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 2vdz_1_A DATA FIRST_RESID 1 DATA SEQUENCE AIGPVADLTI SNGAVSPDGF SRQAILVNDV FPSPLITGNK GDRFQLNVID DATA SEQUENCE NMTNHTMLKS TSIHWHGFFQ HGTNWADGPA FVNQcPISTG HAFLYDFQVP DATA SEQUENCE DQAGTFWYHS HLSTQYcDGL RGPIVVYDPN DPHASLYDVD DDSTVITLAD DATA SEQUENCE WYHLAAKVGA PVPTADATLI NGLGRSAATL AADLAVITVT KGKRYRFRLV DATA SEQUENCE SLScDPNYTF SIDGHSLTVI EADSVNLKPH TVDSLQIFAA QRYSFVLNAD DATA SEQUENCE QDVDNYWIRA LPNSGTQNFA GGTNSAILRY DGAAPVEPTT SQTPSTNPLV DATA SEQUENCE ESALTTLKGT AAPGSPTPGG VDLALNMAFG FAGGNFTING ASFTPPTVPV DATA SEQUENCE LLQILSGAQS AADLLPAGSV YSLPANADIE ISLPATAAAP GFPHPFHLHG DATA SEQUENCE HVFAVVRSAG SSTYNYANPV YRDVVSTGAP GDNVTIRFRT DNPGPWFLHC DATA SEQUENCE HIDFHLEAGF AVVMAEDIPD 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 0.000 177.629 177.584 0.075 0.000 1.274 1 A CA 0.000 52.093 52.037 0.092 0.000 0.836 1 A CB 0.000 19.046 19.000 0.076 0.000 0.831 2 I N -2.930 117.692 120.570 0.087 0.000 2.797 2 I HA 0.892 5.162 4.170 0.166 0.000 0.307 2 I C 0.438 176.592 176.117 0.062 0.000 1.033 2 I CA -0.384 60.953 61.300 0.061 0.000 1.071 2 I CB 1.912 39.948 38.000 0.060 0.000 1.255 2 I HN 1.293 nan 8.210 nan 0.000 0.445 3 G N 3.742 112.550 108.800 0.013 0.000 2.603 3 G HA2 -0.063 3.996 3.960 0.166 0.000 0.686 3 G HA3 -0.063 3.996 3.960 0.166 0.000 0.686 3 G C -2.486 172.338 174.900 -0.126 0.000 1.286 3 G CA -0.244 44.836 45.100 -0.033 0.000 0.871 3 G HN 0.660 nan 8.290 nan 0.000 0.568 4 P HA 0.203 nan 4.420 nan 0.000 0.241 4 P C 0.390 177.458 177.300 -0.387 0.000 1.191 4 P CA 0.592 63.322 63.100 -0.616 0.000 0.771 4 P CB 0.351 31.232 31.700 -1.364 0.000 0.929 5 V N 0.803 120.567 119.914 -0.250 0.000 2.357 5 V HA 0.709 4.929 4.120 0.166 0.000 0.284 5 V C 0.122 176.161 176.094 -0.092 0.000 1.018 5 V CA -0.528 61.669 62.300 -0.172 0.000 0.841 5 V CB 0.878 32.604 31.823 -0.161 0.000 0.991 5 V HN 0.234 nan 8.190 nan 0.000 0.437 6 A N 3.768 126.553 122.820 -0.059 0.000 2.605 6 A HA 0.690 5.110 4.320 0.166 0.000 0.294 6 A C -1.534 176.060 177.584 0.016 0.000 1.062 6 A CA -0.762 51.266 52.037 -0.014 0.000 0.682 6 A CB 1.418 20.419 19.000 0.001 0.000 1.278 6 A HN 0.591 nan 8.150 nan 0.000 0.410 7 D N 0.876 121.298 120.400 0.037 0.000 2.302 7 D HA 0.522 5.261 4.640 0.166 0.000 0.248 7 D C -0.613 175.740 176.300 0.089 0.000 1.094 7 D CA 0.448 54.490 54.000 0.070 0.000 0.897 7 D CB 1.205 42.045 40.800 0.068 0.000 1.200 7 D HN 0.388 nan 8.370 nan 0.000 0.429 8 L N 2.156 123.455 121.223 0.127 0.000 2.353 8 L HA 0.250 4.690 4.340 0.166 0.000 0.270 8 L C -0.079 176.893 176.870 0.170 0.000 1.003 8 L CA -0.551 54.377 54.840 0.147 0.000 0.862 8 L CB 1.441 43.597 42.059 0.162 0.000 1.221 8 L HN 0.108 nan 8.230 nan 0.000 0.430 9 T N 4.156 118.800 114.554 0.151 0.000 2.743 9 T HA 0.474 4.924 4.350 0.166 0.000 0.293 9 T C 0.134 174.933 174.700 0.166 0.000 0.945 9 T CA -0.287 61.903 62.100 0.150 0.000 1.030 9 T CB 0.999 69.940 68.868 0.122 0.000 0.912 9 T HN 0.155 nan 8.240 nan 0.000 0.483 10 I N 4.038 124.714 120.570 0.178 0.000 2.336 10 I HA 0.529 4.799 4.170 0.166 0.000 0.292 10 I C 0.654 176.871 176.117 0.167 0.000 0.991 10 I CA -0.607 60.805 61.300 0.187 0.000 1.227 10 I CB 0.737 38.860 38.000 0.205 0.000 1.366 10 I HN 0.745 nan 8.210 nan 0.000 0.466 11 S N 5.846 121.645 115.700 0.164 0.000 2.705 11 S HA 0.610 5.180 4.470 0.166 0.000 0.280 11 S C -0.902 173.788 174.600 0.150 0.000 1.174 11 S CA -1.038 57.249 58.200 0.145 0.000 0.823 11 S CB 2.582 65.857 63.200 0.125 0.000 1.162 11 S HN 0.534 nan 8.310 nan 0.000 0.487 12 N N -0.224 118.554 118.700 0.130 0.000 2.417 12 N HA 0.803 5.643 4.740 0.166 0.000 0.300 12 N C -0.191 175.383 175.510 0.107 0.000 1.102 12 N CA -0.241 52.885 53.050 0.125 0.000 0.886 12 N CB 1.792 40.346 38.487 0.111 0.000 1.203 12 N HN 1.096 nan 8.380 nan 0.000 0.496 13 G N -1.039 107.824 108.800 0.104 0.000 2.451 13 G HA2 0.537 4.597 3.960 0.166 0.000 0.292 13 G HA3 0.537 4.597 3.960 0.166 0.000 0.292 13 G C -1.672 173.264 174.900 0.060 0.000 1.427 13 G CA -0.645 44.502 45.100 0.078 0.000 0.792 13 G HN 0.595 nan 8.290 nan 0.000 0.498 14 A N -0.791 122.049 122.820 0.032 0.000 2.388 14 A HA 0.755 5.175 4.320 0.166 0.000 0.257 14 A C 0.532 178.106 177.584 -0.018 0.000 1.095 14 A CA 0.290 52.328 52.037 0.002 0.000 0.791 14 A CB 0.493 19.480 19.000 -0.021 0.000 1.029 14 A HN 2.233 nan 8.150 nan 0.000 0.489 15 V N -0.233 119.644 119.914 -0.062 0.000 3.078 15 V HA 0.927 5.146 4.120 0.166 0.000 0.311 15 V C -0.196 175.819 176.094 -0.132 0.000 1.138 15 V CA 0.009 62.217 62.300 -0.153 0.000 1.007 15 V CB 2.013 33.555 31.823 -0.468 0.000 1.045 15 V HN 1.428 nan 8.190 nan 0.000 0.432 16 S N 0.451 116.067 115.700 -0.140 0.000 2.486 16 S HA 0.466 5.036 4.470 0.166 0.000 0.144 16 S C -1.857 172.693 174.600 -0.082 0.000 1.542 16 S CA -0.358 57.797 58.200 -0.075 0.000 1.262 16 S CB 0.867 64.036 63.200 -0.052 0.000 1.462 16 S HN 0.784 nan 8.310 nan 0.000 0.381 17 P HA 0.003 nan 4.420 nan 0.000 0.223 17 P C 0.273 177.537 177.300 -0.060 0.000 1.151 17 P CA 1.196 64.199 63.100 -0.161 0.000 0.787 17 P CB -0.071 31.411 31.700 -0.364 0.000 0.788 18 D N -2.068 118.342 120.400 0.017 0.000 2.571 18 D HA 0.200 4.940 4.640 0.166 0.000 0.239 18 D C 1.222 177.610 176.300 0.145 0.000 1.267 18 D CA -0.128 53.943 54.000 0.117 0.000 0.823 18 D CB -0.422 40.513 40.800 0.225 0.000 1.056 18 D HN 0.183 nan 8.370 nan 0.000 0.494 19 G N 0.273 109.133 108.800 0.099 0.000 2.179 19 G HA2 -0.276 3.783 3.960 0.166 0.000 0.260 19 G HA3 -0.276 3.783 3.960 0.166 0.000 0.260 19 G C -0.202 174.764 174.900 0.110 0.000 0.977 19 G CA 0.209 45.360 45.100 0.086 0.000 0.641 19 G HN 0.451 nan 8.290 nan 0.000 0.533 20 F N 2.112 122.040 119.950 -0.037 0.000 2.427 20 F HA 0.740 5.367 4.527 0.166 0.000 0.346 20 F C 0.319 176.074 175.800 -0.075 0.000 1.120 20 F CA -0.601 57.319 58.000 -0.132 0.000 1.033 20 F CB 1.986 40.720 39.000 -0.443 0.000 1.126 20 F HN 0.068 nan 8.300 nan 0.000 0.462 21 S N 6.456 121.730 115.700 -0.709 0.000 2.489 21 S HA 0.660 5.230 4.470 0.166 0.000 0.277 21 S C -0.560 173.722 174.600 -0.531 0.000 1.230 21 S CA -0.518 57.405 58.200 -0.461 0.000 1.053 21 S CB 0.120 63.122 63.200 -0.330 0.000 0.955 21 S HN 0.856 nan 8.310 nan 0.000 0.488 22 R N 2.997 123.412 120.500 -0.142 0.000 2.710 22 R HA 0.456 4.896 4.340 0.166 0.000 0.270 22 R C -1.377 174.953 176.300 0.050 0.000 1.021 22 R CA -1.115 54.983 56.100 -0.003 0.000 0.889 22 R CB 0.508 30.931 30.300 0.205 0.000 1.243 22 R HN 0.354 nan 8.270 nan 0.000 0.464 23 Q N 0.539 120.370 119.800 0.053 0.000 2.364 23 Q HA 0.502 4.942 4.340 0.166 0.000 0.267 23 Q C -0.427 175.641 176.000 0.113 0.000 0.999 23 Q CA 0.512 56.357 55.803 0.069 0.000 0.886 23 Q CB 1.629 30.402 28.738 0.059 0.000 1.243 23 Q HN 0.787 nan 8.270 nan 0.000 0.415 24 A N 2.487 125.386 122.820 0.131 0.000 2.594 24 A HA 0.701 5.120 4.320 0.166 0.000 0.307 24 A C -1.225 176.484 177.584 0.209 0.000 1.203 24 A CA -0.706 51.450 52.037 0.197 0.000 0.644 24 A CB 0.819 19.980 19.000 0.267 0.000 1.349 24 A HN 0.572 nan 8.150 nan 0.000 0.510 25 I N 1.124 121.868 120.570 0.291 0.000 2.339 25 I HA 0.383 4.653 4.170 0.166 0.000 0.290 25 I C -0.880 175.438 176.117 0.335 0.000 0.994 25 I CA -0.224 61.246 61.300 0.282 0.000 1.191 25 I CB 1.295 39.460 38.000 0.275 0.000 1.343 25 I HN 0.397 nan 8.210 nan 0.000 0.458 26 L N 6.679 128.061 121.223 0.264 0.000 2.343 26 L HA 0.622 5.061 4.340 0.166 0.000 0.275 26 L C -0.572 176.434 176.870 0.227 0.000 1.056 26 L CA -0.967 54.025 54.840 0.254 0.000 0.804 26 L CB 1.826 44.004 42.059 0.198 0.000 1.203 26 L HN 0.260 nan 8.230 nan 0.000 0.440 27 V N 2.123 122.168 119.914 0.218 0.000 2.483 27 V HA 0.281 4.500 4.120 0.166 0.000 0.297 27 V C -0.202 175.997 176.094 0.176 0.000 1.027 27 V CA -0.745 61.683 62.300 0.214 0.000 0.855 27 V CB 1.403 33.388 31.823 0.270 0.000 0.995 27 V HN 0.870 nan 8.190 nan 0.000 0.424 28 N N 3.488 122.281 118.700 0.155 0.000 2.716 28 N HA -0.212 4.628 4.740 0.166 0.000 0.250 28 N C 0.506 176.086 175.510 0.116 0.000 1.033 28 N CA 1.406 54.531 53.050 0.125 0.000 0.727 28 N CB -0.971 37.585 38.487 0.115 0.000 0.950 28 N HN 1.054 nan 8.380 nan 0.000 0.541 29 D N -2.806 117.669 120.400 0.124 0.000 3.059 29 D HA -0.194 4.546 4.640 0.166 0.000 0.220 29 D C -0.343 176.031 176.300 0.124 0.000 1.169 29 D CA 1.494 55.564 54.000 0.116 0.000 0.902 29 D CB -0.917 39.938 40.800 0.092 0.000 1.116 29 D HN 0.552 nan 8.370 nan 0.000 0.417 30 V N -2.721 117.278 119.914 0.142 0.000 2.962 30 V HA 0.883 5.102 4.120 0.166 0.000 0.313 30 V C -0.543 175.671 176.094 0.201 0.000 1.099 30 V CA -1.095 61.293 62.300 0.146 0.000 0.971 30 V CB 2.296 34.180 31.823 0.102 0.000 1.028 30 V HN 0.078 nan 8.190 nan 0.000 0.430 31 F N 4.332 124.308 119.950 0.044 0.000 2.556 31 F HA 0.914 5.540 4.527 0.165 0.000 0.314 31 F C -2.259 173.527 175.800 -0.024 0.000 1.106 31 F CA -1.741 56.268 58.000 0.016 0.000 0.911 31 F CB 2.233 41.228 39.000 -0.007 0.000 1.190 31 F HN 0.672 nan 8.300 nan 0.000 0.448 32 P HA 0.252 nan 4.420 nan 0.000 0.274 32 P C -0.948 176.108 177.300 -0.406 0.000 1.256 32 P CA -0.410 61.999 63.100 -1.151 0.000 0.795 32 P CB 0.773 31.947 31.700 -0.876 0.000 1.038 33 S N 1.642 117.166 115.700 -0.292 0.000 2.560 33 S HA 0.186 4.756 4.470 0.166 0.000 0.284 33 S C -1.830 172.808 174.600 0.063 0.000 1.327 33 S CA -0.596 57.599 58.200 -0.009 0.000 1.055 33 S CB -0.606 62.617 63.200 0.038 0.000 0.868 33 S HN 0.468 nan 8.310 nan 0.000 0.506 34 P HA 0.185 nan 4.420 nan 0.000 0.274 34 P C -0.449 177.005 177.300 0.256 0.000 1.237 34 P CA -0.747 62.456 63.100 0.171 0.000 0.793 34 P CB 0.429 32.224 31.700 0.157 0.000 0.977 35 L N 2.544 123.877 121.223 0.182 0.000 2.410 35 L HA 0.235 4.675 4.340 0.166 0.000 0.273 35 L C -0.297 176.706 176.870 0.222 0.000 1.152 35 L CA 0.232 55.196 54.840 0.207 0.000 0.855 35 L CB -0.539 41.606 42.059 0.142 0.000 1.129 35 L HN 0.203 nan 8.230 nan 0.000 0.463 36 I N 4.375 125.105 120.570 0.266 0.000 2.441 36 I HA 0.517 4.786 4.170 0.166 0.000 0.295 36 I C -0.011 176.264 176.117 0.263 0.000 0.994 36 I CA -0.440 60.997 61.300 0.228 0.000 1.144 36 I CB 1.920 40.034 38.000 0.190 0.000 1.314 36 I HN 0.775 nan 8.210 nan 0.000 0.445 37 T N 1.427 116.140 114.554 0.265 0.000 2.896 37 T HA 0.923 5.373 4.350 0.166 0.000 0.297 37 T C -0.394 174.466 174.700 0.268 0.000 1.108 37 T CA -0.766 61.513 62.100 0.298 0.000 1.004 37 T CB 2.360 71.438 68.868 0.350 0.000 1.159 37 T HN 0.896 nan 8.240 nan 0.000 0.499 38 G N 0.782 109.756 108.800 0.290 0.000 2.561 38 G HA2 0.571 4.631 3.960 0.166 0.000 0.310 38 G HA3 0.571 4.631 3.960 0.166 0.000 0.310 38 G C -1.923 173.083 174.900 0.177 0.000 1.292 38 G CA -0.905 44.235 45.100 0.067 0.000 0.811 38 G HN 0.804 nan 8.290 nan 0.000 0.482 39 N N 0.177 118.905 118.700 0.046 0.000 2.362 39 N HA 0.322 5.162 4.740 0.166 0.000 0.299 39 N C -0.438 175.104 175.510 0.053 0.000 1.170 39 N CA -0.741 52.365 53.050 0.092 0.000 0.825 39 N CB 2.367 40.880 38.487 0.043 0.000 1.299 39 N HN 0.641 nan 8.380 nan 0.000 0.502 40 K N 0.135 120.579 120.400 0.074 0.000 2.530 40 K HA -0.010 4.409 4.320 0.166 0.000 0.280 40 K C 0.923 177.521 176.600 -0.004 0.000 1.004 40 K CA 1.336 57.648 56.287 0.043 0.000 1.071 40 K CB -0.191 32.342 32.500 0.055 0.000 0.876 40 K HN 0.761 nan 8.250 nan 0.000 0.487 41 G N 2.981 111.765 108.800 -0.027 0.000 2.212 41 G HA2 -0.246 3.814 3.960 0.166 0.000 0.266 41 G HA3 -0.246 3.814 3.960 0.166 0.000 0.266 41 G C -0.171 174.680 174.900 -0.081 0.000 0.978 41 G CA 0.369 45.441 45.100 -0.047 0.000 0.632 41 G HN 0.753 nan 8.290 nan 0.000 0.537 42 D N -0.024 120.309 120.400 -0.113 0.000 2.378 42 D HA 0.349 5.089 4.640 0.166 0.000 0.238 42 D C 0.971 177.124 176.300 -0.245 0.000 1.180 42 D CA -0.059 53.805 54.000 -0.227 0.000 0.895 42 D CB 0.446 41.000 40.800 -0.410 0.000 1.192 42 D HN 0.448 nan 8.370 nan 0.000 0.438 43 R N 1.574 121.896 120.500 -0.297 0.000 2.234 43 R HA 0.220 4.659 4.340 0.166 0.000 0.324 43 R C -0.859 175.123 176.300 -0.530 0.000 1.054 43 R CA -0.400 55.513 56.100 -0.312 0.000 0.912 43 R CB 0.146 30.312 30.300 -0.223 0.000 1.030 43 R HN 0.176 nan 8.270 nan 0.000 0.455 44 F N 2.844 122.364 119.950 -0.717 0.000 2.408 44 F HA 0.259 4.884 4.527 0.163 0.000 0.344 44 F C 0.356 175.673 175.800 -0.806 0.000 1.112 44 F CA -0.068 57.411 58.000 -0.868 0.000 1.096 44 F CB 1.783 39.956 39.000 -1.378 0.000 1.129 44 F HN 0.341 nan 8.300 nan 0.000 0.486 45 Q N 5.627 125.201 119.800 -0.378 0.000 2.464 45 Q HA 0.412 4.852 4.340 0.166 0.000 0.256 45 Q C -1.346 174.552 176.000 -0.169 0.000 1.020 45 Q CA -0.355 55.296 55.803 -0.253 0.000 0.716 45 Q CB 2.009 30.640 28.738 -0.178 0.000 1.230 45 Q HN 0.602 nan 8.270 nan 0.000 0.494 46 L N 2.497 123.631 121.223 -0.148 0.000 2.295 46 L HA 0.391 4.830 4.340 0.166 0.000 0.281 46 L C -0.223 176.729 176.870 0.137 0.000 1.018 46 L CA -0.779 54.037 54.840 -0.039 0.000 0.841 46 L CB 0.948 42.892 42.059 -0.193 0.000 1.218 46 L HN 0.370 nan 8.230 nan 0.000 0.424 47 N N 2.855 121.622 118.700 0.112 0.000 2.437 47 N HA 0.224 5.064 4.740 0.166 0.000 0.243 47 N C -0.872 174.772 175.510 0.223 0.000 1.041 47 N CA -0.250 52.885 53.050 0.143 0.000 0.940 47 N CB 1.178 39.713 38.487 0.079 0.000 1.133 47 N HN 0.226 nan 8.380 nan 0.000 0.506 48 V N 5.691 125.810 119.914 0.341 0.000 2.368 48 V HA 0.303 4.523 4.120 0.166 0.000 0.266 48 V C 0.464 176.741 176.094 0.304 0.000 1.045 48 V CA -0.460 62.065 62.300 0.374 0.000 0.899 48 V CB 0.194 32.353 31.823 0.560 0.000 1.006 48 V HN 0.541 nan 8.190 nan 0.000 0.470 49 I N 4.262 124.974 120.570 0.236 0.000 2.328 49 I HA 0.309 4.579 4.170 0.166 0.000 0.287 49 I C -0.240 175.995 176.117 0.195 0.000 1.012 49 I CA -0.321 61.097 61.300 0.197 0.000 1.195 49 I CB 1.380 39.469 38.000 0.149 0.000 1.350 49 I HN 0.482 nan 8.210 nan 0.000 0.464 50 D N 6.034 126.558 120.400 0.206 0.000 2.380 50 D HA 0.175 4.914 4.640 0.166 0.000 0.230 50 D C 0.146 176.544 176.300 0.164 0.000 1.154 50 D CA -0.073 54.045 54.000 0.197 0.000 0.859 50 D CB 0.637 41.569 40.800 0.218 0.000 1.045 50 D HN 0.310 nan 8.370 nan 0.000 0.495 51 N N 3.508 122.296 118.700 0.147 0.000 2.234 51 N HA 0.126 4.965 4.740 0.166 0.000 0.227 51 N C -0.036 175.547 175.510 0.122 0.000 1.151 51 N CA -0.159 52.964 53.050 0.122 0.000 0.865 51 N CB 0.199 38.749 38.487 0.106 0.000 1.066 51 N HN 0.472 nan 8.380 nan 0.000 0.515 52 M N 0.224 119.908 119.600 0.139 0.000 2.228 52 M HA 0.048 4.628 4.480 0.166 0.000 0.351 52 M C 1.168 177.544 176.300 0.127 0.000 1.233 52 M CA 0.567 55.949 55.300 0.137 0.000 1.129 52 M CB 0.758 33.449 32.600 0.153 0.000 1.604 52 M HN 0.067 nan 8.290 nan 0.000 0.457 53 T N -2.524 112.100 114.554 0.116 0.000 3.040 53 T HA 0.143 4.592 4.350 0.166 0.000 0.266 53 T C 0.289 175.058 174.700 0.115 0.000 1.005 53 T CA -0.453 61.711 62.100 0.106 0.000 0.906 53 T CB -0.004 68.916 68.868 0.085 0.000 1.082 53 T HN 0.585 nan 8.240 nan 0.000 0.531 54 N N 1.530 120.304 118.700 0.124 0.000 2.485 54 N HA 0.160 5.000 4.740 0.166 0.000 0.243 54 N C 0.391 175.989 175.510 0.146 0.000 0.987 54 N CA -0.130 52.993 53.050 0.123 0.000 0.940 54 N CB 1.183 39.729 38.487 0.100 0.000 1.122 54 N HN 0.329 nan 8.380 nan 0.000 0.509 55 H N 2.694 121.806 119.070 0.070 0.000 2.423 55 H HA 0.018 4.673 4.556 0.165 0.000 0.297 55 H C 1.007 176.377 175.328 0.072 0.000 1.075 55 H CA 2.076 58.167 56.048 0.072 0.000 1.342 55 H CB 0.386 30.182 29.762 0.057 0.000 1.395 55 H HN 0.461 nan 8.280 nan 0.000 0.530 56 T N 0.258 114.773 114.554 -0.065 0.000 2.833 56 T HA -0.116 4.333 4.350 0.166 0.000 0.269 56 T C 1.582 176.234 174.700 -0.081 0.000 1.054 56 T CA 1.633 63.669 62.100 -0.106 0.000 1.135 56 T CB -0.098 68.764 68.868 -0.009 0.000 0.869 56 T HN 0.418 nan 8.240 nan 0.000 0.466 57 M N 0.532 120.123 119.600 -0.015 0.000 2.383 57 M HA 0.356 4.935 4.480 0.166 0.000 0.247 57 M C -0.620 175.708 176.300 0.047 0.000 1.117 57 M CA 0.040 55.355 55.300 0.024 0.000 0.995 57 M CB 0.223 32.863 32.600 0.067 0.000 1.480 57 M HN 0.085 nan 8.290 nan 0.000 0.485 58 L N 0.755 121.988 121.223 0.017 0.000 1.827 58 L HA -0.224 4.216 4.340 0.166 0.000 0.479 58 L C 0.659 177.624 176.870 0.158 0.000 1.002 58 L CA -0.108 54.783 54.840 0.085 0.000 1.221 58 L CB -0.390 41.734 42.059 0.109 0.000 1.417 58 L HN 0.355 nan 8.230 nan 0.000 0.749 59 K N 0.600 121.127 120.400 0.211 0.000 2.217 59 K HA 0.029 4.449 4.320 0.166 0.000 0.202 59 K C 0.876 177.598 176.600 0.203 0.000 1.051 59 K CA 0.978 57.384 56.287 0.198 0.000 0.952 59 K CB 0.072 32.688 32.500 0.194 0.000 0.736 59 K HN 0.562 nan 8.250 nan 0.000 0.453 60 S N 0.241 116.081 115.700 0.233 0.000 2.645 60 S HA 0.230 4.799 4.470 0.166 0.000 0.266 60 S C 0.190 174.901 174.600 0.186 0.000 1.258 60 S CA -0.442 57.900 58.200 0.237 0.000 0.990 60 S CB 1.696 65.104 63.200 0.347 0.000 0.967 60 S HN 0.125 nan 8.310 nan 0.000 0.556 61 T N 0.019 114.665 114.554 0.154 0.000 2.802 61 T HA 0.606 5.055 4.350 0.166 0.000 0.311 61 T C -1.743 173.030 174.700 0.121 0.000 1.405 61 T CA -0.434 61.753 62.100 0.146 0.000 1.016 61 T CB 1.630 70.608 68.868 0.183 0.000 1.352 61 T HN 0.517 nan 8.240 nan 0.000 0.498 62 S N 1.182 116.960 115.700 0.129 0.000 2.543 62 S HA 0.717 5.287 4.470 0.166 0.000 0.273 62 S C -1.770 172.877 174.600 0.078 0.000 1.152 62 S CA -0.593 57.701 58.200 0.157 0.000 0.910 62 S CB 0.688 63.921 63.200 0.055 0.000 1.105 62 S HN 0.594 nan 8.310 nan 0.000 0.465 63 I N 3.896 124.442 120.570 -0.040 0.000 2.436 63 I HA 0.370 4.640 4.170 0.166 0.000 0.289 63 I C -0.534 175.036 176.117 -0.912 0.000 1.010 63 I CA -0.732 60.249 61.300 -0.531 0.000 1.098 63 I CB 1.756 39.296 38.000 -0.767 0.000 1.266 63 I HN 0.696 nan 8.210 nan 0.000 0.434 64 H N 5.563 124.060 119.070 -0.955 0.000 2.473 64 H HA 0.363 5.018 4.556 0.164 0.000 0.327 64 H C -1.606 172.989 175.328 -1.222 0.000 1.105 64 H CA -0.820 54.682 56.048 -0.911 0.000 1.280 64 H CB 0.795 30.279 29.762 -0.464 0.000 1.450 64 H HN 0.380 nan 8.280 nan 0.000 0.492 65 W N 5.262 126.049 121.300 -0.855 0.000 2.289 65 W HA 0.195 4.950 4.660 0.158 0.000 0.342 65 W C -0.145 175.624 176.519 -1.250 0.000 0.958 65 W CA -0.916 55.913 57.345 -0.861 0.000 1.492 65 W CB -0.256 28.874 29.460 -0.550 0.000 1.336 65 W HN 0.688 nan 8.180 nan 0.000 0.371 66 H N 1.931 120.257 119.070 -1.239 0.000 3.026 66 H HA 0.374 5.030 4.556 0.166 0.000 0.289 66 H C 1.348 176.384 175.328 -0.487 0.000 1.022 66 H CA 1.741 57.166 56.048 -1.038 0.000 1.477 66 H CB 0.379 29.528 29.762 -1.021 0.000 1.510 66 H HN 0.775 nan 8.280 nan 0.000 0.535 67 G N 4.183 112.772 108.800 -0.352 0.000 2.253 67 G HA2 -0.244 3.816 3.960 0.166 0.000 0.209 67 G HA3 -0.244 3.816 3.960 0.166 0.000 0.209 67 G C 0.172 175.089 174.900 0.028 0.000 0.997 67 G CA -0.200 44.906 45.100 0.011 0.000 0.640 67 G HN 0.581 nan 8.290 nan 0.000 0.496 68 F N 1.164 120.984 119.950 -0.217 0.000 2.456 68 F HA 0.455 5.080 4.527 0.164 0.000 0.358 68 F C 1.654 177.304 175.800 -0.250 0.000 1.095 68 F CA -1.239 56.514 58.000 -0.411 0.000 1.216 68 F CB 0.473 39.150 39.000 -0.539 0.000 1.125 68 F HN -0.061 nan 8.300 nan 0.000 0.549 69 F N 0.315 120.267 119.950 0.003 0.000 2.216 69 F HA -0.153 4.473 4.527 0.165 0.000 0.300 69 F C 1.516 177.213 175.800 -0.172 0.000 1.085 69 F CA 0.509 58.403 58.000 -0.177 0.000 1.326 69 F CB -0.720 38.195 39.000 -0.141 0.000 1.027 69 F HN 0.431 nan 8.300 nan 0.000 0.497 70 Q N -0.519 119.343 119.800 0.103 0.000 2.475 70 Q HA -0.314 4.125 4.340 0.166 0.000 0.280 70 Q C -0.192 175.934 176.000 0.209 0.000 1.234 70 Q CA 0.817 56.670 55.803 0.083 0.000 0.873 70 Q CB -2.812 26.002 28.738 0.127 0.000 1.256 70 Q HN 0.647 nan 8.270 nan 0.000 0.475 71 H N -0.453 118.694 119.070 0.129 0.000 3.046 71 H HA 0.284 4.940 4.556 0.166 0.000 0.303 71 H C 1.564 176.962 175.328 0.118 0.000 1.002 71 H CA 2.148 58.280 56.048 0.139 0.000 1.460 71 H CB 0.220 30.039 29.762 0.095 0.000 1.493 71 H HN 0.477 nan 8.280 nan 0.000 0.559 72 G N 3.466 112.220 108.800 -0.077 0.000 2.205 72 G HA2 -0.325 3.735 3.960 0.166 0.000 0.261 72 G HA3 -0.325 3.735 3.960 0.166 0.000 0.261 72 G C 0.690 175.627 174.900 0.062 0.000 0.980 72 G CA 0.681 45.800 45.100 0.031 0.000 0.632 72 G HN 1.027 nan 8.290 nan 0.000 0.533 73 T N -2.133 112.403 114.554 -0.031 0.000 3.533 73 T HA 0.388 4.838 4.350 0.166 0.000 0.275 73 T C 1.058 175.464 174.700 -0.490 0.000 1.000 73 T CA 0.604 62.491 62.100 -0.355 0.000 1.015 73 T CB 0.335 68.982 68.868 -0.368 0.000 1.153 73 T HN 0.222 nan 8.240 nan 0.000 0.504 74 N N 2.007 120.560 118.700 -0.246 0.000 2.192 74 N HA -0.139 4.701 4.740 0.166 0.000 0.188 74 N C 1.736 177.085 175.510 -0.269 0.000 1.013 74 N CA 1.902 54.771 53.050 -0.301 0.000 0.863 74 N CB -0.153 38.038 38.487 -0.493 0.000 0.990 74 N HN 0.875 nan 8.380 nan 0.000 0.430 75 W N 0.283 121.442 121.300 -0.236 0.000 2.424 75 W HA 0.042 4.805 4.660 0.172 0.000 0.264 75 W C 1.193 177.791 176.519 0.132 0.000 1.229 75 W CA 0.619 57.778 57.345 -0.311 0.000 1.208 75 W CB -0.683 28.220 29.460 -0.928 0.000 1.127 75 W HN 0.056 nan 8.180 nan 0.000 0.588 76 A N 0.576 123.129 122.820 -0.446 0.000 2.308 76 A HA 0.013 4.433 4.320 0.166 0.000 0.217 76 A C 1.487 179.262 177.584 0.319 0.000 1.216 76 A CA 0.901 52.886 52.037 -0.086 0.000 0.864 76 A CB -0.620 17.963 19.000 -0.694 0.000 0.902 76 A HN 0.166 nan 8.150 nan 0.000 0.499 77 D N -0.831 119.686 120.400 0.195 0.000 2.183 77 D HA 0.136 4.876 4.640 0.166 0.000 0.203 77 D C 1.583 178.060 176.300 0.294 0.000 0.969 77 D CA 2.239 56.407 54.000 0.280 0.000 0.842 77 D CB 0.093 41.080 40.800 0.311 0.000 0.957 77 D HN 0.492 nan 8.370 nan 0.000 0.484 78 G N -1.050 107.890 108.800 0.233 0.000 2.491 78 G HA2 -0.198 3.861 3.960 0.166 0.000 0.203 78 G HA3 -0.198 3.861 3.960 0.166 0.000 0.203 78 G C -1.963 172.907 174.900 -0.049 0.000 1.052 78 G CA -0.229 44.945 45.100 0.123 0.000 0.675 78 G HN 0.286 nan 8.290 nan 0.000 0.504 79 P HA 0.418 nan 4.420 nan 0.000 0.258 79 P C 0.385 177.540 177.300 -0.241 0.000 1.187 79 P CA 0.926 63.733 63.100 -0.490 0.000 0.767 79 P CB 0.716 31.932 31.700 -0.806 0.000 0.770 80 A N 4.581 127.326 122.820 -0.125 0.000 2.548 80 A HA 0.175 4.595 4.320 0.166 0.000 0.247 80 A C 0.556 177.999 177.584 -0.235 0.000 1.067 80 A CA 0.135 51.958 52.037 -0.356 0.000 0.757 80 A CB -1.243 17.574 19.000 -0.305 0.000 0.996 80 A HN 0.680 nan 8.150 nan 0.000 0.504 81 F N -0.250 119.636 119.950 -0.106 0.000 2.871 81 F HA -0.284 4.344 4.527 0.169 0.000 0.326 81 F C 1.112 176.852 175.800 -0.100 0.000 0.675 81 F CA 0.822 58.772 58.000 -0.084 0.000 1.188 81 F CB -1.913 37.069 39.000 -0.031 0.000 1.567 81 F HN 0.310 nan 8.300 nan 0.000 0.325 82 V N -1.062 118.772 119.914 -0.134 0.000 2.854 82 V HA 0.067 4.287 4.120 0.166 0.000 0.236 82 V C 1.673 177.667 176.094 -0.167 0.000 1.157 82 V CA 1.615 63.758 62.300 -0.261 0.000 1.187 82 V CB -0.040 31.353 31.823 -0.716 0.000 0.949 82 V HN 0.358 nan 8.190 nan 0.000 0.488 83 N N 0.491 119.106 118.700 -0.143 0.000 2.294 83 N HA 0.137 4.977 4.740 0.166 0.000 0.186 83 N C 0.345 176.040 175.510 0.308 0.000 1.107 83 N CA 0.130 53.193 53.050 0.023 0.000 0.884 83 N CB 1.032 39.495 38.487 -0.039 0.000 1.030 83 N HN 0.714 nan 8.380 nan 0.000 0.482 84 Q N -1.007 118.850 119.800 0.094 0.000 2.633 84 Q HA 0.393 4.833 4.340 0.166 0.000 0.289 84 Q C -1.456 174.291 176.000 -0.422 0.000 0.940 84 Q CA -0.800 54.969 55.803 -0.057 0.000 0.785 84 Q CB 0.963 29.693 28.738 -0.013 0.000 1.467 84 Q HN -0.135 nan 8.270 nan 0.000 0.401 85 c N 1.942 120.186 118.600 -0.594 0.000 2.604 85 c HA 0.452 5.122 4.570 0.166 0.000 0.396 85 c C -1.987 171.664 174.090 -0.732 0.000 1.282 85 c CA -0.493 55.383 56.329 -0.755 0.000 2.292 85 c CB -0.313 41.879 42.510 -0.530 0.000 2.633 85 c HN 0.635 nan 8.230 nan 0.000 0.620 86 P HA 0.119 nan 4.420 nan 0.000 0.268 86 P C -0.452 176.680 177.300 -0.280 0.000 1.208 86 P CA 0.257 63.042 63.100 -0.525 0.000 0.777 86 P CB 0.217 31.583 31.700 -0.556 0.000 0.875 87 I N 1.017 121.523 120.570 -0.107 0.000 2.648 87 I HA -0.008 4.261 4.170 0.166 0.000 0.284 87 I C 0.806 176.984 176.117 0.102 0.000 1.153 87 I CA 0.585 61.885 61.300 0.001 0.000 1.426 87 I CB 0.079 38.170 38.000 0.152 0.000 1.381 87 I HN 0.267 nan 8.210 nan 0.000 0.571 88 S N 3.690 119.444 115.700 0.090 0.000 2.585 88 S HA 0.170 4.740 4.470 0.166 0.000 0.277 88 S C 0.198 174.958 174.600 0.267 0.000 1.241 88 S CA -0.586 57.713 58.200 0.166 0.000 1.041 88 S CB 1.467 64.680 63.200 0.022 0.000 0.987 88 S HN 0.720 nan 8.310 nan 0.000 0.512 89 T N 1.197 115.895 114.554 0.240 0.000 2.940 89 T HA 0.390 4.840 4.350 0.166 0.000 0.309 89 T C 1.383 176.222 174.700 0.231 0.000 1.056 89 T CA 1.252 63.481 62.100 0.215 0.000 1.137 89 T CB -0.339 68.627 68.868 0.163 0.000 0.976 89 T HN 1.164 nan 8.240 nan 0.000 0.547 90 G N 3.235 112.120 108.800 0.142 0.000 2.159 90 G HA2 -0.164 3.896 3.960 0.166 0.000 0.256 90 G HA3 -0.164 3.896 3.960 0.166 0.000 0.256 90 G C 0.157 174.973 174.900 -0.140 0.000 0.977 90 G CA 0.454 45.558 45.100 0.006 0.000 0.652 90 G HN 0.897 nan 8.290 nan 0.000 0.531 91 H N -0.379 118.749 119.070 0.097 0.000 2.797 91 H HA 0.792 5.374 4.556 0.043 0.000 0.362 91 H C 0.181 175.592 175.328 0.138 0.000 1.183 91 H CA -0.061 56.049 56.048 0.104 0.000 1.197 91 H CB 2.105 31.924 29.762 0.094 0.000 1.835 91 H HN 0.637 nan 8.280 nan 0.000 0.567 92 A N 1.007 124.000 122.820 0.288 0.000 2.469 92 A HA 0.634 5.053 4.320 0.166 0.000 0.299 92 A C -1.923 175.867 177.584 0.344 0.000 1.098 92 A CA -0.532 51.666 52.037 0.268 0.000 0.737 92 A CB 1.939 21.053 19.000 0.189 0.000 1.312 92 A HN 0.459 nan 8.150 nan 0.000 0.414 93 F N 0.927 120.965 119.950 0.147 0.000 2.588 93 F HA 0.558 5.165 4.527 0.133 0.000 0.318 93 F C -1.672 174.191 175.800 0.105 0.000 1.155 93 F CA -0.992 57.058 58.000 0.083 0.000 0.967 93 F CB 1.741 40.751 39.000 0.017 0.000 1.236 93 F HN 0.511 nan 8.300 nan 0.000 0.455 94 L N 7.366 128.221 121.223 -0.614 0.000 2.260 94 L HA 0.428 4.868 4.340 0.166 0.000 0.289 94 L C -1.566 174.931 176.870 -0.622 0.000 1.057 94 L CA -0.135 54.455 54.840 -0.415 0.000 0.811 94 L CB -0.014 41.922 42.059 -0.204 0.000 1.184 94 L HN 0.522 nan 8.230 nan 0.000 0.429 95 Y N 3.734 123.949 120.300 -0.142 0.000 2.404 95 Y HA 0.367 5.024 4.550 0.178 0.000 0.344 95 Y C -0.003 175.876 175.900 -0.036 0.000 0.995 95 Y CA -0.290 57.849 58.100 0.065 0.000 1.201 95 Y CB 0.724 39.346 38.460 0.271 0.000 1.151 95 Y HN 0.539 nan 8.280 nan 0.000 0.517 96 D N 5.638 126.168 120.400 0.216 0.000 2.469 96 D HA 0.369 5.109 4.640 0.166 0.000 0.251 96 D C -1.273 175.079 176.300 0.088 0.000 1.173 96 D CA -0.393 53.638 54.000 0.051 0.000 0.882 96 D CB 0.270 41.156 40.800 0.143 0.000 1.129 96 D HN 0.284 nan 8.370 nan 0.000 0.549 97 F N 0.318 120.205 119.950 -0.105 0.000 2.711 97 F HA 0.604 5.228 4.527 0.162 0.000 0.313 97 F C -1.086 174.638 175.800 -0.127 0.000 1.141 97 F CA -1.007 56.902 58.000 -0.151 0.000 0.941 97 F CB 1.062 39.899 39.000 -0.271 0.000 1.349 97 F HN 0.054 nan 8.300 nan 0.000 0.464 98 Q N 0.611 120.484 119.800 0.122 0.000 2.399 98 Q HA 0.674 5.114 4.340 0.166 0.000 0.276 98 Q C -0.968 175.028 176.000 -0.007 0.000 1.098 98 Q CA -1.408 54.400 55.803 0.007 0.000 0.827 98 Q CB 3.208 31.943 28.738 -0.005 0.000 1.386 98 Q HN 0.774 nan 8.270 nan 0.000 0.443 99 V N -1.625 118.223 119.914 -0.111 0.000 2.446 99 V HA 0.391 4.611 4.120 0.166 0.000 0.257 99 V C -2.556 173.464 176.094 -0.122 0.000 1.036 99 V CA -2.044 60.108 62.300 -0.247 0.000 1.196 99 V CB -0.179 31.281 31.823 -0.605 0.000 1.446 99 V HN 0.543 nan 8.190 nan 0.000 0.558 100 P HA 0.250 nan 4.420 nan 0.000 0.268 100 P C -0.145 177.165 177.300 0.016 0.000 1.205 100 P CA 0.687 63.780 63.100 -0.011 0.000 0.771 100 P CB 0.751 32.455 31.700 0.007 0.000 0.858 101 D N -0.519 119.896 120.400 0.024 0.000 3.059 101 D HA -0.165 4.575 4.640 0.166 0.000 0.220 101 D C -0.215 176.122 176.300 0.062 0.000 1.169 101 D CA 1.269 55.303 54.000 0.056 0.000 0.902 101 D CB -1.183 39.675 40.800 0.096 0.000 1.116 101 D HN 0.622 nan 8.370 nan 0.000 0.417 102 Q N -0.722 119.090 119.800 0.020 0.000 2.347 102 Q HA 0.778 5.218 4.340 0.166 0.000 0.271 102 Q C -0.750 175.332 176.000 0.137 0.000 1.064 102 Q CA -0.648 55.186 55.803 0.053 0.000 0.800 102 Q CB 2.902 31.607 28.738 -0.056 0.000 1.304 102 Q HN 0.182 nan 8.270 nan 0.000 0.438 103 A N 0.985 123.941 122.820 0.227 0.000 2.566 103 A HA 0.967 5.386 4.320 0.166 0.000 0.297 103 A C -0.506 177.213 177.584 0.225 0.000 1.059 103 A CA 0.135 52.328 52.037 0.260 0.000 0.691 103 A CB 1.865 20.955 19.000 0.150 0.000 1.282 103 A HN 0.895 nan 8.150 nan 0.000 0.401 104 G N -0.396 108.542 108.800 0.229 0.000 2.334 104 G HA2 0.504 4.564 3.960 0.166 0.000 0.249 104 G HA3 0.504 4.564 3.960 0.166 0.000 0.249 104 G C -0.747 174.075 174.900 -0.129 0.000 1.327 104 G CA 0.124 45.186 45.100 -0.063 0.000 0.979 104 G HN 1.273 nan 8.290 nan 0.000 0.471 105 T N 0.963 115.270 114.554 -0.413 0.000 2.794 105 T HA 0.755 5.205 4.350 0.166 0.000 0.280 105 T C -0.945 173.416 174.700 -0.566 0.000 0.987 105 T CA 0.100 62.018 62.100 -0.303 0.000 0.993 105 T CB 1.030 69.757 68.868 -0.236 0.000 0.939 105 T HN 0.429 nan 8.240 nan 0.000 0.449 106 F N 1.047 120.940 119.950 -0.094 0.000 2.849 106 F HA 0.832 5.460 4.527 0.168 0.000 0.341 106 F C -0.883 174.955 175.800 0.063 0.000 1.185 106 F CA -1.049 56.885 58.000 -0.111 0.000 1.007 106 F CB 1.554 40.306 39.000 -0.413 0.000 1.454 106 F HN 0.641 nan 8.300 nan 0.000 0.518 107 W N 0.535 121.793 121.300 -0.069 0.000 3.066 107 W HA 0.582 5.343 4.660 0.169 0.000 0.330 107 W C -2.483 173.995 176.519 -0.067 0.000 1.253 107 W CA -1.919 55.372 57.345 -0.091 0.000 1.187 107 W CB 0.246 29.575 29.460 -0.219 0.000 1.434 107 W HN 0.631 nan 8.180 nan 0.000 0.572 108 Y N 0.582 120.819 120.300 -0.105 0.000 2.485 108 Y HA 0.802 5.452 4.550 0.167 0.000 0.345 108 Y C -0.749 174.925 175.900 -0.378 0.000 0.998 108 Y CA -1.195 56.624 58.100 -0.468 0.000 1.059 108 Y CB 1.764 40.020 38.460 -0.340 0.000 1.234 108 Y HN 0.688 nan 8.280 nan 0.000 0.461 109 H N -1.115 117.611 119.070 -0.574 0.000 3.042 109 H HA 0.470 5.127 4.556 0.167 0.000 0.346 109 H C -1.110 174.069 175.328 -0.248 0.000 1.294 109 H CA -1.129 54.651 56.048 -0.446 0.000 1.141 109 H CB 1.015 30.284 29.762 -0.822 0.000 1.872 109 H HN 0.781 nan 8.280 nan 0.000 0.541 110 S N 0.435 116.202 115.700 0.111 0.000 2.558 110 S HA -0.070 4.500 4.470 0.166 0.000 0.293 110 S C 0.018 174.760 174.600 0.236 0.000 1.292 110 S CA -0.082 58.208 58.200 0.151 0.000 1.063 110 S CB -0.120 63.215 63.200 0.226 0.000 0.831 110 S HN 0.814 nan 8.310 nan 0.000 0.499 111 H N 4.103 123.220 119.070 0.078 0.000 2.505 111 H HA 0.373 5.028 4.556 0.165 0.000 0.260 111 H C -0.904 174.488 175.328 0.107 0.000 1.168 111 H CA -0.391 55.731 56.048 0.123 0.000 0.945 111 H CB 0.106 29.887 29.762 0.032 0.000 1.800 111 H HN 0.467 nan 8.280 nan 0.000 0.586 112 L N 0.885 122.237 121.223 0.215 0.000 2.319 112 L HA 0.335 4.774 4.340 0.166 0.000 0.281 112 L C 0.692 177.660 176.870 0.163 0.000 1.005 112 L CA 0.473 55.421 54.840 0.181 0.000 0.828 112 L CB 1.156 43.293 42.059 0.130 0.000 1.227 112 L HN 0.294 nan 8.230 nan 0.000 0.415 113 S N 3.129 118.935 115.700 0.176 0.000 3.711 113 S HA -0.308 4.262 4.470 0.166 0.000 0.625 113 S C 0.945 175.561 174.600 0.027 0.000 2.458 113 S CA 1.899 60.170 58.200 0.119 0.000 4.059 113 S CB -1.441 61.831 63.200 0.121 0.000 0.257 113 S HN 1.386 nan 8.310 nan 0.000 0.974 114 T N 0.058 114.602 114.554 -0.017 0.000 3.223 114 T HA 0.379 4.828 4.350 0.166 0.000 0.259 114 T C 1.247 175.874 174.700 -0.123 0.000 1.015 114 T CA 0.854 62.861 62.100 -0.155 0.000 0.908 114 T CB 0.353 69.127 68.868 -0.156 0.000 1.054 114 T HN 0.609 nan 8.240 nan 0.000 0.567 115 Q N 0.838 120.644 119.800 0.010 0.000 2.170 115 Q HA -0.193 4.247 4.340 0.166 0.000 0.203 115 Q C 1.849 177.930 176.000 0.135 0.000 0.976 115 Q CA 1.700 57.551 55.803 0.081 0.000 0.858 115 Q CB -0.343 28.476 28.738 0.134 0.000 0.907 115 Q HN 0.946 nan 8.270 nan 0.000 0.433 116 Y N -1.656 118.684 120.300 0.067 0.000 2.352 116 Y HA -0.128 4.521 4.550 0.165 0.000 0.292 116 Y C 1.956 177.944 175.900 0.146 0.000 1.136 116 Y CA 0.782 58.952 58.100 0.117 0.000 1.227 116 Y CB -0.980 37.551 38.460 0.117 0.000 0.991 116 Y HN 0.126 nan 8.280 nan 0.000 0.545 117 c N 0.973 119.437 118.600 -0.227 0.000 2.419 117 c HA -0.136 4.534 4.570 0.166 0.000 0.281 117 c C 1.801 175.955 174.090 0.106 0.000 1.336 117 c CA 1.007 57.259 56.329 -0.128 0.000 1.770 117 c CB -0.895 41.426 42.510 -0.316 0.000 1.929 117 c HN 0.565 nan 8.230 nan 0.000 0.509 118 D N -0.235 120.239 120.400 0.122 0.000 2.349 118 D HA 0.195 4.935 4.640 0.166 0.000 0.224 118 D C 1.748 178.296 176.300 0.413 0.000 1.029 118 D CA 1.223 55.329 54.000 0.177 0.000 0.879 118 D CB 0.080 40.950 40.800 0.116 0.000 0.906 118 D HN 0.645 nan 8.370 nan 0.000 0.528 119 G N 0.441 109.552 108.800 0.518 0.000 2.273 119 G HA2 -0.193 3.867 3.960 0.166 0.000 0.162 119 G HA3 -0.193 3.867 3.960 0.166 0.000 0.162 119 G C 0.194 175.363 174.900 0.447 0.000 1.006 119 G CA -0.479 45.041 45.100 0.700 0.000 0.704 119 G HN 0.320 nan 8.290 nan 0.000 0.487 120 L N 2.497 123.935 121.223 0.358 0.000 2.387 120 L HA 0.611 5.051 4.340 0.166 0.000 0.267 120 L C 0.512 177.501 176.870 0.199 0.000 1.197 120 L CA -0.496 54.505 54.840 0.268 0.000 1.070 120 L CB -0.344 41.869 42.059 0.257 0.000 1.349 120 L HN 0.418 nan 8.230 nan 0.000 0.422 121 R N 2.431 122.963 120.500 0.053 0.000 2.647 121 R HA 0.684 5.124 4.340 0.166 0.000 0.260 121 R C -1.227 174.879 176.300 -0.323 0.000 1.154 121 R CA -0.832 55.222 56.100 -0.077 0.000 1.029 121 R CB 0.865 31.332 30.300 0.277 0.000 1.262 121 R HN 0.358 nan 8.270 nan 0.000 0.437 122 G N 2.213 110.547 108.800 -0.778 0.000 2.690 122 G HA2 0.706 4.765 3.960 0.166 0.000 0.291 122 G HA3 0.706 4.765 3.960 0.166 0.000 0.291 122 G C -3.111 171.649 174.900 -0.235 0.000 1.403 122 G CA -1.565 43.207 45.100 -0.546 0.000 0.864 122 G HN 0.387 nan 8.290 nan 0.000 0.480 123 P HA 0.543 nan 4.420 nan 0.000 0.277 123 P C -0.746 176.715 177.300 0.268 0.000 1.240 123 P CA -0.344 62.826 63.100 0.117 0.000 0.798 123 P CB 1.831 33.548 31.700 0.029 0.000 0.979 124 I N 0.939 121.657 120.570 0.247 0.000 2.582 124 I HA 0.340 4.609 4.170 0.166 0.000 0.292 124 I C -0.543 175.689 176.117 0.192 0.000 1.066 124 I CA -1.144 60.307 61.300 0.252 0.000 1.053 124 I CB 2.527 40.664 38.000 0.229 0.000 1.241 124 I HN -0.020 nan 8.210 nan 0.000 0.421 125 V N 6.480 126.465 119.914 0.118 0.000 2.487 125 V HA 0.391 4.610 4.120 0.166 0.000 0.298 125 V C -0.280 175.781 176.094 -0.055 0.000 1.028 125 V CA -0.726 61.531 62.300 -0.072 0.000 0.860 125 V CB 2.095 33.667 31.823 -0.418 0.000 0.991 125 V HN 0.387 nan 8.190 nan 0.000 0.427 126 V N 5.658 125.619 119.914 0.078 0.000 2.294 126 V HA 0.384 4.603 4.120 0.166 0.000 0.272 126 V C -0.526 175.580 176.094 0.020 0.000 1.027 126 V CA -0.707 61.679 62.300 0.143 0.000 0.823 126 V CB 0.446 32.425 31.823 0.259 0.000 1.030 126 V HN 0.717 nan 8.190 nan 0.000 0.457 127 Y N 2.157 122.553 120.300 0.161 0.000 2.397 127 Y HA 0.310 4.959 4.550 0.166 0.000 0.335 127 Y C 0.700 176.657 175.900 0.095 0.000 1.213 127 Y CA -0.009 58.160 58.100 0.115 0.000 1.391 127 Y CB 0.640 39.148 38.460 0.080 0.000 1.293 127 Y HN 0.517 nan 8.280 nan 0.000 0.557 128 D N 3.955 124.507 120.400 0.253 0.000 2.414 128 D HA 0.220 4.959 4.640 0.166 0.000 0.232 128 D C -1.863 174.515 176.300 0.130 0.000 1.070 128 D CA -2.576 51.517 54.000 0.155 0.000 0.839 128 D CB 1.598 42.471 40.800 0.122 0.000 1.079 128 D HN 0.223 nan 8.370 nan 0.000 0.521 129 P HA -0.039 nan 4.420 nan 0.000 0.226 129 P C -0.258 177.059 177.300 0.029 0.000 1.153 129 P CA 0.646 63.775 63.100 0.048 0.000 0.777 129 P CB 0.350 32.064 31.700 0.024 0.000 0.794 130 N N -0.060 118.658 118.700 0.030 0.000 2.401 130 N HA 0.050 4.889 4.740 0.166 0.000 0.264 130 N C -0.208 175.309 175.510 0.013 0.000 1.238 130 N CA -0.338 52.718 53.050 0.010 0.000 0.889 130 N CB -0.043 38.445 38.487 0.000 0.000 1.196 130 N HN -0.031 nan 8.380 nan 0.000 0.511 131 D N 1.695 122.121 120.400 0.044 0.000 2.662 131 D HA -0.056 4.684 4.640 0.166 0.000 0.233 131 D C -1.279 175.018 176.300 -0.005 0.000 1.129 131 D CA -0.768 53.266 54.000 0.056 0.000 0.851 131 D CB 1.109 41.998 40.800 0.148 0.000 1.152 131 D HN 0.162 nan 8.370 nan 0.000 0.507 132 P HA -0.094 nan 4.420 nan 0.000 0.222 132 P C 0.270 177.466 177.300 -0.174 0.000 1.147 132 P CA 1.239 64.238 63.100 -0.168 0.000 0.790 132 P CB 0.109 31.638 31.700 -0.285 0.000 0.780 133 H N -1.893 117.203 119.070 0.044 0.000 2.549 133 H HA 0.380 5.036 4.556 0.166 0.000 0.279 133 H C 1.833 177.092 175.328 -0.116 0.000 1.018 133 H CA 0.079 56.155 56.048 0.046 0.000 1.175 133 H CB 0.180 30.041 29.762 0.166 0.000 1.485 133 H HN 0.018 nan 8.280 nan 0.000 0.543 134 A N 0.825 123.585 122.820 -0.101 0.000 1.940 134 A HA -0.230 4.190 4.320 0.166 0.000 0.219 134 A C 2.351 179.561 177.584 -0.622 0.000 1.176 134 A CA 1.861 53.640 52.037 -0.430 0.000 0.631 134 A CB -0.598 18.294 19.000 -0.180 0.000 0.814 134 A HN 0.487 nan 8.150 nan 0.000 0.446 135 S N -0.590 114.926 115.700 -0.308 0.000 2.603 135 S HA 0.124 4.693 4.470 0.166 0.000 0.229 135 S C 1.402 175.874 174.600 -0.213 0.000 0.972 135 S CA 0.773 58.834 58.200 -0.232 0.000 0.935 135 S CB -0.491 62.641 63.200 -0.113 0.000 0.769 135 S HN 0.472 nan 8.310 nan 0.000 0.536 136 L N 0.223 121.296 121.223 -0.250 0.000 2.558 136 L HA 0.281 4.721 4.340 0.166 0.000 0.225 136 L C 0.237 177.098 176.870 -0.015 0.000 1.128 136 L CA -0.042 54.757 54.840 -0.068 0.000 0.868 136 L CB -0.337 41.771 42.059 0.082 0.000 1.006 136 L HN 0.599 nan 8.230 nan 0.000 0.454 137 Y N -5.060 115.208 120.300 -0.053 0.000 2.597 137 Y HA 0.410 5.059 4.550 0.166 0.000 0.340 137 Y C -0.055 175.754 175.900 -0.152 0.000 1.097 137 Y CA -1.290 56.739 58.100 -0.118 0.000 1.037 137 Y CB 0.631 39.006 38.460 -0.140 0.000 1.305 137 Y HN -0.207 nan 8.280 nan 0.000 0.463 138 D N 0.682 121.060 120.400 -0.037 0.000 2.380 138 D HA 0.154 4.893 4.640 0.166 0.000 0.212 138 D C -0.375 175.845 176.300 -0.133 0.000 1.021 138 D CA 0.866 54.789 54.000 -0.129 0.000 0.884 138 D CB 1.414 42.086 40.800 -0.213 0.000 1.001 138 D HN 0.261 nan 8.370 nan 0.000 0.506 139 V N 1.355 121.137 119.914 -0.221 0.000 2.577 139 V HA 0.377 4.596 4.120 0.166 0.000 0.303 139 V C -1.196 174.784 176.094 -0.190 0.000 1.042 139 V CA -0.787 61.364 62.300 -0.248 0.000 0.872 139 V CB 2.443 33.983 31.823 -0.471 0.000 0.998 139 V HN -0.105 nan 8.190 nan 0.000 0.423 140 D N 3.338 123.683 120.400 -0.092 0.000 2.318 140 D HA 0.528 5.268 4.640 0.166 0.000 0.233 140 D C -1.117 175.189 176.300 0.010 0.000 1.348 140 D CA -0.152 53.794 54.000 -0.090 0.000 0.983 140 D CB 1.326 42.087 40.800 -0.066 0.000 1.416 140 D HN 0.744 nan 8.370 nan 0.000 0.558 141 D N 0.798 121.221 120.400 0.038 0.000 2.970 141 D HA 0.215 4.954 4.640 0.166 0.000 0.344 141 D C 0.348 176.715 176.300 0.113 0.000 1.365 141 D CA -0.417 53.623 54.000 0.067 0.000 0.910 141 D CB 0.040 40.838 40.800 -0.003 0.000 1.445 141 D HN -0.071 nan 8.370 nan 0.000 0.532 142 D N -0.481 119.979 120.400 0.099 0.000 2.149 142 D HA -0.117 4.622 4.640 0.166 0.000 0.198 142 D C 1.843 178.190 176.300 0.079 0.000 0.990 142 D CA 2.418 56.477 54.000 0.097 0.000 0.839 142 D CB -0.344 40.503 40.800 0.078 0.000 0.948 142 D HN 0.402 nan 8.370 nan 0.000 0.460 143 S N -0.679 115.065 115.700 0.073 0.000 2.481 143 S HA -0.093 4.476 4.470 0.166 0.000 0.231 143 S C 1.769 176.450 174.600 0.134 0.000 0.996 143 S CA 1.307 59.558 58.200 0.085 0.000 0.942 143 S CB -0.522 62.726 63.200 0.080 0.000 0.768 143 S HN 0.328 nan 8.310 nan 0.000 0.520 144 T N -0.765 113.856 114.554 0.111 0.000 3.086 144 T HA 0.363 4.813 4.350 0.166 0.000 0.250 144 T C 0.268 175.067 174.700 0.164 0.000 1.074 144 T CA -0.350 61.840 62.100 0.149 0.000 0.988 144 T CB -0.263 68.497 68.868 -0.180 0.000 0.988 144 T HN 0.138 nan 8.240 nan 0.000 0.530 145 V N 2.648 122.614 119.914 0.087 0.000 2.488 145 V HA 0.408 4.628 4.120 0.166 0.000 0.277 145 V C 0.072 176.169 176.094 0.005 0.000 1.046 145 V CA -0.600 61.715 62.300 0.025 0.000 0.986 145 V CB 0.541 32.373 31.823 0.014 0.000 0.989 145 V HN 0.473 nan 8.190 nan 0.000 0.475 146 I N 4.938 125.479 120.570 -0.049 0.000 2.382 146 I HA 0.395 4.664 4.170 0.166 0.000 0.286 146 I C 0.351 176.379 176.117 -0.149 0.000 1.002 146 I CA -0.305 60.940 61.300 -0.092 0.000 1.135 146 I CB 2.051 39.984 38.000 -0.112 0.000 1.288 146 I HN 0.692 nan 8.210 nan 0.000 0.448 147 T N 5.113 119.577 114.554 -0.151 0.000 2.902 147 T HA 0.755 5.205 4.350 0.166 0.000 0.283 147 T C -0.525 174.045 174.700 -0.217 0.000 1.009 147 T CA -0.737 61.239 62.100 -0.207 0.000 1.051 147 T CB 1.494 70.241 68.868 -0.202 0.000 0.999 147 T HN 0.352 nan 8.240 nan 0.000 0.474 148 L N 1.935 122.993 121.223 -0.276 0.000 2.346 148 L HA 0.833 5.272 4.340 0.166 0.000 0.276 148 L C -0.063 176.658 176.870 -0.247 0.000 1.006 148 L CA -1.174 53.465 54.840 -0.335 0.000 0.817 148 L CB 1.779 43.553 42.059 -0.475 0.000 1.272 148 L HN 1.036 nan 8.230 nan 0.000 0.421 149 A N 1.554 124.270 122.820 -0.173 0.000 2.574 149 A HA 0.628 5.048 4.320 0.166 0.000 0.297 149 A C -1.696 175.984 177.584 0.160 0.000 1.062 149 A CA -0.785 51.276 52.037 0.039 0.000 0.686 149 A CB 1.589 20.632 19.000 0.070 0.000 1.285 149 A HN 0.709 nan 8.150 nan 0.000 0.403 150 D N 0.891 121.454 120.400 0.272 0.000 2.255 150 D HA 0.361 5.101 4.640 0.166 0.000 0.249 150 D C -0.475 175.953 176.300 0.213 0.000 1.078 150 D CA -0.218 53.893 54.000 0.186 0.000 0.896 150 D CB 1.170 42.060 40.800 0.150 0.000 1.194 150 D HN 0.601 nan 8.370 nan 0.000 0.429 151 W N 2.240 123.358 121.300 -0.304 0.000 2.915 151 W HA 0.420 5.179 4.660 0.164 0.000 0.337 151 W C -1.942 174.285 176.519 -0.487 0.000 1.102 151 W CA -0.903 56.328 57.345 -0.190 0.000 1.224 151 W CB 1.795 31.265 29.460 0.016 0.000 1.416 151 W HN 0.323 nan 8.180 nan 0.000 0.503 152 Y N 2.653 122.519 120.300 -0.723 0.000 2.425 152 Y HA 0.229 4.878 4.550 0.166 0.000 0.344 152 Y C 1.128 176.743 175.900 -0.475 0.000 0.969 152 Y CA -0.687 57.108 58.100 -0.508 0.000 1.052 152 Y CB 1.815 40.059 38.460 -0.361 0.000 1.215 152 Y HN 0.458 nan 8.280 nan 0.000 0.451 153 H N 1.426 120.373 119.070 -0.205 0.000 2.502 153 H HA 0.154 4.809 4.556 0.166 0.000 0.283 153 H C -0.325 174.992 175.328 -0.019 0.000 1.015 153 H CA 0.291 56.240 56.048 -0.164 0.000 1.298 153 H CB 0.448 29.867 29.762 -0.572 0.000 1.411 153 H HN 0.294 nan 8.280 nan 0.000 0.556 154 L N 0.874 122.127 121.223 0.050 0.000 2.325 154 L HA 0.469 4.909 4.340 0.166 0.000 0.278 154 L C 0.351 177.190 176.870 -0.053 0.000 1.023 154 L CA -1.100 53.749 54.840 0.016 0.000 0.811 154 L CB 1.556 43.608 42.059 -0.012 0.000 1.249 154 L HN 0.080 nan 8.230 nan 0.000 0.431 155 A N 1.871 124.665 122.820 -0.044 0.000 2.429 155 A HA 0.410 4.829 4.320 0.166 0.000 0.242 155 A C 1.332 178.859 177.584 -0.095 0.000 1.088 155 A CA 0.553 52.548 52.037 -0.070 0.000 0.784 155 A CB 0.284 19.270 19.000 -0.024 0.000 1.038 155 A HN 0.974 nan 8.150 nan 0.000 0.501 156 A N 0.391 123.161 122.820 -0.084 0.000 1.917 156 A HA -0.155 4.264 4.320 0.166 0.000 0.219 156 A C 1.815 179.377 177.584 -0.036 0.000 1.182 156 A CA 2.014 54.021 52.037 -0.051 0.000 0.633 156 A CB -0.411 18.583 19.000 -0.010 0.000 0.819 156 A HN 0.780 nan 8.150 nan 0.000 0.448 157 K N -0.726 119.655 120.400 -0.031 0.000 2.404 157 K HA 0.218 4.637 4.320 0.166 0.000 0.194 157 K C 1.160 177.740 176.600 -0.033 0.000 1.023 157 K CA 0.410 56.682 56.287 -0.026 0.000 1.094 157 K CB 0.375 32.858 32.500 -0.029 0.000 0.841 157 K HN 0.366 nan 8.250 nan 0.000 0.523 158 V N -0.109 119.778 119.914 -0.044 0.000 2.690 158 V HA 0.054 4.273 4.120 0.166 0.000 0.240 158 V C 1.512 177.575 176.094 -0.051 0.000 1.078 158 V CA 1.156 63.435 62.300 -0.035 0.000 1.102 158 V CB 0.273 32.086 31.823 -0.017 0.000 0.800 158 V HN 0.330 nan 8.190 nan 0.000 0.479 159 G N -0.523 108.225 108.800 -0.086 0.000 2.882 159 G HA2 0.619 4.678 3.960 0.166 0.000 0.164 159 G HA3 0.619 4.678 3.960 0.166 0.000 0.164 159 G C -0.327 174.490 174.900 -0.138 0.000 1.429 159 G CA 0.260 45.297 45.100 -0.104 0.000 1.059 159 G HN 0.581 nan 8.290 nan 0.000 0.581 160 A N -0.763 121.940 122.820 -0.195 0.000 2.337 160 A HA 0.716 5.136 4.320 0.166 0.000 0.331 160 A C -1.556 175.897 177.584 -0.217 0.000 1.137 160 A CA -1.194 50.747 52.037 -0.161 0.000 0.807 160 A CB 1.401 20.302 19.000 -0.165 0.000 1.250 160 A HN 0.275 nan 8.150 nan 0.000 0.468 161 P HA -0.058 nan 4.420 nan 0.000 0.216 161 P C -0.009 177.141 177.300 -0.250 0.000 1.150 161 P CA 1.188 64.219 63.100 -0.115 0.000 0.837 161 P CB 0.109 31.804 31.700 -0.009 0.000 0.786 162 V N 1.566 121.295 119.914 -0.307 0.000 2.327 162 V HA 0.267 4.486 4.120 0.166 0.000 0.272 162 V C -2.087 173.700 176.094 -0.512 0.000 1.019 162 V CA -1.616 60.392 62.300 -0.488 0.000 0.814 162 V CB 1.030 32.791 31.823 -0.102 0.000 1.040 162 V HN 0.053 nan 8.190 nan 0.000 0.440 163 P HA 0.412 nan 4.420 nan 0.000 0.277 163 P C -0.318 176.889 177.300 -0.156 0.000 1.271 163 P CA -0.183 62.651 63.100 -0.443 0.000 0.795 163 P CB 1.042 32.387 31.700 -0.592 0.000 1.101 164 T N 0.174 114.732 114.554 0.008 0.000 2.794 164 T HA 0.537 4.987 4.350 0.166 0.000 0.280 164 T C 0.008 174.749 174.700 0.068 0.000 0.987 164 T CA -0.302 61.828 62.100 0.049 0.000 0.993 164 T CB 1.029 69.866 68.868 -0.052 0.000 0.939 164 T HN 0.532 nan 8.240 nan 0.000 0.449 165 A N 2.300 125.055 122.820 -0.109 0.000 2.477 165 A HA 0.217 4.637 4.320 0.166 0.000 0.246 165 A C 1.114 178.473 177.584 -0.375 0.000 1.078 165 A CA -0.295 51.397 52.037 -0.575 0.000 0.770 165 A CB 0.083 18.765 19.000 -0.530 0.000 1.011 165 A HN 0.887 nan 8.150 nan 0.000 0.494 166 D N 0.732 120.848 120.400 -0.473 0.000 2.289 166 D HA 0.255 4.995 4.640 0.166 0.000 0.207 166 D C 0.610 176.754 176.300 -0.259 0.000 0.966 166 D CA 1.695 55.426 54.000 -0.448 0.000 0.868 166 D CB 0.300 40.531 40.800 -0.947 0.000 0.943 166 D HN 0.712 nan 8.370 nan 0.000 0.514 167 A N -0.160 122.563 122.820 -0.161 0.000 2.589 167 A HA 0.483 4.903 4.320 0.166 0.000 0.296 167 A C -0.719 176.876 177.584 0.019 0.000 1.062 167 A CA -0.598 51.428 52.037 -0.018 0.000 0.686 167 A CB 1.505 20.566 19.000 0.101 0.000 1.282 167 A HN -0.126 nan 8.150 nan 0.000 0.404 168 T N 2.423 116.993 114.554 0.027 0.000 2.771 168 T HA 0.539 4.988 4.350 0.166 0.000 0.291 168 T C -0.193 174.505 174.700 -0.004 0.000 0.954 168 T CA 0.036 62.151 62.100 0.024 0.000 1.045 168 T CB 0.061 68.931 68.868 0.003 0.000 0.917 168 T HN 0.415 nan 8.240 nan 0.000 0.484 169 L N 4.446 125.660 121.223 -0.015 0.000 2.295 169 L HA 0.584 5.023 4.340 0.166 0.000 0.285 169 L C -0.220 176.591 176.870 -0.098 0.000 1.035 169 L CA -0.789 54.030 54.840 -0.035 0.000 0.806 169 L CB 1.095 43.145 42.059 -0.015 0.000 1.214 169 L HN 0.486 nan 8.230 nan 0.000 0.426 170 I N 3.885 124.410 120.570 -0.075 0.000 2.389 170 I HA 0.267 4.536 4.170 0.166 0.000 0.288 170 I C -0.135 175.942 176.117 -0.068 0.000 0.999 170 I CA -0.609 60.642 61.300 -0.081 0.000 1.129 170 I CB 1.415 39.392 38.000 -0.038 0.000 1.288 170 I HN 0.656 nan 8.210 nan 0.000 0.444 171 N N 4.992 123.637 118.700 -0.090 0.000 2.710 171 N HA -0.207 4.633 4.740 0.166 0.000 0.249 171 N C 0.918 176.372 175.510 -0.093 0.000 1.059 171 N CA 1.416 54.414 53.050 -0.087 0.000 0.720 171 N CB -0.986 37.468 38.487 -0.055 0.000 0.983 171 N HN 1.159 nan 8.380 nan 0.000 0.544 172 G N -2.046 106.685 108.800 -0.115 0.000 2.162 172 G HA2 -0.299 3.761 3.960 0.166 0.000 0.260 172 G HA3 -0.299 3.761 3.960 0.166 0.000 0.260 172 G C -0.131 174.747 174.900 -0.037 0.000 0.976 172 G CA 0.598 45.629 45.100 -0.115 0.000 0.655 172 G HN 0.454 nan 8.290 nan 0.000 0.533 173 L N -0.642 120.561 121.223 -0.033 0.000 2.401 173 L HA 0.856 5.296 4.340 0.166 0.000 0.266 173 L C 0.540 177.411 176.870 0.001 0.000 0.991 173 L CA -0.391 54.443 54.840 -0.009 0.000 0.818 173 L CB 2.297 44.358 42.059 0.004 0.000 1.321 173 L HN 0.493 nan 8.230 nan 0.000 0.413 174 G N 1.458 110.269 108.800 0.019 0.000 2.441 174 G HA2 0.502 4.562 3.960 0.166 0.000 0.294 174 G HA3 0.502 4.562 3.960 0.166 0.000 0.294 174 G C -1.955 172.979 174.900 0.056 0.000 1.393 174 G CA -0.875 44.246 45.100 0.035 0.000 0.796 174 G HN 0.406 nan 8.290 nan 0.000 0.494 175 R N -0.225 120.308 120.500 0.054 0.000 2.664 175 R HA 0.712 5.152 4.340 0.166 0.000 0.286 175 R C 0.274 176.606 176.300 0.054 0.000 0.967 175 R CA -0.503 55.634 56.100 0.061 0.000 0.933 175 R CB 1.952 32.281 30.300 0.049 0.000 1.146 175 R HN 0.746 nan 8.270 nan 0.000 0.468 176 S N 0.604 116.351 115.700 0.080 0.000 2.747 176 S HA 0.448 5.018 4.470 0.166 0.000 0.300 176 S C 1.090 175.706 174.600 0.028 0.000 1.121 176 S CA -0.337 57.891 58.200 0.047 0.000 0.995 176 S CB 1.724 64.989 63.200 0.108 0.000 1.113 176 S HN 0.658 nan 8.310 nan 0.000 0.547 177 A N 0.633 123.449 122.820 -0.007 0.000 1.978 177 A HA 0.165 4.585 4.320 0.166 0.000 0.220 177 A C 2.013 179.605 177.584 0.014 0.000 1.170 177 A CA 1.821 53.850 52.037 -0.012 0.000 0.636 177 A CB -1.395 17.584 19.000 -0.036 0.000 0.810 177 A HN 1.449 nan 8.150 nan 0.000 0.448 178 A N -0.963 121.880 122.820 0.038 0.000 2.387 178 A HA 0.371 4.791 4.320 0.166 0.000 0.234 178 A C 1.136 178.764 177.584 0.073 0.000 1.253 178 A CA 1.031 53.099 52.037 0.052 0.000 0.894 178 A CB -0.359 18.674 19.000 0.055 0.000 0.963 178 A HN 0.693 nan 8.150 nan 0.000 0.508 179 T N -2.553 112.050 114.554 0.082 0.000 3.516 179 T HA 0.405 4.855 4.350 0.166 0.000 0.245 179 T C 0.673 175.415 174.700 0.069 0.000 1.077 179 T CA -0.235 61.917 62.100 0.088 0.000 1.222 179 T CB -0.552 68.390 68.868 0.124 0.000 1.045 179 T HN 0.148 nan 8.240 nan 0.000 0.585 180 L N 0.228 121.483 121.223 0.053 0.000 2.549 180 L HA 0.200 4.639 4.340 0.166 0.000 0.229 180 L C 2.357 179.259 176.870 0.054 0.000 1.158 180 L CA 0.867 55.734 54.840 0.046 0.000 0.842 180 L CB -0.251 41.828 42.059 0.033 0.000 0.952 180 L HN 0.632 nan 8.230 nan 0.000 0.452 181 A N -0.305 122.547 122.820 0.054 0.000 2.387 181 A HA 0.505 4.925 4.320 0.166 0.000 0.234 181 A C 1.118 178.735 177.584 0.054 0.000 1.253 181 A CA 0.020 52.089 52.037 0.052 0.000 0.894 181 A CB -0.118 18.908 19.000 0.043 0.000 0.963 181 A HN 0.205 nan 8.150 nan 0.000 0.508 182 A N 0.484 123.340 122.820 0.061 0.000 2.445 182 A HA 0.408 4.827 4.320 0.166 0.000 0.242 182 A C -0.472 177.146 177.584 0.057 0.000 1.075 182 A CA -0.296 51.776 52.037 0.059 0.000 0.777 182 A CB 0.010 19.052 19.000 0.070 0.000 1.013 182 A HN 0.342 nan 8.150 nan 0.000 0.493 183 D N 0.729 121.157 120.400 0.046 0.000 2.455 183 D HA 0.314 5.053 4.640 0.166 0.000 0.241 183 D C -0.022 176.308 176.300 0.049 0.000 1.138 183 D CA 0.763 54.788 54.000 0.042 0.000 0.877 183 D CB 0.358 41.176 40.800 0.030 0.000 1.187 183 D HN 0.380 nan 8.370 nan 0.000 0.451 184 L N 1.452 122.710 121.223 0.058 0.000 2.343 184 L HA 0.493 4.932 4.340 0.166 0.000 0.275 184 L C 0.748 177.642 176.870 0.041 0.000 1.056 184 L CA -1.095 53.787 54.840 0.070 0.000 0.804 184 L CB 1.182 43.315 42.059 0.123 0.000 1.203 184 L HN 0.344 nan 8.230 nan 0.000 0.440 185 A N 2.604 125.444 122.820 0.033 0.000 2.462 185 A HA 0.469 4.889 4.320 0.166 0.000 0.243 185 A C -0.319 177.268 177.584 0.005 0.000 1.076 185 A CA -0.182 51.861 52.037 0.011 0.000 0.773 185 A CB 0.276 19.275 19.000 -0.003 0.000 1.010 185 A HN 0.418 nan 8.150 nan 0.000 0.493 186 V N 3.488 123.396 119.914 -0.009 0.000 2.448 186 V HA 0.387 4.607 4.120 0.166 0.000 0.295 186 V C -0.635 175.439 176.094 -0.033 0.000 1.025 186 V CA -0.223 62.062 62.300 -0.025 0.000 0.859 186 V CB 1.333 33.142 31.823 -0.022 0.000 0.988 186 V HN 0.689 nan 8.190 nan 0.000 0.431 187 I N 4.302 124.836 120.570 -0.060 0.000 2.355 187 I HA 0.447 4.716 4.170 0.166 0.000 0.288 187 I C 0.557 176.622 176.117 -0.088 0.000 0.999 187 I CA 0.081 61.337 61.300 -0.074 0.000 1.163 187 I CB 2.111 40.013 38.000 -0.164 0.000 1.316 187 I HN 0.762 nan 8.210 nan 0.000 0.454 188 T N 4.441 118.957 114.554 -0.063 0.000 2.875 188 T HA 0.835 5.285 4.350 0.166 0.000 0.284 188 T C -0.198 174.382 174.700 -0.200 0.000 0.995 188 T CA -0.705 61.340 62.100 -0.091 0.000 1.060 188 T CB 1.460 70.308 68.868 -0.032 0.000 0.967 188 T HN 0.443 nan 8.240 nan 0.000 0.476 189 V N -0.617 119.117 119.914 -0.301 0.000 3.007 189 V HA 0.828 5.047 4.120 0.166 0.000 0.311 189 V C -0.446 175.509 176.094 -0.231 0.000 1.120 189 V CA -0.922 61.078 62.300 -0.500 0.000 0.980 189 V CB 1.868 33.159 31.823 -0.887 0.000 1.033 189 V HN 0.970 nan 8.190 nan 0.000 0.429 190 T N 2.572 117.141 114.554 0.027 0.000 2.771 190 T HA 0.389 4.838 4.350 0.166 0.000 0.281 190 T C -0.137 174.621 174.700 0.097 0.000 0.982 190 T CA -0.396 61.752 62.100 0.080 0.000 0.978 190 T CB 1.081 70.026 68.868 0.128 0.000 0.930 190 T HN 0.944 nan 8.240 nan 0.000 0.447 191 K N 1.770 122.269 120.400 0.165 0.000 2.511 191 K HA 0.217 4.637 4.320 0.166 0.000 0.280 191 K C 1.334 178.038 176.600 0.174 0.000 1.008 191 K CA 1.359 57.809 56.287 0.271 0.000 1.050 191 K CB -0.233 32.480 32.500 0.355 0.000 0.889 191 K HN 0.922 nan 8.250 nan 0.000 0.484 192 G N 3.072 111.973 108.800 0.167 0.000 2.213 192 G HA2 -0.236 3.824 3.960 0.166 0.000 0.236 192 G HA3 -0.236 3.824 3.960 0.166 0.000 0.236 192 G C -0.247 174.697 174.900 0.073 0.000 0.991 192 G CA 0.023 45.187 45.100 0.106 0.000 0.629 192 G HN 0.574 nan 8.290 nan 0.000 0.517 193 K N 0.353 120.807 120.400 0.090 0.000 2.098 193 K HA 0.666 5.086 4.320 0.166 0.000 0.258 193 K C 0.152 176.742 176.600 -0.018 0.000 0.973 193 K CA -0.655 55.614 56.287 -0.030 0.000 0.898 193 K CB 1.153 33.568 32.500 -0.142 0.000 1.057 193 K HN 0.196 nan 8.250 nan 0.000 0.447 194 R N 1.584 121.965 120.500 -0.199 0.000 2.514 194 R HA 0.342 4.782 4.340 0.166 0.000 0.301 194 R C -1.177 174.905 176.300 -0.362 0.000 0.962 194 R CA -0.666 55.381 56.100 -0.087 0.000 0.882 194 R CB 0.929 31.228 30.300 -0.002 0.000 1.143 194 R HN 0.466 nan 8.270 nan 0.000 0.452 195 Y N 0.823 121.022 120.300 -0.169 0.000 2.376 195 Y HA 0.341 4.991 4.550 0.166 0.000 0.340 195 Y C 0.259 175.783 175.900 -0.626 0.000 0.965 195 Y CA -0.909 56.888 58.100 -0.504 0.000 1.078 195 Y CB 1.766 39.655 38.460 -0.953 0.000 1.193 195 Y HN 0.285 nan 8.280 nan 0.000 0.452 196 R N 4.549 124.643 120.500 -0.677 0.000 2.296 196 R HA 0.323 4.763 4.340 0.166 0.000 0.327 196 R C -1.510 174.364 176.300 -0.711 0.000 1.137 196 R CA -0.262 55.362 56.100 -0.792 0.000 1.020 196 R CB -0.253 29.258 30.300 -1.315 0.000 1.110 196 R HN 0.606 nan 8.270 nan 0.000 0.499 197 F N 3.296 122.894 119.950 -0.586 0.000 2.427 197 F HA 0.288 4.914 4.527 0.165 0.000 0.352 197 F C 0.910 176.313 175.800 -0.662 0.000 1.100 197 F CA -0.346 57.227 58.000 -0.713 0.000 1.191 197 F CB 0.997 39.323 39.000 -1.123 0.000 1.128 197 F HN 0.221 nan 8.300 nan 0.000 0.533 198 R N 4.024 124.408 120.500 -0.193 0.000 2.247 198 R HA 0.359 4.798 4.340 0.166 0.000 0.329 198 R C -1.280 174.931 176.300 -0.148 0.000 1.014 198 R CA -0.910 55.087 56.100 -0.172 0.000 0.907 198 R CB 1.089 31.304 30.300 -0.143 0.000 1.146 198 R HN 0.444 nan 8.270 nan 0.000 0.499 199 L N 4.065 125.203 121.223 -0.141 0.000 2.265 199 L HA 0.393 4.832 4.340 0.166 0.000 0.288 199 L C -0.833 175.906 176.870 -0.218 0.000 1.058 199 L CA -0.352 54.382 54.840 -0.177 0.000 0.809 199 L CB 1.589 43.550 42.059 -0.164 0.000 1.179 199 L HN 0.330 nan 8.230 nan 0.000 0.429 200 V N 4.915 124.660 119.914 -0.280 0.000 2.531 200 V HA 0.536 4.756 4.120 0.166 0.000 0.301 200 V C -0.441 175.365 176.094 -0.481 0.000 1.034 200 V CA -0.319 61.743 62.300 -0.396 0.000 0.865 200 V CB 2.241 33.824 31.823 -0.400 0.000 0.995 200 V HN 0.872 nan 8.190 nan 0.000 0.424 201 S N 6.401 121.763 115.700 -0.564 0.000 2.416 201 S HA 0.428 4.997 4.470 0.166 0.000 0.287 201 S C 0.507 174.516 174.600 -0.986 0.000 1.139 201 S CA -0.557 57.319 58.200 -0.540 0.000 1.058 201 S CB 0.333 63.340 63.200 -0.322 0.000 0.967 201 S HN 0.731 nan 8.310 nan 0.000 0.495 202 L N 4.100 124.860 121.223 -0.771 0.000 2.653 202 L HA 0.247 4.686 4.340 0.166 0.000 0.232 202 L C 1.243 177.981 176.870 -0.220 0.000 1.169 202 L CA -0.291 54.043 54.840 -0.843 0.000 0.951 202 L CB -0.258 41.569 42.059 -0.387 0.000 1.181 202 L HN 0.571 nan 8.230 nan 0.000 0.460 203 S N -0.964 114.656 115.700 -0.133 0.000 2.562 203 S HA -0.004 4.565 4.470 0.166 0.000 0.281 203 S C 1.195 175.932 174.600 0.228 0.000 1.333 203 S CA -0.565 57.711 58.200 0.128 0.000 1.052 203 S CB 1.016 64.304 63.200 0.146 0.000 0.884 203 S HN 0.353 nan 8.310 nan 0.000 0.506 204 c N 3.485 122.175 118.600 0.150 0.000 2.539 204 c HA 0.198 4.868 4.570 0.166 0.000 0.268 204 c C 1.621 175.656 174.090 -0.093 0.000 1.395 204 c CA 0.293 56.532 56.329 -0.150 0.000 1.757 204 c CB -1.023 41.172 42.510 -0.524 0.000 1.851 204 c HN 0.999 nan 8.230 nan 0.000 0.545 205 D N -1.243 119.207 120.400 0.084 0.000 2.474 205 D HA 0.078 4.817 4.640 0.166 0.000 0.108 205 D C -2.402 173.897 176.300 -0.002 0.000 1.491 205 D CA 0.323 54.374 54.000 0.085 0.000 1.401 205 D CB -0.796 40.169 40.800 0.275 0.000 2.273 205 D HN 0.055 nan 8.370 nan 0.000 0.229 206 P HA 0.180 nan 4.420 nan 0.000 0.272 206 P C -0.579 176.425 177.300 -0.493 0.000 1.223 206 P CA -0.013 62.904 63.100 -0.305 0.000 0.784 206 P CB 0.365 31.793 31.700 -0.453 0.000 0.923 207 N N 0.867 119.282 118.700 -0.475 0.000 2.495 207 N HA 0.282 5.121 4.740 0.166 0.000 0.280 207 N C -1.311 173.767 175.510 -0.721 0.000 1.168 207 N CA -0.432 52.274 53.050 -0.573 0.000 0.978 207 N CB 0.321 38.361 38.487 -0.745 0.000 1.191 207 N HN 0.322 nan 8.380 nan 0.000 0.497 208 Y N -0.954 119.218 120.300 -0.213 0.000 2.409 208 Y HA 0.379 5.028 4.550 0.165 0.000 0.343 208 Y C -0.193 175.658 175.900 -0.081 0.000 0.973 208 Y CA -1.060 56.978 58.100 -0.102 0.000 1.064 208 Y CB 2.322 40.768 38.460 -0.023 0.000 1.207 208 Y HN 0.446 nan 8.280 nan 0.000 0.452 209 T N 4.745 119.370 114.554 0.118 0.000 2.762 209 T HA 0.254 4.703 4.350 0.166 0.000 0.303 209 T C -1.074 173.723 174.700 0.161 0.000 0.977 209 T CA -0.276 61.877 62.100 0.090 0.000 0.961 209 T CB -0.396 68.495 68.868 0.039 0.000 0.944 209 T HN 0.389 nan 8.240 nan 0.000 0.481 210 F N 3.934 123.875 119.950 -0.016 0.000 2.436 210 F HA 0.642 5.269 4.527 0.167 0.000 0.340 210 F C 0.236 175.970 175.800 -0.111 0.000 1.113 210 F CA -0.337 57.633 58.000 -0.051 0.000 1.022 210 F CB 1.021 39.978 39.000 -0.073 0.000 1.128 210 F HN 0.572 nan 8.300 nan 0.000 0.466 211 S N 5.644 120.878 115.700 -0.777 0.000 2.588 211 S HA 0.735 5.305 4.470 0.166 0.000 0.269 211 S C -1.409 172.759 174.600 -0.721 0.000 1.157 211 S CA -0.929 56.913 58.200 -0.596 0.000 0.824 211 S CB 1.519 64.549 63.200 -0.283 0.000 1.126 211 S HN 0.592 nan 8.310 nan 0.000 0.464 212 I N 1.676 121.988 120.570 -0.430 0.000 2.447 212 I HA 0.327 4.596 4.170 0.166 0.000 0.287 212 I C -1.087 174.987 176.117 -0.072 0.000 1.023 212 I CA -0.694 60.440 61.300 -0.277 0.000 1.083 212 I CB 1.773 39.616 38.000 -0.262 0.000 1.245 212 I HN 0.602 nan 8.210 nan 0.000 0.434 213 D N 5.089 125.499 120.400 0.017 0.000 2.533 213 D HA 0.175 4.915 4.640 0.166 0.000 0.236 213 D C 1.227 177.670 176.300 0.239 0.000 1.137 213 D CA 1.485 55.561 54.000 0.126 0.000 0.867 213 D CB 0.858 41.780 40.800 0.204 0.000 1.170 213 D HN 0.926 nan 8.370 nan 0.000 0.474 214 G N 1.880 110.746 108.800 0.110 0.000 2.184 214 G HA2 -0.267 3.793 3.960 0.166 0.000 0.264 214 G HA3 -0.267 3.793 3.960 0.166 0.000 0.264 214 G C 0.036 174.765 174.900 -0.286 0.000 0.975 214 G CA 0.397 45.474 45.100 -0.038 0.000 0.642 214 G HN 0.676 nan 8.290 nan 0.000 0.536 215 H N -0.103 118.893 119.070 -0.123 0.000 2.600 215 H HA 0.718 5.374 4.556 0.166 0.000 0.357 215 H C -0.015 175.267 175.328 -0.077 0.000 1.106 215 H CA 0.010 55.999 56.048 -0.098 0.000 1.193 215 H CB 1.834 31.539 29.762 -0.095 0.000 1.594 215 H HN 0.173 nan 8.280 nan 0.000 0.526 216 S N 1.820 117.549 115.700 0.050 0.000 2.672 216 S HA 0.554 5.124 4.470 0.166 0.000 0.276 216 S C -0.512 174.111 174.600 0.039 0.000 1.207 216 S CA -0.813 57.392 58.200 0.008 0.000 1.002 216 S CB 0.517 63.711 63.200 -0.010 0.000 0.998 216 S HN 0.348 nan 8.310 nan 0.000 0.542 217 L N 1.589 122.795 121.223 -0.028 0.000 2.376 217 L HA 0.426 4.866 4.340 0.166 0.000 0.275 217 L C -0.531 176.368 176.870 0.048 0.000 0.987 217 L CA -0.603 54.223 54.840 -0.024 0.000 0.828 217 L CB 1.774 43.583 42.059 -0.416 0.000 1.249 217 L HN 0.468 nan 8.230 nan 0.000 0.409 218 T N 2.637 117.291 114.554 0.168 0.000 2.811 218 T HA 0.306 4.756 4.350 0.166 0.000 0.309 218 T C 0.224 175.014 174.700 0.152 0.000 1.005 218 T CA -0.330 61.838 62.100 0.112 0.000 0.955 218 T CB 0.909 69.830 68.868 0.089 0.000 0.970 218 T HN 0.193 nan 8.240 nan 0.000 0.496 219 V N 5.955 125.941 119.914 0.121 0.000 2.508 219 V HA 0.236 4.455 4.120 0.166 0.000 0.281 219 V C 1.278 177.431 176.094 0.097 0.000 1.041 219 V CA 0.097 62.480 62.300 0.139 0.000 1.016 219 V CB 0.398 32.262 31.823 0.067 0.000 0.984 219 V HN 0.915 nan 8.190 nan 0.000 0.478 220 I N 0.760 121.372 120.570 0.070 0.000 4.439 220 I HA 0.556 4.826 4.170 0.166 0.000 0.331 220 I C 0.423 176.595 176.117 0.093 0.000 1.345 220 I CA 0.118 61.377 61.300 -0.068 0.000 1.193 220 I CB 0.669 38.439 38.000 -0.384 0.000 1.221 220 I HN 0.612 nan 8.210 nan 0.000 0.429 221 E N 2.133 122.417 120.200 0.141 0.000 2.335 221 E HA 0.717 5.166 4.350 0.166 0.000 0.280 221 E C -1.841 174.833 176.600 0.123 0.000 0.918 221 E CA -0.795 55.675 56.400 0.117 0.000 0.765 221 E CB 2.782 32.514 29.700 0.053 0.000 1.218 221 E HN 0.273 nan 8.360 nan 0.000 0.425 222 A N 3.733 126.573 122.820 0.033 0.000 2.353 222 A HA 0.508 4.928 4.320 0.166 0.000 0.299 222 A C -0.705 176.749 177.584 -0.216 0.000 1.089 222 A CA -0.449 51.510 52.037 -0.131 0.000 0.736 222 A CB 0.801 19.792 19.000 -0.015 0.000 1.195 222 A HN 0.760 nan 8.150 nan 0.000 0.447 223 D N 1.917 122.112 120.400 -0.343 0.000 2.686 223 D HA -0.175 4.565 4.640 0.166 0.000 0.235 223 D C 0.739 176.842 176.300 -0.329 0.000 1.160 223 D CA 1.951 55.761 54.000 -0.317 0.000 0.645 223 D CB -1.555 39.102 40.800 -0.239 0.000 1.039 223 D HN 1.127 nan 8.370 nan 0.000 0.423 224 S N -4.044 111.418 115.700 -0.396 0.000 3.228 224 S HA -0.216 4.354 4.470 0.166 0.000 0.282 224 S C 0.313 174.813 174.600 -0.166 0.000 1.286 224 S CA 0.739 58.677 58.200 -0.436 0.000 1.066 224 S CB -1.103 61.595 63.200 -0.837 0.000 1.277 224 S HN 0.397 nan 8.310 nan 0.000 0.661 225 V N 2.942 122.799 119.914 -0.094 0.000 2.384 225 V HA 0.365 4.585 4.120 0.166 0.000 0.287 225 V C 0.351 176.466 176.094 0.036 0.000 1.020 225 V CA -1.014 61.281 62.300 -0.009 0.000 0.850 225 V CB 1.495 33.333 31.823 0.024 0.000 0.987 225 V HN 0.329 nan 8.190 nan 0.000 0.436 226 N N 4.898 123.632 118.700 0.057 0.000 2.454 226 N HA 0.269 5.108 4.740 0.166 0.000 0.260 226 N C -0.524 175.080 175.510 0.158 0.000 1.218 226 N CA 0.252 53.378 53.050 0.126 0.000 0.904 226 N CB 0.771 39.294 38.487 0.060 0.000 1.065 226 N HN 0.537 nan 8.380 nan 0.000 0.462 227 L N 1.285 122.660 121.223 0.253 0.000 2.313 227 L HA 0.433 4.872 4.340 0.166 0.000 0.268 227 L C 0.815 177.846 176.870 0.269 0.000 1.010 227 L CA -1.025 53.942 54.840 0.211 0.000 0.814 227 L CB 1.267 43.429 42.059 0.172 0.000 1.304 227 L HN 0.220 nan 8.230 nan 0.000 0.441 228 K N 1.459 121.973 120.400 0.191 0.000 2.401 228 K HA 0.194 4.613 4.320 0.166 0.000 0.278 228 K C -2.308 174.392 176.600 0.167 0.000 1.018 228 K CA -1.508 54.894 56.287 0.192 0.000 0.981 228 K CB 0.238 32.824 32.500 0.143 0.000 0.933 228 K HN 0.219 nan 8.250 nan 0.000 0.477 229 P HA -0.077 nan 4.420 nan 0.000 0.265 229 P C -0.918 176.470 177.300 0.147 0.000 1.193 229 P CA 0.554 63.695 63.100 0.068 0.000 0.765 229 P CB 0.385 32.101 31.700 0.026 0.000 0.823 230 H N 1.528 120.611 119.070 0.022 0.000 3.181 230 H HA 0.219 4.875 4.556 0.166 0.000 0.331 230 H C -1.006 174.326 175.328 0.008 0.000 0.988 230 H CA -0.386 55.675 56.048 0.021 0.000 1.449 230 H CB 1.115 30.893 29.762 0.026 0.000 1.749 230 H HN 0.198 nan 8.280 nan 0.000 0.501 231 T N 4.986 119.378 114.554 -0.270 0.000 2.817 231 T HA 0.381 4.830 4.350 0.166 0.000 0.293 231 T C 0.328 174.892 174.700 -0.227 0.000 0.964 231 T CA -0.363 61.636 62.100 -0.170 0.000 1.085 231 T CB 0.865 69.668 68.868 -0.108 0.000 0.921 231 T HN 0.454 nan 8.240 nan 0.000 0.502 232 V N 0.690 120.533 119.914 -0.117 0.000 3.130 232 V HA 0.686 4.906 4.120 0.166 0.000 0.310 232 V C -0.131 175.911 176.094 -0.086 0.000 1.158 232 V CA -1.041 61.203 62.300 -0.093 0.000 1.029 232 V CB 2.348 34.139 31.823 -0.054 0.000 1.057 232 V HN 0.719 nan 8.190 nan 0.000 0.436 233 D N 0.440 120.796 120.400 -0.073 0.000 2.398 233 D HA 0.287 5.026 4.640 0.166 0.000 0.210 233 D C 0.509 176.755 176.300 -0.089 0.000 1.094 233 D CA 0.802 54.757 54.000 -0.075 0.000 0.839 233 D CB 0.368 41.133 40.800 -0.057 0.000 0.963 233 D HN 1.168 nan 8.370 nan 0.000 0.506 234 S N -0.455 115.196 115.700 -0.081 0.000 2.587 234 S HA 0.663 5.232 4.470 0.166 0.000 0.269 234 S C -1.438 173.126 174.600 -0.059 0.000 1.154 234 S CA -1.060 57.097 58.200 -0.071 0.000 0.824 234 S CB 1.407 64.578 63.200 -0.048 0.000 1.118 234 S HN 0.361 nan 8.310 nan 0.000 0.462 235 L N -1.278 119.929 121.223 -0.026 0.000 2.466 235 L HA 0.743 5.183 4.340 0.166 0.000 0.258 235 L C -0.846 176.030 176.870 0.009 0.000 0.973 235 L CA -0.770 54.034 54.840 -0.059 0.000 0.826 235 L CB 1.826 43.748 42.059 -0.229 0.000 1.372 235 L HN 0.932 nan 8.230 nan 0.000 0.409 236 Q N 2.089 121.892 119.800 0.004 0.000 2.290 236 Q HA 0.660 5.100 4.340 0.166 0.000 0.259 236 Q C -1.482 174.508 176.000 -0.015 0.000 0.941 236 Q CA -0.559 55.212 55.803 -0.053 0.000 0.912 236 Q CB 1.911 30.590 28.738 -0.097 0.000 1.244 236 Q HN 0.864 nan 8.270 nan 0.000 0.441 237 I N 4.393 124.912 120.570 -0.085 0.000 2.418 237 I HA 0.376 4.646 4.170 0.166 0.000 0.287 237 I C -1.390 174.623 176.117 -0.173 0.000 1.008 237 I CA -0.786 60.536 61.300 0.038 0.000 1.104 237 I CB 0.685 38.753 38.000 0.114 0.000 1.264 237 I HN 0.610 nan 8.210 nan 0.000 0.438 238 F N 5.552 125.524 119.950 0.036 0.000 2.370 238 F HA 0.557 5.184 4.527 0.165 0.000 0.319 238 F C 1.117 176.867 175.800 -0.084 0.000 1.129 238 F CA -0.375 57.619 58.000 -0.011 0.000 1.109 238 F CB 0.827 39.843 39.000 0.026 0.000 1.262 238 F HN 0.484 nan 8.300 nan 0.000 0.534 239 A N 1.574 124.449 122.820 0.092 0.000 2.580 239 A HA 0.343 4.763 4.320 0.166 0.000 0.244 239 A C 0.984 178.417 177.584 -0.253 0.000 1.045 239 A CA 0.538 52.538 52.037 -0.062 0.000 0.761 239 A CB -1.071 17.957 19.000 0.047 0.000 0.962 239 A HN 1.893 nan 8.150 nan 0.000 0.512 240 A N 1.487 123.996 122.820 -0.518 0.000 3.553 240 A HA -0.188 4.231 4.320 0.166 0.000 0.261 240 A C 0.645 177.922 177.584 -0.512 0.000 1.096 240 A CA 1.486 53.128 52.037 -0.657 0.000 1.308 240 A CB -2.391 16.012 19.000 -0.994 0.000 1.084 240 A HN 0.963 nan 8.150 nan 0.000 0.914 241 Q N -0.805 118.784 119.800 -0.352 0.000 2.417 241 Q HA 0.544 4.983 4.340 0.166 0.000 0.241 241 Q C 0.023 175.769 176.000 -0.422 0.000 1.008 241 Q CA 0.162 55.774 55.803 -0.318 0.000 0.901 241 Q CB 0.324 28.939 28.738 -0.204 0.000 1.259 241 Q HN 0.530 nan 8.270 nan 0.000 0.489 242 R N 0.563 120.783 120.500 -0.466 0.000 2.673 242 R HA 0.508 4.948 4.340 0.166 0.000 0.281 242 R C -1.671 174.313 176.300 -0.526 0.000 0.991 242 R CA -0.510 55.338 56.100 -0.420 0.000 0.896 242 R CB 1.262 31.345 30.300 -0.360 0.000 1.201 242 R HN 0.461 nan 8.270 nan 0.000 0.457 243 Y N -0.511 119.718 120.300 -0.118 0.000 2.442 243 Y HA 0.487 5.137 4.550 0.167 0.000 0.344 243 Y C -0.178 175.700 175.900 -0.037 0.000 0.976 243 Y CA -0.671 57.405 58.100 -0.040 0.000 1.040 243 Y CB 2.704 41.181 38.460 0.030 0.000 1.228 243 Y HN 0.470 nan 8.280 nan 0.000 0.451 244 S N 4.027 119.809 115.700 0.136 0.000 2.508 244 S HA 0.697 5.266 4.470 0.166 0.000 0.284 244 S C -1.100 173.588 174.600 0.146 0.000 1.192 244 S CA -0.605 57.606 58.200 0.018 0.000 1.070 244 S CB 0.042 63.211 63.200 -0.052 0.000 1.004 244 S HN 0.466 nan 8.310 nan 0.000 0.493 245 F N 0.253 120.227 119.950 0.041 0.000 2.588 245 F HA 0.786 5.413 4.527 0.166 0.000 0.310 245 F C -0.989 174.852 175.800 0.067 0.000 1.082 245 F CA -1.344 56.688 58.000 0.054 0.000 0.929 245 F CB 0.591 39.634 39.000 0.072 0.000 1.254 245 F HN 0.185 nan 8.300 nan 0.000 0.455 246 V N 4.079 124.133 119.914 0.233 0.000 2.461 246 V HA 0.350 4.570 4.120 0.166 0.000 0.275 246 V C -0.321 175.987 176.094 0.357 0.000 1.047 246 V CA -0.538 61.861 62.300 0.166 0.000 0.955 246 V CB 1.317 33.228 31.823 0.145 0.000 0.988 246 V HN 0.833 nan 8.190 nan 0.000 0.471 247 L N 5.487 126.922 121.223 0.354 0.000 2.305 247 L HA 0.511 4.951 4.340 0.166 0.000 0.284 247 L C 0.162 177.227 176.870 0.326 0.000 1.013 247 L CA -0.139 54.963 54.840 0.437 0.000 0.819 247 L CB 1.077 43.520 42.059 0.641 0.000 1.227 247 L HN 0.737 nan 8.230 nan 0.000 0.417 248 N N 4.126 122.990 118.700 0.274 0.000 2.420 248 N HA 0.342 5.182 4.740 0.166 0.000 0.249 248 N C -0.238 175.437 175.510 0.275 0.000 1.033 248 N CA -0.392 52.794 53.050 0.226 0.000 0.944 248 N CB 1.226 39.803 38.487 0.151 0.000 1.113 248 N HN 0.787 nan 8.380 nan 0.000 0.502 249 A N 3.688 126.672 122.820 0.273 0.000 3.037 249 A HA 0.048 4.467 4.320 0.166 0.000 0.272 249 A C 0.259 178.052 177.584 0.348 0.000 1.723 249 A CA -0.390 51.796 52.037 0.249 0.000 1.413 249 A CB -0.364 18.625 19.000 -0.019 0.000 1.112 249 A HN 0.862 nan 8.150 nan 0.000 0.606 250 D N -0.395 120.185 120.400 0.300 0.000 2.469 250 D HA 0.039 4.779 4.640 0.166 0.000 0.215 250 D C 0.239 176.595 176.300 0.094 0.000 1.154 250 D CA 0.001 54.110 54.000 0.181 0.000 0.832 250 D CB 0.111 40.969 40.800 0.096 0.000 1.008 250 D HN 0.327 nan 8.370 nan 0.000 0.506 251 Q N 0.710 120.553 119.800 0.072 0.000 2.237 251 Q HA 0.211 4.651 4.340 0.166 0.000 0.219 251 Q C -0.148 175.726 176.000 -0.209 0.000 0.999 251 Q CA -0.320 55.383 55.803 -0.167 0.000 0.959 251 Q CB 0.524 28.973 28.738 -0.482 0.000 1.173 251 Q HN 0.133 nan 8.270 nan 0.000 0.527 252 D N 0.341 120.648 120.400 -0.153 0.000 2.488 252 D HA 0.014 4.754 4.640 0.166 0.000 0.238 252 D C -0.260 175.837 176.300 -0.339 0.000 1.138 252 D CA 0.079 53.991 54.000 -0.148 0.000 0.873 252 D CB 0.467 41.224 40.800 -0.071 0.000 1.183 252 D HN 0.084 nan 8.370 nan 0.000 0.458 253 V N 3.703 123.468 119.914 -0.249 0.000 2.539 253 V HA 0.005 4.225 4.120 0.166 0.000 0.300 253 V C 0.637 176.624 176.094 -0.178 0.000 1.019 253 V CA 1.086 63.266 62.300 -0.200 0.000 1.160 253 V CB 0.100 31.932 31.823 0.015 0.000 0.901 253 V HN 0.598 nan 8.190 nan 0.000 0.481 254 D N 3.049 123.354 120.400 -0.159 0.000 2.804 254 D HA 0.201 4.940 4.640 0.166 0.000 0.309 254 D C -1.122 175.078 176.300 -0.166 0.000 1.311 254 D CA -0.725 53.127 54.000 -0.247 0.000 0.765 254 D CB 1.317 41.791 40.800 -0.543 0.000 1.293 254 D HN 0.516 nan 8.370 nan 0.000 0.434 255 N N 0.190 118.672 118.700 -0.363 0.000 2.421 255 N HA 0.509 5.349 4.740 0.166 0.000 0.285 255 N C -1.199 173.967 175.510 -0.574 0.000 1.027 255 N CA -0.222 52.643 53.050 -0.308 0.000 0.918 255 N CB 1.117 39.399 38.487 -0.341 0.000 1.152 255 N HN 0.153 nan 8.380 nan 0.000 0.485 256 Y N 0.047 120.240 120.300 -0.180 0.000 2.425 256 Y HA 0.328 4.978 4.550 0.166 0.000 0.344 256 Y C -0.579 175.200 175.900 -0.201 0.000 0.969 256 Y CA -0.924 57.083 58.100 -0.155 0.000 1.052 256 Y CB 0.992 39.462 38.460 0.017 0.000 1.215 256 Y HN 0.467 nan 8.280 nan 0.000 0.451 257 W N 4.203 125.499 121.300 -0.007 0.000 2.253 257 W HA 0.416 5.175 4.660 0.166 0.000 0.322 257 W C -0.451 175.955 176.519 -0.188 0.000 1.342 257 W CA -0.160 57.111 57.345 -0.123 0.000 1.218 257 W CB 0.418 29.752 29.460 -0.210 0.000 1.205 257 W HN 0.256 nan 8.180 nan 0.000 0.551 258 I N 4.827 125.456 120.570 0.099 0.000 2.315 258 I HA 0.317 4.587 4.170 0.166 0.000 0.291 258 I C 0.181 176.181 176.117 -0.196 0.000 1.006 258 I CA -0.689 60.520 61.300 -0.153 0.000 1.265 258 I CB 0.683 38.613 38.000 -0.116 0.000 1.387 258 I HN 0.301 nan 8.210 nan 0.000 0.475 259 R N 5.256 125.510 120.500 -0.411 0.000 2.494 259 R HA 0.771 5.211 4.340 0.166 0.000 0.305 259 R C -0.824 175.382 176.300 -0.156 0.000 0.959 259 R CA -0.771 55.130 56.100 -0.332 0.000 0.864 259 R CB 2.105 32.036 30.300 -0.615 0.000 1.159 259 R HN 0.694 nan 8.270 nan 0.000 0.446 260 A N 4.262 127.161 122.820 0.132 0.000 2.646 260 A HA 0.245 4.665 4.320 0.166 0.000 0.312 260 A C -0.868 176.893 177.584 0.295 0.000 1.245 260 A CA -0.573 51.575 52.037 0.185 0.000 0.755 260 A CB 0.682 19.684 19.000 0.004 0.000 1.132 260 A HN 0.592 nan 8.150 nan 0.000 0.458 261 L N 4.912 126.307 121.223 0.288 0.000 2.283 261 L HA 0.364 4.804 4.340 0.166 0.000 0.287 261 L C -2.125 174.803 176.870 0.095 0.000 1.073 261 L CA -1.496 53.401 54.840 0.096 0.000 0.822 261 L CB 1.566 43.649 42.059 0.039 0.000 1.186 261 L HN 0.411 nan 8.230 nan 0.000 0.436 262 P HA 0.109 nan 4.420 nan 0.000 0.274 262 P C -0.261 176.918 177.300 -0.202 0.000 1.237 262 P CA -0.399 62.584 63.100 -0.194 0.000 0.793 262 P CB 0.562 32.180 31.700 -0.136 0.000 0.977 263 N N -0.485 118.063 118.700 -0.252 0.000 2.461 263 N HA -0.012 4.828 4.740 0.166 0.000 0.188 263 N C 0.214 175.638 175.510 -0.143 0.000 1.134 263 N CA -0.254 52.693 53.050 -0.171 0.000 0.878 263 N CB 0.054 38.448 38.487 -0.154 0.000 0.972 263 N HN 0.419 nan 8.380 nan 0.000 0.456 264 S N -2.340 113.269 115.700 -0.151 0.000 2.671 264 S HA 0.789 5.358 4.470 0.166 0.000 0.277 264 S C 0.399 174.927 174.600 -0.120 0.000 1.165 264 S CA -0.453 57.674 58.200 -0.122 0.000 0.822 264 S CB 1.523 64.661 63.200 -0.104 0.000 1.150 264 S HN 0.493 nan 8.310 nan 0.000 0.479 265 G N 0.753 109.488 108.800 -0.108 0.000 2.528 265 G HA2 -0.154 3.905 3.960 0.166 0.000 0.262 265 G HA3 -0.154 3.905 3.960 0.166 0.000 0.262 265 G C -0.143 174.682 174.900 -0.123 0.000 1.200 265 G CA -0.144 44.889 45.100 -0.113 0.000 0.951 265 G HN 1.589 nan 8.290 nan 0.000 0.566 266 T N 1.874 116.348 114.554 -0.132 0.000 2.751 266 T HA 0.450 4.900 4.350 0.166 0.000 0.290 266 T C 0.713 175.295 174.700 -0.196 0.000 0.919 266 T CA 0.683 62.693 62.100 -0.150 0.000 1.136 266 T CB 0.739 69.522 68.868 -0.143 0.000 0.875 266 T HN 0.498 nan 8.240 nan 0.000 0.532 267 Q N 3.477 123.152 119.800 -0.208 0.000 2.553 267 Q HA 0.246 4.686 4.340 0.166 0.000 0.395 267 Q C -0.050 175.743 176.000 -0.346 0.000 0.971 267 Q CA -0.563 55.082 55.803 -0.264 0.000 1.090 267 Q CB 0.064 28.690 28.738 -0.188 0.000 1.328 267 Q HN 0.803 nan 8.270 nan 0.000 0.413 268 N N -2.072 116.352 118.700 -0.460 0.000 3.243 268 N HA 0.342 5.182 4.740 0.166 0.000 0.280 268 N C -0.838 174.221 175.510 -0.751 0.000 1.545 268 N CA -0.834 51.895 53.050 -0.534 0.000 0.854 268 N CB 0.278 38.618 38.487 -0.244 0.000 1.612 268 N HN -0.050 nan 8.380 nan 0.000 0.577 269 F N -0.668 119.179 119.950 -0.170 0.000 2.698 269 F HA 0.605 5.231 4.527 0.166 0.000 0.304 269 F C 0.794 176.444 175.800 -0.250 0.000 1.108 269 F CA -0.701 57.145 58.000 -0.256 0.000 1.263 269 F CB 0.346 39.123 39.000 -0.372 0.000 1.013 269 F HN 0.640 nan 8.300 nan 0.000 0.532 270 A N 0.629 123.410 122.820 -0.064 0.000 2.566 270 A HA 0.369 4.789 4.320 0.166 0.000 0.245 270 A C 1.594 179.145 177.584 -0.054 0.000 1.056 270 A CA 0.889 52.894 52.037 -0.054 0.000 0.757 270 A CB -0.734 18.235 19.000 -0.052 0.000 0.979 270 A HN 1.071 nan 8.150 nan 0.000 0.508 271 G N 1.333 110.112 108.800 -0.036 0.000 2.168 271 G HA2 0.130 4.190 3.960 0.166 0.000 0.257 271 G HA3 0.130 4.190 3.960 0.166 0.000 0.257 271 G C 1.625 176.514 174.900 -0.018 0.000 0.997 271 G CA 1.060 46.155 45.100 -0.008 0.000 0.708 271 G HN 2.875 nan 8.290 nan 0.000 0.520 272 G N -2.333 106.392 108.800 -0.125 0.000 2.157 272 G HA2 -0.072 3.987 3.960 0.166 0.000 0.248 272 G HA3 -0.072 3.987 3.960 0.166 0.000 0.248 272 G C 0.522 175.351 174.900 -0.118 0.000 0.979 272 G CA 0.849 45.820 45.100 -0.215 0.000 0.650 272 G HN 1.586 nan 8.290 nan 0.000 0.529 273 T N 1.308 115.816 114.554 -0.077 0.000 2.932 273 T HA 0.352 4.802 4.350 0.166 0.000 0.312 273 T C 1.135 175.827 174.700 -0.014 0.000 1.071 273 T CA 0.973 63.046 62.100 -0.046 0.000 1.128 273 T CB 0.189 69.015 68.868 -0.070 0.000 0.984 273 T HN 0.623 nan 8.240 nan 0.000 0.549 274 N N 1.134 119.836 118.700 0.003 0.000 2.725 274 N HA -0.153 4.687 4.740 0.166 0.000 0.249 274 N C -0.715 174.872 175.510 0.129 0.000 1.103 274 N CA 0.927 54.012 53.050 0.058 0.000 0.707 274 N CB -1.219 37.266 38.487 -0.003 0.000 1.043 274 N HN 0.488 nan 8.380 nan 0.000 0.553 275 S N -1.338 114.390 115.700 0.046 0.000 2.588 275 S HA 0.941 5.510 4.470 0.166 0.000 0.275 275 S C -0.234 174.436 174.600 0.116 0.000 1.130 275 S CA -0.180 58.036 58.200 0.027 0.000 0.855 275 S CB 2.894 65.969 63.200 -0.208 0.000 1.116 275 S HN 0.509 nan 8.310 nan 0.000 0.472 276 A N 0.864 123.791 122.820 0.178 0.000 2.552 276 A HA 0.905 5.325 4.320 0.166 0.000 0.288 276 A C -1.737 175.960 177.584 0.189 0.000 1.193 276 A CA -0.740 51.394 52.037 0.161 0.000 0.713 276 A CB 0.816 19.850 19.000 0.056 0.000 1.305 276 A HN 0.705 nan 8.150 nan 0.000 0.424 277 I N 0.734 121.335 120.570 0.051 0.000 2.389 277 I HA 0.330 4.600 4.170 0.166 0.000 0.288 277 I C -1.005 175.071 176.117 -0.068 0.000 0.999 277 I CA -0.577 60.689 61.300 -0.057 0.000 1.129 277 I CB 1.672 39.599 38.000 -0.122 0.000 1.288 277 I HN 0.504 nan 8.210 nan 0.000 0.444 278 L N 7.657 128.841 121.223 -0.065 0.000 2.261 278 L HA 0.397 4.837 4.340 0.166 0.000 0.289 278 L C -0.021 176.877 176.870 0.046 0.000 1.059 278 L CA 0.136 54.940 54.840 -0.061 0.000 0.816 278 L CB 0.309 42.303 42.059 -0.107 0.000 1.191 278 L HN 0.554 nan 8.230 nan 0.000 0.431 279 R N 4.018 124.524 120.500 0.011 0.000 2.310 279 R HA 0.341 4.781 4.340 0.166 0.000 0.324 279 R C -1.358 175.009 176.300 0.112 0.000 0.955 279 R CA -0.614 55.530 56.100 0.073 0.000 0.830 279 R CB 0.661 30.962 30.300 0.001 0.000 1.154 279 R HN 0.494 nan 8.270 nan 0.000 0.458 280 Y N 2.175 122.502 120.300 0.045 0.000 2.359 280 Y HA 0.013 4.663 4.550 0.166 0.000 0.330 280 Y C 0.619 176.539 175.900 0.033 0.000 1.143 280 Y CA 0.115 58.249 58.100 0.057 0.000 1.318 280 Y CB 0.526 39.055 38.460 0.115 0.000 1.234 280 Y HN 0.577 nan 8.280 nan 0.000 0.522 281 D N 1.675 122.155 120.400 0.134 0.000 2.531 281 D HA 0.169 4.908 4.640 0.166 0.000 0.239 281 D C 1.071 177.440 176.300 0.115 0.000 1.144 281 D CA 1.950 56.008 54.000 0.097 0.000 0.869 281 D CB 0.457 41.302 40.800 0.075 0.000 1.160 281 D HN 0.839 nan 8.370 nan 0.000 0.484 282 G N 2.165 111.009 108.800 0.074 0.000 2.232 282 G HA2 -0.152 3.908 3.960 0.166 0.000 0.226 282 G HA3 -0.152 3.908 3.960 0.166 0.000 0.226 282 G C 0.491 175.415 174.900 0.039 0.000 0.996 282 G CA 0.351 45.484 45.100 0.055 0.000 0.626 282 G HN 0.927 nan 8.290 nan 0.000 0.509 283 A N 0.646 123.497 122.820 0.052 0.000 2.386 283 A HA 0.817 5.236 4.320 0.166 0.000 0.248 283 A C 1.095 178.672 177.584 -0.013 0.000 1.082 283 A CA 1.063 53.106 52.037 0.011 0.000 0.789 283 A CB 0.328 19.341 19.000 0.022 0.000 1.025 283 A HN 2.139 nan 8.150 nan 0.000 0.490 284 A N 2.563 125.359 122.820 -0.040 0.000 2.483 284 A HA 0.485 4.905 4.320 0.166 0.000 0.238 284 A C -1.856 175.697 177.584 -0.051 0.000 1.070 284 A CA -0.916 51.094 52.037 -0.044 0.000 0.770 284 A CB -0.351 18.615 19.000 -0.057 0.000 1.008 284 A HN 0.624 nan 8.150 nan 0.000 0.497 285 P HA 0.210 nan 4.420 nan 0.000 0.226 285 P C -0.407 176.861 177.300 -0.054 0.000 1.783 285 P CA 0.275 63.350 63.100 -0.041 0.000 0.980 285 P CB -0.790 30.896 31.700 -0.024 0.000 1.967 286 V N -2.436 117.428 119.914 -0.083 0.000 3.158 286 V HA 0.545 4.765 4.120 0.166 0.000 0.311 286 V C -0.023 175.972 176.094 -0.165 0.000 1.181 286 V CA -1.488 60.753 62.300 -0.097 0.000 1.054 286 V CB 2.006 33.775 31.823 -0.090 0.000 1.085 286 V HN -0.029 nan 8.190 nan 0.000 0.446 287 E N 1.768 121.864 120.200 -0.173 0.000 2.383 287 E HA 0.321 4.770 4.350 0.166 0.000 0.264 287 E C -2.432 173.865 176.600 -0.505 0.000 1.050 287 E CA -1.390 54.813 56.400 -0.328 0.000 0.896 287 E CB 0.500 30.120 29.700 -0.134 0.000 0.982 287 E HN 0.606 nan 8.360 nan 0.000 0.424 288 P HA -0.027 nan 4.420 nan 0.000 0.269 288 P C 0.079 177.003 177.300 -0.628 0.000 1.215 288 P CA 0.156 62.667 63.100 -0.982 0.000 0.780 288 P CB 0.509 31.228 31.700 -1.635 0.000 0.898 289 T N -3.852 110.507 114.554 -0.326 0.000 3.288 289 T HA 0.157 4.606 4.350 0.166 0.000 0.293 289 T C 0.337 175.030 174.700 -0.012 0.000 1.008 289 T CA -0.422 61.651 62.100 -0.044 0.000 0.929 289 T CB -1.125 67.716 68.868 -0.046 0.000 1.152 289 T HN 0.424 nan 8.240 nan 0.000 0.517 290 T N 0.488 114.997 114.554 -0.074 0.000 2.900 290 T HA 0.505 4.955 4.350 0.166 0.000 0.307 290 T C 0.122 174.905 174.700 0.138 0.000 1.065 290 T CA -0.476 61.624 62.100 0.001 0.000 1.105 290 T CB 1.040 69.890 68.868 -0.029 0.000 0.979 290 T HN 0.153 nan 8.240 nan 0.000 0.544 291 S N 1.138 116.882 115.700 0.074 0.000 2.525 291 S HA 0.316 4.885 4.470 0.166 0.000 0.290 291 S C -0.180 174.436 174.600 0.025 0.000 1.152 291 S CA -0.796 57.435 58.200 0.050 0.000 1.072 291 S CB 1.364 64.579 63.200 0.025 0.000 1.027 291 S HN 0.812 nan 8.310 nan 0.000 0.500 292 Q N 2.015 121.804 119.800 -0.019 0.000 2.304 292 Q HA 0.258 4.697 4.340 0.166 0.000 0.260 292 Q C -0.310 175.677 176.000 -0.021 0.000 0.965 292 Q CA -0.244 55.529 55.803 -0.050 0.000 0.898 292 Q CB 0.463 29.137 28.738 -0.107 0.000 1.196 292 Q HN 0.740 nan 8.270 nan 0.000 0.402 293 T N 1.827 116.369 114.554 -0.021 0.000 2.902 293 T HA 0.567 5.016 4.350 0.166 0.000 0.283 293 T C -2.370 172.319 174.700 -0.017 0.000 1.009 293 T CA -1.864 60.228 62.100 -0.014 0.000 1.051 293 T CB 1.087 69.948 68.868 -0.013 0.000 0.999 293 T HN 0.448 nan 8.240 nan 0.000 0.474 294 P HA 0.218 nan 4.420 nan 0.000 0.268 294 P C -0.225 177.068 177.300 -0.013 0.000 1.204 294 P CA -0.265 62.831 63.100 -0.007 0.000 0.768 294 P CB 0.404 32.103 31.700 -0.003 0.000 0.842 295 S N 1.560 117.252 115.700 -0.013 0.000 2.465 295 S HA 0.143 4.713 4.470 0.166 0.000 0.280 295 S C 1.134 175.728 174.600 -0.010 0.000 1.232 295 S CA 0.184 58.373 58.200 -0.018 0.000 1.066 295 S CB -0.440 62.749 63.200 -0.018 0.000 0.929 295 S HN 0.594 nan 8.310 nan 0.000 0.494 296 T N 1.307 115.853 114.554 -0.013 0.000 3.023 296 T HA 0.260 4.709 4.350 0.166 0.000 0.253 296 T C 0.533 175.228 174.700 -0.008 0.000 1.038 296 T CA -0.193 61.902 62.100 -0.008 0.000 0.962 296 T CB -0.362 68.500 68.868 -0.010 0.000 1.018 296 T HN 0.654 nan 8.240 nan 0.000 0.521 297 N N 2.098 120.790 118.700 -0.014 0.000 2.672 297 N HA 0.240 5.080 4.740 0.166 0.000 0.295 297 N C -3.091 172.414 175.510 -0.009 0.000 1.924 297 N CA -1.401 51.641 53.050 -0.014 0.000 0.851 297 N CB 1.526 39.991 38.487 -0.036 0.000 1.281 297 N HN 0.187 nan 8.380 nan 0.000 0.494 298 P HA 0.047 nan 4.420 nan 0.000 0.274 298 P C 0.175 177.497 177.300 0.037 0.000 1.237 298 P CA -0.379 62.726 63.100 0.008 0.000 0.793 298 P CB 1.517 33.226 31.700 0.016 0.000 0.977 299 L N 2.307 123.541 121.223 0.018 0.000 2.540 299 L HA 0.065 4.505 4.340 0.166 0.000 0.276 299 L C -0.668 176.233 176.870 0.052 0.000 1.212 299 L CA 0.307 55.169 54.840 0.036 0.000 0.893 299 L CB 0.191 42.205 42.059 -0.074 0.000 1.138 299 L HN 0.068 nan 8.230 nan 0.000 0.491 300 V N 5.913 125.859 119.914 0.054 0.000 2.444 300 V HA 0.138 4.358 4.120 0.166 0.000 0.294 300 V C 0.790 176.888 176.094 0.007 0.000 1.022 300 V CA -0.483 61.840 62.300 0.040 0.000 0.850 300 V CB 1.425 33.270 31.823 0.038 0.000 0.992 300 V HN 0.937 nan 8.190 nan 0.000 0.426 301 E N 3.041 123.268 120.200 0.045 0.000 2.110 301 E HA -0.198 4.252 4.350 0.166 0.000 0.193 301 E C 2.008 178.607 176.600 -0.002 0.000 0.988 301 E CA 1.757 58.187 56.400 0.049 0.000 0.804 301 E CB 0.210 29.962 29.700 0.087 0.000 0.745 301 E HN 0.878 nan 8.360 nan 0.000 0.458 302 S N -0.191 115.498 115.700 -0.018 0.000 2.474 302 S HA -0.017 4.552 4.470 0.166 0.000 0.235 302 S C 1.909 176.480 174.600 -0.049 0.000 0.997 302 S CA 0.735 58.912 58.200 -0.038 0.000 0.949 302 S CB 0.139 63.311 63.200 -0.047 0.000 0.766 302 S HN 0.352 nan 8.310 nan 0.000 0.517 303 A N 0.898 123.671 122.820 -0.079 0.000 2.132 303 A HA 0.460 4.880 4.320 0.166 0.000 0.213 303 A C 0.914 178.344 177.584 -0.257 0.000 1.154 303 A CA -0.147 51.807 52.037 -0.138 0.000 0.753 303 A CB -0.321 18.599 19.000 -0.132 0.000 0.826 303 A HN 0.536 nan 8.150 nan 0.000 0.469 304 L N -0.103 120.995 121.223 -0.209 0.000 2.417 304 L HA 0.420 4.859 4.340 0.166 0.000 0.268 304 L C 0.481 177.334 176.870 -0.028 0.000 1.158 304 L CA -0.089 54.663 54.840 -0.147 0.000 0.819 304 L CB 1.200 43.240 42.059 -0.032 0.000 1.112 304 L HN 0.162 nan 8.230 nan 0.000 0.458 305 T N -0.122 114.445 114.554 0.022 0.000 2.868 305 T HA 0.394 4.844 4.350 0.166 0.000 0.306 305 T C -0.380 174.383 174.700 0.105 0.000 1.224 305 T CA -0.520 61.624 62.100 0.073 0.000 1.012 305 T CB 1.558 70.467 68.868 0.068 0.000 1.221 305 T HN 0.768 nan 8.240 nan 0.000 0.499 306 T N 1.951 116.581 114.554 0.127 0.000 2.860 306 T HA 0.258 4.708 4.350 0.166 0.000 0.299 306 T C 1.519 176.275 174.700 0.093 0.000 1.045 306 T CA -0.575 61.591 62.100 0.110 0.000 1.071 306 T CB 0.559 69.478 68.868 0.084 0.000 0.985 306 T HN 0.455 nan 8.240 nan 0.000 0.537 307 L N 1.088 122.363 121.223 0.087 0.000 2.042 307 L HA -0.005 4.435 4.340 0.166 0.000 0.210 307 L C 2.128 179.025 176.870 0.044 0.000 1.076 307 L CA 1.898 56.783 54.840 0.076 0.000 0.749 307 L CB -0.968 41.109 42.059 0.030 0.000 0.893 307 L HN 0.682 nan 8.230 nan 0.000 0.432 308 K N 0.147 120.561 120.400 0.023 0.000 2.418 308 K HA 0.335 4.755 4.320 0.166 0.000 0.195 308 K C 1.202 177.822 176.600 0.034 0.000 1.035 308 K CA 0.693 56.989 56.287 0.014 0.000 1.003 308 K CB -0.514 31.978 32.500 -0.013 0.000 0.793 308 K HN 0.398 nan 8.250 nan 0.000 0.494 309 G N 1.422 110.255 108.800 0.055 0.000 2.198 309 G HA2 -0.287 3.773 3.960 0.166 0.000 0.260 309 G HA3 -0.287 3.773 3.960 0.166 0.000 0.260 309 G C -0.104 174.849 174.900 0.089 0.000 1.025 309 G CA 0.424 45.570 45.100 0.076 0.000 0.769 309 G HN 0.256 nan 8.290 nan 0.000 0.507 310 T N 1.124 115.726 114.554 0.080 0.000 2.866 310 T HA 0.438 4.888 4.350 0.166 0.000 0.293 310 T C 1.106 175.940 174.700 0.223 0.000 1.005 310 T CA 0.535 62.691 62.100 0.093 0.000 1.162 310 T CB 1.154 69.987 68.868 -0.058 0.000 0.968 310 T HN 1.455 nan 8.240 nan 0.000 0.530 311 A N 3.145 126.079 122.820 0.191 0.000 2.406 311 A HA 0.623 5.043 4.320 0.166 0.000 0.243 311 A C 0.945 178.706 177.584 0.296 0.000 1.082 311 A CA -0.426 51.738 52.037 0.211 0.000 0.786 311 A CB -0.149 18.940 19.000 0.150 0.000 1.029 311 A HN 1.165 nan 8.150 nan 0.000 0.495 312 A N 2.219 125.178 122.820 0.232 0.000 2.555 312 A HA 0.447 4.867 4.320 0.166 0.000 0.233 312 A C -1.980 175.719 177.584 0.192 0.000 1.060 312 A CA -0.621 51.522 52.037 0.176 0.000 0.759 312 A CB -1.074 18.041 19.000 0.192 0.000 0.995 312 A HN 0.692 nan 8.150 nan 0.000 0.506 313 P HA 0.214 nan 4.420 nan 0.000 0.262 313 P C 0.844 178.176 177.300 0.053 0.000 1.151 313 P CA 2.166 65.325 63.100 0.097 0.000 0.757 313 P CB -0.076 31.666 31.700 0.068 0.000 0.754 314 G N 2.148 110.959 108.800 0.019 0.000 2.615 314 G HA2 -0.053 4.006 3.960 0.166 0.000 0.218 314 G HA3 -0.053 4.006 3.960 0.166 0.000 0.218 314 G C -0.417 174.453 174.900 -0.049 0.000 1.339 314 G CA -0.193 44.892 45.100 -0.025 0.000 0.884 314 G HN 0.836 nan 8.290 nan 0.000 0.559 315 S N 0.650 116.285 115.700 -0.109 0.000 2.578 315 S HA 0.709 5.279 4.470 0.166 0.000 0.283 315 S C -1.932 172.462 174.600 -0.345 0.000 1.195 315 S CA -0.640 57.465 58.200 -0.159 0.000 1.050 315 S CB 2.362 65.480 63.200 -0.137 0.000 1.012 315 S HN 0.804 nan 8.310 nan 0.000 0.511 316 P HA 0.170 nan 4.420 nan 0.000 0.232 316 P C -0.357 176.388 177.300 -0.924 0.000 1.738 316 P CA 0.316 62.951 63.100 -0.776 0.000 0.948 316 P CB -0.702 30.874 31.700 -0.208 0.000 1.943 317 T N 0.391 114.384 114.554 -0.934 0.000 2.932 317 T HA 0.452 4.902 4.350 0.166 0.000 0.318 317 T C -3.130 171.345 174.700 -0.376 0.000 1.265 317 T CA -2.209 59.584 62.100 -0.511 0.000 1.036 317 T CB 1.276 69.985 68.868 -0.266 0.000 1.209 317 T HN -0.237 nan 8.240 nan 0.000 0.484 318 P HA 0.277 nan 4.420 nan 0.000 0.261 318 P C 0.866 178.092 177.300 -0.123 0.000 1.183 318 P CA 1.345 64.358 63.100 -0.145 0.000 0.761 318 P CB 0.205 31.794 31.700 -0.185 0.000 0.785 319 G N 2.815 111.563 108.800 -0.088 0.000 2.155 319 G HA2 -0.231 3.829 3.960 0.166 0.000 0.257 319 G HA3 -0.231 3.829 3.960 0.166 0.000 0.257 319 G C 0.802 175.646 174.900 -0.093 0.000 0.983 319 G CA -0.057 44.995 45.100 -0.080 0.000 0.676 319 G HN 0.853 nan 8.290 nan 0.000 0.528 320 G N -0.137 108.588 108.800 -0.126 0.000 3.353 320 G HA2 0.585 4.645 3.960 0.166 0.000 0.247 320 G HA3 0.585 4.645 3.960 0.166 0.000 0.247 320 G C 0.483 175.321 174.900 -0.104 0.000 1.025 320 G CA 0.926 45.945 45.100 -0.135 0.000 1.863 320 G HN 1.730 nan 8.290 nan 0.000 0.635 321 V N -3.006 116.856 119.914 -0.085 0.000 3.181 321 V HA 0.546 4.766 4.120 0.166 0.000 0.307 321 V C 0.680 176.731 176.094 -0.073 0.000 1.310 321 V CA -0.631 61.620 62.300 -0.082 0.000 1.067 321 V CB 1.581 33.344 31.823 -0.099 0.000 1.081 321 V HN 0.127 nan 8.190 nan 0.000 0.453 322 D N -0.354 120.001 120.400 -0.075 0.000 2.183 322 D HA 0.084 4.823 4.640 0.166 0.000 0.203 322 D C 0.186 176.453 176.300 -0.055 0.000 0.969 322 D CA 1.411 55.376 54.000 -0.057 0.000 0.842 322 D CB 0.278 41.048 40.800 -0.051 0.000 0.957 322 D HN 0.548 nan 8.370 nan 0.000 0.484 323 L N 0.151 121.328 121.223 -0.076 0.000 2.516 323 L HA 0.635 5.075 4.340 0.166 0.000 0.267 323 L C -1.681 175.140 176.870 -0.082 0.000 0.957 323 L CA -0.799 54.004 54.840 -0.062 0.000 0.860 323 L CB 1.651 43.683 42.059 -0.044 0.000 1.265 323 L HN -0.091 nan 8.230 nan 0.000 0.403 324 A N 6.145 128.930 122.820 -0.059 0.000 2.249 324 A HA 0.746 5.166 4.320 0.166 0.000 0.314 324 A C -0.781 176.777 177.584 -0.043 0.000 1.290 324 A CA -0.501 51.499 52.037 -0.061 0.000 0.893 324 A CB 0.164 19.132 19.000 -0.053 0.000 1.165 324 A HN 0.721 nan 8.150 nan 0.000 0.530 325 L N 2.475 123.664 121.223 -0.057 0.000 2.399 325 L HA 0.437 4.876 4.340 0.166 0.000 0.266 325 L C 0.668 177.480 176.870 -0.096 0.000 1.114 325 L CA -0.591 54.208 54.840 -0.068 0.000 0.804 325 L CB 0.769 42.758 42.059 -0.118 0.000 1.146 325 L HN 0.764 nan 8.230 nan 0.000 0.451 326 N N 2.542 121.189 118.700 -0.088 0.000 2.372 326 N HA 0.362 5.202 4.740 0.166 0.000 0.285 326 N C -1.386 174.042 175.510 -0.137 0.000 1.008 326 N CA -0.657 52.321 53.050 -0.120 0.000 0.880 326 N CB 1.409 39.842 38.487 -0.090 0.000 1.239 326 N HN 0.472 nan 8.380 nan 0.000 0.484 327 M N 2.807 122.274 119.600 -0.222 0.000 2.055 327 M HA 0.299 4.878 4.480 0.166 0.000 0.347 327 M C -0.185 175.917 176.300 -0.330 0.000 1.123 327 M CA -0.712 54.468 55.300 -0.199 0.000 1.035 327 M CB 0.434 32.919 32.600 -0.191 0.000 1.484 327 M HN 0.457 nan 8.290 nan 0.000 0.428 328 A N 5.403 128.155 122.820 -0.114 0.000 2.310 328 A HA 0.653 5.072 4.320 0.166 0.000 0.300 328 A C -0.459 177.218 177.584 0.156 0.000 1.269 328 A CA -0.407 51.574 52.037 -0.093 0.000 0.909 328 A CB -0.125 18.873 19.000 -0.002 0.000 1.144 328 A HN 0.757 nan 8.150 nan 0.000 0.540 329 F N 1.948 122.003 119.950 0.175 0.000 2.389 329 F HA 0.566 5.193 4.527 0.166 0.000 0.337 329 F C 1.262 177.191 175.800 0.214 0.000 1.112 329 F CA 0.079 58.261 58.000 0.303 0.000 1.192 329 F CB 1.655 40.896 39.000 0.401 0.000 1.185 329 F HN 0.692 nan 8.300 nan 0.000 0.552 330 G N 1.430 110.478 108.800 0.412 0.000 2.721 330 G HA2 0.614 4.674 3.960 0.166 0.000 0.296 330 G HA3 0.614 4.674 3.960 0.166 0.000 0.296 330 G C -2.451 172.552 174.900 0.171 0.000 1.383 330 G CA -0.641 44.604 45.100 0.241 0.000 0.788 330 G HN 0.507 nan 8.290 nan 0.000 0.500 331 F N -0.031 119.853 119.950 -0.110 0.000 2.670 331 F HA 0.675 5.302 4.527 0.166 0.000 0.332 331 F C -0.665 175.027 175.800 -0.181 0.000 1.179 331 F CA -0.105 57.720 58.000 -0.291 0.000 1.076 331 F CB 1.582 40.266 39.000 -0.527 0.000 1.322 331 F HN 1.092 nan 8.300 nan 0.000 0.515 332 A N 3.294 125.716 122.820 -0.664 0.000 2.589 332 A HA 0.610 5.029 4.320 0.166 0.000 0.296 332 A C 0.377 177.640 177.584 -0.535 0.000 1.062 332 A CA -0.322 51.453 52.037 -0.436 0.000 0.686 332 A CB 1.151 20.038 19.000 -0.189 0.000 1.282 332 A HN 2.179 nan 8.150 nan 0.000 0.404 333 G N 0.189 108.775 108.800 -0.356 0.000 2.341 333 G HA2 0.176 4.236 3.960 0.166 0.000 0.292 333 G HA3 0.176 4.236 3.960 0.166 0.000 0.292 333 G C 1.773 176.464 174.900 -0.349 0.000 1.021 333 G CA 1.609 46.546 45.100 -0.271 0.000 0.905 333 G HN 2.933 nan 8.290 nan 0.000 0.508 334 G N -1.806 106.660 108.800 -0.556 0.000 2.155 334 G HA2 -0.306 3.754 3.960 0.166 0.000 0.257 334 G HA3 -0.306 3.754 3.960 0.166 0.000 0.257 334 G C 0.050 174.609 174.900 -0.567 0.000 0.983 334 G CA 0.728 45.564 45.100 -0.439 0.000 0.676 334 G HN 1.237 nan 8.290 nan 0.000 0.528 335 N N -0.848 117.317 118.700 -0.891 0.000 2.284 335 N HA 0.636 5.476 4.740 0.166 0.000 0.300 335 N C -0.449 174.701 175.510 -0.600 0.000 1.047 335 N CA -0.875 51.888 53.050 -0.478 0.000 0.821 335 N CB 1.101 39.464 38.487 -0.208 0.000 1.337 335 N HN 0.043 nan 8.380 nan 0.000 0.482 336 F N 0.937 120.820 119.950 -0.111 0.000 2.459 336 F HA 0.224 4.850 4.527 0.166 0.000 0.346 336 F C 1.380 177.184 175.800 0.006 0.000 1.128 336 F CA 0.048 57.989 58.000 -0.099 0.000 1.268 336 F CB 0.844 39.615 39.000 -0.382 0.000 1.161 336 F HN 0.314 nan 8.300 nan 0.000 0.583 337 T N 0.836 115.546 114.554 0.259 0.000 2.907 337 T HA 0.789 5.239 4.350 0.166 0.000 0.292 337 T C -0.788 174.198 174.700 0.478 0.000 1.043 337 T CA -0.820 61.464 62.100 0.306 0.000 1.003 337 T CB 1.597 70.573 68.868 0.181 0.000 1.084 337 T HN 0.408 nan 8.240 nan 0.000 0.483 338 I N 2.463 123.308 120.570 0.459 0.000 2.439 338 I HA 0.360 4.629 4.170 0.166 0.000 0.285 338 I C -0.347 175.979 176.117 0.348 0.000 1.021 338 I CA -0.976 60.614 61.300 0.483 0.000 1.091 338 I CB 1.531 39.826 38.000 0.492 0.000 1.242 338 I HN 0.719 nan 8.210 nan 0.000 0.439 339 N N 5.039 123.906 118.700 0.278 0.000 2.727 339 N HA -0.207 4.633 4.740 0.166 0.000 0.249 339 N C 0.936 176.554 175.510 0.180 0.000 1.048 339 N CA 1.405 54.582 53.050 0.211 0.000 0.714 339 N CB -0.907 37.732 38.487 0.254 0.000 0.959 339 N HN 1.185 nan 8.380 nan 0.000 0.544 340 G N -2.532 106.371 108.800 0.172 0.000 2.205 340 G HA2 -0.137 3.923 3.960 0.166 0.000 0.261 340 G HA3 -0.137 3.923 3.960 0.166 0.000 0.261 340 G C 0.160 175.134 174.900 0.123 0.000 0.980 340 G CA 0.794 45.968 45.100 0.125 0.000 0.632 340 G HN 1.245 nan 8.290 nan 0.000 0.533 341 A N -0.226 122.696 122.820 0.171 0.000 2.317 341 A HA 0.842 5.261 4.320 0.166 0.000 0.327 341 A C 0.180 177.895 177.584 0.218 0.000 1.178 341 A CA 0.655 52.791 52.037 0.164 0.000 0.817 341 A CB 1.600 20.702 19.000 0.169 0.000 1.189 341 A HN 1.258 nan 8.150 nan 0.000 0.489 342 S N 1.497 117.299 115.700 0.170 0.000 2.442 342 S HA 0.538 5.108 4.470 0.166 0.000 0.297 342 S C -0.639 174.099 174.600 0.229 0.000 1.131 342 S CA -0.424 57.901 58.200 0.209 0.000 1.092 342 S CB 0.042 63.312 63.200 0.116 0.000 0.998 342 S HN 0.570 nan 8.310 nan 0.000 0.478 343 F N 5.349 125.410 119.950 0.184 0.000 2.506 343 F HA 0.339 4.964 4.527 0.164 0.000 0.371 343 F C 0.759 176.640 175.800 0.135 0.000 1.078 343 F CA 0.069 58.176 58.000 0.178 0.000 1.195 343 F CB 0.501 39.644 39.000 0.238 0.000 1.099 343 F HN 0.538 nan 8.300 nan 0.000 0.548 344 T N 5.730 120.011 114.554 -0.456 0.000 2.807 344 T HA 0.499 4.949 4.350 0.166 0.000 0.279 344 T C -2.909 171.384 174.700 -0.679 0.000 0.993 344 T CA -2.461 59.430 62.100 -0.350 0.000 0.970 344 T CB 1.466 70.208 68.868 -0.211 0.000 0.950 344 T HN 0.309 nan 8.240 nan 0.000 0.441 345 P HA 0.207 nan 4.420 nan 0.000 0.263 345 P C -2.467 174.626 177.300 -0.345 0.000 1.195 345 P CA -1.026 61.936 63.100 -0.230 0.000 0.762 345 P CB -0.356 31.294 31.700 -0.084 0.000 0.799 346 P HA 0.041 nan 4.420 nan 0.000 0.276 346 P C 1.129 178.312 177.300 -0.194 0.000 1.244 346 P CA -0.092 62.895 63.100 -0.189 0.000 0.801 346 P CB 0.457 32.102 31.700 -0.092 0.000 1.006 347 T N -1.599 112.865 114.554 -0.150 0.000 2.821 347 T HA -0.006 4.444 4.350 0.166 0.000 0.267 347 T C 0.854 175.592 174.700 0.063 0.000 1.046 347 T CA 0.774 62.820 62.100 -0.091 0.000 1.139 347 T CB -0.627 68.206 68.868 -0.058 0.000 0.871 347 T HN 0.162 nan 8.240 nan 0.000 0.454 348 V N 4.243 124.182 119.914 0.041 0.000 2.364 348 V HA 0.359 4.579 4.120 0.166 0.000 0.272 348 V C -2.369 173.777 176.094 0.088 0.000 1.036 348 V CA -2.353 59.983 62.300 0.059 0.000 0.880 348 V CB 0.922 32.761 31.823 0.027 0.000 0.991 348 V HN 0.241 nan 8.190 nan 0.000 0.460 349 P HA 0.023 nan 4.420 nan 0.000 0.265 349 P C 1.170 178.513 177.300 0.072 0.000 1.187 349 P CA 0.190 63.347 63.100 0.094 0.000 0.766 349 P CB 0.666 32.386 31.700 0.033 0.000 0.820 350 V N 3.332 123.270 119.914 0.040 0.000 2.282 350 V HA -0.263 3.957 4.120 0.166 0.000 0.249 350 V C 2.217 178.319 176.094 0.014 0.000 1.057 350 V CA 1.931 64.240 62.300 0.015 0.000 1.032 350 V CB -1.144 30.668 31.823 -0.018 0.000 0.645 350 V HN 0.537 nan 8.190 nan 0.000 0.447 351 L N -0.282 120.952 121.223 0.017 0.000 2.013 351 L HA -0.180 4.259 4.340 0.166 0.000 0.212 351 L C 2.212 179.159 176.870 0.128 0.000 1.073 351 L CA 2.044 56.904 54.840 0.034 0.000 0.753 351 L CB -0.798 41.292 42.059 0.053 0.000 0.890 351 L HN 0.306 nan 8.230 nan 0.000 0.432 352 L N -0.562 120.804 121.223 0.238 0.000 2.083 352 L HA -0.218 4.222 4.340 0.166 0.000 0.209 352 L C 2.510 179.447 176.870 0.112 0.000 1.083 352 L CA 1.703 56.687 54.840 0.239 0.000 0.752 352 L CB -0.746 41.417 42.059 0.175 0.000 0.899 352 L HN 0.465 nan 8.230 nan 0.000 0.433 353 Q N -0.621 119.222 119.800 0.071 0.000 2.096 353 Q HA -0.227 4.212 4.340 0.166 0.000 0.204 353 Q C 2.255 178.274 176.000 0.032 0.000 0.982 353 Q CA 2.201 58.028 55.803 0.041 0.000 0.850 353 Q CB -0.275 28.480 28.738 0.027 0.000 0.901 353 Q HN 0.572 nan 8.270 nan 0.000 0.422 354 I N 0.592 121.177 120.570 0.026 0.000 2.179 354 I HA -0.282 3.988 4.170 0.166 0.000 0.242 354 I C 2.157 178.284 176.117 0.017 0.000 1.088 354 I CA 1.055 62.362 61.300 0.012 0.000 1.357 354 I CB -0.315 37.678 38.000 -0.011 0.000 1.051 354 I HN 0.205 nan 8.210 nan 0.000 0.409 355 L N -0.031 121.211 121.223 0.032 0.000 2.191 355 L HA -0.169 4.271 4.340 0.166 0.000 0.212 355 L C 2.208 179.102 176.870 0.039 0.000 1.103 355 L CA 1.061 55.922 54.840 0.035 0.000 0.769 355 L CB -0.562 41.535 42.059 0.064 0.000 0.908 355 L HN 0.196 nan 8.230 nan 0.000 0.438 356 S N -0.665 115.061 115.700 0.043 0.000 2.593 356 S HA 0.208 4.778 4.470 0.166 0.000 0.217 356 S C 1.347 175.961 174.600 0.022 0.000 0.966 356 S CA 0.698 58.919 58.200 0.034 0.000 0.914 356 S CB 0.620 63.841 63.200 0.035 0.000 0.776 356 S HN 0.661 nan 8.310 nan 0.000 0.523 357 G N 0.986 109.798 108.800 0.019 0.000 2.175 357 G HA2 -0.066 3.994 3.960 0.166 0.000 0.182 357 G HA3 -0.066 3.994 3.960 0.166 0.000 0.182 357 G C 0.114 175.020 174.900 0.011 0.000 1.003 357 G CA -0.362 44.746 45.100 0.013 0.000 0.666 357 G HN 0.731 nan 8.290 nan 0.000 0.506 358 A N -0.039 122.788 122.820 0.012 0.000 2.511 358 A HA 0.607 5.027 4.320 0.166 0.000 0.242 358 A C 1.094 178.684 177.584 0.010 0.000 1.069 358 A CA 1.250 53.293 52.037 0.010 0.000 0.763 358 A CB 0.284 19.290 19.000 0.010 0.000 1.001 358 A HN 0.522 nan 8.150 nan 0.000 0.498 359 Q N 0.665 120.471 119.800 0.010 0.000 2.353 359 Q HA 0.145 4.584 4.340 0.166 0.000 0.240 359 Q C 0.320 176.329 176.000 0.014 0.000 0.868 359 Q CA 0.726 56.536 55.803 0.012 0.000 0.944 359 Q CB 0.503 29.247 28.738 0.010 0.000 1.104 359 Q HN 0.911 nan 8.270 nan 0.000 0.531 360 S N -1.735 113.972 115.700 0.011 0.000 2.651 360 S HA 0.664 5.234 4.470 0.166 0.000 0.279 360 S C 0.551 175.156 174.600 0.007 0.000 1.148 360 S CA -0.345 57.862 58.200 0.011 0.000 0.837 360 S CB 1.402 64.606 63.200 0.005 0.000 1.138 360 S HN 0.051 nan 8.310 nan 0.000 0.478 361 A N 1.213 124.035 122.820 0.004 0.000 1.948 361 A HA 0.131 4.551 4.320 0.166 0.000 0.220 361 A C 2.307 179.874 177.584 -0.029 0.000 1.177 361 A CA 2.238 54.266 52.037 -0.015 0.000 0.636 361 A CB -1.665 17.307 19.000 -0.046 0.000 0.815 361 A HN 1.579 nan 8.150 nan 0.000 0.449 362 A N -0.258 122.547 122.820 -0.026 0.000 1.972 362 A HA -0.175 4.244 4.320 0.166 0.000 0.219 362 A C 1.732 179.306 177.584 -0.017 0.000 1.169 362 A CA 1.883 53.905 52.037 -0.025 0.000 0.635 362 A CB -0.516 18.473 19.000 -0.019 0.000 0.810 362 A HN 0.465 nan 8.150 nan 0.000 0.446 363 D N -0.451 119.943 120.400 -0.010 0.000 2.178 363 D HA 0.051 4.790 4.640 0.166 0.000 0.202 363 D C 0.801 177.098 176.300 -0.006 0.000 0.974 363 D CA 0.652 54.649 54.000 -0.006 0.000 0.841 363 D CB -0.079 40.721 40.800 -0.000 0.000 0.953 363 D HN 0.414 nan 8.370 nan 0.000 0.478 364 L N -0.005 121.216 121.223 -0.003 0.000 2.400 364 L HA 0.483 4.922 4.340 0.166 0.000 0.264 364 L C -0.182 176.687 176.870 -0.002 0.000 1.061 364 L CA -0.605 54.236 54.840 0.003 0.000 0.799 364 L CB 1.688 43.757 42.059 0.016 0.000 1.240 364 L HN -0.178 nan 8.230 nan 0.000 0.461 365 L N 2.185 123.408 121.223 -0.001 0.000 2.710 365 L HA 0.310 4.749 4.340 0.166 0.000 0.262 365 L C -2.658 174.190 176.870 -0.037 0.000 0.940 365 L CA -1.271 53.550 54.840 -0.032 0.000 0.944 365 L CB 2.795 44.832 42.059 -0.036 0.000 1.348 365 L HN 0.322 nan 8.230 nan 0.000 0.425 366 P HA 0.214 nan 4.420 nan 0.000 0.279 366 P C -0.404 176.870 177.300 -0.043 0.000 1.239 366 P CA -0.350 62.674 63.100 -0.127 0.000 0.789 366 P CB 1.405 32.932 31.700 -0.288 0.000 0.933 367 A N 2.436 125.230 122.820 -0.043 0.000 2.548 367 A HA 0.401 4.821 4.320 0.166 0.000 0.247 367 A C 1.534 179.112 177.584 -0.010 0.000 1.067 367 A CA 0.871 52.892 52.037 -0.027 0.000 0.757 367 A CB -1.537 17.446 19.000 -0.029 0.000 0.996 367 A HN 0.908 nan 8.150 nan 0.000 0.504 368 G N 1.509 110.294 108.800 -0.024 0.000 2.199 368 G HA2 -0.250 3.809 3.960 0.166 0.000 0.254 368 G HA3 -0.250 3.809 3.960 0.166 0.000 0.254 368 G C 0.886 175.794 174.900 0.013 0.000 0.982 368 G CA 0.717 45.803 45.100 -0.024 0.000 0.632 368 G HN 1.233 nan 8.290 nan 0.000 0.529 369 S N -0.773 114.976 115.700 0.082 0.000 2.539 369 S HA 0.484 5.054 4.470 0.166 0.000 0.221 369 S C 0.461 175.234 174.600 0.288 0.000 0.987 369 S CA 0.523 58.883 58.200 0.267 0.000 0.929 369 S CB 1.216 64.669 63.200 0.421 0.000 0.832 369 S HN 0.535 nan 8.310 nan 0.000 0.492 370 V N 2.112 122.065 119.914 0.065 0.000 2.495 370 V HA 0.487 4.707 4.120 0.166 0.000 0.298 370 V C -1.398 174.638 176.094 -0.098 0.000 1.031 370 V CA -0.751 61.617 62.300 0.112 0.000 0.871 370 V CB 1.125 33.002 31.823 0.089 0.000 0.988 370 V HN 0.277 nan 8.190 nan 0.000 0.432 371 Y N 1.692 122.065 120.300 0.122 0.000 2.328 371 Y HA 0.476 5.125 4.550 0.165 0.000 0.336 371 Y C 0.616 176.577 175.900 0.102 0.000 0.960 371 Y CA -0.423 57.741 58.100 0.106 0.000 1.134 371 Y CB 2.111 40.641 38.460 0.116 0.000 1.166 371 Y HN 0.593 nan 8.280 nan 0.000 0.464 372 S N 4.530 120.334 115.700 0.173 0.000 2.528 372 S HA 0.548 5.117 4.470 0.166 0.000 0.277 372 S C -0.647 174.048 174.600 0.158 0.000 1.297 372 S CA -0.435 57.849 58.200 0.139 0.000 1.052 372 S CB -0.092 63.158 63.200 0.083 0.000 0.917 372 S HN 0.573 nan 8.310 nan 0.000 0.492 373 L N 6.851 128.169 121.223 0.157 0.000 2.329 373 L HA 0.550 4.989 4.340 0.166 0.000 0.279 373 L C -2.009 174.922 176.870 0.103 0.000 1.014 373 L CA -2.386 52.535 54.840 0.135 0.000 0.814 373 L CB 1.859 44.026 42.059 0.180 0.000 1.257 373 L HN 0.502 nan 8.230 nan 0.000 0.424 374 P HA 0.140 nan 4.420 nan 0.000 0.272 374 P C -0.742 176.597 177.300 0.066 0.000 1.230 374 P CA -0.416 62.716 63.100 0.054 0.000 0.788 374 P CB 0.940 32.657 31.700 0.027 0.000 0.949 375 A N 2.296 125.157 122.820 0.067 0.000 2.425 375 A HA 0.201 4.620 4.320 0.166 0.000 0.249 375 A C 0.665 178.288 177.584 0.065 0.000 1.084 375 A CA -0.268 51.818 52.037 0.081 0.000 0.781 375 A CB -0.786 18.259 19.000 0.075 0.000 1.019 375 A HN 0.703 nan 8.150 nan 0.000 0.490 376 N N -1.325 117.424 118.700 0.081 0.000 2.738 376 N HA -0.174 4.666 4.740 0.166 0.000 0.249 376 N C -0.157 175.374 175.510 0.034 0.000 1.047 376 N CA 1.266 54.355 53.050 0.065 0.000 0.707 376 N CB -1.505 37.017 38.487 0.059 0.000 0.937 376 N HN 1.262 nan 8.380 nan 0.000 0.545 377 A N -0.056 122.774 122.820 0.017 0.000 2.486 377 A HA 0.700 5.120 4.320 0.166 0.000 0.289 377 A C -0.920 176.620 177.584 -0.072 0.000 1.176 377 A CA -0.649 51.374 52.037 -0.024 0.000 0.757 377 A CB 1.272 20.253 19.000 -0.031 0.000 1.337 377 A HN 0.191 nan 8.150 nan 0.000 0.423 378 D N 0.306 120.646 120.400 -0.101 0.000 2.278 378 D HA 0.580 5.319 4.640 0.166 0.000 0.245 378 D C -0.645 175.506 176.300 -0.249 0.000 1.052 378 D CA -0.265 53.638 54.000 -0.161 0.000 0.834 378 D CB 1.057 41.803 40.800 -0.090 0.000 1.194 378 D HN 0.234 nan 8.370 nan 0.000 0.481 379 I N 0.485 120.785 120.570 -0.450 0.000 2.569 379 I HA 0.438 4.707 4.170 0.166 0.000 0.296 379 I C -0.047 175.828 176.117 -0.403 0.000 1.028 379 I CA -0.835 60.150 61.300 -0.525 0.000 1.082 379 I CB 1.537 38.925 38.000 -1.021 0.000 1.264 379 I HN 0.582 nan 8.210 nan 0.000 0.429 380 E N 5.564 125.629 120.200 -0.225 0.000 2.210 380 E HA 0.683 5.132 4.350 0.166 0.000 0.266 380 E C -1.626 174.919 176.600 -0.091 0.000 0.883 380 E CA -0.524 55.807 56.400 -0.115 0.000 0.761 380 E CB 2.115 31.781 29.700 -0.056 0.000 1.156 380 E HN 0.507 nan 8.360 nan 0.000 0.412 381 I N 3.444 123.975 120.570 -0.065 0.000 2.466 381 I HA 0.251 4.521 4.170 0.166 0.000 0.289 381 I C -0.517 175.525 176.117 -0.125 0.000 1.026 381 I CA -0.848 60.396 61.300 -0.094 0.000 1.078 381 I CB 2.019 39.970 38.000 -0.082 0.000 1.249 381 I HN 0.461 nan 8.210 nan 0.000 0.429 382 S N 6.615 122.233 115.700 -0.135 0.000 2.489 382 S HA 0.753 5.322 4.470 0.166 0.000 0.291 382 S C -0.537 173.909 174.600 -0.256 0.000 1.151 382 S CA -0.737 57.372 58.200 -0.151 0.000 1.082 382 S CB 1.744 64.886 63.200 -0.096 0.000 1.019 382 S HN 0.496 nan 8.310 nan 0.000 0.492 383 L N 2.675 123.720 121.223 -0.298 0.000 2.637 383 L HA 0.381 4.820 4.340 0.166 0.000 0.241 383 L C -2.533 174.061 176.870 -0.461 0.000 1.398 383 L CA -1.549 53.010 54.840 -0.469 0.000 0.895 383 L CB 1.026 42.848 42.059 -0.394 0.000 1.183 383 L HN 0.474 nan 8.230 nan 0.000 0.497 384 P HA 0.102 nan 4.420 nan 0.000 0.267 384 P C 0.014 177.165 177.300 -0.249 0.000 1.205 384 P CA 0.091 63.022 63.100 -0.282 0.000 0.765 384 P CB 1.144 32.711 31.700 -0.221 0.000 0.828 385 A N 3.372 126.163 122.820 -0.048 0.000 2.386 385 A HA 0.510 4.930 4.320 0.166 0.000 0.248 385 A C 0.491 178.098 177.584 0.039 0.000 1.082 385 A CA 0.324 52.425 52.037 0.106 0.000 0.789 385 A CB -0.093 18.931 19.000 0.039 0.000 1.025 385 A HN 0.586 nan 8.150 nan 0.000 0.490 386 T N -0.541 114.098 114.554 0.142 0.000 2.932 386 T HA 0.494 4.944 4.350 0.166 0.000 0.318 386 T C 0.633 175.404 174.700 0.118 0.000 1.265 386 T CA 0.257 62.406 62.100 0.081 0.000 1.036 386 T CB 1.210 70.157 68.868 0.133 0.000 1.209 386 T HN 1.480 nan 8.240 nan 0.000 0.484 387 A N 2.426 125.280 122.820 0.057 0.000 2.121 387 A HA 0.348 4.767 4.320 0.166 0.000 0.218 387 A C 2.322 180.037 177.584 0.218 0.000 1.154 387 A CA 1.685 53.845 52.037 0.205 0.000 0.679 387 A CB -0.866 18.231 19.000 0.161 0.000 0.795 387 A HN 1.259 nan 8.150 nan 0.000 0.458 388 A N -0.851 122.076 122.820 0.178 0.000 2.216 388 A HA 0.410 4.830 4.320 0.166 0.000 0.214 388 A C 1.244 178.939 177.584 0.184 0.000 1.160 388 A CA 1.103 53.236 52.037 0.161 0.000 0.725 388 A CB -0.493 18.598 19.000 0.152 0.000 0.784 388 A HN 1.142 nan 8.150 nan 0.000 0.472 389 A N 1.041 124.027 122.820 0.277 0.000 2.664 389 A HA 0.623 5.042 4.320 0.166 0.000 0.338 389 A C -2.889 174.966 177.584 0.452 0.000 1.280 389 A CA -1.584 50.629 52.037 0.294 0.000 0.809 389 A CB 0.659 19.876 19.000 0.361 0.000 1.114 389 A HN 0.199 nan 8.150 nan 0.000 0.479 390 P HA 0.345 nan 4.420 nan 0.000 0.279 390 P C 0.811 178.150 177.300 0.065 0.000 1.252 390 P CA 0.729 63.824 63.100 -0.007 0.000 0.811 390 P CB 1.031 32.522 31.700 -0.348 0.000 1.035 391 G N 2.318 111.024 108.800 -0.157 0.000 2.390 391 G HA2 -0.270 3.789 3.960 0.166 0.000 0.299 391 G HA3 -0.270 3.789 3.960 0.166 0.000 0.299 391 G C 0.178 174.890 174.900 -0.314 0.000 1.002 391 G CA 0.186 45.156 45.100 -0.216 0.000 0.979 391 G HN 0.708 nan 8.290 nan 0.000 0.513 392 F N -0.885 118.631 119.950 -0.723 0.000 2.029 392 F HA 0.092 4.718 4.527 0.166 0.000 0.400 392 F C -1.237 174.493 175.800 -0.118 0.000 0.740 392 F CA -0.990 56.777 58.000 -0.388 0.000 0.985 392 F CB -0.773 38.198 39.000 -0.049 0.000 0.810 392 F HN 0.257 nan 8.300 nan 0.000 0.555 393 P HA 0.166 nan 4.420 nan 0.000 0.281 393 P C -1.060 176.305 177.300 0.108 0.000 1.252 393 P CA -0.116 63.123 63.100 0.231 0.000 0.778 393 P CB 0.724 32.599 31.700 0.292 0.000 0.895 394 H N 4.515 123.791 119.070 0.342 0.000 2.652 394 H HA 0.221 4.876 4.556 0.166 0.000 0.298 394 H C -2.008 173.454 175.328 0.224 0.000 1.076 394 H CA -1.917 54.313 56.048 0.303 0.000 1.360 394 H CB 0.683 30.676 29.762 0.384 0.000 1.421 394 H HN 0.314 nan 8.280 nan 0.000 0.464 395 P HA 0.139 nan 4.420 nan 0.000 0.286 395 P C -0.547 176.848 177.300 0.158 0.000 1.321 395 P CA -0.283 62.911 63.100 0.156 0.000 0.790 395 P CB 0.058 31.860 31.700 0.171 0.000 0.897 396 F N 4.127 124.091 119.950 0.025 0.000 2.385 396 F HA 0.328 4.955 4.527 0.167 0.000 0.336 396 F C 1.483 177.348 175.800 0.107 0.000 1.100 396 F CA 0.366 58.343 58.000 -0.038 0.000 1.116 396 F CB 0.851 39.760 39.000 -0.152 0.000 1.166 396 F HN 0.413 nan 8.300 nan 0.000 0.511 397 H N 3.014 122.088 119.070 0.007 0.000 2.768 397 H HA 0.571 5.226 4.556 0.165 0.000 0.371 397 H C -2.056 173.326 175.328 0.089 0.000 1.151 397 H CA -1.331 54.798 56.048 0.134 0.000 1.165 397 H CB 1.675 31.555 29.762 0.196 0.000 1.722 397 H HN 0.593 nan 8.280 nan 0.000 0.543 398 L N 3.933 125.280 121.223 0.208 0.000 2.305 398 L HA 0.292 4.731 4.340 0.166 0.000 0.284 398 L C -0.252 176.723 176.870 0.176 0.000 1.013 398 L CA -0.360 54.547 54.840 0.112 0.000 0.819 398 L CB 0.678 42.774 42.059 0.063 0.000 1.227 398 L HN 0.697 nan 8.230 nan 0.000 0.417 399 H N 3.796 122.907 119.070 0.068 0.000 2.690 399 H HA 0.253 4.908 4.556 0.165 0.000 0.365 399 H C 0.983 176.203 175.328 -0.179 0.000 1.142 399 H CA 0.652 56.764 56.048 0.108 0.000 1.417 399 H CB 0.945 30.878 29.762 0.285 0.000 1.446 399 H HN 0.948 nan 8.280 nan 0.000 0.599 400 G N 1.505 110.078 108.800 -0.379 0.000 2.168 400 G HA2 -0.269 3.791 3.960 0.166 0.000 0.263 400 G HA3 -0.269 3.791 3.960 0.166 0.000 0.263 400 G C -0.225 174.021 174.900 -1.090 0.000 0.977 400 G CA 0.766 45.093 45.100 -1.287 0.000 0.659 400 G HN 0.853 nan 8.290 nan 0.000 0.533 401 H N -2.561 116.357 119.070 -0.252 0.000 3.046 401 H HA 0.607 5.263 4.556 0.167 0.000 0.361 401 H C -0.592 174.773 175.328 0.062 0.000 1.235 401 H CA -0.196 55.704 56.048 -0.247 0.000 1.146 401 H CB 2.120 31.686 29.762 -0.327 0.000 1.859 401 H HN 0.421 nan 8.280 nan 0.000 0.548 402 V N 2.965 123.017 119.914 0.230 0.000 2.716 402 V HA 0.624 4.843 4.120 0.166 0.000 0.304 402 V C -1.227 175.003 176.094 0.226 0.000 1.053 402 V CA -0.368 62.034 62.300 0.171 0.000 0.984 402 V CB 0.597 32.607 31.823 0.311 0.000 1.021 402 V HN 0.644 nan 8.190 nan 0.000 0.467 403 F N 3.549 123.625 119.950 0.211 0.000 2.588 403 F HA 0.911 5.538 4.527 0.165 0.000 0.314 403 F C -0.057 175.609 175.800 -0.223 0.000 1.069 403 F CA -1.246 56.804 58.000 0.084 0.000 0.931 403 F CB 1.123 40.156 39.000 0.055 0.000 1.260 403 F HN 0.641 nan 8.300 nan 0.000 0.465 404 A N 1.645 124.258 122.820 -0.345 0.000 2.362 404 A HA 0.566 4.986 4.320 0.166 0.000 0.276 404 A C -0.510 177.029 177.584 -0.074 0.000 1.153 404 A CA -0.599 51.029 52.037 -0.683 0.000 0.813 404 A CB 0.174 18.696 19.000 -0.797 0.000 1.081 404 A HN 0.755 nan 8.150 nan 0.000 0.507 405 V N 5.663 125.571 119.914 -0.011 0.000 2.276 405 V HA 0.047 4.267 4.120 0.166 0.000 0.249 405 V C 1.562 177.618 176.094 -0.062 0.000 1.160 405 V CA 0.480 62.807 62.300 0.045 0.000 1.042 405 V CB 0.059 31.939 31.823 0.094 0.000 1.224 405 V HN 0.907 nan 8.190 nan 0.000 0.496 406 V N 2.253 122.116 119.914 -0.085 0.000 2.515 406 V HA 0.084 4.304 4.120 0.166 0.000 0.250 406 V C 1.015 176.970 176.094 -0.232 0.000 1.058 406 V CA 1.010 63.214 62.300 -0.160 0.000 1.064 406 V CB -0.409 31.326 31.823 -0.145 0.000 0.675 406 V HN 0.715 nan 8.190 nan 0.000 0.461 407 R N 0.008 120.369 120.500 -0.230 0.000 2.538 407 R HA 0.578 5.018 4.340 0.166 0.000 0.292 407 R C -0.900 175.268 176.300 -0.219 0.000 1.008 407 R CA -0.164 55.718 56.100 -0.363 0.000 0.896 407 R CB 2.117 31.984 30.300 -0.721 0.000 1.187 407 R HN 0.383 nan 8.270 nan 0.000 0.440 408 S N 1.682 117.274 115.700 -0.180 0.000 2.687 408 S HA 0.586 5.156 4.470 0.166 0.000 0.283 408 S C -0.410 174.128 174.600 -0.103 0.000 1.170 408 S CA -0.564 57.573 58.200 -0.104 0.000 1.008 408 S CB 1.663 64.828 63.200 -0.058 0.000 1.026 408 S HN 0.752 nan 8.310 nan 0.000 0.541 409 A N 0.444 123.223 122.820 -0.069 0.000 2.511 409 A HA 0.503 4.922 4.320 0.166 0.000 0.242 409 A C 1.418 178.989 177.584 -0.022 0.000 1.069 409 A CA 0.353 52.363 52.037 -0.046 0.000 0.763 409 A CB -1.096 17.883 19.000 -0.034 0.000 1.001 409 A HN 1.790 nan 8.150 nan 0.000 0.498 410 G N 0.568 109.355 108.800 -0.022 0.000 2.179 410 G HA2 -0.148 3.911 3.960 0.166 0.000 0.260 410 G HA3 -0.148 3.911 3.960 0.166 0.000 0.260 410 G C 0.433 175.316 174.900 -0.028 0.000 0.977 410 G CA 0.761 45.856 45.100 -0.007 0.000 0.641 410 G HN 1.849 nan 8.290 nan 0.000 0.533 411 S N -0.995 114.667 115.700 -0.063 0.000 2.503 411 S HA 0.728 5.298 4.470 0.166 0.000 0.301 411 S C 1.079 175.605 174.600 -0.124 0.000 1.087 411 S CA 0.598 58.746 58.200 -0.085 0.000 1.042 411 S CB 1.890 65.026 63.200 -0.106 0.000 1.043 411 S HN 0.436 nan 8.310 nan 0.000 0.489 412 S N 1.880 117.521 115.700 -0.098 0.000 2.556 412 S HA 0.157 4.727 4.470 0.166 0.000 0.216 412 S C 0.673 175.202 174.600 -0.118 0.000 0.970 412 S CA 0.133 58.281 58.200 -0.088 0.000 0.912 412 S CB 0.087 63.272 63.200 -0.025 0.000 0.790 412 S HN 0.922 nan 8.310 nan 0.000 0.504 413 T N -0.482 113.971 114.554 -0.168 0.000 2.945 413 T HA 0.663 5.113 4.350 0.166 0.000 0.286 413 T C -0.940 173.558 174.700 -0.337 0.000 1.025 413 T CA -0.603 61.425 62.100 -0.120 0.000 1.039 413 T CB 0.920 69.758 68.868 -0.049 0.000 1.068 413 T HN 0.057 nan 8.240 nan 0.000 0.497 414 Y N 1.136 121.355 120.300 -0.136 0.000 2.352 414 Y HA 0.576 5.226 4.550 0.166 0.000 0.339 414 Y C 0.356 176.025 175.900 -0.386 0.000 0.992 414 Y CA -1.052 56.860 58.100 -0.312 0.000 1.100 414 Y CB 1.716 39.962 38.460 -0.357 0.000 1.192 414 Y HN 0.712 nan 8.280 nan 0.000 0.458 415 N N 2.395 120.887 118.700 -0.347 0.000 2.531 415 N HA 0.177 5.017 4.740 0.166 0.000 0.268 415 N C -0.972 174.357 175.510 -0.301 0.000 1.023 415 N CA -0.517 52.392 53.050 -0.236 0.000 0.896 415 N CB 0.427 38.850 38.487 -0.106 0.000 1.233 415 N HN 0.532 nan 8.380 nan 0.000 0.512 416 Y N 1.545 121.889 120.300 0.073 0.000 2.497 416 Y HA 0.338 4.987 4.550 0.166 0.000 0.265 416 Y C 1.984 177.923 175.900 0.065 0.000 1.111 416 Y CA 0.481 58.616 58.100 0.059 0.000 1.288 416 Y CB 0.116 38.604 38.460 0.047 0.000 1.082 416 Y HN 0.655 nan 8.280 nan 0.000 0.536 417 A N 1.163 124.094 122.820 0.184 0.000 1.898 417 A HA -0.068 4.352 4.320 0.166 0.000 0.214 417 A C 0.950 178.610 177.584 0.126 0.000 1.183 417 A CA 1.431 53.554 52.037 0.143 0.000 0.622 417 A CB -0.662 18.406 19.000 0.115 0.000 0.824 417 A HN 0.625 nan 8.150 nan 0.000 0.444 418 N N -1.643 117.121 118.700 0.108 0.000 2.620 418 N HA 0.188 5.028 4.740 0.166 0.000 0.277 418 N C -3.248 172.325 175.510 0.104 0.000 1.726 418 N CA -1.090 52.030 53.050 0.116 0.000 0.840 418 N CB 1.001 39.545 38.487 0.095 0.000 1.379 418 N HN 0.134 nan 8.380 nan 0.000 0.506 419 P HA 0.012 nan 4.420 nan 0.000 0.274 419 P C 0.622 177.990 177.300 0.113 0.000 1.237 419 P CA -0.129 62.998 63.100 0.044 0.000 0.793 419 P CB 1.734 33.413 31.700 -0.036 0.000 0.977 420 V N 3.156 123.120 119.914 0.085 0.000 2.901 420 V HA -0.062 4.157 4.120 0.166 0.000 0.307 420 V C -0.586 175.598 176.094 0.150 0.000 1.084 420 V CA 0.659 63.039 62.300 0.134 0.000 1.184 420 V CB -0.856 31.021 31.823 0.090 0.000 0.941 420 V HN 0.314 nan 8.190 nan 0.000 0.493 421 Y N 6.560 126.876 120.300 0.026 0.000 2.420 421 Y HA 0.767 5.417 4.550 0.166 0.000 0.334 421 Y C 0.562 176.395 175.900 -0.113 0.000 1.094 421 Y CA -0.462 57.630 58.100 -0.013 0.000 1.126 421 Y CB 1.524 39.993 38.460 0.014 0.000 1.217 421 Y HN 0.785 nan 8.280 nan 0.000 0.462 422 R N -0.114 120.277 120.500 -0.181 0.000 3.034 422 R HA 0.441 4.880 4.340 0.166 0.000 0.264 422 R C -1.268 174.557 176.300 -0.791 0.000 1.030 422 R CA -0.527 55.377 56.100 -0.327 0.000 0.903 422 R CB 0.739 30.915 30.300 -0.206 0.000 1.414 422 R HN 0.523 nan 8.270 nan 0.000 0.429 423 D N -0.791 119.290 120.400 -0.531 0.000 2.514 423 D HA 0.211 4.951 4.640 0.166 0.000 0.225 423 D C -0.490 175.866 176.300 0.093 0.000 1.159 423 D CA -0.056 53.680 54.000 -0.440 0.000 0.823 423 D CB 1.006 41.748 40.800 -0.097 0.000 1.097 423 D HN 0.161 nan 8.370 nan 0.000 0.519 424 V N 0.942 120.941 119.914 0.141 0.000 2.577 424 V HA 0.602 4.822 4.120 0.166 0.000 0.303 424 V C -1.034 175.219 176.094 0.264 0.000 1.042 424 V CA -1.077 61.409 62.300 0.310 0.000 0.872 424 V CB 2.255 34.182 31.823 0.174 0.000 0.998 424 V HN 0.055 nan 8.190 nan 0.000 0.423 425 V N 4.083 124.183 119.914 0.310 0.000 2.638 425 V HA 0.579 4.798 4.120 0.166 0.000 0.306 425 V C 0.186 176.264 176.094 -0.026 0.000 1.052 425 V CA -0.205 62.188 62.300 0.154 0.000 0.885 425 V CB 2.416 34.394 31.823 0.257 0.000 0.999 425 V HN 0.984 nan 8.190 nan 0.000 0.424 426 S N 3.659 119.158 115.700 -0.335 0.000 2.525 426 S HA 0.090 4.660 4.470 0.166 0.000 0.285 426 S C 1.372 175.870 174.600 -0.170 0.000 1.283 426 S CA 0.399 58.287 58.200 -0.520 0.000 1.072 426 S CB 0.868 63.254 63.200 -1.356 0.000 0.867 426 S HN 1.202 nan 8.310 nan 0.000 0.492 427 T N 2.629 117.191 114.554 0.012 0.000 3.129 427 T HA 0.431 4.880 4.350 0.166 0.000 0.251 427 T C 1.334 176.083 174.700 0.081 0.000 1.117 427 T CA 0.428 62.580 62.100 0.086 0.000 1.034 427 T CB -0.915 68.103 68.868 0.249 0.000 0.968 427 T HN 1.466 nan 8.240 nan 0.000 0.526 428 G N 1.501 110.330 108.800 0.048 0.000 2.539 428 G HA2 0.176 4.236 3.960 0.166 0.000 0.256 428 G HA3 0.176 4.236 3.960 0.166 0.000 0.256 428 G C -0.040 174.911 174.900 0.085 0.000 1.233 428 G CA -0.202 44.934 45.100 0.060 0.000 0.936 428 G HN 1.346 nan 8.290 nan 0.000 0.571 429 A N 0.228 123.040 122.820 -0.013 0.000 2.354 429 A HA 0.896 5.316 4.320 0.166 0.000 0.321 429 A C -2.577 174.828 177.584 -0.298 0.000 1.125 429 A CA -0.992 50.909 52.037 -0.227 0.000 0.799 429 A CB 1.262 20.223 19.000 -0.065 0.000 1.293 429 A HN 0.665 nan 8.150 nan 0.000 0.452 430 P HA 0.221 nan 4.420 nan 0.000 0.260 430 P C 1.012 178.223 177.300 -0.148 0.000 1.172 430 P CA 2.294 65.223 63.100 -0.284 0.000 0.760 430 P CB 0.487 32.007 31.700 -0.299 0.000 0.773 431 G N 2.333 111.075 108.800 -0.098 0.000 2.339 431 G HA2 -0.167 3.892 3.960 0.166 0.000 0.209 431 G HA3 -0.167 3.892 3.960 0.166 0.000 0.209 431 G C 0.088 174.953 174.900 -0.060 0.000 1.015 431 G CA -0.384 44.678 45.100 -0.064 0.000 0.635 431 G HN 0.489 nan 8.290 nan 0.000 0.499 432 D N 0.639 120.997 120.400 -0.069 0.000 2.368 432 D HA 0.430 5.170 4.640 0.166 0.000 0.240 432 D C 0.095 176.350 176.300 -0.075 0.000 1.169 432 D CA 0.323 54.281 54.000 -0.069 0.000 0.906 432 D CB 0.827 41.592 40.800 -0.058 0.000 1.187 432 D HN 0.201 nan 8.370 nan 0.000 0.435 433 N N 1.124 119.769 118.700 -0.091 0.000 2.711 433 N HA 0.076 4.915 4.740 0.166 0.000 0.263 433 N C -1.457 173.984 175.510 -0.115 0.000 1.667 433 N CA -0.302 52.694 53.050 -0.089 0.000 0.785 433 N CB 0.321 38.789 38.487 -0.032 0.000 1.231 433 N HN -0.019 nan 8.380 nan 0.000 0.503 434 V N 1.436 121.277 119.914 -0.122 0.000 2.557 434 V HA 0.122 4.342 4.120 0.166 0.000 0.301 434 V C 0.463 176.477 176.094 -0.132 0.000 1.026 434 V CA 0.644 62.866 62.300 -0.130 0.000 1.137 434 V CB 0.538 32.299 31.823 -0.103 0.000 0.917 434 V HN 0.423 nan 8.190 nan 0.000 0.484 435 T N 6.561 121.045 114.554 -0.116 0.000 2.928 435 T HA 0.643 5.093 4.350 0.166 0.000 0.296 435 T C -0.393 174.259 174.700 -0.079 0.000 1.000 435 T CA -0.317 61.742 62.100 -0.068 0.000 0.989 435 T CB 1.312 70.225 68.868 0.075 0.000 1.005 435 T HN 0.665 nan 8.240 nan 0.000 0.442 436 I N 0.000 120.503 120.570 -0.112 0.000 2.846 436 I HA 0.844 5.114 4.170 0.166 0.000 0.307 436 I C -0.894 175.223 176.117 0.001 0.000 1.053 436 I CA -1.325 59.910 61.300 -0.107 0.000 1.050 436 I CB 2.243 39.971 38.000 -0.455 0.000 1.239 436 I HN 0.379 nan 8.210 nan 0.000 0.439 437 R N 3.359 123.903 120.500 0.074 0.000 2.673 437 R HA 0.722 5.161 4.340 0.166 0.000 0.281 437 R C -1.606 174.829 176.300 0.227 0.000 0.991 437 R CA -0.587 55.556 56.100 0.072 0.000 0.896 437 R CB 2.510 32.825 30.300 0.026 0.000 1.201 437 R HN 0.762 nan 8.270 nan 0.000 0.457 438 F N -1.604 118.346 119.950 0.000 0.000 2.685 438 F HA 0.636 5.263 4.527 0.167 0.000 0.315 438 F C -0.983 174.810 175.800 -0.011 0.000 1.126 438 F CA -1.509 56.505 58.000 0.023 0.000 0.950 438 F CB 1.324 40.309 39.000 -0.025 0.000 1.360 438 F HN 0.145 nan 8.300 nan 0.000 0.469 439 R N 0.333 120.926 120.500 0.156 0.000 2.407 439 R HA 0.446 4.886 4.340 0.166 0.000 0.303 439 R C -0.726 175.670 176.300 0.160 0.000 0.981 439 R CA -0.677 55.460 56.100 0.062 0.000 0.905 439 R CB 1.651 32.019 30.300 0.112 0.000 1.099 439 R HN 0.799 nan 8.270 nan 0.000 0.459 440 T N -0.913 113.692 114.554 0.086 0.000 3.781 440 T HA 0.045 4.494 4.350 0.166 0.000 0.286 440 T C 0.182 175.030 174.700 0.247 0.000 1.277 440 T CA -0.747 61.487 62.100 0.223 0.000 1.136 440 T CB -0.278 68.679 68.868 0.148 0.000 1.202 440 T HN 0.583 nan 8.240 nan 0.000 0.884 441 D N 0.581 121.163 120.400 0.303 0.000 2.463 441 D HA 0.102 4.842 4.640 0.166 0.000 0.224 441 D C 0.093 176.561 176.300 0.280 0.000 1.174 441 D CA -0.608 53.521 54.000 0.215 0.000 0.829 441 D CB 0.041 40.909 40.800 0.114 0.000 0.993 441 D HN 0.400 nan 8.370 nan 0.000 0.497 442 N N 0.877 119.759 118.700 0.303 0.000 2.751 442 N HA 0.236 5.076 4.740 0.166 0.000 0.238 442 N C -3.046 172.696 175.510 0.386 0.000 1.351 442 N CA -1.345 51.848 53.050 0.237 0.000 0.751 442 N CB 1.384 39.806 38.487 -0.107 0.000 1.342 442 N HN -0.180 nan 8.380 nan 0.000 0.540 443 P HA 0.332 nan 4.420 nan 0.000 0.264 443 P C 0.061 177.432 177.300 0.118 0.000 1.193 443 P CA 0.531 63.736 63.100 0.174 0.000 0.763 443 P CB 0.629 32.366 31.700 0.063 0.000 0.810 444 G N 3.520 112.325 108.800 0.009 0.000 2.350 444 G HA2 0.218 4.278 3.960 0.166 0.000 0.305 444 G HA3 0.218 4.278 3.960 0.166 0.000 0.305 444 G C -3.471 171.044 174.900 -0.641 0.000 1.479 444 G CA -0.899 43.941 45.100 -0.432 0.000 0.949 444 G HN 0.247 nan 8.290 nan 0.000 0.651 445 P HA 0.453 nan 4.420 nan 0.000 0.287 445 P C -1.212 175.688 177.300 -0.667 0.000 1.281 445 P CA -0.052 62.774 63.100 -0.457 0.000 0.781 445 P CB 0.350 31.882 31.700 -0.280 0.000 0.903 446 W N 3.042 124.357 121.300 0.025 0.000 2.839 446 W HA 0.375 5.135 4.660 0.167 0.000 0.334 446 W C -0.253 176.281 176.519 0.025 0.000 1.064 446 W CA -0.822 56.538 57.345 0.025 0.000 1.236 446 W CB 1.143 30.690 29.460 0.145 0.000 1.405 446 W HN 0.210 nan 8.180 nan 0.000 0.478 447 F N 3.796 123.694 119.950 -0.088 0.000 2.518 447 F HA 0.352 4.979 4.527 0.167 0.000 0.359 447 F C -0.029 175.741 175.800 -0.051 0.000 1.118 447 F CA -0.872 56.993 58.000 -0.226 0.000 1.287 447 F CB 0.636 39.275 39.000 -0.603 0.000 1.132 447 F HN 0.100 nan 8.300 nan 0.000 0.587 448 L N 6.228 127.553 121.223 0.170 0.000 2.406 448 L HA 0.446 4.886 4.340 0.166 0.000 0.270 448 L C -1.344 175.446 176.870 -0.133 0.000 0.982 448 L CA -0.189 54.633 54.840 -0.029 0.000 0.843 448 L CB 1.056 43.142 42.059 0.045 0.000 1.225 448 L HN 0.777 nan 8.230 nan 0.000 0.412 449 H N 1.582 120.357 119.070 -0.492 0.000 3.003 449 H HA 0.448 5.104 4.556 0.166 0.000 0.327 449 H C -1.072 173.495 175.328 -1.268 0.000 1.353 449 H CA -0.972 54.562 56.048 -0.857 0.000 1.142 449 H CB 0.660 29.829 29.762 -0.988 0.000 1.864 449 H HN 0.676 nan 8.280 nan 0.000 0.529 450 C N 2.122 120.473 119.300 -1.581 0.000 2.648 450 C HA 0.084 4.644 4.460 0.166 0.000 0.419 450 C C 1.299 176.145 174.990 -0.241 0.000 1.352 450 C CA 0.041 58.351 59.018 -1.179 0.000 1.816 450 C CB -0.972 26.221 27.740 -0.912 0.000 2.598 450 C HN 0.986 nan 8.230 nan 0.000 0.598 451 H N 4.212 123.218 119.070 -0.106 0.000 2.526 451 H HA 0.279 4.934 4.556 0.166 0.000 0.274 451 H C 0.539 175.895 175.328 0.046 0.000 0.999 451 H CA 0.282 56.390 56.048 0.099 0.000 1.157 451 H CB 0.022 29.834 29.762 0.084 0.000 1.407 451 H HN 0.668 nan 8.280 nan 0.000 0.568 452 I N 1.646 122.267 120.570 0.085 0.000 2.483 452 I HA -0.109 4.161 4.170 0.166 0.000 0.291 452 I C 1.464 177.466 176.117 -0.191 0.000 1.112 452 I CA 0.059 61.309 61.300 -0.083 0.000 1.350 452 I CB 0.661 38.495 38.000 -0.276 0.000 1.419 452 I HN -0.000 nan 8.210 nan 0.000 0.523 453 D N 4.980 125.172 120.400 -0.346 0.000 2.178 453 D HA -0.193 4.546 4.640 0.166 0.000 0.201 453 D C 1.761 177.818 176.300 -0.406 0.000 0.980 453 D CA 1.799 55.524 54.000 -0.458 0.000 0.842 453 D CB 0.115 40.444 40.800 -0.785 0.000 0.948 453 D HN 0.474 nan 8.370 nan 0.000 0.472 454 F N -0.335 119.531 119.950 -0.141 0.000 2.293 454 F HA -0.024 4.603 4.527 0.167 0.000 0.300 454 F C 2.344 178.236 175.800 0.154 0.000 1.086 454 F CA 1.006 58.981 58.000 -0.042 0.000 1.375 454 F CB -0.794 38.158 39.000 -0.080 0.000 1.045 454 F HN 0.257 nan 8.300 nan 0.000 0.516 455 H N -1.094 118.072 119.070 0.159 0.000 2.372 455 H HA -0.070 4.586 4.556 0.166 0.000 0.301 455 H C 2.140 177.472 175.328 0.007 0.000 1.065 455 H CA 0.654 56.716 56.048 0.022 0.000 1.364 455 H CB -0.172 29.432 29.762 -0.263 0.000 1.406 455 H HN 0.138 nan 8.280 nan 0.000 0.521 456 L N 1.833 123.089 121.223 0.055 0.000 2.013 456 L HA -0.229 4.211 4.340 0.166 0.000 0.212 456 L C 2.277 179.186 176.870 0.065 0.000 1.073 456 L CA 1.983 56.785 54.840 -0.064 0.000 0.753 456 L CB -0.548 41.349 42.059 -0.269 0.000 0.890 456 L HN 0.177 nan 8.230 nan 0.000 0.432 457 E N 0.076 120.333 120.200 0.094 0.000 2.160 457 E HA -0.164 4.286 4.350 0.166 0.000 0.195 457 E C 1.669 178.398 176.600 0.216 0.000 0.991 457 E CA 1.415 57.904 56.400 0.148 0.000 0.810 457 E CB -0.364 29.417 29.700 0.135 0.000 0.742 457 E HN 0.566 nan 8.360 nan 0.000 0.466 458 A N -0.904 122.095 122.820 0.298 0.000 2.370 458 A HA 0.487 4.906 4.320 0.166 0.000 0.238 458 A C 1.429 179.240 177.584 0.379 0.000 1.289 458 A CA 0.577 52.828 52.037 0.355 0.000 0.885 458 A CB -0.671 18.641 19.000 0.519 0.000 0.961 458 A HN 0.491 nan 8.150 nan 0.000 0.499 459 G N -1.544 107.460 108.800 0.340 0.000 2.144 459 G HA2 -0.254 3.805 3.960 0.166 0.000 0.218 459 G HA3 -0.254 3.805 3.960 0.166 0.000 0.218 459 G C 0.140 175.298 174.900 0.431 0.000 0.988 459 G CA 0.002 45.328 45.100 0.377 0.000 0.659 459 G HN 0.583 nan 8.290 nan 0.000 0.522 460 F N 1.707 121.710 119.950 0.089 0.000 2.659 460 F HA 0.525 5.152 4.527 0.166 0.000 0.360 460 F C 0.724 176.438 175.800 -0.144 0.000 1.218 460 F CA 0.071 58.021 58.000 -0.084 0.000 1.317 460 F CB -0.209 38.465 39.000 -0.544 0.000 1.697 460 F HN 0.473 nan 8.300 nan 0.000 0.637 461 A N 2.428 125.319 122.820 0.119 0.000 2.605 461 A HA 0.674 5.093 4.320 0.166 0.000 0.294 461 A C -1.380 176.294 177.584 0.150 0.000 1.062 461 A CA -0.576 51.393 52.037 -0.114 0.000 0.682 461 A CB 1.493 20.110 19.000 -0.638 0.000 1.278 461 A HN 0.363 nan 8.150 nan 0.000 0.410 462 V N -1.548 118.462 119.914 0.161 0.000 3.141 462 V HA 0.950 5.170 4.120 0.166 0.000 0.312 462 V C -0.834 175.471 176.094 0.352 0.000 1.157 462 V CA -0.896 61.612 62.300 0.347 0.000 1.041 462 V CB 1.602 33.661 31.823 0.393 0.000 1.071 462 V HN 1.018 nan 8.190 nan 0.000 0.441 463 V N 2.809 122.955 119.914 0.387 0.000 2.448 463 V HA 0.509 4.729 4.120 0.166 0.000 0.295 463 V C -0.140 176.139 176.094 0.309 0.000 1.025 463 V CA -0.521 61.951 62.300 0.287 0.000 0.859 463 V CB 1.741 33.666 31.823 0.171 0.000 0.988 463 V HN 0.861 nan 8.190 nan 0.000 0.431 464 M N 4.167 123.935 119.600 0.280 0.000 2.077 464 M HA 0.423 5.002 4.480 0.166 0.000 0.348 464 M C 0.294 176.747 176.300 0.254 0.000 1.252 464 M CA -0.238 55.244 55.300 0.304 0.000 1.096 464 M CB 0.864 33.665 32.600 0.335 0.000 1.568 464 M HN 0.713 nan 8.290 nan 0.000 0.456 465 A N 3.936 126.879 122.820 0.206 0.000 2.650 465 A HA 0.295 4.714 4.320 0.166 0.000 0.320 465 A C 0.234 177.910 177.584 0.153 0.000 1.466 465 A CA -0.484 51.625 52.037 0.120 0.000 1.099 465 A CB -0.271 18.781 19.000 0.086 0.000 1.136 465 A HN 0.794 nan 8.150 nan 0.000 0.532 466 E N 2.722 123.040 120.200 0.198 0.000 2.194 466 E HA 0.237 4.687 4.350 0.166 0.000 0.284 466 E C -0.572 176.133 176.600 0.175 0.000 1.035 466 E CA -0.322 56.234 56.400 0.260 0.000 0.836 466 E CB 0.368 30.352 29.700 0.473 0.000 1.070 466 E HN 0.609 nan 8.360 nan 0.000 0.401 467 D N 4.406 124.891 120.400 0.142 0.000 2.737 467 D HA -0.224 4.515 4.640 0.166 0.000 0.238 467 D C 0.586 176.927 176.300 0.068 0.000 1.157 467 D CA 0.692 54.754 54.000 0.103 0.000 0.694 467 D CB -1.135 39.735 40.800 0.117 0.000 1.021 467 D HN 0.675 nan 8.370 nan 0.000 0.420 468 I N -0.021 120.583 120.570 0.056 0.000 2.143 468 I HA -0.259 4.010 4.170 0.166 0.000 0.245 468 I C -0.490 175.641 176.117 0.024 0.000 1.068 468 I CA 1.522 62.841 61.300 0.032 0.000 1.326 468 I CB -1.038 36.981 38.000 0.031 0.000 1.028 468 I HN 0.296 nan 8.210 nan 0.000 0.412 469 P HA -0.136 nan 4.420 nan 0.000 0.221 469 P C 0.663 177.977 177.300 0.023 0.000 1.145 469 P CA 1.408 64.523 63.100 0.025 0.000 0.795 469 P CB -0.025 31.692 31.700 0.028 0.000 0.775 470 D N -2.140 118.277 120.400 0.028 0.000 2.369 470 D HA 0.044 4.784 4.640 0.166 0.000 0.211 470 D C 1.802 178.108 176.300 0.010 0.000 1.077 470 D CA 0.093 54.109 54.000 0.026 0.000 0.842 470 D CB -0.020 40.806 40.800 0.043 0.000 0.947 470 D HN -0.036 nan 8.370 nan 0.000 0.509 471 V N 1.685 121.597 119.914 -0.003 0.000 2.255 471 V HA -0.286 3.934 4.120 0.166 0.000 0.247 471 V C 2.631 178.699 176.094 -0.043 0.000 1.051 471 V CA 2.189 64.468 62.300 -0.036 0.000 1.018 471 V CB -0.680 31.109 31.823 -0.056 0.000 0.641 471 V HN 0.224 nan 8.190 nan 0.000 0.445 472 A N -0.185 122.617 122.820 -0.030 0.000 1.877 472 A HA -0.102 4.318 4.320 0.166 0.000 0.216 472 A C 2.399 179.970 177.584 -0.021 0.000 1.186 472 A CA 2.163 54.181 52.037 -0.032 0.000 0.620 472 A CB -0.835 18.154 19.000 -0.017 0.000 0.822 472 A HN 0.591 nan 8.150 nan 0.000 0.443 473 A N -1.267 121.550 122.820 -0.005 0.000 1.930 473 A HA -0.032 4.387 4.320 0.166 0.000 0.217 473 A C 2.233 179.825 177.584 0.014 0.000 1.175 473 A CA 2.134 54.175 52.037 0.007 0.000 0.627 473 A CB -1.006 18.003 19.000 0.016 0.000 0.815 473 A HN 0.424 nan 8.150 nan 0.000 0.443 474 T N 0.453 115.011 114.554 0.007 0.000 2.985 474 T HA 0.008 4.457 4.350 0.166 0.000 0.266 474 T C 0.630 175.334 174.700 0.007 0.000 1.076 474 T CA 0.787 62.891 62.100 0.007 0.000 1.135 474 T CB -0.156 68.698 68.868 -0.023 0.000 0.890 474 T HN 0.446 nan 8.240 nan 0.000 0.480 475 N N 2.291 120.989 118.700 -0.003 0.000 2.886 475 N HA 0.207 5.047 4.740 0.166 0.000 0.285 475 N C -3.009 172.514 175.510 0.022 0.000 1.706 475 N CA -0.964 52.106 53.050 0.033 0.000 0.904 475 N CB 1.306 39.779 38.487 -0.023 0.000 1.224 475 N HN 0.303 nan 8.380 nan 0.000 0.488 476 P HA -0.006 nan 4.420 nan 0.000 0.267 476 P C 0.361 177.555 177.300 -0.177 0.000 1.205 476 P CA -0.080 62.989 63.100 -0.051 0.000 0.765 476 P CB 0.888 32.580 31.700 -0.014 0.000 0.828 477 V N 2.115 121.828 119.914 -0.336 0.000 2.607 477 V HA 0.443 4.662 4.120 0.166 0.000 0.289 477 V C -1.947 173.855 176.094 -0.486 0.000 1.053 477 V CA -2.407 59.484 62.300 -0.682 0.000 0.996 477 V CB 0.322 31.735 31.823 -0.683 0.000 0.995 477 V HN 0.446 nan 8.190 nan 0.000 0.476 478 P HA 0.013 nan 4.420 nan 0.000 0.266 478 P C 0.555 177.789 177.300 -0.109 0.000 1.195 478 P CA 0.173 63.061 63.100 -0.354 0.000 0.768 478 P CB 0.954 32.363 31.700 -0.485 0.000 0.838 479 Q N 2.898 122.669 119.800 -0.048 0.000 2.096 479 Q HA -0.259 4.180 4.340 0.166 0.000 0.208 479 Q C 2.056 178.088 176.000 0.054 0.000 0.993 479 Q CA 2.684 58.494 55.803 0.011 0.000 0.862 479 Q CB -0.710 28.030 28.738 0.003 0.000 0.915 479 Q HN 0.604 nan 8.270 nan 0.000 0.416 480 A N -0.184 122.686 122.820 0.083 0.000 1.908 480 A HA -0.228 4.192 4.320 0.166 0.000 0.218 480 A C 1.731 179.453 177.584 0.230 0.000 1.181 480 A CA 1.498 53.648 52.037 0.187 0.000 0.627 480 A CB -1.339 17.819 19.000 0.264 0.000 0.818 480 A HN 0.808 nan 8.150 nan 0.000 0.445 481 W N 1.142 122.488 121.300 0.077 0.000 2.358 481 W HA -0.154 4.607 4.660 0.168 0.000 0.303 481 W C 2.263 178.688 176.519 -0.157 0.000 1.208 481 W CA 1.973 59.259 57.345 -0.098 0.000 1.274 481 W CB -0.220 29.162 29.460 -0.131 0.000 1.138 481 W HN 0.278 nan 8.180 nan 0.000 0.515 482 S N 0.292 116.064 115.700 0.120 0.000 2.469 482 S HA -0.164 4.406 4.470 0.166 0.000 0.238 482 S C 0.826 175.316 174.600 -0.184 0.000 0.998 482 S CA 1.511 59.689 58.200 -0.037 0.000 0.957 482 S CB -0.358 62.905 63.200 0.104 0.000 0.764 482 S HN 0.279 nan 8.310 nan 0.000 0.514 483 D N 0.916 121.219 120.400 -0.161 0.000 2.350 483 D HA 0.187 4.926 4.640 0.166 0.000 0.213 483 D C 1.614 177.772 176.300 -0.237 0.000 1.031 483 D CA 0.105 54.016 54.000 -0.148 0.000 0.861 483 D CB -0.113 40.649 40.800 -0.063 0.000 0.926 483 D HN 0.307 nan 8.370 nan 0.000 0.520 484 L N -0.065 120.922 121.223 -0.394 0.000 2.017 484 L HA -0.188 4.252 4.340 0.166 0.000 0.208 484 L C 2.307 178.979 176.870 -0.331 0.000 1.073 484 L CA 0.982 55.550 54.840 -0.454 0.000 0.745 484 L CB -0.432 41.190 42.059 -0.729 0.000 0.894 484 L HN 0.147 nan 8.230 nan 0.000 0.432 485 c N -0.125 118.257 118.600 -0.364 0.000 2.462 485 c HA -0.059 4.611 4.570 0.166 0.000 0.278 485 c C 0.347 174.388 174.090 -0.082 0.000 1.253 485 c CA 0.677 56.887 56.329 -0.199 0.000 1.713 485 c CB -1.725 40.651 42.510 -0.223 0.000 2.049 485 c HN 0.405 nan 8.230 nan 0.000 0.477 486 P HA -0.096 nan 4.420 nan 0.000 0.216 486 P C 1.296 178.557 177.300 -0.064 0.000 1.150 486 P CA 1.934 64.994 63.100 -0.066 0.000 0.837 486 P CB -0.413 31.247 31.700 -0.067 0.000 0.786 487 T N -0.982 113.511 114.554 -0.101 0.000 2.701 487 T HA -0.190 4.260 4.350 0.166 0.000 0.263 487 T C 1.753 176.400 174.700 -0.088 0.000 1.040 487 T CA 1.271 63.289 62.100 -0.136 0.000 1.147 487 T CB -1.188 67.506 68.868 -0.290 0.000 0.865 487 T HN 0.050 nan 8.240 nan 0.000 0.426 488 Y N 2.200 122.401 120.300 -0.165 0.000 2.181 488 Y HA -0.157 4.486 4.550 0.156 0.000 0.288 488 Y C 1.977 177.857 175.900 -0.034 0.000 1.146 488 Y CA 1.414 59.459 58.100 -0.092 0.000 1.164 488 Y CB -0.333 38.071 38.460 -0.094 0.000 0.982 488 Y HN 0.136 nan 8.280 nan 0.000 0.515 489 D N -0.145 120.268 120.400 0.022 0.000 2.264 489 D HA -0.081 4.658 4.640 0.166 0.000 0.208 489 D C 2.045 178.287 176.300 -0.097 0.000 0.966 489 D CA 1.130 55.115 54.000 -0.025 0.000 0.864 489 D CB -0.332 40.490 40.800 0.036 0.000 0.933 489 D HN 0.479 nan 8.370 nan 0.000 0.499 490 A N 0.252 123.015 122.820 -0.096 0.000 2.167 490 A HA 0.051 4.471 4.320 0.166 0.000 0.214 490 A C 1.171 178.690 177.584 -0.109 0.000 1.151 490 A CA 0.023 52.010 52.037 -0.082 0.000 0.735 490 A CB -0.299 18.669 19.000 -0.052 0.000 0.802 490 A HN 0.158 nan 8.150 nan 0.000 0.467 491 L N 1.695 122.808 121.223 -0.184 0.000 2.456 491 L HA 0.136 4.575 4.340 0.166 0.000 0.272 491 L C 1.037 177.806 176.870 -0.168 0.000 1.189 491 L CA -0.364 54.363 54.840 -0.188 0.000 0.846 491 L CB 0.755 42.637 42.059 -0.295 0.000 1.111 491 L HN 0.414 nan 8.230 nan 0.000 0.475 492 S N 2.232 117.860 115.700 -0.121 0.000 2.585 492 S HA 0.206 4.776 4.470 0.166 0.000 0.273 492 S C -1.711 172.807 174.600 -0.138 0.000 1.339 492 S CA -1.147 56.986 58.200 -0.111 0.000 1.028 492 S CB 1.059 64.206 63.200 -0.087 0.000 0.906 492 S HN 0.435 nan 8.310 nan 0.000 0.528 493 P HA -0.203 nan 4.420 nan 0.000 0.222 493 P C 0.621 177.770 177.300 -0.252 0.000 1.157 493 P CA 1.749 64.784 63.100 -0.109 0.000 0.905 493 P CB 0.014 31.674 31.700 -0.066 0.000 0.792 494 D N -2.470 117.732 120.400 -0.329 0.000 2.367 494 D HA -0.025 4.714 4.640 0.166 0.000 0.207 494 D C 0.888 176.855 176.300 -0.555 0.000 1.034 494 D CA 0.608 54.259 54.000 -0.581 0.000 0.861 494 D CB -0.233 40.401 40.800 -0.276 0.000 0.943 494 D HN 0.142 nan 8.370 nan 0.000 0.515 495 D N 0.409 120.655 120.400 -0.257 0.000 2.349 495 D HA 0.049 4.789 4.640 0.166 0.000 0.214 495 D C 0.763 177.077 176.300 0.022 0.000 1.063 495 D CA 0.118 54.067 54.000 -0.085 0.000 0.847 495 D CB 0.640 41.408 40.800 -0.054 0.000 0.933 495 D HN 0.304 nan 8.370 nan 0.000 0.513 496 Q N 0.000 119.828 119.800 0.047 0.000 2.315 496 Q HA 0.000 4.440 4.340 0.166 0.000 0.214 496 Q CA 0.000 55.932 55.803 0.215 0.000 1.022 496 Q CB 0.000 28.871 28.738 0.222 0.000 1.108 496 Q HN 0.000 nan 8.270 nan 0.000 0.481