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 3gbp_1_A DATA FIRST_RESID 3 DATA SEQUENCE TRIGVTIYKY DDNFMSVVRK AIEKDGKSAP DVQLLMNDSQ NDQSKQNDQI DATA SEQUENCE DVLLAKGVKA LAINLVDPAA AGTVIEKARG QNVPVVFFNK EPSRKALDSY DATA SEQUENCE DKAYYVGTDS KESGVIQGDL IAKHWQANQG WDLNKDGKIQ YVLLKGEPGH DATA SEQUENCE PDAEARTTYV VKELNDKGIQ TEQLALDTAM WDTAQAKDKM DAWLSGPNAN DATA SEQUENCE KIEVVIANND AMAMGAVEAL KAHNKSSIPV FGVDALPEAL ALVKSGAMAG DATA SEQUENCE TVLNDANNQA KATFDLAKNL AEGKGAADGT SWKIENKIVR VPYVGVDKDN DATA SEQUENCE LSEFT 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.695 174.700 -0.008 0.000 1.109 3 T CA 0.000 62.092 62.100 -0.014 0.000 1.349 3 T CB 0.000 68.848 68.868 -0.034 0.000 0.612 4 R N 6.837 127.333 120.500 -0.008 0.000 2.255 4 R HA 0.799 nan 4.340 nan 0.000 0.326 4 R C -1.246 175.049 176.300 -0.009 0.000 0.986 4 R CA -0.841 55.260 56.100 0.001 0.000 0.847 4 R CB 1.574 31.878 30.300 0.006 0.000 1.111 4 R HN 0.543 8.807 8.270 -0.011 0.000 0.452 5 I N 5.139 125.706 120.570 -0.005 0.000 2.362 5 I HA 0.478 nan 4.170 nan 0.000 0.289 5 I C -1.261 174.866 176.117 0.016 0.000 0.994 5 I CA -1.366 59.925 61.300 -0.015 0.000 1.158 5 I CB 2.516 40.489 38.000 -0.046 0.000 1.315 5 I HN 0.821 9.038 8.210 0.012 0.000 0.451 6 G N 6.054 114.866 108.800 0.021 0.000 2.356 6 G HA2 0.568 nan 3.960 nan 0.000 0.322 6 G HA3 0.568 nan 3.960 nan 0.000 0.322 6 G C -2.460 172.479 174.900 0.065 0.000 1.125 6 G CA -1.548 43.578 45.100 0.043 0.000 0.885 6 G HN -0.094 8.201 8.290 0.008 0.000 0.467 7 V N 3.309 123.283 119.914 0.100 0.000 2.588 7 V HA 0.711 nan 4.120 nan 0.000 0.304 7 V C -1.195 175.011 176.094 0.186 0.000 1.042 7 V CA -1.501 60.895 62.300 0.159 0.000 0.877 7 V CB 2.873 34.793 31.823 0.161 0.000 0.996 7 V HN 0.549 8.798 8.190 0.097 0.000 0.425 8 T N 2.938 117.619 114.554 0.211 0.000 2.829 8 T HA 0.781 nan 4.350 nan 0.000 0.280 8 T C -0.949 173.882 174.700 0.219 0.000 0.999 8 T CA -2.331 59.882 62.100 0.189 0.000 0.983 8 T CB 1.601 70.550 68.868 0.135 0.000 0.968 8 T HN 0.135 8.516 8.240 0.235 0.000 0.446 9 I N 5.207 125.932 120.570 0.258 0.000 2.404 9 I HA 0.524 nan 4.170 nan 0.000 0.293 9 I C 0.384 176.645 176.117 0.240 0.000 0.992 9 I CA -3.179 58.275 61.300 0.258 0.000 1.149 9 I CB 1.616 39.815 38.000 0.332 0.000 1.315 9 I HN 0.490 8.867 8.210 0.278 0.000 0.446 10 Y N 6.355 126.693 120.300 0.064 0.000 2.352 10 Y HA -0.300 nan 4.550 nan 0.000 0.292 10 Y C -1.532 174.426 175.900 0.096 0.000 1.136 10 Y CA 1.936 60.076 58.100 0.067 0.000 1.227 10 Y CB 0.641 39.130 38.460 0.049 0.000 0.991 10 Y HN 0.219 9.056 8.280 0.419 -0.306 0.545 11 K N -3.501 116.600 120.400 -0.498 0.000 2.616 11 K HA 0.100 nan 4.320 nan 0.000 0.255 11 K C -0.154 176.390 176.600 -0.094 0.000 0.995 11 K CA -1.128 54.880 56.287 -0.466 0.000 0.860 11 K CB 1.914 33.827 32.500 -0.978 0.000 1.264 11 K HN -0.766 7.308 8.250 -0.268 0.015 0.451 12 Y N 4.965 125.172 120.300 -0.155 0.000 2.421 12 Y HA -0.345 nan 4.550 nan 0.000 0.292 12 Y C -0.242 175.614 175.900 -0.074 0.000 1.136 12 Y CA 1.804 59.852 58.100 -0.086 0.000 1.255 12 Y CB 0.143 38.573 38.460 -0.050 0.000 0.991 12 Y HN 0.094 8.825 8.280 0.149 -0.362 0.552 13 D N -6.469 113.968 120.400 0.062 0.000 2.358 13 D HA -0.098 nan 4.640 nan 0.000 0.224 13 D C -0.508 175.794 176.300 0.004 0.000 1.123 13 D CA -1.455 52.560 54.000 0.024 0.000 0.833 13 D CB -0.774 40.043 40.800 0.029 0.000 0.946 13 D HN -0.462 7.910 8.370 0.043 0.023 0.505 14 D N 0.809 121.193 120.400 -0.027 0.000 2.417 14 D HA -0.134 nan 4.640 nan 0.000 0.250 14 D C 0.184 176.509 176.300 0.042 0.000 1.166 14 D CA 0.735 54.752 54.000 0.027 0.000 0.881 14 D CB 1.394 42.225 40.800 0.052 0.000 1.164 14 D HN -0.737 7.525 8.370 -0.066 0.068 0.467 15 N N 6.307 125.049 118.700 0.070 0.000 2.166 15 N HA -0.277 nan 4.740 nan 0.000 0.186 15 N C 1.828 177.378 175.510 0.068 0.000 1.019 15 N CA 3.146 56.232 53.050 0.060 0.000 0.856 15 N CB -0.124 38.412 38.487 0.082 0.000 0.993 15 N HN 0.457 8.891 8.380 0.090 0.000 0.426 16 F N 1.663 121.604 119.950 -0.014 0.000 2.206 16 F HA -0.102 nan 4.527 nan 0.000 0.298 16 F C 0.780 176.576 175.800 -0.007 0.000 1.090 16 F CA 2.732 60.721 58.000 -0.020 0.000 1.323 16 F CB 0.432 39.400 39.000 -0.054 0.000 1.028 16 F HN -0.785 7.724 8.300 0.225 -0.074 0.492 17 M N -1.308 118.243 119.600 -0.083 0.000 2.374 17 M HA -0.297 nan 4.480 nan 0.000 0.264 17 M C 2.373 178.558 176.300 -0.193 0.000 1.067 17 M CA 0.179 55.404 55.300 -0.124 0.000 1.103 17 M CB -1.689 30.962 32.600 0.086 0.000 1.402 17 M HN -0.040 8.602 8.290 0.082 -0.303 0.444 18 S N 0.128 115.724 115.700 -0.174 0.000 2.387 18 S HA -0.165 nan 4.470 nan 0.000 0.226 18 S C 1.968 176.442 174.600 -0.209 0.000 1.026 18 S CA 3.721 61.802 58.200 -0.198 0.000 0.972 18 S CB -0.169 62.961 63.200 -0.117 0.000 0.814 18 S HN 0.025 8.253 8.310 -0.109 0.017 0.477 19 V N 1.280 121.056 119.914 -0.230 0.000 2.591 19 V HA -0.151 nan 4.120 nan 0.000 0.249 19 V C 1.098 177.030 176.094 -0.269 0.000 1.053 19 V CA 2.857 65.026 62.300 -0.218 0.000 1.068 19 V CB -0.529 31.191 31.823 -0.172 0.000 0.689 19 V HN -0.690 7.354 8.190 -0.243 0.000 0.462 20 V N 1.912 121.591 119.914 -0.392 0.000 2.295 20 V HA -0.506 nan 4.120 nan 0.000 0.246 20 V C 1.474 177.464 176.094 -0.174 0.000 1.049 20 V CA 4.495 66.623 62.300 -0.288 0.000 1.024 20 V CB -1.203 30.452 31.823 -0.280 0.000 0.648 20 V HN -0.344 7.514 8.190 -0.553 0.000 0.447 21 R N -0.999 119.398 120.500 -0.173 0.000 2.094 21 R HA -0.469 nan 4.340 nan 0.000 0.239 21 R C 1.871 178.071 176.300 -0.166 0.000 1.137 21 R CA 3.982 59.980 56.100 -0.171 0.000 0.943 21 R CB -0.295 29.799 30.300 -0.344 0.000 0.850 21 R HN 0.283 8.321 8.270 -0.207 0.108 0.433 22 K N -1.581 118.712 120.400 -0.178 0.000 2.097 22 K HA -0.307 nan 4.320 nan 0.000 0.206 22 K C 2.374 178.899 176.600 -0.126 0.000 1.049 22 K CA 2.977 59.181 56.287 -0.138 0.000 0.933 22 K CB -0.257 32.167 32.500 -0.126 0.000 0.717 22 K HN -0.632 7.498 8.250 -0.200 0.000 0.442 23 A N -0.146 122.594 122.820 -0.134 0.000 1.930 23 A HA -0.184 nan 4.320 nan 0.000 0.217 23 A C 1.998 179.485 177.584 -0.160 0.000 1.175 23 A CA 2.941 54.899 52.037 -0.131 0.000 0.627 23 A CB -0.837 18.091 19.000 -0.120 0.000 0.815 23 A HN -0.375 7.687 8.150 -0.146 0.000 0.443 24 I N -1.132 119.346 120.570 -0.154 0.000 2.127 24 I HA -0.684 nan 4.170 nan 0.000 0.241 24 I C 1.902 177.919 176.117 -0.167 0.000 1.075 24 I CA 4.677 65.885 61.300 -0.153 0.000 1.334 24 I CB -0.181 37.757 38.000 -0.105 0.000 1.040 24 I HN 0.285 8.409 8.210 -0.144 0.000 0.405 25 E N -1.277 118.851 120.200 -0.120 0.000 2.085 25 E HA -0.469 nan 4.350 nan 0.000 0.194 25 E C 2.300 178.813 176.600 -0.144 0.000 0.994 25 E CA 3.442 59.781 56.400 -0.102 0.000 0.801 25 E CB -0.414 29.243 29.700 -0.071 0.000 0.743 25 E HN 0.026 8.320 8.360 -0.109 0.000 0.453 26 K N -0.556 119.752 120.400 -0.154 0.000 2.057 26 K HA -0.333 nan 4.320 nan 0.000 0.207 26 K C 1.976 178.435 176.600 -0.235 0.000 1.049 26 K CA 3.026 59.221 56.287 -0.154 0.000 0.931 26 K CB -0.462 31.963 32.500 -0.123 0.000 0.714 26 K HN -0.442 7.722 8.250 -0.145 0.000 0.440 27 D N -0.396 119.787 120.400 -0.362 0.000 2.104 27 D HA -0.291 nan 4.640 nan 0.000 0.194 27 D C 2.634 178.448 176.300 -0.811 0.000 0.994 27 D CA 3.189 56.805 54.000 -0.639 0.000 0.830 27 D CB -0.522 39.709 40.800 -0.948 0.000 0.959 27 D HN -0.262 7.916 8.370 -0.320 0.000 0.452 28 G N -1.010 107.387 108.800 -0.672 0.000 2.440 28 G HA2 -0.321 nan 3.960 nan 0.000 0.218 28 G HA3 -0.321 nan 3.960 nan 0.000 0.218 28 G C 1.859 176.697 174.900 -0.103 0.000 1.154 28 G CA 1.718 46.671 45.100 -0.245 0.000 0.767 28 G HN -0.006 7.950 8.290 -0.556 0.000 0.552 29 K N 1.756 122.086 120.400 -0.118 0.000 2.211 29 K HA -0.225 nan 4.320 nan 0.000 0.203 29 K C 1.925 178.486 176.600 -0.065 0.000 1.050 29 K CA 2.376 58.624 56.287 -0.066 0.000 0.945 29 K CB 0.243 32.706 32.500 -0.062 0.000 0.732 29 K HN -0.131 8.025 8.250 -0.156 0.000 0.451 30 S N -2.526 113.112 115.700 -0.104 0.000 2.522 30 S HA -0.099 nan 4.470 nan 0.000 0.227 30 S C -0.136 174.442 174.600 -0.036 0.000 0.986 30 S CA 0.917 59.074 58.200 -0.073 0.000 0.929 30 S CB 0.266 63.409 63.200 -0.095 0.000 0.769 30 S HN -0.315 7.806 8.310 -0.164 0.090 0.529 31 A N 2.801 125.612 122.820 -0.014 0.000 2.412 31 A HA 0.462 nan 4.320 nan 0.000 0.334 31 A C -1.665 175.955 177.584 0.059 0.000 1.419 31 A CA -3.307 48.767 52.037 0.062 0.000 0.930 31 A CB 0.224 19.344 19.000 0.199 0.000 1.149 31 A HN -0.616 7.337 8.150 -0.044 0.170 0.515 32 P HA -0.120 nan 4.420 nan 0.000 0.222 32 P C -1.295 176.024 177.300 0.031 0.000 1.147 32 P CA 1.929 65.044 63.100 0.026 0.000 0.790 32 P CB -0.289 31.420 31.700 0.015 0.000 0.780 33 D N -3.521 116.902 120.400 0.039 0.000 2.325 33 D HA -0.034 nan 4.640 nan 0.000 0.225 33 D C -0.698 175.625 176.300 0.037 0.000 1.096 33 D CA -0.479 53.539 54.000 0.031 0.000 0.844 33 D CB -0.450 40.363 40.800 0.022 0.000 0.925 33 D HN 0.206 8.559 8.370 0.048 0.046 0.513 34 V N 0.075 120.026 119.914 0.063 0.000 2.680 34 V HA 0.195 nan 4.120 nan 0.000 0.309 34 V C -1.669 174.464 176.094 0.066 0.000 1.052 34 V CA -1.168 61.177 62.300 0.074 0.000 0.908 34 V CB 2.000 33.923 31.823 0.167 0.000 1.001 34 V HN -0.623 7.537 8.190 0.068 0.070 0.431 35 Q N 5.812 125.643 119.800 0.050 0.000 2.327 35 Q HA 0.397 nan 4.340 nan 0.000 0.270 35 Q C -1.767 174.264 176.000 0.053 0.000 1.022 35 Q CA -1.602 54.228 55.803 0.045 0.000 0.773 35 Q CB 3.329 32.085 28.738 0.029 0.000 1.251 35 Q HN 0.745 9.037 8.270 0.038 0.000 0.457 36 L N 5.432 126.696 121.223 0.068 0.000 2.312 36 L HA 0.470 nan 4.340 nan 0.000 0.281 36 L C -0.515 176.391 176.870 0.059 0.000 1.070 36 L CA -0.943 53.941 54.840 0.074 0.000 0.805 36 L CB 0.937 43.051 42.059 0.092 0.000 1.174 36 L HN 0.461 8.730 8.230 0.065 0.000 0.434 37 L N 4.394 125.651 121.223 0.057 0.000 2.318 37 L HA 0.335 nan 4.340 nan 0.000 0.277 37 L C -1.091 175.824 176.870 0.076 0.000 1.008 37 L CA -1.397 53.476 54.840 0.056 0.000 0.846 37 L CB 0.581 42.664 42.059 0.041 0.000 1.220 37 L HN 0.835 9.000 8.230 0.056 0.099 0.423 38 M N 2.807 122.465 119.600 0.097 0.000 2.217 38 M HA 0.132 nan 4.480 nan 0.000 0.354 38 M C -0.676 175.707 176.300 0.140 0.000 1.225 38 M CA -1.237 54.155 55.300 0.153 0.000 1.137 38 M CB -0.426 32.300 32.600 0.211 0.000 1.576 38 M HN 0.386 8.728 8.290 0.086 0.000 0.461 39 N N 3.267 122.057 118.700 0.151 0.000 2.235 39 N HA 0.183 nan 4.740 nan 0.000 0.293 39 N C -2.582 172.906 175.510 -0.037 0.000 1.083 39 N CA -0.274 52.789 53.050 0.022 0.000 0.801 39 N CB 4.235 42.739 38.487 0.028 0.000 1.559 39 N HN 0.198 8.706 8.380 0.214 0.000 0.472 40 D N 1.604 121.801 120.400 -0.337 0.000 2.317 40 D HA 0.278 nan 4.640 nan 0.000 0.234 40 D C 0.554 176.761 176.300 -0.156 0.000 1.112 40 D CA -1.606 52.139 54.000 -0.425 0.000 0.840 40 D CB 0.285 40.551 40.800 -0.890 0.000 1.078 40 D HN 0.337 8.514 8.370 -0.322 0.000 0.486 41 S N 4.882 120.563 115.700 -0.031 0.000 2.522 41 S HA -0.035 nan 4.470 nan 0.000 0.227 41 S C 0.449 175.039 174.600 -0.017 0.000 0.986 41 S CA 1.443 59.644 58.200 0.002 0.000 0.929 41 S CB 0.983 64.226 63.200 0.072 0.000 0.769 41 S HN 0.542 8.873 8.310 0.035 0.000 0.529 42 Q N -2.531 117.233 119.800 -0.059 0.000 2.478 42 Q HA -0.408 nan 4.340 nan 0.000 0.286 42 Q C -0.734 175.249 176.000 -0.028 0.000 1.299 42 Q CA 0.613 56.379 55.803 -0.062 0.000 0.826 42 Q CB -2.335 26.372 28.738 -0.052 0.000 1.199 42 Q HN -0.435 7.963 8.270 -0.079 -0.175 0.451 43 N N -3.806 114.880 118.700 -0.023 0.000 2.708 43 N HA -0.402 nan 4.740 nan 0.000 0.249 43 N C -1.790 173.781 175.510 0.102 0.000 1.097 43 N CA 1.600 54.695 53.050 0.075 0.000 0.710 43 N CB -0.224 38.294 38.487 0.052 0.000 1.032 43 N HN 0.373 8.693 8.380 -0.063 0.023 0.551 44 D N -2.096 118.351 120.400 0.079 0.000 2.481 44 D HA 0.207 nan 4.640 nan 0.000 0.246 44 D C -0.490 175.853 176.300 0.072 0.000 1.109 44 D CA -1.034 53.005 54.000 0.065 0.000 0.845 44 D CB 2.309 43.131 40.800 0.037 0.000 1.160 44 D HN -0.791 7.583 8.370 0.064 0.035 0.534 45 Q N 6.026 125.870 119.800 0.073 0.000 2.119 45 Q HA -0.208 nan 4.340 nan 0.000 0.201 45 Q C 1.490 177.521 176.000 0.050 0.000 0.972 45 Q CA 2.726 58.570 55.803 0.068 0.000 0.847 45 Q CB 0.093 28.866 28.738 0.058 0.000 0.903 45 Q HN 0.661 8.973 8.270 0.071 0.000 0.433 46 S N -0.524 115.200 115.700 0.039 0.000 2.402 46 S HA -0.320 nan 4.470 nan 0.000 0.229 46 S C 1.887 176.503 174.600 0.027 0.000 1.021 46 S CA 2.851 61.068 58.200 0.029 0.000 0.974 46 S CB -0.413 62.800 63.200 0.022 0.000 0.800 46 S HN -0.324 8.128 8.310 0.037 -0.120 0.484 47 K N 2.272 122.688 120.400 0.027 0.000 2.032 47 K HA -0.325 nan 4.320 nan 0.000 0.209 47 K C 1.945 178.561 176.600 0.026 0.000 1.048 47 K CA 2.814 59.113 56.287 0.019 0.000 0.927 47 K CB -0.354 32.155 32.500 0.014 0.000 0.712 47 K HN -0.788 7.669 8.250 0.031 -0.189 0.441 48 Q N -1.135 118.691 119.800 0.043 0.000 2.084 48 Q HA -0.355 nan 4.340 nan 0.000 0.202 48 Q C 2.369 178.399 176.000 0.050 0.000 0.978 48 Q CA 3.428 59.264 55.803 0.056 0.000 0.844 48 Q CB -0.118 28.669 28.738 0.081 0.000 0.898 48 Q HN -0.261 7.972 8.270 0.050 0.067 0.426 49 N N -0.491 118.237 118.700 0.046 0.000 2.149 49 N HA -0.343 nan 4.740 nan 0.000 0.188 49 N C 2.386 177.913 175.510 0.029 0.000 1.019 49 N CA 3.224 56.298 53.050 0.040 0.000 0.857 49 N CB -0.567 37.940 38.487 0.034 0.000 0.997 49 N HN 0.181 8.413 8.380 0.046 0.175 0.426 50 D N -0.188 120.227 120.400 0.023 0.000 2.183 50 D HA -0.112 nan 4.640 nan 0.000 0.203 50 D C 2.272 178.582 176.300 0.017 0.000 0.969 50 D CA 3.122 57.132 54.000 0.017 0.000 0.842 50 D CB -0.388 40.419 40.800 0.012 0.000 0.957 50 D HN -0.157 8.222 8.370 0.024 0.006 0.484 51 Q N 0.218 120.031 119.800 0.021 0.000 2.167 51 Q HA -0.250 nan 4.340 nan 0.000 0.202 51 Q C 2.705 178.722 176.000 0.027 0.000 0.970 51 Q CA 3.099 58.915 55.803 0.021 0.000 0.855 51 Q CB 0.094 28.847 28.738 0.025 0.000 0.911 51 Q HN -0.502 7.693 8.270 0.024 0.090 0.438 52 I N 0.374 120.963 120.570 0.033 0.000 2.394 52 I HA -0.526 nan 4.170 nan 0.000 0.251 52 I C 1.588 177.717 176.117 0.020 0.000 1.136 52 I CA 4.029 65.347 61.300 0.031 0.000 1.425 52 I CB -0.352 37.671 38.000 0.038 0.000 1.079 52 I HN -0.064 8.168 8.210 0.037 0.000 0.425 53 D N 0.628 121.038 120.400 0.017 0.000 2.117 53 D HA -0.237 nan 4.640 nan 0.000 0.197 53 D C 2.681 178.987 176.300 0.010 0.000 0.987 53 D CA 3.875 57.882 54.000 0.011 0.000 0.829 53 D CB -0.377 40.429 40.800 0.009 0.000 0.961 53 D HN -0.537 7.845 8.370 0.019 0.000 0.460 54 V N 0.472 120.393 119.914 0.012 0.000 2.427 54 V HA -0.305 nan 4.120 nan 0.000 0.248 54 V C 2.080 178.181 176.094 0.012 0.000 1.051 54 V CA 3.992 66.298 62.300 0.010 0.000 1.048 54 V CB -0.625 31.203 31.823 0.009 0.000 0.666 54 V HN -0.387 7.811 8.190 0.013 0.000 0.456 55 L N -1.653 119.580 121.223 0.016 0.000 2.056 55 L HA -0.411 nan 4.340 nan 0.000 0.207 55 L C 1.967 178.845 176.870 0.013 0.000 1.078 55 L CA 3.354 58.204 54.840 0.018 0.000 0.749 55 L CB -0.408 41.666 42.059 0.024 0.000 0.901 55 L HN -0.280 7.961 8.230 0.018 0.000 0.433 56 L N -2.201 119.029 121.223 0.012 0.000 2.046 56 L HA -0.401 nan 4.340 nan 0.000 0.208 56 L C 2.437 179.312 176.870 0.008 0.000 1.077 56 L CA 2.916 57.762 54.840 0.009 0.000 0.747 56 L CB -0.701 41.362 42.059 0.007 0.000 0.896 56 L HN -0.220 8.017 8.230 0.013 0.000 0.432 57 A N -0.307 122.517 122.820 0.007 0.000 1.940 57 A HA -0.247 nan 4.320 nan 0.000 0.219 57 A C 1.299 178.887 177.584 0.007 0.000 1.176 57 A CA 2.816 54.856 52.037 0.006 0.000 0.631 57 A CB -0.640 18.364 19.000 0.006 0.000 0.814 57 A HN 0.066 8.221 8.150 0.008 0.000 0.446 58 K N -3.481 116.923 120.400 0.008 0.000 2.487 58 K HA -0.036 nan 4.320 nan 0.000 0.192 58 K C 0.100 176.705 176.600 0.008 0.000 1.027 58 K CA -0.429 55.863 56.287 0.008 0.000 1.054 58 K CB -0.092 32.414 32.500 0.010 0.000 0.824 58 K HN -0.284 7.877 8.250 0.009 0.095 0.510 59 G N -0.322 108.482 108.800 0.007 0.000 2.182 59 G HA2 -0.396 nan 3.960 nan 0.000 0.248 59 G HA3 -0.396 nan 3.960 nan 0.000 0.248 59 G C -0.341 174.562 174.900 0.005 0.000 1.042 59 G CA 0.154 45.258 45.100 0.006 0.000 0.775 59 G HN -0.141 7.968 8.290 0.008 0.185 0.501 60 V N -6.565 113.353 119.914 0.006 0.000 2.811 60 V HA 0.193 nan 4.120 nan 0.000 0.302 60 V C 0.184 176.277 176.094 -0.002 0.000 1.063 60 V CA -0.592 61.710 62.300 0.002 0.000 1.088 60 V CB -0.012 31.815 31.823 0.006 0.000 0.982 60 V HN -0.722 7.473 8.190 0.008 0.000 0.485 61 K N 1.211 121.604 120.400 -0.011 0.000 2.379 61 K HA 0.099 nan 4.320 nan 0.000 0.194 61 K C -0.452 176.133 176.600 -0.024 0.000 1.031 61 K CA -0.622 55.655 56.287 -0.016 0.000 1.037 61 K CB 0.258 32.742 32.500 -0.028 0.000 0.824 61 K HN 0.749 8.989 8.250 -0.015 0.000 0.516 62 A N -4.197 118.605 122.820 -0.031 0.000 2.605 62 A HA 0.479 nan 4.320 nan 0.000 0.294 62 A C -2.810 174.753 177.584 -0.034 0.000 1.062 62 A CA -0.384 51.629 52.037 -0.041 0.000 0.682 62 A CB 3.121 22.069 19.000 -0.086 0.000 1.278 62 A HN -0.826 7.308 8.150 -0.027 0.000 0.410 63 L N -0.781 120.421 121.223 -0.035 0.000 2.386 63 L HA 0.777 nan 4.340 nan 0.000 0.271 63 L C -2.066 174.783 176.870 -0.034 0.000 0.993 63 L CA -1.241 53.585 54.840 -0.023 0.000 0.819 63 L CB 3.954 45.995 42.059 -0.030 0.000 1.294 63 L HN 0.477 8.683 8.230 -0.040 0.000 0.414 64 A N 4.090 126.927 122.820 0.029 0.000 2.291 64 A HA 0.824 nan 4.320 nan 0.000 0.311 64 A C -2.107 175.665 177.584 0.314 0.000 1.224 64 A CA -1.296 50.815 52.037 0.123 0.000 0.821 64 A CB 1.699 20.709 19.000 0.016 0.000 1.172 64 A HN 0.569 8.751 8.150 0.054 0.000 0.494 65 I N 2.941 123.687 120.570 0.293 0.000 2.465 65 I HA 0.460 nan 4.170 nan 0.000 0.291 65 I C -1.950 174.190 176.117 0.039 0.000 1.014 65 I CA -2.539 58.875 61.300 0.189 0.000 1.093 65 I CB 2.547 40.620 38.000 0.121 0.000 1.267 65 I HN 0.704 9.095 8.210 0.301 0.000 0.431 66 N N 6.691 125.272 118.700 -0.198 0.000 2.558 66 N HA 0.276 nan 4.740 nan 0.000 0.242 66 N C -1.372 174.104 175.510 -0.056 0.000 0.979 66 N CA -1.513 51.287 53.050 -0.415 0.000 0.931 66 N CB 1.716 39.778 38.487 -0.708 0.000 1.122 66 N HN -0.095 8.257 8.380 -0.045 0.000 0.508 67 L N 3.839 125.067 121.223 0.008 0.000 2.483 67 L HA -0.116 nan 4.340 nan 0.000 0.275 67 L C -0.211 176.671 176.870 0.020 0.000 1.220 67 L CA 0.881 55.749 54.840 0.047 0.000 0.833 67 L CB 0.518 42.581 42.059 0.007 0.000 1.102 67 L HN 0.249 8.486 8.230 0.011 0.000 0.490 68 V N 1.191 121.167 119.914 0.104 0.000 2.300 68 V HA -0.118 nan 4.120 nan 0.000 0.241 68 V C 0.634 176.757 176.094 0.049 0.000 1.034 68 V CA 3.188 65.587 62.300 0.165 0.000 1.021 68 V CB 0.444 32.397 31.823 0.217 0.000 0.662 68 V HN 0.127 8.585 8.190 0.109 -0.203 0.458 69 D N -1.610 118.811 120.400 0.034 0.000 2.280 69 D HA 0.515 nan 4.640 nan 0.000 0.236 69 D C -1.493 174.772 176.300 -0.058 0.000 1.082 69 D CA -3.150 50.849 54.000 -0.002 0.000 0.834 69 D CB 1.036 41.843 40.800 0.012 0.000 1.100 69 D HN -0.249 8.537 8.370 0.050 -0.386 0.486 70 P HA -0.197 nan 4.420 nan 0.000 0.217 70 P C 0.074 177.277 177.300 -0.162 0.000 1.148 70 P CA 2.075 65.071 63.100 -0.172 0.000 0.834 70 P CB 0.267 31.853 31.700 -0.190 0.000 0.783 71 A N -4.265 118.494 122.820 -0.102 0.000 2.167 71 A HA -0.011 nan 4.320 nan 0.000 0.214 71 A C 1.230 178.774 177.584 -0.067 0.000 1.151 71 A CA 1.621 53.608 52.037 -0.084 0.000 0.735 71 A CB -0.766 18.203 19.000 -0.052 0.000 0.802 71 A HN -0.190 8.179 8.150 -0.079 -0.266 0.467 72 A N -2.939 119.850 122.820 -0.052 0.000 2.235 72 A HA -0.034 nan 4.320 nan 0.000 0.208 72 A C 0.822 178.399 177.584 -0.012 0.000 1.172 72 A CA 0.696 52.723 52.037 -0.016 0.000 0.786 72 A CB -0.718 18.294 19.000 0.020 0.000 0.804 72 A HN 0.007 7.968 8.150 -0.056 0.156 0.479 73 A N -1.163 121.593 122.820 -0.108 0.000 1.903 73 A HA -0.400 nan 4.320 nan 0.000 0.219 73 A C 1.747 179.347 177.584 0.026 0.000 1.191 73 A CA 3.497 55.437 52.037 -0.161 0.000 0.638 73 A CB -0.827 17.903 19.000 -0.450 0.000 0.823 73 A HN -0.556 7.432 8.150 -0.159 0.066 0.451 74 G N -3.602 105.192 108.800 -0.009 0.000 2.446 74 G HA2 -0.495 nan 3.960 nan 0.000 0.217 74 G HA3 -0.495 nan 3.960 nan 0.000 0.217 74 G C 0.947 175.863 174.900 0.025 0.000 1.168 74 G CA 2.426 47.533 45.100 0.012 0.000 0.771 74 G HN 0.271 8.532 8.290 -0.047 0.000 0.551 75 T N 4.234 118.803 114.554 0.025 0.000 2.684 75 T HA -0.349 nan 4.350 nan 0.000 0.267 75 T C 2.269 176.997 174.700 0.047 0.000 1.036 75 T CA 4.658 66.774 62.100 0.027 0.000 1.148 75 T CB -0.427 68.458 68.868 0.028 0.000 0.863 75 T HN -0.178 8.071 8.240 0.016 0.000 0.436 76 V N 1.862 121.840 119.914 0.105 0.000 2.295 76 V HA -0.371 nan 4.120 nan 0.000 0.246 76 V C 1.616 177.761 176.094 0.085 0.000 1.049 76 V CA 4.510 66.891 62.300 0.135 0.000 1.024 76 V CB -0.917 31.081 31.823 0.290 0.000 0.648 76 V HN -0.287 7.976 8.190 0.121 0.000 0.447 77 I N -0.634 120.007 120.570 0.117 0.000 2.286 77 I HA -0.596 nan 4.170 nan 0.000 0.248 77 I C 1.780 177.772 176.117 -0.208 0.000 1.115 77 I CA 4.500 65.776 61.300 -0.039 0.000 1.392 77 I CB -0.263 37.779 38.000 0.070 0.000 1.065 77 I HN 0.253 8.580 8.210 0.195 0.000 0.418 78 E N -1.151 118.984 120.200 -0.108 0.000 2.204 78 E HA -0.279 nan 4.350 nan 0.000 0.194 78 E C 2.692 179.227 176.600 -0.108 0.000 0.989 78 E CA 2.551 58.879 56.400 -0.120 0.000 0.824 78 E CB -0.918 28.746 29.700 -0.060 0.000 0.756 78 E HN -0.043 8.292 8.360 -0.042 0.000 0.477 79 K N -0.629 119.728 120.400 -0.071 0.000 2.076 79 K HA -0.166 nan 4.320 nan 0.000 0.204 79 K C 2.315 178.875 176.600 -0.068 0.000 1.051 79 K CA 2.717 58.975 56.287 -0.048 0.000 0.949 79 K CB 0.009 32.499 32.500 -0.016 0.000 0.726 79 K HN -0.634 7.566 8.250 -0.050 0.021 0.443 80 A N -1.429 121.334 122.820 -0.096 0.000 1.898 80 A HA -0.162 nan 4.320 nan 0.000 0.216 80 A C 2.119 179.626 177.584 -0.128 0.000 1.181 80 A CA 2.725 54.713 52.037 -0.082 0.000 0.620 80 A CB -0.566 18.406 19.000 -0.047 0.000 0.819 80 A HN 0.035 8.128 8.150 -0.095 0.000 0.442 81 R N -0.429 119.865 120.500 -0.343 0.000 2.091 81 R HA -0.311 nan 4.340 nan 0.000 0.238 81 R C 2.736 178.984 176.300 -0.087 0.000 1.136 81 R CA 3.171 59.068 56.100 -0.338 0.000 0.959 81 R CB -0.316 29.673 30.300 -0.519 0.000 0.856 81 R HN 0.322 8.334 8.270 -0.430 0.000 0.437 82 G N -1.238 107.517 108.800 -0.075 0.000 2.475 82 G HA2 -0.305 nan 3.960 nan 0.000 0.220 82 G HA3 -0.305 nan 3.960 nan 0.000 0.220 82 G C 0.581 175.480 174.900 -0.002 0.000 1.125 82 G CA 1.597 46.679 45.100 -0.028 0.000 0.755 82 G HN -0.397 7.830 8.290 -0.105 0.000 0.565 83 Q N 0.040 119.841 119.800 0.002 0.000 2.220 83 Q HA 0.001 nan 4.340 nan 0.000 0.205 83 Q C -0.523 175.506 176.000 0.049 0.000 0.865 83 Q CA -1.273 54.543 55.803 0.020 0.000 0.960 83 Q CB 0.531 29.276 28.738 0.013 0.000 1.097 83 Q HN -0.565 7.573 8.270 -0.015 0.123 0.493 84 N N -2.029 116.719 118.700 0.081 0.000 2.716 84 N HA -0.514 nan 4.740 nan 0.000 0.250 84 N C -1.433 174.166 175.510 0.149 0.000 1.033 84 N CA 1.404 54.541 53.050 0.146 0.000 0.727 84 N CB -1.272 37.274 38.487 0.097 0.000 0.950 84 N HN -0.158 8.058 8.380 0.062 0.201 0.541 85 V N 0.808 120.818 119.914 0.161 0.000 2.427 85 V HA 0.173 nan 4.120 nan 0.000 0.286 85 V C -2.586 173.622 176.094 0.190 0.000 1.034 85 V CA -2.999 59.372 62.300 0.118 0.000 0.893 85 V CB 0.809 32.669 31.823 0.063 0.000 0.982 85 V HN -0.561 7.622 8.190 0.163 0.105 0.452 86 P HA -0.012 nan 4.420 nan 0.000 0.266 86 P C -1.756 175.581 177.300 0.061 0.000 1.195 86 P CA -0.016 63.134 63.100 0.084 0.000 0.768 86 P CB 0.505 32.209 31.700 0.007 0.000 0.838 87 V N 2.218 122.163 119.914 0.052 0.000 2.483 87 V HA 0.475 nan 4.120 nan 0.000 0.297 87 V C -1.016 174.994 176.094 -0.139 0.000 1.027 87 V CA -0.830 61.386 62.300 -0.140 0.000 0.855 87 V CB 2.039 33.631 31.823 -0.385 0.000 0.995 87 V HN -0.161 8.098 8.190 0.114 0.000 0.424 88 V N 6.550 126.398 119.914 -0.111 0.000 2.318 88 V HA 0.564 nan 4.120 nan 0.000 0.271 88 V C -0.406 175.726 176.094 0.062 0.000 1.030 88 V CA -1.532 60.773 62.300 0.010 0.000 0.844 88 V CB -0.532 31.268 31.823 -0.038 0.000 1.015 88 V HN 0.832 8.852 8.190 -0.109 0.104 0.460 89 F N 8.368 128.483 119.950 0.275 0.000 2.443 89 F HA 0.470 nan 4.527 nan 0.000 0.353 89 F C -0.807 175.197 175.800 0.339 0.000 1.101 89 F CA 0.276 58.462 58.000 0.311 0.000 1.226 89 F CB 0.646 39.848 39.000 0.336 0.000 1.140 89 F HN 0.495 9.000 8.300 0.341 0.000 0.557 90 F N -0.113 119.988 119.950 0.251 0.000 2.629 90 F HA 0.531 nan 4.527 nan 0.000 0.316 90 F C -0.492 175.393 175.800 0.141 0.000 1.081 90 F CA -1.849 56.135 58.000 -0.025 0.000 0.954 90 F CB 3.037 41.977 39.000 -0.100 0.000 1.337 90 F HN 0.569 9.006 8.300 0.228 0.000 0.474 91 N N 0.788 119.586 118.700 0.162 0.000 2.309 91 N HA -0.549 nan 4.740 nan 0.000 0.227 91 N C -1.035 174.576 175.510 0.168 0.000 0.815 91 N CA 2.967 56.127 53.050 0.184 0.000 2.729 91 N CB -0.217 38.339 38.487 0.114 0.000 0.821 91 N HN 0.580 8.991 8.380 0.051 0.000 0.479 92 K N 1.903 122.339 120.400 0.060 0.000 2.263 92 K HA 0.098 nan 4.320 nan 0.000 0.272 92 K C -1.284 175.225 176.600 -0.152 0.000 1.033 92 K CA -1.094 55.104 56.287 -0.148 0.000 0.884 92 K CB 0.464 32.829 32.500 -0.225 0.000 1.107 92 K HN -0.309 7.902 8.250 0.027 0.056 0.460 93 E N 5.928 125.918 120.200 -0.351 0.000 2.259 93 E HA 0.080 nan 4.350 nan 0.000 0.281 93 E C -1.700 174.582 176.600 -0.529 0.000 1.037 93 E CA -2.587 53.376 56.400 -0.729 0.000 0.854 93 E CB 0.772 30.038 29.700 -0.723 0.000 1.051 93 E HN 0.160 8.314 8.360 -0.343 0.000 0.409 94 P HA 0.090 nan 4.420 nan 0.000 0.272 94 P C -1.003 176.095 177.300 -0.336 0.000 1.230 94 P CA -0.766 62.058 63.100 -0.461 0.000 0.788 94 P CB 0.777 32.104 31.700 -0.621 0.000 0.949 95 S N 0.357 115.911 115.700 -0.244 0.000 2.561 95 S HA -0.268 nan 4.470 nan 0.000 0.294 95 S C 1.744 176.259 174.600 -0.141 0.000 1.294 95 S CA -0.344 57.757 58.200 -0.164 0.000 1.055 95 S CB 1.485 64.611 63.200 -0.123 0.000 0.819 95 S HN 0.350 8.513 8.310 -0.245 0.000 0.503 96 R N 7.122 127.558 120.500 -0.106 0.000 2.105 96 R HA -0.284 nan 4.340 nan 0.000 0.239 96 R C 1.775 178.043 176.300 -0.053 0.000 1.135 96 R CA 2.845 58.900 56.100 -0.075 0.000 0.967 96 R CB -0.114 30.153 30.300 -0.055 0.000 0.861 96 R HN 0.729 8.939 8.270 -0.101 0.000 0.442 97 K N -1.837 118.534 120.400 -0.050 0.000 2.155 97 K HA -0.191 nan 4.320 nan 0.000 0.203 97 K C 1.828 178.413 176.600 -0.024 0.000 1.052 97 K CA 2.675 58.944 56.287 -0.031 0.000 0.948 97 K CB -0.291 32.191 32.500 -0.030 0.000 0.728 97 K HN -0.425 7.768 8.250 -0.059 0.022 0.448 98 A N 0.056 122.849 122.820 -0.046 0.000 1.872 98 A HA -0.165 nan 4.320 nan 0.000 0.214 98 A C 2.118 179.707 177.584 0.009 0.000 1.187 98 A CA 2.658 54.675 52.037 -0.033 0.000 0.614 98 A CB -0.715 18.226 19.000 -0.098 0.000 0.826 98 A HN -0.744 7.273 8.150 -0.071 0.091 0.442 99 L N -1.328 119.885 121.223 -0.016 0.000 2.043 99 L HA -0.535 nan 4.340 nan 0.000 0.212 99 L C 2.264 179.145 176.870 0.018 0.000 1.075 99 L CA 3.087 57.944 54.840 0.029 0.000 0.752 99 L CB -0.384 41.671 42.059 -0.007 0.000 0.891 99 L HN 0.230 8.420 8.230 -0.066 0.000 0.432 100 D N -3.515 116.883 120.400 -0.002 0.000 2.312 100 D HA -0.140 nan 4.640 nan 0.000 0.211 100 D C 1.571 177.887 176.300 0.027 0.000 0.964 100 D CA 2.367 56.364 54.000 -0.004 0.000 0.877 100 D CB -0.558 40.235 40.800 -0.010 0.000 0.924 100 D HN 0.100 8.462 8.370 -0.013 0.000 0.515 101 S N -1.572 114.163 115.700 0.057 0.000 2.555 101 S HA -0.162 nan 4.470 nan 0.000 0.230 101 S C -0.427 174.277 174.600 0.172 0.000 0.978 101 S CA 1.615 59.866 58.200 0.084 0.000 0.934 101 S CB 0.863 64.102 63.200 0.066 0.000 0.766 101 S HN -0.371 7.823 8.310 0.050 0.146 0.533 102 Y N 1.059 121.363 120.300 0.006 0.000 2.470 102 Y HA 0.181 nan 4.550 nan 0.000 0.341 102 Y C -1.980 173.909 175.900 -0.018 0.000 1.021 102 Y CA -1.856 56.251 58.100 0.012 0.000 1.025 102 Y CB 2.843 41.329 38.460 0.044 0.000 1.266 102 Y HN -0.751 7.572 8.280 0.161 0.054 0.448 103 D N 6.041 126.290 120.400 -0.252 0.000 2.269 103 D HA -0.182 nan 4.640 nan 0.000 0.208 103 D C -0.407 175.617 176.300 -0.460 0.000 0.963 103 D CA 2.067 55.887 54.000 -0.299 0.000 0.864 103 D CB 0.355 41.054 40.800 -0.168 0.000 0.936 103 D HN 0.491 8.828 8.370 -0.055 0.000 0.505 104 K N -3.480 116.368 120.400 -0.919 0.000 2.514 104 K HA 0.208 nan 4.320 nan 0.000 0.207 104 K C -1.913 174.535 176.600 -0.253 0.000 1.035 104 K CA -1.307 54.661 56.287 -0.531 0.000 1.113 104 K CB -0.359 31.790 32.500 -0.585 0.000 0.846 104 K HN -0.240 6.882 8.250 -1.820 0.036 0.491 105 A N -0.544 122.124 122.820 -0.254 0.000 2.274 105 A HA 0.461 nan 4.320 nan 0.000 0.309 105 A C -1.557 175.947 177.584 -0.134 0.000 1.226 105 A CA -0.546 51.527 52.037 0.059 0.000 0.853 105 A CB 1.111 20.280 19.000 0.281 0.000 1.146 105 A HN -0.851 7.003 8.150 -0.389 0.062 0.518 106 Y N 0.329 120.708 120.300 0.133 0.000 2.602 106 Y HA 0.459 nan 4.550 nan 0.000 0.342 106 Y C -2.093 173.973 175.900 0.276 0.000 1.029 106 Y CA -1.682 56.503 58.100 0.142 0.000 1.080 106 Y CB 4.615 43.093 38.460 0.031 0.000 1.284 106 Y HN 0.223 8.703 8.280 0.335 0.000 0.485 107 Y N -0.086 120.371 120.300 0.263 0.000 2.406 107 Y HA 0.521 nan 4.550 nan 0.000 0.340 107 Y C -2.628 173.362 175.900 0.150 0.000 0.975 107 Y CA -1.617 56.619 58.100 0.227 0.000 1.056 107 Y CB 3.425 41.980 38.460 0.159 0.000 1.210 107 Y HN 0.463 8.971 8.280 0.380 0.000 0.448 108 V N 8.114 127.581 119.914 -0.746 0.000 2.357 108 V HA 0.673 nan 4.120 nan 0.000 0.284 108 V C -1.731 173.835 176.094 -0.879 0.000 1.018 108 V CA -1.609 60.329 62.300 -0.603 0.000 0.841 108 V CB 0.642 32.247 31.823 -0.363 0.000 0.991 108 V HN 0.352 8.156 8.190 -0.643 0.000 0.437 109 G N 5.894 114.376 108.800 -0.529 0.000 2.933 109 G HA2 0.615 nan 3.960 nan 0.000 0.203 109 G HA3 0.615 nan 3.960 nan 0.000 0.203 109 G C -2.841 172.047 174.900 -0.020 0.000 1.170 109 G CA 0.106 45.113 45.100 -0.155 0.000 0.880 109 G HN 0.653 8.751 8.290 -0.319 0.000 0.573 110 T N -3.395 111.212 114.554 0.088 0.000 2.841 110 T HA 0.429 nan 4.350 nan 0.000 0.296 110 T C -1.634 173.155 174.700 0.149 0.000 1.166 110 T CA -1.545 60.561 62.100 0.010 0.000 1.007 110 T CB 3.285 72.022 68.868 -0.218 0.000 1.253 110 T HN -0.095 8.274 8.240 0.214 0.000 0.511 111 D N 0.627 121.125 120.400 0.163 0.000 2.393 111 D HA 0.209 nan 4.640 nan 0.000 0.232 111 D C 1.104 177.540 176.300 0.227 0.000 1.192 111 D CA -1.730 52.364 54.000 0.156 0.000 0.882 111 D CB -0.373 40.492 40.800 0.108 0.000 1.038 111 D HN 0.344 8.794 8.370 0.134 0.000 0.499 112 S N 7.388 123.195 115.700 0.179 0.000 2.380 112 S HA -0.425 nan 4.470 nan 0.000 0.229 112 S C 1.735 176.331 174.600 -0.005 0.000 1.043 112 S CA 3.379 61.672 58.200 0.155 0.000 1.038 112 S CB -0.185 63.093 63.200 0.129 0.000 0.872 112 S HN 0.205 8.604 8.310 0.149 0.000 0.456 113 K N 1.180 121.510 120.400 -0.116 0.000 2.089 113 K HA -0.383 nan 4.320 nan 0.000 0.210 113 K C 1.798 178.252 176.600 -0.244 0.000 1.048 113 K CA 3.377 59.447 56.287 -0.362 0.000 0.926 113 K CB -0.431 31.742 32.500 -0.544 0.000 0.714 113 K HN 0.003 8.187 8.250 -0.089 0.012 0.448 114 E N -1.553 118.574 120.200 -0.121 0.000 2.150 114 E HA -0.298 nan 4.350 nan 0.000 0.193 114 E C 2.170 178.654 176.600 -0.194 0.000 0.985 114 E CA 3.157 59.516 56.400 -0.069 0.000 0.814 114 E CB -0.184 29.570 29.700 0.091 0.000 0.752 114 E HN -0.296 8.010 8.360 -0.040 0.030 0.466 115 S N -0.843 114.546 115.700 -0.518 0.000 2.383 115 S HA -0.211 nan 4.470 nan 0.000 0.227 115 S C 2.369 176.782 174.600 -0.312 0.000 1.026 115 S CA 3.429 61.184 58.200 -0.742 0.000 0.981 115 S CB -0.702 61.679 63.200 -1.365 0.000 0.818 115 S HN -0.243 7.757 8.310 -0.490 0.016 0.472 116 G N 2.121 110.815 108.800 -0.178 0.000 2.433 116 G HA2 -0.334 nan 3.960 nan 0.000 0.216 116 G HA3 -0.334 nan 3.960 nan 0.000 0.216 116 G C 0.857 175.743 174.900 -0.023 0.000 1.186 116 G CA 2.145 47.219 45.100 -0.042 0.000 0.779 116 G HN -0.666 7.508 8.290 -0.193 0.000 0.543 117 V N 3.643 123.554 119.914 -0.005 0.000 2.255 117 V HA -0.468 nan 4.120 nan 0.000 0.247 117 V C 2.105 178.181 176.094 -0.030 0.000 1.051 117 V CA 4.053 66.355 62.300 0.003 0.000 1.018 117 V CB -0.538 31.286 31.823 0.002 0.000 0.641 117 V HN -0.190 7.984 8.190 -0.027 0.000 0.445 118 I N -1.826 118.717 120.570 -0.046 0.000 2.208 118 I HA -0.659 nan 4.170 nan 0.000 0.245 118 I C 1.844 177.939 176.117 -0.037 0.000 1.097 118 I CA 4.217 65.501 61.300 -0.026 0.000 1.363 118 I CB -0.538 37.452 38.000 -0.017 0.000 1.051 118 I HN -0.050 8.120 8.210 -0.068 0.000 0.413 119 Q N -0.151 119.604 119.800 -0.074 0.000 2.119 119 Q HA -0.316 nan 4.340 nan 0.000 0.201 119 Q C 2.718 178.620 176.000 -0.164 0.000 0.972 119 Q CA 3.563 59.311 55.803 -0.091 0.000 0.847 119 Q CB -0.138 28.540 28.738 -0.099 0.000 0.903 119 Q HN 0.284 8.496 8.270 -0.097 0.000 0.433 120 G N -1.223 107.492 108.800 -0.143 0.000 2.408 120 G HA2 -0.353 nan 3.960 nan 0.000 0.217 120 G HA3 -0.353 nan 3.960 nan 0.000 0.217 120 G C 1.057 175.883 174.900 -0.124 0.000 1.150 120 G CA 2.053 47.053 45.100 -0.168 0.000 0.776 120 G HN 0.100 8.328 8.290 -0.105 0.000 0.542 121 D N 2.837 123.199 120.400 -0.064 0.000 2.178 121 D HA -0.115 nan 4.640 nan 0.000 0.202 121 D C 2.542 178.844 176.300 0.003 0.000 0.974 121 D CA 3.114 57.099 54.000 -0.025 0.000 0.841 121 D CB -0.364 40.436 40.800 -0.001 0.000 0.953 121 D HN -0.119 8.147 8.370 -0.054 0.072 0.478 122 L N -0.494 120.741 121.223 0.019 0.000 2.027 122 L HA -0.341 nan 4.340 nan 0.000 0.206 122 L C 2.320 179.302 176.870 0.186 0.000 1.074 122 L CA 3.272 58.212 54.840 0.168 0.000 0.745 122 L CB -0.085 42.131 42.059 0.261 0.000 0.898 122 L HN -0.036 8.107 8.230 -0.012 0.079 0.433 123 I N -0.832 119.597 120.570 -0.235 0.000 2.179 123 I HA -0.618 nan 4.170 nan 0.000 0.242 123 I C 1.458 177.609 176.117 0.057 0.000 1.088 123 I CA 4.132 65.219 61.300 -0.355 0.000 1.357 123 I CB -0.504 37.096 38.000 -0.667 0.000 1.051 123 I HN -0.345 7.662 8.210 -0.338 0.000 0.409 124 A N -1.080 121.738 122.820 -0.004 0.000 1.873 124 A HA -0.440 nan 4.320 nan 0.000 0.218 124 A C 1.485 179.140 177.584 0.117 0.000 1.193 124 A CA 3.533 55.609 52.037 0.064 0.000 0.629 124 A CB -1.150 17.854 19.000 0.006 0.000 0.826 124 A HN 0.171 8.269 8.150 -0.087 0.000 0.447 125 K N -1.643 118.788 120.400 0.051 0.000 2.032 125 K HA -0.415 nan 4.320 nan 0.000 0.209 125 K C 2.353 178.914 176.600 -0.065 0.000 1.048 125 K CA 3.262 59.523 56.287 -0.044 0.000 0.927 125 K CB 0.036 32.448 32.500 -0.147 0.000 0.712 125 K HN -0.331 7.942 8.250 0.037 0.000 0.441 126 H N -1.903 117.296 119.070 0.215 0.000 2.512 126 H HA -0.125 nan 4.556 nan 0.000 0.279 126 H C 2.127 177.476 175.328 0.035 0.000 0.999 126 H CA 3.103 59.247 56.048 0.160 0.000 1.283 126 H CB 0.231 30.295 29.762 0.502 0.000 1.421 126 H HN -0.375 8.094 8.280 0.316 0.000 0.554 127 W N 0.209 121.633 121.300 0.206 0.000 2.379 127 W HA -0.417 nan 4.660 nan 0.000 0.307 127 W C 2.084 178.588 176.519 -0.025 0.000 1.200 127 W CA 3.090 60.535 57.345 0.167 0.000 1.297 127 W CB 0.558 30.151 29.460 0.222 0.000 1.140 127 W HN 0.439 8.966 8.180 0.579 0.000 0.507 128 Q N -1.755 118.125 119.800 0.134 0.000 2.030 128 Q HA -0.429 nan 4.340 nan 0.000 0.204 128 Q C 1.729 177.635 176.000 -0.157 0.000 0.986 128 Q CA 2.675 58.468 55.803 -0.018 0.000 0.843 128 Q CB -1.111 27.636 28.738 0.014 0.000 0.904 128 Q HN -0.388 8.036 8.270 0.257 0.000 0.420 129 A N -3.769 118.953 122.820 -0.162 0.000 2.019 129 A HA -0.149 nan 4.320 nan 0.000 0.219 129 A C 0.338 177.719 177.584 -0.339 0.000 1.164 129 A CA 1.468 53.380 52.037 -0.209 0.000 0.644 129 A CB 0.093 18.986 19.000 -0.177 0.000 0.805 129 A HN -0.482 7.603 8.150 -0.109 0.000 0.449 130 N N -1.563 116.797 118.700 -0.567 0.000 2.898 130 N HA 0.186 nan 4.740 nan 0.000 0.245 130 N C -0.293 174.788 175.510 -0.716 0.000 1.185 130 N CA -0.548 52.022 53.050 -0.800 0.000 0.879 130 N CB 0.114 37.594 38.487 -1.678 0.000 1.157 130 N HN -0.547 7.345 8.380 -0.553 0.156 0.503 131 Q N 3.357 122.878 119.800 -0.464 0.000 2.226 131 Q HA -0.270 nan 4.340 nan 0.000 0.204 131 Q C 1.660 177.464 176.000 -0.327 0.000 0.975 131 Q CA 3.364 58.921 55.803 -0.410 0.000 0.866 131 Q CB -0.075 28.510 28.738 -0.256 0.000 0.915 131 Q HN -0.069 7.977 8.270 -0.374 0.000 0.440 132 G N -2.169 106.498 108.800 -0.222 0.000 2.598 132 G HA2 -0.168 nan 3.960 nan 0.000 0.215 132 G HA3 -0.168 nan 3.960 nan 0.000 0.215 132 G C 0.350 175.300 174.900 0.084 0.000 1.131 132 G CA -0.083 44.980 45.100 -0.063 0.000 0.785 132 G HN 0.237 8.346 8.290 -0.259 0.026 0.539 133 W N -1.449 119.730 121.300 -0.200 0.000 2.525 133 W HA -0.098 nan 4.660 nan 0.000 0.259 133 W C 0.048 176.514 176.519 -0.088 0.000 1.253 133 W CA -1.359 55.925 57.345 -0.101 0.000 1.262 133 W CB -0.336 29.107 29.460 -0.028 0.000 1.122 133 W HN -0.496 7.458 8.180 -0.117 0.156 0.607 134 D N 0.710 121.041 120.400 -0.116 0.000 2.558 134 D HA 0.097 nan 4.640 nan 0.000 0.221 134 D C 0.715 177.074 176.300 0.100 0.000 1.143 134 D CA -1.290 52.742 54.000 0.054 0.000 1.010 134 D CB -1.482 39.250 40.800 -0.115 0.000 1.068 134 D HN -0.644 7.511 8.370 -0.283 0.045 0.511 135 L N 3.723 125.036 121.223 0.149 0.000 2.013 135 L HA -0.353 nan 4.340 nan 0.000 0.212 135 L C 1.329 178.247 176.870 0.080 0.000 1.073 135 L CA 2.540 57.441 54.840 0.102 0.000 0.753 135 L CB -0.412 41.706 42.059 0.100 0.000 0.890 135 L HN -0.290 8.017 8.230 0.205 0.046 0.432 136 N N -2.538 116.219 118.700 0.094 0.000 2.362 136 N HA -0.035 nan 4.740 nan 0.000 0.204 136 N C -0.438 175.114 175.510 0.070 0.000 1.166 136 N CA -0.645 52.447 53.050 0.070 0.000 0.831 136 N CB -0.120 38.405 38.487 0.064 0.000 1.008 136 N HN -0.535 8.146 8.380 0.117 -0.231 0.472 137 K N -2.338 118.106 120.400 0.073 0.000 3.003 137 K HA -0.352 nan 4.320 nan 0.000 0.257 137 K C -0.637 176.006 176.600 0.072 0.000 0.958 137 K CA 1.065 57.387 56.287 0.058 0.000 0.707 137 K CB -1.804 30.715 32.500 0.031 0.000 1.279 137 K HN 0.107 8.229 8.250 0.070 0.171 0.479 138 D N -2.718 117.745 120.400 0.105 0.000 2.363 138 D HA -0.008 nan 4.640 nan 0.000 0.214 138 D C 1.231 177.605 176.300 0.124 0.000 1.093 138 D CA -0.657 53.400 54.000 0.095 0.000 0.837 138 D CB -0.380 40.469 40.800 0.082 0.000 0.948 138 D HN -0.518 8.071 8.370 0.122 -0.146 0.507 139 G N 1.216 110.124 108.800 0.180 0.000 2.220 139 G HA2 -0.507 nan 3.960 nan 0.000 0.269 139 G HA3 -0.507 nan 3.960 nan 0.000 0.269 139 G C -0.973 174.109 174.900 0.303 0.000 0.977 139 G CA 0.597 45.840 45.100 0.239 0.000 0.634 139 G HN 0.208 8.718 8.290 0.158 -0.125 0.539 140 K N -0.497 120.046 120.400 0.239 0.000 2.118 140 K HA 0.418 nan 4.320 nan 0.000 0.254 140 K C -0.818 175.820 176.600 0.064 0.000 0.961 140 K CA -1.585 54.769 56.287 0.113 0.000 0.876 140 K CB 1.979 34.512 32.500 0.055 0.000 1.077 140 K HN -0.830 7.614 8.250 0.194 -0.077 0.440 141 I N 2.913 123.345 120.570 -0.231 0.000 2.325 141 I HA -0.069 nan 4.170 nan 0.000 0.291 141 I C -1.314 174.768 176.117 -0.058 0.000 1.019 141 I CA -0.417 60.645 61.300 -0.396 0.000 1.302 141 I CB 0.574 38.149 38.000 -0.708 0.000 1.401 141 I HN 0.669 8.631 8.210 -0.236 0.106 0.485 142 Q N 7.469 127.272 119.800 0.006 0.000 2.340 142 Q HA 0.604 nan 4.340 nan 0.000 0.259 142 Q C -1.570 174.422 176.000 -0.014 0.000 0.964 142 Q CA -0.948 54.837 55.803 -0.030 0.000 0.900 142 Q CB 1.036 29.758 28.738 -0.026 0.000 1.228 142 Q HN 0.215 8.639 8.270 0.037 -0.132 0.449 143 Y N 0.036 120.241 120.300 -0.158 0.000 2.669 143 Y HA 0.921 nan 4.550 nan 0.000 0.335 143 Y C -2.565 173.201 175.900 -0.222 0.000 1.116 143 Y CA -2.801 55.200 58.100 -0.164 0.000 1.081 143 Y CB 3.362 41.723 38.460 -0.164 0.000 1.297 143 Y HN 0.708 8.690 8.280 -0.497 0.000 0.484 144 V N -6.732 113.126 119.914 -0.095 0.000 2.823 144 V HA 0.856 nan 4.120 nan 0.000 0.312 144 V C -2.462 173.658 176.094 0.044 0.000 1.072 144 V CA -2.820 59.286 62.300 -0.323 0.000 0.937 144 V CB 2.934 34.416 31.823 -0.569 0.000 1.013 144 V HN 0.390 8.634 8.190 0.091 0.000 0.430 145 L N 2.868 124.106 121.223 0.026 0.000 2.385 145 L HA 0.939 nan 4.340 nan 0.000 0.273 145 L C -2.241 174.766 176.870 0.228 0.000 0.990 145 L CA -1.804 53.139 54.840 0.171 0.000 0.821 145 L CB 3.445 45.629 42.059 0.208 0.000 1.279 145 L HN 0.292 8.413 8.230 -0.182 0.000 0.412 146 L N 5.654 126.999 121.223 0.204 0.000 2.277 146 L HA 0.358 nan 4.340 nan 0.000 0.284 146 L C -1.889 174.999 176.870 0.030 0.000 1.028 146 L CA -1.094 53.837 54.840 0.152 0.000 0.835 146 L CB 0.463 42.603 42.059 0.135 0.000 1.215 146 L HN 0.579 8.908 8.230 0.166 0.000 0.425 147 K N 4.505 124.888 120.400 -0.028 0.000 2.118 147 K HA 0.422 nan 4.320 nan 0.000 0.267 147 K C -0.111 176.276 176.600 -0.354 0.000 0.991 147 K CA -1.275 54.922 56.287 -0.150 0.000 0.916 147 K CB 2.873 35.310 32.500 -0.106 0.000 1.041 147 K HN -0.154 8.103 8.250 0.013 0.000 0.455 148 G N 2.628 111.001 108.800 -0.711 0.000 2.580 148 G HA2 -0.009 nan 3.960 nan 0.000 0.225 148 G HA3 -0.009 nan 3.960 nan 0.000 0.225 148 G C -1.099 173.171 174.900 -1.050 0.000 1.521 148 G CA -0.951 43.215 45.100 -1.555 0.000 1.068 148 G HN 0.019 8.259 8.290 -0.591 -0.305 0.564 149 E N 0.696 120.209 120.200 -1.145 0.000 2.299 149 E HA 0.111 nan 4.350 nan 0.000 0.272 149 E C -1.220 175.277 176.600 -0.172 0.000 1.043 149 E CA -1.932 54.248 56.400 -0.366 0.000 0.895 149 E CB -0.035 29.657 29.700 -0.012 0.000 1.011 149 E HN 0.040 7.241 8.360 -1.931 0.000 0.432 150 P HA -0.273 nan 4.420 nan 0.000 0.267 150 P C -0.137 177.167 177.300 0.006 0.000 1.209 150 P CA 0.486 63.556 63.100 -0.051 0.000 0.763 150 P CB -0.289 31.382 31.700 -0.049 0.000 0.816 151 G N 5.002 113.818 108.800 0.026 0.000 2.279 151 G HA2 -0.409 nan 3.960 nan 0.000 0.223 151 G HA3 -0.409 nan 3.960 nan 0.000 0.223 151 G C -0.321 174.628 174.900 0.082 0.000 1.015 151 G CA -0.247 44.875 45.100 0.036 0.000 0.621 151 G HN 0.469 9.069 8.290 0.019 -0.299 0.506 152 H N 5.507 124.596 119.070 0.033 0.000 3.004 152 H HA 0.132 nan 4.556 nan 0.000 0.316 152 H C -1.111 174.280 175.328 0.105 0.000 1.014 152 H CA -0.464 55.645 56.048 0.102 0.000 1.454 152 H CB 1.078 30.997 29.762 0.261 0.000 1.472 152 H HN -0.401 7.801 8.280 0.193 0.194 0.571 153 P HA -0.292 nan 4.420 nan 0.000 0.216 153 P C 1.196 178.643 177.300 0.244 0.000 1.150 153 P CA 2.790 65.934 63.100 0.072 0.000 0.843 153 P CB 0.219 31.882 31.700 -0.061 0.000 0.787 154 D N -2.448 118.262 120.400 0.515 0.000 2.144 154 D HA -0.221 nan 4.640 nan 0.000 0.200 154 D C 1.703 178.244 176.300 0.400 0.000 0.978 154 D CA 3.222 57.500 54.000 0.463 0.000 0.833 154 D CB -0.599 40.507 40.800 0.510 0.000 0.961 154 D HN -0.360 8.441 8.370 0.738 0.012 0.470 155 A N -0.243 122.829 122.820 0.420 0.000 1.873 155 A HA -0.235 nan 4.320 nan 0.000 0.215 155 A C 2.332 179.962 177.584 0.076 0.000 1.186 155 A CA 3.243 55.338 52.037 0.096 0.000 0.616 155 A CB -0.684 18.198 19.000 -0.195 0.000 0.823 155 A HN -0.514 7.901 8.150 0.599 0.095 0.442 156 E N -1.802 118.466 120.200 0.114 0.000 2.072 156 E HA -0.297 nan 4.350 nan 0.000 0.190 156 E C 2.442 179.113 176.600 0.119 0.000 0.982 156 E CA 2.779 59.227 56.400 0.080 0.000 0.803 156 E CB -0.215 29.531 29.700 0.076 0.000 0.755 156 E HN -0.255 8.209 8.360 0.172 0.000 0.453 157 A N -0.556 122.367 122.820 0.171 0.000 1.930 157 A HA -0.235 nan 4.320 nan 0.000 0.217 157 A C 2.275 180.016 177.584 0.262 0.000 1.175 157 A CA 3.057 55.256 52.037 0.270 0.000 0.627 157 A CB -0.600 18.497 19.000 0.162 0.000 0.815 157 A HN 0.079 8.330 8.150 0.168 0.000 0.443 158 R N -2.628 117.954 120.500 0.137 0.000 2.115 158 R HA -0.304 nan 4.340 nan 0.000 0.230 158 R C 2.658 178.978 176.300 0.033 0.000 1.111 158 R CA 3.868 60.010 56.100 0.070 0.000 0.976 158 R CB -0.093 30.240 30.300 0.054 0.000 0.870 158 R HN 0.058 8.412 8.270 0.139 0.000 0.445 159 T N 2.306 116.874 114.554 0.023 0.000 2.770 159 T HA -0.117 nan 4.350 nan 0.000 0.263 159 T C 2.000 176.660 174.700 -0.065 0.000 1.039 159 T CA 4.748 66.836 62.100 -0.021 0.000 1.142 159 T CB -0.367 68.491 68.868 -0.017 0.000 0.868 159 T HN 0.033 8.301 8.240 0.046 0.000 0.435 160 T N 4.814 119.321 114.554 -0.079 0.000 2.737 160 T HA -0.217 nan 4.350 nan 0.000 0.265 160 T C 1.811 176.266 174.700 -0.407 0.000 1.038 160 T CA 5.003 66.952 62.100 -0.253 0.000 1.144 160 T CB -0.297 68.379 68.868 -0.321 0.000 0.866 160 T HN -0.181 8.052 8.240 -0.012 0.000 0.434 161 Y N -0.740 119.523 120.300 -0.061 0.000 2.475 161 Y HA -0.133 nan 4.550 nan 0.000 0.289 161 Y C 1.952 177.790 175.900 -0.103 0.000 1.121 161 Y CA 3.490 61.547 58.100 -0.071 0.000 1.257 161 Y CB 0.009 38.433 38.460 -0.059 0.000 1.026 161 Y HN 0.006 8.324 8.280 0.063 0.000 0.555 162 V N -2.464 117.410 119.914 -0.066 0.000 2.343 162 V HA -0.354 nan 4.120 nan 0.000 0.247 162 V C 1.556 177.522 176.094 -0.213 0.000 1.051 162 V CA 4.021 66.233 62.300 -0.147 0.000 1.036 162 V CB -1.615 30.082 31.823 -0.210 0.000 0.654 162 V HN -0.446 7.715 8.190 -0.048 0.000 0.451 163 V N 1.025 120.799 119.914 -0.234 0.000 2.323 163 V HA -0.353 nan 4.120 nan 0.000 0.244 163 V C 1.958 177.944 176.094 -0.180 0.000 1.041 163 V CA 4.041 66.198 62.300 -0.239 0.000 1.025 163 V CB -1.038 30.671 31.823 -0.190 0.000 0.656 163 V HN -0.587 7.476 8.190 -0.212 0.000 0.451 164 K N -0.792 119.496 120.400 -0.186 0.000 2.074 164 K HA -0.438 nan 4.320 nan 0.000 0.209 164 K C 2.091 178.637 176.600 -0.089 0.000 1.048 164 K CA 3.870 60.065 56.287 -0.152 0.000 0.926 164 K CB -0.381 31.980 32.500 -0.232 0.000 0.713 164 K HN -0.378 7.733 8.250 -0.232 0.000 0.444 165 E N -0.500 119.659 120.200 -0.069 0.000 2.047 165 E HA -0.225 nan 4.350 nan 0.000 0.191 165 E C 2.422 178.977 176.600 -0.075 0.000 0.987 165 E CA 2.528 58.901 56.400 -0.044 0.000 0.799 165 E CB -0.499 29.182 29.700 -0.031 0.000 0.752 165 E HN -0.417 7.898 8.360 -0.075 0.000 0.449 166 L N -1.264 119.885 121.223 -0.124 0.000 2.042 166 L HA -0.486 nan 4.340 nan 0.000 0.210 166 L C 2.245 179.051 176.870 -0.107 0.000 1.076 166 L CA 3.501 58.256 54.840 -0.142 0.000 0.749 166 L CB -0.449 41.474 42.059 -0.227 0.000 0.893 166 L HN -0.436 7.704 8.230 -0.151 0.000 0.432 167 N N -0.144 118.495 118.700 -0.102 0.000 2.120 167 N HA -0.356 nan 4.740 nan 0.000 0.188 167 N C 2.582 178.064 175.510 -0.048 0.000 1.024 167 N CA 3.093 56.099 53.050 -0.074 0.000 0.852 167 N CB -0.135 38.308 38.487 -0.073 0.000 1.003 167 N HN 0.060 8.369 8.380 -0.118 0.000 0.424 168 D N 0.979 121.353 120.400 -0.043 0.000 2.178 168 D HA -0.142 nan 4.640 nan 0.000 0.201 168 D C 1.348 177.637 176.300 -0.017 0.000 0.980 168 D CA 2.597 56.583 54.000 -0.024 0.000 0.842 168 D CB -0.283 40.509 40.800 -0.014 0.000 0.948 168 D HN 0.055 8.393 8.370 -0.053 0.000 0.472 169 K N -3.172 117.214 120.400 -0.025 0.000 2.546 169 K HA 0.023 nan 4.320 nan 0.000 0.198 169 K C 0.501 177.098 176.600 -0.005 0.000 1.028 169 K CA -0.469 55.811 56.287 -0.013 0.000 1.150 169 K CB -0.354 32.136 32.500 -0.017 0.000 0.876 169 K HN -0.300 7.810 8.250 -0.039 0.116 0.508 170 G N -1.413 107.381 108.800 -0.010 0.000 2.195 170 G HA2 -0.403 nan 3.960 nan 0.000 0.246 170 G HA3 -0.403 nan 3.960 nan 0.000 0.246 170 G C -0.605 174.294 174.900 -0.001 0.000 0.984 170 G CA 0.300 45.401 45.100 0.002 0.000 0.633 170 G HN 0.027 8.098 8.290 -0.019 0.207 0.525 171 I N 2.430 122.982 120.570 -0.031 0.000 2.307 171 I HA -0.041 nan 4.170 nan 0.000 0.289 171 I C -0.956 175.103 176.117 -0.097 0.000 1.021 171 I CA -0.471 60.792 61.300 -0.061 0.000 1.224 171 I CB -0.030 37.890 38.000 -0.133 0.000 1.376 171 I HN -0.184 7.955 8.210 -0.045 0.044 0.470 172 Q N 7.187 126.951 119.800 -0.060 0.000 2.354 172 Q HA 0.089 nan 4.340 nan 0.000 0.244 172 Q C -0.637 175.311 176.000 -0.087 0.000 0.969 172 Q CA 0.405 56.175 55.803 -0.055 0.000 0.885 172 Q CB 1.677 30.405 28.738 -0.017 0.000 1.241 172 Q HN 0.263 8.521 8.270 -0.021 0.000 0.461 173 T N -3.450 111.074 114.554 -0.050 0.000 2.903 173 T HA 0.700 nan 4.350 nan 0.000 0.299 173 T C -1.968 172.755 174.700 0.039 0.000 1.093 173 T CA -2.237 59.866 62.100 0.005 0.000 1.002 173 T CB 3.047 71.929 68.868 0.022 0.000 1.127 173 T HN 0.123 8.344 8.240 -0.032 0.000 0.488 174 E N -0.198 120.019 120.200 0.028 0.000 2.260 174 E HA 0.288 nan 4.350 nan 0.000 0.266 174 E C -2.206 174.174 176.600 -0.367 0.000 0.887 174 E CA -1.281 55.055 56.400 -0.106 0.000 0.777 174 E CB 3.386 33.029 29.700 -0.095 0.000 1.205 174 E HN 0.625 9.038 8.360 0.088 0.000 0.414 175 Q N 6.586 126.093 119.800 -0.488 0.000 2.314 175 Q HA 0.172 nan 4.340 nan 0.000 0.257 175 Q C -0.816 174.829 176.000 -0.591 0.000 0.975 175 Q CA 0.002 55.249 55.803 -0.927 0.000 0.933 175 Q CB 0.576 28.969 28.738 -0.575 0.000 1.195 175 Q HN 0.443 8.542 8.270 -0.285 0.000 0.426 176 L N 6.788 127.615 121.223 -0.659 0.000 2.162 176 L HA 0.103 nan 4.340 nan 0.000 0.205 176 L C -0.381 176.191 176.870 -0.496 0.000 1.086 176 L CA 1.007 55.567 54.840 -0.467 0.000 0.778 176 L CB 0.955 42.759 42.059 -0.425 0.000 0.928 176 L HN 0.982 8.693 8.230 -0.865 0.000 0.446 177 A N -4.538 117.903 122.820 -0.630 0.000 2.590 177 A HA 0.196 nan 4.320 nan 0.000 0.296 177 A C -2.817 174.444 177.584 -0.539 0.000 1.050 177 A CA -0.127 51.544 52.037 -0.610 0.000 0.697 177 A CB 2.868 21.239 19.000 -1.049 0.000 1.277 177 A HN -0.671 7.053 8.150 -0.710 0.000 0.411 178 L N -0.198 120.905 121.223 -0.201 0.000 2.455 178 L HA 0.795 nan 4.340 nan 0.000 0.264 178 L C -1.725 175.252 176.870 0.179 0.000 0.968 178 L CA -0.229 54.615 54.840 0.008 0.000 0.827 178 L CB 2.933 44.983 42.059 -0.015 0.000 1.317 178 L HN 0.160 8.321 8.230 -0.116 0.000 0.407 179 D N 3.333 123.899 120.400 0.277 0.000 2.648 179 D HA 0.229 nan 4.640 nan 0.000 0.244 179 D C -1.780 174.565 176.300 0.076 0.000 1.244 179 D CA -0.652 53.450 54.000 0.171 0.000 0.772 179 D CB 4.295 45.223 40.800 0.213 0.000 1.379 179 D HN 0.184 8.756 8.370 0.337 0.000 0.428 180 T N -2.493 112.054 114.554 -0.013 0.000 2.869 180 T HA 0.494 nan 4.350 nan 0.000 0.295 180 T C -0.441 174.202 174.700 -0.094 0.000 0.987 180 T CA -0.929 61.122 62.100 -0.083 0.000 1.109 180 T CB 1.208 70.008 68.868 -0.114 0.000 0.932 180 T HN -0.006 8.227 8.240 -0.011 0.000 0.518 181 A N 2.877 125.628 122.820 -0.115 0.000 2.589 181 A HA 0.427 nan 4.320 nan 0.000 0.283 181 A C -0.756 176.779 177.584 -0.081 0.000 1.187 181 A CA -1.143 50.838 52.037 -0.094 0.000 0.957 181 A CB 1.160 20.110 19.000 -0.082 0.000 1.175 181 A HN 0.579 8.645 8.150 -0.139 0.000 0.532 182 M N -2.442 117.059 119.600 -0.165 0.000 2.206 182 M HA -0.557 nan 4.480 nan 0.000 0.197 182 M C -1.074 175.238 176.300 0.020 0.000 0.375 182 M CA 1.179 56.371 55.300 -0.180 0.000 0.410 182 M CB -2.830 29.737 32.600 -0.054 0.000 1.204 182 M HN -0.455 7.638 8.290 -0.220 0.066 0.932 183 W N -8.603 112.704 121.300 0.013 0.000 3.207 183 W HA -0.450 nan 4.660 nan 0.000 0.291 183 W C -1.507 175.034 176.519 0.038 0.000 1.105 183 W CA -0.092 57.267 57.345 0.022 0.000 0.612 183 W CB -1.867 27.618 29.460 0.042 0.000 2.140 183 W HN -0.357 7.696 8.180 -0.211 0.000 1.420 184 D N -1.823 118.689 120.400 0.187 0.000 2.217 184 D HA 0.289 nan 4.640 nan 0.000 0.243 184 D C 0.652 176.994 176.300 0.071 0.000 1.054 184 D CA -1.285 52.788 54.000 0.122 0.000 0.838 184 D CB 2.602 43.455 40.800 0.090 0.000 1.162 184 D HN -0.515 7.766 8.370 0.119 0.160 0.472 185 T N 7.123 121.716 114.554 0.066 0.000 2.607 185 T HA -0.314 nan 4.350 nan 0.000 0.267 185 T C 1.445 176.154 174.700 0.015 0.000 1.049 185 T CA 5.229 67.353 62.100 0.040 0.000 1.162 185 T CB -0.153 68.740 68.868 0.041 0.000 0.863 185 T HN 0.677 8.964 8.240 0.078 0.000 0.424 186 A N 0.191 123.018 122.820 0.012 0.000 1.933 186 A HA -0.232 nan 4.320 nan 0.000 0.218 186 A C 2.248 179.817 177.584 -0.025 0.000 1.175 186 A CA 2.842 54.876 52.037 -0.005 0.000 0.628 186 A CB -0.800 18.200 19.000 -0.000 0.000 0.814 186 A HN 0.138 8.359 8.150 0.022 -0.058 0.444 187 Q N -1.457 118.328 119.800 -0.025 0.000 2.172 187 Q HA -0.281 nan 4.340 nan 0.000 0.200 187 Q C 2.478 178.421 176.000 -0.095 0.000 0.964 187 Q CA 2.764 58.534 55.803 -0.055 0.000 0.855 187 Q CB 0.101 28.813 28.738 -0.044 0.000 0.918 187 Q HN -0.352 8.115 8.270 -0.005 -0.200 0.444 188 A N 0.276 123.053 122.820 -0.071 0.000 1.929 188 A HA -0.240 nan 4.320 nan 0.000 0.216 188 A C 1.400 178.914 177.584 -0.116 0.000 1.176 188 A CA 3.030 55.008 52.037 -0.099 0.000 0.628 188 A CB -0.786 18.195 19.000 -0.032 0.000 0.816 188 A HN -0.018 8.112 8.150 -0.033 0.000 0.444 189 K N -0.942 119.416 120.400 -0.069 0.000 2.044 189 K HA -0.425 nan 4.320 nan 0.000 0.210 189 K C 1.890 178.433 176.600 -0.095 0.000 1.049 189 K CA 3.698 59.950 56.287 -0.059 0.000 0.927 189 K CB -0.190 32.294 32.500 -0.026 0.000 0.713 189 K HN 0.052 8.275 8.250 -0.044 0.000 0.443 190 D N -1.242 119.092 120.400 -0.110 0.000 2.117 190 D HA -0.255 nan 4.640 nan 0.000 0.197 190 D C 2.571 178.729 176.300 -0.237 0.000 0.987 190 D CA 3.575 57.495 54.000 -0.133 0.000 0.829 190 D CB -0.358 40.373 40.800 -0.116 0.000 0.961 190 D HN -0.413 7.902 8.370 -0.091 0.000 0.460 191 K N -0.096 120.095 120.400 -0.348 0.000 2.057 191 K HA -0.176 nan 4.320 nan 0.000 0.206 191 K C 2.224 178.287 176.600 -0.894 0.000 1.050 191 K CA 2.172 58.056 56.287 -0.671 0.000 0.935 191 K CB -0.173 31.924 32.500 -0.671 0.000 0.715 191 K HN -0.608 7.475 8.250 -0.279 0.000 0.439 192 M N -0.125 119.164 119.600 -0.517 0.000 2.099 192 M HA -0.364 nan 4.480 nan 0.000 0.262 192 M C 1.484 177.685 176.300 -0.165 0.000 1.067 192 M CA 2.751 57.911 55.300 -0.232 0.000 1.124 192 M CB -0.398 32.160 32.600 -0.070 0.000 1.353 192 M HN 0.107 8.171 8.290 -0.376 0.000 0.410 193 D N -0.382 119.933 120.400 -0.141 0.000 2.133 193 D HA -0.399 nan 4.640 nan 0.000 0.192 193 D C 2.173 178.440 176.300 -0.055 0.000 1.001 193 D CA 3.816 57.787 54.000 -0.048 0.000 0.844 193 D CB -0.091 40.731 40.800 0.036 0.000 0.944 193 D HN -0.036 8.253 8.370 -0.134 0.000 0.447 194 A N -0.642 122.102 122.820 -0.126 0.000 1.908 194 A HA -0.197 nan 4.320 nan 0.000 0.218 194 A C 2.799 180.400 177.584 0.028 0.000 1.181 194 A CA 2.760 54.744 52.037 -0.089 0.000 0.627 194 A CB -0.754 18.133 19.000 -0.189 0.000 0.818 194 A HN -0.175 7.855 8.150 -0.199 0.000 0.445 195 W N -2.422 118.837 121.300 -0.068 0.000 2.388 195 W HA -0.154 nan 4.660 nan 0.000 0.294 195 W C 2.467 178.925 176.519 -0.103 0.000 1.212 195 W CA 1.562 58.860 57.345 -0.078 0.000 1.271 195 W CB -0.529 28.883 29.460 -0.081 0.000 1.126 195 W HN -0.311 7.672 8.180 -0.191 0.082 0.535 196 L N -3.108 118.136 121.223 0.035 0.000 2.465 196 L HA -0.293 nan 4.340 nan 0.000 0.224 196 L C 1.256 178.108 176.870 -0.029 0.000 1.145 196 L CA 2.064 56.811 54.840 -0.155 0.000 0.834 196 L CB -0.719 40.928 42.059 -0.686 0.000 0.944 196 L HN 0.120 8.351 8.230 0.001 0.000 0.451 197 S N -3.032 112.705 115.700 0.061 0.000 2.539 197 S HA 0.025 nan 4.470 nan 0.000 0.221 197 S C -0.369 174.280 174.600 0.082 0.000 0.987 197 S CA 0.302 58.571 58.200 0.115 0.000 0.929 197 S CB 0.459 63.737 63.200 0.131 0.000 0.832 197 S HN -0.518 7.652 8.310 0.049 0.170 0.492 198 G N 1.172 110.021 108.800 0.082 0.000 2.705 198 G HA2 0.454 nan 3.960 nan 0.000 0.299 198 G HA3 0.454 nan 3.960 nan 0.000 0.299 198 G C -2.084 172.844 174.900 0.046 0.000 1.315 198 G CA -2.000 43.142 45.100 0.071 0.000 1.045 198 G HN -0.700 7.470 8.290 0.090 0.174 0.517 199 P HA -0.181 nan 4.420 nan 0.000 0.218 199 P C -0.749 176.548 177.300 -0.005 0.000 1.146 199 P CA 1.684 64.790 63.100 0.010 0.000 0.813 199 P CB 0.286 31.988 31.700 0.002 0.000 0.778 200 N N -6.022 112.666 118.700 -0.019 0.000 2.480 200 N HA 0.140 nan 4.740 nan 0.000 0.281 200 N C 0.519 176.007 175.510 -0.037 0.000 1.381 200 N CA -1.132 51.894 53.050 -0.041 0.000 0.903 200 N CB -0.080 38.357 38.487 -0.082 0.000 1.274 200 N HN -0.264 8.107 8.380 -0.014 0.000 0.505 201 A N 2.066 124.882 122.820 -0.006 0.000 1.940 201 A HA -0.326 nan 4.320 nan 0.000 0.219 201 A C 0.922 178.504 177.584 -0.003 0.000 1.176 201 A CA 3.199 55.236 52.037 -0.001 0.000 0.631 201 A CB -0.343 18.668 19.000 0.017 0.000 0.814 201 A HN -0.417 7.670 8.150 0.007 0.068 0.446 202 N N -5.664 113.038 118.700 0.003 0.000 2.515 202 N HA -0.140 nan 4.740 nan 0.000 0.185 202 N C 0.671 176.185 175.510 0.007 0.000 1.109 202 N CA 1.525 54.581 53.050 0.010 0.000 0.903 202 N CB -0.714 37.782 38.487 0.016 0.000 0.969 202 N HN 0.429 8.790 8.380 0.003 0.021 0.450 203 K N -1.921 118.473 120.400 -0.010 0.000 2.360 203 K HA 0.106 nan 4.320 nan 0.000 0.196 203 K C -0.443 176.147 176.600 -0.017 0.000 1.049 203 K CA -0.628 55.652 56.287 -0.011 0.000 1.049 203 K CB 1.270 33.750 32.500 -0.033 0.000 0.881 203 K HN -0.607 7.441 8.250 -0.023 0.187 0.542 204 I N 1.154 121.704 120.570 -0.032 0.000 2.517 204 I HA -0.378 nan 4.170 nan 0.000 0.285 204 I C -0.501 175.619 176.117 0.005 0.000 1.106 204 I CA 1.390 62.665 61.300 -0.042 0.000 1.402 204 I CB -0.089 37.878 38.000 -0.055 0.000 1.399 204 I HN -0.934 7.209 8.210 -0.028 0.050 0.535 205 E N 6.605 126.826 120.200 0.035 0.000 2.399 205 E HA 0.108 nan 4.350 nan 0.000 0.205 205 E C -0.503 176.120 176.600 0.037 0.000 0.906 205 E CA 0.404 56.858 56.400 0.090 0.000 0.998 205 E CB 1.766 31.613 29.700 0.245 0.000 1.002 205 E HN 0.245 8.619 8.360 0.023 0.000 0.501 206 V N -0.029 119.909 119.914 0.040 0.000 2.686 206 V HA 0.211 nan 4.120 nan 0.000 0.306 206 V C -2.047 174.086 176.094 0.066 0.000 1.065 206 V CA -0.650 61.669 62.300 0.031 0.000 0.894 206 V CB 3.588 35.440 31.823 0.050 0.000 1.004 206 V HN -0.701 7.519 8.190 0.050 0.000 0.424 207 V N 6.733 126.687 119.914 0.067 0.000 2.347 207 V HA 0.657 nan 4.120 nan 0.000 0.280 207 V C -1.153 175.027 176.094 0.143 0.000 1.021 207 V CA -1.246 61.115 62.300 0.101 0.000 0.847 207 V CB 0.557 32.428 31.823 0.080 0.000 0.990 207 V HN 0.527 8.738 8.190 0.036 0.000 0.444 208 I N 7.727 128.374 120.570 0.127 0.000 2.354 208 I HA 0.693 nan 4.170 nan 0.000 0.292 208 I C -2.130 174.047 176.117 0.100 0.000 0.989 208 I CA -1.079 60.274 61.300 0.088 0.000 1.188 208 I CB 1.988 39.953 38.000 -0.059 0.000 1.342 208 I HN 0.625 8.922 8.210 0.146 0.000 0.457 209 A N 6.646 129.527 122.820 0.102 0.000 2.374 209 A HA 0.508 nan 4.320 nan 0.000 0.317 209 A C -1.085 176.549 177.584 0.084 0.000 1.094 209 A CA -1.857 50.236 52.037 0.094 0.000 0.765 209 A CB 1.833 20.894 19.000 0.102 0.000 1.268 209 A HN 0.455 8.677 8.150 0.120 0.000 0.438 210 N N 0.509 119.257 118.700 0.081 0.000 2.459 210 N HA -0.322 nan 4.740 nan 0.000 0.181 210 N C -1.221 174.425 175.510 0.228 0.000 1.046 210 N CA 2.255 55.378 53.050 0.122 0.000 0.904 210 N CB 0.480 39.013 38.487 0.075 0.000 0.964 210 N HN 0.552 8.967 8.380 0.057 0.000 0.444 211 N N -4.041 114.793 118.700 0.224 0.000 3.039 211 N HA 0.195 nan 4.740 nan 0.000 0.257 211 N C -0.970 174.620 175.510 0.133 0.000 1.497 211 N CA -0.628 52.536 53.050 0.190 0.000 0.861 211 N CB 2.089 40.746 38.487 0.284 0.000 1.479 211 N HN -0.840 7.629 8.380 0.182 0.021 0.547 212 D N 0.133 120.592 120.400 0.099 0.000 2.162 212 D HA -0.072 nan 4.640 nan 0.000 0.203 212 D C 1.150 177.502 176.300 0.086 0.000 0.967 212 D CA 3.578 57.626 54.000 0.080 0.000 0.840 212 D CB -0.081 40.759 40.800 0.066 0.000 0.972 212 D HN 0.015 8.437 8.370 0.085 0.000 0.482 213 A N -0.224 122.661 122.820 0.109 0.000 1.883 213 A HA -0.244 nan 4.320 nan 0.000 0.217 213 A C 2.594 180.233 177.584 0.091 0.000 1.186 213 A CA 3.016 55.114 52.037 0.102 0.000 0.624 213 A CB -0.703 18.374 19.000 0.129 0.000 0.822 213 A HN 0.161 8.386 8.150 0.125 0.000 0.444 214 M N -1.580 118.086 119.600 0.110 0.000 2.117 214 M HA -0.426 nan 4.480 nan 0.000 0.262 214 M C 1.940 178.277 176.300 0.061 0.000 1.065 214 M CA 3.702 59.049 55.300 0.079 0.000 1.114 214 M CB -0.151 32.500 32.600 0.085 0.000 1.361 214 M HN -0.316 8.369 8.290 0.150 -0.306 0.408 215 A N -0.106 122.755 122.820 0.069 0.000 1.883 215 A HA -0.377 nan 4.320 nan 0.000 0.217 215 A C 2.051 179.654 177.584 0.032 0.000 1.186 215 A CA 3.165 55.232 52.037 0.051 0.000 0.624 215 A CB -0.970 18.058 19.000 0.046 0.000 0.822 215 A HN -0.445 7.697 8.150 0.085 0.059 0.444 216 M N -3.676 115.944 119.600 0.034 0.000 2.213 216 M HA -0.382 nan 4.480 nan 0.000 0.263 216 M C 2.348 178.661 176.300 0.021 0.000 1.062 216 M CA 3.586 58.901 55.300 0.025 0.000 1.105 216 M CB -0.244 32.374 32.600 0.030 0.000 1.385 216 M HN 0.338 8.655 8.290 0.045 0.000 0.417 217 G N -1.576 107.238 108.800 0.023 0.000 2.402 217 G HA2 -0.285 nan 3.960 nan 0.000 0.216 217 G HA3 -0.285 nan 3.960 nan 0.000 0.216 217 G C 0.437 175.340 174.900 0.005 0.000 1.162 217 G CA 1.607 46.713 45.100 0.011 0.000 0.777 217 G HN -0.724 7.457 8.290 0.032 0.129 0.539 218 A N 1.520 124.347 122.820 0.013 0.000 1.930 218 A HA -0.130 nan 4.320 nan 0.000 0.217 218 A C 2.048 179.641 177.584 0.015 0.000 1.175 218 A CA 2.977 55.025 52.037 0.018 0.000 0.627 218 A CB -0.661 18.369 19.000 0.049 0.000 0.815 218 A HN -0.026 8.137 8.150 0.022 0.000 0.443 219 V N -1.878 118.042 119.914 0.010 0.000 2.469 219 V HA -0.452 nan 4.120 nan 0.000 0.251 219 V C 1.581 177.683 176.094 0.014 0.000 1.064 219 V CA 4.612 66.914 62.300 0.003 0.000 1.066 219 V CB -0.877 30.943 31.823 -0.004 0.000 0.667 219 V HN 0.527 8.724 8.190 0.012 0.000 0.461 220 E N -1.515 118.696 120.200 0.019 0.000 2.400 220 E HA -0.131 nan 4.350 nan 0.000 0.195 220 E C 2.014 178.641 176.600 0.046 0.000 1.012 220 E CA 2.048 58.464 56.400 0.027 0.000 0.875 220 E CB -0.528 29.184 29.700 0.020 0.000 0.859 220 E HN -0.579 7.674 8.360 0.016 0.116 0.498 221 A N 0.991 123.837 122.820 0.044 0.000 1.897 221 A HA -0.159 nan 4.320 nan 0.000 0.215 221 A C 1.784 179.439 177.584 0.120 0.000 1.181 221 A CA 2.918 55.005 52.037 0.083 0.000 0.620 221 A CB -0.563 18.446 19.000 0.016 0.000 0.821 221 A HN -0.172 7.993 8.150 0.024 0.000 0.443 222 L N -2.289 118.963 121.223 0.048 0.000 1.994 222 L HA -0.463 nan 4.340 nan 0.000 0.208 222 L C 2.063 178.978 176.870 0.074 0.000 1.071 222 L CA 3.087 57.950 54.840 0.038 0.000 0.745 222 L CB -0.070 41.995 42.059 0.011 0.000 0.892 222 L HN 0.365 8.613 8.230 0.029 0.000 0.431 223 K N -1.819 118.615 120.400 0.058 0.000 2.211 223 K HA -0.261 nan 4.320 nan 0.000 0.203 223 K C 2.512 179.153 176.600 0.069 0.000 1.050 223 K CA 2.918 59.237 56.287 0.053 0.000 0.945 223 K CB -0.570 31.949 32.500 0.031 0.000 0.732 223 K HN -0.016 8.259 8.250 0.042 0.000 0.451 224 A N 0.672 123.547 122.820 0.091 0.000 1.978 224 A HA -0.201 nan 4.320 nan 0.000 0.220 224 A C 1.359 178.952 177.584 0.015 0.000 1.170 224 A CA 2.533 54.603 52.037 0.056 0.000 0.636 224 A CB -0.833 18.207 19.000 0.066 0.000 0.810 224 A HN -0.153 8.056 8.150 0.098 0.000 0.448 225 H N -4.223 114.852 119.070 0.009 0.000 2.524 225 H HA 0.073 nan 4.556 nan 0.000 0.280 225 H C -0.816 174.520 175.328 0.012 0.000 1.018 225 H CA -0.524 55.532 56.048 0.012 0.000 1.165 225 H CB -0.252 29.521 29.762 0.019 0.000 1.411 225 H HN -0.483 7.972 8.280 0.330 0.023 0.569 226 N N -2.153 116.607 118.700 0.100 0.000 2.727 226 N HA -0.380 nan 4.740 nan 0.000 0.249 226 N C -0.645 174.904 175.510 0.066 0.000 1.048 226 N CA 1.674 54.762 53.050 0.063 0.000 0.714 226 N CB -1.000 37.511 38.487 0.041 0.000 0.959 226 N HN 0.058 8.281 8.380 0.083 0.207 0.544 227 K N -2.049 118.396 120.400 0.075 0.000 2.832 227 K HA 0.270 nan 4.320 nan 0.000 0.211 227 K C 0.102 176.716 176.600 0.023 0.000 1.112 227 K CA -1.714 54.602 56.287 0.048 0.000 1.108 227 K CB 0.132 32.660 32.500 0.046 0.000 0.899 227 K HN -0.066 8.222 8.250 0.094 0.018 0.464 228 S N -0.904 114.812 115.700 0.025 0.000 2.537 228 S HA -0.165 nan 4.470 nan 0.000 0.240 228 S C 0.747 175.348 174.600 0.002 0.000 0.981 228 S CA 2.018 60.225 58.200 0.012 0.000 0.948 228 S CB -0.639 62.572 63.200 0.019 0.000 0.759 228 S HN 0.180 8.410 8.310 0.034 0.101 0.531 229 S N 0.437 116.140 115.700 0.006 0.000 2.593 229 S HA 0.064 nan 4.470 nan 0.000 0.217 229 S C -0.514 174.052 174.600 -0.056 0.000 0.966 229 S CA 0.611 58.814 58.200 0.005 0.000 0.914 229 S CB 0.561 63.783 63.200 0.037 0.000 0.776 229 S HN -0.171 8.092 8.310 0.015 0.056 0.523 230 I N 3.390 123.909 120.570 -0.084 0.000 2.471 230 I HA 0.122 nan 4.170 nan 0.000 0.286 230 I C -1.754 174.217 176.117 -0.243 0.000 1.079 230 I CA -3.771 57.436 61.300 -0.155 0.000 1.398 230 I CB -0.442 37.508 38.000 -0.083 0.000 1.403 230 I HN -0.809 7.315 8.210 -0.052 0.055 0.530 231 P HA 0.097 nan 4.420 nan 0.000 0.276 231 P C -2.003 175.088 177.300 -0.349 0.000 1.230 231 P CA -0.487 62.281 63.100 -0.555 0.000 0.776 231 P CB 0.545 31.580 31.700 -1.108 0.000 0.888 232 V N 1.800 121.492 119.914 -0.370 0.000 2.540 232 V HA 0.749 nan 4.120 nan 0.000 0.302 232 V C -1.012 174.888 176.094 -0.324 0.000 1.035 232 V CA -0.789 61.395 62.300 -0.192 0.000 0.873 232 V CB 2.281 34.036 31.823 -0.112 0.000 0.992 232 V HN 0.167 8.093 8.190 -0.439 0.000 0.428 233 F N 5.375 125.293 119.950 -0.053 0.000 2.508 233 F HA 0.797 nan 4.527 nan 0.000 0.325 233 F C -1.043 174.746 175.800 -0.018 0.000 1.090 233 F CA -1.919 56.059 58.000 -0.036 0.000 0.945 233 F CB 3.771 42.751 39.000 -0.033 0.000 1.156 233 F HN 0.685 9.144 8.300 0.265 0.000 0.463 234 G N 0.747 109.638 108.800 0.152 0.000 3.262 234 G HA2 0.554 nan 3.960 nan 0.000 0.229 234 G HA3 0.554 nan 3.960 nan 0.000 0.229 234 G C -2.443 172.502 174.900 0.074 0.000 1.280 234 G CA -1.652 43.508 45.100 0.099 0.000 0.951 234 G HN 0.089 8.463 8.290 0.140 0.000 0.589 235 V N -1.953 117.990 119.914 0.047 0.000 2.891 235 V HA 0.454 nan 4.120 nan 0.000 0.304 235 V C -1.979 174.112 176.094 -0.005 0.000 1.171 235 V CA -0.804 61.501 62.300 0.008 0.000 0.943 235 V CB 3.151 34.959 31.823 -0.025 0.000 1.037 235 V HN -0.218 8.033 8.190 0.059 -0.026 0.427 236 D N 2.549 122.943 120.400 -0.011 0.000 3.302 236 D HA -0.164 nan 4.640 nan 0.000 0.175 236 D C -0.479 175.852 176.300 0.052 0.000 0.619 236 D CA 1.477 55.462 54.000 -0.025 0.000 0.807 236 D CB 0.547 41.332 40.800 -0.026 0.000 1.521 236 D HN 1.163 9.436 8.370 0.010 0.103 0.525 237 A N -1.075 121.758 122.820 0.022 0.000 2.739 237 A HA -0.388 nan 4.320 nan 0.000 0.296 237 A C -0.456 177.164 177.584 0.060 0.000 1.488 237 A CA 1.037 53.071 52.037 -0.004 0.000 0.746 237 A CB -1.602 17.345 19.000 -0.088 0.000 1.047 237 A HN -0.448 7.805 8.150 0.011 -0.097 0.477 238 L N -1.724 119.547 121.223 0.080 0.000 2.461 238 L HA 0.088 nan 4.340 nan 0.000 0.272 238 L C -0.123 176.787 176.870 0.067 0.000 1.197 238 L CA -2.142 52.756 54.840 0.095 0.000 0.836 238 L CB -0.081 42.035 42.059 0.096 0.000 1.105 238 L HN -0.409 8.166 8.230 0.067 -0.304 0.477 239 P HA -0.302 nan 4.420 nan 0.000 0.217 239 P C 1.426 178.752 177.300 0.044 0.000 1.151 239 P CA 2.826 65.959 63.100 0.054 0.000 0.849 239 P CB 0.017 31.744 31.700 0.046 0.000 0.787 240 E N -2.269 117.955 120.200 0.040 0.000 2.152 240 E HA -0.163 nan 4.350 nan 0.000 0.192 240 E C 1.967 178.584 176.600 0.029 0.000 0.983 240 E CA 2.872 59.292 56.400 0.033 0.000 0.818 240 E CB -1.096 28.624 29.700 0.033 0.000 0.758 240 E HN 0.612 8.985 8.360 0.044 0.013 0.467 241 A N -0.428 122.411 122.820 0.032 0.000 1.975 241 A HA -0.033 nan 4.320 nan 0.000 0.215 241 A C 1.898 179.489 177.584 0.011 0.000 1.170 241 A CA 2.593 54.642 52.037 0.019 0.000 0.656 241 A CB -0.532 18.482 19.000 0.023 0.000 0.821 241 A HN -0.154 7.875 8.150 0.040 0.146 0.449 242 L N -1.704 119.532 121.223 0.022 0.000 2.131 242 L HA -0.436 nan 4.340 nan 0.000 0.210 242 L C 2.135 179.024 176.870 0.031 0.000 1.092 242 L CA 3.006 57.862 54.840 0.028 0.000 0.759 242 L CB -0.644 41.449 42.059 0.056 0.000 0.903 242 L HN 0.243 8.491 8.230 0.031 0.000 0.435 243 A N -0.402 122.436 122.820 0.029 0.000 1.873 243 A HA -0.289 nan 4.320 nan 0.000 0.215 243 A C 2.011 179.603 177.584 0.014 0.000 1.186 243 A CA 3.174 55.225 52.037 0.025 0.000 0.616 243 A CB -0.866 18.148 19.000 0.023 0.000 0.823 243 A HN -0.475 7.689 8.150 0.031 0.005 0.442 244 L N -2.785 118.441 121.223 0.006 0.000 2.093 244 L HA -0.353 nan 4.340 nan 0.000 0.208 244 L C 2.720 179.578 176.870 -0.020 0.000 1.085 244 L CA 2.760 57.595 54.840 -0.008 0.000 0.755 244 L CB -0.435 41.615 42.059 -0.015 0.000 0.904 244 L HN -0.607 7.562 8.230 0.009 0.066 0.435 245 V N 0.304 120.206 119.914 -0.020 0.000 2.427 245 V HA -0.476 nan 4.120 nan 0.000 0.248 245 V C 1.415 177.506 176.094 -0.004 0.000 1.051 245 V CA 4.365 66.647 62.300 -0.031 0.000 1.048 245 V CB -1.132 30.677 31.823 -0.023 0.000 0.666 245 V HN 0.423 8.533 8.190 -0.011 0.074 0.456 246 K N -1.151 119.258 120.400 0.014 0.000 2.057 246 K HA -0.337 nan 4.320 nan 0.000 0.207 246 K C 2.217 178.829 176.600 0.019 0.000 1.049 246 K CA 3.114 59.417 56.287 0.026 0.000 0.931 246 K CB 0.029 32.549 32.500 0.033 0.000 0.714 246 K HN 0.040 8.225 8.250 0.016 0.075 0.440 247 S N -4.103 111.604 115.700 0.011 0.000 2.562 247 S HA -0.063 nan 4.470 nan 0.000 0.221 247 S C 0.864 175.467 174.600 0.005 0.000 0.975 247 S CA 0.805 59.011 58.200 0.010 0.000 0.918 247 S CB 0.463 63.668 63.200 0.008 0.000 0.772 247 S HN -0.301 7.923 8.310 0.007 0.090 0.531 248 G N 1.385 110.182 108.800 -0.005 0.000 2.179 248 G HA2 -0.326 nan 3.960 nan 0.000 0.260 248 G HA3 -0.326 nan 3.960 nan 0.000 0.260 248 G C -0.053 174.825 174.900 -0.036 0.000 0.977 248 G CA 0.329 45.421 45.100 -0.014 0.000 0.641 248 G HN -0.717 7.374 8.290 -0.008 0.194 0.533 249 A N -0.454 122.345 122.820 -0.034 0.000 2.067 249 A HA -0.105 nan 4.320 nan 0.000 0.219 249 A C -0.063 177.467 177.584 -0.089 0.000 1.158 249 A CA 1.265 53.275 52.037 -0.046 0.000 0.661 249 A CB 0.336 19.321 19.000 -0.026 0.000 0.801 249 A HN -0.226 7.850 8.150 -0.023 0.060 0.452 250 M N -3.255 116.279 119.600 -0.110 0.000 2.528 250 M HA 0.058 nan 4.480 nan 0.000 0.321 250 M C -1.133 174.998 176.300 -0.283 0.000 1.153 250 M CA -0.571 54.615 55.300 -0.190 0.000 0.951 250 M CB 2.682 35.200 32.600 -0.138 0.000 1.705 250 M HN -0.810 7.312 8.290 -0.085 0.118 0.451 251 A N -0.752 121.739 122.820 -0.549 0.000 2.081 251 A HA 0.239 nan 4.320 nan 0.000 0.214 251 A C -0.795 176.436 177.584 -0.588 0.000 1.158 251 A CA 0.573 52.193 52.037 -0.695 0.000 0.724 251 A CB 1.629 19.927 19.000 -1.170 0.000 0.826 251 A HN 0.847 8.479 8.150 -0.683 0.108 0.463 252 G N -5.870 102.686 108.800 -0.407 0.000 2.519 252 G HA2 0.158 nan 3.960 nan 0.000 0.292 252 G HA3 0.158 nan 3.960 nan 0.000 0.292 252 G C -2.737 172.206 174.900 0.072 0.000 1.507 252 G CA 0.461 45.551 45.100 -0.017 0.000 0.806 252 G HN -0.916 7.081 8.290 -0.489 0.000 0.523 253 T N -1.433 113.155 114.554 0.057 0.000 2.838 253 T HA 0.523 nan 4.350 nan 0.000 0.292 253 T C -1.671 173.034 174.700 0.008 0.000 1.113 253 T CA -2.247 59.874 62.100 0.034 0.000 1.008 253 T CB 3.522 72.378 68.868 -0.019 0.000 1.259 253 T HN 0.590 8.854 8.240 0.039 0.000 0.520 254 V N 0.120 120.033 119.914 -0.003 0.000 2.378 254 V HA 0.739 nan 4.120 nan 0.000 0.288 254 V C -0.750 175.361 176.094 0.028 0.000 1.016 254 V CA -1.250 61.051 62.300 0.002 0.000 0.840 254 V CB 1.211 33.017 31.823 -0.028 0.000 0.994 254 V HN 0.334 8.528 8.190 0.006 0.000 0.431 255 L N 7.721 128.934 121.223 -0.018 0.000 2.584 255 L HA -0.093 nan 4.340 nan 0.000 0.272 255 L C -1.883 175.082 176.870 0.158 0.000 1.195 255 L CA 1.094 55.952 54.840 0.029 0.000 0.920 255 L CB 0.451 42.505 42.059 -0.007 0.000 1.173 255 L HN 0.651 8.822 8.230 -0.099 0.000 0.489 256 N N 7.814 126.579 118.700 0.108 0.000 2.469 256 N HA 0.045 nan 4.740 nan 0.000 0.253 256 N C -1.602 173.991 175.510 0.139 0.000 0.970 256 N CA -1.171 51.867 53.050 -0.021 0.000 0.940 256 N CB 1.299 39.580 38.487 -0.343 0.000 1.128 256 N HN -0.142 8.197 8.380 0.100 0.101 0.503 257 D N 7.599 128.035 120.400 0.061 0.000 2.498 257 D HA -0.018 nan 4.640 nan 0.000 0.229 257 D C -0.042 176.363 176.300 0.174 0.000 1.188 257 D CA -1.159 52.918 54.000 0.129 0.000 1.028 257 D CB -0.247 40.593 40.800 0.067 0.000 1.087 257 D HN 0.435 8.739 8.370 -0.110 0.000 0.510 258 A N 5.327 128.296 122.820 0.249 0.000 1.948 258 A HA -0.411 nan 4.320 nan 0.000 0.220 258 A C 1.846 179.428 177.584 -0.004 0.000 1.177 258 A CA 3.194 55.267 52.037 0.060 0.000 0.636 258 A CB -0.211 18.707 19.000 -0.136 0.000 0.815 258 A HN 0.394 8.712 8.150 0.354 0.045 0.449 259 N N -2.243 116.475 118.700 0.030 0.000 2.188 259 N HA -0.203 nan 4.740 nan 0.000 0.184 259 N C 2.076 177.610 175.510 0.040 0.000 1.018 259 N CA 2.843 55.903 53.050 0.016 0.000 0.858 259 N CB -0.256 38.252 38.487 0.036 0.000 0.989 259 N HN 0.063 8.482 8.380 0.065 0.000 0.426 260 N N 0.451 119.202 118.700 0.084 0.000 2.416 260 N HA -0.048 nan 4.740 nan 0.000 0.177 260 N C 2.046 177.530 175.510 -0.044 0.000 1.036 260 N CA 2.591 55.735 53.050 0.156 0.000 0.901 260 N CB 0.357 39.014 38.487 0.283 0.000 0.976 260 N HN -0.359 8.330 8.380 0.086 -0.258 0.444 261 Q N 1.022 120.775 119.800 -0.077 0.000 2.137 261 Q HA -0.156 nan 4.340 nan 0.000 0.198 261 Q C 1.846 177.704 176.000 -0.237 0.000 0.960 261 Q CA 3.441 59.138 55.803 -0.177 0.000 0.847 261 Q CB 0.086 28.795 28.738 -0.048 0.000 0.915 261 Q HN -0.279 7.986 8.270 -0.008 0.000 0.448 262 A N 0.119 122.839 122.820 -0.168 0.000 1.930 262 A HA -0.246 nan 4.320 nan 0.000 0.217 262 A C 1.991 179.481 177.584 -0.158 0.000 1.175 262 A CA 3.186 55.101 52.037 -0.203 0.000 0.627 262 A CB -0.773 18.136 19.000 -0.152 0.000 0.815 262 A HN -0.037 8.051 8.150 -0.103 0.000 0.443 263 K N -1.116 119.233 120.400 -0.084 0.000 2.001 263 K HA -0.255 nan 4.320 nan 0.000 0.208 263 K C 2.018 178.567 176.600 -0.086 0.000 1.048 263 K CA 2.362 58.678 56.287 0.047 0.000 0.932 263 K CB -0.119 32.516 32.500 0.225 0.000 0.715 263 K HN -0.378 7.836 8.250 -0.060 0.000 0.437 264 A N -1.905 120.554 122.820 -0.602 0.000 1.917 264 A HA -0.304 nan 4.320 nan 0.000 0.219 264 A C 2.226 179.426 177.584 -0.640 0.000 1.182 264 A CA 3.507 54.804 52.037 -1.234 0.000 0.633 264 A CB -0.789 17.202 19.000 -1.681 0.000 0.819 264 A HN 0.259 7.927 8.150 -0.621 0.109 0.448 265 T N 2.113 116.381 114.554 -0.477 0.000 2.720 265 T HA -0.318 nan 4.350 nan 0.000 0.268 265 T C 1.713 176.224 174.700 -0.314 0.000 1.037 265 T CA 4.911 66.753 62.100 -0.430 0.000 1.144 265 T CB -0.505 67.953 68.868 -0.683 0.000 0.864 265 T HN -0.341 7.612 8.240 -0.478 0.000 0.444 266 F N 1.775 121.539 119.950 -0.310 0.000 2.128 266 F HA -0.385 nan 4.527 nan 0.000 0.295 266 F C 0.660 176.375 175.800 -0.143 0.000 1.100 266 F CA 3.982 61.862 58.000 -0.201 0.000 1.260 266 F CB 0.478 39.387 39.000 -0.152 0.000 1.009 266 F HN -0.676 7.475 8.300 -0.072 0.106 0.476 267 D N 0.176 120.501 120.400 -0.125 0.000 2.117 267 D HA -0.265 nan 4.640 nan 0.000 0.197 267 D C 2.851 179.029 176.300 -0.203 0.000 0.987 267 D CA 3.730 57.673 54.000 -0.094 0.000 0.829 267 D CB -0.378 40.541 40.800 0.198 0.000 0.961 267 D HN 0.091 8.478 8.370 0.028 0.000 0.460 268 L N -1.508 119.556 121.223 -0.264 0.000 2.072 268 L HA -0.242 nan 4.340 nan 0.000 0.205 268 L C 1.950 178.635 176.870 -0.309 0.000 1.079 268 L CA 2.930 57.594 54.840 -0.294 0.000 0.752 268 L CB -0.639 41.212 42.059 -0.346 0.000 0.906 268 L HN 0.083 8.130 8.230 -0.305 0.000 0.436 269 A N -0.655 121.976 122.820 -0.316 0.000 1.902 269 A HA -0.379 nan 4.320 nan 0.000 0.217 269 A C 1.754 179.157 177.584 -0.302 0.000 1.181 269 A CA 3.447 55.316 52.037 -0.281 0.000 0.623 269 A CB -0.959 17.876 19.000 -0.275 0.000 0.818 269 A HN 0.082 8.033 8.150 -0.331 0.000 0.443 270 K N -1.976 118.171 120.400 -0.422 0.000 2.097 270 K HA -0.363 nan 4.320 nan 0.000 0.205 270 K C 2.217 178.681 176.600 -0.228 0.000 1.050 270 K CA 3.376 59.444 56.287 -0.364 0.000 0.938 270 K CB -0.103 32.080 32.500 -0.528 0.000 0.718 270 K HN -0.038 7.881 8.250 -0.553 0.000 0.442 271 N N 0.240 118.812 118.700 -0.213 0.000 2.058 271 N HA -0.271 nan 4.740 nan 0.000 0.191 271 N C 2.502 177.926 175.510 -0.142 0.000 1.037 271 N CA 2.980 55.938 53.050 -0.153 0.000 0.848 271 N CB -0.205 38.193 38.487 -0.148 0.000 1.021 271 N HN -0.655 7.500 8.380 -0.249 0.076 0.422 272 L N -1.260 119.858 121.223 -0.176 0.000 2.083 272 L HA -0.288 nan 4.340 nan 0.000 0.209 272 L C 2.420 179.230 176.870 -0.101 0.000 1.083 272 L CA 3.118 57.871 54.840 -0.145 0.000 0.752 272 L CB -0.470 41.480 42.059 -0.182 0.000 0.899 272 L HN 0.225 8.324 8.230 -0.219 0.000 0.433 273 A N -0.467 122.285 122.820 -0.112 0.000 1.978 273 A HA -0.240 nan 4.320 nan 0.000 0.220 273 A C 1.246 178.790 177.584 -0.066 0.000 1.170 273 A CA 2.731 54.718 52.037 -0.084 0.000 0.636 273 A CB -0.615 18.324 19.000 -0.102 0.000 0.810 273 A HN 0.113 8.175 8.150 -0.147 0.000 0.448 274 E N -3.874 116.281 120.200 -0.076 0.000 2.437 274 E HA 0.064 nan 4.350 nan 0.000 0.189 274 E C -0.180 176.393 176.600 -0.046 0.000 1.054 274 E CA -0.951 55.415 56.400 -0.056 0.000 0.874 274 E CB -0.026 29.638 29.700 -0.059 0.000 1.011 274 E HN -0.437 7.749 8.360 -0.098 0.115 0.474 275 G N -1.816 106.956 108.800 -0.047 0.000 2.184 275 G HA2 -0.445 nan 3.960 nan 0.000 0.264 275 G HA3 -0.445 nan 3.960 nan 0.000 0.264 275 G C -0.181 174.697 174.900 -0.037 0.000 0.975 275 G CA 0.907 45.986 45.100 -0.034 0.000 0.642 275 G HN -0.183 7.893 8.290 -0.055 0.181 0.536 276 K N 0.768 121.139 120.400 -0.049 0.000 2.179 276 K HA 0.246 nan 4.320 nan 0.000 0.238 276 K C 0.002 176.568 176.600 -0.057 0.000 1.033 276 K CA -0.828 55.431 56.287 -0.046 0.000 0.926 276 K CB 0.969 33.439 32.500 -0.049 0.000 1.151 276 K HN -0.507 7.648 8.250 -0.061 0.059 0.492 277 G N -1.827 106.945 108.800 -0.046 0.000 2.483 277 G HA2 0.022 nan 3.960 nan 0.000 0.248 277 G HA3 0.022 nan 3.960 nan 0.000 0.248 277 G C 0.611 175.452 174.900 -0.098 0.000 1.248 277 G CA -0.912 44.157 45.100 -0.050 0.000 0.838 277 G HN -0.192 8.349 8.290 -0.035 -0.272 0.566 278 A N 2.933 125.647 122.820 -0.176 0.000 1.927 278 A HA -0.237 nan 4.320 nan 0.000 0.220 278 A C 0.456 177.940 177.584 -0.168 0.000 1.185 278 A CA 2.971 54.815 52.037 -0.320 0.000 0.639 278 A CB -0.455 18.134 19.000 -0.685 0.000 0.820 278 A HN 0.427 8.487 8.150 -0.150 0.000 0.451 279 A N -3.970 118.813 122.820 -0.061 0.000 2.345 279 A HA 0.158 nan 4.320 nan 0.000 0.225 279 A C -0.418 177.180 177.584 0.023 0.000 1.243 279 A CA -1.418 50.640 52.037 0.035 0.000 0.875 279 A CB -0.008 19.037 19.000 0.075 0.000 0.929 279 A HN -0.200 7.916 8.150 -0.055 0.000 0.502 280 D N 2.656 123.050 120.400 -0.010 0.000 2.472 280 D HA -0.204 nan 4.640 nan 0.000 0.248 280 D C 0.916 177.213 176.300 -0.005 0.000 1.174 280 D CA 2.309 56.303 54.000 -0.011 0.000 0.883 280 D CB -0.734 40.053 40.800 -0.023 0.000 1.149 280 D HN -0.140 8.036 8.370 -0.035 0.173 0.488 281 G N 2.064 110.857 108.800 -0.010 0.000 2.143 281 G HA2 -0.386 nan 3.960 nan 0.000 0.249 281 G HA3 -0.386 nan 3.960 nan 0.000 0.249 281 G C -0.910 173.973 174.900 -0.028 0.000 0.981 281 G CA 0.222 45.311 45.100 -0.017 0.000 0.665 281 G HN 0.373 8.656 8.290 -0.012 0.000 0.528 282 T N -4.698 109.840 114.554 -0.027 0.000 2.940 282 T HA 0.388 nan 4.350 nan 0.000 0.288 282 T C -0.586 174.016 174.700 -0.164 0.000 1.045 282 T CA -1.671 60.374 62.100 -0.092 0.000 1.018 282 T CB 2.463 71.377 68.868 0.076 0.000 1.151 282 T HN -0.329 7.875 8.240 -0.010 0.030 0.529 283 S N 0.126 115.598 115.700 -0.381 0.000 2.561 283 S HA 0.219 nan 4.470 nan 0.000 0.245 283 S C -1.038 173.326 174.600 -0.393 0.000 1.001 283 S CA 0.233 58.225 58.200 -0.347 0.000 1.002 283 S CB 0.016 62.989 63.200 -0.378 0.000 0.805 283 S HN 0.316 8.290 8.310 -0.561 0.000 0.458 284 W N 2.120 123.410 121.300 -0.016 0.000 2.287 284 W HA -0.111 nan 4.660 nan 0.000 0.313 284 W C -0.751 175.766 176.519 -0.003 0.000 1.267 284 W CA -0.746 56.591 57.345 -0.013 0.000 1.201 284 W CB 0.645 30.089 29.460 -0.027 0.000 1.196 284 W HN -0.619 7.435 8.180 -0.093 0.070 0.536 285 K N 2.134 122.682 120.400 0.246 0.000 2.281 285 K HA 0.214 nan 4.320 nan 0.000 0.272 285 K C -1.156 175.539 176.600 0.158 0.000 1.048 285 K CA -0.691 55.688 56.287 0.153 0.000 0.898 285 K CB 0.566 33.127 32.500 0.102 0.000 1.128 285 K HN 0.188 8.613 8.250 0.291 0.000 0.460 286 I N 5.342 125.997 120.570 0.142 0.000 2.315 286 I HA 0.039 nan 4.170 nan 0.000 0.291 286 I C -0.675 175.513 176.117 0.118 0.000 1.006 286 I CA -0.533 60.853 61.300 0.143 0.000 1.265 286 I CB 0.552 38.651 38.000 0.165 0.000 1.387 286 I HN 0.462 8.749 8.210 0.128 0.000 0.475 287 E N 8.050 128.316 120.200 0.110 0.000 2.141 287 E HA 0.186 nan 4.350 nan 0.000 0.259 287 E C -0.810 175.838 176.600 0.079 0.000 0.883 287 E CA -1.081 55.370 56.400 0.085 0.000 0.744 287 E CB 1.731 31.475 29.700 0.074 0.000 1.150 287 E HN 0.631 9.062 8.360 0.119 0.000 0.420 288 N N 5.836 124.573 118.700 0.062 0.000 2.738 288 N HA -0.412 nan 4.740 nan 0.000 0.249 288 N C -0.448 175.077 175.510 0.025 0.000 1.047 288 N CA 1.187 54.257 53.050 0.034 0.000 0.707 288 N CB -0.442 38.061 38.487 0.026 0.000 0.937 288 N HN 0.845 9.261 8.380 0.060 0.000 0.545 289 K N -10.293 110.133 120.400 0.044 0.000 3.553 289 K HA -0.412 nan 4.320 nan 0.000 0.303 289 K C -1.353 175.358 176.600 0.185 0.000 1.327 289 K CA 1.697 57.992 56.287 0.014 0.000 0.983 289 K CB -1.843 30.504 32.500 -0.255 0.000 1.275 289 K HN 0.316 8.616 8.250 0.082 0.000 0.453 290 I N -1.203 119.469 120.570 0.171 0.000 2.441 290 I HA 0.538 nan 4.170 nan 0.000 0.295 290 I C -1.531 174.672 176.117 0.144 0.000 0.994 290 I CA -1.039 60.382 61.300 0.202 0.000 1.144 290 I CB 2.631 40.761 38.000 0.217 0.000 1.314 290 I HN -0.378 7.719 8.210 0.133 0.193 0.445 291 V N 7.008 126.970 119.914 0.079 0.000 2.448 291 V HA 0.402 nan 4.120 nan 0.000 0.295 291 V C -1.417 174.681 176.094 0.006 0.000 1.025 291 V CA -1.275 61.044 62.300 0.032 0.000 0.859 291 V CB 1.520 33.294 31.823 -0.081 0.000 0.988 291 V HN 0.714 8.932 8.190 0.047 0.000 0.431 292 R N 6.061 126.593 120.500 0.052 0.000 2.360 292 R HA 0.584 nan 4.340 nan 0.000 0.318 292 R C -0.486 175.833 176.300 0.032 0.000 0.950 292 R CA -1.106 55.022 56.100 0.047 0.000 0.837 292 R CB 1.429 31.778 30.300 0.082 0.000 1.165 292 R HN 0.194 8.513 8.270 0.082 0.000 0.458 293 V N 6.515 126.414 119.914 -0.024 0.000 2.567 293 V HA 0.329 nan 4.120 nan 0.000 0.289 293 V C -2.085 173.963 176.094 -0.077 0.000 1.049 293 V CA -3.013 59.279 62.300 -0.013 0.000 0.969 293 V CB 0.768 32.571 31.823 -0.033 0.000 0.995 293 V HN 0.658 8.700 8.190 -0.064 0.110 0.471 294 P HA 0.072 nan 4.420 nan 0.000 0.275 294 P C -1.725 175.565 177.300 -0.017 0.000 1.228 294 P CA -0.813 62.303 63.100 0.026 0.000 0.786 294 P CB 0.539 32.289 31.700 0.083 0.000 0.927 295 Y N 0.509 120.842 120.300 0.055 0.000 2.307 295 Y HA 0.072 nan 4.550 nan 0.000 0.324 295 Y C -0.246 175.689 175.900 0.059 0.000 1.238 295 Y CA 0.261 58.387 58.100 0.042 0.000 1.280 295 Y CB 1.481 39.952 38.460 0.018 0.000 1.248 295 Y HN -0.207 8.517 8.280 0.298 -0.265 0.508 296 V N 1.464 121.515 119.914 0.229 0.000 2.709 296 V HA 0.294 nan 4.120 nan 0.000 0.308 296 V C -1.074 175.078 176.094 0.097 0.000 1.062 296 V CA -1.685 60.721 62.300 0.177 0.000 0.901 296 V CB 3.726 35.699 31.823 0.250 0.000 1.003 296 V HN 0.120 8.445 8.190 0.224 0.000 0.425 297 G N 4.228 113.084 108.800 0.093 0.000 2.432 297 G HA2 0.484 nan 3.960 nan 0.000 0.257 297 G HA3 0.484 nan 3.960 nan 0.000 0.257 297 G C -1.240 173.674 174.900 0.023 0.000 1.238 297 G CA -0.329 44.806 45.100 0.058 0.000 0.838 297 G HN 0.014 8.376 8.290 0.120 0.000 0.547 298 V N 4.946 124.836 119.914 -0.040 0.000 2.569 298 V HA 0.555 nan 4.120 nan 0.000 0.301 298 V C -1.688 174.427 176.094 0.035 0.000 1.044 298 V CA -1.168 61.068 62.300 -0.107 0.000 0.874 298 V CB 1.900 33.447 31.823 -0.459 0.000 1.002 298 V HN 0.638 8.825 8.190 -0.006 0.000 0.424 299 D N 5.522 125.994 120.400 0.121 0.000 2.867 299 D HA 0.482 nan 4.640 nan 0.000 0.308 299 D C 0.461 176.847 176.300 0.143 0.000 1.202 299 D CA -1.550 52.538 54.000 0.148 0.000 1.035 299 D CB 1.932 42.917 40.800 0.309 0.000 1.427 299 D HN 0.474 9.273 8.370 0.151 -0.338 0.570 300 K N -0.170 120.313 120.400 0.137 0.000 2.152 300 K HA -0.319 nan 4.320 nan 0.000 0.206 300 K C 1.534 178.210 176.600 0.126 0.000 1.048 300 K CA 3.577 59.934 56.287 0.117 0.000 0.933 300 K CB -0.204 32.358 32.500 0.103 0.000 0.721 300 K HN 0.550 8.881 8.250 0.136 0.000 0.447 301 D N -3.665 116.821 120.400 0.143 0.000 2.224 301 D HA -0.099 nan 4.640 nan 0.000 0.205 301 D C 0.945 177.322 176.300 0.127 0.000 0.965 301 D CA 2.088 56.159 54.000 0.118 0.000 0.852 301 D CB -0.422 40.441 40.800 0.105 0.000 0.947 301 D HN 0.251 8.804 8.370 0.172 -0.080 0.494 302 N N -2.276 116.531 118.700 0.178 0.000 2.282 302 N HA 0.093 nan 4.740 nan 0.000 0.240 302 N C 0.141 175.836 175.510 0.308 0.000 1.182 302 N CA -0.992 52.183 53.050 0.209 0.000 0.874 302 N CB 0.429 39.070 38.487 0.256 0.000 1.126 302 N HN -0.500 8.135 8.380 0.196 -0.137 0.516 303 L N 1.345 122.726 121.223 0.264 0.000 2.201 303 L HA -0.214 nan 4.340 nan 0.000 0.212 303 L C 0.776 177.801 176.870 0.259 0.000 1.105 303 L CA 2.498 57.529 54.840 0.318 0.000 0.775 303 L CB -0.117 42.051 42.059 0.182 0.000 0.913 303 L HN -0.887 7.391 8.230 0.190 0.066 0.440 304 S N -3.869 111.909 115.700 0.129 0.000 2.547 304 S HA -0.273 nan 4.470 nan 0.000 0.235 304 S C 0.873 175.445 174.600 -0.047 0.000 0.980 304 S CA 2.205 60.434 58.200 0.048 0.000 0.941 304 S CB -0.750 62.466 63.200 0.026 0.000 0.763 304 S HN -0.012 8.340 8.310 0.119 0.029 0.532 305 E N -0.237 119.859 120.200 -0.174 0.000 2.481 305 E HA -0.068 nan 4.350 nan 0.000 0.195 305 E C 0.186 176.350 176.600 -0.726 0.000 1.047 305 E CA 1.714 57.809 56.400 -0.508 0.000 0.867 305 E CB 0.430 29.672 29.700 -0.763 0.000 0.858 305 E HN -0.521 7.746 8.360 -0.071 0.051 0.513 306 F N -2.572 117.402 119.950 0.040 0.000 2.667 306 F HA 0.132 nan 4.527 nan 0.000 0.288 306 F C 0.346 176.168 175.800 0.036 0.000 1.086 306 F CA 1.036 59.062 58.000 0.043 0.000 1.297 306 F CB 2.275 41.307 39.000 0.054 0.000 1.059 306 F HN -0.185 7.979 8.300 0.064 0.174 0.624 307 T N 0.000 114.663 114.554 0.182 0.000 3.816 307 T HA 0.000 nan 4.350 nan 0.000 0.228 307 T CA 0.000 62.165 62.100 0.108 0.000 1.349 307 T CB 0.000 68.931 68.868 0.106 0.000 0.612 307 T HN 0.000 8.352 8.240 0.187 0.000 0.658