nan 0.000 0.467 96 A N -0.547 122.256 122.820 -0.027 0.000 2.248 96 A HA 0.094 4.415 4.320 0.001 0.000 0.210 96 A C 1.683 179.285 177.584 0.030 0.000 1.174 96 A CA 0.511 52.574 52.037 0.044 0.000 0.750 96 A CB -0.355 18.745 19.000 0.167 0.000 0.780 96 A HN 0.444 nan 8.150 nan 0.000 0.478 97 L N -2.218 118.983 121.223 -0.036 0.000 2.966 97 L HA 0.196 4.536 4.340 0.001 0.000 0.262 97 L C 1.948 178.844 176.870 0.043 0.000 1.165 97 L CA 0.349 55.185 54.840 -0.007 0.000 0.978 97 L CB 0.324 42.180 42.059 -0.338 0.000 1.337 97 L HN 0.371 nan 8.230 nan 0.000 0.563 98 G N -0.534 108.253 108.800 -0.021 0.000 2.776 98 G HA2 -0.104 3.857 3.960 0.001 0.000 0.209 98 G HA3 -0.104 3.857 3.960 0.001 0.000 0.209 98 G C 1.338 176.197 174.900 -0.069 0.000 1.145 98 G CA 0.410 45.491 45.100 -0.032 0.000 0.791 98 G HN 0.252 nan 8.290 nan 0.000 0.530 99 S N -0.535 115.052 115.700 -0.188 0.000 2.461 99 S HA 0.132 4.603 4.470 0.001 0.000 0.228 99 S C 0.384 174.764 174.600 -0.367 0.000 1.005 99 S CA 0.160 58.143 58.200 -0.362 0.000 0.942 99 S CB -0.096 62.747 63.200 -0.596 0.000 0.776 99 S HN 0.465 nan 8.310 nan 0.000 0.514 100 Y N 1.611 121.962 120.300 0.085 0.000 2.320 100 Y HA 0.467 5.018 4.550 0.001 0.000 0.324 100 Y C 0.869 176.826 175.900 0.095 0.000 1.190 100 Y CA -0.886 57.284 58.100 0.118 0.000 1.215 100 Y CB 0.637 39.239 38.460 0.236 0.000 1.221 100 Y HN -0.161 nan 8.280 nan 0.000 0.486 101 R N 1.083 121.723 120.500 0.234 0.000 2.474 101 R HA 0.506 4.847 4.340 0.001 0.000 0.295 101 R C 0.600 176.986 176.300 0.143 0.000 0.980 101 R CA -0.075 56.109 56.100 0.141 0.000 0.934 101 R CB 1.366 31.723 30.300 0.095 0.000 1.101 101 R HN 0.971 nan 8.270 nan 0.000 0.469 102 G N 2.320 111.186 108.800 0.110 0.000 2.582 102 G HA2 -0.442 3.518 3.960 0.001 0.000 0.288 102 G HA3 -0.442 3.518 3.960 0.001 0.000 0.288 102 G C -0.264 174.712 174.900 0.126 0.000 1.247 102 G CA 0.470 45.630 45.100 0.101 0.000 0.972 102 G HN 0.897 nan 8.290 nan 0.000 0.557 103 N N -0.855 117.911 118.700 0.110 0.000 2.725 103 N HA -0.193 4.548 4.740 0.001 0.000 0.251 103 N C 1.251 176.843 175.510 0.136 0.000 1.031 103 N CA 1.220 54.343 53.050 0.123 0.000 0.720 103 N CB -0.428 38.149 38.487 0.150 0.000 0.930 103 N HN 0.702 nan 8.380 nan 0.000 0.543 104 R N -0.086 120.469 120.500 0.092 0.000 2.092 104 R HA 0.030 4.370 4.340 0.001 0.000 0.231 104 R C 1.809 178.140 176.300 0.052 0.000 1.119 104 R CA 1.583 57.723 56.100 0.066 0.000 0.970 104 R CB -0.087 30.243 30.300 0.050 0.000 0.864 104 R HN 0.474 nan 8.270 nan 0.000 0.440 105 M N -0.170 119.463 119.600 0.056 0.000 2.132 105 M HA -0.065 4.416 4.480 0.001 0.000 0.263 105 M C 2.527 178.857 176.300 0.049 0.000 1.065 105 M CA 1.580 56.902 55.300 0.036 0.000 1.122 105 M CB -0.290 32.332 32.600 0.038 0.000 1.365 105 M HN 0.190 nan 8.290 nan 0.000 0.411 106 A N 0.973 123.848 122.820 0.093 0.000 1.908 106 A HA -0.175 4.146 4.320 0.001 0.000 0.218 106 A C 2.203 179.922 177.584 0.225 0.000 1.181 106 A CA 1.660 53.788 52.037 0.152 0.000 0.627 106 A CB -0.651 18.448 19.000 0.165 0.000 0.818 106 A HN 0.451 nan 8.150 nan 0.000 0.445 107 R N -0.622 119.995 120.500 0.194 0.000 2.092 107 R HA -0.029 4.311 4.340 0.001 0.000 0.231 107 R C 2.424 178.691 176.300 -0.056 0.000 1.119 107 R CA 1.068 57.149 56.100 -0.032 0.000 0.970 107 R CB -0.463 29.773 30.300 -0.107 0.000 0.864 107 R HN 0.511 nan 8.270 nan 0.000 0.440 108 A N 1.200 124.007 122.820 -0.022 0.000 1.972 108 A HA -0.153 4.167 4.320 0.001 0.000 0.219 108 A C 2.162 179.707 177.584 -0.064 0.000 1.169 108 A CA 1.199 53.203 52.037 -0.054 0.000 0.635 108 A CB -0.382 18.575 19.000 -0.072 0.000 0.810 108 A HN 0.182 nan 8.150 nan 0.000 0.446 109 M N -0.742 118.837 119.600 -0.035 0.000 2.065 109 M HA -0.170 4.311 4.480 0.001 0.000 0.259 109 M C 2.138 178.424 176.300 -0.023 0.000 1.069 109 M CA 1.789 57.068 55.300 -0.035 0.000 1.110 109 M CB -0.553 32.047 32.600 0.001 0.000 1.328 109 M HN 0.278 nan 8.290 nan 0.000 0.405 110 V N -0.001 119.905 119.914 -0.013 0.000 2.261 110 V HA -0.247 3.873 4.120 0.001 0.000 0.246 110 V C 2.410 178.478 176.094 -0.044 0.000 1.047 110 V CA 1.941 64.221 62.300 -0.035 0.000 1.015 110 V CB -0.876 30.897 31.823 -0.084 0.000 0.642 110 V HN 0.497 nan 8.190 nan 0.000 0.446 111 E N -0.002 120.168 120.200 -0.049 0.000 2.085 111 E HA -0.231 4.120 4.350 0.001 0.000 0.194 111 E C 2.186 178.887 176.600 0.168 0.000 0.994 111 E CA 1.838 58.246 56.400 0.013 0.000 0.801 111 E CB -0.129 29.589 29.700 0.031 0.000 0.743 111 E HN 0.590 nan 8.360 nan 0.000 0.453 112 M N -0.265 119.405 119.600 0.118 0.000 2.200 112 M HA -0.053 4.428 4.480 0.001 0.000 0.265 112 M C 2.441 178.902 176.300 0.267 0.000 1.066 112 M CA 1.245 56.664 55.300 0.199 0.000 1.127 112 M CB -0.164 32.300 32.600 -0.227 0.000 1.379 112 M HN 0.076 nan 8.290 nan 0.000 0.420 113 A N 0.712 123.599 122.820 0.112 0.000 1.902 113 A HA -0.076 4.245 4.320 0.001 0.000 0.217 113 A C 2.392 180.036 177.584 0.100 0.000 1.181 113 A CA 1.954 54.058 52.037 0.112 0.000 0.623 113 A CB -0.929 18.093 19.000 0.037 0.000 0.818 113 A HN 0.483 nan 8.150 nan 0.000 0.443 114 A N -1.445 121.414 122.820 0.065 0.000 1.902 114 A HA -0.174 4.147 4.320 0.001 0.000 0.217 114 A C 1.985 179.552 177.584 -0.028 0.000 1.181 114 A CA 1.391 53.421 52.037 -0.013 0.000 0.623 114 A CB -0.927 18.020 19.000 -0.088 0.000 0.818 114 A HN 0.744 nan 8.150 nan 0.000 0.443 115 W N -0.060 121.299 121.300 0.098 0.000 2.335 115 W HA -0.179 4.482 4.660 0.001 0.000 0.311 115 W C 2.114 178.667 176.519 0.057 0.000 1.213 115 W CA 1.478 58.903 57.345 0.134 0.000 1.274 115 W CB -0.192 29.376 29.460 0.180 0.000 1.148 115 W HN 0.453 nan 8.180 nan 0.000 0.498 116 D N -0.115 120.458 120.400 0.289 0.000 2.097 116 D HA -0.188 4.453 4.640 0.001 0.000 0.195 116 D C 2.039 178.335 176.300 -0.007 0.000 0.989 116 D CA 1.300 55.355 54.000 0.090 0.000 0.827 116 D CB -0.502 40.361 40.800 0.106 0.000 0.966 116 D HN -0.016 nan 8.370 nan 0.000 0.456 117 L N 0.677 121.882 121.223 -0.030 0.000 1.989 117 L HA -0.108 4.233 4.340 0.001 0.000 0.211 117 L C 2.224 178.968 176.870 -0.209 0.000 1.071 117 L CA 1.939 56.704 54.840 -0.125 0.000 0.749 117 L CB -1.105 40.866 42.059 -0.147 0.000 0.890 117 L HN 0.396 nan 8.230 nan 0.000 0.431 118 W N 0.357 121.332 121.300 -0.542 0.000 2.317 118 W HA -0.320 4.342 4.660 0.002 0.000 0.318 118 W C 2.163 178.527 176.519 -0.257 0.000 1.227 118 W CA 1.895 58.880 57.345 -0.600 0.000 1.269 118 W CB -0.291 28.799 29.460 -0.617 0.000 1.155 118 W HN 0.362 nan 8.180 nan 0.000 0.484 119 A N 1.219 123.903 122.820 -0.227 0.000 1.940 119 A HA -0.238 4.083 4.320 0.001 0.000 0.219 119 A C 1.970 179.393 177.584 -0.268 0.000 1.176 119 A CA 2.042 53.904 52.037 -0.293 0.000 0.631 119 A CB -0.899 18.030 19.000 -0.117 0.000 0.814 119 A HN 0.465 nan 8.150 nan 0.000 0.446 120 R N -0.727 119.657 120.500 -0.194 0.000 2.148 120 R HA -0.051 4.290 4.340 0.001 0.000 0.223 120 R C 2.375 178.582 176.300 -0.154 0.000 1.088 120 R CA 1.492 57.501 56.100 -0.152 0.000 0.985 120 R CB -0.498 29.739 30.300 -0.105 0.000 0.880 120 R HN 0.769 nan 8.270 nan 0.000 0.451 121 T N -0.995 113.443 114.554 -0.193 0.000 2.867 121 T HA -0.037 4.314 4.350 0.001 0.000 0.268 121 T C 1.760 176.334 174.700 -0.210 0.000 1.057 121 T CA 0.883 62.891 62.100 -0.152 0.000 1.136 121 T CB -0.080 68.734 68.868 -0.090 0.000 0.874 121 T HN 0.142 nan 8.240 nan 0.000 0.466 122 L N 0.388 121.399 121.223 -0.353 0.000 2.446 122 L HA 0.350 4.691 4.340 0.001 0.000 0.219 122 L C 2.156 178.899 176.870 -0.212 0.000 1.116 122 L CA 0.479 55.115 54.840 -0.340 0.000 0.844 122 L CB -0.645 41.090 42.059 -0.540 0.000 0.970 122 L HN 0.596 nan 8.230 nan 0.000 0.457 123 G N 0.789 109.480 108.800 -0.181 0.000 2.160 123 G HA2 -0.239 3.722 3.960 0.001 0.000 0.251 123 G HA3 -0.239 3.722 3.960 0.001 0.000 0.251 123 G C 0.027 174.855 174.900 -0.119 0.000 1.008 123 G CA 0.183 45.208 45.100 -0.125 0.000 0.724 123 G HN 0.144 nan 8.290 nan 0.000 0.514 124 V N 0.803 120.625 119.914 -0.153 0.000 2.513 124 V HA 0.530 4.651 4.120 0.001 0.000 0.299 124 V C -1.777 174.250 176.094 -0.113 0.000 1.035 124 V CA -1.966 60.261 62.300 -0.121 0.000 0.889 124 V CB 2.064 33.807 31.823 -0.133 0.000 0.988 124 V HN 0.060 nan 8.190 nan 0.000 0.440 125 P HA 0.024 nan 4.420 nan 0.000 0.266 125 P C 0.602 177.835 177.300 -0.110 0.000 1.195 125 P CA -0.090 62.973 63.100 -0.061 0.000 0.768 125 P CB 0.619 32.351 31.700 0.054 0.000 0.838 126 L N 4.552 125.603 121.223 -0.286 0.000 1.989 126 L HA -0.090 4.251 4.340 0.001 0.000 0.211 126 L C 2.291 179.052 176.870 -0.182 0.000 1.071 126 L CA 2.693 57.355 54.840 -0.297 0.000 0.749 126 L CB -1.771 39.953 42.059 -0.559 0.000 0.890 126 L HN 0.523 nan 8.230 nan 0.000 0.431 127 G N -1.880 106.942 108.800 0.037 0.000 2.469 127 G HA2 -0.303 3.657 3.960 0.001 0.000 0.220 127 G HA3 -0.303 3.657 3.960 0.001 0.000 0.220 127 G C 1.437 176.310 174.900 -0.045 0.000 1.136 127 G CA 1.377 46.473 45.100 -0.007 0.000 0.759 127 G HN 0.472 nan 8.290 nan 0.000 0.562 128 T N 1.130 115.684 114.554 -0.001 0.000 2.746 128 T HA -0.014 4.337 4.350 0.001 0.000 0.267 128 T C 2.368 177.071 174.700 0.005 0.000 1.039 128 T CA 0.813 62.918 62.100 0.008 0.000 1.142 128 T CB -0.174 68.701 68.868 0.012 0.000 0.866 128 T HN 0.159 nan 8.240 nan 0.000 0.444 129 L N 0.363 121.583 121.223 -0.005 0.000 2.201 129 L HA 0.055 4.396 4.340 0.001 0.000 0.212 129 L C 2.073 178.965 176.870 0.037 0.000 1.105 129 L CA 0.915 55.797 54.840 0.071 0.000 0.775 129 L CB -0.371 41.801 42.059 0.188 0.000 0.913 129 L HN 0.282 nan 8.230 nan 0.000 0.440 130 L N -0.854 120.288 121.223 -0.134 0.000 2.554 130 L HA 0.113 4.454 4.340 0.001 0.000 0.226 130 L C 1.425 178.238 176.870 -0.096 0.000 1.137 130 L CA 0.656 55.369 54.840 -0.212 0.000 0.863 130 L CB -0.258 41.568 42.059 -0.388 0.000 0.985 130 L HN 0.466 nan 8.230 nan 0.000 0.451 131 G N -0.354 108.426 108.800 -0.034 0.000 2.163 131 G HA2 -0.189 3.772 3.960 0.001 0.000 0.213 131 G HA3 -0.189 3.772 3.960 0.001 0.000 0.213 131 G C 0.488 175.398 174.900 0.017 0.000 0.991 131 G CA -0.331 44.780 45.100 0.019 0.000 0.653 131 G HN 0.480 nan 8.290 nan 0.000 0.518 132 G N -0.412 108.363 108.800 -0.043 0.000 2.476 132 G HA2 0.611 4.571 3.960 0.001 0.000 0.269 132 G HA3 0.611 4.571 3.960 0.001 0.000 0.269 132 G C 0.118 175.014 174.900 -0.007 0.000 1.195 132 G CA 0.210 45.255 45.100 -0.091 0.000 0.843 132 G HN 1.334 nan 8.290 nan 0.000 0.545 133 H N -1.751 117.313 119.070 -0.011 0.000 2.777 133 H HA 0.376 4.932 4.556 0.001 0.000 0.244 133 H C 0.146 175.465 175.328 -0.014 0.000 1.185 133 H CA -0.673 55.368 56.048 -0.012 0.000 0.945 133 H CB -0.063 29.699 29.762 0.000 0.000 1.994 133 H HN 0.282 nan 8.280 nan 0.000 0.638 134 K N 1.074 121.427 120.400 -0.080 0.000 2.218 134 K HA 0.154 4.474 4.320 0.001 0.000 0.276 134 K C 0.126 176.699 176.600 -0.045 0.000 1.022 134 K CA -0.280 55.977 56.287 -0.050 0.000 0.946 134 K CB 1.481 33.935 32.500 -0.078 0.000 1.000 134 K HN 0.466 nan 8.250 nan 0.000 0.468 135 E N 1.314 121.497 120.200 -0.028 0.000 2.452 135 E HA -0.014 4.337 4.350 0.001 0.000 0.197 135 E C -0.128 176.436 176.600 -0.060 0.000 1.022 135 E CA 0.371 56.746 56.400 -0.042 0.000 0.890 135 E CB 0.654 30.343 29.700 -0.018 0.000 0.918 135 E HN 0.410 nan 8.360 nan 0.000 0.496 136 Q N 0.420 120.188 119.800 -0.053 0.000 2.377 136 Q HA 0.376 4.716 4.340 0.001 0.000 0.279 136 Q C -1.498 174.474 176.000 -0.046 0.000 1.049 136 Q CA -0.771 55.001 55.803 -0.052 0.000 0.825 136 Q CB 3.318 32.036 28.738 -0.033 0.000 1.401 136 Q HN 0.037 nan 8.270 nan 0.000 0.404 137 V N -1.549 118.338 119.914 -0.044 0.000 2.680 137 V HA 0.586 4.707 4.120 0.001 0.000 0.309 137 V C -0.548 175.551 176.094 0.009 0.000 1.052 137 V CA -0.804 61.483 62.300 -0.022 0.000 0.908 137 V CB 1.857 33.649 31.823 -0.051 0.000 1.001 137 V HN 0.733 nan 8.190 nan 0.000 0.431 138 E N 2.349 122.571 120.200 0.037 0.000 2.338 138 E HA 0.507 4.858 4.350 0.001 0.000 0.272 138 E C -0.388 176.260 176.600 0.080 0.000 1.029 138 E CA -0.409 56.021 56.400 0.049 0.000 0.872 138 E CB 1.934 31.667 29.700 0.055 0.000 1.015 138 E HN 0.911 nan 8.360 nan 0.000 0.417 139 V N -0.294 119.672 119.914 0.087 0.000 2.680 139 V HA 0.869 4.989 4.120 0.001 0.000 0.309 139 V C 0.201 176.422 176.094 0.211 0.000 1.052 139 V CA -0.708 61.680 62.300 0.147 0.000 0.908 139 V CB 1.701 33.618 31.823 0.158 0.000 1.001 139 V HN 0.663 nan 8.190 nan 0.000 0.431 140 G N 0.980 109.876 108.800 0.159 0.000 2.597 140 G HA2 0.689 4.650 3.960 0.001 0.000 0.317 140 G HA3 0.689 4.650 3.960 0.001 0.000 0.317 140 G C -1.216 173.598 174.900 -0.143 0.000 1.230 140 G CA -0.808 44.322 45.100 0.049 0.000 0.996 140 G HN 1.231 nan 8.290 nan 0.000 0.490 141 V N -0.598 119.055 119.914 -0.435 0.000 2.769 141 V HA 0.742 4.863 4.120 0.001 0.000 0.312 141 V C -0.439 175.422 176.094 -0.389 0.000 1.061 141 V CA -0.618 61.252 62.300 -0.718 0.000 0.931 141 V CB 2.333 33.260 31.823 -1.494 0.000 1.010 141 V HN 0.740 nan 8.190 nan 0.000 0.433 142 S N 6.452 121.976 115.700 -0.294 0.000 2.456 142 S HA 0.750 5.220 4.470 0.001 0.000 0.316 142 S C -1.024 173.506 174.600 -0.116 0.000 1.089 142 S CA -0.417 57.701 58.200 -0.137 0.000 1.101 142 S CB 1.195 64.376 63.200 -0.033 0.000 0.995 142 S HN 0.487 nan 8.310 nan 0.000 0.468 143 L N 2.614 123.802 121.223 -0.057 0.000 2.329 143 L HA 0.678 5.018 4.340 0.001 0.000 0.279 143 L C 0.983 177.874 176.870 0.035 0.000 1.014 143 L CA -0.212 54.629 54.840 0.000 0.000 0.814 143 L CB 1.072 43.149 42.059 0.031 0.000 1.257 143 L HN 0.751 nan 8.230 nan 0.000 0.424 144 G N 2.400 111.226 108.800 0.043 0.000 2.588 144 G HA2 0.417 4.378 3.960 0.001 0.000 0.278 144 G HA3 0.417 4.378 3.960 0.001 0.000 0.278 144 G C 0.037 174.992 174.900 0.091 0.000 1.307 144 G CA -0.753 44.383 45.100 0.060 0.000 1.016 144 G HN 0.435 nan 8.290 nan 0.000 0.503 145 I N 1.108 121.736 120.570 0.097 0.000 2.598 145 I HA 0.074 4.244 4.170 0.001 0.000 0.284 145 I C 0.243 176.394 176.117 0.056 0.000 1.140 145 I CA 0.072 61.450 61.300 0.131 0.000 1.420 145 I CB 0.681 38.720 38.000 0.065 0.000 1.387 145 I HN 0.352 nan 8.210 nan 0.000 0.553 146 Q N 4.383 124.250 119.800 0.112 0.000 2.169 146 Q HA 0.448 4.788 4.340 0.001 0.000 0.234 146 Q C 0.913 176.838 176.000 -0.126 0.000 0.980 146 Q CA -0.525 55.297 55.803 0.032 0.000 0.941 146 Q CB 1.144 29.944 28.738 0.103 0.000 1.199 146 Q HN 0.715 nan 8.270 nan 0.000 0.496 147 A N 0.357 123.101 122.820 -0.126 0.000 1.929 147 A HA -0.081 4.239 4.320 0.001 0.000 0.216 147 A C 0.128 177.516 177.584 -0.325 0.000 1.176 147 A CA 2.069 53.969 52.037 -0.228 0.000 0.628 147 A CB -0.147 18.776 19.000 -0.128 0.000 0.816 147 A HN 0.795 nan 8.150 nan 0.000 0.444 148 D N -4.299 116.042 120.400 -0.098 0.000 2.768 148 D HA 0.283 4.924 4.640 0.001 0.000 0.327 148 D C 0.259 176.802 176.300 0.404 0.000 1.302 148 D CA -0.387 53.668 54.000 0.092 0.000 0.897 148 D CB -0.058 40.778 40.800 0.059 0.000 1.420 148 D HN -0.028 nan 8.370 nan 0.000 0.494 149 E N -0.947 119.514 120.200 0.434 0.000 2.031 149 E HA -0.198 4.153 4.350 0.001 0.000 0.193 149 E C 1.585 178.270 176.600 0.142 0.000 0.994 149 E CA 1.048 57.597 56.400 0.250 0.000 0.800 149 E CB -0.032 29.747 29.700 0.131 0.000 0.752 149 E HN 0.352 nan 8.360 nan 0.000 0.447 150 Q N -0.043 119.821 119.800 0.107 0.000 2.167 150 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 150 Q C 2.068 178.110 176.000 0.069 0.000 0.970 150 Q CA 1.155 56.999 55.803 0.069 0.000 0.855 150 Q CB -0.121 28.644 28.738 0.045 0.000 0.911 150 Q HN 0.239 nan 8.270 nan 0.000 0.438 151 A N -0.073 122.793 122.820 0.077 0.000 1.930 151 A HA -0.132 4.188 4.320 0.001 0.000 0.217 151 A C 2.281 179.910 177.584 0.075 0.000 1.175 151 A CA 1.822 53.895 52.037 0.059 0.000 0.627 151 A CB -0.629 18.396 19.000 0.043 0.000 0.815 151 A HN 0.369 nan 8.150 nan 0.000 0.443 152 T N -0.212 114.416 114.554 0.124 0.000 2.674 152 T HA -0.135 4.216 4.350 0.001 0.000 0.265 152 T C 1.872 176.623 174.700 0.086 0.000 1.039 152 T CA 1.710 63.882 62.100 0.120 0.000 1.150 152 T CB -0.510 68.454 68.868 0.160 0.000 0.864 152 T HN 0.150 nan 8.240 nan 0.000 0.427 153 V N 1.766 121.739 119.914 0.099 0.000 2.407 153 V HA -0.183 3.938 4.120 0.001 0.000 0.248 153 V C 2.331 178.514 176.094 0.148 0.000 1.055 153 V CA 2.016 64.405 62.300 0.148 0.000 1.049 153 V CB -0.679 31.216 31.823 0.121 0.000 0.662 153 V HN 0.532 nan 8.190 nan 0.000 0.455 154 D N -0.403 120.045 120.400 0.081 0.000 2.144 154 D HA -0.183 4.458 4.640 0.001 0.000 0.199 154 D C 1.915 178.212 176.300 -0.006 0.000 0.984 154 D CA 1.024 55.052 54.000 0.046 0.000 0.834 154 D CB -0.028 40.785 40.800 0.020 0.000 0.955 154 D HN 0.299 nan 8.370 nan 0.000 0.465 155 L N -0.274 120.932 121.223 -0.028 0.000 2.179 155 L HA 0.032 4.373 4.340 0.001 0.000 0.208 155 L C 2.071 178.851 176.870 -0.150 0.000 1.096 155 L CA 0.910 55.675 54.840 -0.125 0.000 0.779 155 L CB -0.176 41.838 42.059 -0.074 0.000 0.922 155 L HN 0.011 nan 8.230 nan 0.000 0.443 156 V N -0.294 119.586 119.914 -0.057 0.000 2.358 156 V HA -0.268 3.852 4.120 0.001 0.000 0.246 156 V C 2.725 178.671 176.094 -0.247 0.000 1.047 156 V CA 1.976 64.196 62.300 -0.134 0.000 1.035 156 V CB -0.709 31.017 31.823 -0.161 0.000 0.658 156 V HN 0.471 nan 8.190 nan 0.000 0.452 157 R N 0.140 120.593 120.500 -0.078 0.000 2.091 157 R HA -0.208 4.133 4.340 0.001 0.000 0.238 157 R C 2.560 178.848 176.300 -0.020 0.000 1.136 157 R CA 1.923 58.060 56.100 0.062 0.000 0.959 157 R CB -0.322 30.150 30.300 0.287 0.000 0.856 157 R HN 0.476 nan 8.270 nan 0.000 0.437 158 R N -0.402 120.046 120.500 -0.087 0.000 2.094 158 R HA -0.210 4.131 4.340 0.001 0.000 0.239 158 R C 1.807 178.064 176.300 -0.071 0.000 1.137 158 R CA 2.363 58.384 56.100 -0.132 0.000 0.943 158 R CB -0.488 29.641 30.300 -0.284 0.000 0.850 158 R HN 0.505 nan 8.270 nan 0.000 0.433 159 H N -0.784 118.287 119.070 0.001 0.000 2.462 159 H HA -0.025 4.532 4.556 0.001 0.000 0.292 159 H C 2.107 177.499 175.328 0.105 0.000 1.049 159 H CA 0.982 57.085 56.048 0.092 0.000 1.334 159 H CB 0.321 30.054 29.762 -0.047 0.000 1.404 159 H HN 0.026 nan 8.280 nan 0.000 0.544 160 V N 0.736 120.672 119.914 0.036 0.000 2.407 160 V HA -0.220 3.901 4.120 0.001 0.000 0.248 160 V C 2.270 178.376 176.094 0.020 0.000 1.055 160 V CA 1.981 64.256 62.300 -0.043 0.000 1.049 160 V CB -0.208 31.452 31.823 -0.271 0.000 0.662 160 V HN 0.389 nan 8.190 nan 0.000 0.455 161 E N 0.178 120.397 120.200 0.032 0.000 2.152 161 E HA -0.198 4.153 4.350 0.001 0.000 0.192 161 E C 2.158 178.770 176.600 0.020 0.000 0.983 161 E CA 1.056 57.475 56.400 0.032 0.000 0.818 161 E CB -0.179 29.541 29.700 0.033 0.000 0.758 161 E HN 0.662 nan 8.360 nan 0.000 0.467 162 Q N -1.055 118.773 119.800 0.046 0.000 2.488 162 Q HA 0.067 4.408 4.340 0.001 0.000 0.211 162 Q C 0.959 176.878 176.000 -0.135 0.000 0.967 162 Q CA 0.639 56.434 55.803 -0.013 0.000 0.926 162 Q CB 0.306 29.089 28.738 0.076 0.000 0.992 162 Q HN 0.428 nan 8.270 nan 0.000 0.506 163 G N -0.113 108.642 108.800 -0.074 0.000 2.141 163 G HA2 -0.283 3.677 3.960 0.001 0.000 0.231 163 G HA3 -0.283 3.677 3.960 0.001 0.000 0.231 163 G C -0.356 174.467 174.900 -0.128 0.000 0.984 163 G CA -0.468 44.571 45.100 -0.101 0.000 0.660 163 G HN 0.313 nan 8.290 nan 0.000 0.525 164 Y N -0.067 120.218 120.300 -0.026 0.000 2.597 164 Y HA 0.345 4.896 4.550 0.001 0.000 0.336 164 Y C 1.949 177.816 175.900 -0.055 0.000 1.216 164 Y CA 0.515 58.588 58.100 -0.046 0.000 1.463 164 Y CB 0.505 38.921 38.460 -0.073 0.000 1.303 164 Y HN 0.113 nan 8.280 nan 0.000 0.576 165 R N 1.268 121.837 120.500 0.115 0.000 2.362 165 R HA 0.177 4.518 4.340 0.001 0.000 0.227 165 R C 0.049 176.349 176.300 -0.000 0.000 0.905 165 R CA -0.019 56.104 56.100 0.037 0.000 1.067 165 R CB 0.500 30.815 30.300 0.025 0.000 1.078 165 R HN 0.359 nan 8.270 nan 0.000 0.516 166 R N 1.135 121.630 120.500 -0.009 0.000 2.566 166 R HA 0.237 4.578 4.340 0.001 0.000 0.271 166 R C -1.759 174.456 176.300 -0.142 0.000 1.071 166 R CA -0.538 55.500 56.100 -0.103 0.000 0.915 166 R CB 1.369 31.574 30.300 -0.159 0.000 1.228 166 R HN -0.067 nan 8.270 nan 0.000 0.449 167 I N 4.049 124.514 120.570 -0.175 0.000 2.339 167 I HA 0.356 4.527 4.170 0.001 0.000 0.290 167 I C 0.251 176.247 176.117 -0.202 0.000 0.994 167 I CA -0.549 60.638 61.300 -0.188 0.000 1.191 167 I CB 1.372 39.270 38.000 -0.170 0.000 1.343 167 I HN 0.434 nan 8.210 nan 0.000 0.458 168 K N 7.781 128.069 120.400 -0.187 0.000 2.265 168 K HA 0.586 4.907 4.320 0.001 0.000 0.267 168 K C -1.353 175.198 176.600 -0.081 0.000 0.994 168 K CA -0.537 55.664 56.287 -0.144 0.000 0.860 168 K CB 1.082 33.516 32.500 -0.110 0.000 1.099 168 K HN 0.536 nan 8.250 nan 0.000 0.448 169 L N 3.926 125.115 121.223 -0.058 0.000 2.282 169 L HA 0.357 4.697 4.340 0.001 0.000 0.288 169 L C -0.103 176.791 176.870 0.041 0.000 1.033 169 L CA -1.091 53.744 54.840 -0.009 0.000 0.807 169 L CB 1.292 43.335 42.059 -0.026 0.000 1.209 169 L HN 0.518 nan 8.230 nan 0.000 0.423 170 K N 4.779 125.225 120.400 0.077 0.000 2.416 170 K HA 0.386 4.706 4.320 0.001 0.000 0.283 170 K C -0.577 176.116 176.600 0.155 0.000 1.037 170 K CA 0.089 56.448 56.287 0.120 0.000 0.995 170 K CB 0.296 32.866 32.500 0.118 0.000 0.938 170 K HN 0.559 nan 8.250 nan 0.000 0.475 171 I N 0.228 120.902 120.570 0.173 0.000 3.067 171 I HA 0.670 4.841 4.170 0.001 0.000 0.312 171 I C -1.074 175.204 176.117 0.268 0.000 1.073 171 I CA -1.084 60.341 61.300 0.210 0.000 1.016 171 I CB 2.211 40.302 38.000 0.152 0.000 1.227 171 I HN 0.721 nan 8.210 nan 0.000 0.456 172 K N 1.343 121.912 120.400 0.281 0.000 2.579 172 K HA 0.604 4.925 4.320 0.001 0.000 0.284 172 K C -3.268 173.376 176.600 0.074 0.000 0.990 172 K CA -1.745 54.620 56.287 0.132 0.000 0.880 172 K CB 1.463 34.018 32.500 0.091 0.000 1.488 172 K HN 0.246 nan 8.250 nan 0.000 0.425 173 P HA 0.017 nan 4.420 nan 0.000 0.264 173 P C 0.602 177.937 177.300 0.058 0.000 1.183 173 P CA 1.690 64.715 63.100 -0.126 0.000 0.763 173 P CB 0.578 32.119 31.700 -0.264 0.000 0.807 174 G N 1.487 110.365 108.800 0.131 0.000 2.268 174 G HA2 -0.213 3.747 3.960 0.001 0.000 0.240 174 G HA3 -0.213 3.747 3.960 0.001 0.000 0.240 174 G C -0.367 174.725 174.900 0.321 0.000 1.010 174 G CA -0.173 45.031 45.100 0.175 0.000 0.618 174 G HN 0.605 nan 8.290 nan 0.000 0.516 175 W N 1.846 123.179 121.300 0.054 0.000 2.409 175 W HA 0.467 5.128 4.660 0.001 0.000 0.285 175 W C -0.147 176.419 176.519 0.079 0.000 1.030 175 W CA 0.317 57.692 57.345 0.050 0.000 1.330 175 W CB 0.669 30.147 29.460 0.030 0.000 1.236 175 W HN 0.330 nan 8.180 nan 0.000 0.341 176 D N -0.161 120.129 120.400 -0.184 0.000 2.769 176 D HA -0.029 4.611 4.640 0.001 0.000 0.155 176 D C 1.467 177.614 176.300 -0.255 0.000 1.479 176 D CA 0.248 54.157 54.000 -0.153 0.000 1.511 176 D CB 0.247 41.090 40.800 0.072 0.000 1.634 176 D HN -0.064 nan 8.370 nan 0.000 0.282 177 V N 0.996 120.811 119.914 -0.166 0.000 2.392 177 V HA -0.261 3.860 4.120 0.001 0.000 0.249 177 V C 2.312 178.210 176.094 -0.327 0.000 1.059 177 V CA 2.312 64.512 62.300 -0.166 0.000 1.051 177 V CB -0.898 30.903 31.823 -0.036 0.000 0.658 177 V HN 0.148 nan 8.190 nan 0.000 0.455 178 Q N 0.385 119.926 119.800 -0.432 0.000 1.993 178 Q HA -0.112 4.228 4.340 0.001 0.000 0.202 178 Q C 0.125 175.753 176.000 -0.619 0.000 0.984 178 Q CA 2.147 57.638 55.803 -0.520 0.000 0.837 178 Q CB -1.813 26.580 28.738 -0.574 0.000 0.902 178 Q HN 0.539 nan 8.270 nan 0.000 0.423 179 P HA -0.114 nan 4.420 nan 0.000 0.216 179 P C 1.297 178.380 177.300 -0.363 0.000 1.153 179 P CA 1.129 63.894 63.100 -0.558 0.000 0.848 179 P CB 0.014 31.352 31.700 -0.604 0.000 0.787 180 V N 0.976 120.654 119.914 -0.393 0.000 2.295 180 V HA -0.227 3.894 4.120 0.001 0.000 0.246 180 V C 3.044 178.809 176.094 -0.549 0.000 1.049 180 V CA 2.101 64.185 62.300 -0.359 0.000 1.024 180 V CB -1.155 30.491 31.823 -0.293 0.000 0.648 180 V HN 0.078 nan 8.190 nan 0.000 0.447 181 R N 0.315 120.354 120.500 -0.768 0.000 2.080 181 R HA -0.199 4.141 4.340 0.001 0.000 0.236 181 R C 2.330 178.380 176.300 -0.416 0.000 1.137 181 R CA 1.951 57.495 56.100 -0.926 0.000 0.943 181 R CB -0.588 29.342 30.300 -0.616 0.000 0.846 181 R HN 0.459 nan 8.270 nan 0.000 0.431 182 A N -0.033 122.620 122.820 -0.277 0.000 1.908 182 A HA -0.163 4.158 4.320 0.001 0.000 0.218 182 A C 2.222 179.757 177.584 -0.081 0.000 1.181 182 A CA 2.166 54.119 52.037 -0.139 0.000 0.627 182 A CB -0.950 17.994 19.000 -0.093 0.000 0.818 182 A HN 0.528 nan 8.150 nan 0.000 0.445 183 T N -0.903 113.602 114.554 -0.082 0.000 2.737 183 T HA -0.110 4.241 4.350 0.001 0.000 0.265 183 T C 2.138 176.893 174.700 0.092 0.000 1.038 183 T CA 1.658 63.790 62.100 0.053 0.000 1.144 183 T CB -0.200 68.671 68.868 0.005 0.000 0.866 183 T HN 0.477 nan 8.240 nan 0.000 0.434 184 R N 1.408 121.893 120.500 -0.026 0.000 2.115 184 R HA 0.034 4.375 4.340 0.001 0.000 0.230 184 R C 2.133 178.456 176.300 0.038 0.000 1.111 184 R CA 1.501 57.624 56.100 0.038 0.000 0.976 184 R CB -0.529 29.805 30.300 0.058 0.000 0.870 184 R HN 0.444 nan 8.270 nan 0.000 0.445 185 E N -0.727 119.464 120.200 -0.016 0.000 2.051 185 E HA -0.134 4.217 4.350 0.001 0.000 0.192 185 E C 1.646 178.187 176.600 -0.098 0.000 0.991 185 E CA 1.617 57.998 56.400 -0.031 0.000 0.799 185 E CB -0.149 29.523 29.700 -0.045 0.000 0.748 185 E HN 0.463 nan 8.360 nan 0.000 0.449 186 A N -0.470 122.258 122.820 -0.154 0.000 2.016 186 A HA 0.019 4.340 4.320 0.001 0.000 0.217 186 A C 0.456 177.601 177.584 -0.733 0.000 1.162 186 A CA 0.592 52.370 52.037 -0.433 0.000 0.662 186 A CB 0.130 18.843 19.000 -0.478 0.000 0.812 186 A HN 0.223 nan 8.150 nan 0.000 0.450 187 F N -1.182 118.758 119.950 -0.017 0.000 2.660 187 F HA 0.343 4.870 4.527 0.001 0.000 0.352 187 F C -2.150 173.646 175.800 -0.008 0.000 1.257 187 F CA -1.673 56.319 58.000 -0.012 0.000 1.200 187 F CB 1.676 40.666 39.000 -0.016 0.000 1.473 187 F HN 0.005 nan 8.300 nan 0.000 0.561 188 P HA -0.082 nan 4.420 nan 0.000 0.223 188 P C 0.576 177.918 177.300 0.071 0.000 1.151 188 P CA 1.380 64.521 63.100 0.068 0.000 0.787 188 P CB 0.388 32.106 31.700 0.030 0.000 0.788 189 D N -1.202 119.250 120.400 0.086 0.000 2.474 189 D HA 0.117 4.758 4.640 0.001 0.000 0.213 189 D C 1.112 177.442 176.300 0.049 0.000 1.120 189 D CA -0.072 53.963 54.000 0.058 0.000 0.836 189 D CB 0.523 41.352 40.800 0.049 0.000 1.019 189 D HN 0.262 nan 8.370 nan 0.000 0.507 190 I N -0.752 119.858 120.570 0.067 0.000 2.938 190 I HA 0.150 4.320 4.170 0.001 0.000 0.285 190 I C 0.575 176.677 176.117 -0.024 0.000 1.182 190 I CA -0.584 60.724 61.300 0.013 0.000 1.388 190 I CB 0.827 38.809 38.000 -0.029 0.000 1.390 190 I HN -0.352 nan 8.210 nan 0.000 0.600 191 R N 4.360 124.828 120.500 -0.054 0.000 2.288 191 R HA 0.426 4.766 4.340 0.001 0.000 0.330 191 R C -1.352 174.863 176.300 -0.142 0.000 1.069 191 R CA -0.491 55.553 56.100 -0.093 0.000 0.941 191 R CB 0.479 30.722 30.300 -0.094 0.000 0.998 191 R HN 0.688 nan 8.270 nan 0.000 0.452 192 L N 4.378 125.505 121.223 -0.161 0.000 2.385 192 L HA 0.541 4.881 4.340 0.001 0.000 0.273 192 L C -0.840 175.860 176.870 -0.283 0.000 0.990 192 L CA -0.045 54.683 54.840 -0.186 0.000 0.821 192 L CB 2.270 44.262 42.059 -0.111 0.000 1.279 192 L HN 0.835 nan 8.230 nan 0.000 0.412 193 T N 1.773 116.123 114.554 -0.340 0.000 2.865 193 T HA 0.855 5.206 4.350 0.001 0.000 0.294 193 T C -0.650 173.908 174.700 -0.235 0.000 1.119 193 T CA -0.228 61.594 62.100 -0.463 0.000 1.007 193 T CB 1.511 69.832 68.868 -0.912 0.000 1.225 193 T HN 0.957 nan 8.240 nan 0.000 0.515 194 V N -1.402 118.430 119.914 -0.137 0.000 3.040 194 V HA 0.834 4.955 4.120 0.001 0.000 0.312 194 V C -1.559 174.599 176.094 0.106 0.000 1.115 194 V CA -0.928 61.365 62.300 -0.012 0.000 0.998 194 V CB 1.925 33.742 31.823 -0.010 0.000 1.042 194 V HN 1.040 nan 8.190 nan 0.000 0.433 195 D N 2.104 122.584 120.400 0.133 0.000 2.414 195 D HA 0.719 5.359 4.640 0.001 0.000 0.232 195 D C 0.532 176.954 176.300 0.203 0.000 1.070 195 D CA 0.104 54.222 54.000 0.197 0.000 0.839 195 D CB 1.869 42.784 40.800 0.193 0.000 1.079 195 D HN 0.903 nan 8.370 nan 0.000 0.521 196 A N 4.101 127.060 122.820 0.231 0.000 2.238 196 A HA 0.078 4.399 4.320 0.001 0.000 0.210 196 A C 1.133 178.910 177.584 0.321 0.000 1.179 196 A CA 0.233 52.458 52.037 0.313 0.000 0.827 196 A CB -0.624 18.529 19.000 0.255 0.000 0.856 196 A HN 0.861 nan 8.150 nan 0.000 0.488 197 N N -0.119 118.731 118.700 0.250 0.000 2.727 197 N HA -0.230 4.511 4.740 0.001 0.000 0.249 197 N C -0.145 175.488 175.510 0.205 0.000 1.048 197 N CA 0.526 53.702 53.050 0.210 0.000 0.714 197 N CB -1.081 37.508 38.487 0.171 0.000 0.959 197 N HN 0.337 nan 8.380 nan 0.000 0.544 198 S N -2.721 113.128 115.700 0.248 0.000 3.521 198 S HA -0.242 4.228 4.470 0.001 0.000 0.362 198 S C 0.872 175.583 174.600 0.184 0.000 1.044 198 S CA 0.887 59.232 58.200 0.242 0.000 1.091 198 S CB -1.402 61.948 63.200 0.250 0.000 0.908 198 S HN 0.826 nan 8.310 nan 0.000 0.473 199 A N -1.441 121.486 122.820 0.178 0.000 2.348 199 A HA 0.538 4.859 4.320 0.001 0.000 0.224 199 A C 0.239 177.721 177.584 -0.171 0.000 1.227 199 A CA 0.195 52.217 52.037 -0.024 0.000 0.885 199 A CB 0.266 19.190 19.000 -0.127 0.000 0.933 199 A HN 0.526 nan 8.150 nan 0.000 0.506 200 Y N -0.511 119.821 120.300 0.054 0.000 2.631 200 Y HA 0.590 5.141 4.550 0.001 0.000 0.328 200 Y C 0.914 176.816 175.900 0.003 0.000 1.118 200 Y CA -0.044 58.074 58.100 0.030 0.000 1.206 200 Y CB 1.564 40.041 38.460 0.028 0.000 1.337 200 Y HN 0.128 nan 8.280 nan 0.000 0.515 201 T N -2.871 111.789 114.554 0.177 0.000 2.838 201 T HA 0.381 4.732 4.350 0.001 0.000 0.292 201 T C 0.289 175.021 174.700 0.053 0.000 1.113 201 T CA -0.861 61.282 62.100 0.071 0.000 1.008 201 T CB 0.752 69.646 68.868 0.044 0.000 1.259 201 T HN 0.564 nan 8.240 nan 0.000 0.520 202 L N 0.623 121.850 121.223 0.008 0.000 2.265 202 L HA 0.085 4.425 4.340 0.001 0.000 0.215 202 L C 2.932 179.811 176.870 0.015 0.000 1.117 202 L CA 1.271 56.108 54.840 -0.005 0.000 0.782 202 L CB -0.660 41.386 42.059 -0.021 0.000 0.914 202 L HN 0.943 nan 8.230 nan 0.000 0.441 203 A N -0.890 121.948 122.820 0.029 0.000 2.168 203 A HA -0.147 4.174 4.320 0.001 0.000 0.215 203 A C 1.619 179.235 177.584 0.053 0.000 1.152 203 A CA 1.181 53.238 52.037 0.034 0.000 0.716 203 A CB -0.250 18.770 19.000 0.032 0.000 0.794 203 A HN 0.321 nan 8.150 nan 0.000 0.465 204 D N -0.104 120.346 120.400 0.083 0.000 2.340 204 D HA 0.227 4.867 4.640 0.001 0.000 0.220 204 D C 1.944 178.276 176.300 0.054 0.000 1.039 204 D CA 0.777 54.851 54.000 0.123 0.000 0.866 204 D CB 0.086 41.063 40.800 0.295 0.000 0.913 204 D HN 0.420 nan 8.370 nan 0.000 0.523 205 A N 1.180 124.013 122.820 0.022 0.000 1.903 205 A HA -0.165 4.156 4.320 0.001 0.000 0.219 205 A C 2.371 179.951 177.584 -0.005 0.000 1.191 205 A CA 2.180 54.213 52.037 -0.006 0.000 0.638 205 A CB -1.132 17.863 19.000 -0.007 0.000 0.823 205 A HN 0.320 nan 8.150 nan 0.000 0.451 206 G N -0.836 107.970 108.800 0.009 0.000 2.422 206 G HA2 -0.263 3.697 3.960 0.001 0.000 0.218 206 G HA3 -0.263 3.697 3.960 0.001 0.000 0.218 206 G C 1.703 176.611 174.900 0.013 0.000 1.146 206 G CA 1.379 46.484 45.100 0.009 0.000 0.769 206 G HN 0.543 nan 8.290 nan 0.000 0.547 207 R N 0.457 120.974 120.500 0.029 0.000 2.066 207 R HA 0.146 4.487 4.340 0.001 0.000 0.232 207 R C 2.557 178.859 176.300 0.003 0.000 1.131 207 R CA 1.063 57.187 56.100 0.039 0.000 0.955 207 R CB -0.908 29.446 30.300 0.091 0.000 0.851 207 R HN 0.381 nan 8.270 nan 0.000 0.432 208 L N 0.143 121.339 121.223 -0.045 0.000 2.083 208 L HA -0.110 4.230 4.340 0.001 0.000 0.209 208 L C 2.708 179.546 176.870 -0.053 0.000 1.083 208 L CA 1.750 56.526 54.840 -0.105 0.000 0.752 208 L CB -0.448 41.501 42.059 -0.184 0.000 0.899 208 L HN 0.249 nan 8.230 nan 0.000 0.433 209 R N 0.276 120.757 120.500 -0.032 0.000 2.152 209 R HA -0.186 4.155 4.340 0.001 0.000 0.232 209 R C 2.183 178.471 176.300 -0.020 0.000 1.117 209 R CA 1.191 57.276 56.100 -0.025 0.000 0.981 209 R CB -0.080 30.208 30.300 -0.020 0.000 0.870 209 R HN 0.441 nan 8.270 nan 0.000 0.451 210 Q N 0.152 119.950 119.800 -0.004 0.000 2.368 210 Q HA -0.138 4.202 4.340 0.001 0.000 0.210 210 Q C 1.850 177.886 176.000 0.061 0.000 0.982 210 Q CA 1.070 56.883 55.803 0.017 0.000 0.884 210 Q CB -0.005 28.758 28.738 0.042 0.000 0.933 210 Q HN 0.444 nan 8.270 nan 0.000 0.460 211 L N 0.227 121.484 121.223 0.056 0.000 2.291 211 L HA -0.131 4.209 4.340 0.001 0.000 0.214 211 L C 1.385 178.294 176.870 0.064 0.000 1.120 211 L CA 0.342 55.257 54.840 0.125 0.000 0.799 211 L CB -0.253 41.831 42.059 0.042 0.000 0.925 211 L HN 0.111 nan 8.230 nan 0.000 0.446 212 D N 0.930 121.315 120.400 -0.025 0.000 2.149 212 D HA -0.232 4.409 4.640 0.001 0.000 0.198 212 D C 1.958 178.181 176.300 -0.129 0.000 0.990 212 D CA 1.553 55.518 54.000 -0.059 0.000 0.839 212 D CB -0.032 40.733 40.800 -0.058 0.000 0.948 212 D HN 0.589 nan 8.370 nan 0.000 0.460 213 E N -0.556 119.476 120.200 -0.279 0.000 2.418 213 E HA -0.163 4.187 4.350 0.001 0.000 0.197 213 E C 0.864 177.163 176.600 -0.502 0.000 1.026 213 E CA 0.662 56.805 56.400 -0.429 0.000 0.862 213 E CB -0.408 28.952 29.700 -0.568 0.000 0.799 213 E HN 0.427 nan 8.360 nan 0.000 0.518 214 Y N 1.323 121.600 120.300 -0.038 0.000 2.493 214 Y HA 0.125 4.676 4.550 0.001 0.000 0.275 214 Y C -0.246 175.628 175.900 -0.043 0.000 1.183 214 Y CA -0.390 57.685 58.100 -0.040 0.000 1.258 214 Y CB 0.313 38.743 38.460 -0.050 0.000 1.108 214 Y HN -0.104 nan 8.280 nan 0.000 0.521 215 D N 1.028 121.446 120.400 0.031 0.000 2.697 215 D HA -0.205 4.436 4.640 0.001 0.000 0.238 215 D C -0.400 175.898 176.300 -0.002 0.000 1.152 215 D CA 0.656 54.659 54.000 0.006 0.000 0.666 215 D CB -1.178 39.623 40.800 0.002 0.000 1.037 215 D HN 0.382 nan 8.370 nan 0.000 0.423 216 L N 0.004 121.221 121.223 -0.010 0.000 2.439 216 L HA 0.063 4.403 4.340 0.001 0.000 0.269 216 L C 2.197 179.010 176.870 -0.095 0.000 1.179 216 L CA -0.100 54.696 54.840 -0.073 0.000 0.828 216 L CB 0.445 42.457 42.059 -0.078 0.000 1.106 216 L HN -0.034 nan 8.230 nan 0.000 0.467 217 T N 0.491 114.927 114.554 -0.197 0.000 2.867 217 T HA -0.036 4.314 4.350 0.001 0.000 0.268 217 T C -0.517 174.158 174.700 -0.043 0.000 1.057 217 T CA 1.282 63.286 62.100 -0.159 0.000 1.136 217 T CB -0.148 68.566 68.868 -0.256 0.000 0.874 217 T HN 0.603 nan 8.240 nan 0.000 0.466 218 Y N -1.947 118.342 120.300 -0.018 0.000 2.687 218 Y HA 0.587 5.137 4.550 0.001 0.000 0.338 218 Y C -1.990 173.920 175.900 0.017 0.000 1.189 218 Y CA -2.308 55.800 58.100 0.013 0.000 1.097 218 Y CB 0.382 38.874 38.460 0.052 0.000 1.342 218 Y HN -0.140 nan 8.280 nan 0.000 0.461 219 I N 2.179 122.914 120.570 0.275 0.000 2.362 219 I HA 0.312 4.483 4.170 0.001 0.000 0.289 219 I C -0.334 175.958 176.117 0.291 0.000 0.994 219 I CA -0.665 60.762 61.300 0.211 0.000 1.158 219 I CB 1.765 39.814 38.000 0.081 0.000 1.315 219 I HN 0.681 nan 8.210 nan 0.000 0.451 220 E N 5.888 126.285 120.200 0.329 0.000 2.194 220 E HA 0.078 4.428 4.350 0.001 0.000 0.284 220 E C -0.193 176.539 176.600 0.220 0.000 1.035 220 E CA -0.557 56.015 56.400 0.286 0.000 0.836 220 E CB 0.619 30.544 29.700 0.375 0.000 1.070 220 E HN 0.471 nan 8.360 nan 0.000 0.401 221 Q N 3.876 123.770 119.800 0.157 0.000 2.413 221 Q HA -0.175 4.165 4.340 0.001 0.000 0.364 221 Q C -1.941 174.269 176.000 0.350 0.000 1.359 221 Q CA 0.602 56.520 55.803 0.190 0.000 1.097 221 Q CB -0.152 28.663 28.738 0.128 0.000 1.286 221 Q HN 0.514 nan 8.270 nan 0.000 0.358 222 P HA -0.135 nan 4.420 nan 0.000 0.219 222 P C 0.269 177.722 177.300 0.254 0.000 1.150 222 P CA 1.131 64.394 63.100 0.271 0.000 0.814 222 P CB 0.302 32.042 31.700 0.066 0.000 0.787 223 L N -1.245 120.052 121.223 0.123 0.000 2.693 223 L HA 0.596 4.937 4.340 0.001 0.000 0.253 223 L C 0.829 177.807 176.870 0.180 0.000 1.155 223 L CA -1.614 53.199 54.840 -0.044 0.000 1.026 223 L CB -0.371 41.366 42.059 -0.536 0.000 1.817 223 L HN -0.241 nan 8.230 nan 0.000 0.556 224 A N 0.441 123.310 122.820 0.081 0.000 2.561 224 A HA -0.074 4.247 4.320 0.001 0.000 0.234 224 A C 0.915 178.556 177.584 0.096 0.000 1.055 224 A CA 0.009 52.090 52.037 0.074 0.000 0.756 224 A CB -0.220 18.740 19.000 -0.067 0.000 0.986 224 A HN 0.874 nan 8.150 nan 0.000 0.505 225 W N 2.516 123.851 121.300 0.059 0.000 2.350 225 W HA -0.154 4.507 4.660 0.001 0.000 0.289 225 W C 0.067 176.570 176.519 -0.028 0.000 1.215 225 W CA 1.393 58.739 57.345 0.002 0.000 1.236 225 W CB -0.563 28.858 29.460 -0.064 0.000 1.130 225 W HN 0.761 nan 8.180 nan 0.000 0.541 226 D N 0.185 120.024 120.400 -0.936 0.000 2.368 226 D HA 0.047 4.687 4.640 0.001 0.000 0.218 226 D C -0.682 175.367 176.300 -0.418 0.000 1.112 226 D CA -0.295 53.180 54.000 -0.874 0.000 0.834 226 D CB -0.667 39.186 40.800 -1.578 0.000 0.953 226 D HN 0.135 nan 8.370 nan 0.000 0.505 227 D N -0.194 120.073 120.400 -0.221 0.000 2.210 227 D HA 0.319 4.960 4.640 0.001 0.000 0.249 227 D C 0.789 177.104 176.300 0.025 0.000 1.062 227 D CA -0.573 53.390 54.000 -0.063 0.000 0.891 227 D CB 1.449 42.268 40.800 0.031 0.000 1.186 227 D HN -0.056 nan 8.370 nan 0.000 0.432 228 L N 2.733 123.956 121.223 -0.000 0.000 2.624 228 L HA 0.110 4.451 4.340 0.001 0.000 0.222 228 L C 1.975 178.873 176.870 0.046 0.000 1.046 228 L CA -0.165 54.680 54.840 0.009 0.000 0.872 228 L CB 0.010 42.038 42.059 -0.052 0.000 1.190 228 L HN 0.374 nan 8.230 nan 0.000 0.487 229 V N 0.480 120.400 119.914 0.010 0.000 2.295 229 V HA -0.259 3.862 4.120 0.001 0.000 0.246 229 V C 1.971 178.067 176.094 0.003 0.000 1.049 229 V CA 2.040 64.340 62.300 -0.000 0.000 1.024 229 V CB -0.341 31.471 31.823 -0.018 0.000 0.648 229 V HN 0.396 nan 8.190 nan 0.000 0.447 230 D N -1.474 118.920 120.400 -0.011 0.000 2.144 230 D HA -0.127 4.514 4.640 0.001 0.000 0.200 230 D C 2.107 178.359 176.300 -0.079 0.000 0.978 230 D CA 1.001 54.968 54.000 -0.056 0.000 0.833 230 D CB -0.332 40.410 40.800 -0.096 0.000 0.961 230 D HN 0.504 nan 8.370 nan 0.000 0.470 231 H N 0.708 119.762 119.070 -0.026 0.000 2.352 231 H HA -0.077 4.480 4.556 0.001 0.000 0.299 231 H C 2.079 177.393 175.328 -0.023 0.000 1.097 231 H CA 1.439 57.474 56.048 -0.021 0.000 1.311 231 H CB -0.093 29.652 29.762 -0.027 0.000 1.377 231 H HN 0.097 nan 8.280 nan 0.000 0.504 232 A N 1.141 124.013 122.820 0.086 0.000 1.892 232 A HA -0.257 4.064 4.320 0.001 0.000 0.218 232 A C 2.396 179.989 177.584 0.014 0.000 1.188 232 A CA 2.130 54.187 52.037 0.033 0.000 0.631 232 A CB -0.416 18.591 19.000 0.013 0.000 0.822 232 A HN 0.404 nan 8.150 nan 0.000 0.447 233 E N -0.213 119.988 120.200 0.001 0.000 2.051 233 E HA -0.170 4.181 4.350 0.001 0.000 0.192 233 E C 1.805 178.397 176.600 -0.013 0.000 0.991 233 E CA 1.433 57.827 56.400 -0.010 0.000 0.799 233 E CB -0.489 29.199 29.700 -0.020 0.000 0.748 233 E HN 0.439 nan 8.360 nan 0.000 0.449 234 L N 0.414 121.623 121.223 -0.024 0.000 2.046 234 L HA -0.021 4.320 4.340 0.001 0.000 0.208 234 L C 2.233 179.101 176.870 -0.004 0.000 1.077 234 L CA 2.311 57.134 54.840 -0.028 0.000 0.747 234 L CB -1.014 41.005 42.059 -0.065 0.000 0.896 234 L HN 0.187 nan 8.230 nan 0.000 0.432 235 A N -0.378 122.452 122.820 0.017 0.000 2.024 235 A HA -0.230 4.090 4.320 0.001 0.000 0.220 235 A C 2.369 179.959 177.584 0.010 0.000 1.164 235 A CA 1.844 53.894 52.037 0.021 0.000 0.643 235 A CB -0.609 18.408 19.000 0.029 0.000 0.806 235 A HN 0.577 nan 8.150 nan 0.000 0.451 236 R N -1.005 119.498 120.500 0.005 0.000 2.193 236 R HA 0.045 4.386 4.340 0.001 0.000 0.213 236 R C 1.932 178.231 176.300 -0.002 0.000 1.055 236 R CA 0.865 56.966 56.100 0.002 0.000 0.995 236 R CB -0.090 30.211 30.300 0.001 0.000 0.893 236 R HN 0.448 nan 8.270 nan 0.000 0.459 237 R N 0.588 121.085 120.500 -0.005 0.000 2.254 237 R HA 0.190 4.531 4.340 0.001 0.000 0.195 237 R C 1.033 177.326 176.300 -0.010 0.000 0.957 237 R CA 0.476 56.571 56.100 -0.008 0.000 1.024 237 R CB 0.250 30.543 30.300 -0.011 0.000 0.952 237 R HN 0.243 nan 8.270 nan 0.000 0.484 238 I N -3.384 117.181 120.570 -0.009 0.000 2.934 238 I HA 0.371 4.542 4.170 0.001 0.000 0.306 238 I C 0.324 176.438 176.117 -0.005 0.000 1.110 238 I CA -1.114 60.179 61.300 -0.012 0.000 1.019 238 I CB 2.474 40.463 38.000 -0.018 0.000 1.227 238 I HN -0.265 nan 8.210 nan 0.000 0.434 239 R N 0.717 121.212 120.500 -0.009 0.000 2.265 239 R HA 0.185 4.525 4.340 0.001 0.000 0.194 239 R C 0.058 176.360 176.300 0.004 0.000 0.931 239 R CA 0.165 56.262 56.100 -0.004 0.000 1.032 239 R CB 0.161 30.453 30.300 -0.012 0.000 0.980 239 R HN 0.669 nan 8.270 nan 0.000 0.497 240 T N 3.835 118.391 114.554 0.004 0.000 2.853 240 T HA 0.123 4.474 4.350 0.001 0.000 0.298 240 T C -2.356 172.368 174.700 0.041 0.000 0.978 240 T CA -1.030 61.080 62.100 0.017 0.000 1.152 240 T CB 1.085 69.959 68.868 0.010 0.000 0.914 240 T HN -0.070 nan 8.240 nan 0.000 0.539 241 P HA 0.146 nan 4.420 nan 0.000 0.266 241 P C -0.519 176.855 177.300 0.124 0.000 1.195 241 P CA -0.160 62.993 63.100 0.089 0.000 0.768 241 P CB 0.405 32.175 31.700 0.116 0.000 0.838 242 L N 2.544 123.824 121.223 0.096 0.000 2.307 242 L HA 0.411 4.751 4.340 0.001 0.000 0.282 242 L C 0.365 177.266 176.870 0.052 0.000 1.051 242 L CA -0.680 54.222 54.840 0.103 0.000 0.804 242 L CB 1.335 43.458 42.059 0.105 0.000 1.197 242 L HN 0.428 nan 8.230 nan 0.000 0.431 243 C N 5.135 124.464 119.300 0.047 0.000 2.329 243 C HA 0.572 5.033 4.460 0.001 0.000 0.329 243 C C -0.043 174.884 174.990 -0.104 0.000 1.275 243 C CA -0.719 58.245 59.018 -0.090 0.000 1.726 243 C CB 0.282 27.864 27.740 -0.264 0.000 2.291 243 C HN 0.539 nan 8.230 nan 0.000 0.514 244 L N 5.635 126.753 121.223 -0.176 0.000 2.334 244 L HA 0.464 4.804 4.340 0.001 0.000 0.277 244 L C 0.618 177.380 176.870 -0.179 0.000 1.075 244 L CA 0.651 55.366 54.840 -0.208 0.000 0.804 244 L CB 1.187 43.110 42.059 -0.227 0.000 1.174 244 L HN 0.844 nan 8.230 nan 0.000 0.438 245 D N 0.733 121.063 120.400 -0.117 0.000 3.051 245 D HA 0.009 4.650 4.640 0.001 0.000 0.216 245 D C 1.157 177.449 176.300 -0.013 0.000 1.454 245 D CA 0.286 54.249 54.000 -0.061 0.000 1.400 245 D CB 0.407 41.233 40.800 0.042 0.000 0.975 245 D HN 0.462 nan 8.370 nan 0.000 0.212 246 E N 0.076 120.300 120.200 0.041 0.000 2.333 246 E HA -0.050 4.300 4.350 0.001 0.000 0.198 246 E C 1.641 178.285 176.600 0.075 0.000 1.007 246 E CA 1.152 57.585 56.400 0.055 0.000 0.845 246 E CB -0.044 29.713 29.700 0.095 0.000 0.766 246 E HN 0.259 nan 8.360 nan 0.000 0.507 247 S N -0.739 114.956 115.700 -0.009 0.000 2.575 247 S HA 0.113 4.584 4.470 0.001 0.000 0.215 247 S C 0.539 175.095 174.600 -0.073 0.000 0.966 247 S CA -0.415 57.746 58.200 -0.065 0.000 0.911 247 S CB 0.392 63.515 63.200 -0.128 0.000 0.780 247 S HN -0.061 nan 8.310 nan 0.000 0.514 248 V N 2.090 121.964 119.914 -0.065 0.000 2.275 248 V HA 0.706 4.826 4.120 0.001 0.000 0.272 248 V C 0.546 176.620 176.094 -0.033 0.000 1.028 248 V CA -0.075 62.184 62.300 -0.069 0.000 0.810 248 V CB 0.388 32.146 31.823 -0.109 0.000 1.043 248 V HN 0.466 nan 8.190 nan 0.000 0.453 249 A N 3.682 126.493 122.820 -0.014 0.000 2.538 249 A HA 0.706 5.027 4.320 0.001 0.000 0.269 249 A C 0.569 178.157 177.584 0.007 0.000 1.231 249 A CA 0.477 52.520 52.037 0.010 0.000 0.948 249 A CB 0.240 19.261 19.000 0.035 0.000 1.110 249 A HN 0.983 nan 8.150 nan 0.000 0.529 250 S N -3.197 112.499 115.700 -0.006 0.000 2.627 250 S HA 0.564 5.035 4.470 0.001 0.000 0.268 250 S C 0.710 175.308 174.600 -0.004 0.000 1.130 250 S CA 0.152 58.353 58.200 0.002 0.000 0.819 250 S CB 0.672 63.876 63.200 0.007 0.000 1.100 250 S HN 1.146 nan 8.310 nan 0.000 0.465 251 A N 1.686 124.513 122.820 0.011 0.000 1.933 251 A HA 0.041 4.362 4.320 0.001 0.000 0.218 251 A C 2.332 179.924 177.584 0.014 0.000 1.175 251 A CA 2.323 54.370 52.037 0.017 0.000 0.628 251 A CB -1.516 17.507 19.000 0.037 0.000 0.814 251 A HN 1.726 nan 8.150 nan 0.000 0.444 252 S N 0.207 115.914 115.700 0.012 0.000 2.383 252 S HA -0.162 4.309 4.470 0.001 0.000 0.227 252 S C 1.371 175.963 174.600 -0.012 0.000 1.026 252 S CA 1.292 59.498 58.200 0.010 0.000 0.981 252 S CB -0.502 62.705 63.200 0.012 0.000 0.818 252 S HN 0.485 nan 8.310 nan 0.000 0.472 253 D N 2.606 122.991 120.400 -0.025 0.000 2.149 253 D HA 0.013 4.653 4.640 0.001 0.000 0.198 253 D C 2.216 178.469 176.300 -0.079 0.000 0.990 253 D CA 1.492 55.462 54.000 -0.050 0.000 0.839 253 D CB -0.648 40.122 40.800 -0.049 0.000 0.948 253 D HN 0.579 nan 8.370 nan 0.000 0.460 254 A N 0.953 123.728 122.820 -0.075 0.000 1.897 254 A HA -0.152 4.169 4.320 0.001 0.000 0.215 254 A C 2.179 179.659 177.584 -0.173 0.000 1.181 254 A CA 1.154 53.118 52.037 -0.122 0.000 0.620 254 A CB -0.346 18.599 19.000 -0.092 0.000 0.821 254 A HN 0.021 nan 8.150 nan 0.000 0.443 255 R N 0.495 120.949 120.500 -0.076 0.000 2.083 255 R HA -0.165 4.176 4.340 0.001 0.000 0.237 255 R C 1.891 178.131 176.300 -0.101 0.000 1.137 255 R CA 2.224 58.310 56.100 -0.023 0.000 0.951 255 R CB -0.458 29.907 30.300 0.109 0.000 0.851 255 R HN 0.579 nan 8.270 nan 0.000 0.434 256 K N -0.178 120.180 120.400 -0.071 0.000 2.057 256 K HA -0.046 4.275 4.320 0.001 0.000 0.206 256 K C 2.200 178.728 176.600 -0.120 0.000 1.050 256 K CA 1.390 57.638 56.287 -0.065 0.000 0.935 256 K CB -0.218 32.255 32.500 -0.045 0.000 0.715 256 K HN 0.233 nan 8.250 nan 0.000 0.439 257 A N 1.489 124.214 122.820 -0.158 0.000 1.865 257 A HA -0.176 4.144 4.320 0.001 0.000 0.217 257 A C 2.144 179.577 177.584 -0.252 0.000 1.191 257 A CA 1.482 53.411 52.037 -0.180 0.000 0.623 257 A CB -0.776 18.113 19.000 -0.186 0.000 0.826 257 A HN 0.168 nan 8.150 nan 0.000 0.444 258 L N -1.076 119.881 121.223 -0.444 0.000 2.093 258 L HA -0.130 4.210 4.340 0.001 0.000 0.208 258 L C 3.037 179.602 176.870 -0.508 0.000 1.085 258 L CA 1.008 55.442 54.840 -0.678 0.000 0.755 258 L CB -0.508 40.707 42.059 -1.407 0.000 0.904 258 L HN 0.434 nan 8.230 nan 0.000 0.435 259 A N -0.095 122.507 122.820 -0.364 0.000 1.968 259 A HA -0.054 4.267 4.320 0.001 0.000 0.217 259 A C 2.173 179.761 177.584 0.006 0.000 1.169 259 A CA 0.979 53.032 52.037 0.026 0.000 0.638 259 A CB -0.522 18.579 19.000 0.169 0.000 0.812 259 A HN 0.356 nan 8.150 nan 0.000 0.446 260 L N -0.916 120.281 121.223 -0.045 0.000 2.465 260 L HA 0.084 4.425 4.340 0.001 0.000 0.224 260 L C 1.651 178.507 176.870 -0.025 0.000 1.145 260 L CA 0.586 55.410 54.840 -0.025 0.000 0.834 260 L CB -0.379 41.660 42.059 -0.032 0.000 0.944 260 L HN 0.581 nan 8.230 nan 0.000 0.451 261 G N -0.282 108.489 108.800 -0.048 0.000 2.198 261 G HA2 -0.328 3.633 3.960 0.001 0.000 0.257 261 G HA3 -0.328 3.633 3.960 0.001 0.000 0.257 261 G C 0.958 175.842 174.900 -0.027 0.000 1.042 261 G CA 0.389 45.469 45.100 -0.034 0.000 0.791 261 G HN 0.447 nan 8.290 nan 0.000 0.502 262 A N -1.103 121.688 122.820 -0.047 0.000 2.067 262 A HA 0.561 4.882 4.320 0.001 0.000 0.219 262 A C 1.726 179.295 177.584 -0.025 0.000 1.158 262 A CA 1.933 53.960 52.037 -0.016 0.000 0.661 262 A CB 0.114 19.086 19.000 -0.045 0.000 0.801 262 A HN 2.269 nan 8.150 nan 0.000 0.452 263 G N -4.203 104.557 108.800 -0.066 0.000 2.495 263 G HA2 0.454 4.415 3.960 0.001 0.000 0.294 263 G HA3 0.454 4.415 3.960 0.001 0.000 0.294 263 G C 0.143 175.000 174.900 -0.072 0.000 1.397 263 G CA 0.214 45.280 45.100 -0.057 0.000 0.790 263 G HN 0.702 nan 8.290 nan 0.000 0.486 264 G N -1.457 107.318 108.800 -0.042 0.000 3.274 264 G HA2 0.501 4.462 3.960 0.001 0.000 0.250 264 G HA3 0.501 4.462 3.960 0.001 0.000 0.250 264 G C -0.356 174.522 174.900 -0.036 0.000 1.024 264 G CA 0.477 45.558 45.100 -0.032 0.000 0.840 264 G HN 1.103 nan 8.290 nan 0.000 0.522 265 V N 0.892 120.766 119.914 -0.067 0.000 2.932 265 V HA 0.527 4.647 4.120 0.001 0.000 0.307 265 V C -1.118 174.876 176.094 -0.167 0.000 1.147 265 V CA -0.803 61.446 62.300 -0.086 0.000 0.951 265 V CB 2.360 34.127 31.823 -0.092 0.000 1.031 265 V HN 0.098 nan 8.190 nan 0.000 0.426 266 I N 3.000 123.442 120.570 -0.215 0.000 2.418 266 I HA 0.378 4.548 4.170 0.001 0.000 0.287 266 I C -0.300 175.471 176.117 -0.577 0.000 1.008 266 I CA -0.551 60.559 61.300 -0.316 0.000 1.104 266 I CB 1.945 39.784 38.000 -0.268 0.000 1.264 266 I HN 0.643 nan 8.210 nan 0.000 0.438 267 N N 7.244 125.491 118.700 -0.755 0.000 2.400 267 N HA 0.067 4.808 4.740 0.001 0.000 0.267 267 N C -1.166 173.931 175.510 -0.688 0.000 1.208 267 N CA -0.215 52.058 53.050 -1.295 0.000 0.951 267 N CB 0.655 38.486 38.487 -1.093 0.000 1.227 267 N HN 0.401 nan 8.380 nan 0.000 0.488 268 L N 3.945 124.827 121.223 -0.569 0.000 2.255 268 L HA 0.411 4.751 4.340 0.001 0.000 0.289 268 L C -0.360 176.432 176.870 -0.130 0.000 1.046 268 L CA -0.123 54.568 54.840 -0.249 0.000 0.816 268 L CB 0.252 42.213 42.059 -0.163 0.000 1.197 268 L HN 0.378 nan 8.230 nan 0.000 0.427 269 K N 4.255 124.595 120.400 -0.100 0.000 2.339 269 K HA 0.232 4.552 4.320 0.001 0.000 0.264 269 K C 0.714 177.291 176.600 -0.038 0.000 0.986 269 K CA -0.440 55.810 56.287 -0.062 0.000 0.866 269 K CB 2.297 34.758 32.500 -0.064 0.000 1.103 269 K HN 0.538 nan 8.250 nan 0.000 0.441 270 V N 3.332 123.219 119.914 -0.046 0.000 2.287 270 V HA -0.295 3.826 4.120 0.001 0.000 0.248 270 V C 1.831 177.855 176.094 -0.117 0.000 1.053 270 V CA 2.788 65.029 62.300 -0.098 0.000 1.027 270 V CB -0.163 31.546 31.823 -0.190 0.000 0.646 270 V HN 0.942 nan 8.190 nan 0.000 0.447 271 A N -0.256 122.502 122.820 -0.103 0.000 1.968 271 A HA -0.146 4.175 4.320 0.001 0.000 0.217 271 A C 2.400 179.972 177.584 -0.019 0.000 1.169 271 A CA 1.514 53.504 52.037 -0.079 0.000 0.638 271 A CB -0.659 18.294 19.000 -0.078 0.000 0.812 271 A HN 0.576 nan 8.150 nan 0.000 0.446 272 R N 0.269 120.776 120.500 0.011 0.000 2.120 272 R HA -0.121 4.220 4.340 0.001 0.000 0.234 272 R C 1.737 178.059 176.300 0.036 0.000 1.123 272 R CA 1.989 58.127 56.100 0.063 0.000 0.975 272 R CB -0.287 30.083 30.300 0.116 0.000 0.866 272 R HN 0.538 nan 8.270 nan 0.000 0.446 273 V N -3.529 116.390 119.914 0.009 0.000 3.649 273 V HA 0.389 4.509 4.120 0.001 0.000 0.275 273 V C 0.869 176.966 176.094 0.005 0.000 1.281 273 V CA 0.770 63.074 62.300 0.007 0.000 1.143 273 V CB 0.488 32.311 31.823 -0.001 0.000 0.892 273 V HN 0.429 nan 8.190 nan 0.000 0.441 274 G N -1.543 107.252 108.800 -0.007 0.000 2.154 274 G HA2 0.355 4.315 3.960 0.001 0.000 0.186 274 G HA3 0.355 4.315 3.960 0.001 0.000 0.186 274 G C 0.938 175.823 174.900 -0.025 0.000 1.000 274 G CA -0.042 45.051 45.100 -0.010 0.000 0.664 274 G HN 2.265 nan 8.290 nan 0.000 0.513 275 G N -1.650 107.111 108.800 -0.064 0.000 2.373 275 G HA2 0.199 4.160 3.960 0.001 0.000 0.634 275 G HA3 0.199 4.160 3.960 0.001 0.000 0.634 275 G C 0.286 175.119 174.900 -0.112 0.000 1.267 275 G CA 0.413 45.442 45.100 -0.118 0.000 1.008 275 G HN 0.573 nan 8.290 nan 0.000 0.497 276 H N -0.117 118.948 119.070 -0.008 0.000 2.353 276 H HA -0.002 4.555 4.556 0.001 0.000 0.300 276 H C 3.088 178.343 175.328 -0.122 0.000 1.090 276 H CA 2.511 58.445 56.048 -0.190 0.000 1.327 276 H CB -0.545 28.836 29.762 -0.634 0.000 1.383 276 H HN 0.760 nan 8.280 nan 0.000 0.508 277 A N 1.069 124.021 122.820 0.221 0.000 1.877 277 A HA -0.195 4.125 4.320 0.001 0.000 0.216 277 A C 2.400 180.064 177.584 0.133 0.000 1.186 277 A CA 1.909 54.092 52.037 0.242 0.000 0.620 277 A CB -0.333 18.899 19.000 0.387 0.000 0.822 277 A HN 0.340 nan 8.150 nan 0.000 0.443 278 E N 0.097 120.362 120.200 0.108 0.000 2.106 278 E HA -0.083 4.268 4.350 0.001 0.000 0.192 278 E C 2.195 178.830 176.600 0.058 0.000 0.984 278 E CA 1.398 57.840 56.400 0.070 0.000 0.806 278 E CB -0.280 29.449 29.700 0.047 0.000 0.750 278 E HN 0.476 nan 8.360 nan 0.000 0.458 279 S N -0.057 115.674 115.700 0.052 0.000 2.370 279 S HA -0.186 4.285 4.470 0.001 0.000 0.226 279 S C 1.913 176.575 174.600 0.104 0.000 1.033 279 S CA 1.376 59.617 58.200 0.069 0.000 1.011 279 S CB -0.307 62.937 63.200 0.073 0.000 0.852 279 S HN 0.285 nan 8.310 nan 0.000 0.457 280 R N 0.972 121.515 120.500 0.072 0.000 2.096 280 R HA -0.028 4.313 4.340 0.001 0.000 0.235 280 R C 2.360 178.733 176.300 0.121 0.000 1.127 280 R CA 1.209 57.341 56.100 0.052 0.000 0.968 280 R CB -0.075 30.213 30.300 -0.019 0.000 0.861 280 R HN 0.303 nan 8.270 nan 0.000 0.440 281 R N -0.364 120.196 120.500 0.100 0.000 2.096 281 R HA -0.073 4.267 4.340 0.001 0.000 0.235 281 R C 2.278 178.632 176.300 0.090 0.000 1.127 281 R CA 1.430 57.588 56.100 0.097 0.000 0.968 281 R CB -0.295 30.051 30.300 0.077 0.000 0.861 281 R HN 0.085 nan 8.270 nan 0.000 0.440 282 V N 0.423 120.381 119.914 0.072 0.000 2.295 282 V HA -0.297 3.823 4.120 0.001 0.000 0.246 282 V C 2.260 178.373 176.094 0.031 0.000 1.049 282 V CA 2.284 64.603 62.300 0.031 0.000 1.024 282 V CB -0.681 31.139 31.823 -0.005 0.000 0.648 282 V HN 0.445 nan 8.190 nan 0.000 0.447 283 H N 0.324 119.360 119.070 -0.057 0.000 2.353 283 H HA -0.212 4.345 4.556 0.001 0.000 0.298 283 H C 1.984 177.293 175.328 -0.032 0.000 1.103 283 H CA 2.258 58.249 56.048 -0.096 0.000 1.293 283 H CB -0.032 29.706 29.762 -0.040 0.000 1.372 283 H HN 0.418 nan 8.280 nan 0.000 0.501 284 D N -0.201 120.318 120.400 0.198 0.000 2.149 284 D HA -0.100 4.541 4.640 0.001 0.000 0.201 284 D C 2.449 178.786 176.300 0.062 0.000 0.972 284 D CA 1.036 55.116 54.000 0.133 0.000 0.835 284 D CB -0.214 40.689 40.800 0.173 0.000 0.966 284 D HN 0.311 nan 8.370 nan 0.000 0.476 285 V N 1.596 121.558 119.914 0.080 0.000 2.295 285 V HA -0.231 3.890 4.120 0.001 0.000 0.246 285 V C 2.567 178.781 176.094 0.201 0.000 1.049 285 V CA 1.790 64.171 62.300 0.135 0.000 1.024 285 V CB -0.839 31.061 31.823 0.128 0.000 0.648 285 V HN 0.168 nan 8.190 nan 0.000 0.447 286 A N -0.265 122.592 122.820 0.062 0.000 1.873 286 A HA -0.379 3.942 4.320 0.001 0.000 0.218 286 A C 2.216 179.818 177.584 0.031 0.000 1.193 286 A CA 2.598 54.640 52.037 0.008 0.000 0.629 286 A CB -0.743 18.177 19.000 -0.133 0.000 0.826 286 A HN 0.591 nan 8.150 nan 0.000 0.447 287 Q N 0.627 120.378 119.800 -0.081 0.000 2.112 287 Q HA -0.205 4.136 4.340 0.001 0.000 0.206 287 Q C 2.128 178.127 176.000 -0.002 0.000 0.987 287 Q CA 2.948 58.700 55.803 -0.085 0.000 0.858 287 Q CB -0.441 28.200 28.738 -0.162 0.000 0.905 287 Q HN 0.775 nan 8.270 nan 0.000 0.420 288 S N -1.300 114.413 115.700 0.022 0.000 2.442 288 S HA -0.109 4.362 4.470 0.001 0.000 0.236 288 S C 1.365 175.904 174.600 -0.103 0.000 1.007 288 S CA 0.852 59.028 58.200 -0.040 0.000 0.965 288 S CB -0.458 62.700 63.200 -0.071 0.000 0.773 288 S HN 0.451 nan 8.310 nan 0.000 0.504 289 F N 1.864 121.790 119.950 -0.041 0.000 2.765 289 F HA 0.382 4.910 4.527 0.001 0.000 0.302 289 F C 1.902 177.681 175.800 -0.035 0.000 1.111 289 F CA 0.123 58.102 58.000 -0.035 0.000 1.359 289 F CB -0.107 38.870 39.000 -0.039 0.000 1.097 289 F HN 0.378 nan 8.300 nan 0.000 0.577 290 G N 1.062 109.922 108.800 0.100 0.000 2.225 290 G HA2 -0.168 3.793 3.960 0.001 0.000 0.267 290 G HA3 -0.168 3.793 3.960 0.001 0.000 0.267 290 G C 0.159 175.088 174.900 0.048 0.000 1.024 290 G CA 0.128 45.259 45.100 0.052 0.000 0.784 290 G HN 0.643 nan 8.290 nan 0.000 0.507 291 A N 0.505 123.354 122.820 0.049 0.000 2.305 291 A HA 0.879 5.200 4.320 0.001 0.000 0.322 291 A C -1.560 175.995 177.584 -0.049 0.000 1.187 291 A CA -1.391 50.646 52.037 0.001 0.000 0.825 291 A CB 1.684 20.667 19.000 -0.029 0.000 1.164 291 A HN 0.213 nan 8.150 nan 0.000 0.498 292 P HA 0.440 nan 4.420 nan 0.000 0.279 292 P C -0.329 176.910 177.300 -0.101 0.000 1.252 292 P CA -0.199 62.867 63.100 -0.057 0.000 0.811 292 P CB 1.430 33.145 31.700 0.025 0.000 1.035 293 V N -1.140 118.651 119.914 -0.204 0.000 3.019 293 V HA 0.836 4.957 4.120 0.001 0.000 0.317 293 V C -0.750 175.283 176.094 -0.101 0.000 1.094 293 V CA -0.837 61.288 62.300 -0.292 0.000 1.000 293 V CB 2.133 33.605 31.823 -0.584 0.000 1.060 293 V HN 0.797 nan 8.190 nan 0.000 0.443 294 W N 0.068 121.260 121.300 -0.180 0.000 3.062 294 W HA 0.649 5.310 4.660 0.001 0.000 0.336 294 W C -1.299 175.354 176.519 0.223 0.000 1.224 294 W CA -1.461 55.933 57.345 0.082 0.000 1.159 294 W CB 1.160 30.675 29.460 0.093 0.000 1.454 294 W HN 0.847 nan 8.180 nan 0.000 0.569 295 C N 3.174 122.837 119.300 0.605 0.000 2.322 295 C HA 0.628 5.089 4.460 0.001 0.000 0.343 295 C C 1.173 176.293 174.990 0.217 0.000 1.190 295 C CA 0.441 59.680 59.018 0.369 0.000 1.704 295 C CB -1.176 26.730 27.740 0.276 0.000 2.293 295 C HN 0.770 nan 8.230 nan 0.000 0.523 296 G N 4.204 112.944 108.800 -0.099 0.000 2.606 296 G HA2 0.543 4.504 3.960 0.001 0.000 0.252 296 G HA3 0.543 4.504 3.960 0.001 0.000 0.252 296 G C 0.153 175.056 174.900 0.004 0.000 1.206 296 G CA 0.154 45.197 45.100 -0.095 0.000 0.861 296 G HN 1.139 nan 8.290 nan 0.000 0.561 297 G N -0.713 108.098 108.800 0.018 0.000 2.498 297 G HA2 0.525 4.486 3.960 0.001 0.000 0.312 297 G HA3 0.525 4.486 3.960 0.001 0.000 0.312 297 G C -0.163 174.669 174.900 -0.113 0.000 1.230 297 G CA -0.667 44.414 45.100 -0.032 0.000 0.968 297 G HN 0.413 nan 8.290 nan 0.000 0.481 298 M N 1.791 121.309 119.600 -0.137 0.000 3.470 298 M HA 0.216 4.697 4.480 0.001 0.000 0.454 298 M C 0.066 176.292 176.300 -0.124 0.000 1.631 298 M CA -0.376 54.821 55.300 -0.171 0.000 0.732 298 M CB 0.290 32.770 32.600 -0.199 0.000 1.454 298 M HN 0.496 nan 8.290 nan 0.000 0.521 299 L N 1.447 122.562 121.223 -0.181 0.000 3.634 299 L HA -0.231 4.109 4.340 0.001 0.000 0.423 299 L C -0.301 176.573 176.870 0.007 0.000 1.253 299 L CA 0.808 55.513 54.840 -0.226 0.000 0.885 299 L CB -1.097 40.897 42.059 -0.109 0.000 1.789 299 L HN 0.397 nan 8.230 nan 0.000 0.904 300 E N -0.364 119.830 120.200 -0.009 0.000 2.354 300 E HA 0.494 4.844 4.350 0.001 0.000 0.269 300 E C 0.859 177.652 176.600 0.321 0.000 1.036 300 E CA 0.550 57.027 56.400 0.129 0.000 0.876 300 E CB 0.673 30.401 29.700 0.047 0.000 1.009 300 E HN 0.474 nan 8.360 nan 0.000 0.416 301 S N 1.177 116.972 115.700 0.159 0.000 2.641 301 S HA 0.115 4.586 4.470 0.001 0.000 0.251 301 S C 1.447 176.060 174.600 0.022 0.000 1.332 301 S CA -0.227 57.901 58.200 -0.120 0.000 0.968 301 S CB 0.726 63.716 63.200 -0.350 0.000 0.987 301 S HN 0.617 nan 8.310 nan 0.000 0.587 302 G N -0.162 108.623 108.800 -0.025 0.000 2.471 302 G HA2 -0.035 3.925 3.960 0.001 0.000 0.219 302 G HA3 -0.035 3.925 3.960 0.001 0.000 0.219 302 G C 1.245 176.181 174.900 0.060 0.000 1.125 302 G CA 0.525 45.655 45.100 0.049 0.000 0.775 302 G HN 0.588 nan 8.290 nan 0.000 0.548 303 I N 1.887 122.487 120.570 0.049 0.000 2.076 303 I HA -0.115 4.056 4.170 0.001 0.000 0.237 303 I C 3.053 179.299 176.117 0.214 0.000 1.059 303 I CA 1.670 63.038 61.300 0.113 0.000 1.317 303 I CB -1.541 36.512 38.000 0.088 0.000 1.037 303 I HN 0.229 nan 8.210 nan 0.000 0.398 304 G N 0.308 109.191 108.800 0.138 0.000 2.440 304 G HA2 -0.290 3.671 3.960 0.001 0.000 0.218 304 G HA3 -0.290 3.671 3.960 0.001 0.000 0.218 304 G C 1.919 176.898 174.900 0.132 0.000 1.154 304 G CA 0.840 46.014 45.100 0.123 0.000 0.767 304 G HN 0.307 nan 8.290 nan 0.000 0.552 305 R N 0.454 121.016 120.500 0.105 0.000 2.091 305 R HA -0.018 4.322 4.340 0.001 0.000 0.238 305 R C 2.860 179.218 176.300 0.097 0.000 1.136 305 R CA 1.541 57.695 56.100 0.089 0.000 0.959 305 R CB -0.336 30.022 30.300 0.096 0.000 0.856 305 R HN 0.314 nan 8.270 nan 0.000 0.437 306 A N 0.171 123.056 122.820 0.109 0.000 1.898 306 A HA -0.165 4.156 4.320 0.001 0.000 0.216 306 A C 1.888 179.559 177.584 0.145 0.000 1.181 306 A CA 1.340 53.441 52.037 0.107 0.000 0.620 306 A CB -0.815 18.223 19.000 0.063 0.000 0.819 306 A HN 0.439 nan 8.150 nan 0.000 0.442 307 H N 0.107 119.253 119.070 0.127 0.000 2.353 307 H HA -0.124 4.433 4.556 0.001 0.000 0.298 307 H C 1.882 177.311 175.328 0.169 0.000 1.103 307 H CA 1.815 57.969 56.048 0.176 0.000 1.293 307 H CB -0.097 29.768 29.762 0.171 0.000 1.372 307 H HN 0.434 nan 8.280 nan 0.000 0.501 308 N N 0.719 119.538 118.700 0.198 0.000 2.120 308 N HA -0.094 4.647 4.740 0.001 0.000 0.188 308 N C 2.221 177.721 175.510 -0.018 0.000 1.024 308 N CA 0.658 53.752 53.050 0.074 0.000 0.852 308 N CB -0.405 38.111 38.487 0.049 0.000 1.003 308 N HN 0.343 nan 8.380 nan 0.000 0.424 309 I N 0.540 121.103 120.570 -0.012 0.000 2.226 309 I HA -0.268 3.903 4.170 0.001 0.000 0.245 309 I C 2.194 178.190 176.117 -0.202 0.000 1.100 309 I CA 1.063 62.297 61.300 -0.109 0.000 1.374 309 I CB -0.300 37.633 38.000 -0.111 0.000 1.057 309 I HN 0.272 nan 8.210 nan 0.000 0.413 310 H N 0.047 119.037 119.070 -0.132 0.000 2.321 310 H HA -0.176 4.381 4.556 0.001 0.000 0.300 310 H C 2.193 177.373 175.328 -0.248 0.000 1.087 310 H CA 1.701 57.637 56.048 -0.187 0.000 1.319 310 H CB -0.229 29.402 29.762 -0.217 0.000 1.379 310 H HN 0.205 nan 8.280 nan 0.000 0.501 311 L N 0.933 122.096 121.223 -0.099 0.000 2.079 311 L HA -0.140 4.201 4.340 0.001 0.000 0.210 311 L C 2.208 178.699 176.870 -0.632 0.000 1.081 311 L CA 1.434 56.139 54.840 -0.225 0.000 0.752 311 L CB -0.565 41.474 42.059 -0.033 0.000 0.896 311 L HN -0.014 nan 8.230 nan 0.000 0.433 312 S N -1.271 114.007 115.700 -0.703 0.000 2.507 312 S HA -0.119 4.351 4.470 0.001 0.000 0.235 312 S C 1.689 175.966 174.600 -0.538 0.000 0.988 312 S CA 1.114 58.708 58.200 -1.009 0.000 0.944 312 S CB -0.716 62.196 63.200 -0.481 0.000 0.762 312 S HN 0.791 nan 8.310 nan 0.000 0.526 313 T N -0.245 114.099 114.554 -0.349 0.000 3.163 313 T HA 0.148 4.498 4.350 0.001 0.000 0.260 313 T C 0.436 175.051 174.700 -0.142 0.000 1.156 313 T CA 0.073 62.052 62.100 -0.202 0.000 1.072 313 T CB -0.398 68.360 68.868 -0.182 0.000 0.937 313 T HN -0.016 nan 8.240 nan 0.000 0.528 314 L N 2.713 123.874 121.223 -0.103 0.000 2.436 314 L HA 0.337 4.678 4.340 0.001 0.000 0.265 314 L C 1.794 178.845 176.870 0.302 0.000 1.168 314 L CA 0.182 55.037 54.840 0.025 0.000 0.815 314 L CB 1.122 43.074 42.059 -0.177 0.000 1.109 314 L HN 0.298 nan 8.230 nan 0.000 0.462 315 S N 0.088 115.950 115.700 0.270 0.000 2.481 315 S HA -0.104 4.367 4.470 0.001 0.000 0.231 315 S C 1.201 175.935 174.600 0.224 0.000 0.996 315 S CA 0.928 59.242 58.200 0.191 0.000 0.942 315 S CB -0.472 62.783 63.200 0.092 0.000 0.768 315 S HN 0.758 nan 8.310 nan 0.000 0.520 316 N N -0.206 118.676 118.700 0.303 0.000 2.336 316 N HA 0.134 4.874 4.740 0.001 0.000 0.189 316 N C -0.949 174.525 175.510 -0.061 0.000 1.113 316 N CA -0.228 52.760 53.050 -0.104 0.000 0.858 316 N CB 0.038 38.108 38.487 -0.696 0.000 0.970 316 N HN 0.318 nan 8.380 nan 0.000 0.471 317 F N 1.345 121.391 119.950 0.159 0.000 2.678 317 F HA 0.208 4.736 4.527 0.002 0.000 0.358 317 F C 1.373 177.241 175.800 0.114 0.000 1.256 317 F CA -0.019 58.069 58.000 0.146 0.000 1.278 317 F CB 0.239 39.324 39.000 0.142 0.000 1.681 317 F HN -0.114 nan 8.300 nan 0.000 0.661 318 R N 0.920 121.523 120.500 0.172 0.000 2.334 318 R HA 0.295 4.636 4.340 0.001 0.000 0.216 318 R C -0.136 176.243 176.300 0.132 0.000 0.905 318 R CA 0.132 56.310 56.100 0.130 0.000 1.064 318 R CB 0.408 30.752 30.300 0.073 0.000 1.046 318 R HN 0.381 nan 8.270 nan 0.000 0.508 319 L N 0.706 122.040 121.223 0.184 0.000 2.333 319 L HA 0.498 4.839 4.340 0.001 0.000 0.269 319 L C -2.385 174.597 176.870 0.188 0.000 1.010 319 L CA -2.659 52.269 54.840 0.146 0.000 0.818 319 L CB 1.869 44.004 42.059 0.126 0.000 1.306 319 L HN -0.256 nan 8.230 nan 0.000 0.430 320 P HA 0.161 nan 4.420 nan 0.000 0.269 320 P C -0.483 176.929 177.300 0.186 0.000 1.215 320 P CA -0.183 62.986 63.100 0.114 0.000 0.780 320 P CB 0.681 32.408 31.700 0.045 0.000 0.898 321 G N 0.347 109.292 108.800 0.242 0.000 2.489 321 G HA2 0.315 4.275 3.960 0.001 0.000 0.327 321 G HA3 0.315 4.275 3.960 0.001 0.000 0.327 321 G C -0.870 174.186 174.900 0.260 0.000 1.189 321 G CA -0.493 44.820 45.100 0.355 0.000 0.962 321 G HN 0.298 nan 8.290 nan 0.000 0.486 322 D N 1.294 121.874 120.400 0.301 0.000 2.713 322 D HA 0.193 4.833 4.640 0.001 0.000 0.229 322 D C 0.795 177.177 176.300 0.138 0.000 1.136 322 D CA 0.150 54.271 54.000 0.201 0.000 1.010 322 D CB 0.279 41.206 40.800 0.213 0.000 1.084 322 D HN 0.390 nan 8.370 nan 0.000 0.495 323 T N -2.431 112.206 114.554 0.137 0.000 3.516 323 T HA 0.250 4.601 4.350 0.001 0.000 0.245 323 T C 0.636 175.419 174.700 0.140 0.000 1.077 323 T CA -0.766 61.398 62.100 0.106 0.000 1.222 323 T CB -0.018 68.892 68.868 0.071 0.000 1.045 323 T HN 0.044 nan 8.240 nan 0.000 0.585 324 S N 0.977 116.798 115.700 0.202 0.000 2.641 324 S HA 0.506 4.977 4.470 0.001 0.000 0.261 324 S C 0.437 175.195 174.600 0.264 0.000 1.257 324 S CA -0.623 57.730 58.200 0.256 0.000 0.983 324 S CB 0.358 63.748 63.200 0.316 0.000 0.990 324 S HN 0.427 nan 8.310 nan 0.000 0.572 325 S N 0.936 116.767 115.700 0.218 0.000 2.563 325 S HA 0.274 4.745 4.470 0.001 0.000 0.294 325 S C 1.591 176.357 174.600 0.276 0.000 1.279 325 S CA -0.090 58.218 58.200 0.181 0.000 1.069 325 S CB 0.304 63.567 63.200 0.105 0.000 0.828 325 S HN 0.965 nan 8.310 nan 0.000 0.497 326 A N 3.614 126.597 122.820 0.271 0.000 1.978 326 A HA -0.143 4.178 4.320 0.001 0.000 0.220 326 A C 2.305 180.096 177.584 0.344 0.000 1.170 326 A CA 1.919 54.191 52.037 0.392 0.000 0.636 326 A CB -1.008 18.192 19.000 0.332 0.000 0.810 326 A HN 0.953 nan 8.150 nan 0.000 0.448 327 S N -0.353 115.457 115.700 0.185 0.000 2.507 327 S HA -0.123 4.348 4.470 0.001 0.000 0.235 327 S C 1.693 176.281 174.600 -0.019 0.000 0.988 327 S CA 1.007 59.266 58.200 0.097 0.000 0.944 327 S CB -0.430 62.804 63.200 0.057 0.000 0.762 327 S HN 0.651 nan 8.310 nan 0.000 0.526 328 R N -0.746 119.679 120.500 -0.126 0.000 2.276 328 R HA 0.127 4.468 4.340 0.001 0.000 0.203 328 R C 0.915 176.780 176.300 -0.725 0.000 1.017 328 R CA 1.061 56.896 56.100 -0.442 0.000 1.010 328 R CB -0.169 29.757 30.300 -0.624 0.000 0.900 328 R HN 0.607 nan 8.270 nan 0.000 0.469 329 Y N -2.415 117.705 120.300 -0.301 0.000 2.589 329 Y HA 0.166 4.717 4.550 0.001 0.000 0.271 329 Y C 0.118 175.577 175.900 -0.735 0.000 1.107 329 Y CA -0.555 57.120 58.100 -0.709 0.000 1.273 329 Y CB 0.582 38.349 38.460 -1.156 0.000 1.266 329 Y HN -0.062 nan 8.280 nan 0.000 0.504 330 W N 1.557 122.952 121.300 0.157 0.000 2.683 330 W HA 0.381 5.042 4.660 0.002 0.000 0.329 330 W C 0.586 177.132 176.519 0.045 0.000 1.037 330 W CA -1.053 56.353 57.345 0.102 0.000 1.232 330 W CB 1.202 30.735 29.460 0.122 0.000 1.390 330 W HN -0.030 nan 8.180 nan 0.000 0.465 331 E N 1.389 121.731 120.200 0.237 0.000 2.095 331 E HA -0.246 4.104 4.350 0.001 0.000 0.212 331 E C 0.566 177.225 176.600 0.099 0.000 1.044 331 E CA 1.364 57.842 56.400 0.130 0.000 0.857 331 E CB 0.013 29.782 29.700 0.115 0.000 0.764 331 E HN 0.387 nan 8.360 nan 0.000 0.462 332 R N 0.249 120.818 120.500 0.115 0.000 2.564 332 R HA 0.196 4.536 4.340 0.001 0.000 0.284 332 R C -1.688 174.613 176.300 0.001 0.000 1.031 332 R CA -0.630 55.426 56.100 -0.073 0.000 0.904 332 R CB 1.543 31.582 30.300 -0.435 0.000 1.199 332 R HN 0.006 nan 8.270 nan 0.000 0.443 333 D N 2.661 123.046 120.400 -0.025 0.000 2.348 333 D HA 0.172 4.813 4.640 0.001 0.000 0.249 333 D C 1.041 177.364 176.300 0.038 0.000 1.110 333 D CA -0.332 53.638 54.000 -0.050 0.000 0.967 333 D CB 1.369 42.172 40.800 0.004 0.000 1.139 333 D HN 0.545 nan 8.370 nan 0.000 0.466 334 L N 1.180 122.399 121.223 -0.006 0.000 2.554 334 L HA 0.128 4.469 4.340 0.001 0.000 0.226 334 L C 0.976 177.892 176.870 0.076 0.000 1.137 334 L CA 0.266 55.162 54.840 0.093 0.000 0.863 334 L CB -0.434 41.592 42.059 -0.055 0.000 0.985 334 L HN 0.333 nan 8.230 nan 0.000 0.451 335 I N -4.493 116.097 120.570 0.034 0.000 2.822 335 I HA 0.222 4.393 4.170 0.001 0.000 0.312 335 I C 0.697 176.829 176.117 0.025 0.000 1.011 335 I CA -0.760 60.558 61.300 0.029 0.000 1.105 335 I CB 1.236 39.248 38.000 0.019 0.000 1.291 335 I HN -0.085 nan 8.210 nan 0.000 0.474 336 Q N 0.843 120.656 119.800 0.022 0.000 2.311 336 Q HA 0.052 4.393 4.340 0.001 0.000 0.203 336 Q C -0.422 175.582 176.000 0.007 0.000 0.954 336 Q CA 0.808 56.618 55.803 0.012 0.000 0.885 336 Q CB -0.004 28.743 28.738 0.014 0.000 0.963 336 Q HN 0.642 nan 8.270 nan 0.000 0.471 337 E N 2.157 122.365 120.200 0.013 0.000 2.249 337 E HA 0.163 4.513 4.350 0.001 0.000 0.280 337 E C -2.366 174.247 176.600 0.023 0.000 1.016 337 E CA -2.226 54.182 56.400 0.014 0.000 0.830 337 E CB 0.610 30.319 29.700 0.016 0.000 1.081 337 E HN 0.003 nan 8.360 nan 0.000 0.395 338 P HA 0.116 nan 4.420 nan 0.000 0.281 338 P C -0.830 176.494 177.300 0.040 0.000 1.252 338 P CA -0.176 62.944 63.100 0.033 0.000 0.778 338 P CB 0.610 32.324 31.700 0.022 0.000 0.895 339 L N 3.842 125.103 121.223 0.063 0.000 2.314 339 L HA 0.340 4.680 4.340 0.001 0.000 0.275 339 L C 0.538 177.450 176.870 0.070 0.000 1.068 339 L CA -0.171 54.707 54.840 0.062 0.000 0.894 339 L CB 0.364 42.471 42.059 0.080 0.000 1.275 339 L HN 0.198 nan 8.230 nan 0.000 0.432 340 E N 2.665 122.890 120.200 0.042 0.000 2.191 340 E HA 0.526 4.877 4.350 0.001 0.000 0.263 340 E C -0.514 176.093 176.600 0.011 0.000 0.881 340 E CA -0.478 55.943 56.400 0.036 0.000 0.757 340 E CB 2.601 32.315 29.700 0.024 0.000 1.147 340 E HN 0.480 nan 8.360 nan 0.000 0.414 341 A N 2.568 125.394 122.820 0.009 0.000 2.354 341 A HA 0.525 4.846 4.320 0.001 0.000 0.269 341 A C -0.159 177.382 177.584 -0.072 0.000 1.109 341 A CA -0.452 51.567 52.037 -0.030 0.000 0.800 341 A CB 0.669 19.652 19.000 -0.028 0.000 1.045 341 A HN 0.338 nan 8.150 nan 0.000 0.489 342 V N 2.331 122.195 119.914 -0.083 0.000 2.531 342 V HA 0.362 4.483 4.120 0.001 0.000 0.301 342 V C 0.048 176.072 176.094 -0.116 0.000 1.034 342 V CA 0.138 62.383 62.300 -0.092 0.000 0.865 342 V CB 1.330 33.119 31.823 -0.056 0.000 0.995 342 V HN 1.130 nan 8.190 nan 0.000 0.424 343 D N 3.970 124.280 120.400 -0.149 0.000 2.751 343 D HA -0.181 4.460 4.640 0.001 0.000 0.233 343 D C 1.221 177.424 176.300 -0.163 0.000 1.149 343 D CA 2.103 56.016 54.000 -0.144 0.000 0.682 343 D CB -1.028 39.723 40.800 -0.082 0.000 1.068 343 D HN 1.615 nan 8.370 nan 0.000 0.429 344 G N -1.334 107.310 108.800 -0.260 0.000 2.143 344 G HA2 -0.280 3.680 3.960 0.001 0.000 0.248 344 G HA3 -0.280 3.680 3.960 0.001 0.000 0.248 344 G C 0.213 175.064 174.900 -0.081 0.000 0.991 344 G CA 0.392 45.371 45.100 -0.201 0.000 0.689 344 G HN 0.584 nan 8.290 nan 0.000 0.522 345 L N -0.226 120.951 121.223 -0.077 0.000 2.343 345 L HA 0.687 5.027 4.340 0.001 0.000 0.278 345 L C 0.151 176.999 176.870 -0.037 0.000 0.996 345 L CA -1.046 53.769 54.840 -0.041 0.000 0.831 345 L CB 1.804 43.840 42.059 -0.037 0.000 1.232 345 L HN 0.178 nan 8.230 nan 0.000 0.413 346 M N 7.067 126.654 119.600 -0.022 0.000 2.113 346 M HA 0.483 4.964 4.480 0.001 0.000 0.352 346 M C -2.473 173.803 176.300 -0.041 0.000 1.170 346 M CA -1.972 53.316 55.300 -0.020 0.000 1.053 346 M CB 1.024 33.623 32.600 -0.001 0.000 1.601 346 M HN 0.077 nan 8.290 nan 0.000 0.459 347 P HA 0.095 nan 4.420 nan 0.000 0.271 347 P C -0.961 176.286 177.300 -0.088 0.000 1.216 347 P CA -0.348 62.719 63.100 -0.056 0.000 0.776 347 P CB 0.377 32.054 31.700 -0.039 0.000 0.881 348 V N 5.520 125.357 119.914 -0.127 0.000 2.470 348 V HA 0.132 4.252 4.120 0.001 0.000 0.276 348 V C -1.633 174.368 176.094 -0.156 0.000 1.040 348 V CA -1.218 60.944 62.300 -0.230 0.000 1.008 348 V CB 0.018 31.661 31.823 -0.300 0.000 0.990 348 V HN 0.595 nan 8.190 nan 0.000 0.477 349 P HA 0.081 nan 4.420 nan 0.000 0.267 349 P C -0.447 176.874 177.300 0.035 0.000 1.205 349 P CA -0.099 62.994 63.100 -0.011 0.000 0.765 349 P CB 0.503 32.227 31.700 0.041 0.000 0.828 350 Q N 2.204 122.014 119.800 0.016 0.000 2.340 350 Q HA 0.480 4.821 4.340 0.001 0.000 0.249 350 Q C 0.113 176.128 176.000 0.024 0.000 0.957 350 Q CA 0.044 55.858 55.803 0.019 0.000 0.882 350 Q CB 0.383 29.121 28.738 0.001 0.000 1.235 350 Q HN 0.779 nan 8.270 nan 0.000 0.439 351 G N 2.152 110.962 108.800 0.016 0.000 2.371 351 G HA2 -0.034 3.927 3.960 0.001 0.000 0.663 351 G HA3 -0.034 3.927 3.960 0.001 0.000 0.663 351 G C -3.074 171.808 174.900 -0.030 0.000 1.311 351 G CA -0.542 44.552 45.100 -0.009 0.000 0.985 351 G HN 0.669 nan 8.290 nan 0.000 0.566 352 P HA 0.514 nan 4.420 nan 0.000 0.276 352 P C 1.266 178.473 177.300 -0.154 0.000 1.244 352 P CA 1.453 64.493 63.100 -0.100 0.000 0.801 352 P CB 1.015 32.658 31.700 -0.096 0.000 1.006 353 G N 1.734 110.413 108.800 -0.202 0.000 2.634 353 G HA2 -0.373 3.588 3.960 0.001 0.000 0.309 353 G HA3 -0.373 3.588 3.960 0.001 0.000 0.309 353 G C 1.138 175.714 174.900 -0.540 0.000 1.265 353 G CA 1.456 46.385 45.100 -0.285 0.000 0.998 353 G HN 0.728 nan 8.290 nan 0.000 0.551 354 T N -0.991 113.248 114.554 -0.525 0.000 2.962 354 T HA 0.322 4.672 4.350 0.001 0.000 0.270 354 T C 2.707 177.276 174.700 -0.218 0.000 1.088 354 T CA 1.913 63.635 62.100 -0.629 0.000 1.127 354 T CB -0.426 68.160 68.868 -0.471 0.000 0.883 354 T HN 2.790 nan 8.240 nan 0.000 0.493 355 G N 0.732 109.452 108.800 -0.133 0.000 2.153 355 G HA2 -0.182 3.779 3.960 0.001 0.000 0.252 355 G HA3 -0.182 3.779 3.960 0.001 0.000 0.252 355 G C 0.166 175.068 174.900 0.004 0.000 0.994 355 G CA 0.488 45.585 45.100 -0.005 0.000 0.698 355 G HN 1.625 nan 8.290 nan 0.000 0.521 356 V N -3.610 116.290 119.914 -0.023 0.000 3.074 356 V HA 1.009 5.130 4.120 0.001 0.000 0.314 356 V C -0.128 175.959 176.094 -0.012 0.000 1.117 356 V CA -0.239 62.057 62.300 -0.006 0.000 1.014 356 V CB 2.259 34.087 31.823 0.008 0.000 1.057 356 V HN 0.644 nan 8.190 nan 0.000 0.438 357 T N 3.179 117.734 114.554 0.001 0.000 2.937 357 T HA 0.533 4.884 4.350 0.001 0.000 0.297 357 T C -0.403 174.306 174.700 0.016 0.000 0.991 357 T CA -0.435 61.668 62.100 0.005 0.000 0.990 357 T CB 1.235 70.107 68.868 0.007 0.000 0.991 357 T HN 0.781 nan 8.240 nan 0.000 0.440 358 L N 2.835 124.069 121.223 0.018 0.000 2.525 358 L HA 0.089 4.429 4.340 0.001 0.000 0.278 358 L C 0.695 177.589 176.870 0.041 0.000 1.218 358 L CA -0.007 54.850 54.840 0.027 0.000 0.878 358 L CB 0.298 42.370 42.059 0.022 0.000 1.127 358 L HN 0.672 nan 8.230 nan 0.000 0.492 359 D N 3.694 124.133 120.400 0.065 0.000 2.422 359 D HA 0.048 4.688 4.640 0.001 0.000 0.227 359 D C 1.058 177.411 176.300 0.089 0.000 1.190 359 D CA -0.327 53.726 54.000 0.089 0.000 0.905 359 D CB 0.706 41.589 40.800 0.138 0.000 1.034 359 D HN 0.285 nan 8.370 nan 0.000 0.507 360 R N 2.446 122.981 120.500 0.058 0.000 2.115 360 R HA -0.119 4.222 4.340 0.001 0.000 0.230 360 R C 1.513 177.834 176.300 0.034 0.000 1.111 360 R CA 0.785 56.907 56.100 0.037 0.000 0.976 360 R CB -0.266 30.055 30.300 0.033 0.000 0.870 360 R HN 0.436 nan 8.270 nan 0.000 0.445 361 E N 0.110 120.346 120.200 0.061 0.000 2.072 361 E HA -0.102 4.248 4.350 0.001 0.000 0.190 361 E C 1.638 178.291 176.600 0.089 0.000 0.982 361 E CA 0.701 57.138 56.400 0.062 0.000 0.803 361 E CB -0.386 29.354 29.700 0.067 0.000 0.755 361 E HN 0.179 nan 8.360 nan 0.000 0.453 362 F N 0.738 120.687 119.950 -0.002 0.000 2.102 362 F HA -0.127 4.401 4.527 0.000 0.000 0.298 362 F C 1.976 177.770 175.800 -0.010 0.000 1.105 362 F CA 1.274 59.271 58.000 -0.004 0.000 1.239 362 F CB -0.796 38.199 39.000 -0.008 0.000 0.991 362 F HN 0.193 nan 8.300 nan 0.000 0.474 363 L N 1.305 122.403 121.223 -0.207 0.000 2.021 363 L HA -0.205 4.136 4.340 0.001 0.000 0.215 363 L C 2.442 179.156 176.870 -0.259 0.000 1.074 363 L CA 2.355 57.025 54.840 -0.284 0.000 0.760 363 L CB -1.580 40.416 42.059 -0.104 0.000 0.889 363 L HN 0.220 nan 8.230 nan 0.000 0.433 364 A N -1.551 121.180 122.820 -0.148 0.000 1.972 364 A HA -0.222 4.099 4.320 0.001 0.000 0.219 364 A C 2.330 179.839 177.584 -0.125 0.000 1.169 364 A CA 2.173 54.147 52.037 -0.104 0.000 0.635 364 A CB -1.294 17.678 19.000 -0.048 0.000 0.810 364 A HN 0.666 nan 8.150 nan 0.000 0.446 365 T N -2.238 112.215 114.554 -0.168 0.000 3.035 365 T HA 0.012 4.363 4.350 0.001 0.000 0.268 365 T C 1.073 175.661 174.700 -0.186 0.000 1.109 365 T CA 1.495 63.514 62.100 -0.136 0.000 1.119 365 T CB -0.464 68.365 68.868 -0.064 0.000 0.900 365 T HN 0.825 nan 8.240 nan 0.000 0.503 366 V N -2.043 117.688 119.914 -0.304 0.000 3.276 366 V HA 0.411 4.532 4.120 0.001 0.000 0.319 366 V C 0.340 176.332 176.094 -0.169 0.000 1.427 366 V CA -0.674 61.480 62.300 -0.243 0.000 1.102 366 V CB -0.517 31.092 31.823 -0.357 0.000 1.020 366 V HN 0.205 nan 8.190 nan 0.000 0.456 367 T N 2.300 116.767 114.554 -0.144 0.000 2.794 367 T HA 0.307 4.658 4.350 0.001 0.000 0.296 367 T C 0.901 175.557 174.700 -0.073 0.000 0.949 367 T CA 0.004 62.044 62.100 -0.099 0.000 1.101 367 T CB 1.427 70.246 68.868 -0.082 0.000 0.905 367 T HN 0.379 nan 8.240 nan 0.000 0.516 368 E N 1.554 121.717 120.200 -0.061 0.000 2.190 368 E HA 0.282 4.633 4.350 0.001 0.000 0.191 368 E C 0.600 177.178 176.600 -0.036 0.000 0.978 368 E CA 0.250 56.620 56.400 -0.050 0.000 0.839 368 E CB 0.363 30.034 29.700 -0.048 0.000 0.787 368 E HN 0.710 nan 8.360 nan 0.000 0.473 369 A N 0.929 123.730 122.820 -0.031 0.000 2.566 369 A HA 0.542 4.863 4.320 0.001 0.000 0.297 369 A C -1.341 176.235 177.584 -0.013 0.000 1.059 369 A CA -0.728 51.297 52.037 -0.020 0.000 0.691 369 A CB 1.596 20.588 19.000 -0.014 0.000 1.282 369 A HN 0.025 nan 8.150 nan 0.000 0.401 370 Q N 1.005 120.800 119.800 -0.007 0.000 2.416 370 Q HA 0.787 5.127 4.340 0.001 0.000 0.281 370 Q C -1.097 174.907 176.000 0.007 0.000 1.067 370 Q CA -0.404 55.401 55.803 0.004 0.000 0.809 370 Q CB 1.832 30.569 28.738 -0.002 0.000 1.418 370 Q HN 0.895 nan 8.270 nan 0.000 0.411 371 E N 0.661 120.877 120.200 0.026 0.000 2.392 371 E HA 0.459 4.810 4.350 0.001 0.000 0.279 371 E C -1.410 175.196 176.600 0.010 0.000 0.964 371 E CA -0.940 55.456 56.400 -0.006 0.000 0.777 371 E CB 2.031 31.739 29.700 0.013 0.000 1.249 371 E HN 0.716 nan 8.360 nan 0.000 0.449 372 E N 1.568 121.709 120.200 -0.098 0.000 2.212 372 E HA 0.317 4.668 4.350 0.001 0.000 0.268 372 E C -1.239 175.225 176.600 -0.227 0.000 0.902 372 E CA -0.707 55.665 56.400 -0.047 0.000 0.779 372 E CB 1.355 31.039 29.700 -0.027 0.000 1.172 372 E HN 0.494 nan 8.360 nan 0.000 0.409 373 H N 3.190 122.287 119.070 0.044 0.000 2.600 373 H HA 0.501 5.057 4.556 0.001 0.000 0.357 373 H C -0.321 175.037 175.328 0.050 0.000 1.106 373 H CA -0.788 55.285 56.048 0.041 0.000 1.193 373 H CB 1.638 31.427 29.762 0.044 0.000 1.594 373 H HN 0.429 nan 8.280 nan 0.000 0.526 374 R N 0.804 121.384 120.500 0.132 0.000 2.905 374 R HA 0.678 5.018 4.340 0.001 0.000 0.260 374 R C -0.309 176.046 176.300 0.092 0.000 1.086 374 R CA -1.050 55.108 56.100 0.098 0.000 0.978 374 R CB 1.807 32.138 30.300 0.051 0.000 1.215 374 R HN 0.571 nan 8.270 nan 0.000 0.480 375 A N 0.000 122.864 122.820 0.073 0.000 2.254 375 A HA 0.000 4.321 4.320 0.001 0.000 0.244 375 A CA 0.000 52.073 52.037 0.061 0.000 0.836 375 A CB 0.000 19.028 19.000 0.047 0.000 0.831 375 A HN 0.000 nan 8.150 nan 0.000 0.486