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 2hrg_1_A DATA FIRST_RESID 1 DATA SEQUENCE AIGPVADLTI SNGAVSPDGF SRQAILVNDV FPSPLITGNK GDRFQLNVID DATA SEQUENCE NMTNHTMLKS TSIHWHGFFQ HGTNWADGPA FVNQcPISTG HAFLYDFQVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPIVVYDPQ DPHKSLYDVD DDSTVITLAD DATA SEQUENCE WYHLAAKVGS PVPTADATLI NGLGRSIDTL NADLAVITVT KGKRYRFRLV DATA SEQUENCE SLScDPNHVF SIDGHSLTVI EADSVNLKPQ TVDSIQIFAA QRYSFVLNAD DATA SEQUENCE QDVGNYWIRA LPNSGTRNFD GGVNSAILRY DGAAPVEPTT SQTPSTNPLV DATA SEQUENCE ESALTTLEGT AAPGSPAPGG VDLALNMAFG FAGGKFTING ASFTPPTVPV DATA SEQUENCE LLQILSGAQS AQDLLPSGSV YSLPANADIE ISLPATAAAP GFPHPFHLHG DATA SEQUENCE HTFAVVRSAG SSTYNYENPV YRDVVSTGSP GDNVTIRFRT DNPGPWFLHC DATA SEQUENCE HIDFHLEAGF AVVMAEDIPE VAATNPVPQA WSDLcPTYDA LSPDDQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.625 177.584 0.069 0.000 1.274 1 A CA 0.000 52.090 52.037 0.088 0.000 0.836 1 A CB 0.000 19.078 19.000 0.130 0.000 0.831 2 I N -1.594 119.022 120.570 0.076 0.000 2.947 2 I HA 0.936 5.121 4.170 0.026 0.000 0.314 2 I C 0.536 176.678 176.117 0.042 0.000 1.028 2 I CA -0.269 61.059 61.300 0.047 0.000 1.077 2 I CB 1.762 39.789 38.000 0.046 0.000 1.274 2 I HN 2.360 nan 8.210 nan 0.000 0.485 3 G N 3.200 111.995 108.800 -0.009 0.000 2.603 3 G HA2 -0.075 3.901 3.960 0.026 0.000 0.686 3 G HA3 -0.075 3.901 3.960 0.026 0.000 0.686 3 G C -2.418 172.398 174.900 -0.140 0.000 1.286 3 G CA -0.241 44.822 45.100 -0.061 0.000 0.871 3 G HN 0.654 nan 8.290 nan 0.000 0.568 4 P HA 0.183 nan 4.420 nan 0.000 0.241 4 P C 0.454 177.507 177.300 -0.411 0.000 1.191 4 P CA 0.664 63.388 63.100 -0.626 0.000 0.771 4 P CB 0.300 31.241 31.700 -1.265 0.000 0.929 5 V N 0.728 120.483 119.914 -0.266 0.000 2.357 5 V HA 0.712 4.848 4.120 0.026 0.000 0.284 5 V C 0.126 176.151 176.094 -0.114 0.000 1.018 5 V CA -0.565 61.620 62.300 -0.191 0.000 0.841 5 V CB 0.930 32.651 31.823 -0.169 0.000 0.991 5 V HN 0.221 nan 8.190 nan 0.000 0.437 6 A N 3.727 126.494 122.820 -0.087 0.000 2.605 6 A HA 0.678 5.014 4.320 0.026 0.000 0.294 6 A C -1.549 176.030 177.584 -0.008 0.000 1.062 6 A CA -0.764 51.250 52.037 -0.038 0.000 0.682 6 A CB 1.418 20.404 19.000 -0.024 0.000 1.278 6 A HN 0.607 nan 8.150 nan 0.000 0.410 7 D N 1.085 121.496 120.400 0.019 0.000 2.304 7 D HA 0.505 5.161 4.640 0.026 0.000 0.250 7 D C -0.618 175.727 176.300 0.075 0.000 1.107 7 D CA 0.433 54.465 54.000 0.052 0.000 0.885 7 D CB 1.279 42.111 40.800 0.054 0.000 1.192 7 D HN 0.392 nan 8.370 nan 0.000 0.436 8 L N 2.292 123.582 121.223 0.112 0.000 2.366 8 L HA 0.240 4.596 4.340 0.026 0.000 0.266 8 L C 0.014 176.981 176.870 0.162 0.000 1.010 8 L CA -0.522 54.400 54.840 0.138 0.000 0.879 8 L CB 1.334 43.487 42.059 0.156 0.000 1.228 8 L HN 0.106 nan 8.230 nan 0.000 0.439 9 T N 4.151 118.792 114.554 0.144 0.000 2.743 9 T HA 0.458 4.823 4.350 0.026 0.000 0.293 9 T C 0.165 174.962 174.700 0.162 0.000 0.945 9 T CA -0.274 61.913 62.100 0.144 0.000 1.030 9 T CB 0.936 69.874 68.868 0.116 0.000 0.912 9 T HN 0.154 nan 8.240 nan 0.000 0.483 10 I N 4.064 124.738 120.570 0.172 0.000 2.336 10 I HA 0.518 4.703 4.170 0.026 0.000 0.292 10 I C 0.675 176.889 176.117 0.162 0.000 0.991 10 I CA -0.572 60.838 61.300 0.183 0.000 1.227 10 I CB 0.759 38.878 38.000 0.199 0.000 1.366 10 I HN 0.740 nan 8.210 nan 0.000 0.466 11 S N 5.096 120.893 115.700 0.160 0.000 2.671 11 S HA 0.619 5.104 4.470 0.026 0.000 0.277 11 S C -0.897 173.790 174.600 0.144 0.000 1.165 11 S CA -1.057 57.227 58.200 0.140 0.000 0.822 11 S CB 2.033 65.306 63.200 0.121 0.000 1.150 11 S HN 0.570 nan 8.310 nan 0.000 0.479 12 N N -0.963 117.811 118.700 0.124 0.000 2.417 12 N HA 0.797 5.553 4.740 0.026 0.000 0.300 12 N C -0.247 175.324 175.510 0.102 0.000 1.102 12 N CA -0.479 52.642 53.050 0.118 0.000 0.886 12 N CB 1.852 40.400 38.487 0.103 0.000 1.203 12 N HN 1.029 nan 8.380 nan 0.000 0.496 13 G N -0.726 108.133 108.800 0.097 0.000 2.523 13 G HA2 0.581 4.557 3.960 0.026 0.000 0.291 13 G HA3 0.581 4.557 3.960 0.026 0.000 0.291 13 G C -1.722 173.209 174.900 0.052 0.000 1.450 13 G CA -0.735 44.408 45.100 0.073 0.000 0.790 13 G HN 0.640 nan 8.290 nan 0.000 0.496 14 A N -0.692 122.144 122.820 0.026 0.000 2.354 14 A HA 0.810 5.145 4.320 0.026 0.000 0.269 14 A C 0.460 178.028 177.584 -0.027 0.000 1.109 14 A CA 0.147 52.181 52.037 -0.005 0.000 0.800 14 A CB 0.691 19.675 19.000 -0.025 0.000 1.045 14 A HN 2.210 nan 8.150 nan 0.000 0.489 15 V N -0.316 119.555 119.914 -0.071 0.000 3.130 15 V HA 0.913 5.048 4.120 0.026 0.000 0.310 15 V C -0.078 175.939 176.094 -0.128 0.000 1.158 15 V CA 0.026 62.232 62.300 -0.155 0.000 1.029 15 V CB 1.968 33.499 31.823 -0.486 0.000 1.057 15 V HN 1.384 nan 8.190 nan 0.000 0.436 16 S N -0.139 115.485 115.700 -0.127 0.000 2.569 16 S HA 0.455 4.941 4.470 0.026 0.000 0.215 16 S C -1.732 172.834 174.600 -0.057 0.000 1.096 16 S CA -0.311 57.851 58.200 -0.062 0.000 1.183 16 S CB 0.674 63.847 63.200 -0.045 0.000 1.324 16 S HN 0.776 nan 8.310 nan 0.000 0.421 17 P HA -0.005 nan 4.420 nan 0.000 0.226 17 P C 0.257 177.530 177.300 -0.045 0.000 1.153 17 P CA 1.204 64.217 63.100 -0.145 0.000 0.777 17 P CB -0.097 31.391 31.700 -0.353 0.000 0.794 18 D N -1.901 118.528 120.400 0.048 0.000 2.538 18 D HA 0.194 4.850 4.640 0.026 0.000 0.231 18 D C 1.188 177.590 176.300 0.169 0.000 1.229 18 D CA -0.193 53.896 54.000 0.148 0.000 0.828 18 D CB -0.524 40.437 40.800 0.269 0.000 1.035 18 D HN 0.173 nan 8.370 nan 0.000 0.495 19 G N 0.269 109.141 108.800 0.120 0.000 2.159 19 G HA2 -0.269 3.706 3.960 0.026 0.000 0.256 19 G HA3 -0.269 3.706 3.960 0.026 0.000 0.256 19 G C -0.222 174.762 174.900 0.140 0.000 0.977 19 G CA 0.313 45.476 45.100 0.104 0.000 0.652 19 G HN 0.490 nan 8.290 nan 0.000 0.531 20 F N 1.959 121.897 119.950 -0.020 0.000 2.520 20 F HA 0.721 5.260 4.527 0.021 0.000 0.322 20 F C 0.086 175.855 175.800 -0.052 0.000 1.103 20 F CA -0.601 57.336 58.000 -0.105 0.000 0.926 20 F CB 1.999 40.783 39.000 -0.360 0.000 1.154 20 F HN 0.058 nan 8.300 nan 0.000 0.453 21 S N 5.407 120.629 115.700 -0.796 0.000 2.525 21 S HA 0.823 5.309 4.470 0.026 0.000 0.290 21 S C -0.931 173.341 174.600 -0.547 0.000 1.152 21 S CA -0.866 57.050 58.200 -0.473 0.000 1.072 21 S CB 1.592 64.599 63.200 -0.323 0.000 1.027 21 S HN 0.792 nan 8.310 nan 0.000 0.500 22 R N 0.571 120.980 120.500 -0.151 0.000 2.710 22 R HA 0.428 4.783 4.340 0.026 0.000 0.270 22 R C -1.569 174.749 176.300 0.030 0.000 1.021 22 R CA -1.098 54.985 56.100 -0.028 0.000 0.889 22 R CB 0.585 30.975 30.300 0.149 0.000 1.243 22 R HN 0.317 nan 8.270 nan 0.000 0.464 23 Q N 0.440 120.260 119.800 0.034 0.000 2.364 23 Q HA 0.529 4.884 4.340 0.026 0.000 0.267 23 Q C -0.447 175.608 176.000 0.092 0.000 0.999 23 Q CA 0.534 56.369 55.803 0.052 0.000 0.886 23 Q CB 1.666 30.432 28.738 0.047 0.000 1.243 23 Q HN 0.778 nan 8.270 nan 0.000 0.415 24 A N 2.459 125.345 122.820 0.110 0.000 2.594 24 A HA 0.698 5.033 4.320 0.026 0.000 0.307 24 A C -1.266 176.430 177.584 0.187 0.000 1.203 24 A CA -0.698 51.442 52.037 0.172 0.000 0.644 24 A CB 0.834 19.966 19.000 0.220 0.000 1.349 24 A HN 0.573 nan 8.150 nan 0.000 0.510 25 I N 1.010 121.740 120.570 0.267 0.000 2.354 25 I HA 0.403 4.588 4.170 0.026 0.000 0.292 25 I C -0.894 175.417 176.117 0.323 0.000 0.989 25 I CA -0.281 61.179 61.300 0.266 0.000 1.188 25 I CB 1.362 39.520 38.000 0.263 0.000 1.342 25 I HN 0.413 nan 8.210 nan 0.000 0.457 26 L N 6.553 127.930 121.223 0.257 0.000 2.334 26 L HA 0.636 4.992 4.340 0.026 0.000 0.275 26 L C -0.604 176.403 176.870 0.228 0.000 1.036 26 L CA -1.016 53.977 54.840 0.255 0.000 0.807 26 L CB 1.869 44.047 42.059 0.198 0.000 1.231 26 L HN 0.249 nan 8.230 nan 0.000 0.438 27 V N 1.938 121.985 119.914 0.221 0.000 2.444 27 V HA 0.288 4.423 4.120 0.026 0.000 0.294 27 V C -0.194 176.007 176.094 0.177 0.000 1.022 27 V CA -0.729 61.700 62.300 0.216 0.000 0.850 27 V CB 1.345 33.334 31.823 0.275 0.000 0.992 27 V HN 0.870 nan 8.190 nan 0.000 0.426 28 N N 3.936 122.728 118.700 0.153 0.000 2.727 28 N HA -0.198 4.558 4.740 0.026 0.000 0.249 28 N C 0.317 175.895 175.510 0.114 0.000 1.048 28 N CA 1.278 54.402 53.050 0.123 0.000 0.714 28 N CB -0.867 37.688 38.487 0.113 0.000 0.959 28 N HN 0.952 nan 8.380 nan 0.000 0.544 29 D N -3.824 116.649 120.400 0.122 0.000 3.079 29 D HA -0.180 4.475 4.640 0.026 0.000 0.214 29 D C 0.209 176.582 176.300 0.123 0.000 1.145 29 D CA 1.463 55.531 54.000 0.113 0.000 0.958 29 D CB -1.537 39.317 40.800 0.089 0.000 1.117 29 D HN 0.539 nan 8.370 nan 0.000 0.416 30 V N -2.634 117.365 119.914 0.141 0.000 2.914 30 V HA 0.870 5.005 4.120 0.026 0.000 0.314 30 V C -0.643 175.574 176.094 0.206 0.000 1.084 30 V CA -1.087 61.301 62.300 0.147 0.000 0.963 30 V CB 2.735 34.619 31.823 0.102 0.000 1.025 30 V HN -0.016 nan 8.190 nan 0.000 0.432 31 F N 4.767 124.744 119.950 0.044 0.000 2.556 31 F HA 0.926 5.468 4.527 0.026 0.000 0.314 31 F C -2.303 173.485 175.800 -0.021 0.000 1.106 31 F CA -1.824 56.188 58.000 0.019 0.000 0.911 31 F CB 2.143 41.143 39.000 -0.001 0.000 1.190 31 F HN 0.676 nan 8.300 nan 0.000 0.448 32 P HA 0.273 nan 4.420 nan 0.000 0.274 32 P C -0.933 176.135 177.300 -0.386 0.000 1.256 32 P CA -0.420 61.986 63.100 -1.156 0.000 0.795 32 P CB 0.785 31.939 31.700 -0.910 0.000 1.038 33 S N 1.635 117.181 115.700 -0.258 0.000 2.560 33 S HA 0.180 4.665 4.470 0.026 0.000 0.284 33 S C -1.871 172.773 174.600 0.072 0.000 1.327 33 S CA -0.584 57.619 58.200 0.005 0.000 1.055 33 S CB -0.620 62.596 63.200 0.027 0.000 0.868 33 S HN 0.461 nan 8.310 nan 0.000 0.506 34 P HA 0.164 nan 4.420 nan 0.000 0.274 34 P C -0.388 177.074 177.300 0.270 0.000 1.231 34 P CA -0.735 62.472 63.100 0.179 0.000 0.790 34 P CB 0.412 32.209 31.700 0.162 0.000 0.951 35 L N 3.104 124.442 121.223 0.192 0.000 2.455 35 L HA 0.186 4.541 4.340 0.026 0.000 0.272 35 L C -0.279 176.724 176.870 0.222 0.000 1.174 35 L CA 0.369 55.339 54.840 0.217 0.000 0.869 35 L CB -0.569 41.579 42.059 0.148 0.000 1.130 35 L HN 0.209 nan 8.230 nan 0.000 0.474 36 I N 4.465 125.192 120.570 0.262 0.000 2.441 36 I HA 0.494 4.680 4.170 0.026 0.000 0.295 36 I C 0.016 176.284 176.117 0.251 0.000 0.994 36 I CA -0.438 60.988 61.300 0.209 0.000 1.144 36 I CB 1.877 39.966 38.000 0.148 0.000 1.314 36 I HN 0.767 nan 8.210 nan 0.000 0.445 37 T N 1.500 116.200 114.554 0.243 0.000 2.906 37 T HA 0.919 5.284 4.350 0.026 0.000 0.295 37 T C -0.372 174.476 174.700 0.246 0.000 1.075 37 T CA -0.822 61.449 62.100 0.285 0.000 1.005 37 T CB 2.319 71.393 68.868 0.343 0.000 1.136 37 T HN 0.857 nan 8.240 nan 0.000 0.498 38 G N 0.423 109.391 108.800 0.280 0.000 2.663 38 G HA2 0.612 4.588 3.960 0.026 0.000 0.299 38 G HA3 0.612 4.588 3.960 0.026 0.000 0.299 38 G C -1.844 173.169 174.900 0.188 0.000 1.372 38 G CA -1.143 43.992 45.100 0.059 0.000 0.781 38 G HN 0.889 nan 8.290 nan 0.000 0.491 39 N N -0.233 118.511 118.700 0.074 0.000 2.404 39 N HA 0.406 5.161 4.740 0.026 0.000 0.297 39 N C -0.324 175.248 175.510 0.103 0.000 1.163 39 N CA -0.875 52.249 53.050 0.124 0.000 0.864 39 N CB 2.198 40.724 38.487 0.065 0.000 1.247 39 N HN 0.533 nan 8.380 nan 0.000 0.510 40 K N 0.582 121.052 120.400 0.116 0.000 2.504 40 K HA -0.018 4.318 4.320 0.026 0.000 0.278 40 K C 0.835 177.472 176.600 0.063 0.000 1.025 40 K CA 1.190 57.536 56.287 0.097 0.000 1.093 40 K CB -0.220 32.329 32.500 0.082 0.000 0.873 40 K HN 0.797 nan 8.250 nan 0.000 0.483 41 G N 3.070 111.912 108.800 0.069 0.000 2.213 41 G HA2 -0.218 3.757 3.960 0.026 0.000 0.236 41 G HA3 -0.218 3.757 3.960 0.026 0.000 0.236 41 G C -0.258 174.645 174.900 0.005 0.000 0.991 41 G CA 0.126 45.250 45.100 0.040 0.000 0.629 41 G HN 0.721 nan 8.290 nan 0.000 0.517 42 D N 0.405 120.788 120.400 -0.029 0.000 2.400 42 D HA 0.366 5.022 4.640 0.026 0.000 0.238 42 D C 0.909 177.104 176.300 -0.175 0.000 1.157 42 D CA 0.011 53.911 54.000 -0.167 0.000 0.889 42 D CB 0.536 41.117 40.800 -0.364 0.000 1.199 42 D HN 0.460 nan 8.370 nan 0.000 0.436 43 R N 1.766 122.116 120.500 -0.251 0.000 2.265 43 R HA 0.233 4.588 4.340 0.026 0.000 0.314 43 R C -0.855 175.142 176.300 -0.505 0.000 1.053 43 R CA -0.411 55.527 56.100 -0.270 0.000 0.931 43 R CB 0.210 30.393 30.300 -0.195 0.000 1.024 43 R HN 0.194 nan 8.270 nan 0.000 0.457 44 F N 2.844 122.373 119.950 -0.701 0.000 2.410 44 F HA 0.262 4.805 4.527 0.026 0.000 0.349 44 F C 0.289 175.589 175.800 -0.834 0.000 1.117 44 F CA -0.084 57.373 58.000 -0.906 0.000 1.104 44 F CB 1.839 39.901 39.000 -1.563 0.000 1.122 44 F HN 0.354 nan 8.300 nan 0.000 0.483 45 Q N 5.006 124.560 119.800 -0.409 0.000 2.464 45 Q HA 0.369 4.725 4.340 0.026 0.000 0.256 45 Q C -1.453 174.418 176.000 -0.216 0.000 1.020 45 Q CA -0.590 55.043 55.803 -0.284 0.000 0.716 45 Q CB 1.824 30.443 28.738 -0.198 0.000 1.230 45 Q HN 0.373 nan 8.270 nan 0.000 0.494 46 L N 2.691 123.786 121.223 -0.214 0.000 2.295 46 L HA 0.363 4.719 4.340 0.026 0.000 0.281 46 L C -0.203 176.713 176.870 0.078 0.000 1.018 46 L CA -0.542 54.231 54.840 -0.111 0.000 0.841 46 L CB 0.950 42.826 42.059 -0.304 0.000 1.218 46 L HN 0.485 nan 8.230 nan 0.000 0.424 47 N N 2.899 121.641 118.700 0.070 0.000 2.437 47 N HA 0.201 4.956 4.740 0.026 0.000 0.243 47 N C -0.760 174.866 175.510 0.193 0.000 1.041 47 N CA -0.154 52.962 53.050 0.109 0.000 0.940 47 N CB 1.044 39.563 38.487 0.054 0.000 1.133 47 N HN 0.261 nan 8.380 nan 0.000 0.506 48 V N 5.691 125.790 119.914 0.310 0.000 2.368 48 V HA 0.315 4.451 4.120 0.026 0.000 0.266 48 V C 0.422 176.689 176.094 0.287 0.000 1.045 48 V CA -0.480 62.031 62.300 0.352 0.000 0.899 48 V CB 0.239 32.388 31.823 0.544 0.000 1.006 48 V HN 0.535 nan 8.190 nan 0.000 0.470 49 I N 4.296 124.999 120.570 0.222 0.000 2.328 49 I HA 0.315 4.500 4.170 0.026 0.000 0.287 49 I C -0.247 175.980 176.117 0.185 0.000 1.012 49 I CA -0.321 61.090 61.300 0.185 0.000 1.195 49 I CB 1.387 39.470 38.000 0.138 0.000 1.350 49 I HN 0.477 nan 8.210 nan 0.000 0.464 50 D N 6.010 126.527 120.400 0.195 0.000 2.380 50 D HA 0.175 4.830 4.640 0.026 0.000 0.230 50 D C 0.110 176.503 176.300 0.155 0.000 1.154 50 D CA -0.086 54.026 54.000 0.187 0.000 0.859 50 D CB 0.665 41.589 40.800 0.206 0.000 1.045 50 D HN 0.308 nan 8.370 nan 0.000 0.495 51 N N 3.577 122.361 118.700 0.139 0.000 2.275 51 N HA 0.132 4.887 4.740 0.026 0.000 0.236 51 N C -0.070 175.510 175.510 0.116 0.000 1.154 51 N CA -0.160 52.959 53.050 0.115 0.000 0.866 51 N CB 0.196 38.743 38.487 0.100 0.000 1.093 51 N HN 0.473 nan 8.380 nan 0.000 0.515 52 M N 0.088 119.768 119.600 0.132 0.000 2.238 52 M HA 0.066 4.561 4.480 0.026 0.000 0.347 52 M C 1.189 177.561 176.300 0.120 0.000 1.173 52 M CA 0.534 55.911 55.300 0.130 0.000 1.147 52 M CB 0.845 33.532 32.600 0.144 0.000 1.547 52 M HN 0.072 nan 8.290 nan 0.000 0.455 53 T N -2.690 111.930 114.554 0.110 0.000 3.043 53 T HA 0.147 4.512 4.350 0.026 0.000 0.272 53 T C 0.261 175.026 174.700 0.110 0.000 0.990 53 T CA -0.464 61.696 62.100 0.101 0.000 0.897 53 T CB 0.022 68.938 68.868 0.080 0.000 1.111 53 T HN 0.587 nan 8.240 nan 0.000 0.529 54 N N 1.739 120.509 118.700 0.118 0.000 2.485 54 N HA 0.128 4.884 4.740 0.026 0.000 0.243 54 N C 0.578 176.174 175.510 0.143 0.000 0.987 54 N CA -0.231 52.889 53.050 0.118 0.000 0.940 54 N CB 0.681 39.224 38.487 0.094 0.000 1.122 54 N HN 0.383 nan 8.380 nan 0.000 0.509 55 H N 2.737 121.846 119.070 0.064 0.000 2.457 55 H HA -0.047 4.519 4.556 0.017 0.000 0.294 55 H C 0.426 175.794 175.328 0.066 0.000 1.064 55 H CA 1.413 57.500 56.048 0.066 0.000 1.330 55 H CB 0.687 30.480 29.762 0.052 0.000 1.395 55 H HN 0.480 nan 8.280 nan 0.000 0.541 56 T N 0.751 115.280 114.554 -0.043 0.000 2.833 56 T HA -0.100 4.266 4.350 0.026 0.000 0.269 56 T C 1.835 176.489 174.700 -0.078 0.000 1.054 56 T CA 1.280 63.327 62.100 -0.089 0.000 1.135 56 T CB -0.077 68.788 68.868 -0.004 0.000 0.869 56 T HN 0.393 nan 8.240 nan 0.000 0.466 57 M N 0.575 120.165 119.600 -0.018 0.000 2.383 57 M HA 0.356 4.851 4.480 0.026 0.000 0.247 57 M C -0.624 175.697 176.300 0.035 0.000 1.117 57 M CA 0.037 55.347 55.300 0.017 0.000 0.995 57 M CB 0.217 32.852 32.600 0.059 0.000 1.480 57 M HN 0.083 nan 8.290 nan 0.000 0.485 58 L N 0.705 121.928 121.223 0.000 0.000 1.827 58 L HA -0.227 4.129 4.340 0.026 0.000 0.479 58 L C 0.633 177.589 176.870 0.143 0.000 1.002 58 L CA -0.087 54.790 54.840 0.063 0.000 1.221 58 L CB -0.397 41.716 42.059 0.089 0.000 1.417 58 L HN 0.359 nan 8.230 nan 0.000 0.749 59 K N 0.613 121.133 120.400 0.200 0.000 2.217 59 K HA 0.041 4.376 4.320 0.026 0.000 0.202 59 K C 0.856 177.572 176.600 0.193 0.000 1.051 59 K CA 0.929 57.330 56.287 0.190 0.000 0.952 59 K CB 0.096 32.710 32.500 0.190 0.000 0.736 59 K HN 0.560 nan 8.250 nan 0.000 0.453 60 S N 0.232 116.065 115.700 0.222 0.000 2.645 60 S HA 0.243 4.729 4.470 0.026 0.000 0.266 60 S C 0.166 174.868 174.600 0.170 0.000 1.258 60 S CA -0.474 57.858 58.200 0.220 0.000 0.990 60 S CB 1.750 65.143 63.200 0.321 0.000 0.967 60 S HN 0.117 nan 8.310 nan 0.000 0.556 61 T N 0.011 114.647 114.554 0.136 0.000 2.802 61 T HA 0.613 4.978 4.350 0.026 0.000 0.311 61 T C -1.731 173.029 174.700 0.101 0.000 1.405 61 T CA -0.453 61.724 62.100 0.130 0.000 1.016 61 T CB 1.639 70.609 68.868 0.170 0.000 1.352 61 T HN 0.533 nan 8.240 nan 0.000 0.498 62 S N 1.633 117.400 115.700 0.111 0.000 2.543 62 S HA 0.705 5.190 4.470 0.026 0.000 0.271 62 S C -1.880 172.769 174.600 0.082 0.000 1.148 62 S CA -0.719 57.567 58.200 0.143 0.000 0.914 62 S CB 0.711 63.931 63.200 0.034 0.000 1.096 62 S HN 0.565 nan 8.310 nan 0.000 0.471 63 I N 4.385 124.944 120.570 -0.020 0.000 2.406 63 I HA 0.380 4.566 4.170 0.026 0.000 0.290 63 I C -0.093 175.510 176.117 -0.857 0.000 0.999 63 I CA -0.538 60.462 61.300 -0.499 0.000 1.124 63 I CB 1.201 38.738 38.000 -0.771 0.000 1.289 63 I HN 0.823 nan 8.210 nan 0.000 0.441 64 H N 5.699 124.229 119.070 -0.900 0.000 2.473 64 H HA 0.419 4.991 4.556 0.025 0.000 0.327 64 H C -1.477 173.157 175.328 -1.156 0.000 1.105 64 H CA -0.465 55.060 56.048 -0.872 0.000 1.280 64 H CB 0.845 30.367 29.762 -0.401 0.000 1.450 64 H HN 0.428 nan 8.280 nan 0.000 0.492 65 W N 5.158 125.968 121.300 -0.817 0.000 2.289 65 W HA 0.200 4.878 4.660 0.030 0.000 0.342 65 W C -0.191 175.941 176.519 -0.644 0.000 0.958 65 W CA -0.915 56.054 57.345 -0.627 0.000 1.492 65 W CB -0.230 28.768 29.460 -0.769 0.000 1.336 65 W HN 0.682 nan 8.180 nan 0.000 0.371 66 H N 1.903 120.555 119.070 -0.696 0.000 2.955 66 H HA 0.392 4.962 4.556 0.025 0.000 0.290 66 H C 1.344 176.654 175.328 -0.029 0.000 1.047 66 H CA 1.631 57.327 56.048 -0.585 0.000 1.484 66 H CB 0.409 29.721 29.762 -0.751 0.000 1.501 66 H HN 0.778 nan 8.280 nan 0.000 0.521 67 G N 3.919 112.738 108.800 0.032 0.000 2.253 67 G HA2 -0.252 3.723 3.960 0.026 0.000 0.209 67 G HA3 -0.252 3.723 3.960 0.026 0.000 0.209 67 G C -0.089 174.779 174.900 -0.055 0.000 0.997 67 G CA -0.185 44.993 45.100 0.131 0.000 0.640 67 G HN 0.528 nan 8.290 nan 0.000 0.496 68 F N 1.078 120.950 119.950 -0.130 0.000 2.443 68 F HA 0.598 5.140 4.527 0.025 0.000 0.353 68 F C 1.505 177.182 175.800 -0.206 0.000 1.101 68 F CA -0.707 57.085 58.000 -0.347 0.000 1.226 68 F CB 0.483 39.182 39.000 -0.502 0.000 1.140 68 F HN -0.076 nan 8.300 nan 0.000 0.557 69 F N 0.053 119.995 119.950 -0.013 0.000 2.234 69 F HA -0.124 4.418 4.527 0.025 0.000 0.299 69 F C 1.446 177.160 175.800 -0.143 0.000 1.087 69 F CA 0.558 58.455 58.000 -0.172 0.000 1.340 69 F CB -0.726 38.195 39.000 -0.132 0.000 1.031 69 F HN 0.395 nan 8.300 nan 0.000 0.500 70 Q N -0.389 119.506 119.800 0.157 0.000 2.475 70 Q HA -0.309 4.046 4.340 0.026 0.000 0.280 70 Q C -0.248 175.888 176.000 0.227 0.000 1.234 70 Q CA 0.778 56.648 55.803 0.111 0.000 0.873 70 Q CB -2.824 25.991 28.738 0.129 0.000 1.256 70 Q HN 0.633 nan 8.270 nan 0.000 0.475 71 H N -0.344 118.824 119.070 0.163 0.000 3.046 71 H HA 0.305 4.877 4.556 0.026 0.000 0.303 71 H C 1.556 176.966 175.328 0.137 0.000 1.002 71 H CA 2.243 58.388 56.048 0.161 0.000 1.460 71 H CB 0.184 30.021 29.762 0.124 0.000 1.493 71 H HN 0.481 nan 8.280 nan 0.000 0.559 72 G N 3.571 112.214 108.800 -0.263 0.000 2.179 72 G HA2 -0.320 3.656 3.960 0.026 0.000 0.260 72 G HA3 -0.320 3.656 3.960 0.026 0.000 0.260 72 G C 0.669 175.575 174.900 0.010 0.000 0.977 72 G CA 0.733 45.767 45.100 -0.109 0.000 0.641 72 G HN 1.061 nan 8.290 nan 0.000 0.533 73 T N -2.221 112.293 114.554 -0.068 0.000 3.533 73 T HA 0.385 4.750 4.350 0.026 0.000 0.275 73 T C 1.054 175.440 174.700 -0.523 0.000 1.000 73 T CA 0.565 62.433 62.100 -0.387 0.000 1.015 73 T CB 0.352 68.974 68.868 -0.410 0.000 1.153 73 T HN 0.212 nan 8.240 nan 0.000 0.504 74 N N 1.942 120.484 118.700 -0.263 0.000 2.205 74 N HA -0.131 4.625 4.740 0.026 0.000 0.186 74 N C 1.671 177.007 175.510 -0.290 0.000 1.015 74 N CA 1.809 54.675 53.050 -0.306 0.000 0.862 74 N CB -0.119 38.071 38.487 -0.494 0.000 0.986 74 N HN 0.876 nan 8.380 nan 0.000 0.429 75 W N 0.142 121.283 121.300 -0.265 0.000 2.468 75 W HA 0.103 4.778 4.660 0.024 0.000 0.262 75 W C 1.173 177.744 176.519 0.087 0.000 1.241 75 W CA 0.566 57.694 57.345 -0.362 0.000 1.232 75 W CB -0.647 28.239 29.460 -0.956 0.000 1.124 75 W HN 0.045 nan 8.180 nan 0.000 0.597 76 A N 0.610 123.115 122.820 -0.525 0.000 2.308 76 A HA 0.017 4.352 4.320 0.026 0.000 0.217 76 A C 1.472 179.194 177.584 0.230 0.000 1.216 76 A CA 0.880 52.806 52.037 -0.185 0.000 0.864 76 A CB -0.618 17.873 19.000 -0.847 0.000 0.902 76 A HN 0.158 nan 8.150 nan 0.000 0.499 77 D N -0.835 119.647 120.400 0.137 0.000 2.183 77 D HA 0.134 4.790 4.640 0.026 0.000 0.203 77 D C 1.588 178.061 176.300 0.289 0.000 0.969 77 D CA 2.213 56.362 54.000 0.249 0.000 0.842 77 D CB 0.088 41.068 40.800 0.299 0.000 0.957 77 D HN 0.496 nan 8.370 nan 0.000 0.484 78 G N -1.034 107.900 108.800 0.224 0.000 2.424 78 G HA2 -0.204 3.771 3.960 0.026 0.000 0.207 78 G HA3 -0.204 3.771 3.960 0.026 0.000 0.207 78 G C -1.951 172.911 174.900 -0.063 0.000 1.061 78 G CA -0.226 44.948 45.100 0.125 0.000 0.657 78 G HN 0.288 nan 8.290 nan 0.000 0.508 79 P HA 0.418 nan 4.420 nan 0.000 0.258 79 P C 0.351 177.474 177.300 -0.295 0.000 1.187 79 P CA 0.978 63.746 63.100 -0.554 0.000 0.767 79 P CB 0.741 31.901 31.700 -0.899 0.000 0.770 80 A N 4.497 127.211 122.820 -0.177 0.000 2.520 80 A HA 0.274 4.609 4.320 0.026 0.000 0.245 80 A C 0.424 177.825 177.584 -0.306 0.000 1.072 80 A CA 0.065 51.851 52.037 -0.419 0.000 0.761 80 A CB -1.102 17.637 19.000 -0.434 0.000 1.004 80 A HN 0.621 nan 8.150 nan 0.000 0.499 81 F N -0.345 119.532 119.950 -0.122 0.000 2.794 81 F HA -0.264 4.278 4.527 0.024 0.000 0.335 81 F C 1.071 176.812 175.800 -0.099 0.000 0.653 81 F CA 0.981 58.927 58.000 -0.089 0.000 1.266 81 F CB -2.048 36.935 39.000 -0.029 0.000 1.666 81 F HN 0.290 nan 8.300 nan 0.000 0.314 82 V N -1.469 118.360 119.914 -0.142 0.000 2.854 82 V HA 0.090 4.225 4.120 0.026 0.000 0.236 82 V C 1.408 177.397 176.094 -0.176 0.000 1.157 82 V CA 1.713 63.854 62.300 -0.265 0.000 1.187 82 V CB 0.002 31.385 31.823 -0.733 0.000 0.949 82 V HN 0.288 nan 8.190 nan 0.000 0.488 83 N N 0.081 118.685 118.700 -0.160 0.000 2.250 83 N HA 0.181 4.937 4.740 0.026 0.000 0.190 83 N C 0.222 175.906 175.510 0.290 0.000 1.116 83 N CA -0.047 53.006 53.050 0.005 0.000 0.881 83 N CB 0.588 39.038 38.487 -0.061 0.000 1.006 83 N HN 0.725 nan 8.380 nan 0.000 0.491 84 Q N -1.460 118.386 119.800 0.076 0.000 2.633 84 Q HA 0.457 4.812 4.340 0.026 0.000 0.289 84 Q C -1.543 174.193 176.000 -0.440 0.000 0.940 84 Q CA -0.927 54.831 55.803 -0.075 0.000 0.785 84 Q CB 0.760 29.488 28.738 -0.015 0.000 1.467 84 Q HN -0.111 nan 8.270 nan 0.000 0.401 85 c N 1.848 120.080 118.600 -0.613 0.000 2.534 85 c HA 0.522 5.107 4.570 0.026 0.000 0.385 85 c C -2.044 171.599 174.090 -0.745 0.000 1.264 85 c CA -0.661 55.208 56.329 -0.766 0.000 2.342 85 c CB 0.001 42.175 42.510 -0.560 0.000 2.564 85 c HN 0.639 nan 8.230 nan 0.000 0.603 86 P HA 0.146 nan 4.420 nan 0.000 0.269 86 P C -0.511 176.604 177.300 -0.309 0.000 1.215 86 P CA 0.195 62.975 63.100 -0.534 0.000 0.780 86 P CB 0.215 31.593 31.700 -0.537 0.000 0.898 87 I N 0.947 121.434 120.570 -0.138 0.000 2.710 87 I HA -0.014 4.171 4.170 0.026 0.000 0.286 87 I C 0.819 176.983 176.117 0.079 0.000 1.181 87 I CA 0.649 61.933 61.300 -0.027 0.000 1.430 87 I CB 0.050 38.124 38.000 0.123 0.000 1.367 87 I HN 0.270 nan 8.210 nan 0.000 0.577 88 S N 3.650 119.394 115.700 0.073 0.000 2.616 88 S HA 0.185 4.670 4.470 0.026 0.000 0.277 88 S C 0.176 174.931 174.600 0.259 0.000 1.234 88 S CA -0.588 57.704 58.200 0.154 0.000 1.028 88 S CB 1.515 64.728 63.200 0.021 0.000 0.988 88 S HN 0.721 nan 8.310 nan 0.000 0.522 89 T N 1.024 115.718 114.554 0.234 0.000 2.940 89 T HA 0.407 4.773 4.350 0.026 0.000 0.309 89 T C 1.383 176.219 174.700 0.227 0.000 1.056 89 T CA 1.208 63.434 62.100 0.209 0.000 1.137 89 T CB -0.294 68.669 68.868 0.159 0.000 0.976 89 T HN 1.140 nan 8.240 nan 0.000 0.547 90 G N 3.203 112.084 108.800 0.135 0.000 2.176 90 G HA2 -0.162 3.813 3.960 0.026 0.000 0.253 90 G HA3 -0.162 3.813 3.960 0.026 0.000 0.253 90 G C 0.179 174.985 174.900 -0.156 0.000 0.979 90 G CA 0.414 45.511 45.100 -0.005 0.000 0.641 90 G HN 0.886 nan 8.290 nan 0.000 0.530 91 H N -0.178 118.944 119.070 0.088 0.000 2.737 91 H HA 0.782 5.353 4.556 0.025 0.000 0.358 91 H C 0.184 175.587 175.328 0.126 0.000 1.187 91 H CA -0.029 56.075 56.048 0.094 0.000 1.221 91 H CB 2.082 31.894 29.762 0.084 0.000 1.799 91 H HN 0.618 nan 8.280 nan 0.000 0.568 92 A N 1.106 124.090 122.820 0.273 0.000 2.423 92 A HA 0.619 4.954 4.320 0.026 0.000 0.304 92 A C -1.877 175.902 177.584 0.325 0.000 1.104 92 A CA -0.531 51.657 52.037 0.252 0.000 0.757 92 A CB 1.780 20.883 19.000 0.172 0.000 1.313 92 A HN 0.465 nan 8.150 nan 0.000 0.423 93 F N 1.159 121.184 119.950 0.125 0.000 2.588 93 F HA 0.555 5.098 4.527 0.027 0.000 0.318 93 F C -1.541 174.306 175.800 0.079 0.000 1.155 93 F CA -1.012 57.024 58.000 0.060 0.000 0.967 93 F CB 1.774 40.770 39.000 -0.007 0.000 1.236 93 F HN 0.501 nan 8.300 nan 0.000 0.455 94 L N 7.521 128.383 121.223 -0.603 0.000 2.278 94 L HA 0.422 4.778 4.340 0.026 0.000 0.287 94 L C -1.545 174.943 176.870 -0.636 0.000 1.072 94 L CA -0.113 54.471 54.840 -0.426 0.000 0.819 94 L CB -0.040 41.890 42.059 -0.214 0.000 1.176 94 L HN 0.528 nan 8.230 nan 0.000 0.435 95 Y N 3.832 124.012 120.300 -0.201 0.000 2.404 95 Y HA 0.365 4.930 4.550 0.024 0.000 0.344 95 Y C 0.098 175.936 175.900 -0.103 0.000 0.995 95 Y CA -0.209 57.878 58.100 -0.022 0.000 1.201 95 Y CB 0.752 39.301 38.460 0.147 0.000 1.151 95 Y HN 0.524 nan 8.280 nan 0.000 0.517 96 D N 5.691 126.183 120.400 0.153 0.000 2.473 96 D HA 0.329 4.984 4.640 0.026 0.000 0.253 96 D C -1.350 174.980 176.300 0.050 0.000 1.233 96 D CA -0.344 53.663 54.000 0.011 0.000 0.908 96 D CB 0.449 41.323 40.800 0.124 0.000 1.170 96 D HN 0.314 nan 8.370 nan 0.000 0.558 97 F N 0.352 120.200 119.950 -0.170 0.000 2.711 97 F HA 0.591 5.133 4.527 0.026 0.000 0.313 97 F C -0.992 174.748 175.800 -0.101 0.000 1.141 97 F CA -0.988 56.902 58.000 -0.184 0.000 0.941 97 F CB 1.106 39.899 39.000 -0.345 0.000 1.349 97 F HN 0.019 nan 8.300 nan 0.000 0.464 98 Q N 0.417 120.321 119.800 0.173 0.000 2.351 98 Q HA 0.755 5.111 4.340 0.026 0.000 0.273 98 Q C -1.396 174.748 176.000 0.240 0.000 1.077 98 Q CA -1.360 54.520 55.803 0.129 0.000 0.843 98 Q CB 3.168 31.961 28.738 0.091 0.000 1.367 98 Q HN 0.623 nan 8.270 nan 0.000 0.449 99 V N 2.619 122.665 119.914 0.219 0.000 2.361 99 V HA 0.152 4.287 4.120 0.026 0.000 0.252 99 V C -1.868 174.310 176.094 0.140 0.000 0.986 99 V CA -0.906 61.531 62.300 0.229 0.000 1.033 99 V CB 0.625 32.656 31.823 0.346 0.000 1.282 99 V HN 0.708 nan 8.190 nan 0.000 0.514 100 P HA -0.071 nan 4.420 nan 0.000 0.219 100 P C 0.460 177.805 177.300 0.075 0.000 1.150 100 P CA 1.385 64.536 63.100 0.085 0.000 0.814 100 P CB 0.363 32.112 31.700 0.083 0.000 0.787 101 D N -2.462 117.989 120.400 0.086 0.000 2.563 101 D HA 0.120 4.775 4.640 0.026 0.000 0.237 101 D C 0.227 176.565 176.300 0.063 0.000 1.282 101 D CA -0.181 53.870 54.000 0.085 0.000 0.816 101 D CB -0.168 40.708 40.800 0.127 0.000 1.066 101 D HN 0.159 nan 8.370 nan 0.000 0.501 102 Q N -0.096 119.716 119.800 0.021 0.000 2.397 102 Q HA 0.816 5.172 4.340 0.026 0.000 0.275 102 Q C -1.410 174.624 176.000 0.057 0.000 1.090 102 Q CA -1.152 54.640 55.803 -0.019 0.000 0.809 102 Q CB 2.983 31.603 28.738 -0.196 0.000 1.362 102 Q HN 0.211 nan 8.270 nan 0.000 0.431 103 A N 0.429 123.308 122.820 0.099 0.000 2.606 103 A HA 0.989 5.324 4.320 0.026 0.000 0.293 103 A C -0.516 177.125 177.584 0.096 0.000 1.082 103 A CA 0.111 52.234 52.037 0.144 0.000 0.685 103 A CB 1.867 20.921 19.000 0.090 0.000 1.284 103 A HN 0.936 nan 8.150 nan 0.000 0.408 104 G N -0.723 108.127 108.800 0.083 0.000 2.260 104 G HA2 0.475 4.450 3.960 0.026 0.000 0.250 104 G HA3 0.475 4.450 3.960 0.026 0.000 0.250 104 G C -0.682 174.062 174.900 -0.260 0.000 1.340 104 G CA 0.045 45.036 45.100 -0.182 0.000 1.056 104 G HN 1.358 nan 8.290 nan 0.000 0.471 105 T N 1.186 115.421 114.554 -0.532 0.000 2.771 105 T HA 0.733 5.098 4.350 0.026 0.000 0.281 105 T C -0.808 173.531 174.700 -0.602 0.000 0.982 105 T CA 0.108 61.984 62.100 -0.373 0.000 0.978 105 T CB 0.803 69.499 68.868 -0.287 0.000 0.930 105 T HN 0.443 nan 8.240 nan 0.000 0.447 106 F N 1.423 121.325 119.950 -0.079 0.000 2.814 106 F HA 0.842 5.384 4.527 0.025 0.000 0.353 106 F C -0.696 175.257 175.800 0.256 0.000 1.177 106 F CA -1.022 56.991 58.000 0.021 0.000 1.036 106 F CB 1.621 40.550 39.000 -0.118 0.000 1.455 106 F HN 0.601 nan 8.300 nan 0.000 0.520 107 W N 0.399 121.832 121.300 0.221 0.000 3.005 107 W HA 0.568 5.242 4.660 0.023 0.000 0.343 107 W C -2.503 174.151 176.519 0.224 0.000 1.243 107 W CA -1.933 55.502 57.345 0.149 0.000 1.186 107 W CB 0.250 29.664 29.460 -0.078 0.000 1.453 107 W HN 0.634 nan 8.180 nan 0.000 0.575 108 Y N 0.471 120.813 120.300 0.070 0.000 2.536 108 Y HA 0.805 5.370 4.550 0.025 0.000 0.347 108 Y C -0.815 174.901 175.900 -0.307 0.000 1.000 108 Y CA -1.238 56.651 58.100 -0.351 0.000 1.051 108 Y CB 1.842 40.126 38.460 -0.294 0.000 1.259 108 Y HN 0.695 nan 8.280 nan 0.000 0.468 109 H N -1.187 117.583 119.070 -0.500 0.000 3.068 109 H HA 0.463 5.034 4.556 0.024 0.000 0.342 109 H C -1.112 174.096 175.328 -0.201 0.000 1.284 109 H CA -1.096 54.715 56.048 -0.396 0.000 1.181 109 H CB 0.989 30.295 29.762 -0.760 0.000 1.898 109 H HN 0.791 nan 8.280 nan 0.000 0.540 110 S N 0.503 116.282 115.700 0.132 0.000 2.558 110 S HA -0.061 4.424 4.470 0.026 0.000 0.291 110 S C -0.024 174.727 174.600 0.252 0.000 1.306 110 S CA -0.070 58.228 58.200 0.164 0.000 1.056 110 S CB -0.083 63.254 63.200 0.228 0.000 0.836 110 S HN 0.822 nan 8.310 nan 0.000 0.504 111 H N 3.961 123.088 119.070 0.097 0.000 2.505 111 H HA 0.388 4.959 4.556 0.025 0.000 0.260 111 H C -1.005 174.379 175.328 0.093 0.000 1.168 111 H CA -0.401 55.725 56.048 0.129 0.000 0.945 111 H CB 0.136 29.925 29.762 0.045 0.000 1.800 111 H HN 0.474 nan 8.280 nan 0.000 0.586 112 L N 0.774 122.122 121.223 0.208 0.000 2.319 112 L HA 0.359 4.714 4.340 0.026 0.000 0.281 112 L C 0.690 177.654 176.870 0.156 0.000 1.005 112 L CA 0.435 55.377 54.840 0.170 0.000 0.828 112 L CB 1.326 43.455 42.059 0.116 0.000 1.227 112 L HN 0.292 nan 8.230 nan 0.000 0.415 113 S N 3.033 118.839 115.700 0.176 0.000 3.711 113 S HA -0.310 4.175 4.470 0.026 0.000 0.625 113 S C 0.940 175.552 174.600 0.022 0.000 2.458 113 S CA 1.945 60.216 58.200 0.117 0.000 4.059 113 S CB -1.405 61.864 63.200 0.115 0.000 0.257 113 S HN 1.364 nan 8.310 nan 0.000 0.974 114 T N 0.124 114.664 114.554 -0.023 0.000 3.251 114 T HA 0.376 4.741 4.350 0.026 0.000 0.259 114 T C 1.198 175.810 174.700 -0.146 0.000 0.998 114 T CA 0.830 62.831 62.100 -0.165 0.000 0.905 114 T CB 0.366 69.157 68.868 -0.127 0.000 1.067 114 T HN 0.605 nan 8.240 nan 0.000 0.569 115 Q N 1.368 121.159 119.800 -0.015 0.000 2.170 115 Q HA -0.115 4.240 4.340 0.026 0.000 0.203 115 Q C 2.358 178.425 176.000 0.112 0.000 0.976 115 Q CA 1.151 56.991 55.803 0.060 0.000 0.858 115 Q CB -0.045 28.765 28.738 0.119 0.000 0.907 115 Q HN 0.567 nan 8.270 nan 0.000 0.433 116 Y N -0.470 119.871 120.300 0.068 0.000 2.421 116 Y HA -0.127 4.442 4.550 0.032 0.000 0.292 116 Y C 1.693 177.687 175.900 0.156 0.000 1.136 116 Y CA 0.243 58.417 58.100 0.124 0.000 1.255 116 Y CB -0.735 37.804 38.460 0.132 0.000 0.991 116 Y HN -0.015 nan 8.280 nan 0.000 0.552 117 c N 1.082 119.539 118.600 -0.238 0.000 2.419 117 c HA -0.140 4.446 4.570 0.026 0.000 0.281 117 c C 1.803 175.960 174.090 0.112 0.000 1.336 117 c CA 0.993 57.255 56.329 -0.113 0.000 1.770 117 c CB -0.867 41.456 42.510 -0.313 0.000 1.929 117 c HN 0.583 nan 8.230 nan 0.000 0.509 118 D N 0.842 121.311 120.400 0.115 0.000 2.349 118 D HA -0.030 4.625 4.640 0.026 0.000 0.224 118 D C 0.481 177.016 176.300 0.393 0.000 1.029 118 D CA 0.267 54.365 54.000 0.162 0.000 0.879 118 D CB 0.167 41.028 40.800 0.102 0.000 0.906 118 D HN 0.261 nan 8.370 nan 0.000 0.528 119 G N -0.519 108.588 108.800 0.513 0.000 2.370 119 G HA2 -0.251 nan 3.960 nan 0.000 0.174 119 G HA3 -0.251 nan 3.960 nan 0.000 0.174 119 G C 0.239 175.423 174.900 0.472 0.000 1.002 119 G CA -0.433 45.100 45.100 0.721 0.000 0.730 119 G HN -0.209 8.316 8.290 0.392 0.000 0.497 120 L N 2.022 123.465 121.223 0.367 0.000 2.375 120 L HA 0.621 4.976 4.340 0.026 0.000 0.276 120 L C 0.448 177.439 176.870 0.201 0.000 1.162 120 L CA -0.438 54.563 54.840 0.270 0.000 0.991 120 L CB -0.460 41.752 42.059 0.254 0.000 1.315 120 L HN 0.251 nan 8.230 nan 0.000 0.431 121 R N 2.732 123.267 120.500 0.058 0.000 2.647 121 R HA 0.702 5.058 4.340 0.026 0.000 0.260 121 R C -1.335 174.795 176.300 -0.283 0.000 1.154 121 R CA -0.785 55.287 56.100 -0.047 0.000 1.029 121 R CB 0.984 31.457 30.300 0.288 0.000 1.262 121 R HN 0.396 nan 8.270 nan 0.000 0.437 122 G N 2.259 110.664 108.800 -0.658 0.000 2.692 122 G HA2 0.681 4.657 3.960 0.026 0.000 0.291 122 G HA3 0.681 4.657 3.960 0.026 0.000 0.291 122 G C -3.155 171.669 174.900 -0.127 0.000 1.423 122 G CA -1.457 43.373 45.100 -0.449 0.000 0.843 122 G HN 0.399 nan 8.290 nan 0.000 0.486 123 P HA 0.558 nan 4.420 nan 0.000 0.281 123 P C -0.737 176.774 177.300 0.351 0.000 1.249 123 P CA -0.354 62.860 63.100 0.190 0.000 0.810 123 P CB 1.864 33.604 31.700 0.067 0.000 1.008 124 I N 0.930 121.711 120.570 0.352 0.000 2.582 124 I HA 0.362 4.548 4.170 0.026 0.000 0.292 124 I C -0.564 175.705 176.117 0.254 0.000 1.066 124 I CA -1.152 60.360 61.300 0.353 0.000 1.053 124 I CB 2.557 40.827 38.000 0.450 0.000 1.241 124 I HN -0.015 nan 8.210 nan 0.000 0.421 125 V N 6.379 126.384 119.914 0.151 0.000 2.487 125 V HA 0.398 4.534 4.120 0.026 0.000 0.298 125 V C -0.352 175.706 176.094 -0.060 0.000 1.028 125 V CA -0.715 61.547 62.300 -0.062 0.000 0.860 125 V CB 2.212 33.799 31.823 -0.392 0.000 0.991 125 V HN 0.384 nan 8.190 nan 0.000 0.427 126 V N 5.570 125.494 119.914 0.017 0.000 2.313 126 V HA 0.410 4.545 4.120 0.026 0.000 0.278 126 V C -0.615 175.460 176.094 -0.032 0.000 1.017 126 V CA -0.701 61.657 62.300 0.097 0.000 0.823 126 V CB 0.686 32.630 31.823 0.202 0.000 1.010 126 V HN 0.718 nan 8.190 nan 0.000 0.443 127 Y N 2.192 122.575 120.300 0.138 0.000 2.304 127 Y HA 0.388 4.953 4.550 0.026 0.000 0.327 127 Y C 0.595 176.543 175.900 0.080 0.000 1.209 127 Y CA -0.161 57.995 58.100 0.095 0.000 1.299 127 Y CB 0.793 39.294 38.460 0.068 0.000 1.249 127 Y HN 0.530 nan 8.280 nan 0.000 0.519 128 D N 3.634 124.172 120.400 0.231 0.000 2.414 128 D HA 0.241 4.896 4.640 0.026 0.000 0.232 128 D C -1.954 174.417 176.300 0.119 0.000 1.070 128 D CA -2.621 51.463 54.000 0.140 0.000 0.839 128 D CB 1.674 42.533 40.800 0.099 0.000 1.079 128 D HN 0.199 nan 8.370 nan 0.000 0.521 129 P HA -0.062 nan 4.420 nan 0.000 0.226 129 P C 0.297 177.611 177.300 0.023 0.000 1.153 129 P CA 0.668 63.794 63.100 0.044 0.000 0.777 129 P CB 0.538 32.252 31.700 0.024 0.000 0.794 130 Q N -0.002 119.813 119.800 0.024 0.000 2.211 130 Q HA 0.131 4.486 4.340 0.026 0.000 0.301 130 Q C -0.105 175.895 176.000 0.000 0.000 0.884 130 Q CA -0.325 55.480 55.803 0.003 0.000 1.115 130 Q CB -0.253 28.482 28.738 -0.004 0.000 1.217 130 Q HN 0.248 nan 8.270 nan 0.000 0.451 131 D N 2.700 123.116 120.400 0.026 0.000 2.520 131 D HA -0.047 4.609 4.640 0.026 0.000 0.243 131 D C -1.293 174.992 176.300 -0.024 0.000 1.160 131 D CA -0.873 53.147 54.000 0.035 0.000 0.877 131 D CB 1.322 42.196 40.800 0.124 0.000 1.150 131 D HN 0.065 nan 8.370 nan 0.000 0.494 132 P HA -0.116 nan 4.420 nan 0.000 0.228 132 P C 0.596 177.787 177.300 -0.181 0.000 1.151 132 P CA 0.933 63.928 63.100 -0.176 0.000 0.770 132 P CB 0.256 31.793 31.700 -0.272 0.000 0.786 133 H N -0.104 118.987 119.070 0.034 0.000 2.586 133 H HA 0.115 4.686 4.556 0.026 0.000 0.273 133 H C 1.873 177.154 175.328 -0.077 0.000 0.997 133 H CA 0.471 56.551 56.048 0.054 0.000 1.177 133 H CB 0.153 30.016 29.762 0.168 0.000 1.471 133 H HN 0.335 nan 8.280 nan 0.000 0.538 134 K N 0.226 120.574 120.400 -0.086 0.000 2.209 134 K HA -0.017 4.318 4.320 0.026 0.000 0.204 134 K C 1.386 177.588 176.600 -0.663 0.000 1.048 134 K CA 1.447 57.455 56.287 -0.466 0.000 0.940 134 K CB 0.095 32.476 32.500 -0.198 0.000 0.729 134 K HN -0.161 nan 8.250 nan 0.000 0.451 135 S N 0.657 116.160 115.700 -0.330 0.000 2.593 135 S HA 0.208 4.693 4.470 0.026 0.000 0.217 135 S C 1.254 175.727 174.600 -0.212 0.000 0.966 135 S CA 0.029 58.078 58.200 -0.252 0.000 0.914 135 S CB -0.079 63.042 63.200 -0.131 0.000 0.776 135 S HN 0.253 nan 8.310 nan 0.000 0.523 136 L N 0.839 121.931 121.223 -0.220 0.000 2.554 136 L HA 0.134 4.490 4.340 0.026 0.000 0.226 136 L C 0.077 176.956 176.870 0.015 0.000 1.137 136 L CA 0.350 55.166 54.840 -0.040 0.000 0.863 136 L CB -0.148 41.981 42.059 0.117 0.000 0.985 136 L HN 0.462 nan 8.230 nan 0.000 0.451 137 Y N -5.250 115.023 120.300 -0.044 0.000 2.625 137 Y HA 0.410 4.976 4.550 0.026 0.000 0.338 137 Y C 0.029 175.843 175.900 -0.143 0.000 1.123 137 Y CA -1.404 56.633 58.100 -0.104 0.000 1.046 137 Y CB 0.523 38.912 38.460 -0.119 0.000 1.299 137 Y HN -0.224 nan 8.280 nan 0.000 0.464 138 D N 0.497 120.879 120.400 -0.030 0.000 2.394 138 D HA 0.149 4.805 4.640 0.026 0.000 0.226 138 D C -0.374 175.859 176.300 -0.112 0.000 0.990 138 D CA 0.983 54.907 54.000 -0.127 0.000 0.902 138 D CB 1.237 41.902 40.800 -0.225 0.000 1.038 138 D HN 0.260 nan 8.370 nan 0.000 0.499 139 V N 1.448 121.244 119.914 -0.196 0.000 2.487 139 V HA 0.368 4.504 4.120 0.026 0.000 0.298 139 V C -1.077 174.924 176.094 -0.155 0.000 1.028 139 V CA -0.723 61.451 62.300 -0.210 0.000 0.860 139 V CB 2.254 33.843 31.823 -0.388 0.000 0.991 139 V HN -0.072 nan 8.190 nan 0.000 0.427 140 D N 3.294 123.648 120.400 -0.076 0.000 2.319 140 D HA 0.490 5.145 4.640 0.026 0.000 0.237 140 D C -1.066 175.238 176.300 0.006 0.000 1.353 140 D CA -0.224 53.725 54.000 -0.084 0.000 0.992 140 D CB 1.217 42.002 40.800 -0.026 0.000 1.368 140 D HN 0.724 nan 8.370 nan 0.000 0.564 141 D N 0.609 121.016 120.400 0.012 0.000 2.921 141 D HA 0.257 4.912 4.640 0.026 0.000 0.329 141 D C 0.480 176.834 176.300 0.090 0.000 1.293 141 D CA -0.445 53.582 54.000 0.044 0.000 0.964 141 D CB 0.107 40.898 40.800 -0.016 0.000 1.435 141 D HN -0.099 nan 8.370 nan 0.000 0.548 142 D N -0.473 119.978 120.400 0.084 0.000 2.190 142 D HA -0.140 4.515 4.640 0.026 0.000 0.200 142 D C 1.795 178.133 176.300 0.062 0.000 0.992 142 D CA 2.325 56.375 54.000 0.084 0.000 0.854 142 D CB -0.396 40.446 40.800 0.070 0.000 0.936 142 D HN 0.401 nan 8.370 nan 0.000 0.462 143 S N -0.689 115.041 115.700 0.051 0.000 2.522 143 S HA -0.068 4.418 4.470 0.026 0.000 0.227 143 S C 1.665 176.319 174.600 0.090 0.000 0.986 143 S CA 1.194 59.430 58.200 0.060 0.000 0.929 143 S CB -0.422 62.812 63.200 0.056 0.000 0.769 143 S HN 0.317 nan 8.310 nan 0.000 0.529 144 T N -0.974 113.605 114.554 0.042 0.000 3.092 144 T HA 0.394 4.759 4.350 0.026 0.000 0.258 144 T C 0.199 174.953 174.700 0.091 0.000 1.031 144 T CA -0.363 61.745 62.100 0.013 0.000 0.925 144 T CB -0.125 68.521 68.868 -0.369 0.000 1.036 144 T HN 0.125 nan 8.240 nan 0.000 0.544 145 V N 2.688 122.636 119.914 0.056 0.000 2.488 145 V HA 0.423 4.558 4.120 0.026 0.000 0.277 145 V C 0.034 176.136 176.094 0.013 0.000 1.046 145 V CA -0.617 61.690 62.300 0.012 0.000 0.986 145 V CB 0.671 32.498 31.823 0.007 0.000 0.989 145 V HN 0.482 nan 8.190 nan 0.000 0.475 146 I N 4.978 125.524 120.570 -0.040 0.000 2.410 146 I HA 0.380 4.566 4.170 0.026 0.000 0.286 146 I C 0.315 176.349 176.117 -0.139 0.000 1.009 146 I CA -0.307 60.950 61.300 -0.072 0.000 1.111 146 I CB 2.013 39.956 38.000 -0.094 0.000 1.262 146 I HN 0.686 nan 8.210 nan 0.000 0.443 147 T N 5.068 119.543 114.554 -0.132 0.000 2.902 147 T HA 0.752 5.118 4.350 0.026 0.000 0.283 147 T C -0.502 174.085 174.700 -0.187 0.000 1.009 147 T CA -0.738 61.248 62.100 -0.190 0.000 1.051 147 T CB 1.583 70.340 68.868 -0.186 0.000 0.999 147 T HN 0.345 nan 8.240 nan 0.000 0.474 148 L N 1.896 122.968 121.223 -0.252 0.000 2.346 148 L HA 0.829 5.185 4.340 0.026 0.000 0.276 148 L C -0.043 176.678 176.870 -0.248 0.000 1.006 148 L CA -1.196 53.476 54.840 -0.280 0.000 0.817 148 L CB 1.765 43.586 42.059 -0.398 0.000 1.272 148 L HN 1.026 nan 8.230 nan 0.000 0.421 149 A N 1.518 124.239 122.820 -0.164 0.000 2.549 149 A HA 0.623 4.958 4.320 0.026 0.000 0.297 149 A C -1.607 176.043 177.584 0.109 0.000 1.061 149 A CA -0.787 51.252 52.037 0.004 0.000 0.690 149 A CB 1.554 20.597 19.000 0.070 0.000 1.287 149 A HN 0.715 nan 8.150 nan 0.000 0.402 150 D N 0.892 121.422 120.400 0.217 0.000 2.304 150 D HA 0.341 4.996 4.640 0.026 0.000 0.247 150 D C -0.447 176.020 176.300 0.279 0.000 1.089 150 D CA -0.213 53.890 54.000 0.171 0.000 0.910 150 D CB 1.130 42.018 40.800 0.147 0.000 1.199 150 D HN 0.604 nan 8.370 nan 0.000 0.426 151 W N 2.050 123.216 121.300 -0.224 0.000 2.883 151 W HA 0.403 5.085 4.660 0.037 0.000 0.335 151 W C -1.940 174.358 176.519 -0.368 0.000 1.083 151 W CA -0.899 56.390 57.345 -0.094 0.000 1.233 151 W CB 1.766 31.265 29.460 0.065 0.000 1.412 151 W HN 0.314 nan 8.180 nan 0.000 0.490 152 Y N 2.762 122.655 120.300 -0.678 0.000 2.409 152 Y HA 0.235 4.806 4.550 0.035 0.000 0.343 152 Y C 1.174 176.805 175.900 -0.449 0.000 0.973 152 Y CA -0.658 57.156 58.100 -0.477 0.000 1.064 152 Y CB 1.750 40.007 38.460 -0.338 0.000 1.207 152 Y HN 0.458 nan 8.280 nan 0.000 0.452 153 H N 1.350 120.328 119.070 -0.153 0.000 2.502 153 H HA 0.144 4.714 4.556 0.023 0.000 0.283 153 H C -0.318 175.025 175.328 0.025 0.000 1.015 153 H CA 0.324 56.332 56.048 -0.067 0.000 1.298 153 H CB 0.438 29.985 29.762 -0.359 0.000 1.411 153 H HN 0.301 nan 8.280 nan 0.000 0.556 154 L N 0.808 122.078 121.223 0.078 0.000 2.325 154 L HA 0.468 4.823 4.340 0.026 0.000 0.278 154 L C 0.324 177.165 176.870 -0.048 0.000 1.023 154 L CA -1.086 53.772 54.840 0.029 0.000 0.811 154 L CB 1.581 43.642 42.059 0.004 0.000 1.249 154 L HN 0.079 nan 8.230 nan 0.000 0.431 155 A N 1.798 124.591 122.820 -0.046 0.000 2.366 155 A HA 0.447 4.783 4.320 0.026 0.000 0.250 155 A C 1.303 178.826 177.584 -0.102 0.000 1.099 155 A CA 0.519 52.509 52.037 -0.079 0.000 0.794 155 A CB 0.309 19.290 19.000 -0.033 0.000 1.056 155 A HN 0.963 nan 8.150 nan 0.000 0.499 156 A N 0.226 122.988 122.820 -0.097 0.000 1.940 156 A HA -0.140 4.196 4.320 0.026 0.000 0.219 156 A C 1.798 179.354 177.584 -0.047 0.000 1.176 156 A CA 1.968 53.963 52.037 -0.069 0.000 0.631 156 A CB -0.390 18.600 19.000 -0.016 0.000 0.814 156 A HN 0.772 nan 8.150 nan 0.000 0.446 157 K N -0.768 119.610 120.400 -0.037 0.000 2.404 157 K HA 0.228 4.563 4.320 0.026 0.000 0.194 157 K C 1.112 177.692 176.600 -0.033 0.000 1.023 157 K CA 0.393 56.663 56.287 -0.029 0.000 1.094 157 K CB 0.447 32.928 32.500 -0.030 0.000 0.841 157 K HN 0.348 nan 8.250 nan 0.000 0.523 158 V N 0.185 120.074 119.914 -0.042 0.000 2.922 158 V HA 0.053 4.188 4.120 0.026 0.000 0.242 158 V C 1.438 177.506 176.094 -0.043 0.000 1.094 158 V CA 0.855 63.137 62.300 -0.030 0.000 1.106 158 V CB 0.328 32.143 31.823 -0.013 0.000 0.799 158 V HN 0.301 nan 8.190 nan 0.000 0.474 159 G N -0.435 108.320 108.800 -0.075 0.000 2.494 159 G HA2 0.260 4.236 3.960 0.026 0.000 0.270 159 G HA3 0.260 4.236 3.960 0.026 0.000 0.270 159 G C 0.133 174.965 174.900 -0.114 0.000 1.423 159 G CA 0.352 45.396 45.100 -0.094 0.000 1.055 159 G HN 0.279 nan 8.290 nan 0.000 0.536 160 S N -0.232 115.385 115.700 -0.138 0.000 2.568 160 S HA 0.160 4.645 4.470 0.026 0.000 0.282 160 S C -0.934 173.545 174.600 -0.202 0.000 1.338 160 S CA -0.694 57.421 58.200 -0.142 0.000 1.045 160 S CB 0.917 64.033 63.200 -0.139 0.000 0.873 160 S HN 0.222 nan 8.310 nan 0.000 0.516 161 P HA -0.030 nan 4.420 nan 0.000 0.217 161 P C -0.368 176.801 177.300 -0.219 0.000 1.148 161 P CA 0.845 63.884 63.100 -0.103 0.000 0.828 161 P CB 0.079 31.777 31.700 -0.003 0.000 0.783 162 V N 1.419 121.186 119.914 -0.246 0.000 2.276 162 V HA 0.273 4.408 4.120 0.026 0.000 0.268 162 V C -2.145 173.702 176.094 -0.411 0.000 1.032 162 V CA -1.676 60.399 62.300 -0.376 0.000 0.810 162 V CB 1.014 32.822 31.823 -0.025 0.000 1.060 162 V HN 0.046 nan 8.190 nan 0.000 0.446 163 P HA 0.431 nan 4.420 nan 0.000 0.278 163 P C -0.262 176.985 177.300 -0.088 0.000 1.266 163 P CA -0.110 62.775 63.100 -0.358 0.000 0.807 163 P CB 1.314 32.721 31.700 -0.488 0.000 1.094 164 T N -2.841 111.735 114.554 0.037 0.000 2.855 164 T HA 0.694 5.060 4.350 0.026 0.000 0.281 164 T C 0.014 174.719 174.700 0.009 0.000 1.007 164 T CA -0.858 61.275 62.100 0.055 0.000 1.009 164 T CB 1.025 69.866 68.868 -0.046 0.000 0.983 164 T HN 0.513 nan 8.240 nan 0.000 0.455 165 A N 2.190 124.885 122.820 -0.208 0.000 2.407 165 A HA 0.357 4.692 4.320 0.026 0.000 0.248 165 A C 1.039 178.374 177.584 -0.415 0.000 1.082 165 A CA -0.558 51.071 52.037 -0.680 0.000 0.785 165 A CB -0.008 18.605 19.000 -0.644 0.000 1.020 165 A HN 0.964 nan 8.150 nan 0.000 0.489 166 D N 0.371 120.477 120.400 -0.490 0.000 2.305 166 D HA 0.286 4.941 4.640 0.026 0.000 0.206 166 D C 0.557 176.708 176.300 -0.249 0.000 0.974 166 D CA 1.603 55.333 54.000 -0.449 0.000 0.871 166 D CB 0.371 40.596 40.800 -0.959 0.000 0.947 166 D HN 0.693 nan 8.370 nan 0.000 0.516 167 A N -0.120 122.610 122.820 -0.151 0.000 2.594 167 A HA 0.503 4.838 4.320 0.026 0.000 0.295 167 A C -0.760 176.838 177.584 0.023 0.000 1.071 167 A CA -0.584 51.447 52.037 -0.009 0.000 0.685 167 A CB 1.549 20.620 19.000 0.118 0.000 1.285 167 A HN -0.124 nan 8.150 nan 0.000 0.405 168 T N 2.329 116.904 114.554 0.034 0.000 2.767 168 T HA 0.552 4.917 4.350 0.026 0.000 0.288 168 T C -0.222 174.498 174.700 0.033 0.000 0.963 168 T CA -0.021 62.106 62.100 0.046 0.000 1.019 168 T CB 0.122 69.016 68.868 0.043 0.000 0.923 168 T HN 0.422 nan 8.240 nan 0.000 0.468 169 L N 4.277 125.515 121.223 0.024 0.000 2.295 169 L HA 0.599 4.954 4.340 0.026 0.000 0.285 169 L C -0.248 176.594 176.870 -0.045 0.000 1.035 169 L CA -0.837 54.002 54.840 -0.000 0.000 0.806 169 L CB 1.108 43.167 42.059 -0.001 0.000 1.214 169 L HN 0.488 nan 8.230 nan 0.000 0.426 170 I N 3.660 124.214 120.570 -0.027 0.000 2.389 170 I HA 0.270 4.455 4.170 0.026 0.000 0.288 170 I C -0.135 175.963 176.117 -0.033 0.000 0.999 170 I CA -0.602 60.681 61.300 -0.028 0.000 1.129 170 I CB 1.426 39.438 38.000 0.020 0.000 1.288 170 I HN 0.648 nan 8.210 nan 0.000 0.444 171 N N 5.069 123.734 118.700 -0.059 0.000 2.710 171 N HA -0.215 4.540 4.740 0.026 0.000 0.249 171 N C 0.895 176.358 175.510 -0.079 0.000 1.059 171 N CA 1.447 54.458 53.050 -0.065 0.000 0.720 171 N CB -0.931 37.537 38.487 -0.033 0.000 0.983 171 N HN 1.160 nan 8.380 nan 0.000 0.544 172 G N -2.269 106.469 108.800 -0.103 0.000 2.176 172 G HA2 -0.289 3.686 3.960 0.026 0.000 0.253 172 G HA3 -0.289 3.686 3.960 0.026 0.000 0.253 172 G C -0.142 174.732 174.900 -0.043 0.000 0.979 172 G CA 0.467 45.494 45.100 -0.122 0.000 0.641 172 G HN 0.431 nan 8.290 nan 0.000 0.530 173 L N -0.430 120.779 121.223 -0.024 0.000 2.401 173 L HA 0.842 5.198 4.340 0.026 0.000 0.266 173 L C 0.503 177.385 176.870 0.021 0.000 0.991 173 L CA -0.401 54.441 54.840 0.004 0.000 0.818 173 L CB 2.296 44.365 42.059 0.018 0.000 1.321 173 L HN 0.506 nan 8.230 nan 0.000 0.413 174 G N 1.448 110.270 108.800 0.037 0.000 2.506 174 G HA2 0.500 4.475 3.960 0.026 0.000 0.292 174 G HA3 0.500 4.475 3.960 0.026 0.000 0.292 174 G C -1.938 173.005 174.900 0.071 0.000 1.425 174 G CA -0.873 44.259 45.100 0.054 0.000 0.788 174 G HN 0.412 nan 8.290 nan 0.000 0.490 175 R N -0.217 120.321 120.500 0.065 0.000 2.604 175 R HA 0.708 5.063 4.340 0.026 0.000 0.287 175 R C 0.351 176.687 176.300 0.059 0.000 0.970 175 R CA -0.509 55.632 56.100 0.068 0.000 0.946 175 R CB 1.898 32.229 30.300 0.051 0.000 1.127 175 R HN 0.725 nan 8.270 nan 0.000 0.473 176 S N 1.497 117.246 115.700 0.081 0.000 2.722 176 S HA 0.244 4.730 4.470 0.026 0.000 0.292 176 S C 1.419 176.032 174.600 0.021 0.000 1.135 176 S CA -0.933 57.295 58.200 0.046 0.000 1.003 176 S CB 0.761 64.024 63.200 0.105 0.000 1.067 176 S HN 0.749 nan 8.310 nan 0.000 0.546 177 I N -2.100 118.461 120.570 -0.015 0.000 2.700 177 I HA 0.010 4.196 4.170 0.026 0.000 0.261 177 I C 0.415 176.532 176.117 0.001 0.000 1.219 177 I CA 1.329 62.617 61.300 -0.021 0.000 1.463 177 I CB -0.384 37.588 38.000 -0.047 0.000 1.092 177 I HN 0.411 nan 8.210 nan 0.000 0.452 178 D N 1.296 121.710 120.400 0.023 0.000 2.369 178 D HA 0.075 4.731 4.640 0.026 0.000 0.211 178 D C 0.701 177.037 176.300 0.059 0.000 1.077 178 D CA 0.794 54.815 54.000 0.035 0.000 0.842 178 D CB 0.645 41.463 40.800 0.030 0.000 0.947 178 D HN 0.525 nan 8.370 nan 0.000 0.509 179 T N -1.434 113.163 114.554 0.071 0.000 3.630 179 T HA 0.309 4.674 4.350 0.026 0.000 0.238 179 T C 1.156 175.896 174.700 0.067 0.000 1.195 179 T CA -0.376 61.774 62.100 0.083 0.000 1.433 179 T CB -0.603 68.339 68.868 0.122 0.000 0.940 179 T HN -0.080 nan 8.240 nan 0.000 0.641 180 L N 0.543 121.796 121.223 0.050 0.000 2.551 180 L HA 0.175 4.530 4.340 0.026 0.000 0.228 180 L C 1.560 178.462 176.870 0.054 0.000 1.153 180 L CA 0.404 55.270 54.840 0.044 0.000 0.851 180 L CB -0.277 41.800 42.059 0.030 0.000 0.959 180 L HN 0.453 nan 8.230 nan 0.000 0.451 181 N N 0.180 118.913 118.700 0.056 0.000 2.203 181 N HA 0.172 4.928 4.740 0.026 0.000 0.207 181 N C 0.616 176.162 175.510 0.060 0.000 1.130 181 N CA 0.053 53.137 53.050 0.056 0.000 0.861 181 N CB 0.610 39.126 38.487 0.047 0.000 1.005 181 N HN 0.114 nan 8.380 nan 0.000 0.507 182 A N 0.765 123.625 122.820 0.067 0.000 2.448 182 A HA 0.020 4.356 4.320 0.026 0.000 0.239 182 A C 0.387 178.010 177.584 0.065 0.000 1.080 182 A CA -0.034 52.044 52.037 0.067 0.000 0.779 182 A CB 0.187 19.235 19.000 0.080 0.000 1.026 182 A HN 0.102 nan 8.150 nan 0.000 0.499 183 D N -0.199 120.234 120.400 0.056 0.000 2.443 183 D HA 0.332 4.988 4.640 0.026 0.000 0.239 183 D C -0.414 175.922 176.300 0.060 0.000 1.136 183 D CA 0.608 54.639 54.000 0.051 0.000 0.879 183 D CB 0.195 41.018 40.800 0.039 0.000 1.195 183 D HN 0.350 nan 8.370 nan 0.000 0.443 184 L N 1.811 123.072 121.223 0.064 0.000 2.342 184 L HA 0.598 4.953 4.340 0.026 0.000 0.271 184 L C 0.289 177.190 176.870 0.052 0.000 1.008 184 L CA -1.347 53.539 54.840 0.077 0.000 0.818 184 L CB 1.795 43.929 42.059 0.125 0.000 1.296 184 L HN 0.401 nan 8.230 nan 0.000 0.427 185 A N 2.350 125.198 122.820 0.047 0.000 2.477 185 A HA 0.523 4.858 4.320 0.026 0.000 0.246 185 A C -0.380 177.217 177.584 0.021 0.000 1.078 185 A CA -0.168 51.885 52.037 0.027 0.000 0.770 185 A CB 0.339 19.350 19.000 0.018 0.000 1.011 185 A HN 0.405 nan 8.150 nan 0.000 0.494 186 V N 3.738 123.655 119.914 0.005 0.000 2.448 186 V HA 0.367 4.503 4.120 0.026 0.000 0.295 186 V C -0.664 175.420 176.094 -0.017 0.000 1.025 186 V CA -0.235 62.058 62.300 -0.012 0.000 0.859 186 V CB 1.314 33.129 31.823 -0.014 0.000 0.988 186 V HN 0.698 nan 8.190 nan 0.000 0.431 187 I N 3.860 124.405 120.570 -0.041 0.000 2.339 187 I HA 0.443 4.628 4.170 0.026 0.000 0.290 187 I C 0.492 176.565 176.117 -0.073 0.000 0.994 187 I CA 0.335 61.608 61.300 -0.046 0.000 1.191 187 I CB 1.938 39.878 38.000 -0.099 0.000 1.343 187 I HN 0.583 nan 8.210 nan 0.000 0.458 188 T N 6.192 120.713 114.554 -0.057 0.000 2.829 188 T HA 0.709 5.075 4.350 0.026 0.000 0.282 188 T C -0.161 174.431 174.700 -0.178 0.000 0.990 188 T CA -0.617 61.433 62.100 -0.083 0.000 1.028 188 T CB 1.386 70.238 68.868 -0.027 0.000 0.951 188 T HN 0.423 nan 8.240 nan 0.000 0.460 189 V N 0.155 119.902 119.914 -0.278 0.000 3.040 189 V HA 0.833 4.968 4.120 0.026 0.000 0.312 189 V C -0.388 175.595 176.094 -0.184 0.000 1.115 189 V CA -0.932 61.115 62.300 -0.422 0.000 0.998 189 V CB 2.043 33.379 31.823 -0.813 0.000 1.042 189 V HN 0.791 nan 8.190 nan 0.000 0.433 190 T N 2.357 116.954 114.554 0.072 0.000 2.794 190 T HA 0.384 4.749 4.350 0.026 0.000 0.280 190 T C -0.152 174.623 174.700 0.124 0.000 0.987 190 T CA -0.432 61.728 62.100 0.101 0.000 0.993 190 T CB 1.146 70.093 68.868 0.132 0.000 0.939 190 T HN 0.914 nan 8.240 nan 0.000 0.449 191 K N 1.628 122.150 120.400 0.204 0.000 2.484 191 K HA 0.242 4.577 4.320 0.026 0.000 0.280 191 K C 1.315 178.030 176.600 0.191 0.000 1.013 191 K CA 1.231 57.702 56.287 0.307 0.000 1.029 191 K CB -0.181 32.534 32.500 0.358 0.000 0.902 191 K HN 0.945 nan 8.250 nan 0.000 0.481 192 G N 3.030 111.941 108.800 0.185 0.000 2.195 192 G HA2 -0.247 3.728 3.960 0.026 0.000 0.246 192 G HA3 -0.247 3.728 3.960 0.026 0.000 0.246 192 G C -0.165 174.782 174.900 0.078 0.000 0.984 192 G CA 0.123 45.293 45.100 0.116 0.000 0.633 192 G HN 0.581 nan 8.290 nan 0.000 0.525 193 K N 0.079 120.535 120.400 0.092 0.000 2.095 193 K HA 0.699 5.034 4.320 0.026 0.000 0.252 193 K C 0.218 176.799 176.600 -0.032 0.000 0.977 193 K CA -0.685 55.579 56.287 -0.038 0.000 0.900 193 K CB 1.046 33.457 32.500 -0.149 0.000 1.060 193 K HN 0.207 nan 8.250 nan 0.000 0.449 194 R N 1.417 121.780 120.500 -0.228 0.000 2.599 194 R HA 0.368 4.723 4.340 0.026 0.000 0.295 194 R C -1.289 174.814 176.300 -0.328 0.000 0.963 194 R CA -0.711 55.340 56.100 -0.082 0.000 0.883 194 R CB 1.070 31.377 30.300 0.012 0.000 1.171 194 R HN 0.464 nan 8.270 nan 0.000 0.450 195 Y N 0.655 120.907 120.300 -0.080 0.000 2.409 195 Y HA 0.375 4.940 4.550 0.026 0.000 0.343 195 Y C 0.115 175.706 175.900 -0.515 0.000 0.973 195 Y CA -0.969 56.903 58.100 -0.381 0.000 1.064 195 Y CB 1.906 39.935 38.460 -0.719 0.000 1.207 195 Y HN 0.300 nan 8.280 nan 0.000 0.452 196 R N 3.724 123.832 120.500 -0.654 0.000 2.230 196 R HA 0.385 4.740 4.340 0.026 0.000 0.337 196 R C -1.693 174.156 176.300 -0.752 0.000 1.063 196 R CA -0.337 55.276 56.100 -0.812 0.000 0.935 196 R CB -0.040 29.442 30.300 -1.364 0.000 1.121 196 R HN 0.517 nan 8.270 nan 0.000 0.486 197 F N 3.161 122.738 119.950 -0.621 0.000 2.394 197 F HA 0.383 4.925 4.527 0.026 0.000 0.340 197 F C 0.686 176.052 175.800 -0.722 0.000 1.105 197 F CA -0.393 57.168 58.000 -0.732 0.000 1.124 197 F CB 1.303 39.652 39.000 -1.086 0.000 1.145 197 F HN 0.267 nan 8.300 nan 0.000 0.505 198 R N 3.667 124.015 120.500 -0.253 0.000 2.275 198 R HA 0.437 4.792 4.340 0.026 0.000 0.326 198 R C -1.411 174.774 176.300 -0.191 0.000 0.973 198 R CA -0.940 55.026 56.100 -0.224 0.000 0.854 198 R CB 1.318 31.507 30.300 -0.185 0.000 1.156 198 R HN 0.433 nan 8.270 nan 0.000 0.487 199 L N 4.314 125.422 121.223 -0.191 0.000 2.264 199 L HA 0.368 4.723 4.340 0.026 0.000 0.289 199 L C -0.948 175.780 176.870 -0.237 0.000 1.044 199 L CA -0.386 54.322 54.840 -0.220 0.000 0.807 199 L CB 1.605 43.533 42.059 -0.219 0.000 1.192 199 L HN 0.291 nan 8.230 nan 0.000 0.425 200 V N 3.963 123.702 119.914 -0.291 0.000 2.444 200 V HA 0.408 4.543 4.120 0.026 0.000 0.294 200 V C 0.059 175.858 176.094 -0.492 0.000 1.022 200 V CA -0.613 61.446 62.300 -0.403 0.000 0.850 200 V CB 1.533 33.131 31.823 -0.374 0.000 0.992 200 V HN 0.791 nan 8.190 nan 0.000 0.426 201 S N 5.096 120.442 115.700 -0.589 0.000 2.416 201 S HA 0.432 4.918 4.470 0.026 0.000 0.287 201 S C 0.555 174.558 174.600 -0.995 0.000 1.139 201 S CA -0.557 57.297 58.200 -0.577 0.000 1.058 201 S CB 0.087 63.069 63.200 -0.363 0.000 0.967 201 S HN 0.629 nan 8.310 nan 0.000 0.495 202 L N 4.034 124.783 121.223 -0.791 0.000 2.653 202 L HA 0.239 4.594 4.340 0.026 0.000 0.232 202 L C 1.233 177.948 176.870 -0.258 0.000 1.169 202 L CA -0.277 54.051 54.840 -0.853 0.000 0.951 202 L CB -0.258 41.571 42.059 -0.384 0.000 1.181 202 L HN 0.546 nan 8.230 nan 0.000 0.460 203 S N -1.071 114.525 115.700 -0.174 0.000 2.562 203 S HA 0.004 4.490 4.470 0.026 0.000 0.281 203 S C 1.194 175.972 174.600 0.298 0.000 1.333 203 S CA -0.578 57.696 58.200 0.123 0.000 1.052 203 S CB 1.058 64.344 63.200 0.144 0.000 0.884 203 S HN 0.356 nan 8.310 nan 0.000 0.506 204 c N 3.219 121.991 118.600 0.286 0.000 2.563 204 c HA 0.197 4.782 4.570 0.026 0.000 0.268 204 c C 1.643 175.729 174.090 -0.007 0.000 1.365 204 c CA 0.365 56.709 56.329 0.025 0.000 1.754 204 c CB -0.904 41.385 42.510 -0.369 0.000 1.932 204 c HN 1.006 nan 8.230 nan 0.000 0.536 205 D N -1.296 119.195 120.400 0.152 0.000 2.474 205 D HA 0.077 4.732 4.640 0.026 0.000 0.108 205 D C -2.394 173.955 176.300 0.082 0.000 1.491 205 D CA 0.327 54.406 54.000 0.132 0.000 1.401 205 D CB -0.826 40.158 40.800 0.307 0.000 2.273 205 D HN 0.061 nan 8.370 nan 0.000 0.229 206 P HA 0.153 nan 4.420 nan 0.000 0.269 206 P C -0.300 176.854 177.300 -0.244 0.000 1.215 206 P CA -0.025 62.993 63.100 -0.136 0.000 0.780 206 P CB 0.454 32.003 31.700 -0.252 0.000 0.898 207 N N 1.584 120.089 118.700 -0.326 0.000 2.476 207 N HA 0.219 4.974 4.740 0.026 0.000 0.275 207 N C -0.856 174.270 175.510 -0.640 0.000 1.190 207 N CA -0.524 52.278 53.050 -0.414 0.000 0.977 207 N CB 0.713 38.830 38.487 -0.617 0.000 1.200 207 N HN 0.481 nan 8.380 nan 0.000 0.515 208 H N -1.126 117.818 119.070 -0.210 0.000 2.679 208 H HA 0.359 4.930 4.556 0.025 0.000 0.360 208 H C -0.878 174.393 175.328 -0.095 0.000 1.105 208 H CA -0.760 55.223 56.048 -0.109 0.000 1.196 208 H CB 2.067 31.810 29.762 -0.032 0.000 1.636 208 H HN 0.247 nan 8.280 nan 0.000 0.531 209 V N 3.932 123.876 119.914 0.051 0.000 2.368 209 V HA 0.110 4.246 4.120 0.026 0.000 0.266 209 V C -0.464 175.699 176.094 0.116 0.000 1.045 209 V CA -0.369 61.957 62.300 0.042 0.000 0.899 209 V CB -0.343 31.482 31.823 0.004 0.000 1.006 209 V HN 0.551 nan 8.190 nan 0.000 0.470 210 F N 5.520 125.438 119.950 -0.052 0.000 2.420 210 F HA 0.739 5.281 4.527 0.025 0.000 0.342 210 F C 0.395 176.113 175.800 -0.137 0.000 1.113 210 F CA 0.130 58.083 58.000 -0.078 0.000 1.059 210 F CB 1.467 40.408 39.000 -0.098 0.000 1.128 210 F HN 0.567 nan 8.300 nan 0.000 0.475 211 S N 5.672 120.902 115.700 -0.784 0.000 2.588 211 S HA 0.725 5.211 4.470 0.026 0.000 0.269 211 S C -1.399 172.770 174.600 -0.719 0.000 1.157 211 S CA -0.953 56.895 58.200 -0.586 0.000 0.824 211 S CB 1.470 64.491 63.200 -0.298 0.000 1.126 211 S HN 0.589 nan 8.310 nan 0.000 0.464 212 I N 1.665 121.972 120.570 -0.439 0.000 2.447 212 I HA 0.328 4.514 4.170 0.026 0.000 0.287 212 I C -1.090 174.968 176.117 -0.098 0.000 1.023 212 I CA -0.695 60.425 61.300 -0.299 0.000 1.083 212 I CB 1.785 39.608 38.000 -0.295 0.000 1.245 212 I HN 0.603 nan 8.210 nan 0.000 0.434 213 D N 4.961 125.356 120.400 -0.007 0.000 2.533 213 D HA 0.167 4.822 4.640 0.026 0.000 0.236 213 D C 1.248 177.669 176.300 0.200 0.000 1.137 213 D CA 1.527 55.587 54.000 0.101 0.000 0.867 213 D CB 0.840 41.750 40.800 0.183 0.000 1.170 213 D HN 0.926 nan 8.370 nan 0.000 0.474 214 G N 1.995 110.848 108.800 0.088 0.000 2.184 214 G HA2 -0.242 3.733 3.960 0.026 0.000 0.264 214 G HA3 -0.242 3.733 3.960 0.026 0.000 0.264 214 G C 0.177 174.904 174.900 -0.288 0.000 0.975 214 G CA 0.271 45.343 45.100 -0.046 0.000 0.642 214 G HN 0.714 nan 8.290 nan 0.000 0.536 215 H N -0.128 118.856 119.070 -0.144 0.000 2.637 215 H HA 0.585 5.157 4.556 0.026 0.000 0.363 215 H C -0.587 174.680 175.328 -0.102 0.000 1.131 215 H CA -0.220 55.753 56.048 -0.124 0.000 1.183 215 H CB 2.011 31.691 29.762 -0.138 0.000 1.637 215 H HN 0.158 nan 8.280 nan 0.000 0.531 216 S N 1.936 117.654 115.700 0.030 0.000 2.687 216 S HA 0.540 5.025 4.470 0.026 0.000 0.283 216 S C -0.123 174.487 174.600 0.018 0.000 1.170 216 S CA -0.805 57.392 58.200 -0.005 0.000 1.008 216 S CB 0.827 64.022 63.200 -0.009 0.000 1.026 216 S HN 0.312 nan 8.310 nan 0.000 0.541 217 L N 1.587 122.783 121.223 -0.045 0.000 2.381 217 L HA 0.455 4.810 4.340 0.026 0.000 0.274 217 L C -0.532 176.358 176.870 0.033 0.000 0.988 217 L CA -0.673 54.137 54.840 -0.050 0.000 0.824 217 L CB 1.881 43.667 42.059 -0.455 0.000 1.263 217 L HN 0.464 nan 8.230 nan 0.000 0.410 218 T N 2.521 117.165 114.554 0.150 0.000 2.811 218 T HA 0.298 4.663 4.350 0.026 0.000 0.309 218 T C 0.222 174.997 174.700 0.124 0.000 1.005 218 T CA -0.331 61.834 62.100 0.107 0.000 0.955 218 T CB 0.847 69.773 68.868 0.097 0.000 0.970 218 T HN 0.204 nan 8.240 nan 0.000 0.496 219 V N 5.901 125.861 119.914 0.077 0.000 2.521 219 V HA 0.209 4.345 4.120 0.026 0.000 0.286 219 V C 1.302 177.410 176.094 0.023 0.000 1.034 219 V CA 0.156 62.508 62.300 0.087 0.000 1.045 219 V CB 0.333 32.175 31.823 0.031 0.000 0.974 219 V HN 0.903 nan 8.190 nan 0.000 0.480 220 I N 0.749 121.306 120.570 -0.022 0.000 4.439 220 I HA 0.564 4.750 4.170 0.026 0.000 0.331 220 I C 0.434 176.522 176.117 -0.048 0.000 1.345 220 I CA 0.126 61.293 61.300 -0.222 0.000 1.193 220 I CB 0.628 38.239 38.000 -0.649 0.000 1.221 220 I HN 0.601 nan 8.210 nan 0.000 0.429 221 E N 2.031 122.260 120.200 0.047 0.000 2.352 221 E HA 0.727 5.092 4.350 0.026 0.000 0.280 221 E C -1.812 174.814 176.600 0.044 0.000 0.930 221 E CA -0.803 55.621 56.400 0.039 0.000 0.765 221 E CB 2.845 32.530 29.700 -0.025 0.000 1.219 221 E HN 0.273 nan 8.360 nan 0.000 0.434 222 A N 3.532 126.320 122.820 -0.053 0.000 2.343 222 A HA 0.505 4.840 4.320 0.026 0.000 0.308 222 A C -0.760 176.642 177.584 -0.303 0.000 1.092 222 A CA -0.468 51.410 52.037 -0.264 0.000 0.751 222 A CB 0.814 19.727 19.000 -0.145 0.000 1.203 222 A HN 0.757 nan 8.150 nan 0.000 0.452 223 D N 2.275 122.425 120.400 -0.417 0.000 2.704 223 D HA -0.227 4.429 4.640 0.026 0.000 0.232 223 D C 0.882 176.942 176.300 -0.401 0.000 1.183 223 D CA 2.540 56.320 54.000 -0.367 0.000 0.647 223 D CB -1.396 39.243 40.800 -0.267 0.000 1.013 223 D HN 1.831 nan 8.370 nan 0.000 0.415 224 S N -4.327 111.076 115.700 -0.496 0.000 3.084 224 S HA -0.279 4.207 4.470 0.026 0.000 0.277 224 S C 0.083 174.510 174.600 -0.287 0.000 1.295 224 S CA 0.876 58.724 58.200 -0.586 0.000 1.170 224 S CB -1.675 60.880 63.200 -1.076 0.000 1.412 224 S HN 0.545 nan 8.310 nan 0.000 0.669 225 V N 2.747 122.552 119.914 -0.181 0.000 2.417 225 V HA 0.509 4.645 4.120 0.026 0.000 0.291 225 V C 0.341 176.427 176.094 -0.013 0.000 1.024 225 V CA -0.909 61.347 62.300 -0.072 0.000 0.861 225 V CB 1.550 33.358 31.823 -0.025 0.000 0.985 225 V HN 0.463 nan 8.190 nan 0.000 0.436 226 N N 4.729 123.442 118.700 0.022 0.000 2.483 226 N HA 0.365 5.120 4.740 0.026 0.000 0.264 226 N C -0.588 175.010 175.510 0.147 0.000 1.197 226 N CA 0.107 53.226 53.050 0.116 0.000 0.927 226 N CB 0.924 39.444 38.487 0.055 0.000 1.065 226 N HN 0.531 nan 8.380 nan 0.000 0.461 227 L N 0.706 122.071 121.223 0.237 0.000 2.322 227 L HA 0.432 4.787 4.340 0.026 0.000 0.269 227 L C 0.860 177.871 176.870 0.234 0.000 1.012 227 L CA -1.069 53.881 54.840 0.183 0.000 0.815 227 L CB 1.443 43.585 42.059 0.138 0.000 1.295 227 L HN 0.355 nan 8.230 nan 0.000 0.438 228 K N 2.198 122.694 120.400 0.160 0.000 2.448 228 K HA 0.189 4.524 4.320 0.026 0.000 0.278 228 K C -2.362 174.309 176.600 0.117 0.000 1.009 228 K CA -1.192 55.185 56.287 0.150 0.000 0.995 228 K CB 0.793 33.355 32.500 0.102 0.000 0.917 228 K HN 0.184 nan 8.250 nan 0.000 0.481 229 P HA -0.015 nan 4.420 nan 0.000 0.265 229 P C -1.394 175.933 177.300 0.045 0.000 1.193 229 P CA 0.072 63.197 63.100 0.042 0.000 0.765 229 P CB 0.708 32.435 31.700 0.044 0.000 0.823 230 Q N 2.008 121.828 119.800 0.033 0.000 2.294 230 Q HA 0.323 4.679 4.340 0.026 0.000 0.264 230 Q C -1.169 174.839 176.000 0.013 0.000 0.992 230 Q CA -0.237 55.581 55.803 0.026 0.000 0.747 230 Q CB 0.699 29.454 28.738 0.027 0.000 1.262 230 Q HN 0.261 nan 8.270 nan 0.000 0.452 231 T N 3.331 117.893 114.554 0.013 0.000 2.869 231 T HA 0.573 4.939 4.350 0.026 0.000 0.295 231 T C -0.211 174.478 174.700 -0.019 0.000 0.987 231 T CA -0.041 62.062 62.100 0.005 0.000 1.109 231 T CB 0.515 69.391 68.868 0.014 0.000 0.932 231 T HN 0.560 nan 8.240 nan 0.000 0.518 232 V N 0.539 120.427 119.914 -0.043 0.000 3.159 232 V HA 0.695 4.830 4.120 0.026 0.000 0.308 232 V C -0.328 175.717 176.094 -0.081 0.000 1.190 232 V CA -1.031 61.229 62.300 -0.067 0.000 1.037 232 V CB 2.409 34.171 31.823 -0.101 0.000 1.060 232 V HN 0.730 nan 8.190 nan 0.000 0.437 233 D N 0.339 120.690 120.400 -0.080 0.000 2.433 233 D HA 0.293 4.949 4.640 0.026 0.000 0.211 233 D C 0.431 176.665 176.300 -0.111 0.000 1.114 233 D CA 0.757 54.703 54.000 -0.090 0.000 0.837 233 D CB 0.408 41.169 40.800 -0.065 0.000 0.984 233 D HN 1.168 nan 8.370 nan 0.000 0.505 234 S N -0.745 114.890 115.700 -0.108 0.000 2.547 234 S HA 0.658 5.143 4.470 0.026 0.000 0.270 234 S C -1.243 173.294 174.600 -0.104 0.000 1.150 234 S CA -1.031 57.109 58.200 -0.100 0.000 0.850 234 S CB 1.169 64.325 63.200 -0.074 0.000 1.118 234 S HN 0.097 nan 8.310 nan 0.000 0.461 235 I N 1.506 122.033 120.570 -0.073 0.000 2.478 235 I HA 0.382 4.568 4.170 0.026 0.000 0.287 235 I C -0.437 175.642 176.117 -0.063 0.000 1.042 235 I CA -0.370 60.846 61.300 -0.141 0.000 1.067 235 I CB 2.108 39.951 38.000 -0.261 0.000 1.233 235 I HN 0.769 nan 8.210 nan 0.000 0.431 236 Q N 6.962 126.717 119.800 -0.074 0.000 2.337 236 Q HA 0.481 4.836 4.340 0.026 0.000 0.255 236 Q C -1.165 174.763 176.000 -0.120 0.000 0.997 236 Q CA -0.270 55.460 55.803 -0.122 0.000 0.925 236 Q CB 1.374 30.025 28.738 -0.145 0.000 1.212 236 Q HN 0.655 nan 8.270 nan 0.000 0.436 237 I N 4.465 124.958 120.570 -0.128 0.000 2.378 237 I HA 0.385 4.570 4.170 0.026 0.000 0.291 237 I C -1.255 174.756 176.117 -0.177 0.000 0.992 237 I CA -0.815 60.499 61.300 0.023 0.000 1.154 237 I CB 0.635 38.700 38.000 0.109 0.000 1.315 237 I HN 0.587 nan 8.210 nan 0.000 0.448 238 F N 5.581 125.571 119.950 0.067 0.000 2.380 238 F HA 0.552 5.094 4.527 0.024 0.000 0.321 238 F C 1.070 176.842 175.800 -0.047 0.000 1.103 238 F CA -0.451 57.564 58.000 0.025 0.000 1.067 238 F CB 0.898 39.929 39.000 0.051 0.000 1.265 238 F HN 0.490 nan 8.300 nan 0.000 0.517 239 A N 1.632 124.533 122.820 0.135 0.000 2.580 239 A HA 0.332 4.668 4.320 0.026 0.000 0.244 239 A C 0.973 178.440 177.584 -0.196 0.000 1.045 239 A CA 0.555 52.580 52.037 -0.019 0.000 0.761 239 A CB -1.055 17.995 19.000 0.085 0.000 0.962 239 A HN 1.893 nan 8.150 nan 0.000 0.512 240 A N 1.469 124.011 122.820 -0.463 0.000 3.553 240 A HA -0.181 4.154 4.320 0.026 0.000 0.261 240 A C 0.599 177.882 177.584 -0.502 0.000 1.096 240 A CA 1.497 53.168 52.037 -0.610 0.000 1.308 240 A CB -2.379 16.059 19.000 -0.935 0.000 1.084 240 A HN 0.961 nan 8.150 nan 0.000 0.914 241 Q N -0.870 118.726 119.800 -0.341 0.000 2.368 241 Q HA 0.604 4.959 4.340 0.026 0.000 0.237 241 Q C 0.002 175.754 176.000 -0.412 0.000 0.987 241 Q CA -0.063 55.558 55.803 -0.304 0.000 0.896 241 Q CB 0.430 29.070 28.738 -0.163 0.000 1.241 241 Q HN 0.517 nan 8.270 nan 0.000 0.485 242 R N 0.419 120.640 120.500 -0.465 0.000 2.744 242 R HA 0.537 4.892 4.340 0.026 0.000 0.279 242 R C -1.637 174.333 176.300 -0.550 0.000 0.977 242 R CA -0.519 55.327 56.100 -0.423 0.000 0.906 242 R CB 1.282 31.356 30.300 -0.376 0.000 1.197 242 R HN 0.475 nan 8.270 nan 0.000 0.463 243 Y N -0.721 119.487 120.300 -0.153 0.000 2.492 243 Y HA 0.501 5.066 4.550 0.026 0.000 0.346 243 Y C -0.250 175.591 175.900 -0.098 0.000 0.997 243 Y CA -0.663 57.386 58.100 -0.086 0.000 1.025 243 Y CB 2.761 41.213 38.460 -0.014 0.000 1.263 243 Y HN 0.463 nan 8.280 nan 0.000 0.454 244 S N 3.588 119.329 115.700 0.069 0.000 2.489 244 S HA 0.721 5.206 4.470 0.026 0.000 0.291 244 S C -1.205 173.434 174.600 0.065 0.000 1.151 244 S CA -0.626 57.541 58.200 -0.056 0.000 1.082 244 S CB 0.216 63.342 63.200 -0.124 0.000 1.019 244 S HN 0.455 nan 8.310 nan 0.000 0.492 245 F N 0.041 119.988 119.950 -0.006 0.000 2.588 245 F HA 0.788 5.330 4.527 0.025 0.000 0.310 245 F C -1.016 174.809 175.800 0.042 0.000 1.082 245 F CA -1.365 56.643 58.000 0.013 0.000 0.929 245 F CB 0.481 39.499 39.000 0.029 0.000 1.254 245 F HN 0.198 nan 8.300 nan 0.000 0.455 246 V N 3.941 123.994 119.914 0.231 0.000 2.465 246 V HA 0.381 4.516 4.120 0.026 0.000 0.279 246 V C -0.345 175.977 176.094 0.381 0.000 1.045 246 V CA -0.552 61.863 62.300 0.192 0.000 0.938 246 V CB 1.323 33.245 31.823 0.164 0.000 0.986 246 V HN 0.844 nan 8.190 nan 0.000 0.467 247 L N 5.511 126.981 121.223 0.412 0.000 2.325 247 L HA 0.542 4.897 4.340 0.026 0.000 0.281 247 L C -0.050 177.038 176.870 0.363 0.000 1.004 247 L CA -0.180 54.935 54.840 0.457 0.000 0.823 247 L CB 1.148 43.579 42.059 0.621 0.000 1.236 247 L HN 0.645 nan 8.230 nan 0.000 0.415 248 N N 4.216 123.090 118.700 0.291 0.000 2.414 248 N HA 0.379 5.134 4.740 0.026 0.000 0.256 248 N C -0.261 175.426 175.510 0.295 0.000 1.029 248 N CA -0.368 52.830 53.050 0.246 0.000 0.948 248 N CB 1.411 39.999 38.487 0.168 0.000 1.102 248 N HN 0.710 nan 8.380 nan 0.000 0.496 249 A N 2.477 125.479 122.820 0.303 0.000 3.037 249 A HA 0.050 4.385 4.320 0.026 0.000 0.272 249 A C 0.184 178.001 177.584 0.389 0.000 1.723 249 A CA -0.349 51.867 52.037 0.298 0.000 1.413 249 A CB -0.400 18.631 19.000 0.052 0.000 1.112 249 A HN 0.777 nan 8.150 nan 0.000 0.606 250 D N -0.286 120.311 120.400 0.330 0.000 2.469 250 D HA 0.051 4.706 4.640 0.026 0.000 0.215 250 D C 0.304 176.663 176.300 0.099 0.000 1.154 250 D CA -0.011 54.108 54.000 0.198 0.000 0.832 250 D CB 0.101 40.968 40.800 0.112 0.000 1.008 250 D HN 0.314 nan 8.370 nan 0.000 0.506 251 Q N 0.636 120.474 119.800 0.065 0.000 2.222 251 Q HA 0.228 4.584 4.340 0.026 0.000 0.211 251 Q C -0.113 175.767 176.000 -0.200 0.000 1.013 251 Q CA -0.272 55.439 55.803 -0.154 0.000 0.993 251 Q CB 0.382 28.862 28.738 -0.429 0.000 1.151 251 Q HN 0.127 nan 8.270 nan 0.000 0.544 252 D N 0.192 120.504 120.400 -0.147 0.000 2.443 252 D HA 0.041 4.697 4.640 0.026 0.000 0.239 252 D C -0.335 175.758 176.300 -0.346 0.000 1.136 252 D CA -0.003 53.905 54.000 -0.152 0.000 0.879 252 D CB 0.555 41.308 40.800 -0.078 0.000 1.195 252 D HN 0.063 nan 8.370 nan 0.000 0.443 253 V N 2.070 121.828 119.914 -0.259 0.000 2.475 253 V HA 0.419 4.554 4.120 0.026 0.000 0.292 253 V C 1.176 177.166 176.094 -0.173 0.000 1.003 253 V CA 1.043 63.217 62.300 -0.210 0.000 1.120 253 V CB 0.127 31.954 31.823 0.008 0.000 0.937 253 V HN 0.765 nan 8.190 nan 0.000 0.476 254 G N 5.062 113.773 108.800 -0.147 0.000 2.341 254 G HA2 0.253 4.228 3.960 0.026 0.000 0.299 254 G HA3 0.253 4.228 3.960 0.026 0.000 0.299 254 G C -1.509 173.290 174.900 -0.168 0.000 1.274 254 G CA -0.835 44.132 45.100 -0.223 0.000 0.853 254 G HN 0.459 nan 8.290 nan 0.000 0.493 255 N N -0.018 118.444 118.700 -0.396 0.000 2.372 255 N HA 0.570 5.326 4.740 0.026 0.000 0.291 255 N C -1.707 173.460 175.510 -0.573 0.000 1.024 255 N CA -0.102 52.751 53.050 -0.329 0.000 0.873 255 N CB 1.997 40.282 38.487 -0.336 0.000 1.206 255 N HN 0.414 nan 8.380 nan 0.000 0.486 256 Y N -0.251 119.938 120.300 -0.185 0.000 2.425 256 Y HA 0.315 4.880 4.550 0.025 0.000 0.344 256 Y C -0.288 175.494 175.900 -0.197 0.000 0.969 256 Y CA -0.995 57.011 58.100 -0.156 0.000 1.052 256 Y CB 1.441 39.910 38.460 0.014 0.000 1.215 256 Y HN 0.422 nan 8.280 nan 0.000 0.451 257 W N 4.255 125.557 121.300 0.002 0.000 2.253 257 W HA 0.413 5.088 4.660 0.026 0.000 0.322 257 W C -0.462 175.946 176.519 -0.185 0.000 1.342 257 W CA -0.175 57.102 57.345 -0.113 0.000 1.218 257 W CB 0.414 29.760 29.460 -0.191 0.000 1.205 257 W HN 0.260 nan 8.180 nan 0.000 0.551 258 I N 4.653 125.281 120.570 0.096 0.000 2.331 258 I HA 0.346 4.532 4.170 0.026 0.000 0.292 258 I C 0.205 176.205 176.117 -0.194 0.000 0.998 258 I CA -0.703 60.499 61.300 -0.163 0.000 1.267 258 I CB 0.787 38.709 38.000 -0.129 0.000 1.386 258 I HN 0.320 nan 8.210 nan 0.000 0.476 259 R N 4.933 125.184 120.500 -0.415 0.000 2.670 259 R HA 0.800 5.155 4.340 0.026 0.000 0.289 259 R C -0.943 175.259 176.300 -0.164 0.000 0.965 259 R CA -0.840 55.069 56.100 -0.319 0.000 0.899 259 R CB 2.185 32.112 30.300 -0.622 0.000 1.173 259 R HN 0.696 nan 8.270 nan 0.000 0.456 260 A N 3.350 126.258 122.820 0.145 0.000 2.815 260 A HA 0.262 4.598 4.320 0.026 0.000 0.318 260 A C -1.271 176.477 177.584 0.275 0.000 1.186 260 A CA -0.569 51.590 52.037 0.203 0.000 0.754 260 A CB 0.539 19.618 19.000 0.131 0.000 1.151 260 A HN 0.540 nan 8.150 nan 0.000 0.452 261 L N 4.933 126.299 121.223 0.238 0.000 2.315 261 L HA 0.471 4.826 4.340 0.026 0.000 0.283 261 L C -2.094 174.762 176.870 -0.023 0.000 1.089 261 L CA -1.376 53.480 54.840 0.027 0.000 0.833 261 L CB 0.614 42.669 42.059 -0.008 0.000 1.170 261 L HN 0.388 nan 8.230 nan 0.000 0.442 262 P HA 0.158 nan 4.420 nan 0.000 0.276 262 P C -0.429 176.721 177.300 -0.249 0.000 1.244 262 P CA -0.321 62.605 63.100 -0.290 0.000 0.801 262 P CB 0.600 32.171 31.700 -0.215 0.000 1.006 263 N N -0.435 118.099 118.700 -0.276 0.000 2.461 263 N HA -0.027 4.729 4.740 0.026 0.000 0.188 263 N C 0.074 175.492 175.510 -0.153 0.000 1.134 263 N CA 0.019 52.957 53.050 -0.187 0.000 0.878 263 N CB -0.218 38.169 38.487 -0.166 0.000 0.972 263 N HN 0.438 nan 8.380 nan 0.000 0.456 264 S N -2.814 112.792 115.700 -0.157 0.000 2.671 264 S HA 0.752 5.237 4.470 0.026 0.000 0.277 264 S C 0.370 174.893 174.600 -0.128 0.000 1.165 264 S CA -0.173 57.953 58.200 -0.124 0.000 0.822 264 S CB 1.893 65.038 63.200 -0.091 0.000 1.150 264 S HN 0.585 nan 8.310 nan 0.000 0.479 265 G N 0.765 109.496 108.800 -0.116 0.000 2.512 265 G HA2 -0.151 3.824 3.960 0.026 0.000 0.254 265 G HA3 -0.151 3.824 3.960 0.026 0.000 0.254 265 G C -0.157 174.660 174.900 -0.138 0.000 1.199 265 G CA -0.114 44.910 45.100 -0.128 0.000 0.941 265 G HN 1.590 nan 8.290 nan 0.000 0.569 266 T N 2.298 116.762 114.554 -0.149 0.000 2.743 266 T HA 0.487 4.852 4.350 0.026 0.000 0.290 266 T C 1.046 175.616 174.700 -0.216 0.000 0.908 266 T CA 0.149 62.150 62.100 -0.164 0.000 1.092 266 T CB 0.398 69.174 68.868 -0.153 0.000 0.882 266 T HN 0.519 nan 8.240 nan 0.000 0.531 267 R N 3.664 124.031 120.500 -0.221 0.000 3.534 267 R HA 0.240 4.595 4.340 0.026 0.000 0.312 267 R C 0.033 176.120 176.300 -0.355 0.000 1.419 267 R CA -0.460 55.475 56.100 -0.275 0.000 1.262 267 R CB -0.277 29.904 30.300 -0.198 0.000 1.437 267 R HN 0.733 nan 8.270 nan 0.000 0.627 268 N N -1.610 116.814 118.700 -0.461 0.000 3.243 268 N HA 0.247 5.003 4.740 0.026 0.000 0.280 268 N C -0.584 174.482 175.510 -0.740 0.000 1.545 268 N CA -0.871 51.865 53.050 -0.522 0.000 0.854 268 N CB 0.308 38.649 38.487 -0.243 0.000 1.612 268 N HN -0.141 nan 8.380 nan 0.000 0.577 269 F N -1.091 118.757 119.950 -0.169 0.000 2.698 269 F HA 0.396 4.939 4.527 0.026 0.000 0.304 269 F C -0.433 175.215 175.800 -0.253 0.000 1.108 269 F CA -0.548 57.303 58.000 -0.248 0.000 1.263 269 F CB 0.052 38.847 39.000 -0.340 0.000 1.013 269 F HN 0.211 nan 8.300 nan 0.000 0.532 270 D N 0.823 121.182 120.400 -0.068 0.000 2.487 270 D HA 0.287 4.942 4.640 0.026 0.000 0.243 270 D C 1.456 177.717 176.300 -0.065 0.000 1.154 270 D CA 1.350 55.312 54.000 -0.062 0.000 0.876 270 D CB 0.820 41.585 40.800 -0.058 0.000 1.161 270 D HN 0.477 nan 8.370 nan 0.000 0.478 271 G N 1.977 110.745 108.800 -0.053 0.000 2.155 271 G HA2 -0.178 3.797 3.960 0.026 0.000 0.257 271 G HA3 -0.178 3.797 3.960 0.026 0.000 0.257 271 G C 1.009 175.885 174.900 -0.040 0.000 0.983 271 G CA 0.401 45.487 45.100 -0.024 0.000 0.676 271 G HN 1.372 nan 8.290 nan 0.000 0.528 272 G N -2.333 106.374 108.800 -0.155 0.000 2.132 272 G HA2 0.071 4.046 3.960 0.026 0.000 0.234 272 G HA3 0.071 4.046 3.960 0.026 0.000 0.234 272 G C 0.908 175.734 174.900 -0.124 0.000 0.989 272 G CA 0.979 45.921 45.100 -0.263 0.000 0.676 272 G HN 2.027 nan 8.290 nan 0.000 0.522 273 V N 0.596 120.463 119.914 -0.078 0.000 2.963 273 V HA 0.415 4.550 4.120 0.026 0.000 0.306 273 V C 1.310 177.403 176.094 -0.001 0.000 1.077 273 V CA 1.096 63.372 62.300 -0.040 0.000 1.124 273 V CB 0.494 32.276 31.823 -0.070 0.000 0.987 273 V HN 0.745 nan 8.190 nan 0.000 0.487 274 N N 2.771 121.482 118.700 0.018 0.000 2.725 274 N HA -0.149 4.606 4.740 0.026 0.000 0.249 274 N C -0.273 175.333 175.510 0.159 0.000 1.103 274 N CA 1.323 54.422 53.050 0.081 0.000 0.707 274 N CB -1.283 37.203 38.487 -0.002 0.000 1.043 274 N HN 0.715 nan 8.380 nan 0.000 0.553 275 S N -1.237 114.507 115.700 0.074 0.000 2.595 275 S HA 0.935 5.420 4.470 0.026 0.000 0.281 275 S C -0.119 174.564 174.600 0.138 0.000 1.117 275 S CA -0.171 58.061 58.200 0.054 0.000 0.873 275 S CB 2.931 66.035 63.200 -0.161 0.000 1.108 275 S HN 0.504 nan 8.310 nan 0.000 0.477 276 A N 0.974 123.908 122.820 0.191 0.000 2.524 276 A HA 0.921 5.257 4.320 0.026 0.000 0.289 276 A C -1.693 176.012 177.584 0.202 0.000 1.248 276 A CA -0.739 51.404 52.037 0.177 0.000 0.712 276 A CB 0.815 19.862 19.000 0.079 0.000 1.312 276 A HN 0.706 nan 8.150 nan 0.000 0.441 277 I N 0.511 121.118 120.570 0.062 0.000 2.436 277 I HA 0.356 4.541 4.170 0.026 0.000 0.289 277 I C -1.162 174.919 176.117 -0.061 0.000 1.010 277 I CA -0.613 60.657 61.300 -0.049 0.000 1.098 277 I CB 1.802 39.729 38.000 -0.122 0.000 1.266 277 I HN 0.497 nan 8.210 nan 0.000 0.434 278 L N 7.466 128.654 121.223 -0.060 0.000 2.257 278 L HA 0.457 4.812 4.340 0.026 0.000 0.290 278 L C -0.168 176.732 176.870 0.051 0.000 1.044 278 L CA 0.078 54.884 54.840 -0.057 0.000 0.810 278 L CB 0.519 42.511 42.059 -0.112 0.000 1.193 278 L HN 0.568 nan 8.230 nan 0.000 0.425 279 R N 3.951 124.460 120.500 0.015 0.000 2.393 279 R HA 0.365 4.720 4.340 0.026 0.000 0.315 279 R C -1.402 174.963 176.300 0.109 0.000 0.952 279 R CA -0.622 55.527 56.100 0.081 0.000 0.842 279 R CB 0.783 31.087 30.300 0.007 0.000 1.163 279 R HN 0.507 nan 8.270 nan 0.000 0.450 280 Y N 2.147 122.478 120.300 0.053 0.000 2.346 280 Y HA 0.044 4.609 4.550 0.026 0.000 0.330 280 Y C 0.362 176.286 175.900 0.040 0.000 1.178 280 Y CA 0.232 58.372 58.100 0.066 0.000 1.331 280 Y CB 0.652 39.185 38.460 0.121 0.000 1.253 280 Y HN 0.546 nan 8.280 nan 0.000 0.529 281 D N 1.842 122.329 120.400 0.145 0.000 2.531 281 D HA 0.228 4.883 4.640 0.026 0.000 0.239 281 D C 1.150 177.522 176.300 0.120 0.000 1.144 281 D CA 1.782 55.844 54.000 0.103 0.000 0.869 281 D CB 0.675 41.525 40.800 0.083 0.000 1.160 281 D HN 0.847 nan 8.370 nan 0.000 0.484 282 G N 1.217 110.064 108.800 0.078 0.000 2.213 282 G HA2 -0.171 3.804 3.960 0.026 0.000 0.236 282 G HA3 -0.171 3.804 3.960 0.026 0.000 0.236 282 G C 0.526 175.452 174.900 0.043 0.000 0.991 282 G CA 0.189 45.324 45.100 0.058 0.000 0.629 282 G HN 0.860 nan 8.290 nan 0.000 0.517 283 A N 0.500 123.354 122.820 0.057 0.000 2.386 283 A HA 0.839 5.174 4.320 0.026 0.000 0.248 283 A C 1.071 178.649 177.584 -0.009 0.000 1.082 283 A CA 0.995 53.042 52.037 0.017 0.000 0.789 283 A CB 0.389 19.407 19.000 0.030 0.000 1.025 283 A HN 2.119 nan 8.150 nan 0.000 0.490 284 A N 2.051 124.849 122.820 -0.037 0.000 2.498 284 A HA 0.498 4.833 4.320 0.026 0.000 0.239 284 A C -2.150 175.405 177.584 -0.048 0.000 1.068 284 A CA -0.968 51.044 52.037 -0.041 0.000 0.766 284 A CB -0.509 18.459 19.000 -0.053 0.000 1.003 284 A HN 0.538 nan 8.150 nan 0.000 0.497 285 P HA 0.240 nan 4.420 nan 0.000 0.225 285 P C -0.530 176.739 177.300 -0.052 0.000 1.768 285 P CA 0.191 63.268 63.100 -0.038 0.000 0.943 285 P CB -0.588 31.099 31.700 -0.022 0.000 1.936 286 V N -2.925 116.941 119.914 -0.081 0.000 3.126 286 V HA 0.529 4.664 4.120 0.026 0.000 0.314 286 V C 0.053 176.049 176.094 -0.162 0.000 1.138 286 V CA -1.494 60.749 62.300 -0.096 0.000 1.034 286 V CB 1.967 33.736 31.823 -0.089 0.000 1.075 286 V HN -0.052 nan 8.190 nan 0.000 0.442 287 E N 1.882 121.982 120.200 -0.166 0.000 2.383 287 E HA 0.321 4.686 4.350 0.026 0.000 0.264 287 E C -2.417 173.895 176.600 -0.481 0.000 1.050 287 E CA -1.365 54.846 56.400 -0.314 0.000 0.896 287 E CB 0.563 30.194 29.700 -0.115 0.000 0.982 287 E HN 0.609 nan 8.360 nan 0.000 0.424 288 P HA -0.025 nan 4.420 nan 0.000 0.269 288 P C 0.054 177.020 177.300 -0.556 0.000 1.215 288 P CA 0.119 62.661 63.100 -0.929 0.000 0.780 288 P CB 0.544 31.319 31.700 -1.540 0.000 0.898 289 T N -4.112 110.268 114.554 -0.290 0.000 3.200 289 T HA 0.147 4.513 4.350 0.026 0.000 0.284 289 T C 0.434 175.140 174.700 0.009 0.000 1.009 289 T CA -0.398 61.683 62.100 -0.032 0.000 0.907 289 T CB -1.057 67.782 68.868 -0.048 0.000 1.120 289 T HN 0.446 nan 8.240 nan 0.000 0.534 290 T N 0.488 115.020 114.554 -0.038 0.000 2.860 290 T HA 0.533 4.898 4.350 0.026 0.000 0.299 290 T C 0.084 174.877 174.700 0.155 0.000 1.045 290 T CA -0.484 61.635 62.100 0.030 0.000 1.071 290 T CB 1.055 69.927 68.868 0.008 0.000 0.985 290 T HN 0.142 nan 8.240 nan 0.000 0.537 291 S N 0.837 116.585 115.700 0.080 0.000 2.578 291 S HA 0.365 4.850 4.470 0.026 0.000 0.301 291 S C -0.378 174.232 174.600 0.016 0.000 1.091 291 S CA -0.832 57.396 58.200 0.047 0.000 1.032 291 S CB 1.536 64.749 63.200 0.022 0.000 1.064 291 S HN 0.824 nan 8.310 nan 0.000 0.508 292 Q N 1.841 121.620 119.800 -0.036 0.000 2.286 292 Q HA 0.345 4.700 4.340 0.026 0.000 0.257 292 Q C -0.340 175.638 176.000 -0.035 0.000 0.941 292 Q CA -0.359 55.403 55.803 -0.068 0.000 0.912 292 Q CB 0.586 29.242 28.738 -0.137 0.000 1.192 292 Q HN 0.773 nan 8.270 nan 0.000 0.410 293 T N 1.338 115.873 114.554 -0.033 0.000 2.929 293 T HA 0.592 4.957 4.350 0.026 0.000 0.284 293 T C -2.361 172.323 174.700 -0.027 0.000 1.014 293 T CA -1.847 60.239 62.100 -0.023 0.000 1.051 293 T CB 1.083 69.939 68.868 -0.019 0.000 1.028 293 T HN 0.433 nan 8.240 nan 0.000 0.485 294 P HA 0.194 nan 4.420 nan 0.000 0.265 294 P C -0.286 177.000 177.300 -0.024 0.000 1.193 294 P CA -0.185 62.904 63.100 -0.017 0.000 0.765 294 P CB 0.364 32.057 31.700 -0.011 0.000 0.823 295 S N 1.437 117.122 115.700 -0.025 0.000 2.443 295 S HA 0.149 4.635 4.470 0.026 0.000 0.284 295 S C 1.157 175.743 174.600 -0.023 0.000 1.206 295 S CA 0.117 58.298 58.200 -0.031 0.000 1.074 295 S CB -0.520 62.659 63.200 -0.035 0.000 0.963 295 S HN 0.594 nan 8.310 nan 0.000 0.501 296 T N 1.460 116.000 114.554 -0.023 0.000 3.054 296 T HA 0.254 4.619 4.350 0.026 0.000 0.255 296 T C 0.477 175.166 174.700 -0.017 0.000 1.035 296 T CA -0.212 61.878 62.100 -0.017 0.000 0.941 296 T CB -0.187 68.672 68.868 -0.015 0.000 1.026 296 T HN 0.499 nan 8.240 nan 0.000 0.533 297 N N 2.508 121.193 118.700 -0.024 0.000 2.672 297 N HA 0.338 5.094 4.740 0.026 0.000 0.295 297 N C -3.119 172.370 175.510 -0.035 0.000 1.924 297 N CA -1.881 51.154 53.050 -0.025 0.000 0.851 297 N CB 1.256 39.727 38.487 -0.025 0.000 1.281 297 N HN 0.200 nan 8.380 nan 0.000 0.494 298 P HA 0.066 nan 4.420 nan 0.000 0.272 298 P C 0.223 177.498 177.300 -0.041 0.000 1.230 298 P CA -0.486 62.590 63.100 -0.040 0.000 0.788 298 P CB 1.354 33.040 31.700 -0.023 0.000 0.949 299 L N 2.334 123.516 121.223 -0.069 0.000 2.540 299 L HA 0.089 4.445 4.340 0.026 0.000 0.276 299 L C -0.620 176.243 176.870 -0.013 0.000 1.212 299 L CA 0.221 55.019 54.840 -0.071 0.000 0.893 299 L CB 0.243 42.200 42.059 -0.169 0.000 1.138 299 L HN 0.067 nan 8.230 nan 0.000 0.491 300 V N 5.976 125.895 119.914 0.009 0.000 2.407 300 V HA 0.139 4.274 4.120 0.026 0.000 0.291 300 V C 0.802 176.928 176.094 0.053 0.000 1.018 300 V CA -0.470 61.850 62.300 0.034 0.000 0.842 300 V CB 1.325 33.162 31.823 0.022 0.000 0.996 300 V HN 0.941 nan 8.190 nan 0.000 0.426 301 E N 3.088 123.336 120.200 0.080 0.000 2.110 301 E HA -0.200 4.166 4.350 0.026 0.000 0.193 301 E C 2.016 178.654 176.600 0.062 0.000 0.988 301 E CA 1.779 58.238 56.400 0.099 0.000 0.804 301 E CB 0.224 29.995 29.700 0.119 0.000 0.745 301 E HN 0.868 nan 8.360 nan 0.000 0.458 302 S N -0.224 115.495 115.700 0.032 0.000 2.474 302 S HA -0.003 4.482 4.470 0.026 0.000 0.235 302 S C 1.870 176.480 174.600 0.017 0.000 0.997 302 S CA 0.720 58.924 58.200 0.007 0.000 0.949 302 S CB 0.188 63.376 63.200 -0.021 0.000 0.766 302 S HN 0.347 nan 8.310 nan 0.000 0.517 303 A N 0.809 123.647 122.820 0.029 0.000 2.178 303 A HA 0.478 4.813 4.320 0.026 0.000 0.211 303 A C 0.857 178.469 177.584 0.046 0.000 1.157 303 A CA -0.226 51.830 52.037 0.032 0.000 0.780 303 A CB -0.293 18.723 19.000 0.026 0.000 0.828 303 A HN 0.530 nan 8.150 nan 0.000 0.476 304 L N -0.030 121.230 121.223 0.062 0.000 2.417 304 L HA 0.414 4.770 4.340 0.026 0.000 0.268 304 L C 0.498 177.419 176.870 0.085 0.000 1.158 304 L CA -0.078 54.811 54.840 0.082 0.000 0.819 304 L CB 1.215 43.342 42.059 0.114 0.000 1.112 304 L HN 0.162 nan 8.230 nan 0.000 0.458 305 T N -0.038 114.573 114.554 0.094 0.000 2.883 305 T HA 0.413 4.778 4.350 0.026 0.000 0.301 305 T C -0.372 174.398 174.700 0.116 0.000 1.158 305 T CA -0.526 61.636 62.100 0.104 0.000 1.007 305 T CB 1.565 70.486 68.868 0.088 0.000 1.186 305 T HN 0.760 nan 8.240 nan 0.000 0.499 306 T N 1.946 116.576 114.554 0.128 0.000 2.860 306 T HA 0.288 4.653 4.350 0.026 0.000 0.299 306 T C 1.494 176.242 174.700 0.080 0.000 1.045 306 T CA -0.601 61.561 62.100 0.103 0.000 1.071 306 T CB 0.659 69.573 68.868 0.076 0.000 0.985 306 T HN 0.457 nan 8.240 nan 0.000 0.537 307 L N 1.057 122.322 121.223 0.070 0.000 2.042 307 L HA -0.010 4.345 4.340 0.026 0.000 0.210 307 L C 2.395 179.278 176.870 0.022 0.000 1.076 307 L CA 1.833 56.704 54.840 0.052 0.000 0.749 307 L CB -0.893 41.173 42.059 0.011 0.000 0.893 307 L HN 0.860 nan 8.230 nan 0.000 0.432 308 E N -0.745 119.457 120.200 0.003 0.000 2.481 308 E HA 0.123 4.489 4.350 0.026 0.000 0.195 308 E C 1.129 177.738 176.600 0.015 0.000 1.047 308 E CA 0.491 56.888 56.400 -0.005 0.000 0.867 308 E CB -0.107 29.575 29.700 -0.030 0.000 0.858 308 E HN 0.622 nan 8.360 nan 0.000 0.513 309 G N 2.543 111.365 108.800 0.038 0.000 2.246 309 G HA2 -0.283 3.693 3.960 0.026 0.000 0.273 309 G HA3 -0.283 3.693 3.960 0.026 0.000 0.273 309 G C 0.205 175.149 174.900 0.074 0.000 1.055 309 G CA 0.465 45.602 45.100 0.063 0.000 0.851 309 G HN 0.192 nan 8.290 nan 0.000 0.500 310 T N 0.951 115.540 114.554 0.059 0.000 2.908 310 T HA 0.477 4.842 4.350 0.026 0.000 0.301 310 T C 1.083 175.904 174.700 0.202 0.000 1.019 310 T CA 0.498 62.635 62.100 0.062 0.000 1.152 310 T CB 1.294 70.089 68.868 -0.121 0.000 0.966 310 T HN 1.424 nan 8.240 nan 0.000 0.540 311 A N 2.944 125.869 122.820 0.175 0.000 2.366 311 A HA 0.642 4.977 4.320 0.026 0.000 0.249 311 A C 0.845 178.605 177.584 0.293 0.000 1.084 311 A CA -0.530 51.630 52.037 0.205 0.000 0.794 311 A CB -0.068 19.019 19.000 0.144 0.000 1.034 311 A HN 1.108 nan 8.150 nan 0.000 0.491 312 A N 2.089 125.058 122.820 0.248 0.000 2.445 312 A HA 0.536 4.871 4.320 0.026 0.000 0.242 312 A C -2.145 175.551 177.584 0.188 0.000 1.075 312 A CA -0.965 51.197 52.037 0.208 0.000 0.777 312 A CB -0.799 18.314 19.000 0.189 0.000 1.013 312 A HN 0.650 nan 8.150 nan 0.000 0.493 313 P HA 0.400 nan 4.420 nan 0.000 0.268 313 P C 0.834 178.163 177.300 0.050 0.000 1.208 313 P CA 1.582 64.740 63.100 0.098 0.000 0.777 313 P CB 0.392 32.134 31.700 0.070 0.000 0.875 314 G N 1.143 109.951 108.800 0.013 0.000 2.632 314 G HA2 -0.047 3.928 3.960 0.026 0.000 0.224 314 G HA3 -0.047 3.928 3.960 0.026 0.000 0.224 314 G C -0.456 174.413 174.900 -0.051 0.000 1.341 314 G CA -0.143 44.940 45.100 -0.029 0.000 0.880 314 G HN 0.823 nan 8.290 nan 0.000 0.566 315 S N 0.475 116.106 115.700 -0.114 0.000 2.608 315 S HA 0.756 5.241 4.470 0.026 0.000 0.291 315 S C -2.080 172.295 174.600 -0.375 0.000 1.146 315 S CA -0.664 57.434 58.200 -0.170 0.000 1.043 315 S CB 2.597 65.711 63.200 -0.143 0.000 1.037 315 S HN 0.846 nan 8.310 nan 0.000 0.520 316 P HA 0.365 nan 4.420 nan 0.000 0.225 316 P C -0.723 176.029 177.300 -0.913 0.000 1.768 316 P CA 0.100 62.703 63.100 -0.829 0.000 0.943 316 P CB -0.680 30.880 31.700 -0.234 0.000 1.936 317 A N 1.256 123.529 122.820 -0.912 0.000 2.572 317 A HA 0.691 5.026 4.320 0.026 0.000 0.295 317 A C -3.064 174.294 177.584 -0.377 0.000 1.072 317 A CA -2.015 49.723 52.037 -0.498 0.000 0.691 317 A CB 0.771 19.611 19.000 -0.266 0.000 1.291 317 A HN -0.077 nan 8.150 nan 0.000 0.404 318 P HA 0.301 nan 4.420 nan 0.000 0.262 318 P C 1.039 178.261 177.300 -0.129 0.000 1.182 318 P CA 2.224 65.225 63.100 -0.165 0.000 0.761 318 P CB 0.572 32.138 31.700 -0.223 0.000 0.795 319 G N 2.744 111.490 108.800 -0.090 0.000 2.162 319 G HA2 -0.226 3.749 3.960 0.026 0.000 0.260 319 G HA3 -0.226 3.749 3.960 0.026 0.000 0.260 319 G C 0.801 175.644 174.900 -0.094 0.000 0.976 319 G CA -0.067 44.984 45.100 -0.080 0.000 0.655 319 G HN 0.854 nan 8.290 nan 0.000 0.533 320 G N 0.078 108.800 108.800 -0.130 0.000 3.284 320 G HA2 0.590 4.565 3.960 0.026 0.000 0.251 320 G HA3 0.590 4.565 3.960 0.026 0.000 0.251 320 G C 0.459 175.294 174.900 -0.109 0.000 0.913 320 G CA 0.946 45.961 45.100 -0.142 0.000 1.947 320 G HN 1.721 nan 8.290 nan 0.000 0.635 321 V N -3.771 116.091 119.914 -0.087 0.000 3.165 321 V HA 0.515 4.651 4.120 0.026 0.000 0.309 321 V C 0.319 176.370 176.094 -0.072 0.000 1.267 321 V CA -0.881 61.370 62.300 -0.082 0.000 1.067 321 V CB 1.623 33.389 31.823 -0.096 0.000 1.082 321 V HN 0.080 nan 8.190 nan 0.000 0.451 322 D N -0.046 120.310 120.400 -0.074 0.000 2.162 322 D HA 0.132 4.788 4.640 0.026 0.000 0.203 322 D C 0.143 176.411 176.300 -0.054 0.000 0.967 322 D CA 1.712 55.678 54.000 -0.057 0.000 0.840 322 D CB 0.636 41.405 40.800 -0.051 0.000 0.972 322 D HN 0.382 nan 8.370 nan 0.000 0.482 323 L N 0.001 121.179 121.223 -0.076 0.000 2.476 323 L HA 0.533 4.888 4.340 0.026 0.000 0.269 323 L C -1.689 175.133 176.870 -0.080 0.000 0.965 323 L CA -0.756 54.048 54.840 -0.060 0.000 0.845 323 L CB 1.936 43.968 42.059 -0.045 0.000 1.259 323 L HN -0.162 nan 8.230 nan 0.000 0.403 324 A N 6.104 128.891 122.820 -0.055 0.000 2.303 324 A HA 0.853 5.189 4.320 0.026 0.000 0.320 324 A C -1.330 176.230 177.584 -0.041 0.000 1.192 324 A CA -0.457 51.545 52.037 -0.059 0.000 0.821 324 A CB 0.717 19.686 19.000 -0.051 0.000 1.188 324 A HN 0.700 nan 8.150 nan 0.000 0.492 325 L N 2.578 123.766 121.223 -0.058 0.000 2.362 325 L HA 0.516 4.871 4.340 0.026 0.000 0.271 325 L C 0.004 176.824 176.870 -0.084 0.000 1.002 325 L CA -0.701 54.105 54.840 -0.057 0.000 0.818 325 L CB 2.058 44.057 42.059 -0.100 0.000 1.298 325 L HN 0.810 nan 8.230 nan 0.000 0.420 326 N N 3.181 121.840 118.700 -0.070 0.000 2.342 326 N HA 0.430 5.185 4.740 0.026 0.000 0.293 326 N C -1.409 174.033 175.510 -0.114 0.000 1.026 326 N CA -0.646 52.342 53.050 -0.102 0.000 0.857 326 N CB 1.579 40.020 38.487 -0.077 0.000 1.256 326 N HN 0.454 nan 8.380 nan 0.000 0.484 327 M N 2.732 122.213 119.600 -0.198 0.000 2.047 327 M HA 0.311 4.807 4.480 0.026 0.000 0.342 327 M C -0.312 175.807 176.300 -0.300 0.000 1.058 327 M CA -0.719 54.479 55.300 -0.170 0.000 0.991 327 M CB 0.564 33.069 32.600 -0.158 0.000 1.474 327 M HN 0.477 nan 8.290 nan 0.000 0.419 328 A N 5.465 128.234 122.820 -0.085 0.000 2.279 328 A HA 0.679 5.015 4.320 0.026 0.000 0.306 328 A C -0.482 177.209 177.584 0.178 0.000 1.300 328 A CA -0.454 51.538 52.037 -0.075 0.000 0.925 328 A CB -0.062 18.943 19.000 0.008 0.000 1.152 328 A HN 0.765 nan 8.150 nan 0.000 0.544 329 F N 1.965 122.015 119.950 0.166 0.000 2.389 329 F HA 0.556 5.100 4.527 0.029 0.000 0.337 329 F C 1.281 177.199 175.800 0.196 0.000 1.112 329 F CA 0.135 58.309 58.000 0.290 0.000 1.192 329 F CB 1.562 40.795 39.000 0.390 0.000 1.185 329 F HN 0.694 nan 8.300 nan 0.000 0.552 330 G N 1.500 110.535 108.800 0.391 0.000 2.682 330 G HA2 0.593 4.569 3.960 0.026 0.000 0.303 330 G HA3 0.593 4.569 3.960 0.026 0.000 0.303 330 G C -2.450 172.554 174.900 0.174 0.000 1.341 330 G CA -0.650 44.589 45.100 0.232 0.000 0.784 330 G HN 0.510 nan 8.290 nan 0.000 0.497 331 F N 0.073 119.962 119.950 -0.102 0.000 2.651 331 F HA 0.659 5.199 4.527 0.022 0.000 0.329 331 F C -0.621 175.086 175.800 -0.155 0.000 1.186 331 F CA -0.283 57.562 58.000 -0.259 0.000 1.046 331 F CB 1.895 40.661 39.000 -0.390 0.000 1.296 331 F HN 0.963 nan 8.300 nan 0.000 0.497 332 A N 3.636 126.117 122.820 -0.566 0.000 2.488 332 A HA 0.591 4.927 4.320 0.026 0.000 0.295 332 A C 0.289 177.600 177.584 -0.454 0.000 1.045 332 A CA -0.225 51.596 52.037 -0.361 0.000 0.703 332 A CB 1.139 20.042 19.000 -0.162 0.000 1.271 332 A HN 2.066 nan 8.150 nan 0.000 0.400 333 G N 0.961 109.557 108.800 -0.340 0.000 2.323 333 G HA2 0.182 4.158 3.960 0.026 0.000 0.292 333 G HA3 0.182 4.158 3.960 0.026 0.000 0.292 333 G C 1.706 176.394 174.900 -0.353 0.000 1.040 333 G CA 1.452 46.394 45.100 -0.264 0.000 0.942 333 G HN 2.930 nan 8.290 nan 0.000 0.506 334 G N -1.746 106.707 108.800 -0.579 0.000 2.168 334 G HA2 -0.249 3.727 3.960 0.026 0.000 0.263 334 G HA3 -0.249 3.727 3.960 0.026 0.000 0.263 334 G C 0.332 174.833 174.900 -0.665 0.000 0.977 334 G CA 1.212 46.003 45.100 -0.515 0.000 0.659 334 G HN 1.042 nan 8.290 nan 0.000 0.533 335 K N -0.389 119.463 120.400 -0.913 0.000 2.316 335 K HA 0.628 4.964 4.320 0.026 0.000 0.251 335 K C -0.171 176.073 176.600 -0.592 0.000 0.934 335 K CA -1.016 54.977 56.287 -0.490 0.000 0.802 335 K CB 1.320 33.699 32.500 -0.203 0.000 1.171 335 K HN 0.034 nan 8.250 nan 0.000 0.426 336 F N 1.141 121.013 119.950 -0.130 0.000 2.459 336 F HA 0.152 4.691 4.527 0.021 0.000 0.346 336 F C 1.416 177.208 175.800 -0.013 0.000 1.128 336 F CA 0.402 58.323 58.000 -0.131 0.000 1.268 336 F CB 0.828 39.569 39.000 -0.432 0.000 1.161 336 F HN 0.424 nan 8.300 nan 0.000 0.583 337 T N 0.717 115.408 114.554 0.228 0.000 2.900 337 T HA 0.783 5.148 4.350 0.026 0.000 0.295 337 T C -0.806 174.173 174.700 0.465 0.000 1.044 337 T CA -0.800 61.475 62.100 0.292 0.000 0.995 337 T CB 1.577 70.551 68.868 0.175 0.000 1.072 337 T HN 0.409 nan 8.240 nan 0.000 0.473 338 I N 2.548 123.396 120.570 0.464 0.000 2.447 338 I HA 0.359 4.544 4.170 0.026 0.000 0.287 338 I C -0.285 176.048 176.117 0.360 0.000 1.023 338 I CA -0.974 60.623 61.300 0.495 0.000 1.083 338 I CB 1.515 39.822 38.000 0.512 0.000 1.245 338 I HN 0.721 nan 8.210 nan 0.000 0.434 339 N N 5.071 123.945 118.700 0.291 0.000 2.716 339 N HA -0.213 4.543 4.740 0.026 0.000 0.250 339 N C 0.924 176.545 175.510 0.185 0.000 1.033 339 N CA 1.399 54.581 53.050 0.220 0.000 0.727 339 N CB -0.900 37.743 38.487 0.260 0.000 0.950 339 N HN 1.186 nan 8.380 nan 0.000 0.541 340 G N -2.634 106.272 108.800 0.177 0.000 2.176 340 G HA2 -0.102 3.873 3.960 0.026 0.000 0.253 340 G HA3 -0.102 3.873 3.960 0.026 0.000 0.253 340 G C 0.119 175.094 174.900 0.125 0.000 0.979 340 G CA 0.746 45.922 45.100 0.127 0.000 0.641 340 G HN 1.222 nan 8.290 nan 0.000 0.530 341 A N -0.371 122.555 122.820 0.176 0.000 2.342 341 A HA 0.864 5.199 4.320 0.026 0.000 0.323 341 A C 0.090 177.807 177.584 0.222 0.000 1.125 341 A CA 0.585 52.723 52.037 0.169 0.000 0.785 341 A CB 1.740 20.842 19.000 0.171 0.000 1.221 341 A HN 1.297 nan 8.150 nan 0.000 0.463 342 S N 1.328 117.133 115.700 0.175 0.000 2.451 342 S HA 0.569 5.054 4.470 0.026 0.000 0.301 342 S C -0.696 174.044 174.600 0.233 0.000 1.116 342 S CA -0.427 57.902 58.200 0.215 0.000 1.093 342 S CB 0.135 63.407 63.200 0.120 0.000 1.017 342 S HN 0.607 nan 8.310 nan 0.000 0.482 343 F N 5.192 125.257 119.950 0.192 0.000 2.504 343 F HA 0.391 4.932 4.527 0.023 0.000 0.369 343 F C 0.700 176.586 175.800 0.143 0.000 1.082 343 F CA 0.123 58.236 58.000 0.187 0.000 1.216 343 F CB 0.592 39.742 39.000 0.251 0.000 1.108 343 F HN 0.544 nan 8.300 nan 0.000 0.554 344 T N 4.896 119.151 114.554 -0.499 0.000 2.848 344 T HA 0.517 4.882 4.350 0.026 0.000 0.285 344 T C -2.922 171.363 174.700 -0.692 0.000 0.995 344 T CA -2.550 59.331 62.100 -0.366 0.000 0.970 344 T CB 1.560 70.307 68.868 -0.202 0.000 0.976 344 T HN 0.259 nan 8.240 nan 0.000 0.441 345 P HA 0.221 nan 4.420 nan 0.000 0.263 345 P C -2.209 174.887 177.300 -0.340 0.000 1.195 345 P CA -0.761 62.187 63.100 -0.253 0.000 0.762 345 P CB -0.266 31.353 31.700 -0.135 0.000 0.799 346 P HA 0.087 nan 4.420 nan 0.000 0.276 346 P C 0.565 177.767 177.300 -0.165 0.000 1.244 346 P CA -0.071 62.926 63.100 -0.171 0.000 0.801 346 P CB 0.680 32.334 31.700 -0.077 0.000 1.006 347 T N -0.052 114.427 114.554 -0.126 0.000 2.746 347 T HA -0.008 4.357 4.350 0.026 0.000 0.267 347 T C 0.896 175.632 174.700 0.060 0.000 1.039 347 T CA 1.026 63.085 62.100 -0.069 0.000 1.142 347 T CB -0.197 68.644 68.868 -0.045 0.000 0.866 347 T HN 0.211 nan 8.240 nan 0.000 0.444 348 V N 3.780 123.719 119.914 0.042 0.000 2.383 348 V HA 0.281 4.416 4.120 0.026 0.000 0.275 348 V C -2.369 173.776 176.094 0.085 0.000 1.036 348 V CA -2.455 59.879 62.300 0.057 0.000 0.889 348 V CB 1.068 32.907 31.823 0.026 0.000 0.985 348 V HN 0.114 nan 8.190 nan 0.000 0.459 349 P HA 0.025 nan 4.420 nan 0.000 0.265 349 P C 1.162 178.505 177.300 0.072 0.000 1.187 349 P CA 0.190 63.343 63.100 0.089 0.000 0.766 349 P CB 0.646 32.357 31.700 0.020 0.000 0.820 350 V N 3.400 123.342 119.914 0.048 0.000 2.317 350 V HA -0.265 3.871 4.120 0.026 0.000 0.251 350 V C 2.191 178.298 176.094 0.022 0.000 1.065 350 V CA 2.007 64.322 62.300 0.025 0.000 1.049 350 V CB -1.139 30.683 31.823 -0.002 0.000 0.651 350 V HN 0.542 nan 8.190 nan 0.000 0.450 351 L N -0.373 120.866 121.223 0.027 0.000 2.042 351 L HA -0.144 4.212 4.340 0.026 0.000 0.210 351 L C 2.185 179.140 176.870 0.142 0.000 1.076 351 L CA 1.930 56.794 54.840 0.040 0.000 0.749 351 L CB -0.711 41.375 42.059 0.044 0.000 0.893 351 L HN 0.294 nan 8.230 nan 0.000 0.432 352 L N -0.509 120.868 121.223 0.257 0.000 2.083 352 L HA -0.214 4.141 4.340 0.026 0.000 0.209 352 L C 2.502 179.443 176.870 0.119 0.000 1.083 352 L CA 1.718 56.712 54.840 0.257 0.000 0.752 352 L CB -0.754 41.399 42.059 0.157 0.000 0.899 352 L HN 0.454 nan 8.230 nan 0.000 0.433 353 Q N -0.592 119.254 119.800 0.076 0.000 2.061 353 Q HA -0.238 4.118 4.340 0.026 0.000 0.204 353 Q C 2.267 178.289 176.000 0.037 0.000 0.984 353 Q CA 2.285 58.114 55.803 0.045 0.000 0.846 353 Q CB -0.296 28.461 28.738 0.032 0.000 0.902 353 Q HN 0.569 nan 8.270 nan 0.000 0.421 354 I N 0.513 121.102 120.570 0.031 0.000 2.179 354 I HA -0.285 3.900 4.170 0.026 0.000 0.242 354 I C 2.103 178.231 176.117 0.019 0.000 1.088 354 I CA 1.083 62.391 61.300 0.014 0.000 1.357 354 I CB -0.244 37.751 38.000 -0.010 0.000 1.051 354 I HN 0.206 nan 8.210 nan 0.000 0.409 355 L N -0.225 121.018 121.223 0.034 0.000 2.275 355 L HA -0.123 4.232 4.340 0.026 0.000 0.215 355 L C 2.261 179.157 176.870 0.044 0.000 1.119 355 L CA 0.848 55.710 54.840 0.036 0.000 0.790 355 L CB -0.455 41.642 42.059 0.063 0.000 0.919 355 L HN 0.163 nan 8.230 nan 0.000 0.443 356 S N -0.605 115.124 115.700 0.049 0.000 2.558 356 S HA 0.174 4.659 4.470 0.026 0.000 0.217 356 S C 1.392 176.006 174.600 0.024 0.000 0.975 356 S CA 0.779 59.001 58.200 0.037 0.000 0.912 356 S CB 0.580 63.802 63.200 0.037 0.000 0.776 356 S HN 0.653 nan 8.310 nan 0.000 0.526 357 G N 0.771 109.583 108.800 0.021 0.000 2.227 357 G HA2 -0.023 3.953 3.960 0.026 0.000 0.168 357 G HA3 -0.023 3.953 3.960 0.026 0.000 0.168 357 G C 0.088 174.996 174.900 0.013 0.000 1.006 357 G CA -0.365 44.744 45.100 0.015 0.000 0.684 357 G HN 0.687 nan 8.290 nan 0.000 0.489 358 A N 0.158 122.986 122.820 0.015 0.000 2.488 358 A HA 0.610 4.945 4.320 0.026 0.000 0.249 358 A C 1.059 178.651 177.584 0.013 0.000 1.083 358 A CA 1.127 53.172 52.037 0.013 0.000 0.768 358 A CB 0.290 19.298 19.000 0.014 0.000 1.017 358 A HN 0.488 nan 8.150 nan 0.000 0.496 359 Q N 0.812 120.620 119.800 0.013 0.000 2.350 359 Q HA 0.144 4.499 4.340 0.026 0.000 0.225 359 Q C 0.315 176.326 176.000 0.018 0.000 0.878 359 Q CA 0.710 56.522 55.803 0.015 0.000 0.935 359 Q CB 0.478 29.224 28.738 0.013 0.000 1.099 359 Q HN 0.927 nan 8.270 nan 0.000 0.527 360 S N -2.074 113.636 115.700 0.016 0.000 2.638 360 S HA 0.647 5.133 4.470 0.026 0.000 0.274 360 S C 0.433 175.042 174.600 0.015 0.000 1.157 360 S CA -0.373 57.838 58.200 0.018 0.000 0.826 360 S CB 1.215 64.422 63.200 0.012 0.000 1.139 360 S HN 0.020 nan 8.310 nan 0.000 0.474 361 A N 0.531 123.359 122.820 0.014 0.000 1.933 361 A HA -0.108 4.228 4.320 0.026 0.000 0.218 361 A C 2.096 179.672 177.584 -0.014 0.000 1.175 361 A CA 1.917 53.955 52.037 0.002 0.000 0.628 361 A CB -1.149 17.839 19.000 -0.020 0.000 0.814 361 A HN 0.906 nan 8.150 nan 0.000 0.444 362 Q N -0.604 119.187 119.800 -0.015 0.000 2.226 362 Q HA -0.204 4.152 4.340 0.026 0.000 0.204 362 Q C 0.770 176.764 176.000 -0.009 0.000 0.975 362 Q CA 1.590 57.383 55.803 -0.017 0.000 0.866 362 Q CB -0.091 28.639 28.738 -0.014 0.000 0.915 362 Q HN 0.595 nan 8.270 nan 0.000 0.440 363 D N -0.019 120.380 120.400 -0.002 0.000 2.277 363 D HA 0.033 4.689 4.640 0.026 0.000 0.208 363 D C 0.116 176.417 176.300 0.002 0.000 0.962 363 D CA 0.484 54.484 54.000 0.000 0.000 0.865 363 D CB 0.199 41.002 40.800 0.005 0.000 0.939 363 D HN 0.252 nan 8.370 nan 0.000 0.510 364 L N 1.148 122.374 121.223 0.005 0.000 2.312 364 L HA 0.307 4.663 4.340 0.026 0.000 0.281 364 L C 0.101 176.975 176.870 0.007 0.000 1.070 364 L CA -0.462 54.385 54.840 0.013 0.000 0.805 364 L CB 1.488 43.564 42.059 0.028 0.000 1.174 364 L HN -0.262 nan 8.230 nan 0.000 0.434 365 L N 4.612 125.836 121.223 0.002 0.000 2.322 365 L HA 0.524 4.879 4.340 0.026 0.000 0.279 365 L C -2.155 174.700 176.870 -0.025 0.000 1.036 365 L CA -1.948 52.878 54.840 -0.023 0.000 0.807 365 L CB 1.742 43.775 42.059 -0.042 0.000 1.226 365 L HN 0.362 nan 8.230 nan 0.000 0.433 366 P HA 0.115 nan 4.420 nan 0.000 0.279 366 P C -0.756 176.527 177.300 -0.028 0.000 1.239 366 P CA -0.510 62.524 63.100 -0.111 0.000 0.789 366 P CB 1.144 32.689 31.700 -0.259 0.000 0.933 367 S N 1.015 116.697 115.700 -0.030 0.000 2.549 367 S HA 0.388 4.873 4.470 0.026 0.000 0.286 367 S C 1.429 176.029 174.600 -0.000 0.000 1.314 367 S CA 0.359 58.550 58.200 -0.016 0.000 1.062 367 S CB -0.266 62.921 63.200 -0.021 0.000 0.865 367 S HN 0.968 nan 8.310 nan 0.000 0.498 368 G N 2.006 110.797 108.800 -0.014 0.000 2.217 368 G HA2 -0.284 3.691 3.960 0.026 0.000 0.246 368 G HA3 -0.284 3.691 3.960 0.026 0.000 0.246 368 G C 0.716 175.633 174.900 0.029 0.000 0.990 368 G CA 0.264 45.357 45.100 -0.012 0.000 0.627 368 G HN 0.836 nan 8.290 nan 0.000 0.522 369 S N -0.694 115.066 115.700 0.100 0.000 2.539 369 S HA 0.482 4.967 4.470 0.026 0.000 0.221 369 S C 0.474 175.262 174.600 0.312 0.000 0.987 369 S CA 0.543 58.914 58.200 0.285 0.000 0.929 369 S CB 1.207 64.666 63.200 0.432 0.000 0.832 369 S HN 0.542 nan 8.310 nan 0.000 0.492 370 V N 2.177 122.151 119.914 0.100 0.000 2.495 370 V HA 0.476 4.611 4.120 0.026 0.000 0.298 370 V C -1.369 174.691 176.094 -0.057 0.000 1.031 370 V CA -0.739 61.645 62.300 0.140 0.000 0.871 370 V CB 1.029 32.919 31.823 0.111 0.000 0.988 370 V HN 0.278 nan 8.190 nan 0.000 0.432 371 Y N 1.877 122.258 120.300 0.134 0.000 2.328 371 Y HA 0.482 5.046 4.550 0.025 0.000 0.336 371 Y C 0.605 176.572 175.900 0.112 0.000 0.960 371 Y CA -0.402 57.768 58.100 0.117 0.000 1.134 371 Y CB 2.100 40.636 38.460 0.128 0.000 1.166 371 Y HN 0.601 nan 8.280 nan 0.000 0.464 372 S N 4.831 120.640 115.700 0.183 0.000 2.523 372 S HA 0.589 5.074 4.470 0.026 0.000 0.275 372 S C -0.755 173.941 174.600 0.161 0.000 1.281 372 S CA -0.468 57.820 58.200 0.146 0.000 1.050 372 S CB -0.082 63.171 63.200 0.087 0.000 0.937 372 S HN 0.602 nan 8.310 nan 0.000 0.492 373 L N 6.905 128.227 121.223 0.164 0.000 2.346 373 L HA 0.561 4.916 4.340 0.026 0.000 0.276 373 L C -2.041 174.898 176.870 0.114 0.000 1.006 373 L CA -2.360 52.567 54.840 0.144 0.000 0.817 373 L CB 2.014 44.187 42.059 0.191 0.000 1.272 373 L HN 0.521 nan 8.230 nan 0.000 0.421 374 P HA 0.187 nan 4.420 nan 0.000 0.274 374 P C -0.738 176.608 177.300 0.076 0.000 1.231 374 P CA -0.428 62.711 63.100 0.065 0.000 0.790 374 P CB 1.118 32.841 31.700 0.039 0.000 0.951 375 A N 2.176 125.044 122.820 0.079 0.000 2.407 375 A HA 0.187 4.522 4.320 0.026 0.000 0.248 375 A C 0.656 178.282 177.584 0.069 0.000 1.082 375 A CA -0.305 51.787 52.037 0.091 0.000 0.785 375 A CB -0.773 18.280 19.000 0.088 0.000 1.020 375 A HN 0.716 nan 8.150 nan 0.000 0.489 376 N N -1.359 117.389 118.700 0.079 0.000 2.705 376 N HA -0.172 4.583 4.740 0.026 0.000 0.255 376 N C -0.244 175.283 175.510 0.027 0.000 1.008 376 N CA 1.237 54.321 53.050 0.057 0.000 0.742 376 N CB -1.366 37.151 38.487 0.051 0.000 0.906 376 N HN 1.249 nan 8.380 nan 0.000 0.541 377 A N -0.063 122.764 122.820 0.011 0.000 2.454 377 A HA 0.602 4.937 4.320 0.026 0.000 0.302 377 A C -0.696 176.838 177.584 -0.083 0.000 1.079 377 A CA -0.781 51.237 52.037 -0.030 0.000 0.731 377 A CB 1.502 20.482 19.000 -0.033 0.000 1.299 377 A HN 0.082 nan 8.150 nan 0.000 0.413 378 D N 1.718 122.060 120.400 -0.098 0.000 2.277 378 D HA 0.449 5.104 4.640 0.026 0.000 0.249 378 D C -0.313 175.846 176.300 -0.234 0.000 1.134 378 D CA 0.286 54.198 54.000 -0.147 0.000 0.863 378 D CB 1.185 41.933 40.800 -0.087 0.000 1.143 378 D HN 0.264 nan 8.370 nan 0.000 0.458 379 I N 1.190 121.502 120.570 -0.430 0.000 2.474 379 I HA 0.305 4.491 4.170 0.026 0.000 0.294 379 I C 0.320 176.194 176.117 -0.406 0.000 1.005 379 I CA -0.719 60.269 61.300 -0.521 0.000 1.113 379 I CB 1.743 39.128 38.000 -1.025 0.000 1.289 379 I HN 0.318 nan 8.210 nan 0.000 0.436 380 E N 6.091 126.153 120.200 -0.230 0.000 2.210 380 E HA 0.661 5.027 4.350 0.026 0.000 0.266 380 E C -1.536 175.000 176.600 -0.105 0.000 0.883 380 E CA -0.535 55.789 56.400 -0.126 0.000 0.761 380 E CB 1.979 31.642 29.700 -0.060 0.000 1.156 380 E HN 0.501 nan 8.360 nan 0.000 0.412 381 I N 3.501 124.023 120.570 -0.080 0.000 2.466 381 I HA 0.251 4.436 4.170 0.026 0.000 0.289 381 I C -0.465 175.580 176.117 -0.119 0.000 1.026 381 I CA -0.833 60.407 61.300 -0.098 0.000 1.078 381 I CB 1.970 39.918 38.000 -0.087 0.000 1.249 381 I HN 0.453 nan 8.210 nan 0.000 0.429 382 S N 6.675 122.298 115.700 -0.128 0.000 2.489 382 S HA 0.770 5.255 4.470 0.026 0.000 0.291 382 S C -0.589 173.865 174.600 -0.244 0.000 1.151 382 S CA -0.749 57.366 58.200 -0.142 0.000 1.082 382 S CB 1.745 64.891 63.200 -0.090 0.000 1.019 382 S HN 0.478 nan 8.310 nan 0.000 0.492 383 L N 2.627 123.675 121.223 -0.292 0.000 2.594 383 L HA 0.394 4.749 4.340 0.026 0.000 0.245 383 L C -2.569 174.018 176.870 -0.471 0.000 1.460 383 L CA -1.533 53.016 54.840 -0.485 0.000 0.865 383 L CB 1.014 42.825 42.059 -0.414 0.000 1.131 383 L HN 0.465 nan 8.230 nan 0.000 0.506 384 P HA 0.088 nan 4.420 nan 0.000 0.267 384 P C 0.051 177.198 177.300 -0.254 0.000 1.209 384 P CA 0.078 63.011 63.100 -0.277 0.000 0.763 384 P CB 1.055 32.625 31.700 -0.217 0.000 0.816 385 A N 3.394 126.166 122.820 -0.080 0.000 2.462 385 A HA 0.455 4.790 4.320 0.026 0.000 0.243 385 A C 0.531 178.105 177.584 -0.017 0.000 1.076 385 A CA 0.487 52.551 52.037 0.044 0.000 0.773 385 A CB -0.263 18.758 19.000 0.035 0.000 1.010 385 A HN 0.577 nan 8.150 nan 0.000 0.493 386 T N 0.180 114.760 114.554 0.044 0.000 2.982 386 T HA 0.494 4.859 4.350 0.026 0.000 0.321 386 T C 0.596 175.206 174.700 -0.151 0.000 1.229 386 T CA 0.239 62.309 62.100 -0.050 0.000 1.044 386 T CB 1.212 70.109 68.868 0.048 0.000 1.184 386 T HN 1.431 nan 8.240 nan 0.000 0.477 387 A N 2.641 125.283 122.820 -0.296 0.000 2.168 387 A HA 0.391 4.727 4.320 0.026 0.000 0.215 387 A C 2.336 179.960 177.584 0.067 0.000 1.152 387 A CA 1.543 53.446 52.037 -0.223 0.000 0.716 387 A CB -0.784 18.134 19.000 -0.136 0.000 0.794 387 A HN 1.211 nan 8.150 nan 0.000 0.465 388 A N -0.529 122.333 122.820 0.070 0.000 2.125 388 A HA 0.364 4.700 4.320 0.026 0.000 0.219 388 A C 1.341 179.009 177.584 0.139 0.000 1.156 388 A CA 1.164 53.265 52.037 0.106 0.000 0.671 388 A CB -0.483 18.584 19.000 0.111 0.000 0.794 388 A HN 1.098 nan 8.150 nan 0.000 0.459 389 A N 1.164 124.125 122.820 0.235 0.000 2.394 389 A HA 0.610 4.945 4.320 0.026 0.000 0.333 389 A C -2.698 175.146 177.584 0.434 0.000 1.397 389 A CA -1.860 50.333 52.037 0.260 0.000 0.884 389 A CB 0.390 19.566 19.000 0.295 0.000 1.147 389 A HN 0.202 nan 8.150 nan 0.000 0.505 390 P HA 0.270 nan 4.420 nan 0.000 0.269 390 P C 0.893 178.334 177.300 0.235 0.000 1.215 390 P CA 1.421 64.557 63.100 0.060 0.000 0.780 390 P CB 0.893 32.352 31.700 -0.401 0.000 0.898 391 G N 1.138 109.979 108.800 0.068 0.000 2.141 391 G HA2 -0.222 3.754 3.960 0.026 0.000 0.231 391 G HA3 -0.222 3.754 3.960 0.026 0.000 0.231 391 G C 0.014 174.795 174.900 -0.197 0.000 0.984 391 G CA -0.072 45.064 45.100 0.060 0.000 0.660 391 G HN 0.597 nan 8.290 nan 0.000 0.525 392 F N 0.786 120.569 119.950 -0.278 0.000 2.545 392 F HA 0.616 5.158 4.527 0.026 0.000 0.348 392 F C -1.083 174.655 175.800 -0.103 0.000 1.163 392 F CA -2.442 55.319 58.000 -0.398 0.000 1.331 392 F CB -0.497 38.483 39.000 -0.033 0.000 1.138 392 F HN 0.064 nan 8.300 nan 0.000 0.602 393 P HA 0.132 nan 4.420 nan 0.000 0.281 393 P C -1.159 176.187 177.300 0.078 0.000 1.252 393 P CA -0.130 63.081 63.100 0.185 0.000 0.778 393 P CB 0.628 32.467 31.700 0.232 0.000 0.895 394 H N 4.421 123.703 119.070 0.353 0.000 2.652 394 H HA 0.218 4.789 4.556 0.025 0.000 0.298 394 H C -1.984 173.490 175.328 0.244 0.000 1.076 394 H CA -1.932 54.312 56.048 0.326 0.000 1.360 394 H CB 0.771 30.793 29.762 0.434 0.000 1.421 394 H HN 0.312 nan 8.280 nan 0.000 0.464 395 P HA 0.119 nan 4.420 nan 0.000 0.280 395 P C -0.486 176.907 177.300 0.155 0.000 1.386 395 P CA -0.310 62.880 63.100 0.150 0.000 0.899 395 P CB -0.151 31.643 31.700 0.158 0.000 1.098 396 F N 3.121 123.082 119.950 0.018 0.000 2.399 396 F HA 0.302 4.845 4.527 0.028 0.000 0.342 396 F C 1.262 177.122 175.800 0.100 0.000 1.106 396 F CA 0.463 58.441 58.000 -0.036 0.000 1.196 396 F CB 0.607 39.535 39.000 -0.120 0.000 1.163 396 F HN 0.395 nan 8.300 nan 0.000 0.547 397 H N 3.593 122.636 119.070 -0.046 0.000 2.589 397 H HA 0.543 5.114 4.556 0.025 0.000 0.351 397 H C -1.780 173.578 175.328 0.049 0.000 1.074 397 H CA -1.063 55.021 56.048 0.060 0.000 1.203 397 H CB 1.465 31.252 29.762 0.043 0.000 1.558 397 H HN 0.526 nan 8.280 nan 0.000 0.522 398 L N 6.063 127.194 121.223 -0.153 0.000 2.287 398 L HA 0.325 4.680 4.340 0.026 0.000 0.287 398 L C -0.543 176.081 176.870 -0.409 0.000 1.022 398 L CA -0.228 54.498 54.840 -0.190 0.000 0.814 398 L CB 0.470 42.501 42.059 -0.048 0.000 1.217 398 L HN 0.770 nan 8.230 nan 0.000 0.420 399 H N 3.778 122.619 119.070 -0.382 0.000 2.679 399 H HA 0.264 4.835 4.556 0.025 0.000 0.369 399 H C 0.988 176.110 175.328 -0.343 0.000 1.178 399 H CA 0.596 56.529 56.048 -0.192 0.000 1.419 399 H CB 0.974 30.821 29.762 0.143 0.000 1.458 399 H HN 0.942 nan 8.280 nan 0.000 0.605 400 G N 1.352 109.857 108.800 -0.491 0.000 2.189 400 G HA2 -0.233 3.742 3.960 0.026 0.000 0.267 400 G HA3 -0.233 3.742 3.960 0.026 0.000 0.267 400 G C 0.010 174.227 174.900 -1.138 0.000 0.975 400 G CA 0.391 44.646 45.100 -1.409 0.000 0.644 400 G HN 0.801 nan 8.290 nan 0.000 0.537 401 H N -1.162 117.705 119.070 -0.339 0.000 3.046 401 H HA 0.526 5.097 4.556 0.025 0.000 0.363 401 H C -0.689 174.625 175.328 -0.024 0.000 1.203 401 H CA 0.180 56.042 56.048 -0.310 0.000 1.169 401 H CB 1.598 31.100 29.762 -0.433 0.000 1.851 401 H HN 0.189 nan 8.280 nan 0.000 0.546 402 T N 1.946 116.607 114.554 0.177 0.000 2.928 402 T HA 0.565 4.931 4.350 0.026 0.000 0.284 402 T C -0.780 174.009 174.700 0.149 0.000 1.008 402 T CA -0.552 61.600 62.100 0.088 0.000 1.057 402 T CB 0.099 69.109 68.868 0.237 0.000 1.018 402 T HN 0.359 nan 8.240 nan 0.000 0.493 403 F N 1.076 121.125 119.950 0.165 0.000 2.588 403 F HA 0.847 5.389 4.527 0.025 0.000 0.314 403 F C -0.245 175.389 175.800 -0.277 0.000 1.069 403 F CA -1.980 56.045 58.000 0.041 0.000 0.931 403 F CB 0.722 39.741 39.000 0.032 0.000 1.260 403 F HN 0.618 nan 8.300 nan 0.000 0.465 404 A N 1.481 124.059 122.820 -0.405 0.000 2.409 404 A HA 0.574 4.909 4.320 0.026 0.000 0.262 404 A C -0.552 176.978 177.584 -0.090 0.000 1.113 404 A CA -0.587 51.013 52.037 -0.728 0.000 0.790 404 A CB 0.228 18.776 19.000 -0.753 0.000 1.046 404 A HN 0.750 nan 8.150 nan 0.000 0.496 405 V N 5.493 125.389 119.914 -0.030 0.000 2.299 405 V HA 0.081 4.216 4.120 0.026 0.000 0.255 405 V C 1.478 177.538 176.094 -0.057 0.000 1.100 405 V CA 0.379 62.704 62.300 0.042 0.000 0.938 405 V CB 0.228 32.109 31.823 0.096 0.000 1.139 405 V HN 0.917 nan 8.190 nan 0.000 0.490 406 V N 2.183 122.050 119.914 -0.078 0.000 2.667 406 V HA 0.131 4.267 4.120 0.026 0.000 0.252 406 V C 1.014 176.975 176.094 -0.222 0.000 1.065 406 V CA 0.926 63.136 62.300 -0.150 0.000 1.083 406 V CB -0.367 31.372 31.823 -0.140 0.000 0.692 406 V HN 0.698 nan 8.190 nan 0.000 0.468 407 R N 0.206 120.572 120.500 -0.223 0.000 2.502 407 R HA 0.562 4.917 4.340 0.026 0.000 0.300 407 R C -0.761 175.416 176.300 -0.205 0.000 0.984 407 R CA -0.155 55.731 56.100 -0.357 0.000 0.882 407 R CB 2.004 31.891 30.300 -0.689 0.000 1.180 407 R HN 0.412 nan 8.270 nan 0.000 0.444 408 S N 1.677 117.282 115.700 -0.159 0.000 2.672 408 S HA 0.543 5.028 4.470 0.026 0.000 0.276 408 S C -0.277 174.272 174.600 -0.084 0.000 1.207 408 S CA -0.551 57.599 58.200 -0.084 0.000 1.002 408 S CB 1.578 64.755 63.200 -0.037 0.000 0.998 408 S HN 0.742 nan 8.310 nan 0.000 0.542 409 A N 0.375 123.166 122.820 -0.049 0.000 2.462 409 A HA 0.508 4.843 4.320 0.026 0.000 0.243 409 A C 1.380 178.959 177.584 -0.009 0.000 1.076 409 A CA 0.283 52.303 52.037 -0.029 0.000 0.773 409 A CB -1.054 17.936 19.000 -0.016 0.000 1.010 409 A HN 1.798 nan 8.150 nan 0.000 0.493 410 G N 0.209 109.005 108.800 -0.007 0.000 2.148 410 G HA2 -0.079 3.896 3.960 0.026 0.000 0.254 410 G HA3 -0.079 3.896 3.960 0.026 0.000 0.254 410 G C 0.296 175.185 174.900 -0.018 0.000 0.981 410 G CA 0.781 45.883 45.100 0.004 0.000 0.670 410 G HN 1.957 nan 8.290 nan 0.000 0.528 411 S N -0.890 114.779 115.700 -0.052 0.000 2.547 411 S HA 0.696 5.181 4.470 0.026 0.000 0.281 411 S C 1.039 175.567 174.600 -0.120 0.000 1.118 411 S CA 0.730 58.885 58.200 -0.075 0.000 0.947 411 S CB 1.659 64.808 63.200 -0.085 0.000 1.053 411 S HN 1.224 nan 8.310 nan 0.000 0.482 412 S N 1.861 117.503 115.700 -0.098 0.000 2.556 412 S HA 0.159 4.644 4.470 0.026 0.000 0.216 412 S C 0.818 175.332 174.600 -0.143 0.000 0.970 412 S CA 0.170 58.308 58.200 -0.103 0.000 0.912 412 S CB -0.543 62.640 63.200 -0.028 0.000 0.790 412 S HN 0.926 nan 8.310 nan 0.000 0.504 413 T N 0.095 114.554 114.554 -0.159 0.000 2.913 413 T HA 0.592 4.957 4.350 0.026 0.000 0.287 413 T C -0.866 173.650 174.700 -0.307 0.000 1.008 413 T CA -0.557 61.476 62.100 -0.112 0.000 1.067 413 T CB 0.435 69.274 68.868 -0.049 0.000 0.996 413 T HN 0.204 nan 8.240 nan 0.000 0.513 414 Y N 1.281 121.504 120.300 -0.129 0.000 2.360 414 Y HA 0.538 5.103 4.550 0.026 0.000 0.337 414 Y C 0.463 176.132 175.900 -0.385 0.000 1.039 414 Y CA -1.095 56.819 58.100 -0.311 0.000 1.109 414 Y CB 1.636 39.877 38.460 -0.366 0.000 1.201 414 Y HN 0.684 nan 8.280 nan 0.000 0.458 415 N N 2.468 120.961 118.700 -0.345 0.000 2.524 415 N HA 0.186 4.941 4.740 0.026 0.000 0.261 415 N C -0.994 174.333 175.510 -0.305 0.000 0.998 415 N CA -0.491 52.419 53.050 -0.232 0.000 0.915 415 N CB 0.420 38.848 38.487 -0.098 0.000 1.187 415 N HN 0.590 nan 8.380 nan 0.000 0.507 416 Y N 0.945 121.294 120.300 0.082 0.000 2.481 416 Y HA 0.247 4.813 4.550 0.026 0.000 0.258 416 Y C 2.009 177.952 175.900 0.072 0.000 1.103 416 Y CA -0.094 58.047 58.100 0.068 0.000 1.287 416 Y CB 0.551 39.041 38.460 0.051 0.000 1.108 416 Y HN 0.567 nan 8.280 nan 0.000 0.529 417 E N 1.897 122.209 120.200 0.188 0.000 2.051 417 E HA -0.116 4.249 4.350 0.026 0.000 0.189 417 E C 0.141 176.818 176.600 0.129 0.000 0.979 417 E CA 1.324 57.810 56.400 0.144 0.000 0.803 417 E CB 0.003 29.771 29.700 0.113 0.000 0.761 417 E HN 0.695 nan 8.360 nan 0.000 0.451 418 N N -0.351 118.416 118.700 0.113 0.000 2.620 418 N HA 0.237 4.993 4.740 0.026 0.000 0.277 418 N C -2.871 172.708 175.510 0.115 0.000 1.726 418 N CA -1.116 52.007 53.050 0.122 0.000 0.840 418 N CB 1.305 39.850 38.487 0.096 0.000 1.379 418 N HN -0.073 nan 8.380 nan 0.000 0.506 419 P HA 0.011 nan 4.420 nan 0.000 0.274 419 P C 0.583 177.960 177.300 0.128 0.000 1.237 419 P CA -0.148 62.988 63.100 0.060 0.000 0.793 419 P CB 1.708 33.394 31.700 -0.023 0.000 0.977 420 V N 3.034 123.006 119.914 0.098 0.000 2.901 420 V HA -0.048 4.087 4.120 0.026 0.000 0.307 420 V C -0.604 175.569 176.094 0.132 0.000 1.084 420 V CA 0.626 63.008 62.300 0.138 0.000 1.184 420 V CB -0.856 31.029 31.823 0.103 0.000 0.941 420 V HN 0.317 nan 8.190 nan 0.000 0.493 421 Y N 6.578 126.887 120.300 0.015 0.000 2.409 421 Y HA 0.766 5.331 4.550 0.026 0.000 0.339 421 Y C 0.549 176.369 175.900 -0.134 0.000 1.033 421 Y CA -0.485 57.596 58.100 -0.032 0.000 1.094 421 Y CB 1.544 39.997 38.460 -0.011 0.000 1.210 421 Y HN 0.781 nan 8.280 nan 0.000 0.456 422 R N -0.132 120.238 120.500 -0.216 0.000 3.034 422 R HA 0.440 4.795 4.340 0.026 0.000 0.264 422 R C -1.238 174.596 176.300 -0.777 0.000 1.030 422 R CA -0.531 55.365 56.100 -0.340 0.000 0.903 422 R CB 0.733 30.906 30.300 -0.211 0.000 1.414 422 R HN 0.519 nan 8.270 nan 0.000 0.429 423 D N -0.792 119.324 120.400 -0.473 0.000 2.502 423 D HA 0.209 4.865 4.640 0.026 0.000 0.232 423 D C -0.421 176.039 176.300 0.265 0.000 1.137 423 D CA -0.049 53.763 54.000 -0.314 0.000 0.827 423 D CB 0.996 41.818 40.800 0.036 0.000 1.141 423 D HN 0.148 nan 8.370 nan 0.000 0.517 424 V N 0.994 121.038 119.914 0.217 0.000 2.577 424 V HA 0.588 4.724 4.120 0.026 0.000 0.303 424 V C -1.043 175.219 176.094 0.279 0.000 1.042 424 V CA -1.068 61.437 62.300 0.342 0.000 0.872 424 V CB 2.247 34.171 31.823 0.168 0.000 0.998 424 V HN 0.064 nan 8.190 nan 0.000 0.423 425 V N 4.184 124.290 119.914 0.320 0.000 2.638 425 V HA 0.586 4.722 4.120 0.026 0.000 0.306 425 V C 0.169 176.265 176.094 0.002 0.000 1.052 425 V CA -0.202 62.202 62.300 0.173 0.000 0.885 425 V CB 2.440 34.427 31.823 0.273 0.000 0.999 425 V HN 0.969 nan 8.190 nan 0.000 0.424 426 S N 3.573 119.107 115.700 -0.277 0.000 2.533 426 S HA 0.119 4.605 4.470 0.026 0.000 0.282 426 S C 1.321 175.836 174.600 -0.142 0.000 1.304 426 S CA 0.372 58.294 58.200 -0.463 0.000 1.063 426 S CB 0.906 63.386 63.200 -1.200 0.000 0.881 426 S HN 1.180 nan 8.310 nan 0.000 0.493 427 T N 2.450 117.020 114.554 0.026 0.000 3.129 427 T HA 0.455 4.821 4.350 0.026 0.000 0.251 427 T C 1.292 176.051 174.700 0.097 0.000 1.117 427 T CA 0.376 62.530 62.100 0.091 0.000 1.034 427 T CB -0.858 68.148 68.868 0.230 0.000 0.968 427 T HN 1.451 nan 8.240 nan 0.000 0.526 428 G N 1.147 109.990 108.800 0.071 0.000 2.553 428 G HA2 -0.108 3.868 3.960 0.026 0.000 0.242 428 G HA3 -0.108 3.868 3.960 0.026 0.000 0.242 428 G C -0.345 174.659 174.900 0.172 0.000 1.277 428 G CA -0.295 44.863 45.100 0.096 0.000 0.910 428 G HN 0.813 nan 8.290 nan 0.000 0.576 429 S N 1.301 117.070 115.700 0.116 0.000 2.634 429 S HA 0.760 5.245 4.470 0.026 0.000 0.296 429 S C -2.843 171.727 174.600 -0.050 0.000 1.104 429 S CA -0.756 57.487 58.200 0.072 0.000 0.920 429 S CB 2.308 65.620 63.200 0.186 0.000 1.111 429 S HN 0.676 nan 8.310 nan 0.000 0.493 430 P HA 0.172 nan 4.420 nan 0.000 0.261 430 P C 0.877 178.142 177.300 -0.059 0.000 1.173 430 P CA 1.434 64.455 63.100 -0.132 0.000 0.760 430 P CB 0.046 31.646 31.700 -0.167 0.000 0.783 431 G N 2.112 110.882 108.800 -0.050 0.000 2.284 431 G HA2 -0.165 3.810 3.960 0.026 0.000 0.216 431 G HA3 -0.165 3.810 3.960 0.026 0.000 0.216 431 G C 0.001 174.881 174.900 -0.034 0.000 1.009 431 G CA -0.365 44.716 45.100 -0.031 0.000 0.625 431 G HN 0.500 nan 8.290 nan 0.000 0.501 432 D N 0.581 120.960 120.400 -0.036 0.000 2.339 432 D HA 0.505 5.160 4.640 0.026 0.000 0.245 432 D C 0.039 176.301 176.300 -0.063 0.000 1.115 432 D CA 0.124 54.096 54.000 -0.045 0.000 0.917 432 D CB 1.084 41.868 40.800 -0.027 0.000 1.192 432 D HN 0.181 nan 8.370 nan 0.000 0.428 433 N N 1.180 119.830 118.700 -0.083 0.000 2.726 433 N HA 0.087 4.842 4.740 0.026 0.000 0.253 433 N C -1.519 173.924 175.510 -0.112 0.000 1.530 433 N CA -0.314 52.683 53.050 -0.089 0.000 0.772 433 N CB 0.353 38.815 38.487 -0.041 0.000 1.220 433 N HN -0.017 nan 8.380 nan 0.000 0.508 434 V N 1.504 121.349 119.914 -0.115 0.000 2.557 434 V HA 0.158 4.293 4.120 0.026 0.000 0.301 434 V C 0.452 176.472 176.094 -0.123 0.000 1.026 434 V CA 0.602 62.830 62.300 -0.120 0.000 1.137 434 V CB 0.649 32.417 31.823 -0.093 0.000 0.917 434 V HN 0.446 nan 8.190 nan 0.000 0.484 435 T N 6.641 121.132 114.554 -0.105 0.000 2.881 435 T HA 0.667 5.033 4.350 0.026 0.000 0.290 435 T C -0.402 174.258 174.700 -0.066 0.000 1.000 435 T CA -0.302 61.763 62.100 -0.060 0.000 0.978 435 T CB 1.324 70.235 68.868 0.071 0.000 0.997 435 T HN 0.652 nan 8.240 nan 0.000 0.443 436 I N -0.026 120.486 120.570 -0.096 0.000 2.740 436 I HA 0.840 5.026 4.170 0.026 0.000 0.303 436 I C -0.848 175.269 176.117 -0.000 0.000 1.044 436 I CA -1.281 59.966 61.300 -0.089 0.000 1.064 436 I CB 2.240 40.005 38.000 -0.391 0.000 1.249 436 I HN 0.367 nan 8.210 nan 0.000 0.433 437 R N 3.540 124.082 120.500 0.070 0.000 2.744 437 R HA 0.751 5.107 4.340 0.026 0.000 0.279 437 R C -1.629 174.794 176.300 0.206 0.000 0.977 437 R CA -0.625 55.508 56.100 0.055 0.000 0.906 437 R CB 2.563 32.876 30.300 0.022 0.000 1.197 437 R HN 0.771 nan 8.270 nan 0.000 0.463 438 F N -1.312 118.627 119.950 -0.017 0.000 2.711 438 F HA 0.649 5.191 4.527 0.026 0.000 0.313 438 F C -1.103 174.675 175.800 -0.037 0.000 1.141 438 F CA -1.465 56.529 58.000 -0.010 0.000 0.941 438 F CB 1.343 40.289 39.000 -0.089 0.000 1.349 438 F HN 0.232 nan 8.300 nan 0.000 0.464 439 R N 0.641 121.222 120.500 0.136 0.000 2.460 439 R HA 0.513 4.868 4.340 0.026 0.000 0.303 439 R C -0.643 175.757 176.300 0.166 0.000 0.968 439 R CA -0.199 55.936 56.100 0.060 0.000 0.889 439 R CB 1.471 31.830 30.300 0.099 0.000 1.123 439 R HN 0.857 nan 8.270 nan 0.000 0.455 440 T N 1.075 115.692 114.554 0.105 0.000 3.945 440 T HA 0.113 4.478 4.350 0.026 0.000 0.306 440 T C -0.151 174.696 174.700 0.244 0.000 1.475 440 T CA -0.600 61.639 62.100 0.232 0.000 1.177 440 T CB -0.236 68.731 68.868 0.164 0.000 1.272 440 T HN 0.665 nan 8.240 nan 0.000 0.930 441 D N 0.270 120.840 120.400 0.284 0.000 2.424 441 D HA 0.102 4.758 4.640 0.026 0.000 0.220 441 D C 0.124 176.584 176.300 0.267 0.000 1.150 441 D CA -0.560 53.561 54.000 0.201 0.000 0.831 441 D CB 0.057 40.916 40.800 0.099 0.000 0.981 441 D HN 0.392 nan 8.370 nan 0.000 0.500 442 N N 0.923 119.823 118.700 0.333 0.000 2.710 442 N HA 0.260 5.015 4.740 0.026 0.000 0.244 442 N C -3.014 172.789 175.510 0.488 0.000 1.321 442 N CA -1.577 51.687 53.050 0.357 0.000 0.758 442 N CB 1.402 39.885 38.487 -0.006 0.000 1.284 442 N HN -0.176 nan 8.380 nan 0.000 0.530 443 P HA 0.338 nan 4.420 nan 0.000 0.264 443 P C 0.042 177.419 177.300 0.129 0.000 1.193 443 P CA 0.454 63.684 63.100 0.216 0.000 0.763 443 P CB 0.688 32.446 31.700 0.096 0.000 0.810 444 G N 3.348 112.133 108.800 -0.026 0.000 2.345 444 G HA2 0.204 4.179 3.960 0.026 0.000 0.310 444 G HA3 0.204 4.179 3.960 0.026 0.000 0.310 444 G C -3.461 171.038 174.900 -0.670 0.000 1.476 444 G CA -0.905 43.913 45.100 -0.470 0.000 0.978 444 G HN 0.262 nan 8.290 nan 0.000 0.656 445 P HA 0.428 nan 4.420 nan 0.000 0.282 445 P C -1.160 175.741 177.300 -0.665 0.000 1.262 445 P CA -0.028 62.801 63.100 -0.452 0.000 0.773 445 P CB 0.363 31.902 31.700 -0.269 0.000 0.879 446 W N 3.145 124.460 121.300 0.024 0.000 2.683 446 W HA 0.365 5.040 4.660 0.025 0.000 0.329 446 W C -0.150 176.385 176.519 0.027 0.000 1.037 446 W CA -0.862 56.492 57.345 0.014 0.000 1.232 446 W CB 1.147 30.672 29.460 0.108 0.000 1.390 446 W HN 0.222 nan 8.180 nan 0.000 0.465 447 F N 3.988 123.877 119.950 -0.101 0.000 2.518 447 F HA 0.325 4.865 4.527 0.022 0.000 0.359 447 F C -0.067 175.740 175.800 0.010 0.000 1.118 447 F CA -0.892 56.990 58.000 -0.198 0.000 1.287 447 F CB 0.623 39.287 39.000 -0.560 0.000 1.132 447 F HN 0.092 nan 8.300 nan 0.000 0.587 448 L N 6.417 127.767 121.223 0.212 0.000 2.406 448 L HA 0.431 4.787 4.340 0.026 0.000 0.270 448 L C -1.349 175.476 176.870 -0.075 0.000 0.982 448 L CA -0.211 54.660 54.840 0.052 0.000 0.843 448 L CB 1.028 43.145 42.059 0.096 0.000 1.225 448 L HN 0.764 nan 8.230 nan 0.000 0.412 449 H N 1.584 120.445 119.070 -0.349 0.000 3.014 449 H HA 0.461 5.034 4.556 0.028 0.000 0.337 449 H C -0.996 173.576 175.328 -1.259 0.000 1.320 449 H CA -0.989 54.573 56.048 -0.811 0.000 1.128 449 H CB 0.699 29.908 29.762 -0.921 0.000 1.862 449 H HN 0.672 nan 8.280 nan 0.000 0.536 450 C N 2.233 120.558 119.300 -1.626 0.000 2.648 450 C HA 0.063 4.538 4.460 0.026 0.000 0.419 450 C C 1.369 176.188 174.990 -0.287 0.000 1.352 450 C CA 0.041 58.355 59.018 -1.173 0.000 1.816 450 C CB -0.942 26.316 27.740 -0.802 0.000 2.598 450 C HN 0.999 nan 8.230 nan 0.000 0.598 451 H N 4.154 123.110 119.070 -0.190 0.000 2.533 451 H HA 0.270 4.842 4.556 0.027 0.000 0.271 451 H C 0.540 175.886 175.328 0.030 0.000 1.000 451 H CA 0.332 56.402 56.048 0.037 0.000 1.149 451 H CB 0.031 29.838 29.762 0.075 0.000 1.375 451 H HN 0.658 nan 8.280 nan 0.000 0.582 452 I N 1.614 122.215 120.570 0.052 0.000 2.483 452 I HA -0.108 4.078 4.170 0.026 0.000 0.291 452 I C 1.424 177.408 176.117 -0.222 0.000 1.112 452 I CA 0.032 61.263 61.300 -0.116 0.000 1.350 452 I CB 0.726 38.509 38.000 -0.362 0.000 1.419 452 I HN 0.002 nan 8.210 nan 0.000 0.523 453 D N 4.976 125.156 120.400 -0.366 0.000 2.178 453 D HA -0.186 4.469 4.640 0.026 0.000 0.201 453 D C 1.759 177.801 176.300 -0.431 0.000 0.980 453 D CA 1.772 55.482 54.000 -0.484 0.000 0.842 453 D CB 0.121 40.426 40.800 -0.825 0.000 0.948 453 D HN 0.469 nan 8.370 nan 0.000 0.472 454 F N -0.288 119.596 119.950 -0.111 0.000 2.293 454 F HA -0.020 4.518 4.527 0.018 0.000 0.300 454 F C 2.330 178.249 175.800 0.199 0.000 1.086 454 F CA 0.961 58.963 58.000 0.004 0.000 1.375 454 F CB -0.840 38.155 39.000 -0.008 0.000 1.045 454 F HN 0.264 nan 8.300 nan 0.000 0.516 455 H N -1.065 118.098 119.070 0.155 0.000 2.403 455 H HA -0.064 4.506 4.556 0.023 0.000 0.298 455 H C 2.136 177.462 175.328 -0.003 0.000 1.059 455 H CA 0.664 56.706 56.048 -0.011 0.000 1.363 455 H CB -0.116 29.461 29.762 -0.309 0.000 1.410 455 H HN 0.159 nan 8.280 nan 0.000 0.528 456 L N 1.765 123.022 121.223 0.057 0.000 2.042 456 L HA -0.191 4.165 4.340 0.026 0.000 0.210 456 L C 2.265 179.185 176.870 0.084 0.000 1.076 456 L CA 1.868 56.679 54.840 -0.048 0.000 0.749 456 L CB -0.459 41.439 42.059 -0.268 0.000 0.893 456 L HN 0.145 nan 8.230 nan 0.000 0.432 457 E N 0.056 120.321 120.200 0.108 0.000 2.153 457 E HA -0.140 4.225 4.350 0.026 0.000 0.194 457 E C 1.701 178.436 176.600 0.225 0.000 0.988 457 E CA 1.306 57.803 56.400 0.161 0.000 0.811 457 E CB -0.299 29.488 29.700 0.145 0.000 0.746 457 E HN 0.555 nan 8.360 nan 0.000 0.466 458 A N -0.857 122.146 122.820 0.305 0.000 2.370 458 A HA 0.478 4.814 4.320 0.026 0.000 0.238 458 A C 1.441 179.254 177.584 0.380 0.000 1.289 458 A CA 0.571 52.822 52.037 0.355 0.000 0.885 458 A CB -0.580 18.732 19.000 0.521 0.000 0.961 458 A HN 0.469 nan 8.150 nan 0.000 0.499 459 G N -1.889 107.121 108.800 0.350 0.000 2.144 459 G HA2 -0.219 3.757 3.960 0.026 0.000 0.218 459 G HA3 -0.219 3.757 3.960 0.026 0.000 0.218 459 G C -0.021 175.145 174.900 0.442 0.000 0.988 459 G CA 0.023 45.353 45.100 0.384 0.000 0.659 459 G HN 0.478 nan 8.290 nan 0.000 0.522 460 F N 2.244 122.259 119.950 0.108 0.000 2.659 460 F HA 0.688 5.230 4.527 0.025 0.000 0.360 460 F C 0.585 176.312 175.800 -0.122 0.000 1.218 460 F CA -0.779 57.189 58.000 -0.053 0.000 1.317 460 F CB -0.358 38.354 39.000 -0.480 0.000 1.697 460 F HN 0.689 nan 8.300 nan 0.000 0.637 461 A N 2.132 125.040 122.820 0.147 0.000 2.604 461 A HA 0.765 5.100 4.320 0.026 0.000 0.295 461 A C -1.401 176.283 177.584 0.167 0.000 1.067 461 A CA -0.324 51.653 52.037 -0.100 0.000 0.683 461 A CB 1.425 20.059 19.000 -0.609 0.000 1.281 461 A HN 0.470 nan 8.150 nan 0.000 0.407 462 V N -1.535 118.480 119.914 0.167 0.000 3.141 462 V HA 0.945 5.080 4.120 0.026 0.000 0.312 462 V C -0.815 175.495 176.094 0.360 0.000 1.157 462 V CA -0.887 61.627 62.300 0.356 0.000 1.041 462 V CB 1.563 33.624 31.823 0.398 0.000 1.071 462 V HN 0.974 nan 8.190 nan 0.000 0.441 463 V N 3.355 123.514 119.914 0.409 0.000 2.495 463 V HA 0.459 4.595 4.120 0.026 0.000 0.298 463 V C -1.578 174.713 176.094 0.329 0.000 1.031 463 V CA -0.778 61.714 62.300 0.320 0.000 0.871 463 V CB 2.598 34.550 31.823 0.216 0.000 0.988 463 V HN 0.572 nan 8.190 nan 0.000 0.432 464 M N 2.831 122.607 119.600 0.294 0.000 2.111 464 M HA 0.233 nan 4.480 nan 0.000 0.351 464 M C 0.345 176.805 176.300 0.268 0.000 1.214 464 M CA -0.765 54.724 55.300 0.314 0.000 1.120 464 M CB 1.045 33.847 32.600 0.336 0.000 1.443 464 M HN 0.393 8.829 8.290 0.243 0.000 0.429 465 A N 4.974 127.923 122.820 0.216 0.000 2.527 465 A HA 0.287 4.622 4.320 0.026 0.000 0.313 465 A C 0.241 177.924 177.584 0.164 0.000 1.410 465 A CA -0.193 51.921 52.037 0.128 0.000 1.060 465 A CB -0.452 18.604 19.000 0.095 0.000 1.137 465 A HN 0.633 nan 8.150 nan 0.000 0.542 466 E N 2.794 123.115 120.200 0.201 0.000 2.130 466 E HA 0.245 4.610 4.350 0.026 0.000 0.284 466 E C -0.610 176.101 176.600 0.186 0.000 1.018 466 E CA -0.335 56.230 56.400 0.274 0.000 0.817 466 E CB 0.363 30.367 29.700 0.505 0.000 1.078 466 E HN 0.632 nan 8.360 nan 0.000 0.396 467 D N 4.362 124.854 120.400 0.153 0.000 2.737 467 D HA -0.224 4.431 4.640 0.026 0.000 0.238 467 D C 0.587 176.932 176.300 0.075 0.000 1.157 467 D CA 0.623 54.690 54.000 0.112 0.000 0.694 467 D CB -1.091 39.787 40.800 0.130 0.000 1.021 467 D HN 0.673 nan 8.370 nan 0.000 0.420 468 I N 0.042 120.649 120.570 0.062 0.000 2.145 468 I HA -0.253 3.932 4.170 0.026 0.000 0.244 468 I C -0.498 175.635 176.117 0.027 0.000 1.075 468 I CA 1.435 62.756 61.300 0.035 0.000 1.332 468 I CB -0.960 37.061 38.000 0.035 0.000 1.033 468 I HN 0.296 nan 8.210 nan 0.000 0.410 469 P HA -0.148 nan 4.420 nan 0.000 0.221 469 P C 1.083 178.398 177.300 0.025 0.000 1.145 469 P CA 1.254 64.370 63.100 0.027 0.000 0.795 469 P CB 0.018 31.737 31.700 0.031 0.000 0.775 470 E N -1.424 118.795 120.200 0.031 0.000 2.481 470 E HA 0.075 4.440 4.350 0.026 0.000 0.198 470 E C 1.765 178.372 176.600 0.012 0.000 1.027 470 E CA 0.029 56.447 56.400 0.029 0.000 0.900 470 E CB -0.142 29.588 29.700 0.049 0.000 0.993 470 E HN 0.098 nan 8.360 nan 0.000 0.482 471 V N 1.394 121.306 119.914 -0.002 0.000 2.295 471 V HA -0.254 3.881 4.120 0.026 0.000 0.246 471 V C 2.441 178.507 176.094 -0.047 0.000 1.049 471 V CA 2.106 64.385 62.300 -0.036 0.000 1.024 471 V CB -0.696 31.092 31.823 -0.058 0.000 0.648 471 V HN 0.262 nan 8.190 nan 0.000 0.447 472 A N -0.102 122.698 122.820 -0.034 0.000 1.902 472 A HA -0.095 4.241 4.320 0.026 0.000 0.217 472 A C 2.388 179.956 177.584 -0.028 0.000 1.181 472 A CA 2.088 54.103 52.037 -0.037 0.000 0.623 472 A CB -0.760 18.227 19.000 -0.021 0.000 0.818 472 A HN 0.571 nan 8.150 nan 0.000 0.443 473 A N -1.301 121.513 122.820 -0.011 0.000 1.930 473 A HA -0.021 4.315 4.320 0.026 0.000 0.217 473 A C 2.229 179.814 177.584 0.001 0.000 1.175 473 A CA 2.109 54.146 52.037 -0.000 0.000 0.627 473 A CB -0.926 18.081 19.000 0.012 0.000 0.815 473 A HN 0.415 nan 8.150 nan 0.000 0.443 474 T N 0.171 114.720 114.554 -0.008 0.000 3.014 474 T HA 0.013 4.378 4.350 0.026 0.000 0.263 474 T C 0.319 174.999 174.700 -0.033 0.000 1.078 474 T CA 1.130 63.218 62.100 -0.021 0.000 1.135 474 T CB -0.274 68.569 68.868 -0.041 0.000 0.895 474 T HN 0.573 nan 8.240 nan 0.000 0.480 475 N N 2.041 120.723 118.700 -0.030 0.000 2.886 475 N HA 0.245 5.000 4.740 0.026 0.000 0.285 475 N C -2.969 172.539 175.510 -0.005 0.000 1.706 475 N CA -1.208 51.845 53.050 0.005 0.000 0.904 475 N CB 1.141 39.602 38.487 -0.042 0.000 1.224 475 N HN 0.229 nan 8.380 nan 0.000 0.488 476 P HA 0.001 nan 4.420 nan 0.000 0.267 476 P C -0.133 177.057 177.300 -0.184 0.000 1.205 476 P CA -0.191 62.870 63.100 -0.065 0.000 0.765 476 P CB 1.018 32.701 31.700 -0.028 0.000 0.828 477 V N 1.750 121.458 119.914 -0.343 0.000 2.612 477 V HA 0.639 4.775 4.120 0.026 0.000 0.301 477 V C -2.111 173.668 176.094 -0.524 0.000 1.046 477 V CA -2.367 59.505 62.300 -0.713 0.000 0.946 477 V CB 0.883 32.268 31.823 -0.730 0.000 1.003 477 V HN 0.428 nan 8.190 nan 0.000 0.459 478 P HA 0.243 nan 4.420 nan 0.000 0.276 478 P C 0.201 177.415 177.300 -0.142 0.000 1.244 478 P CA -0.236 62.630 63.100 -0.390 0.000 0.801 478 P CB 1.360 32.752 31.700 -0.513 0.000 1.006 479 Q N 2.214 121.972 119.800 -0.070 0.000 2.112 479 Q HA -0.204 4.152 4.340 0.026 0.000 0.206 479 Q C 2.007 178.033 176.000 0.043 0.000 0.987 479 Q CA 2.662 58.462 55.803 -0.004 0.000 0.858 479 Q CB -1.326 27.407 28.738 -0.008 0.000 0.905 479 Q HN 0.575 nan 8.270 nan 0.000 0.420 480 A N -0.915 121.950 122.820 0.075 0.000 1.972 480 A HA -0.171 4.164 4.320 0.026 0.000 0.219 480 A C 1.926 179.644 177.584 0.223 0.000 1.169 480 A CA 1.360 53.505 52.037 0.181 0.000 0.635 480 A CB -1.244 17.915 19.000 0.264 0.000 0.810 480 A HN 0.731 nan 8.150 nan 0.000 0.446 481 W N 0.446 121.790 121.300 0.073 0.000 2.381 481 W HA -0.144 4.533 4.660 0.027 0.000 0.301 481 W C 2.638 179.067 176.519 -0.149 0.000 1.205 481 W CA 1.829 59.122 57.345 -0.087 0.000 1.285 481 W CB -0.251 29.140 29.460 -0.115 0.000 1.133 481 W HN 0.274 nan 8.180 nan 0.000 0.521 482 S N -0.003 115.778 115.700 0.135 0.000 2.400 482 S HA -0.202 4.284 4.470 0.026 0.000 0.232 482 S C 1.338 175.828 174.600 -0.184 0.000 1.025 482 S CA 1.903 60.093 58.200 -0.018 0.000 0.993 482 S CB -0.549 62.703 63.200 0.087 0.000 0.808 482 S HN 0.256 nan 8.310 nan 0.000 0.478 483 D N 0.795 121.106 120.400 -0.148 0.000 2.347 483 D HA 0.109 4.764 4.640 0.026 0.000 0.213 483 D C 1.785 177.944 176.300 -0.236 0.000 0.985 483 D CA 0.187 54.099 54.000 -0.146 0.000 0.879 483 D CB -0.120 40.641 40.800 -0.064 0.000 0.919 483 D HN 0.399 nan 8.370 nan 0.000 0.526 484 L N 0.083 121.074 121.223 -0.388 0.000 2.012 484 L HA -0.211 4.144 4.340 0.026 0.000 0.210 484 L C 2.522 179.194 176.870 -0.330 0.000 1.073 484 L CA 1.056 55.627 54.840 -0.448 0.000 0.748 484 L CB -0.492 41.136 42.059 -0.718 0.000 0.891 484 L HN 0.137 nan 8.230 nan 0.000 0.431 485 c N -0.407 117.977 118.600 -0.359 0.000 2.453 485 c HA -0.055 4.531 4.570 0.026 0.000 0.277 485 c C 0.359 174.400 174.090 -0.082 0.000 1.262 485 c CA 0.537 56.750 56.329 -0.194 0.000 1.718 485 c CB -1.565 40.814 42.510 -0.219 0.000 2.031 485 c HN 0.361 nan 8.230 nan 0.000 0.480 486 P HA -0.083 nan 4.420 nan 0.000 0.216 486 P C 1.490 178.749 177.300 -0.068 0.000 1.150 486 P CA 1.853 64.911 63.100 -0.070 0.000 0.837 486 P CB -0.300 31.357 31.700 -0.072 0.000 0.786 487 T N -1.637 112.855 114.554 -0.105 0.000 2.737 487 T HA -0.197 4.168 4.350 0.026 0.000 0.265 487 T C 1.658 176.306 174.700 -0.087 0.000 1.038 487 T CA 1.241 63.258 62.100 -0.138 0.000 1.144 487 T CB -1.103 67.584 68.868 -0.301 0.000 0.866 487 T HN 0.083 nan 8.240 nan 0.000 0.434 488 Y N 2.141 122.342 120.300 -0.165 0.000 2.200 488 Y HA -0.121 4.442 4.550 0.020 0.000 0.290 488 Y C 1.932 177.808 175.900 -0.040 0.000 1.137 488 Y CA 1.317 59.359 58.100 -0.097 0.000 1.163 488 Y CB -0.280 38.120 38.460 -0.099 0.000 0.988 488 Y HN 0.122 nan 8.280 nan 0.000 0.518 489 D N -0.158 120.246 120.400 0.006 0.000 2.312 489 D HA -0.045 4.611 4.640 0.026 0.000 0.211 489 D C 1.919 178.159 176.300 -0.100 0.000 0.964 489 D CA 1.033 55.006 54.000 -0.046 0.000 0.877 489 D CB -0.223 40.592 40.800 0.025 0.000 0.924 489 D HN 0.477 nan 8.370 nan 0.000 0.515 490 A N 0.134 122.895 122.820 -0.099 0.000 2.169 490 A HA 0.092 4.427 4.320 0.026 0.000 0.212 490 A C 1.141 178.662 177.584 -0.104 0.000 1.153 490 A CA -0.034 51.953 52.037 -0.082 0.000 0.756 490 A CB -0.171 18.797 19.000 -0.053 0.000 0.813 490 A HN 0.140 nan 8.150 nan 0.000 0.471 491 L N 1.558 122.678 121.223 -0.173 0.000 2.426 491 L HA 0.183 4.539 4.340 0.026 0.000 0.271 491 L C 1.006 177.780 176.870 -0.161 0.000 1.169 491 L CA -0.434 54.303 54.840 -0.173 0.000 0.836 491 L CB 0.959 42.862 42.059 -0.259 0.000 1.112 491 L HN 0.392 nan 8.230 nan 0.000 0.465 492 S N 1.833 117.462 115.700 -0.118 0.000 2.585 492 S HA 0.200 4.686 4.470 0.026 0.000 0.273 492 S C -1.828 172.688 174.600 -0.140 0.000 1.339 492 S CA -1.133 57.000 58.200 -0.111 0.000 1.028 492 S CB 1.005 64.152 63.200 -0.089 0.000 0.906 492 S HN 0.420 nan 8.310 nan 0.000 0.528 493 P HA -0.128 nan 4.420 nan 0.000 0.217 493 P C 0.626 177.776 177.300 -0.251 0.000 1.151 493 P CA 1.312 64.343 63.100 -0.115 0.000 0.849 493 P CB -0.045 31.614 31.700 -0.068 0.000 0.787 494 D N -1.242 118.959 120.400 -0.332 0.000 2.371 494 D HA -0.073 4.583 4.640 0.026 0.000 0.221 494 D C 0.674 176.679 176.300 -0.491 0.000 0.986 494 D CA 0.890 54.520 54.000 -0.615 0.000 0.899 494 D CB -0.284 40.327 40.800 -0.316 0.000 0.902 494 D HN 0.230 nan 8.370 nan 0.000 0.530 495 D N 0.311 120.573 120.400 -0.229 0.000 2.363 495 D HA 0.060 4.716 4.640 0.026 0.000 0.214 495 D C 0.825 177.145 176.300 0.034 0.000 1.093 495 D CA 0.058 54.018 54.000 -0.066 0.000 0.837 495 D CB 0.636 41.409 40.800 -0.045 0.000 0.948 495 D HN 0.277 nan 8.370 nan 0.000 0.507 496 Q N 0.000 119.840 119.800 0.067 0.000 2.315 496 Q HA 0.000 4.355 4.340 0.026 0.000 0.214 496 Q CA 0.000 55.926 55.803 0.204 0.000 1.022 496 Q CB 0.000 28.852 28.738 0.189 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481