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 3kkj_1_B DATA FIRST_RESID 2 DATA SEQUENCE TVPIAIIGTG IAGLSAAQAL TAAGHQVHLF DKSRGSGGRX SSKRSDAGAL DATA SEQUENCE DXGAQYFTAR DRRFATAVKQ WQAQGHVAEW TPLLYNFHAG RLSPSPDEQV DATA SEQUENCE RWVGKPGXSA ITRAXRGDXP VSFSCRITEV FRGEEHWNLL DAEGQNHGPF DATA SEQUENCE SHVIIATPAP QASTLLAAAP KLASVVAGVK XDPTWAVALA FETPLQTPXQ DATA SEQUENCE GCFVQDSPLD WLARNRSKPE RDDTLDTWIL HATSQWSRQN LDASREQVIE DATA SEQUENCE HLHGAFAELI DCTXPAPVFS LAHRWLYARP AGAHEWGALS DADLGIYVCG DATA SEQUENCE DWCLSGRVEG AWLSGQEAAR RLLEHLQL 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.710 174.700 0.016 0.000 1.109 2 T CA 0.000 62.116 62.100 0.027 0.000 1.349 2 T CB 0.000 68.890 68.868 0.037 0.000 0.612 3 V N 2.877 122.802 119.914 0.019 0.000 2.408 3 V HA 0.503 4.623 4.120 -0.001 0.000 0.267 3 V C -1.742 174.415 176.094 0.106 0.000 1.047 3 V CA -1.532 60.756 62.300 -0.020 0.000 0.937 3 V CB 0.359 32.110 31.823 -0.121 0.000 0.999 3 V HN 0.857 nan 8.190 nan 0.000 0.472 4 P HA 0.331 nan 4.420 nan 0.000 0.274 4 P C -0.275 177.239 177.300 0.358 0.000 1.231 4 P CA -0.308 62.945 63.100 0.255 0.000 0.790 4 P CB 1.285 33.153 31.700 0.279 0.000 0.951 5 I N 0.895 121.609 120.570 0.239 0.000 2.581 5 I HA 0.280 4.450 4.170 -0.001 0.000 0.288 5 I C 0.833 176.957 176.117 0.011 0.000 1.047 5 I CA -0.513 60.886 61.300 0.165 0.000 1.374 5 I CB 0.976 39.022 38.000 0.076 0.000 1.423 5 I HN 0.361 nan 8.210 nan 0.000 0.549 6 A N 7.685 130.414 122.820 -0.152 0.000 2.292 6 A HA 0.754 5.074 4.320 -0.001 0.000 0.319 6 A C -0.566 176.902 177.584 -0.193 0.000 1.206 6 A CA -0.437 51.378 52.037 -0.370 0.000 0.835 6 A CB 0.437 18.934 19.000 -0.839 0.000 1.164 6 A HN 0.641 nan 8.150 nan 0.000 0.505 7 I N 3.549 124.050 120.570 -0.115 0.000 2.410 7 I HA 0.301 4.471 4.170 -0.001 0.000 0.286 7 I C -0.737 175.375 176.117 -0.008 0.000 1.009 7 I CA -0.190 61.055 61.300 -0.090 0.000 1.111 7 I CB 1.626 39.556 38.000 -0.116 0.000 1.262 7 I HN 0.512 nan 8.210 nan 0.000 0.443 8 I N 6.104 126.660 120.570 -0.024 0.000 2.297 8 I HA 0.601 4.770 4.170 -0.001 0.000 0.291 8 I C 0.515 176.642 176.117 0.015 0.000 1.033 8 I CA -0.254 61.055 61.300 0.015 0.000 1.253 8 I CB 0.984 38.953 38.000 -0.051 0.000 1.396 8 I HN 0.821 nan 8.210 nan 0.000 0.476 9 G N 3.416 112.238 108.800 0.037 0.000 3.014 9 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.683 9 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.683 9 G C -0.160 174.752 174.900 0.019 0.000 1.271 9 G CA -0.412 44.714 45.100 0.043 0.000 0.843 9 G HN 0.699 nan 8.290 nan 0.000 0.612 10 T N 0.117 114.700 114.554 0.049 0.000 3.313 10 T HA 0.640 4.989 4.350 -0.001 0.000 0.263 10 T C 1.200 175.927 174.700 0.045 0.000 0.983 10 T CA 0.773 62.895 62.100 0.036 0.000 0.963 10 T CB 0.712 69.626 68.868 0.076 0.000 1.141 10 T HN 1.644 nan 8.240 nan 0.000 0.526 11 G N 0.584 109.405 108.800 0.035 0.000 2.563 11 G HA2 0.512 4.472 3.960 -0.001 0.000 0.283 11 G HA3 0.512 4.472 3.960 -0.001 0.000 0.283 11 G C 0.807 175.709 174.900 0.003 0.000 1.309 11 G CA -0.843 44.273 45.100 0.027 0.000 1.022 11 G HN 0.403 nan 8.290 nan 0.000 0.501 12 I N -0.096 120.474 120.570 -0.001 0.000 2.361 12 I HA -0.129 4.041 4.170 -0.001 0.000 0.251 12 I C 2.830 178.952 176.117 0.008 0.000 1.133 12 I CA 1.676 62.991 61.300 0.025 0.000 1.413 12 I CB 0.006 38.034 38.000 0.045 0.000 1.073 12 I HN 0.470 nan 8.210 nan 0.000 0.424 13 A N 0.476 123.275 122.820 -0.035 0.000 1.883 13 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 13 A C 2.340 179.855 177.584 -0.115 0.000 1.186 13 A CA 1.888 53.866 52.037 -0.099 0.000 0.624 13 A CB -1.572 17.363 19.000 -0.109 0.000 0.822 13 A HN 0.512 nan 8.150 nan 0.000 0.444 14 G N -0.667 108.089 108.800 -0.073 0.000 2.403 14 G HA2 -0.015 3.944 3.960 -0.001 0.000 0.216 14 G HA3 -0.015 3.944 3.960 -0.001 0.000 0.216 14 G C 1.473 176.320 174.900 -0.089 0.000 1.154 14 G CA 0.845 45.895 45.100 -0.082 0.000 0.784 14 G HN 0.424 nan 8.290 nan 0.000 0.538 15 L N 0.663 121.851 121.223 -0.058 0.000 2.395 15 L HA 0.071 4.411 4.340 -0.001 0.000 0.218 15 L C 2.954 179.800 176.870 -0.039 0.000 1.130 15 L CA 0.638 55.452 54.840 -0.044 0.000 0.826 15 L CB -0.061 41.988 42.059 -0.016 0.000 0.941 15 L HN 0.291 nan 8.230 nan 0.000 0.451 16 S N 0.043 115.695 115.700 -0.080 0.000 2.345 16 S HA -0.131 4.339 4.470 -0.001 0.000 0.219 16 S C 2.212 176.660 174.600 -0.253 0.000 1.031 16 S CA 1.239 59.320 58.200 -0.199 0.000 0.984 16 S CB -0.021 62.916 63.200 -0.438 0.000 0.874 16 S HN 0.430 nan 8.310 nan 0.000 0.451 17 A N 1.636 124.311 122.820 -0.241 0.000 1.877 17 A HA 0.128 4.448 4.320 -0.001 0.000 0.216 17 A C 2.466 179.943 177.584 -0.178 0.000 1.186 17 A CA 2.003 53.898 52.037 -0.236 0.000 0.620 17 A CB -1.500 17.365 19.000 -0.226 0.000 0.822 17 A HN 0.753 nan 8.150 nan 0.000 0.443 18 A N -0.716 122.021 122.820 -0.138 0.000 1.892 18 A HA -0.288 4.031 4.320 -0.001 0.000 0.218 18 A C 2.158 179.700 177.584 -0.071 0.000 1.188 18 A CA 1.885 53.859 52.037 -0.104 0.000 0.631 18 A CB -0.669 18.273 19.000 -0.096 0.000 0.822 18 A HN 0.666 nan 8.150 nan 0.000 0.447 19 Q N -1.021 118.751 119.800 -0.047 0.000 2.050 19 Q HA -0.129 4.211 4.340 -0.001 0.000 0.202 19 Q C 2.519 178.508 176.000 -0.019 0.000 0.980 19 Q CA 1.422 57.225 55.803 0.000 0.000 0.840 19 Q CB -0.394 28.390 28.738 0.076 0.000 0.898 19 Q HN 0.699 nan 8.270 nan 0.000 0.424 20 A N 0.949 123.726 122.820 -0.071 0.000 1.902 20 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 20 A C 2.132 179.676 177.584 -0.065 0.000 1.181 20 A CA 1.108 53.096 52.037 -0.082 0.000 0.623 20 A CB -0.639 18.267 19.000 -0.156 0.000 0.818 20 A HN 0.253 nan 8.150 nan 0.000 0.443 21 L N -1.511 119.658 121.223 -0.090 0.000 2.027 21 L HA -0.125 4.215 4.340 -0.001 0.000 0.206 21 L C 2.819 179.715 176.870 0.044 0.000 1.074 21 L CA 1.726 56.527 54.840 -0.065 0.000 0.745 21 L CB -0.797 41.185 42.059 -0.128 0.000 0.898 21 L HN 0.337 nan 8.230 nan 0.000 0.433 22 T N -0.450 114.112 114.554 0.013 0.000 2.746 22 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 22 T C 1.856 176.575 174.700 0.032 0.000 1.039 22 T CA 1.379 63.495 62.100 0.027 0.000 1.142 22 T CB -0.098 68.772 68.868 0.002 0.000 0.866 22 T HN 0.434 nan 8.240 nan 0.000 0.444 23 A N 0.499 123.335 122.820 0.026 0.000 2.070 23 A HA 0.279 4.598 4.320 -0.001 0.000 0.220 23 A C 2.198 179.801 177.584 0.033 0.000 1.159 23 A CA 1.579 53.632 52.037 0.026 0.000 0.656 23 A CB -0.514 18.501 19.000 0.024 0.000 0.800 23 A HN 0.517 nan 8.150 nan 0.000 0.453 24 A N -2.220 120.637 122.820 0.062 0.000 2.345 24 A HA 0.459 4.778 4.320 -0.001 0.000 0.225 24 A C 1.658 179.281 177.584 0.065 0.000 1.243 24 A CA 1.045 53.137 52.037 0.092 0.000 0.875 24 A CB -0.619 18.469 19.000 0.147 0.000 0.929 24 A HN 1.728 nan 8.150 nan 0.000 0.502 25 G N -1.062 107.752 108.800 0.025 0.000 2.213 25 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.236 25 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.236 25 G C 0.015 174.833 174.900 -0.135 0.000 0.991 25 G CA 0.249 45.299 45.100 -0.084 0.000 0.629 25 G HN 0.705 nan 8.290 nan 0.000 0.517 26 H N 1.642 120.709 119.070 -0.004 0.000 2.646 26 H HA 0.566 5.122 4.556 -0.001 0.000 0.325 26 H C 0.760 176.093 175.328 0.009 0.000 1.075 26 H CA 0.033 56.086 56.048 0.009 0.000 1.421 26 H CB 0.630 30.394 29.762 0.003 0.000 1.461 26 H HN 0.436 nan 8.280 nan 0.000 0.525 27 Q N 1.770 121.646 119.800 0.127 0.000 2.373 27 Q HA 0.365 4.705 4.340 -0.001 0.000 0.255 27 Q C -0.214 175.847 176.000 0.102 0.000 0.980 27 Q CA -0.511 55.346 55.803 0.090 0.000 0.882 27 Q CB 1.335 30.121 28.738 0.081 0.000 1.249 27 Q HN 0.553 nan 8.270 nan 0.000 0.438 28 V N -1.031 118.915 119.914 0.053 0.000 3.040 28 V HA 0.604 4.724 4.120 -0.001 0.000 0.312 28 V C -1.515 174.577 176.094 -0.005 0.000 1.115 28 V CA -0.950 61.364 62.300 0.023 0.000 0.998 28 V CB 2.106 33.901 31.823 -0.046 0.000 1.042 28 V HN 0.863 nan 8.190 nan 0.000 0.433 29 H N 2.056 121.051 119.070 -0.126 0.000 2.689 29 H HA 0.782 5.338 4.556 -0.000 0.000 0.346 29 H C -1.144 173.933 175.328 -0.420 0.000 1.037 29 H CA -0.457 55.433 56.048 -0.263 0.000 1.234 29 H CB 1.649 31.301 29.762 -0.185 0.000 1.572 29 H HN 0.894 nan 8.280 nan 0.000 0.524 30 L N 4.865 125.613 121.223 -0.791 0.000 2.334 30 L HA 0.474 4.813 4.340 -0.001 0.000 0.275 30 L C -0.892 175.525 176.870 -0.756 0.000 1.036 30 L CA -0.659 53.849 54.840 -0.554 0.000 0.807 30 L CB 1.025 42.822 42.059 -0.437 0.000 1.231 30 L HN 0.502 nan 8.230 nan 0.000 0.438 31 F N 0.222 120.027 119.950 -0.241 0.000 2.565 31 F HA 0.520 5.046 4.527 -0.001 0.000 0.313 31 F C -0.325 175.395 175.800 -0.134 0.000 1.091 31 F CA -0.668 57.213 58.000 -0.198 0.000 0.915 31 F CB 2.084 40.982 39.000 -0.170 0.000 1.208 31 F HN 0.355 nan 8.300 nan 0.000 0.453 32 D N 1.553 122.022 120.400 0.116 0.000 2.886 32 D HA 0.143 4.783 4.640 -0.001 0.000 0.216 32 D C -0.031 176.395 176.300 0.211 0.000 1.256 32 D CA -0.414 53.688 54.000 0.170 0.000 0.844 32 D CB 2.106 43.051 40.800 0.243 0.000 1.669 32 D HN 0.721 nan 8.370 nan 0.000 0.513 33 K N 0.568 121.065 120.400 0.162 0.000 2.365 33 K HA 0.077 4.397 4.320 -0.001 0.000 0.199 33 K C 0.752 177.438 176.600 0.144 0.000 1.045 33 K CA 0.343 56.712 56.287 0.138 0.000 0.962 33 K CB 0.179 32.739 32.500 0.100 0.000 0.759 33 K HN 0.025 nan 8.250 nan 0.000 0.469 34 S N 0.838 116.636 115.700 0.164 0.000 2.661 34 S HA 0.224 4.694 4.470 -0.001 0.000 0.265 34 S C 0.908 175.561 174.600 0.087 0.000 1.225 34 S CA -0.752 57.510 58.200 0.104 0.000 0.986 34 S CB 1.218 64.461 63.200 0.073 0.000 1.008 34 S HN 0.251 nan 8.310 nan 0.000 0.565 35 R N -0.214 120.240 120.500 -0.076 0.000 2.161 35 R HA 0.194 4.534 4.340 -0.001 0.000 0.213 35 R C 0.987 176.814 176.300 -0.788 0.000 1.055 35 R CA 0.549 56.512 56.100 -0.228 0.000 0.996 35 R CB -0.014 30.184 30.300 -0.170 0.000 0.901 35 R HN 0.630 nan 8.270 nan 0.000 0.456 36 G N -0.666 107.712 108.800 -0.703 0.000 2.733 36 G HA2 0.376 4.335 3.960 -0.001 0.000 0.288 36 G HA3 0.376 4.335 3.960 -0.001 0.000 0.288 36 G C -0.834 173.853 174.900 -0.356 0.000 1.373 36 G CA -0.593 43.938 45.100 -0.948 0.000 0.895 36 G HN 0.145 nan 8.290 nan 0.000 0.479 37 S N -1.892 113.752 115.700 -0.093 0.000 2.713 37 S HA 0.759 5.228 4.470 -0.001 0.000 0.277 37 S C 1.097 175.722 174.600 0.041 0.000 1.168 37 S CA 0.506 58.796 58.200 0.149 0.000 0.994 37 S CB 1.509 64.844 63.200 0.224 0.000 1.054 37 S HN 2.478 nan 8.310 nan 0.000 0.555 38 G N -0.724 108.107 108.800 0.051 0.000 2.307 38 G HA2 0.202 4.162 3.960 -0.001 0.000 0.210 38 G HA3 0.202 4.162 3.960 -0.001 0.000 0.210 38 G C 1.260 176.189 174.900 0.049 0.000 1.005 38 G CA 0.484 45.598 45.100 0.024 0.000 0.634 38 G HN 2.141 nan 8.290 nan 0.000 0.496 39 G N 1.154 110.007 108.800 0.089 0.000 2.672 39 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.324 39 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.324 39 G C 0.584 175.579 174.900 0.159 0.000 1.286 39 G CA 1.422 46.601 45.100 0.131 0.000 1.004 39 G HN 1.058 nan 8.290 nan 0.000 0.548 43 S N 0.954 116.677 115.700 0.039 0.000 2.509 43 S HA 0.705 5.175 4.470 -0.001 0.000 0.297 43 S C -0.463 174.149 174.600 0.019 0.000 1.118 43 S CA -0.823 57.401 58.200 0.039 0.000 1.074 43 S CB 1.396 64.606 63.200 0.017 0.000 1.038 43 S HN 0.830 nan 8.310 nan 0.000 0.498 44 K N 2.182 122.599 120.400 0.028 0.000 2.172 44 K HA 0.294 4.614 4.320 -0.001 0.000 0.276 44 K C -0.348 176.251 176.600 -0.002 0.000 1.013 44 K CA -0.270 56.017 56.287 -0.001 0.000 0.913 44 K CB 0.561 33.066 32.500 0.008 0.000 1.055 44 K HN 0.468 nan 8.250 nan 0.000 0.461 45 R N 2.135 122.617 120.500 -0.030 0.000 2.441 45 R HA 0.329 4.669 4.340 -0.001 0.000 0.284 45 R C -0.448 175.812 176.300 -0.068 0.000 1.070 45 R CA -0.148 55.929 56.100 -0.038 0.000 1.047 45 R CB 1.099 31.369 30.300 -0.050 0.000 1.016 45 R HN 1.018 nan 8.270 nan 0.000 0.477 46 S N -0.161 115.495 115.700 -0.073 0.000 2.752 46 S HA 0.200 4.670 4.470 -0.001 0.000 0.284 46 S C -0.100 174.400 174.600 -0.167 0.000 1.189 46 S CA -0.957 57.123 58.200 -0.201 0.000 0.835 46 S CB 1.366 64.484 63.200 -0.137 0.000 1.192 46 S HN 0.484 nan 8.310 nan 0.000 0.506 47 D N 0.724 120.925 120.400 -0.332 0.000 2.312 47 D HA 0.143 4.783 4.640 -0.001 0.000 0.211 47 D C 1.525 177.923 176.300 0.162 0.000 0.964 47 D CA 1.246 55.202 54.000 -0.073 0.000 0.877 47 D CB -0.174 40.576 40.800 -0.082 0.000 0.924 47 D HN 0.664 nan 8.370 nan 0.000 0.515 48 A N 0.172 123.190 122.820 0.330 0.000 2.307 48 A HA 0.506 4.825 4.320 -0.001 0.000 0.218 48 A C 1.169 178.840 177.584 0.146 0.000 1.228 48 A CA 0.750 52.957 52.037 0.285 0.000 0.857 48 A CB -0.058 19.148 19.000 0.343 0.000 0.897 48 A HN 0.246 nan 8.150 nan 0.000 0.495 49 G N -1.338 107.519 108.800 0.096 0.000 2.685 49 G HA2 0.338 4.297 3.960 -0.001 0.000 0.387 49 G HA3 0.338 4.297 3.960 -0.001 0.000 0.387 49 G C 0.172 175.100 174.900 0.046 0.000 1.324 49 G CA -0.421 44.709 45.100 0.050 0.000 0.878 49 G HN 1.679 nan 8.290 nan 0.000 0.527 50 A N -0.735 122.099 122.820 0.023 0.000 2.546 50 A HA 0.520 4.840 4.320 -0.001 0.000 0.243 50 A C 0.100 177.702 177.584 0.030 0.000 1.063 50 A CA 0.668 52.716 52.037 0.019 0.000 0.757 50 A CB 0.316 19.319 19.000 0.004 0.000 0.991 50 A HN 1.583 nan 8.150 nan 0.000 0.503 51 L N 3.034 124.286 121.223 0.048 0.000 2.346 51 L HA 0.474 4.814 4.340 -0.001 0.000 0.276 51 L C -0.121 176.785 176.870 0.061 0.000 1.006 51 L CA -0.154 54.721 54.840 0.058 0.000 0.817 51 L CB 1.773 43.899 42.059 0.112 0.000 1.272 51 L HN 0.711 nan 8.230 nan 0.000 0.421 55 A N 0.380 123.131 122.820 -0.115 0.000 2.548 55 A HA 0.465 4.785 4.320 -0.001 0.000 0.247 55 A C 1.247 178.862 177.584 0.051 0.000 1.067 55 A CA 0.757 52.766 52.037 -0.047 0.000 0.757 55 A CB 0.383 19.367 19.000 -0.027 0.000 0.996 55 A HN 0.454 nan 8.150 nan 0.000 0.504 56 Q N 0.548 120.374 119.800 0.043 0.000 2.226 56 Q HA 0.136 4.476 4.340 -0.001 0.000 0.199 56 Q C -0.285 175.859 176.000 0.241 0.000 0.945 56 Q CA 1.423 57.319 55.803 0.156 0.000 0.861 56 Q CB 0.048 28.931 28.738 0.241 0.000 0.953 56 Q HN 0.962 nan 8.270 nan 0.000 0.490 57 Y N -1.770 118.574 120.300 0.073 0.000 2.713 57 Y HA 0.564 5.114 4.550 -0.000 0.000 0.335 57 Y C -1.423 174.598 175.900 0.201 0.000 1.222 57 Y CA -2.767 55.399 58.100 0.110 0.000 1.061 57 Y CB 0.460 39.091 38.460 0.285 0.000 1.314 57 Y HN -0.082 nan 8.280 nan 0.000 0.453 58 F N -0.834 119.257 119.950 0.235 0.000 2.619 58 F HA 0.850 5.377 4.527 -0.000 0.000 0.308 58 F C -0.928 175.139 175.800 0.445 0.000 1.097 58 F CA -0.861 57.235 58.000 0.160 0.000 0.953 58 F CB 1.512 40.614 39.000 0.172 0.000 1.287 58 F HN 0.773 nan 8.300 nan 0.000 0.446 59 T N -0.296 114.607 114.554 0.582 0.000 2.943 59 T HA 0.824 5.174 4.350 -0.001 0.000 0.284 59 T C -0.431 174.687 174.700 0.697 0.000 1.015 59 T CA -0.459 61.994 62.100 0.588 0.000 1.042 59 T CB 1.666 70.745 68.868 0.352 0.000 1.055 59 T HN 1.295 nan 8.240 nan 0.000 0.500 60 A N 1.594 124.789 122.820 0.625 0.000 2.508 60 A HA 0.498 4.818 4.320 -0.001 0.000 0.336 60 A C 1.076 178.854 177.584 0.323 0.000 1.360 60 A CA -0.917 51.433 52.037 0.522 0.000 0.841 60 A CB 0.234 19.334 19.000 0.166 0.000 1.136 60 A HN 0.906 nan 8.150 nan 0.000 0.489 61 R N 0.997 121.662 120.500 0.276 0.000 2.052 61 R HA 0.020 4.360 4.340 -0.001 0.000 0.224 61 R C 0.703 177.087 176.300 0.140 0.000 1.149 61 R CA 0.528 56.730 56.100 0.169 0.000 0.962 61 R CB -0.079 30.296 30.300 0.124 0.000 0.856 61 R HN 0.799 nan 8.270 nan 0.000 0.433 62 D N 1.170 121.665 120.400 0.159 0.000 2.443 62 D HA -0.096 4.543 4.640 -0.001 0.000 0.239 62 D C 0.667 177.027 176.300 0.101 0.000 1.136 62 D CA 0.262 54.341 54.000 0.132 0.000 0.879 62 D CB 1.012 41.908 40.800 0.160 0.000 1.195 62 D HN 0.043 nan 8.370 nan 0.000 0.443 63 R N 3.231 123.766 120.500 0.058 0.000 2.115 63 R HA -0.115 4.225 4.340 -0.001 0.000 0.230 63 R C 1.939 178.218 176.300 -0.036 0.000 1.111 63 R CA 0.945 57.049 56.100 0.007 0.000 0.976 63 R CB 0.160 30.466 30.300 0.011 0.000 0.870 63 R HN 0.479 nan 8.270 nan 0.000 0.445 64 R N -0.818 119.698 120.500 0.026 0.000 2.075 64 R HA -0.060 4.279 4.340 -0.001 0.000 0.226 64 R C 2.080 178.254 176.300 -0.210 0.000 1.114 64 R CA 1.187 57.298 56.100 0.018 0.000 0.972 64 R CB -0.381 30.048 30.300 0.215 0.000 0.869 64 R HN 0.154 nan 8.270 nan 0.000 0.437 65 F N 1.613 121.369 119.950 -0.323 0.000 2.134 65 F HA -0.107 4.419 4.527 -0.001 0.000 0.299 65 F C 2.080 177.451 175.800 -0.715 0.000 1.097 65 F CA 1.179 58.700 58.000 -0.798 0.000 1.264 65 F CB -0.495 38.276 39.000 -0.381 0.000 1.001 65 F HN -0.012 nan 8.300 nan 0.000 0.479 66 A N -0.284 122.174 122.820 -0.603 0.000 1.877 66 A HA -0.183 4.136 4.320 -0.001 0.000 0.216 66 A C 2.220 179.419 177.584 -0.642 0.000 1.186 66 A CA 2.370 54.053 52.037 -0.590 0.000 0.620 66 A CB -1.486 17.376 19.000 -0.230 0.000 0.822 66 A HN 0.440 nan 8.150 nan 0.000 0.443 67 T N 0.598 114.860 114.554 -0.487 0.000 2.665 67 T HA -0.121 4.229 4.350 -0.001 0.000 0.268 67 T C 2.184 176.514 174.700 -0.617 0.000 1.035 67 T CA 1.857 63.707 62.100 -0.417 0.000 1.151 67 T CB -0.555 68.155 68.868 -0.263 0.000 0.862 67 T HN 0.627 nan 8.240 nan 0.000 0.438 68 A N 0.825 123.107 122.820 -0.897 0.000 1.933 68 A HA -0.033 4.287 4.320 -0.001 0.000 0.218 68 A C 2.600 179.169 177.584 -1.691 0.000 1.175 68 A CA 1.280 52.553 52.037 -1.273 0.000 0.628 68 A CB -0.944 17.066 19.000 -1.650 0.000 0.814 68 A HN 0.372 nan 8.150 nan 0.000 0.444 69 V N -0.212 118.774 119.914 -1.546 0.000 2.358 69 V HA -0.231 3.889 4.120 -0.001 0.000 0.246 69 V C 2.389 178.032 176.094 -0.752 0.000 1.047 69 V CA 2.352 63.947 62.300 -1.173 0.000 1.035 69 V CB -0.587 30.494 31.823 -1.236 0.000 0.658 69 V HN 0.526 nan 8.190 nan 0.000 0.452 70 K N -0.150 119.858 120.400 -0.653 0.000 2.283 70 K HA -0.182 4.138 4.320 -0.001 0.000 0.202 70 K C 2.194 178.637 176.600 -0.262 0.000 1.048 70 K CA 1.090 57.146 56.287 -0.386 0.000 0.948 70 K CB -0.133 32.203 32.500 -0.273 0.000 0.742 70 K HN 0.561 nan 8.250 nan 0.000 0.458 71 Q N -0.402 119.193 119.800 -0.341 0.000 2.096 71 Q HA -0.131 4.209 4.340 -0.001 0.000 0.197 71 Q C 1.264 177.238 176.000 -0.043 0.000 0.964 71 Q CA 0.995 56.675 55.803 -0.206 0.000 0.838 71 Q CB 0.079 28.653 28.738 -0.273 0.000 0.906 71 Q HN 0.346 nan 8.270 nan 0.000 0.444 72 W N 1.654 122.873 121.300 -0.136 0.000 2.388 72 W HA -0.147 4.513 4.660 -0.001 0.000 0.294 72 W C 2.258 178.743 176.519 -0.057 0.000 1.212 72 W CA 1.087 58.404 57.345 -0.048 0.000 1.271 72 W CB -0.944 28.486 29.460 -0.050 0.000 1.126 72 W HN 0.458 nan 8.180 nan 0.000 0.535 73 Q N 0.793 120.659 119.800 0.110 0.000 2.050 73 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 73 Q C 2.173 178.191 176.000 0.031 0.000 0.980 73 Q CA 2.336 58.181 55.803 0.069 0.000 0.840 73 Q CB -0.545 28.209 28.738 0.027 0.000 0.898 73 Q HN 0.089 nan 8.270 nan 0.000 0.424 74 A N 0.728 123.550 122.820 0.003 0.000 2.015 74 A HA -0.177 4.142 4.320 -0.001 0.000 0.219 74 A C 1.931 179.497 177.584 -0.029 0.000 1.163 74 A CA 1.394 53.425 52.037 -0.010 0.000 0.646 74 A CB -0.396 18.593 19.000 -0.019 0.000 0.806 74 A HN 0.570 nan 8.150 nan 0.000 0.448 75 Q N -1.905 117.880 119.800 -0.024 0.000 2.369 75 Q HA 0.166 4.506 4.340 -0.001 0.000 0.206 75 Q C 1.212 176.981 176.000 -0.385 0.000 0.963 75 Q CA 0.610 56.344 55.803 -0.115 0.000 0.894 75 Q CB -0.013 28.760 28.738 0.058 0.000 0.965 75 Q HN 0.902 nan 8.270 nan 0.000 0.475 76 G N -0.076 108.568 108.800 -0.261 0.000 2.141 76 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.231 76 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.231 76 G C 0.302 175.047 174.900 -0.259 0.000 0.984 76 G CA 0.239 45.191 45.100 -0.246 0.000 0.660 76 G HN 0.420 nan 8.290 nan 0.000 0.525 77 H N -1.096 118.014 119.070 0.067 0.000 2.622 77 H HA 0.460 5.016 4.556 -0.001 0.000 0.269 77 H C 0.774 176.139 175.328 0.061 0.000 0.977 77 H CA 0.786 56.851 56.048 0.029 0.000 1.179 77 H CB 0.894 30.629 29.762 -0.044 0.000 1.458 77 H HN 0.346 nan 8.280 nan 0.000 0.531 78 V N 0.300 120.337 119.914 0.205 0.000 3.007 78 V HA 0.775 4.895 4.120 -0.001 0.000 0.311 78 V C -0.496 175.745 176.094 0.245 0.000 1.120 78 V CA -0.951 61.495 62.300 0.244 0.000 0.980 78 V CB 2.242 34.261 31.823 0.326 0.000 1.033 78 V HN 0.357 nan 8.190 nan 0.000 0.429 79 A N 1.583 124.578 122.820 0.291 0.000 2.572 79 A HA 0.730 5.050 4.320 -0.001 0.000 0.295 79 A C -0.830 176.935 177.584 0.301 0.000 1.072 79 A CA -0.574 51.634 52.037 0.284 0.000 0.691 79 A CB 1.646 20.740 19.000 0.156 0.000 1.291 79 A HN 0.778 nan 8.150 nan 0.000 0.404 80 E N 0.086 120.383 120.200 0.161 0.000 2.383 80 E HA 0.245 4.595 4.350 -0.001 0.000 0.264 80 E C -1.401 175.236 176.600 0.062 0.000 1.050 80 E CA -0.080 56.251 56.400 -0.116 0.000 0.896 80 E CB 0.719 30.218 29.700 -0.336 0.000 0.982 80 E HN 0.550 nan 8.360 nan 0.000 0.424 81 W N 2.816 123.994 121.300 -0.203 0.000 2.702 81 W HA 0.265 4.924 4.660 -0.001 0.000 0.331 81 W C -0.736 175.694 176.519 -0.147 0.000 1.049 81 W CA -0.912 56.355 57.345 -0.130 0.000 1.230 81 W CB 1.499 30.908 29.460 -0.086 0.000 1.408 81 W HN 0.352 nan 8.180 nan 0.000 0.492 82 T N 3.997 118.310 114.554 -0.402 0.000 3.427 82 T HA 0.369 4.719 4.350 -0.001 0.000 0.306 82 T C -2.435 171.894 174.700 -0.618 0.000 1.733 82 T CA -1.784 60.031 62.100 -0.475 0.000 1.599 82 T CB 0.350 69.086 68.868 -0.219 0.000 0.964 82 T HN 0.321 nan 8.240 nan 0.000 0.701 83 P HA 0.183 nan 4.420 nan 0.000 0.276 83 P C 0.050 177.129 177.300 -0.369 0.000 1.264 83 P CA -0.585 62.025 63.100 -0.817 0.000 0.769 83 P CB 0.809 31.666 31.700 -1.406 0.000 0.840 84 L N 5.114 126.237 121.223 -0.168 0.000 2.704 84 L HA 0.083 4.423 4.340 -0.001 0.000 0.279 84 L C 0.880 177.831 176.870 0.136 0.000 1.147 84 L CA 0.598 55.445 54.840 0.012 0.000 0.994 84 L CB -0.965 41.176 42.059 0.136 0.000 1.332 84 L HN 0.341 nan 8.230 nan 0.000 0.471 85 L N 4.606 125.882 121.223 0.087 0.000 2.399 85 L HA 0.434 4.774 4.340 -0.001 0.000 0.266 85 L C -0.265 176.794 176.870 0.315 0.000 1.114 85 L CA -0.546 54.413 54.840 0.198 0.000 0.804 85 L CB 0.800 43.014 42.059 0.259 0.000 1.146 85 L HN 0.363 nan 8.230 nan 0.000 0.451 86 Y N -0.116 120.240 120.300 0.094 0.000 2.805 86 Y HA 0.414 4.964 4.550 -0.001 0.000 0.323 86 Y C -0.194 175.842 175.900 0.227 0.000 1.279 86 Y CA -1.090 57.087 58.100 0.130 0.000 1.103 86 Y CB 2.127 40.639 38.460 0.086 0.000 1.324 86 Y HN 0.572 nan 8.280 nan 0.000 0.498 87 N N 0.312 119.245 118.700 0.388 0.000 2.324 87 N HA 0.143 4.883 4.740 -0.001 0.000 0.285 87 N C -2.354 173.390 175.510 0.390 0.000 1.076 87 N CA -0.343 52.932 53.050 0.375 0.000 0.864 87 N CB 1.876 40.538 38.487 0.292 0.000 1.632 87 N HN 0.531 nan 8.380 nan 0.000 0.478 88 F N 3.911 123.990 119.950 0.214 0.000 2.308 88 F HA 0.383 4.910 4.527 -0.001 0.000 0.370 88 F C 0.194 176.120 175.800 0.210 0.000 1.100 88 F CA -0.184 57.918 58.000 0.170 0.000 1.108 88 F CB 0.372 39.446 39.000 0.124 0.000 1.293 88 F HN 0.857 nan 8.300 nan 0.000 0.478 89 H N 3.601 122.504 119.070 -0.278 0.000 1.775 89 H HA 0.491 5.046 4.556 -0.001 0.000 0.164 89 H C -0.296 174.847 175.328 -0.309 0.000 0.968 89 H CA 0.808 56.682 56.048 -0.290 0.000 1.007 89 H CB 0.435 30.149 29.762 -0.080 0.000 0.967 89 H HN 0.344 nan 8.280 nan 0.000 0.327 90 A N 1.084 123.735 122.820 -0.283 0.000 3.219 90 A HA 0.656 4.976 4.320 -0.001 0.000 0.314 90 A C 0.380 177.901 177.584 -0.104 0.000 1.081 90 A CA 0.097 51.982 52.037 -0.254 0.000 0.995 90 A CB -0.940 17.994 19.000 -0.110 0.000 1.067 90 A HN 1.080 nan 8.150 nan 0.000 0.533 91 G N 0.757 109.474 108.800 -0.140 0.000 2.728 91 G HA2 0.011 3.971 3.960 -0.001 0.000 0.686 91 G HA3 0.011 3.971 3.960 -0.001 0.000 0.686 91 G C -0.186 174.846 174.900 0.220 0.000 1.337 91 G CA -0.327 44.829 45.100 0.093 0.000 0.861 91 G HN 1.892 nan 8.290 nan 0.000 0.597 92 R N 2.108 122.857 120.500 0.415 0.000 2.402 92 R HA 0.500 4.840 4.340 -0.001 0.000 0.331 92 R C 0.742 177.211 176.300 0.282 0.000 1.040 92 R CA -0.295 56.040 56.100 0.391 0.000 0.980 92 R CB 0.363 30.859 30.300 0.328 0.000 0.967 92 R HN 0.477 nan 8.270 nan 0.000 0.440 93 L N 1.912 123.279 121.223 0.240 0.000 2.855 93 L HA 0.281 4.621 4.340 -0.001 0.000 0.204 93 L C 0.604 177.542 176.870 0.113 0.000 1.206 93 L CA -0.465 54.463 54.840 0.147 0.000 0.942 93 L CB 1.049 43.160 42.059 0.087 0.000 1.832 93 L HN 0.820 nan 8.230 nan 0.000 0.522 94 S N 0.370 115.984 115.700 -0.144 0.000 2.499 94 S HA 0.316 4.786 4.470 -0.001 0.000 0.238 94 S C -2.382 172.004 174.600 -0.356 0.000 1.205 94 S CA -1.188 56.626 58.200 -0.644 0.000 1.203 94 S CB -0.253 62.487 63.200 -0.767 0.000 0.954 94 S HN 0.221 nan 8.310 nan 0.000 0.484 95 P HA 0.219 nan 4.420 nan 0.000 0.270 95 P C -0.679 176.633 177.300 0.021 0.000 1.242 95 P CA 0.228 63.317 63.100 -0.017 0.000 0.768 95 P CB 0.821 32.558 31.700 0.063 0.000 0.820 96 S N 3.346 119.031 115.700 -0.025 0.000 2.595 96 S HA 0.822 5.292 4.470 -0.001 0.000 0.281 96 S C -2.859 171.725 174.600 -0.026 0.000 1.117 96 S CA -1.508 56.693 58.200 0.002 0.000 0.873 96 S CB 1.520 64.695 63.200 -0.042 0.000 1.108 96 S HN 0.082 nan 8.310 nan 0.000 0.477 97 P HA 0.452 nan 4.420 nan 0.000 0.195 97 P C -0.626 176.640 177.300 -0.057 0.000 1.887 97 P CA -0.440 62.634 63.100 -0.044 0.000 1.161 97 P CB 0.439 32.113 31.700 -0.044 0.000 1.759 98 D N 0.622 120.983 120.400 -0.064 0.000 2.411 98 D HA -0.133 4.506 4.640 -0.001 0.000 0.226 98 D C 1.081 177.337 176.300 -0.073 0.000 0.988 98 D CA 0.814 54.766 54.000 -0.079 0.000 0.938 98 D CB 0.520 41.278 40.800 -0.070 0.000 0.883 98 D HN 0.412 nan 8.370 nan 0.000 0.525 99 E N 0.847 121.011 120.200 -0.059 0.000 2.007 99 E HA -0.040 4.310 4.350 -0.001 0.000 0.204 99 E C 0.903 177.475 176.600 -0.047 0.000 0.933 99 E CA 0.172 56.544 56.400 -0.046 0.000 0.924 99 E CB -0.469 29.211 29.700 -0.034 0.000 0.868 99 E HN 0.085 nan 8.360 nan 0.000 0.535 100 Q N 1.823 121.607 119.800 -0.026 0.000 2.687 100 Q HA -0.045 4.295 4.340 -0.001 0.000 0.341 100 Q C -0.661 175.312 176.000 -0.045 0.000 1.074 100 Q CA 0.315 56.116 55.803 -0.003 0.000 1.115 100 Q CB -0.065 28.698 28.738 0.041 0.000 0.996 100 Q HN 0.063 nan 8.270 nan 0.000 0.397 101 V N 5.995 125.868 119.914 -0.069 0.000 2.572 101 V HA 0.098 4.218 4.120 -0.001 0.000 0.291 101 V C 0.832 176.768 176.094 -0.263 0.000 1.039 101 V CA 0.303 62.471 62.300 -0.220 0.000 1.055 101 V CB 0.604 32.266 31.823 -0.267 0.000 0.969 101 V HN 0.586 nan 8.190 nan 0.000 0.482 102 R N 3.172 123.453 120.500 -0.365 0.000 2.664 102 R HA 0.591 4.930 4.340 -0.001 0.000 0.286 102 R C -1.567 174.465 176.300 -0.447 0.000 0.967 102 R CA -0.563 55.423 56.100 -0.190 0.000 0.933 102 R CB 2.033 32.364 30.300 0.052 0.000 1.146 102 R HN 0.654 nan 8.270 nan 0.000 0.468 103 W N 1.267 122.475 121.300 -0.154 0.000 2.844 103 W HA 0.571 5.230 4.660 -0.000 0.000 0.340 103 W C -0.586 175.573 176.519 -0.600 0.000 1.093 103 W CA -0.747 56.340 57.345 -0.429 0.000 1.212 103 W CB 1.904 30.919 29.460 -0.741 0.000 1.422 103 W HN 0.315 nan 8.180 nan 0.000 0.515 104 V N -0.382 119.511 119.914 -0.036 0.000 3.049 104 V HA 0.951 5.071 4.120 -0.001 0.000 0.309 104 V C 0.021 176.188 176.094 0.122 0.000 1.148 104 V CA -1.231 61.066 62.300 -0.004 0.000 0.990 104 V CB 1.045 32.814 31.823 -0.091 0.000 1.039 104 V HN 0.810 nan 8.190 nan 0.000 0.430 105 G N 1.162 110.055 108.800 0.154 0.000 2.441 105 G HA2 0.356 4.316 3.960 -0.001 0.000 0.243 105 G HA3 0.356 4.316 3.960 -0.001 0.000 0.243 105 G C 0.322 175.271 174.900 0.081 0.000 1.281 105 G CA 0.198 45.377 45.100 0.132 0.000 0.854 105 G HN 1.102 nan 8.290 nan 0.000 0.560 106 K N 2.307 122.767 120.400 0.099 0.000 1.969 106 K HA -0.062 4.258 4.320 -0.001 0.000 0.223 106 K C -0.082 176.543 176.600 0.041 0.000 1.048 106 K CA 1.754 58.086 56.287 0.075 0.000 0.983 106 K CB -0.986 31.567 32.500 0.088 0.000 0.738 106 K HN 0.348 nan 8.250 nan 0.000 0.446 107 P HA 0.066 nan 4.420 nan 0.000 0.216 107 P C 0.063 177.365 177.300 0.003 0.000 1.153 107 P CA 1.350 64.464 63.100 0.023 0.000 0.844 107 P CB 0.178 31.895 31.700 0.028 0.000 0.787 111 A N 2.601 125.383 122.820 -0.063 0.000 1.971 111 A HA -0.005 4.315 4.320 -0.001 0.000 0.222 111 A C 1.963 179.407 177.584 -0.235 0.000 1.182 111 A CA 1.982 53.958 52.037 -0.101 0.000 0.649 111 A CB -1.139 17.862 19.000 0.002 0.000 0.818 111 A HN 0.705 nan 8.150 nan 0.000 0.458 112 I N -0.208 120.214 120.570 -0.246 0.000 2.202 112 I HA -0.227 3.942 4.170 -0.001 0.000 0.242 112 I C 2.847 178.680 176.117 -0.473 0.000 1.091 112 I CA 1.898 62.902 61.300 -0.493 0.000 1.368 112 I CB -0.710 36.949 38.000 -0.568 0.000 1.058 112 I HN 0.564 nan 8.210 nan 0.000 0.410 113 T N -1.341 113.044 114.554 -0.281 0.000 2.942 113 T HA -0.120 4.230 4.350 -0.001 0.000 0.265 113 T C 1.961 176.570 174.700 -0.152 0.000 1.062 113 T CA 0.623 62.613 62.100 -0.184 0.000 1.139 113 T CB -0.249 68.561 68.868 -0.096 0.000 0.883 113 T HN 0.078 nan 8.240 nan 0.000 0.468 114 R N 2.906 123.310 120.500 -0.160 0.000 2.096 114 R HA 0.287 4.627 4.340 -0.001 0.000 0.235 114 R C 1.164 177.355 176.300 -0.182 0.000 1.127 114 R CA 1.050 57.070 56.100 -0.133 0.000 0.968 114 R CB -1.263 28.962 30.300 -0.124 0.000 0.861 114 R HN 0.601 nan 8.270 nan 0.000 0.440 118 G N 1.761 110.538 108.800 -0.039 0.000 2.611 118 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.301 118 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.301 118 G C -0.515 174.373 174.900 -0.021 0.000 1.233 118 G CA 0.818 45.903 45.100 -0.026 0.000 0.993 118 G HN 0.431 nan 8.290 nan 0.000 0.553 122 V N 0.660 120.201 119.914 -0.621 0.000 2.888 122 V HA 0.680 4.800 4.120 -0.001 0.000 0.309 122 V C -0.932 174.746 176.094 -0.694 0.000 1.114 122 V CA -0.201 61.595 62.300 -0.840 0.000 0.940 122 V CB 2.415 33.726 31.823 -0.854 0.000 1.021 122 V HN 0.700 nan 8.190 nan 0.000 0.426 123 S N 6.221 121.502 115.700 -0.699 0.000 2.594 123 S HA 0.647 5.117 4.470 -0.001 0.000 0.322 123 S C -0.807 173.630 174.600 -0.272 0.000 1.085 123 S CA -0.243 57.772 58.200 -0.308 0.000 1.116 123 S CB 0.477 63.636 63.200 -0.067 0.000 0.979 123 S HN 0.514 nan 8.310 nan 0.000 0.465 124 F N 1.483 121.444 119.950 0.018 0.000 2.370 124 F HA 0.366 4.893 4.527 -0.000 0.000 0.319 124 F C 1.631 177.468 175.800 0.063 0.000 1.129 124 F CA -0.857 57.162 58.000 0.032 0.000 1.109 124 F CB 0.560 39.566 39.000 0.009 0.000 1.262 124 F HN 0.566 nan 8.300 nan 0.000 0.534 125 S N -0.310 115.569 115.700 0.298 0.000 3.581 125 S HA -0.227 4.243 4.470 -0.001 0.000 0.354 125 S C -0.388 174.311 174.600 0.164 0.000 1.059 125 S CA 0.545 58.853 58.200 0.180 0.000 1.060 125 S CB -1.610 61.676 63.200 0.144 0.000 0.908 125 S HN 0.760 nan 8.310 nan 0.000 0.475 126 C N 2.366 121.771 119.300 0.175 0.000 2.386 126 C HA 0.592 5.052 4.460 -0.001 0.000 0.318 126 C C 0.224 175.281 174.990 0.112 0.000 1.128 126 C CA -0.810 58.303 59.018 0.158 0.000 1.438 126 C CB 0.300 28.164 27.740 0.206 0.000 1.987 126 C HN 0.607 nan 8.230 nan 0.000 0.426 127 R N 6.163 126.713 120.500 0.083 0.000 2.202 127 R HA 0.463 4.803 4.340 -0.001 0.000 0.334 127 R C -0.255 176.051 176.300 0.010 0.000 1.036 127 R CA -0.501 55.630 56.100 0.052 0.000 0.878 127 R CB 0.368 30.702 30.300 0.057 0.000 1.067 127 R HN 0.690 nan 8.270 nan 0.000 0.457 128 I N 5.007 125.552 120.570 -0.040 0.000 2.441 128 I HA 0.038 4.208 4.170 -0.001 0.000 0.287 128 I C 1.575 177.681 176.117 -0.019 0.000 1.049 128 I CA 0.135 61.387 61.300 -0.080 0.000 1.381 128 I CB 1.110 38.996 38.000 -0.190 0.000 1.409 128 I HN 0.776 nan 8.210 nan 0.000 0.523 129 T N 1.419 115.981 114.554 0.012 0.000 2.955 129 T HA 0.272 4.622 4.350 -0.001 0.000 0.251 129 T C 0.421 175.153 174.700 0.052 0.000 1.002 129 T CA -0.053 62.066 62.100 0.031 0.000 0.970 129 T CB 0.619 69.511 68.868 0.041 0.000 1.091 129 T HN 0.490 nan 8.240 nan 0.000 0.495 130 E N 0.864 121.116 120.200 0.086 0.000 2.308 130 E HA 0.609 4.959 4.350 -0.001 0.000 0.275 130 E C -1.720 175.004 176.600 0.208 0.000 0.890 130 E CA -0.733 55.766 56.400 0.164 0.000 0.754 130 E CB 2.848 32.682 29.700 0.223 0.000 1.207 130 E HN 0.065 nan 8.360 nan 0.000 0.426 131 V N 3.899 123.956 119.914 0.239 0.000 2.398 131 V HA 0.407 4.527 4.120 -0.001 0.000 0.282 131 V C -1.000 175.330 176.094 0.393 0.000 1.014 131 V CA -0.776 61.654 62.300 0.217 0.000 0.838 131 V CB -0.091 31.787 31.823 0.092 0.000 1.018 131 V HN 0.564 nan 8.190 nan 0.000 0.432 132 F N 2.165 122.284 119.950 0.281 0.000 2.593 132 F HA 0.850 5.376 4.527 -0.001 0.000 0.320 132 F C -0.414 175.376 175.800 -0.017 0.000 1.060 132 F CA -1.520 56.577 58.000 0.162 0.000 0.940 132 F CB 1.486 40.516 39.000 0.049 0.000 1.268 132 F HN 0.277 nan 8.300 nan 0.000 0.475 133 R N 0.715 121.021 120.500 -0.323 0.000 2.532 133 R HA 0.704 5.043 4.340 -0.001 0.000 0.295 133 R C 0.193 176.310 176.300 -0.304 0.000 0.968 133 R CA -0.545 55.099 56.100 -0.760 0.000 0.916 133 R CB 1.608 31.074 30.300 -1.390 0.000 1.124 133 R HN 1.098 nan 8.270 nan 0.000 0.463 134 G N 0.698 109.314 108.800 -0.307 0.000 2.773 134 G HA2 0.044 4.003 3.960 -0.001 0.000 0.186 134 G HA3 0.044 4.003 3.960 -0.001 0.000 0.186 134 G C 0.092 174.870 174.900 -0.204 0.000 1.411 134 G CA -0.220 44.791 45.100 -0.150 0.000 1.054 134 G HN 0.713 nan 8.290 nan 0.000 0.579 135 E N -1.002 119.099 120.200 -0.165 0.000 2.158 135 E HA -0.009 4.341 4.350 -0.001 0.000 0.191 135 E C 1.960 178.434 176.600 -0.210 0.000 0.982 135 E CA 0.785 57.089 56.400 -0.161 0.000 0.823 135 E CB 0.263 29.890 29.700 -0.122 0.000 0.766 135 E HN 0.415 nan 8.360 nan 0.000 0.468 136 E N -0.933 119.094 120.200 -0.289 0.000 2.419 136 E HA 0.077 4.427 4.350 -0.001 0.000 0.197 136 E C 0.498 176.872 176.600 -0.378 0.000 0.920 136 E CA 0.212 56.380 56.400 -0.388 0.000 1.085 136 E CB 0.210 29.538 29.700 -0.621 0.000 1.084 136 E HN 0.186 nan 8.360 nan 0.000 0.490 137 H N -0.850 118.120 119.070 -0.166 0.000 2.500 137 H HA 0.250 4.806 4.556 -0.000 0.000 0.351 137 H C -0.427 174.733 175.328 -0.281 0.000 1.281 137 H CA -0.244 55.717 56.048 -0.146 0.000 1.368 137 H CB 0.179 29.888 29.762 -0.088 0.000 1.616 137 H HN 0.009 nan 8.280 nan 0.000 0.591 138 W N 0.478 121.831 121.300 0.088 0.000 2.551 138 W HA 0.305 4.965 4.660 -0.000 0.000 0.330 138 W C -0.303 176.179 176.519 -0.061 0.000 1.063 138 W CA -0.254 57.087 57.345 -0.008 0.000 1.222 138 W CB 0.977 30.481 29.460 0.074 0.000 1.349 138 W HN 0.497 nan 8.180 nan 0.000 0.536 139 N N 1.901 120.557 118.700 -0.072 0.000 2.321 139 N HA 0.750 5.489 4.740 -0.001 0.000 0.290 139 N C -1.568 173.784 175.510 -0.263 0.000 1.212 139 N CA -0.790 52.103 53.050 -0.262 0.000 0.767 139 N CB 1.801 39.876 38.487 -0.686 0.000 1.494 139 N HN 0.163 nan 8.380 nan 0.000 0.479 140 L N 0.360 121.585 121.223 0.003 0.000 2.409 140 L HA 0.627 4.967 4.340 -0.001 0.000 0.262 140 L C -1.182 175.803 176.870 0.193 0.000 0.992 140 L CA -0.848 54.021 54.840 0.047 0.000 0.817 140 L CB 1.882 43.869 42.059 -0.120 0.000 1.350 140 L HN 0.205 nan 8.230 nan 0.000 0.411 141 L N 1.433 122.786 121.223 0.217 0.000 2.346 141 L HA 0.525 4.865 4.340 -0.001 0.000 0.274 141 L C -1.005 175.955 176.870 0.150 0.000 1.007 141 L CA -0.651 54.323 54.840 0.224 0.000 0.818 141 L CB 2.224 44.410 42.059 0.212 0.000 1.284 141 L HN 0.701 nan 8.230 nan 0.000 0.424 142 D N 1.091 121.598 120.400 0.178 0.000 2.442 142 D HA 0.365 5.004 4.640 -0.001 0.000 0.254 142 D C 0.658 177.018 176.300 0.100 0.000 1.069 142 D CA -0.588 53.486 54.000 0.122 0.000 1.017 142 D CB 1.426 42.339 40.800 0.188 0.000 1.172 142 D HN 0.472 nan 8.370 nan 0.000 0.561 143 A N -0.413 122.455 122.820 0.080 0.000 2.272 143 A HA -0.119 4.201 4.320 -0.001 0.000 0.213 143 A C 1.194 178.816 177.584 0.064 0.000 1.183 143 A CA 0.888 52.964 52.037 0.064 0.000 0.719 143 A CB -0.588 18.445 19.000 0.056 0.000 0.771 143 A HN 0.478 nan 8.150 nan 0.000 0.484 144 E N -1.393 118.856 120.200 0.081 0.000 2.474 144 E HA 0.200 4.550 4.350 -0.001 0.000 0.195 144 E C 1.245 177.877 176.600 0.053 0.000 1.039 144 E CA 0.582 57.022 56.400 0.067 0.000 0.881 144 E CB -0.177 29.572 29.700 0.082 0.000 0.970 144 E HN 0.748 nan 8.360 nan 0.000 0.486 145 G N 1.837 110.672 108.800 0.059 0.000 2.153 145 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.252 145 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.252 145 G C 0.184 175.105 174.900 0.036 0.000 0.994 145 G CA 0.119 45.245 45.100 0.044 0.000 0.698 145 G HN 0.150 nan 8.290 nan 0.000 0.521 146 Q N 0.350 120.174 119.800 0.039 0.000 2.241 146 Q HA 0.328 4.668 4.340 -0.001 0.000 0.254 146 Q C 0.369 176.319 176.000 -0.083 0.000 0.917 146 Q CA -0.600 55.183 55.803 -0.033 0.000 0.919 146 Q CB 1.004 29.708 28.738 -0.057 0.000 1.237 146 Q HN 0.394 nan 8.270 nan 0.000 0.434 147 N N 1.384 120.007 118.700 -0.128 0.000 2.445 147 N HA 0.243 4.983 4.740 -0.001 0.000 0.264 147 N C -0.609 174.679 175.510 -0.370 0.000 1.227 147 N CA 0.092 53.089 53.050 -0.088 0.000 0.963 147 N CB 0.768 39.252 38.487 -0.005 0.000 1.188 147 N HN 0.394 nan 8.380 nan 0.000 0.491 148 H N -0.847 118.261 119.070 0.063 0.000 3.042 148 H HA 0.472 5.027 4.556 -0.001 0.000 0.345 148 H C 0.024 175.314 175.328 -0.063 0.000 1.052 148 H CA -0.599 55.511 56.048 0.104 0.000 1.311 148 H CB 1.595 31.515 29.762 0.264 0.000 1.810 148 H HN 0.846 nan 8.280 nan 0.000 0.505 149 G N 2.871 111.440 108.800 -0.384 0.000 2.356 149 G HA2 0.109 4.068 3.960 -0.001 0.000 0.288 149 G HA3 0.109 4.068 3.960 -0.001 0.000 0.288 149 G C -2.866 171.659 174.900 -0.624 0.000 1.302 149 G CA -0.957 43.575 45.100 -0.945 0.000 0.887 149 G HN 0.422 nan 8.290 nan 0.000 0.521 150 P HA 0.784 nan 4.420 nan 0.000 0.276 150 P C -1.457 175.330 177.300 -0.855 0.000 1.261 150 P CA -0.245 62.472 63.100 -0.639 0.000 0.800 150 P CB 0.820 32.133 31.700 -0.646 0.000 1.066 151 F N -1.138 118.787 119.950 -0.041 0.000 2.578 151 F HA 0.198 4.725 4.527 -0.000 0.000 0.311 151 F C 1.575 177.450 175.800 0.126 0.000 1.094 151 F CA -0.586 57.444 58.000 0.049 0.000 0.923 151 F CB 1.686 40.756 39.000 0.117 0.000 1.230 151 F HN 0.308 nan 8.300 nan 0.000 0.450 152 S N 0.140 116.006 115.700 0.276 0.000 2.425 152 S HA 0.142 4.611 4.470 -0.001 0.000 0.225 152 S C 0.236 174.727 174.600 -0.183 0.000 1.024 152 S CA 0.739 58.986 58.200 0.078 0.000 0.951 152 S CB -0.316 62.895 63.200 0.018 0.000 0.796 152 S HN 0.648 nan 8.310 nan 0.000 0.498 153 H N -1.042 118.170 119.070 0.238 0.000 2.990 153 H HA 0.643 5.199 4.556 -0.000 0.000 0.336 153 H C -1.690 173.487 175.328 -0.252 0.000 1.306 153 H CA -0.769 55.255 56.048 -0.040 0.000 1.118 153 H CB 1.807 31.578 29.762 0.014 0.000 1.856 153 H HN 0.048 nan 8.280 nan 0.000 0.538 154 V N 2.325 122.033 119.914 -0.343 0.000 2.709 154 V HA 0.393 4.512 4.120 -0.001 0.000 0.308 154 V C -0.123 175.850 176.094 -0.202 0.000 1.062 154 V CA -0.598 61.486 62.300 -0.360 0.000 0.901 154 V CB 2.264 33.722 31.823 -0.608 0.000 1.003 154 V HN 0.481 nan 8.190 nan 0.000 0.425 155 I N 5.224 125.699 120.570 -0.158 0.000 2.410 155 I HA 0.437 4.607 4.170 -0.001 0.000 0.286 155 I C -0.810 175.247 176.117 -0.100 0.000 1.009 155 I CA -0.515 60.724 61.300 -0.102 0.000 1.111 155 I CB 1.730 39.648 38.000 -0.135 0.000 1.262 155 I HN 0.355 nan 8.210 nan 0.000 0.443 156 I N 5.656 126.181 120.570 -0.074 0.000 2.325 156 I HA 0.327 4.497 4.170 -0.001 0.000 0.291 156 I C 0.729 176.845 176.117 -0.001 0.000 1.019 156 I CA -0.110 61.165 61.300 -0.042 0.000 1.302 156 I CB 1.366 39.348 38.000 -0.029 0.000 1.401 156 I HN 0.631 nan 8.210 nan 0.000 0.485 157 A N 4.969 127.794 122.820 0.009 0.000 3.105 157 A HA 0.473 4.793 4.320 -0.001 0.000 0.297 157 A C 0.409 178.045 177.584 0.086 0.000 0.977 157 A CA -0.383 51.667 52.037 0.023 0.000 1.020 157 A CB -0.018 18.966 19.000 -0.027 0.000 1.098 157 A HN 0.727 nan 8.150 nan 0.000 0.497 158 T N -2.766 111.876 114.554 0.147 0.000 2.942 158 T HA 0.719 5.069 4.350 -0.001 0.000 0.289 158 T C -3.246 171.602 174.700 0.246 0.000 1.044 158 T CA -2.449 59.741 62.100 0.150 0.000 1.023 158 T CB 1.500 70.407 68.868 0.064 0.000 1.123 158 T HN -0.018 nan 8.240 nan 0.000 0.512 159 P HA 0.195 nan 4.420 nan 0.000 0.264 159 P C 0.930 177.968 177.300 -0.438 0.000 1.183 159 P CA 0.147 63.213 63.100 -0.057 0.000 0.763 159 P CB 0.201 31.866 31.700 -0.057 0.000 0.807 160 A N 6.956 129.063 122.820 -1.188 0.000 1.909 160 A HA -0.217 4.103 4.320 -0.001 0.000 0.221 160 A C -0.422 176.760 177.584 -0.671 0.000 1.223 160 A CA 2.282 53.545 52.037 -1.291 0.000 0.658 160 A CB -2.590 15.373 19.000 -1.728 0.000 0.831 160 A HN 0.513 nan 8.150 nan 0.000 0.462 161 P HA -0.127 nan 4.420 nan 0.000 0.220 161 P C 1.115 178.177 177.300 -0.397 0.000 1.148 161 P CA 1.411 64.198 63.100 -0.521 0.000 0.803 161 P CB -0.113 31.142 31.700 -0.742 0.000 0.782 162 Q N -1.371 118.199 119.800 -0.384 0.000 2.425 162 Q HA 0.193 4.533 4.340 -0.001 0.000 0.204 162 Q C 1.842 177.766 176.000 -0.126 0.000 0.933 162 Q CA 0.607 56.293 55.803 -0.195 0.000 0.939 162 Q CB -0.149 28.520 28.738 -0.114 0.000 1.044 162 Q HN 0.194 nan 8.270 nan 0.000 0.513 163 A N -0.071 122.654 122.820 -0.158 0.000 2.044 163 A HA 0.014 4.334 4.320 -0.001 0.000 0.213 163 A C 2.073 179.600 177.584 -0.095 0.000 1.169 163 A CA 0.441 52.423 52.037 -0.092 0.000 0.724 163 A CB 0.058 19.031 19.000 -0.044 0.000 0.840 163 A HN 0.175 nan 8.150 nan 0.000 0.463 164 S N 0.817 116.436 115.700 -0.136 0.000 2.380 164 S HA -0.209 4.261 4.470 -0.001 0.000 0.229 164 S C 2.097 176.660 174.600 -0.061 0.000 1.043 164 S CA 2.206 60.343 58.200 -0.104 0.000 1.038 164 S CB -0.812 62.317 63.200 -0.118 0.000 0.872 164 S HN 0.858 nan 8.310 nan 0.000 0.456 165 T N 0.846 115.368 114.554 -0.053 0.000 2.995 165 T HA 0.165 4.515 4.350 -0.001 0.000 0.269 165 T C 1.395 176.092 174.700 -0.004 0.000 1.091 165 T CA 0.567 62.654 62.100 -0.023 0.000 1.128 165 T CB -0.406 68.451 68.868 -0.017 0.000 0.891 165 T HN 0.300 nan 8.240 nan 0.000 0.492 166 L N 0.051 121.263 121.223 -0.017 0.000 2.612 166 L HA 0.373 4.713 4.340 -0.001 0.000 0.230 166 L C 1.138 178.008 176.870 -0.001 0.000 1.140 166 L CA 0.304 55.141 54.840 -0.006 0.000 0.896 166 L CB -0.201 41.840 42.059 -0.031 0.000 1.065 166 L HN 0.266 nan 8.230 nan 0.000 0.447 167 L N -0.775 120.446 121.223 -0.003 0.000 3.066 167 L HA 0.286 4.626 4.340 -0.001 0.000 0.265 167 L C 2.099 178.987 176.870 0.030 0.000 1.232 167 L CA -0.177 54.663 54.840 0.001 0.000 1.031 167 L CB 0.333 42.372 42.059 -0.033 0.000 1.379 167 L HN 0.103 nan 8.230 nan 0.000 0.563 168 A N 0.697 123.549 122.820 0.052 0.000 1.948 168 A HA -0.221 4.099 4.320 -0.001 0.000 0.220 168 A C 2.406 180.036 177.584 0.077 0.000 1.177 168 A CA 1.968 54.039 52.037 0.056 0.000 0.636 168 A CB -0.295 18.745 19.000 0.066 0.000 0.815 168 A HN 0.435 nan 8.150 nan 0.000 0.449 169 A N -1.383 121.519 122.820 0.136 0.000 2.172 169 A HA 0.423 4.743 4.320 -0.001 0.000 0.216 169 A C 1.320 178.978 177.584 0.123 0.000 1.154 169 A CA 1.359 53.494 52.037 0.163 0.000 0.701 169 A CB -0.469 18.722 19.000 0.318 0.000 0.789 169 A HN 1.343 nan 8.150 nan 0.000 0.465 170 A N -0.344 122.523 122.820 0.078 0.000 3.355 170 A HA 0.544 4.864 4.320 -0.001 0.000 0.290 170 A C -1.190 176.392 177.584 -0.003 0.000 0.973 170 A CA -0.589 51.467 52.037 0.031 0.000 0.933 170 A CB 0.322 19.327 19.000 0.009 0.000 1.138 170 A HN 0.159 nan 8.150 nan 0.000 0.490 171 P HA -0.277 nan 4.420 nan 0.000 0.219 171 P C 1.240 178.524 177.300 -0.026 0.000 1.151 171 P CA 1.405 64.499 63.100 -0.011 0.000 0.850 171 P CB 0.414 32.111 31.700 -0.005 0.000 0.784 172 K N -0.288 120.093 120.400 -0.032 0.000 2.025 172 K HA -0.014 4.305 4.320 -0.001 0.000 0.207 172 K C 2.415 178.973 176.600 -0.071 0.000 1.049 172 K CA 0.976 57.236 56.287 -0.045 0.000 0.933 172 K CB -0.827 31.646 32.500 -0.046 0.000 0.714 172 K HN 0.073 nan 8.250 nan 0.000 0.438 173 L N -0.106 121.067 121.223 -0.084 0.000 2.027 173 L HA -0.163 4.177 4.340 -0.001 0.000 0.206 173 L C 2.425 179.235 176.870 -0.101 0.000 1.074 173 L CA 1.255 56.025 54.840 -0.117 0.000 0.745 173 L CB -0.697 41.292 42.059 -0.117 0.000 0.898 173 L HN 0.274 nan 8.230 nan 0.000 0.433 174 A N -0.355 122.423 122.820 -0.071 0.000 1.869 174 A HA -0.338 3.982 4.320 -0.001 0.000 0.218 174 A C 2.533 180.076 177.584 -0.068 0.000 1.203 174 A CA 2.517 54.516 52.037 -0.064 0.000 0.638 174 A CB -1.095 17.880 19.000 -0.042 0.000 0.831 174 A HN 0.410 nan 8.150 nan 0.000 0.450 175 S N -1.118 114.550 115.700 -0.053 0.000 2.402 175 S HA -0.131 4.338 4.470 -0.001 0.000 0.233 175 S C 1.793 176.370 174.600 -0.037 0.000 1.030 175 S CA 1.727 59.904 58.200 -0.039 0.000 1.003 175 S CB -0.467 62.717 63.200 -0.026 0.000 0.813 175 S HN 0.310 nan 8.310 nan 0.000 0.477 176 V N 0.770 120.644 119.914 -0.067 0.000 2.535 176 V HA -0.014 4.106 4.120 -0.001 0.000 0.246 176 V C 2.353 178.410 176.094 -0.061 0.000 1.045 176 V CA 1.352 63.610 62.300 -0.071 0.000 1.058 176 V CB -0.162 31.540 31.823 -0.202 0.000 0.689 176 V HN 0.428 nan 8.190 nan 0.000 0.461 177 V N 0.354 120.199 119.914 -0.115 0.000 2.407 177 V HA -0.105 4.015 4.120 -0.001 0.000 0.245 177 V C 2.692 178.667 176.094 -0.198 0.000 1.041 177 V CA 1.591 63.784 62.300 -0.179 0.000 1.040 177 V CB -1.025 30.684 31.823 -0.190 0.000 0.671 177 V HN 0.516 nan 8.190 nan 0.000 0.455 178 A N 0.816 123.554 122.820 -0.137 0.000 2.076 178 A HA -0.115 4.205 4.320 -0.001 0.000 0.220 178 A C 2.202 179.740 177.584 -0.076 0.000 1.160 178 A CA 1.793 53.760 52.037 -0.118 0.000 0.653 178 A CB -0.915 18.038 19.000 -0.078 0.000 0.801 178 A HN 0.571 nan 8.150 nan 0.000 0.455 179 G N -1.188 107.597 108.800 -0.026 0.000 2.920 179 G HA2 0.320 4.279 3.960 -0.001 0.000 0.208 179 G HA3 0.320 4.279 3.960 -0.001 0.000 0.208 179 G C 0.281 175.211 174.900 0.049 0.000 1.159 179 G CA 0.339 45.457 45.100 0.029 0.000 0.784 179 G HN 0.247 nan 8.290 nan 0.000 0.535 180 V N 0.940 120.845 119.914 -0.016 0.000 2.432 180 V HA 0.310 4.430 4.120 -0.001 0.000 0.271 180 V C 0.469 176.524 176.094 -0.065 0.000 1.046 180 V CA -0.729 61.562 62.300 -0.015 0.000 0.945 180 V CB 1.132 32.858 31.823 -0.161 0.000 0.992 180 V HN 0.276 nan 8.190 nan 0.000 0.471 184 P HA 0.403 nan 4.420 nan 0.000 0.276 184 P C -0.681 176.658 177.300 0.064 0.000 1.261 184 P CA -0.155 62.950 63.100 0.009 0.000 0.800 184 P CB 1.052 32.722 31.700 -0.049 0.000 1.066 185 T N 0.665 115.257 114.554 0.062 0.000 3.548 185 T HA 0.160 4.510 4.350 -0.001 0.000 0.329 185 T C -1.336 173.492 174.700 0.214 0.000 0.960 185 T CA -0.182 62.010 62.100 0.155 0.000 1.041 185 T CB 0.071 68.975 68.868 0.060 0.000 1.065 185 T HN 0.302 nan 8.240 nan 0.000 0.459 186 W N 3.055 124.525 121.300 0.284 0.000 2.311 186 W HA 0.610 5.269 4.660 -0.000 0.000 0.310 186 W C 0.457 177.198 176.519 0.370 0.000 1.274 186 W CA -0.165 57.362 57.345 0.304 0.000 1.215 186 W CB 0.675 30.362 29.460 0.379 0.000 1.227 186 W HN 0.771 nan 8.180 nan 0.000 0.523 187 A N 3.081 126.306 122.820 0.675 0.000 2.337 187 A HA 0.901 5.221 4.320 -0.001 0.000 0.331 187 A C -1.410 176.519 177.584 0.576 0.000 1.137 187 A CA -0.662 51.792 52.037 0.695 0.000 0.807 187 A CB 1.484 20.958 19.000 0.790 0.000 1.250 187 A HN 0.402 nan 8.150 nan 0.000 0.468 188 V N 0.179 120.362 119.914 0.449 0.000 2.851 188 V HA 0.690 4.810 4.120 -0.001 0.000 0.307 188 V C -0.189 176.044 176.094 0.231 0.000 1.129 188 V CA -0.174 62.313 62.300 0.313 0.000 0.932 188 V CB 1.892 33.861 31.823 0.244 0.000 1.024 188 V HN 1.484 nan 8.190 nan 0.000 0.426 189 A N 5.427 128.365 122.820 0.197 0.000 2.342 189 A HA 0.974 5.294 4.320 -0.001 0.000 0.323 189 A C -1.244 176.361 177.584 0.034 0.000 1.125 189 A CA -0.510 51.610 52.037 0.138 0.000 0.785 189 A CB 1.123 20.240 19.000 0.195 0.000 1.221 189 A HN 0.773 nan 8.150 nan 0.000 0.463 190 L N 2.035 123.217 121.223 -0.068 0.000 2.376 190 L HA 0.682 5.022 4.340 -0.001 0.000 0.275 190 L C 0.222 176.728 176.870 -0.606 0.000 0.987 190 L CA -0.580 54.051 54.840 -0.348 0.000 0.828 190 L CB 1.959 43.865 42.059 -0.254 0.000 1.249 190 L HN 0.791 nan 8.230 nan 0.000 0.409 191 A N 3.127 125.372 122.820 -0.959 0.000 2.305 191 A HA 0.865 5.184 4.320 -0.001 0.000 0.322 191 A C -1.178 175.950 177.584 -0.760 0.000 1.187 191 A CA -0.213 51.333 52.037 -0.818 0.000 0.825 191 A CB 0.536 18.781 19.000 -1.259 0.000 1.164 191 A HN 0.483 nan 8.150 nan 0.000 0.498 192 F N 0.380 120.295 119.950 -0.058 0.000 2.507 192 F HA 0.377 4.903 4.527 -0.001 0.000 0.325 192 F C 1.240 177.038 175.800 -0.004 0.000 1.116 192 F CA -0.554 57.434 58.000 -0.020 0.000 0.930 192 F CB 2.283 41.290 39.000 0.012 0.000 1.146 192 F HN 0.881 nan 8.300 nan 0.000 0.447 193 E N 0.926 121.226 120.200 0.167 0.000 2.107 193 E HA -0.054 4.296 4.350 -0.001 0.000 0.191 193 E C -0.079 176.586 176.600 0.109 0.000 0.982 193 E CA 0.935 57.400 56.400 0.108 0.000 0.809 193 E CB 0.312 30.060 29.700 0.080 0.000 0.756 193 E HN 0.561 nan 8.360 nan 0.000 0.459 194 T N 3.017 117.641 114.554 0.116 0.000 2.758 194 T HA 0.322 4.672 4.350 -0.001 0.000 0.285 194 T C -2.592 172.145 174.700 0.062 0.000 0.981 194 T CA -1.521 60.618 62.100 0.065 0.000 0.965 194 T CB 1.649 70.531 68.868 0.023 0.000 0.927 194 T HN 0.008 nan 8.240 nan 0.000 0.448 195 P HA 0.048 nan 4.420 nan 0.000 0.262 195 P C -0.040 177.241 177.300 -0.031 0.000 1.182 195 P CA -0.138 63.005 63.100 0.073 0.000 0.761 195 P CB 0.336 32.078 31.700 0.069 0.000 0.795 196 L N 2.965 124.140 121.223 -0.081 0.000 2.485 196 L HA -0.009 4.331 4.340 -0.001 0.000 0.275 196 L C 1.065 177.839 176.870 -0.160 0.000 1.207 196 L CA 0.247 54.916 54.840 -0.284 0.000 0.855 196 L CB 0.108 41.855 42.059 -0.520 0.000 1.114 196 L HN 0.349 nan 8.230 nan 0.000 0.485 197 Q N 2.116 121.790 119.800 -0.210 0.000 2.681 197 Q HA 0.283 4.623 4.340 -0.001 0.000 0.222 197 Q C -0.565 175.345 176.000 -0.149 0.000 1.258 197 Q CA 0.190 55.910 55.803 -0.139 0.000 1.014 197 Q CB 0.714 29.375 28.738 -0.128 0.000 1.384 197 Q HN 0.573 nan 8.270 nan 0.000 0.570 198 T N 1.590 116.082 114.554 -0.103 0.000 2.885 198 T HA 0.686 5.035 4.350 -0.001 0.000 0.322 198 T C -2.631 172.054 174.700 -0.025 0.000 1.387 198 T CA -1.170 60.867 62.100 -0.105 0.000 1.041 198 T CB 1.009 69.770 68.868 -0.178 0.000 1.287 198 T HN 0.342 nan 8.240 nan 0.000 0.491 202 G N 0.308 108.944 108.800 -0.274 0.000 2.601 202 G HA2 0.590 4.550 3.960 -0.001 0.000 0.291 202 G HA3 0.590 4.550 3.960 -0.001 0.000 0.291 202 G C -1.903 172.725 174.900 -0.453 0.000 1.456 202 G CA -0.206 44.563 45.100 -0.551 0.000 0.804 202 G HN 0.211 nan 8.290 nan 0.000 0.499 203 C N 0.210 119.065 119.300 -0.742 0.000 3.254 203 C HA 0.685 5.144 4.460 -0.001 0.000 0.405 203 C C -1.780 173.016 174.990 -0.323 0.000 1.027 203 C CA -1.271 57.540 59.018 -0.345 0.000 1.192 203 C CB -0.232 27.454 27.740 -0.091 0.000 1.567 203 C HN 0.652 nan 8.230 nan 0.000 0.582 204 F N 4.082 124.189 119.950 0.262 0.000 2.399 204 F HA 0.735 5.262 4.527 -0.001 0.000 0.334 204 F C 0.504 176.469 175.800 0.275 0.000 1.097 204 F CA -0.395 57.792 58.000 0.311 0.000 1.076 204 F CB 1.676 40.842 39.000 0.278 0.000 1.162 204 F HN 0.457 nan 8.300 nan 0.000 0.495 205 V N 2.417 122.585 119.914 0.423 0.000 2.709 205 V HA 0.529 4.648 4.120 -0.001 0.000 0.308 205 V C -0.794 175.492 176.094 0.320 0.000 1.062 205 V CA -0.741 61.786 62.300 0.378 0.000 0.901 205 V CB 1.891 33.905 31.823 0.318 0.000 1.003 205 V HN 0.576 nan 8.190 nan 0.000 0.425 206 Q N 1.362 121.345 119.800 0.306 0.000 2.413 206 Q HA 0.541 4.880 4.340 -0.001 0.000 0.276 206 Q C -0.324 175.765 176.000 0.149 0.000 1.099 206 Q CA -0.321 55.607 55.803 0.207 0.000 0.814 206 Q CB 1.654 30.515 28.738 0.205 0.000 1.379 206 Q HN 0.783 nan 8.270 nan 0.000 0.436 207 D N -0.829 119.647 120.400 0.126 0.000 3.076 207 D HA -0.158 4.482 4.640 -0.001 0.000 0.218 207 D C -0.550 175.843 176.300 0.154 0.000 1.156 207 D CA 1.465 55.521 54.000 0.093 0.000 0.921 207 D CB -1.147 39.641 40.800 -0.021 0.000 1.113 207 D HN 0.338 nan 8.370 nan 0.000 0.418 208 S N -1.363 114.447 115.700 0.183 0.000 2.651 208 S HA 0.621 5.090 4.470 -0.001 0.000 0.279 208 S C -2.319 172.296 174.600 0.023 0.000 1.148 208 S CA -1.106 57.170 58.200 0.125 0.000 0.837 208 S CB 2.365 65.671 63.200 0.175 0.000 1.138 208 S HN -0.288 nan 8.310 nan 0.000 0.478 209 P HA 0.212 nan 4.420 nan 0.000 0.229 209 P C -0.020 177.114 177.300 -0.277 0.000 1.160 209 P CA 0.382 63.188 63.100 -0.490 0.000 0.777 209 P CB 0.087 30.875 31.700 -1.520 0.000 0.814 210 L N -0.636 120.504 121.223 -0.138 0.000 2.479 210 L HA 0.096 4.436 4.340 -0.001 0.000 0.248 210 L C 1.250 178.203 176.870 0.138 0.000 1.205 210 L CA 0.751 55.587 54.840 -0.006 0.000 0.817 210 L CB 0.483 42.532 42.059 -0.017 0.000 1.162 210 L HN -0.077 nan 8.230 nan 0.000 0.486 211 D N -1.632 118.895 120.400 0.212 0.000 1.979 211 D HA 0.024 4.664 4.640 -0.001 0.000 0.399 211 D C -0.790 175.753 176.300 0.403 0.000 1.016 211 D CA -0.117 54.070 54.000 0.312 0.000 0.928 211 D CB 0.669 41.671 40.800 0.336 0.000 1.739 211 D HN 0.403 nan 8.370 nan 0.000 0.537 212 W N 1.756 123.139 121.300 0.140 0.000 3.137 212 W HA 0.538 5.198 4.660 -0.001 0.000 0.324 212 W C -2.315 174.184 176.519 -0.034 0.000 1.253 212 W CA -0.863 56.509 57.345 0.045 0.000 1.183 212 W CB 0.946 30.477 29.460 0.119 0.000 1.424 212 W HN -0.080 nan 8.180 nan 0.000 0.566 213 L N 1.461 121.861 121.223 -1.372 0.000 2.592 213 L HA 0.887 5.226 4.340 -0.001 0.000 0.258 213 L C -1.185 174.908 176.870 -1.294 0.000 0.926 213 L CA -0.809 53.389 54.840 -1.071 0.000 0.885 213 L CB 0.938 42.646 42.059 -0.585 0.000 1.380 213 L HN 0.551 nan 8.230 nan 0.000 0.415 214 A N 1.805 124.144 122.820 -0.803 0.000 2.401 214 A HA 0.885 5.205 4.320 -0.001 0.000 0.310 214 A C -0.680 176.513 177.584 -0.652 0.000 1.075 214 A CA -0.837 50.880 52.037 -0.534 0.000 0.746 214 A CB 1.737 20.739 19.000 0.005 0.000 1.277 214 A HN 0.827 nan 8.150 nan 0.000 0.425 215 R N 1.568 121.596 120.500 -0.788 0.000 2.248 215 R HA 0.170 4.510 4.340 -0.001 0.000 0.337 215 R C 0.506 176.501 176.300 -0.508 0.000 1.106 215 R CA 0.084 55.494 56.100 -1.149 0.000 0.959 215 R CB -0.433 29.294 30.300 -0.956 0.000 1.075 215 R HN 0.867 nan 8.270 nan 0.000 0.480 216 N N 2.213 120.652 118.700 -0.436 0.000 2.348 216 N HA -0.212 4.528 4.740 -0.001 0.000 0.185 216 N C 1.220 176.614 175.510 -0.192 0.000 1.019 216 N CA 1.465 54.361 53.050 -0.258 0.000 0.880 216 N CB 0.208 38.599 38.487 -0.161 0.000 0.965 216 N HN 0.624 nan 8.380 nan 0.000 0.437 217 R N -0.634 119.763 120.500 -0.171 0.000 2.276 217 R HA 0.095 4.435 4.340 -0.001 0.000 0.203 217 R C 1.740 178.015 176.300 -0.043 0.000 1.017 217 R CA 1.217 57.267 56.100 -0.083 0.000 1.010 217 R CB -0.283 29.992 30.300 -0.042 0.000 0.900 217 R HN 0.155 nan 8.270 nan 0.000 0.469 218 S N 0.553 116.239 115.700 -0.024 0.000 2.428 218 S HA -0.020 4.450 4.470 -0.001 0.000 0.230 218 S C 0.576 175.297 174.600 0.202 0.000 1.014 218 S CA 0.091 58.364 58.200 0.123 0.000 0.957 218 S CB -0.089 63.240 63.200 0.215 0.000 0.784 218 S HN 0.267 nan 8.310 nan 0.000 0.499 219 K N 2.565 122.941 120.400 -0.040 0.000 2.414 219 K HA 0.233 4.553 4.320 -0.001 0.000 0.272 219 K C -2.738 173.819 176.600 -0.073 0.000 0.993 219 K CA -1.709 54.402 56.287 -0.293 0.000 0.964 219 K CB -0.157 31.969 32.500 -0.622 0.000 0.925 219 K HN 0.124 nan 8.250 nan 0.000 0.487 220 P HA -0.133 nan 4.420 nan 0.000 0.264 220 P C -0.399 176.900 177.300 -0.001 0.000 1.183 220 P CA 0.605 63.720 63.100 0.024 0.000 0.763 220 P CB 0.334 32.066 31.700 0.054 0.000 0.807 221 E N 0.230 120.437 120.200 0.012 0.000 2.403 221 E HA -0.314 4.036 4.350 -0.001 0.000 0.241 221 E C -0.488 176.111 176.600 -0.003 0.000 1.201 221 E CA 0.452 56.857 56.400 0.009 0.000 0.721 221 E CB -0.495 29.214 29.700 0.016 0.000 1.245 221 E HN 0.264 nan 8.360 nan 0.000 0.392 222 R N 0.703 121.195 120.500 -0.014 0.000 2.486 222 R HA 0.279 4.618 4.340 -0.001 0.000 0.286 222 R C -0.421 175.878 176.300 -0.002 0.000 0.999 222 R CA -0.306 55.782 56.100 -0.020 0.000 0.993 222 R CB 0.917 31.186 30.300 -0.051 0.000 1.084 222 R HN 0.211 nan 8.270 nan 0.000 0.487 223 D N 0.002 120.407 120.400 0.008 0.000 2.443 223 D HA -0.113 4.526 4.640 -0.001 0.000 0.234 223 D C 0.258 176.572 176.300 0.023 0.000 1.172 223 D CA 0.680 54.693 54.000 0.021 0.000 0.878 223 D CB 0.737 41.557 40.800 0.034 0.000 1.204 223 D HN 0.415 nan 8.370 nan 0.000 0.453 224 D N 0.839 121.257 120.400 0.029 0.000 2.414 224 D HA -0.072 4.568 4.640 -0.001 0.000 0.237 224 D C 1.523 177.851 176.300 0.046 0.000 0.975 224 D CA 0.906 54.926 54.000 0.033 0.000 0.917 224 D CB -0.090 40.728 40.800 0.030 0.000 1.061 224 D HN 0.585 nan 8.370 nan 0.000 0.480 225 T N 1.734 116.316 114.554 0.048 0.000 2.464 225 T HA -0.244 4.106 4.350 -0.001 0.000 0.245 225 T C 0.947 175.688 174.700 0.068 0.000 1.298 225 T CA 0.915 63.049 62.100 0.056 0.000 1.152 225 T CB -0.517 68.386 68.868 0.058 0.000 0.854 225 T HN 0.010 nan 8.240 nan 0.000 0.428 226 L N 1.746 123.014 121.223 0.076 0.000 2.375 226 L HA 0.436 4.776 4.340 -0.001 0.000 0.271 226 L C -0.017 176.909 176.870 0.093 0.000 1.107 226 L CA -0.745 54.143 54.840 0.080 0.000 0.806 226 L CB 0.989 43.088 42.059 0.066 0.000 1.146 226 L HN 0.195 nan 8.230 nan 0.000 0.447 227 D N 1.153 121.648 120.400 0.158 0.000 2.479 227 D HA 0.233 4.872 4.640 -0.001 0.000 0.218 227 D C -0.676 175.833 176.300 0.348 0.000 1.131 227 D CA -0.201 53.947 54.000 0.247 0.000 0.916 227 D CB 0.369 41.379 40.800 0.350 0.000 1.022 227 D HN 0.544 nan 8.370 nan 0.000 0.515 228 T N 1.123 115.757 114.554 0.134 0.000 2.856 228 T HA 0.449 4.798 4.350 -0.001 0.000 0.292 228 T C -0.342 174.367 174.700 0.014 0.000 0.980 228 T CA -0.715 61.430 62.100 0.075 0.000 1.091 228 T CB 0.811 69.665 68.868 -0.024 0.000 0.936 228 T HN 0.219 nan 8.240 nan 0.000 0.503 229 W N 2.026 123.324 121.300 -0.004 0.000 2.656 229 W HA 0.585 5.245 4.660 -0.001 0.000 0.327 229 W C -0.670 175.785 176.519 -0.106 0.000 1.041 229 W CA -1.227 56.099 57.345 -0.032 0.000 1.229 229 W CB 1.111 30.613 29.460 0.070 0.000 1.397 229 W HN 0.417 nan 8.180 nan 0.000 0.479 230 I N 5.111 125.659 120.570 -0.038 0.000 2.392 230 I HA 0.436 4.605 4.170 -0.001 0.000 0.295 230 I C -0.299 175.738 176.117 -0.134 0.000 0.985 230 I CA -1.151 60.128 61.300 -0.035 0.000 1.221 230 I CB 0.887 38.860 38.000 -0.046 0.000 1.366 230 I HN 0.258 nan 8.210 nan 0.000 0.467 231 L N 6.072 127.272 121.223 -0.038 0.000 2.381 231 L HA 0.521 4.861 4.340 -0.001 0.000 0.274 231 L C -0.526 176.492 176.870 0.248 0.000 0.988 231 L CA -0.671 54.138 54.840 -0.052 0.000 0.824 231 L CB 1.726 43.712 42.059 -0.121 0.000 1.263 231 L HN 0.512 nan 8.230 nan 0.000 0.410 232 H N 1.509 120.726 119.070 0.246 0.000 2.466 232 H HA 0.652 5.208 4.556 -0.001 0.000 0.338 232 H C -0.389 175.113 175.328 0.289 0.000 1.091 232 H CA -0.842 55.413 56.048 0.344 0.000 1.207 232 H CB 2.313 32.340 29.762 0.441 0.000 1.466 232 H HN 0.795 nan 8.280 nan 0.000 0.493 233 A N 3.271 126.361 122.820 0.450 0.000 2.309 233 A HA 0.228 4.548 4.320 -0.001 0.000 0.298 233 A C 0.507 178.328 177.584 0.394 0.000 1.165 233 A CA -0.543 51.717 52.037 0.372 0.000 0.821 233 A CB 0.639 19.956 19.000 0.529 0.000 1.102 233 A HN 0.740 nan 8.150 nan 0.000 0.500 234 T N 1.494 116.247 114.554 0.332 0.000 2.882 234 T HA 0.002 4.352 4.350 -0.001 0.000 0.330 234 T C 1.713 176.619 174.700 0.342 0.000 1.075 234 T CA 1.011 63.300 62.100 0.315 0.000 1.129 234 T CB 0.165 69.208 68.868 0.291 0.000 1.071 234 T HN 0.764 nan 8.240 nan 0.000 0.531 235 S N 2.840 118.693 115.700 0.256 0.000 2.368 235 S HA -0.137 4.333 4.470 -0.001 0.000 0.224 235 S C 2.156 176.891 174.600 0.225 0.000 1.029 235 S CA 0.914 59.244 58.200 0.215 0.000 0.988 235 S CB -0.277 63.015 63.200 0.153 0.000 0.838 235 S HN 0.650 nan 8.310 nan 0.000 0.462 236 Q N 0.577 120.511 119.800 0.224 0.000 2.062 236 Q HA -0.163 4.177 4.340 -0.001 0.000 0.209 236 Q C 1.706 177.860 176.000 0.256 0.000 0.996 236 Q CA 1.838 57.766 55.803 0.209 0.000 0.859 236 Q CB -0.697 28.164 28.738 0.204 0.000 0.920 236 Q HN 0.736 nan 8.270 nan 0.000 0.415 237 W N 0.785 122.173 121.300 0.148 0.000 2.354 237 W HA -0.173 4.487 4.660 -0.000 0.000 0.315 237 W C 2.377 179.010 176.519 0.190 0.000 1.206 237 W CA 1.923 59.363 57.345 0.159 0.000 1.290 237 W CB -0.547 29.016 29.460 0.171 0.000 1.152 237 W HN 0.041 nan 8.180 nan 0.000 0.489 238 S N 0.429 116.363 115.700 0.390 0.000 2.392 238 S HA -0.296 4.174 4.470 -0.001 0.000 0.232 238 S C 1.747 176.407 174.600 0.100 0.000 1.041 238 S CA 1.805 60.189 58.200 0.307 0.000 1.026 238 S CB -0.484 62.942 63.200 0.378 0.000 0.845 238 S HN 0.330 nan 8.310 nan 0.000 0.465 239 R N 1.074 121.620 120.500 0.076 0.000 2.073 239 R HA -0.111 4.229 4.340 -0.001 0.000 0.234 239 R C 2.665 178.946 176.300 -0.030 0.000 1.134 239 R CA 1.623 57.740 56.100 0.030 0.000 0.952 239 R CB -0.326 30.006 30.300 0.054 0.000 0.850 239 R HN 0.638 nan 8.270 nan 0.000 0.433 240 Q N -0.244 119.510 119.800 -0.077 0.000 2.297 240 Q HA -0.031 4.309 4.340 -0.001 0.000 0.204 240 Q C 0.382 176.244 176.000 -0.230 0.000 0.962 240 Q CA 0.816 56.547 55.803 -0.121 0.000 0.879 240 Q CB 0.093 28.778 28.738 -0.087 0.000 0.947 240 Q HN 0.244 nan 8.270 nan 0.000 0.462 241 N N 0.254 118.714 118.700 -0.400 0.000 2.401 241 N HA 0.207 4.947 4.740 -0.001 0.000 0.264 241 N C 0.697 176.113 175.510 -0.157 0.000 1.238 241 N CA -0.019 52.733 53.050 -0.496 0.000 0.889 241 N CB 0.807 38.551 38.487 -1.239 0.000 1.196 241 N HN 0.205 nan 8.380 nan 0.000 0.511 242 L N 0.848 122.069 121.223 -0.003 0.000 2.027 242 L HA -0.143 4.197 4.340 -0.001 0.000 0.206 242 L C 1.414 178.384 176.870 0.166 0.000 1.074 242 L CA 1.449 56.377 54.840 0.146 0.000 0.745 242 L CB 0.071 42.142 42.059 0.021 0.000 0.898 242 L HN 0.149 nan 8.230 nan 0.000 0.433 243 D N -0.186 120.242 120.400 0.048 0.000 2.324 243 D HA 0.030 4.669 4.640 -0.001 0.000 0.235 243 D C 0.652 176.964 176.300 0.020 0.000 1.095 243 D CA 0.115 54.136 54.000 0.035 0.000 0.871 243 D CB -0.229 40.571 40.800 0.000 0.000 0.906 243 D HN 0.164 nan 8.370 nan 0.000 0.522 244 A N 0.697 123.515 122.820 -0.003 0.000 2.386 244 A HA 0.459 4.779 4.320 -0.001 0.000 0.246 244 A C 0.676 178.206 177.584 -0.091 0.000 1.089 244 A CA -0.292 51.661 52.037 -0.139 0.000 0.790 244 A CB 0.331 19.099 19.000 -0.387 0.000 1.042 244 A HN 0.338 nan 8.150 nan 0.000 0.497 245 S N 0.506 116.112 115.700 -0.157 0.000 2.616 245 S HA 0.380 4.849 4.470 -0.001 0.000 0.277 245 S C 0.957 175.440 174.600 -0.196 0.000 1.234 245 S CA -0.713 57.428 58.200 -0.098 0.000 1.028 245 S CB 1.221 64.378 63.200 -0.072 0.000 0.988 245 S HN 0.673 nan 8.310 nan 0.000 0.522 246 R N 1.580 122.036 120.500 -0.073 0.000 2.119 246 R HA -0.182 4.158 4.340 -0.001 0.000 0.246 246 R C 2.239 178.458 176.300 -0.136 0.000 1.146 246 R CA 2.080 58.132 56.100 -0.080 0.000 0.962 246 R CB -0.634 29.703 30.300 0.061 0.000 0.863 246 R HN 0.913 nan 8.270 nan 0.000 0.442 247 E N 1.436 121.578 120.200 -0.097 0.000 2.031 247 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 247 E C 1.951 178.469 176.600 -0.137 0.000 0.994 247 E CA 1.197 57.547 56.400 -0.084 0.000 0.800 247 E CB -0.507 29.162 29.700 -0.052 0.000 0.752 247 E HN 0.488 nan 8.360 nan 0.000 0.447 248 Q N 0.861 120.540 119.800 -0.202 0.000 2.077 248 Q HA -0.145 4.195 4.340 -0.001 0.000 0.206 248 Q C 2.605 178.321 176.000 -0.473 0.000 0.989 248 Q CA 2.100 57.703 55.803 -0.334 0.000 0.853 248 Q CB -0.312 28.201 28.738 -0.376 0.000 0.907 248 Q HN 0.187 nan 8.270 nan 0.000 0.418 249 V N 1.098 120.734 119.914 -0.463 0.000 2.295 249 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 249 V C 2.203 178.228 176.094 -0.115 0.000 1.049 249 V CA 1.700 63.770 62.300 -0.382 0.000 1.024 249 V CB -0.564 30.669 31.823 -0.983 0.000 0.648 249 V HN 0.338 nan 8.190 nan 0.000 0.447 250 I N -0.070 120.441 120.570 -0.098 0.000 2.208 250 I HA -0.290 3.880 4.170 -0.001 0.000 0.245 250 I C 2.576 178.733 176.117 0.067 0.000 1.097 250 I CA 1.974 63.284 61.300 0.017 0.000 1.363 250 I CB -0.347 37.654 38.000 0.001 0.000 1.051 250 I HN 0.425 nan 8.210 nan 0.000 0.413 251 E N 0.667 120.886 120.200 0.032 0.000 2.013 251 E HA -0.273 4.077 4.350 -0.001 0.000 0.202 251 E C 2.156 178.913 176.600 0.263 0.000 1.018 251 E CA 1.893 58.370 56.400 0.128 0.000 0.834 251 E CB -0.155 29.615 29.700 0.117 0.000 0.770 251 E HN 0.563 nan 8.360 nan 0.000 0.459 252 H N 0.215 119.335 119.070 0.084 0.000 2.265 252 H HA -0.154 4.402 4.556 -0.001 0.000 0.295 252 H C 2.399 177.708 175.328 -0.031 0.000 1.084 252 H CA 1.296 57.377 56.048 0.055 0.000 1.261 252 H CB -0.187 29.668 29.762 0.154 0.000 1.360 252 H HN 0.223 nan 8.280 nan 0.000 0.487 253 L N 0.294 121.560 121.223 0.072 0.000 2.265 253 L HA -0.201 4.139 4.340 -0.001 0.000 0.215 253 L C 2.571 179.503 176.870 0.103 0.000 1.117 253 L CA 1.057 55.885 54.840 -0.020 0.000 0.782 253 L CB -0.659 41.394 42.059 -0.011 0.000 0.914 253 L HN 0.529 nan 8.230 nan 0.000 0.441 254 H N 0.398 119.518 119.070 0.085 0.000 2.403 254 H HA -0.062 4.494 4.556 -0.001 0.000 0.298 254 H C 1.990 177.367 175.328 0.082 0.000 1.059 254 H CA 1.322 57.449 56.048 0.132 0.000 1.363 254 H CB 0.335 30.160 29.762 0.105 0.000 1.410 254 H HN 0.261 nan 8.280 nan 0.000 0.528 255 G N 0.556 109.412 108.800 0.092 0.000 2.453 255 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.215 255 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.215 255 G C 1.953 176.797 174.900 -0.093 0.000 1.201 255 G CA 1.270 46.364 45.100 -0.009 0.000 0.784 255 G HN 0.518 nan 8.290 nan 0.000 0.545 256 A N 0.150 122.928 122.820 -0.071 0.000 1.940 256 A HA -0.001 4.319 4.320 -0.001 0.000 0.219 256 A C 2.175 179.694 177.584 -0.108 0.000 1.176 256 A CA 1.737 53.709 52.037 -0.107 0.000 0.631 256 A CB -0.537 18.386 19.000 -0.128 0.000 0.814 256 A HN 0.423 nan 8.150 nan 0.000 0.446 257 F N 0.733 120.522 119.950 -0.268 0.000 2.325 257 F HA 0.132 4.658 4.527 -0.001 0.000 0.299 257 F C 2.294 177.858 175.800 -0.394 0.000 1.090 257 F CA 0.547 58.355 58.000 -0.320 0.000 1.392 257 F CB -0.526 38.319 39.000 -0.258 0.000 1.053 257 F HN 0.233 nan 8.300 nan 0.000 0.521 258 A N -0.414 122.129 122.820 -0.462 0.000 1.975 258 A HA -0.081 4.239 4.320 -0.001 0.000 0.215 258 A C 1.973 179.318 177.584 -0.398 0.000 1.170 258 A CA 0.866 52.564 52.037 -0.565 0.000 0.656 258 A CB -0.785 17.927 19.000 -0.479 0.000 0.821 258 A HN 0.420 nan 8.150 nan 0.000 0.449 259 E N -0.209 119.814 120.200 -0.296 0.000 2.382 259 E HA 0.075 4.425 4.350 -0.001 0.000 0.190 259 E C 0.808 177.220 176.600 -0.313 0.000 1.125 259 E CA 0.604 56.864 56.400 -0.233 0.000 0.929 259 E CB -0.119 29.488 29.700 -0.155 0.000 1.053 259 E HN 0.609 nan 8.360 nan 0.000 0.475 260 L N -2.289 118.688 121.223 -0.410 0.000 3.679 260 L HA 0.277 4.616 4.340 -0.001 0.000 0.342 260 L C -0.555 176.086 176.870 -0.382 0.000 1.170 260 L CA -0.292 54.225 54.840 -0.538 0.000 1.221 260 L CB 0.275 41.779 42.059 -0.925 0.000 1.654 260 L HN -0.118 nan 8.230 nan 0.000 0.628 261 I N -0.558 119.766 120.570 -0.409 0.000 2.392 261 I HA 0.497 4.667 4.170 -0.001 0.000 0.295 261 I C -0.445 175.491 176.117 -0.303 0.000 0.985 261 I CA -0.665 60.404 61.300 -0.386 0.000 1.221 261 I CB 0.540 38.189 38.000 -0.585 0.000 1.366 261 I HN -0.002 nan 8.210 nan 0.000 0.467 262 D N 6.426 126.695 120.400 -0.218 0.000 2.713 262 D HA 0.291 4.931 4.640 -0.001 0.000 0.229 262 D C -0.140 176.050 176.300 -0.184 0.000 1.136 262 D CA 0.183 54.086 54.000 -0.162 0.000 1.010 262 D CB 0.357 41.101 40.800 -0.095 0.000 1.084 262 D HN 0.829 nan 8.370 nan 0.000 0.495 263 C N -1.960 117.196 119.300 -0.240 0.000 3.266 263 C HA 0.656 5.115 4.460 -0.001 0.000 0.369 263 C C 0.213 175.042 174.990 -0.269 0.000 1.580 263 C CA -0.785 58.087 59.018 -0.243 0.000 1.165 263 C CB 1.496 29.066 27.740 -0.283 0.000 1.835 263 C HN 0.254 nan 8.230 nan 0.000 0.433 267 A N 1.586 124.499 122.820 0.154 0.000 2.445 267 A HA 0.602 4.922 4.320 -0.001 0.000 0.242 267 A C -2.162 175.518 177.584 0.161 0.000 1.075 267 A CA -0.728 51.402 52.037 0.154 0.000 0.777 267 A CB -0.908 18.120 19.000 0.046 0.000 1.013 267 A HN 0.404 nan 8.150 nan 0.000 0.493 268 P HA 0.218 nan 4.420 nan 0.000 0.271 268 P C 0.873 178.085 177.300 -0.145 0.000 1.218 268 P CA -0.452 62.501 63.100 -0.245 0.000 0.780 268 P CB 0.625 32.045 31.700 -0.467 0.000 0.901 269 V N 1.457 121.270 119.914 -0.168 0.000 2.358 269 V HA -0.077 4.043 4.120 -0.001 0.000 0.246 269 V C 0.887 177.014 176.094 0.055 0.000 1.047 269 V CA 1.823 64.103 62.300 -0.033 0.000 1.035 269 V CB -1.069 30.755 31.823 0.001 0.000 0.658 269 V HN 0.654 nan 8.190 nan 0.000 0.452 270 F N -1.158 118.736 119.950 -0.093 0.000 2.645 270 F HA 0.770 5.297 4.527 -0.001 0.000 0.310 270 F C -0.705 175.038 175.800 -0.094 0.000 1.102 270 F CA -1.166 56.789 58.000 -0.074 0.000 0.952 270 F CB 1.466 40.440 39.000 -0.043 0.000 1.326 270 F HN -0.144 nan 8.300 nan 0.000 0.456 271 S N 2.545 118.423 115.700 0.298 0.000 2.548 271 S HA 0.874 5.343 4.470 -0.001 0.000 0.276 271 S C -1.680 173.058 174.600 0.230 0.000 1.129 271 S CA -0.759 57.541 58.200 0.166 0.000 0.931 271 S CB 1.536 64.740 63.200 0.007 0.000 1.068 271 S HN 0.905 nan 8.310 nan 0.000 0.480 272 L N 1.813 123.176 121.223 0.233 0.000 2.341 272 L HA 0.969 5.309 4.340 -0.001 0.000 0.267 272 L C -0.218 176.781 176.870 0.216 0.000 1.009 272 L CA -1.061 53.902 54.840 0.206 0.000 0.819 272 L CB 2.168 44.360 42.059 0.222 0.000 1.323 272 L HN 0.978 nan 8.230 nan 0.000 0.425 273 A N 0.839 123.799 122.820 0.233 0.000 2.398 273 A HA 0.647 4.967 4.320 -0.001 0.000 0.301 273 A C -1.632 176.173 177.584 0.369 0.000 1.041 273 A CA -0.410 51.843 52.037 0.360 0.000 0.711 273 A CB 1.242 20.447 19.000 0.341 0.000 1.240 273 A HN 0.793 nan 8.150 nan 0.000 0.420 274 H N 2.308 121.507 119.070 0.215 0.000 2.667 274 H HA 0.453 5.009 4.556 -0.001 0.000 0.353 274 H C -0.954 174.045 175.328 -0.548 0.000 1.072 274 H CA -0.532 55.390 56.048 -0.210 0.000 1.214 274 H CB 1.388 30.895 29.762 -0.424 0.000 1.600 274 H HN 0.796 nan 8.280 nan 0.000 0.527 275 R N 5.340 124.966 120.500 -1.456 0.000 2.233 275 R HA 0.113 4.452 4.340 -0.001 0.000 0.334 275 R C -1.226 174.445 176.300 -1.048 0.000 1.037 275 R CA -0.699 54.458 56.100 -1.572 0.000 0.920 275 R CB 0.188 29.425 30.300 -1.771 0.000 1.137 275 R HN 0.425 nan 8.270 nan 0.000 0.492 276 W N 6.205 127.199 121.300 -0.510 0.000 2.507 276 W HA 0.167 4.827 4.660 -0.001 0.000 0.334 276 W C 1.119 177.424 176.519 -0.357 0.000 1.165 276 W CA -0.580 56.619 57.345 -0.245 0.000 1.460 276 W CB 0.546 29.973 29.460 -0.056 0.000 1.404 276 W HN 0.524 nan 8.180 nan 0.000 0.435 277 L N 2.391 123.435 121.223 -0.298 0.000 2.017 277 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 277 L C 0.300 176.885 176.870 -0.474 0.000 1.073 277 L CA 1.362 55.872 54.840 -0.550 0.000 0.745 277 L CB -0.079 41.386 42.059 -0.990 0.000 0.894 277 L HN 0.377 nan 8.230 nan 0.000 0.432 278 Y N -1.376 118.964 120.300 0.066 0.000 2.902 278 Y HA 0.369 4.919 4.550 -0.001 0.000 0.353 278 Y C 0.909 176.849 175.900 0.066 0.000 1.116 278 Y CA -0.566 57.561 58.100 0.045 0.000 1.222 278 Y CB 0.052 38.523 38.460 0.018 0.000 1.302 278 Y HN -0.042 nan 8.280 nan 0.000 0.590 279 A N 1.685 124.582 122.820 0.129 0.000 1.874 279 A HA 0.197 4.517 4.320 -0.001 0.000 0.214 279 A C 1.004 178.578 177.584 -0.017 0.000 1.189 279 A CA 0.917 52.955 52.037 0.001 0.000 0.615 279 A CB 0.201 19.172 19.000 -0.048 0.000 0.830 279 A HN 0.532 nan 8.150 nan 0.000 0.443 280 R N -1.055 119.472 120.500 0.045 0.000 2.643 280 R HA 0.350 4.690 4.340 -0.001 0.000 0.269 280 R C -3.134 173.226 176.300 0.101 0.000 1.037 280 R CA -1.958 54.176 56.100 0.056 0.000 0.894 280 R CB 2.085 32.398 30.300 0.021 0.000 1.238 280 R HN 0.094 nan 8.270 nan 0.000 0.459 281 P HA -0.013 nan 4.420 nan 0.000 0.268 281 P C -0.033 177.345 177.300 0.130 0.000 1.204 281 P CA 0.208 63.413 63.100 0.174 0.000 0.768 281 P CB 1.200 33.064 31.700 0.273 0.000 0.842 282 A N 3.629 126.520 122.820 0.119 0.000 1.972 282 A HA 0.130 4.449 4.320 -0.001 0.000 0.219 282 A C 1.236 178.850 177.584 0.049 0.000 1.169 282 A CA 1.698 53.783 52.037 0.081 0.000 0.635 282 A CB -0.878 18.166 19.000 0.073 0.000 0.810 282 A HN 0.682 nan 8.150 nan 0.000 0.446 283 G N -2.771 106.054 108.800 0.042 0.000 2.658 283 G HA2 0.594 4.553 3.960 -0.001 0.000 0.292 283 G HA3 0.594 4.553 3.960 -0.001 0.000 0.292 283 G C -0.497 174.331 174.900 -0.120 0.000 1.320 283 G CA -0.097 44.957 45.100 -0.076 0.000 0.933 283 G HN 0.687 nan 8.290 nan 0.000 0.476 284 A N -0.185 122.522 122.820 -0.188 0.000 2.322 284 A HA 0.748 5.067 4.320 -0.001 0.000 0.269 284 A C -0.396 176.938 177.584 -0.417 0.000 1.094 284 A CA -0.155 51.788 52.037 -0.156 0.000 0.807 284 A CB 0.427 19.362 19.000 -0.108 0.000 1.047 284 A HN 0.799 nan 8.150 nan 0.000 0.487 285 H N -0.842 118.117 119.070 -0.186 0.000 2.907 285 H HA 0.546 5.102 4.556 -0.001 0.000 0.361 285 H C -0.223 174.933 175.328 -0.287 0.000 1.194 285 H CA -0.417 55.413 56.048 -0.364 0.000 1.152 285 H CB 1.655 31.105 29.762 -0.520 0.000 1.867 285 H HN 0.628 nan 8.280 nan 0.000 0.561 286 E N 0.306 120.361 120.200 -0.242 0.000 2.490 286 E HA 0.065 4.414 4.350 -0.001 0.000 0.209 286 E C 0.888 177.506 176.600 0.030 0.000 0.971 286 E CA -0.021 56.318 56.400 -0.102 0.000 0.988 286 E CB 0.219 29.864 29.700 -0.091 0.000 1.029 286 E HN 0.532 nan 8.360 nan 0.000 0.496 287 W N 0.799 122.121 121.300 0.038 0.000 2.290 287 W HA -0.190 4.470 4.660 -0.000 0.000 0.311 287 W C 1.883 178.363 176.519 -0.064 0.000 1.238 287 W CA 1.899 59.234 57.345 -0.016 0.000 1.255 287 W CB -1.213 28.227 29.460 -0.033 0.000 1.145 287 W HN 0.373 nan 8.180 nan 0.000 0.506 288 G N -0.098 108.783 108.800 0.134 0.000 2.458 288 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.237 288 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.237 288 G C 0.342 175.206 174.900 -0.060 0.000 1.113 288 G CA 0.931 46.037 45.100 0.009 0.000 0.655 288 G HN 1.142 nan 8.290 nan 0.000 0.513 289 A N -1.642 121.159 122.820 -0.031 0.000 2.550 289 A HA 0.678 4.997 4.320 -0.001 0.000 0.295 289 A C -1.843 175.667 177.584 -0.124 0.000 1.001 289 A CA -0.165 51.799 52.037 -0.122 0.000 0.660 289 A CB 0.661 19.599 19.000 -0.102 0.000 1.308 289 A HN 1.314 nan 8.150 nan 0.000 0.426 290 L N 1.273 122.383 121.223 -0.187 0.000 2.333 290 L HA 0.960 5.299 4.340 -0.001 0.000 0.269 290 L C 0.485 177.234 176.870 -0.202 0.000 1.010 290 L CA 0.243 54.933 54.840 -0.250 0.000 0.818 290 L CB 1.749 43.621 42.059 -0.313 0.000 1.306 290 L HN 1.585 nan 8.230 nan 0.000 0.430 291 S N 0.197 115.750 115.700 -0.245 0.000 2.611 291 S HA 0.500 4.970 4.470 -0.001 0.000 0.270 291 S C -1.564 172.825 174.600 -0.351 0.000 1.131 291 S CA -0.926 57.061 58.200 -0.355 0.000 0.826 291 S CB 1.696 64.618 63.200 -0.462 0.000 1.095 291 S HN 0.481 nan 8.310 nan 0.000 0.461 292 D N 0.262 120.390 120.400 -0.453 0.000 2.468 292 D HA 0.666 5.306 4.640 -0.001 0.000 0.272 292 D C 0.977 177.013 176.300 -0.440 0.000 1.221 292 D CA 0.063 53.871 54.000 -0.320 0.000 0.860 292 D CB 0.849 41.536 40.800 -0.189 0.000 1.190 292 D HN 0.781 nan 8.370 nan 0.000 0.509 293 A N 2.446 124.958 122.820 -0.515 0.000 1.986 293 A HA -0.231 4.089 4.320 -0.001 0.000 0.220 293 A C 1.618 178.824 177.584 -0.631 0.000 1.171 293 A CA 1.984 53.647 52.037 -0.624 0.000 0.640 293 A CB -0.276 18.463 19.000 -0.435 0.000 0.811 293 A HN 0.578 nan 8.150 nan 0.000 0.451 294 D N -0.381 119.829 120.400 -0.316 0.000 2.183 294 D HA -0.082 4.557 4.640 -0.001 0.000 0.203 294 D C 1.556 177.875 176.300 0.032 0.000 0.969 294 D CA 0.728 54.684 54.000 -0.073 0.000 0.842 294 D CB -0.581 40.242 40.800 0.038 0.000 0.957 294 D HN 0.353 nan 8.370 nan 0.000 0.484 295 L N 0.174 121.411 121.223 0.024 0.000 2.240 295 L HA 0.260 4.599 4.340 -0.001 0.000 0.211 295 L C 1.504 178.613 176.870 0.399 0.000 1.106 295 L CA 1.465 56.425 54.840 0.199 0.000 0.793 295 L CB -0.477 41.694 42.059 0.187 0.000 0.927 295 L HN 0.358 nan 8.230 nan 0.000 0.446 296 G N -0.064 108.823 108.800 0.146 0.000 2.165 296 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.226 296 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.226 296 G C 0.057 174.956 174.900 -0.002 0.000 1.035 296 G CA 0.207 45.495 45.100 0.314 0.000 0.744 296 G HN 0.157 nan 8.290 nan 0.000 0.501 297 I N 0.513 120.884 120.570 -0.331 0.000 2.436 297 I HA 0.695 4.865 4.170 -0.001 0.000 0.289 297 I C -0.822 174.961 176.117 -0.557 0.000 1.010 297 I CA -1.578 59.460 61.300 -0.436 0.000 1.098 297 I CB 1.392 39.141 38.000 -0.418 0.000 1.266 297 I HN 0.089 nan 8.210 nan 0.000 0.434 298 Y N 5.303 125.457 120.300 -0.243 0.000 2.536 298 Y HA 0.680 5.230 4.550 -0.001 0.000 0.347 298 Y C -0.125 175.671 175.900 -0.173 0.000 1.000 298 Y CA -0.960 57.022 58.100 -0.198 0.000 1.051 298 Y CB 2.053 40.390 38.460 -0.204 0.000 1.259 298 Y HN 0.169 nan 8.280 nan 0.000 0.468 299 V N 2.033 121.931 119.914 -0.027 0.000 2.638 299 V HA 0.701 4.821 4.120 -0.001 0.000 0.306 299 V C -0.523 175.503 176.094 -0.114 0.000 1.052 299 V CA -0.959 61.322 62.300 -0.031 0.000 0.885 299 V CB 1.419 33.255 31.823 0.022 0.000 0.999 299 V HN 1.048 nan 8.190 nan 0.000 0.424 300 C N 1.506 120.720 119.300 -0.143 0.000 3.291 300 C HA 1.107 5.567 4.460 -0.001 0.000 0.316 300 C C 0.106 174.855 174.990 -0.402 0.000 1.391 300 C CA -0.140 58.689 59.018 -0.315 0.000 1.394 300 C CB 1.275 28.877 27.740 -0.229 0.000 1.744 300 C HN 1.850 nan 8.230 nan 0.000 0.461 301 G N 0.647 109.097 108.800 -0.585 0.000 2.339 301 G HA2 0.387 4.347 3.960 -0.001 0.000 0.302 301 G HA3 0.387 4.347 3.960 -0.001 0.000 0.302 301 G C -0.180 174.368 174.900 -0.587 0.000 1.425 301 G CA 0.376 45.146 45.100 -0.550 0.000 0.899 301 G HN 1.175 nan 8.290 nan 0.000 0.619 302 D N -0.464 119.777 120.400 -0.265 0.000 2.182 302 D HA -0.133 4.507 4.640 -0.001 0.000 0.201 302 D C 1.870 178.096 176.300 -0.123 0.000 0.986 302 D CA 1.954 55.866 54.000 -0.147 0.000 0.847 302 D CB -0.327 40.453 40.800 -0.032 0.000 0.942 302 D HN 0.719 nan 8.370 nan 0.000 0.467 303 W N 0.202 121.494 121.300 -0.013 0.000 3.204 303 W HA 0.187 4.846 4.660 -0.001 0.000 0.249 303 W C 0.464 176.955 176.519 -0.046 0.000 1.322 303 W CA -0.520 56.815 57.345 -0.017 0.000 1.593 303 W CB -1.357 28.078 29.460 -0.041 0.000 1.122 303 W HN -0.028 nan 8.180 nan 0.000 0.710 304 C N 0.700 119.669 119.300 -0.551 0.000 2.696 304 C HA 0.307 4.766 4.460 -0.001 0.000 0.264 304 C C 1.730 176.674 174.990 -0.077 0.000 1.288 304 C CA 0.290 59.117 59.018 -0.319 0.000 1.717 304 C CB -1.013 26.437 27.740 -0.484 0.000 1.893 304 C HN 0.305 nan 8.230 nan 0.000 0.577 305 L N -0.994 120.182 121.223 -0.078 0.000 3.080 305 L HA 0.240 4.580 4.340 -0.001 0.000 0.223 305 L C 2.004 178.876 176.870 0.004 0.000 1.949 305 L CA 0.426 55.246 54.840 -0.032 0.000 2.355 305 L CB -0.410 41.609 42.059 -0.066 0.000 2.276 305 L HN 0.022 nan 8.230 nan 0.000 0.601 306 S N -0.037 115.649 115.700 -0.023 0.000 2.368 306 S HA 0.019 4.489 4.470 -0.001 0.000 0.224 306 S C 1.296 175.900 174.600 0.005 0.000 1.029 306 S CA 0.970 59.161 58.200 -0.016 0.000 0.988 306 S CB -0.197 62.983 63.200 -0.035 0.000 0.838 306 S HN 1.061 nan 8.310 nan 0.000 0.462 307 G N 0.879 109.678 108.800 -0.002 0.000 2.138 307 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.193 307 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.193 307 G C 0.012 174.895 174.900 -0.029 0.000 0.998 307 G CA -0.180 44.932 45.100 0.021 0.000 0.668 307 G HN 0.637 nan 8.290 nan 0.000 0.516 308 R N -1.022 119.440 120.500 -0.065 0.000 2.923 308 R HA 0.734 5.073 4.340 -0.001 0.000 0.252 308 R C 1.621 177.836 176.300 -0.141 0.000 1.130 308 R CA -0.399 55.644 56.100 -0.094 0.000 1.043 308 R CB 0.910 31.160 30.300 -0.083 0.000 1.205 308 R HN 0.004 nan 8.270 nan 0.000 0.495 309 V N 1.146 120.961 119.914 -0.165 0.000 2.252 309 V HA -0.303 3.817 4.120 -0.001 0.000 0.249 309 V C 2.275 178.125 176.094 -0.407 0.000 1.056 309 V CA 2.370 64.519 62.300 -0.252 0.000 1.022 309 V CB -0.554 31.069 31.823 -0.334 0.000 0.641 309 V HN 0.830 nan 8.190 nan 0.000 0.445 310 E N 0.110 119.932 120.200 -0.630 0.000 2.065 310 E HA -0.261 4.089 4.350 -0.001 0.000 0.201 310 E C 2.251 178.580 176.600 -0.450 0.000 1.016 310 E CA 1.789 57.565 56.400 -1.040 0.000 0.818 310 E CB -0.599 28.637 29.700 -0.774 0.000 0.749 310 E HN 0.592 nan 8.360 nan 0.000 0.453 311 G N 0.348 108.997 108.800 -0.250 0.000 2.442 311 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.219 311 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.219 311 G C 1.633 176.446 174.900 -0.144 0.000 1.141 311 G CA 1.054 46.065 45.100 -0.148 0.000 0.763 311 G HN 0.450 nan 8.290 nan 0.000 0.554 312 A N 0.029 122.761 122.820 -0.147 0.000 1.877 312 A HA -0.077 4.243 4.320 -0.001 0.000 0.216 312 A C 2.173 179.706 177.584 -0.086 0.000 1.186 312 A CA 1.606 53.567 52.037 -0.126 0.000 0.620 312 A CB -0.797 18.147 19.000 -0.094 0.000 0.822 312 A HN 0.562 nan 8.150 nan 0.000 0.443 313 W N 0.583 121.751 121.300 -0.219 0.000 2.363 313 W HA -0.109 4.551 4.660 -0.000 0.000 0.296 313 W C 1.746 178.207 176.519 -0.096 0.000 1.212 313 W CA 1.760 59.039 57.345 -0.110 0.000 1.260 313 W CB -0.153 29.285 29.460 -0.036 0.000 1.131 313 W HN 0.264 nan 8.180 nan 0.000 0.530 314 L N -0.442 120.795 121.223 0.023 0.000 1.988 314 L HA -0.235 4.105 4.340 -0.001 0.000 0.207 314 L C 2.797 179.534 176.870 -0.223 0.000 1.071 314 L CA 1.670 56.463 54.840 -0.077 0.000 0.744 314 L CB -1.538 40.532 42.059 0.019 0.000 0.893 314 L HN -0.075 nan 8.230 nan 0.000 0.433 315 S N 0.101 115.682 115.700 -0.199 0.000 2.392 315 S HA -0.203 4.267 4.470 -0.001 0.000 0.232 315 S C 1.986 176.427 174.600 -0.265 0.000 1.041 315 S CA 1.612 59.674 58.200 -0.231 0.000 1.026 315 S CB -0.586 62.443 63.200 -0.284 0.000 0.845 315 S HN 0.555 nan 8.310 nan 0.000 0.465 316 G N 0.837 109.452 108.800 -0.309 0.000 2.433 316 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.216 316 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.216 316 G C 1.481 176.142 174.900 -0.399 0.000 1.186 316 G CA 0.866 45.761 45.100 -0.342 0.000 0.779 316 G HN 0.496 nan 8.290 nan 0.000 0.543 317 Q N 0.141 119.610 119.800 -0.552 0.000 2.084 317 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 317 Q C 2.411 178.225 176.000 -0.309 0.000 0.978 317 Q CA 1.644 57.145 55.803 -0.502 0.000 0.844 317 Q CB -0.357 27.990 28.738 -0.652 0.000 0.898 317 Q HN 0.619 nan 8.270 nan 0.000 0.426 318 E N 0.812 120.860 120.200 -0.252 0.000 2.077 318 E HA -0.110 4.239 4.350 -0.001 0.000 0.193 318 E C 1.801 178.306 176.600 -0.158 0.000 0.989 318 E CA 1.434 57.734 56.400 -0.167 0.000 0.800 318 E CB -0.288 29.337 29.700 -0.124 0.000 0.746 318 E HN 0.273 nan 8.360 nan 0.000 0.452 319 A N 0.749 123.459 122.820 -0.183 0.000 1.902 319 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 319 A C 2.437 179.831 177.584 -0.317 0.000 1.181 319 A CA 2.112 54.045 52.037 -0.173 0.000 0.623 319 A CB -0.993 17.906 19.000 -0.168 0.000 0.818 319 A HN 0.403 nan 8.150 nan 0.000 0.443 320 A N -0.636 121.996 122.820 -0.313 0.000 1.968 320 A HA -0.089 4.231 4.320 -0.001 0.000 0.217 320 A C 2.217 179.621 177.584 -0.299 0.000 1.169 320 A CA 1.454 53.283 52.037 -0.347 0.000 0.638 320 A CB -0.458 18.370 19.000 -0.288 0.000 0.812 320 A HN 0.541 nan 8.150 nan 0.000 0.446 321 R N -0.218 120.149 120.500 -0.221 0.000 2.081 321 R HA -0.133 4.207 4.340 -0.001 0.000 0.235 321 R C 2.349 178.567 176.300 -0.136 0.000 1.131 321 R CA 1.666 57.673 56.100 -0.155 0.000 0.960 321 R CB -0.210 30.023 30.300 -0.111 0.000 0.856 321 R HN 0.539 nan 8.270 nan 0.000 0.436 322 R N 0.258 120.682 120.500 -0.126 0.000 2.075 322 R HA -0.096 4.244 4.340 -0.001 0.000 0.232 322 R C 2.469 178.722 176.300 -0.078 0.000 1.126 322 R CA 1.272 57.360 56.100 -0.020 0.000 0.963 322 R CB -0.470 29.914 30.300 0.139 0.000 0.858 322 R HN 0.283 nan 8.270 nan 0.000 0.435 323 L N 1.086 122.006 121.223 -0.504 0.000 2.046 323 L HA -0.153 4.187 4.340 -0.001 0.000 0.208 323 L C 2.029 178.687 176.870 -0.353 0.000 1.077 323 L CA 1.331 55.745 54.840 -0.710 0.000 0.747 323 L CB -0.092 41.252 42.059 -1.191 0.000 0.896 323 L HN 0.194 nan 8.230 nan 0.000 0.432 324 L N -0.183 120.851 121.223 -0.315 0.000 2.141 324 L HA -0.217 4.123 4.340 -0.001 0.000 0.209 324 L C 2.567 179.388 176.870 -0.081 0.000 1.094 324 L CA 1.599 56.311 54.840 -0.213 0.000 0.763 324 L CB -0.509 41.439 42.059 -0.185 0.000 0.908 324 L HN 0.421 nan 8.230 nan 0.000 0.437 325 E N -0.289 119.884 120.200 -0.046 0.000 2.072 325 E HA -0.292 4.058 4.350 -0.001 0.000 0.190 325 E C 2.109 178.731 176.600 0.037 0.000 0.982 325 E CA 1.103 57.504 56.400 0.002 0.000 0.803 325 E CB -0.084 29.626 29.700 0.016 0.000 0.755 325 E HN 0.489 nan 8.360 nan 0.000 0.453 326 H N 0.331 119.395 119.070 -0.010 0.000 2.489 326 H HA 0.030 4.585 4.556 -0.001 0.000 0.293 326 H C 0.867 176.216 175.328 0.036 0.000 1.066 326 H CA 0.911 56.980 56.048 0.035 0.000 1.305 326 H CB -0.010 29.807 29.762 0.091 0.000 1.386 326 H HN 0.143 nan 8.280 nan 0.000 0.551 327 L N 1.238 122.480 121.223 0.031 0.000 2.803 327 L HA 0.006 4.346 4.340 -0.001 0.000 0.241 327 L C 0.481 177.349 176.870 -0.004 0.000 1.404 327 L CA 0.406 55.265 54.840 0.032 0.000 1.211 327 L CB -0.121 41.976 42.059 0.063 0.000 1.585 327 L HN 0.326 nan 8.230 nan 0.000 0.430 328 Q N -0.004 119.750 119.800 -0.076 0.000 2.149 328 Q HA 0.307 4.647 4.340 -0.001 0.000 0.221 328 Q C -0.334 175.608 176.000 -0.097 0.000 0.807 328 Q CA -0.267 55.497 55.803 -0.066 0.000 1.000 328 Q CB 0.598 29.294 28.738 -0.070 0.000 1.157 328 Q HN 0.280 nan 8.270 nan 0.000 0.487 329 L N 0.000 121.147 121.223 -0.126 0.000 2.949 329 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 329 L CA 0.000 54.775 54.840 -0.109 0.000 0.813 329 L CB 0.000 42.038 42.059 -0.034 0.000 0.961 329 L HN 0.000 nan 8.230 nan 0.000 0.502