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 2xok_1_D DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA E VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.603 174.600 0.005 0.000 1.055 6 S CA 0.000 58.203 58.200 0.005 0.000 1.107 6 S CB 0.000 63.203 63.200 0.005 0.000 0.593 7 T N 3.811 118.368 114.554 0.006 0.000 3.866 7 T HA 0.381 4.731 4.350 0.000 0.000 0.241 7 T C -2.616 172.090 174.700 0.010 0.000 1.017 7 T CA -0.766 61.337 62.100 0.006 0.000 1.300 7 T CB -0.264 68.605 68.868 0.002 0.000 0.968 7 T HN 0.397 nan 8.240 nan 0.000 0.595 8 P HA 0.535 nan 4.420 nan 0.000 0.280 8 P C -0.584 176.740 177.300 0.040 0.000 1.244 8 P CA -0.523 62.592 63.100 0.025 0.000 0.784 8 P CB 1.014 32.729 31.700 0.025 0.000 0.913 9 I N 1.364 121.968 120.570 0.058 0.000 2.353 9 I HA 0.300 4.470 4.170 0.000 0.000 0.293 9 I C 0.573 176.807 176.117 0.194 0.000 0.992 9 I CA -0.047 61.316 61.300 0.105 0.000 1.268 9 I CB 1.297 39.333 38.000 0.059 0.000 1.387 9 I HN 0.231 nan 8.210 nan 0.000 0.478 10 T N 4.126 118.797 114.554 0.195 0.000 2.856 10 T HA 0.740 5.090 4.350 0.000 0.000 0.283 10 T C 0.081 174.750 174.700 -0.051 0.000 1.008 10 T CA -0.633 61.526 62.100 0.100 0.000 0.997 10 T CB 1.851 70.734 68.868 0.024 0.000 0.992 10 T HN 0.859 nan 8.240 nan 0.000 0.454 11 G N 1.546 110.113 108.800 -0.390 0.000 2.949 11 G HA2 0.770 4.731 3.960 0.000 0.000 0.285 11 G HA3 0.770 4.731 3.960 0.000 0.000 0.285 11 G C -1.664 172.975 174.900 -0.436 0.000 1.395 11 G CA -0.790 43.780 45.100 -0.883 0.000 0.901 11 G HN 0.562 nan 8.290 nan 0.000 0.519 12 K N -0.396 119.786 120.400 -0.363 0.000 2.422 12 K HA 0.531 4.851 4.320 0.000 0.000 0.251 12 K C -0.932 175.588 176.600 -0.133 0.000 0.933 12 K CA -0.760 55.423 56.287 -0.173 0.000 0.798 12 K CB 3.072 35.519 32.500 -0.089 0.000 1.238 12 K HN 0.249 nan 8.250 nan 0.000 0.428 13 V N 2.297 122.158 119.914 -0.088 0.000 2.572 13 V HA -0.004 4.116 4.120 0.000 0.000 0.291 13 V C 1.334 177.403 176.094 -0.041 0.000 1.039 13 V CA 0.642 62.908 62.300 -0.056 0.000 1.055 13 V CB 0.983 32.782 31.823 -0.039 0.000 0.969 13 V HN 1.093 nan 8.190 nan 0.000 0.482 14 T N 0.961 115.498 114.554 -0.028 0.000 2.959 14 T HA 0.589 4.940 4.350 0.000 0.000 0.254 14 T C 0.283 174.969 174.700 -0.023 0.000 1.003 14 T CA 0.484 62.567 62.100 -0.029 0.000 0.950 14 T CB 0.555 69.404 68.868 -0.031 0.000 1.090 14 T HN 1.006 nan 8.240 nan 0.000 0.503 15 A N 0.428 123.240 122.820 -0.013 0.000 2.594 15 A HA 0.734 5.054 4.320 0.000 0.000 0.295 15 A C -1.669 175.912 177.584 -0.006 0.000 1.071 15 A CA -0.718 51.313 52.037 -0.010 0.000 0.685 15 A CB 1.934 20.930 19.000 -0.005 0.000 1.285 15 A HN 0.372 nan 8.150 nan 0.000 0.405 16 V N 1.769 121.679 119.914 -0.006 0.000 2.525 16 V HA 0.515 4.635 4.120 0.000 0.000 0.299 16 V C -0.859 175.233 176.094 -0.004 0.000 1.034 16 V CA -0.064 62.234 62.300 -0.004 0.000 0.863 16 V CB 1.392 33.212 31.823 -0.005 0.000 0.999 16 V HN 0.698 nan 8.190 nan 0.000 0.423 17 I N 4.430 124.999 120.570 -0.002 0.000 2.521 17 I HA 0.582 4.752 4.170 0.000 0.000 0.277 17 I C 1.053 177.168 176.117 -0.003 0.000 1.054 17 I CA 0.044 61.343 61.300 -0.003 0.000 1.117 17 I CB 1.335 39.334 38.000 -0.002 0.000 1.217 17 I HN 0.863 nan 8.210 nan 0.000 0.469 18 G N 4.908 113.706 108.800 -0.004 0.000 2.634 18 G HA2 -0.390 3.570 3.960 0.000 0.000 0.318 18 G HA3 -0.390 3.570 3.960 0.000 0.000 0.318 18 G C 0.859 175.756 174.900 -0.004 0.000 1.207 18 G CA 0.608 45.705 45.100 -0.005 0.000 0.987 18 G HN 0.803 nan 8.290 nan 0.000 0.547 19 A N -0.287 122.530 122.820 -0.006 0.000 2.278 19 A HA 0.574 4.894 4.320 0.000 0.000 0.212 19 A C 0.795 178.378 177.584 -0.000 0.000 1.213 19 A CA 0.729 52.764 52.037 -0.004 0.000 0.840 19 A CB -0.077 18.918 19.000 -0.009 0.000 0.866 19 A HN 0.624 nan 8.150 nan 0.000 0.489 20 I N 0.970 121.540 120.570 0.001 0.000 2.354 20 I HA 0.364 4.534 4.170 0.000 0.000 0.292 20 I C -0.827 175.295 176.117 0.009 0.000 0.989 20 I CA -0.698 60.606 61.300 0.007 0.000 1.188 20 I CB 1.257 39.260 38.000 0.006 0.000 1.342 20 I HN -0.171 nan 8.210 nan 0.000 0.457 21 V N 5.452 125.376 119.914 0.015 0.000 2.409 21 V HA 0.308 4.428 4.120 0.000 0.000 0.290 21 V C -0.474 175.634 176.094 0.024 0.000 1.017 21 V CA -0.758 61.551 62.300 0.015 0.000 0.841 21 V CB 1.913 33.744 31.823 0.014 0.000 1.003 21 V HN 0.567 nan 8.190 nan 0.000 0.426 22 D N 3.439 123.851 120.400 0.020 0.000 2.256 22 D HA 0.538 5.178 4.640 0.000 0.000 0.250 22 D C -0.292 176.022 176.300 0.023 0.000 1.093 22 D CA 0.116 54.135 54.000 0.031 0.000 0.882 22 D CB 2.129 42.945 40.800 0.027 0.000 1.185 22 D HN 0.293 nan 8.370 nan 0.000 0.437 23 V N 2.294 122.232 119.914 0.040 0.000 2.735 23 V HA 0.279 4.399 4.120 0.000 0.000 0.310 23 V C -0.247 175.851 176.094 0.008 0.000 1.061 23 V CA -0.893 61.396 62.300 -0.019 0.000 0.913 23 V CB 2.217 34.015 31.823 -0.042 0.000 1.005 23 V HN 0.555 nan 8.190 nan 0.000 0.428 24 H N 3.501 122.439 119.070 -0.219 0.000 2.489 24 H HA 0.634 5.190 4.556 0.000 0.000 0.343 24 H C -1.999 173.139 175.328 -0.318 0.000 1.086 24 H CA -0.441 55.513 56.048 -0.156 0.000 1.198 24 H CB 1.545 31.251 29.762 -0.093 0.000 1.490 24 H HN 0.520 nan 8.280 nan 0.000 0.504 25 F N 1.921 121.481 119.950 -0.651 0.000 2.579 25 F HA 0.203 4.730 4.527 0.000 0.000 0.324 25 F C 0.503 175.989 175.800 -0.524 0.000 1.058 25 F CA -0.906 56.833 58.000 -0.435 0.000 0.944 25 F CB 1.306 40.151 39.000 -0.259 0.000 1.245 25 F HN 0.488 nan 8.300 nan 0.000 0.477 26 E N 0.448 120.624 120.200 -0.040 0.000 2.410 26 E HA 0.036 4.386 4.350 0.000 0.000 0.255 26 E C -0.376 176.205 176.600 -0.031 0.000 1.194 26 E CA -0.320 56.056 56.400 -0.040 0.000 0.955 26 E CB 0.195 29.901 29.700 0.009 0.000 0.988 26 E HN 0.344 nan 8.360 nan 0.000 0.461 27 Q N 0.947 120.738 119.800 -0.015 0.000 2.436 27 Q HA -0.069 4.271 4.340 0.000 0.000 0.326 27 Q C -0.337 175.647 176.000 -0.027 0.000 1.079 27 Q CA 0.476 56.271 55.803 -0.013 0.000 1.049 27 Q CB -0.303 28.436 28.738 0.001 0.000 1.047 27 Q HN 0.684 nan 8.270 nan 0.000 0.386 28 S N 2.338 118.016 115.700 -0.037 0.000 3.339 28 S HA -0.235 4.235 4.470 0.000 0.000 0.320 28 S C 0.404 174.969 174.600 -0.058 0.000 0.870 28 S CA 1.156 59.330 58.200 -0.045 0.000 1.365 28 S CB -0.845 62.342 63.200 -0.022 0.000 1.157 28 S HN 0.866 nan 8.310 nan 0.000 0.516 29 E N -0.006 120.134 120.200 -0.101 0.000 2.925 29 E HA 0.110 4.460 4.350 0.000 0.000 0.109 29 E C -0.940 175.502 176.600 -0.263 0.000 0.832 29 E CA -0.521 55.803 56.400 -0.126 0.000 1.502 29 E CB -0.174 29.482 29.700 -0.074 0.000 0.930 29 E HN 0.496 nan 8.360 nan 0.000 0.374 30 L N 3.072 124.131 121.223 -0.273 0.000 2.397 30 L HA 0.392 4.732 4.340 0.000 0.000 0.271 30 L C -1.888 174.786 176.870 -0.326 0.000 1.148 30 L CA -1.389 53.186 54.840 -0.442 0.000 0.825 30 L CB 0.106 41.872 42.059 -0.487 0.000 1.117 30 L HN 0.119 nan 8.230 nan 0.000 0.456 31 P HA 0.229 nan 4.420 nan 0.000 0.275 31 P C -0.946 176.372 177.300 0.030 0.000 1.228 31 P CA -0.527 62.449 63.100 -0.206 0.000 0.786 31 P CB 0.866 32.426 31.700 -0.233 0.000 0.927 32 A N 3.356 126.178 122.820 0.003 0.000 2.313 32 A HA 0.335 4.655 4.320 0.000 0.000 0.261 32 A C 0.610 178.158 177.584 -0.061 0.000 1.090 32 A CA -0.722 51.298 52.037 -0.028 0.000 0.807 32 A CB -0.317 18.637 19.000 -0.077 0.000 1.055 32 A HN 0.549 nan 8.150 nan 0.000 0.492 33 I N 0.656 121.114 120.570 -0.186 0.000 2.845 33 I HA -0.097 4.073 4.170 0.000 0.000 0.296 33 I C 0.514 176.542 176.117 -0.148 0.000 1.216 33 I CA 0.934 62.140 61.300 -0.157 0.000 1.438 33 I CB 0.012 37.884 38.000 -0.212 0.000 1.342 33 I HN 0.698 nan 8.210 nan 0.000 0.577 34 L N 2.025 123.160 121.223 -0.148 0.000 4.892 34 L HA -0.252 4.089 4.340 0.000 0.000 0.403 34 L C 0.134 176.936 176.870 -0.114 0.000 0.913 34 L CA 0.048 54.745 54.840 -0.238 0.000 1.653 34 L CB -1.786 40.003 42.059 -0.451 0.000 1.780 34 L HN 0.687 nan 8.230 nan 0.000 0.597 35 N N 0.969 119.636 118.700 -0.054 0.000 2.482 35 N HA 0.567 5.307 4.740 0.000 0.000 0.260 35 N C 0.274 175.796 175.510 0.019 0.000 1.236 35 N CA 0.765 53.807 53.050 -0.014 0.000 0.938 35 N CB 0.924 39.401 38.487 -0.017 0.000 1.128 35 N HN 0.307 nan 8.380 nan 0.000 0.448 36 A N 1.658 124.498 122.820 0.033 0.000 2.304 36 A HA 0.670 4.990 4.320 0.000 0.000 0.301 36 A C -0.451 177.164 177.584 0.051 0.000 1.132 36 A CA -0.489 51.576 52.037 0.046 0.000 0.819 36 A CB 0.288 19.316 19.000 0.046 0.000 1.094 36 A HN 0.595 nan 8.150 nan 0.000 0.492 37 L N 0.864 122.125 121.223 0.064 0.000 2.323 37 L HA 0.650 4.990 4.340 0.000 0.000 0.265 37 L C -0.125 176.780 176.870 0.059 0.000 1.012 37 L CA -0.554 54.334 54.840 0.081 0.000 0.820 37 L CB 2.095 44.225 42.059 0.119 0.000 1.334 37 L HN 0.776 nan 8.230 nan 0.000 0.427 38 E N 1.364 121.597 120.200 0.055 0.000 2.293 38 E HA 0.614 4.964 4.350 0.000 0.000 0.270 38 E C -1.412 175.206 176.600 0.029 0.000 0.879 38 E CA -0.556 55.866 56.400 0.037 0.000 0.756 38 E CB 3.207 32.925 29.700 0.030 0.000 1.208 38 E HN 0.370 nan 8.360 nan 0.000 0.428 39 I N 2.568 123.150 120.570 0.019 0.000 2.436 39 I HA 0.240 4.410 4.170 0.000 0.000 0.289 39 I C -0.364 175.757 176.117 0.007 0.000 1.010 39 I CA -0.778 60.527 61.300 0.009 0.000 1.098 39 I CB 1.697 39.699 38.000 0.004 0.000 1.266 39 I HN 0.230 nan 8.210 nan 0.000 0.434 40 K N 6.563 126.965 120.400 0.004 0.000 2.273 40 K HA 0.310 4.630 4.320 0.000 0.000 0.287 40 K C -0.279 176.321 176.600 0.000 0.000 1.089 40 K CA -0.150 56.139 56.287 0.003 0.000 0.909 40 K CB 0.613 33.115 32.500 0.003 0.000 1.123 40 K HN 0.752 nan 8.250 nan 0.000 0.473 41 T N 1.619 116.174 114.554 0.001 0.000 2.936 41 T HA 0.319 4.669 4.350 0.000 0.000 0.282 41 T C -1.744 172.955 174.700 -0.001 0.000 1.003 41 T CA -1.782 60.318 62.100 -0.001 0.000 1.005 41 T CB 1.160 70.028 68.868 -0.000 0.000 1.097 41 T HN 0.278 nan 8.240 nan 0.000 0.532 42 P HA -0.085 nan 4.420 nan 0.000 0.215 42 P C 0.200 177.499 177.300 -0.002 0.000 1.157 42 P CA 1.214 64.313 63.100 -0.002 0.000 0.874 42 P CB 0.040 31.738 31.700 -0.003 0.000 0.790 43 Q N -0.314 119.486 119.800 -0.002 0.000 2.400 43 Q HA 0.463 4.803 4.340 0.000 0.000 0.255 43 Q C 0.709 176.709 176.000 -0.000 0.000 1.008 43 Q CA -0.221 55.581 55.803 -0.001 0.000 0.841 43 Q CB 1.077 29.814 28.738 -0.002 0.000 1.220 43 Q HN 0.160 nan 8.270 nan 0.000 0.474 44 G N 2.901 111.701 108.800 0.000 0.000 2.569 44 G HA2 -0.326 3.635 3.960 0.000 0.000 0.259 44 G HA3 -0.326 3.635 3.960 0.000 0.000 0.259 44 G C -0.608 174.293 174.900 0.003 0.000 1.263 44 G CA 0.031 45.132 45.100 0.001 0.000 0.928 44 G HN 0.633 nan 8.290 nan 0.000 0.572 45 K N -1.211 119.191 120.400 0.005 0.000 2.350 45 K HA 0.821 5.141 4.320 0.000 0.000 0.241 45 K C -1.175 175.430 176.600 0.008 0.000 0.994 45 K CA -1.156 55.135 56.287 0.007 0.000 0.839 45 K CB 2.566 35.071 32.500 0.009 0.000 1.244 45 K HN 1.042 nan 8.250 nan 0.000 0.443 46 L N 1.848 123.077 121.223 0.010 0.000 2.318 46 L HA 0.305 4.645 4.340 0.000 0.000 0.277 46 L C -1.329 175.552 176.870 0.018 0.000 1.008 46 L CA -0.614 54.233 54.840 0.012 0.000 0.846 46 L CB 1.695 43.759 42.059 0.009 0.000 1.220 46 L HN 0.531 nan 8.230 nan 0.000 0.423 47 V N 6.227 126.154 119.914 0.021 0.000 2.555 47 V HA 0.296 4.416 4.120 0.000 0.000 0.286 47 V C 0.466 176.580 176.094 0.032 0.000 1.044 47 V CA -0.117 62.200 62.300 0.028 0.000 1.026 47 V CB 1.062 32.902 31.823 0.028 0.000 0.981 47 V HN 0.641 nan 8.190 nan 0.000 0.480 48 L N 3.885 125.133 121.223 0.041 0.000 2.303 48 L HA 0.719 5.059 4.340 0.000 0.000 0.266 48 L C -0.131 176.772 176.870 0.054 0.000 1.011 48 L CA -0.634 54.234 54.840 0.046 0.000 0.818 48 L CB 1.929 44.019 42.059 0.052 0.000 1.326 48 L HN 0.563 nan 8.230 nan 0.000 0.435 49 E N 0.647 120.879 120.200 0.053 0.000 2.260 49 E HA 0.321 4.671 4.350 0.000 0.000 0.266 49 E C -1.528 175.100 176.600 0.046 0.000 0.887 49 E CA -0.615 55.818 56.400 0.054 0.000 0.777 49 E CB 2.622 32.362 29.700 0.067 0.000 1.205 49 E HN 0.281 nan 8.360 nan 0.000 0.414 50 V N 3.519 123.458 119.914 0.043 0.000 2.585 50 V HA 0.116 4.236 4.120 0.000 0.000 0.296 50 V C 0.910 177.017 176.094 0.022 0.000 1.035 50 V CA 0.955 63.289 62.300 0.056 0.000 1.084 50 V CB 0.906 32.776 31.823 0.078 0.000 0.953 50 V HN 0.858 nan 8.190 nan 0.000 0.483 51 A N 4.104 126.947 122.820 0.038 0.000 1.999 51 A HA 0.344 4.664 4.320 0.000 0.000 0.200 51 A C 0.733 178.325 177.584 0.013 0.000 1.363 51 A CA 0.175 52.219 52.037 0.011 0.000 0.844 51 A CB 0.356 19.365 19.000 0.015 0.000 0.954 51 A HN 0.753 nan 8.150 nan 0.000 0.481 52 Q N -1.304 118.533 119.800 0.061 0.000 2.544 52 Q HA 0.454 4.794 4.340 0.000 0.000 0.291 52 Q C -1.505 174.627 176.000 0.221 0.000 1.068 52 Q CA -0.613 55.236 55.803 0.077 0.000 0.785 52 Q CB 1.896 30.671 28.738 0.061 0.000 1.481 52 Q HN 0.580 nan 8.270 nan 0.000 0.430 53 H N 1.406 120.480 119.070 0.007 0.000 2.691 53 H HA 0.242 4.798 4.556 0.000 0.000 0.281 53 H C 0.407 175.748 175.328 0.022 0.000 1.121 53 H CA -0.217 55.839 56.048 0.014 0.000 1.254 53 H CB 0.731 30.492 29.762 -0.001 0.000 1.390 53 H HN 0.435 nan 8.280 nan 0.000 0.491 54 L N 2.645 123.936 121.223 0.114 0.000 2.376 54 L HA 0.070 4.410 4.340 0.000 0.000 0.219 54 L C 1.255 178.161 176.870 0.061 0.000 1.133 54 L CA 0.757 55.642 54.840 0.075 0.000 0.816 54 L CB -0.104 41.991 42.059 0.060 0.000 0.933 54 L HN 0.830 nan 8.230 nan 0.000 0.449 55 G N -0.162 108.670 108.800 0.054 0.000 2.663 55 G HA2 -0.165 3.795 3.960 0.000 0.000 0.686 55 G HA3 -0.165 3.795 3.960 0.000 0.000 0.686 55 G C -0.035 174.893 174.900 0.047 0.000 1.288 55 G CA -0.431 44.694 45.100 0.042 0.000 0.836 55 G HN 0.286 nan 8.290 nan 0.000 0.584 56 E N 0.073 120.302 120.200 0.048 0.000 2.360 56 E HA -0.263 4.087 4.350 0.000 0.000 0.238 56 E C 0.788 177.470 176.600 0.136 0.000 1.186 56 E CA 0.702 57.146 56.400 0.074 0.000 0.719 56 E CB -1.017 28.719 29.700 0.061 0.000 1.236 56 E HN 1.094 nan 8.360 nan 0.000 0.386 57 N N -1.510 117.229 118.700 0.064 0.000 2.741 57 N HA -0.140 4.600 4.740 0.000 0.000 0.251 57 N C -0.831 174.718 175.510 0.065 0.000 1.112 57 N CA 1.909 54.963 53.050 0.007 0.000 0.750 57 N CB -1.156 37.300 38.487 -0.052 0.000 1.119 57 N HN 0.300 nan 8.380 nan 0.000 0.561 58 T N -0.138 114.477 114.554 0.101 0.000 2.829 58 T HA 0.640 4.990 4.350 0.000 0.000 0.280 58 T C 0.437 175.172 174.700 0.057 0.000 0.999 58 T CA -0.691 61.486 62.100 0.129 0.000 0.983 58 T CB 2.742 71.697 68.868 0.145 0.000 0.968 58 T HN 0.125 nan 8.240 nan 0.000 0.446 59 V N 1.106 121.076 119.914 0.093 0.000 2.715 59 V HA 0.758 4.878 4.120 0.000 0.000 0.310 59 V C -0.286 175.871 176.094 0.105 0.000 1.054 59 V CA -1.428 60.934 62.300 0.104 0.000 0.928 59 V CB 1.715 33.619 31.823 0.135 0.000 1.007 59 V HN 0.847 nan 8.190 nan 0.000 0.437 60 R N 2.317 122.877 120.500 0.099 0.000 2.265 60 R HA 0.675 5.015 4.340 0.000 0.000 0.319 60 R C 0.102 176.444 176.300 0.070 0.000 1.006 60 R CA 0.323 56.465 56.100 0.071 0.000 0.880 60 R CB 1.292 31.625 30.300 0.055 0.000 1.077 60 R HN 1.164 nan 8.270 nan 0.000 0.454 61 T N 1.266 115.855 114.554 0.059 0.000 2.949 61 T HA 0.577 4.927 4.350 0.000 0.000 0.287 61 T C 0.035 174.756 174.700 0.035 0.000 1.034 61 T CA -0.835 61.297 62.100 0.054 0.000 1.018 61 T CB 1.096 70.002 68.868 0.064 0.000 1.135 61 T HN 0.422 nan 8.240 nan 0.000 0.532 62 I N 1.183 121.771 120.570 0.031 0.000 2.474 62 I HA 0.603 4.773 4.170 0.000 0.000 0.294 62 I C 0.271 176.402 176.117 0.023 0.000 1.005 62 I CA -1.272 60.040 61.300 0.020 0.000 1.113 62 I CB 1.900 39.906 38.000 0.010 0.000 1.289 62 I HN 0.941 nan 8.210 nan 0.000 0.436 63 A N 6.594 129.424 122.820 0.016 0.000 2.289 63 A HA 0.491 4.811 4.320 0.000 0.000 0.298 63 A C 0.583 178.175 177.584 0.014 0.000 1.208 63 A CA -0.501 51.546 52.037 0.016 0.000 0.845 63 A CB 0.486 19.493 19.000 0.011 0.000 1.125 63 A HN 0.714 nan 8.150 nan 0.000 0.517 64 M N 1.366 120.978 119.600 0.019 0.000 2.633 64 M HA 0.160 4.640 4.480 0.000 0.000 0.226 64 M C -0.114 176.195 176.300 0.014 0.000 1.137 64 M CA 0.623 55.934 55.300 0.019 0.000 1.020 64 M CB -1.553 31.062 32.600 0.025 0.000 1.675 64 M HN 0.773 nan 8.290 nan 0.000 0.500 65 D N -1.366 119.040 120.400 0.011 0.000 2.946 65 D HA 0.484 5.124 4.640 0.000 0.000 0.337 65 D C -0.575 175.728 176.300 0.004 0.000 1.332 65 D CA -0.254 53.751 54.000 0.007 0.000 0.935 65 D CB 0.760 41.565 40.800 0.008 0.000 1.440 65 D HN 0.102 nan 8.370 nan 0.000 0.540 66 G N -0.867 107.935 108.800 0.002 0.000 2.403 66 G HA2 0.413 4.373 3.960 0.000 0.000 0.259 66 G HA3 0.413 4.373 3.960 0.000 0.000 0.259 66 G C 0.767 175.667 174.900 0.000 0.000 1.244 66 G CA 0.357 45.458 45.100 0.000 0.000 0.849 66 G HN 0.370 nan 8.290 nan 0.000 0.532 67 T N -1.040 113.513 114.554 -0.001 0.000 3.086 67 T HA 0.124 4.474 4.350 0.000 0.000 0.250 67 T C 0.787 175.485 174.700 -0.003 0.000 1.074 67 T CA -0.070 62.030 62.100 -0.001 0.000 0.988 67 T CB -0.010 68.858 68.868 -0.001 0.000 0.988 67 T HN 0.632 nan 8.240 nan 0.000 0.530 68 E N 1.696 121.895 120.200 -0.003 0.000 2.392 68 E HA 0.345 4.695 4.350 0.000 0.000 0.264 68 E C 1.079 177.677 176.600 -0.004 0.000 1.024 68 E CA 0.461 56.859 56.400 -0.004 0.000 0.903 68 E CB 0.426 30.123 29.700 -0.004 0.000 0.963 68 E HN 0.411 nan 8.360 nan 0.000 0.432 69 G N 2.601 111.398 108.800 -0.005 0.000 2.175 69 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 69 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 69 G C 0.201 175.098 174.900 -0.006 0.000 0.982 69 G CA 0.158 45.255 45.100 -0.005 0.000 0.641 69 G HN 0.481 nan 8.290 nan 0.000 0.527 70 L N 1.252 122.471 121.223 -0.006 0.000 2.367 70 L HA 0.509 4.849 4.340 0.000 0.000 0.275 70 L C 0.471 177.335 176.870 -0.011 0.000 1.129 70 L CA -0.511 54.324 54.840 -0.008 0.000 0.839 70 L CB 1.397 43.451 42.059 -0.007 0.000 1.133 70 L HN -0.010 nan 8.230 nan 0.000 0.453 71 V N 4.610 124.516 119.914 -0.013 0.000 2.459 71 V HA 0.374 4.494 4.120 0.000 0.000 0.295 71 V C 0.318 176.401 176.094 -0.019 0.000 1.029 71 V CA -0.872 61.419 62.300 -0.015 0.000 0.874 71 V CB 1.735 33.549 31.823 -0.014 0.000 0.985 71 V HN 0.709 nan 8.190 nan 0.000 0.438 72 R N 2.336 122.824 120.500 -0.020 0.000 2.679 72 R HA 0.390 4.730 4.340 0.000 0.000 0.268 72 R C 1.333 177.616 176.300 -0.029 0.000 1.044 72 R CA 0.979 57.064 56.100 -0.025 0.000 1.105 72 R CB 0.192 30.477 30.300 -0.025 0.000 0.989 72 R HN 1.187 nan 8.270 nan 0.000 0.447 73 G N 1.178 109.956 108.800 -0.036 0.000 2.148 73 G HA2 -0.337 3.623 3.960 0.000 0.000 0.254 73 G HA3 -0.337 3.623 3.960 0.000 0.000 0.254 73 G C -0.043 174.833 174.900 -0.039 0.000 0.981 73 G CA 0.494 45.571 45.100 -0.038 0.000 0.670 73 G HN 0.649 nan 8.290 nan 0.000 0.528 74 E N 0.811 120.987 120.200 -0.040 0.000 2.313 74 E HA 0.538 4.888 4.350 0.000 0.000 0.276 74 E C 0.661 177.230 176.600 -0.053 0.000 1.031 74 E CA -0.755 55.623 56.400 -0.038 0.000 0.857 74 E CB 0.432 30.115 29.700 -0.028 0.000 1.040 74 E HN 0.253 nan 8.360 nan 0.000 0.408 75 K N 2.340 122.712 120.400 -0.046 0.000 2.489 75 K HA 0.099 4.419 4.320 0.000 0.000 0.278 75 K C -0.906 175.663 176.600 -0.052 0.000 1.000 75 K CA -0.013 56.241 56.287 -0.055 0.000 1.012 75 K CB 0.688 33.169 32.500 -0.032 0.000 0.903 75 K HN 0.328 nan 8.250 nan 0.000 0.485 76 V N 4.675 124.542 119.914 -0.079 0.000 2.769 76 V HA 0.444 4.564 4.120 0.000 0.000 0.312 76 V C -0.691 175.417 176.094 0.024 0.000 1.061 76 V CA -1.060 61.217 62.300 -0.039 0.000 0.931 76 V CB 1.741 33.513 31.823 -0.086 0.000 1.010 76 V HN 0.572 nan 8.190 nan 0.000 0.433 77 L N 2.578 123.844 121.223 0.071 0.000 2.362 77 L HA 0.648 4.988 4.340 0.000 0.000 0.275 77 L C -0.727 176.217 176.870 0.124 0.000 0.998 77 L CA -0.217 54.682 54.840 0.097 0.000 0.820 77 L CB 1.861 43.953 42.059 0.054 0.000 1.270 77 L HN 0.733 nan 8.230 nan 0.000 0.415 78 D N 1.634 122.117 120.400 0.138 0.000 2.295 78 D HA 0.129 4.770 4.640 0.000 0.000 0.248 78 D C 1.148 177.472 176.300 0.041 0.000 1.154 78 D CA 0.245 54.294 54.000 0.082 0.000 0.857 78 D CB 1.596 42.407 40.800 0.019 0.000 1.117 78 D HN 0.680 nan 8.370 nan 0.000 0.468 79 T N 1.046 115.619 114.554 0.033 0.000 3.035 79 T HA 0.146 4.496 4.350 0.000 0.000 0.268 79 T C 1.581 176.286 174.700 0.007 0.000 1.109 79 T CA 0.717 62.829 62.100 0.020 0.000 1.119 79 T CB -0.185 68.696 68.868 0.022 0.000 0.900 79 T HN 0.672 nan 8.240 nan 0.000 0.503 80 G N -0.029 108.769 108.800 -0.003 0.000 2.199 80 G HA2 0.123 4.083 3.960 0.000 0.000 0.254 80 G HA3 0.123 4.083 3.960 0.000 0.000 0.254 80 G C 0.425 175.316 174.900 -0.015 0.000 0.982 80 G CA -0.281 44.809 45.100 -0.016 0.000 0.632 80 G HN 1.414 nan 8.290 nan 0.000 0.529 81 G N -1.201 107.596 108.800 -0.005 0.000 2.550 81 G HA2 0.721 4.681 3.960 0.000 0.000 0.293 81 G HA3 0.721 4.681 3.960 0.000 0.000 0.293 81 G C -3.212 171.698 174.900 0.016 0.000 1.402 81 G CA -0.199 44.901 45.100 -0.000 0.000 0.784 81 G HN 0.204 nan 8.290 nan 0.000 0.482 82 P HA 0.240 nan 4.420 nan 0.000 0.270 82 P C 0.293 177.638 177.300 0.076 0.000 1.227 82 P CA -0.313 62.834 63.100 0.079 0.000 0.788 82 P CB 0.490 32.271 31.700 0.135 0.000 0.926 83 I N 0.339 120.970 120.570 0.101 0.000 2.826 83 I HA -0.106 4.064 4.170 0.000 0.000 0.295 83 I C 0.689 176.824 176.117 0.031 0.000 1.213 83 I CA 1.366 62.701 61.300 0.059 0.000 1.436 83 I CB -0.153 37.881 38.000 0.057 0.000 1.348 83 I HN 0.212 nan 8.210 nan 0.000 0.570 84 S N 5.527 121.233 115.700 0.010 0.000 2.475 84 S HA 0.626 5.096 4.470 0.000 0.000 0.298 84 S C -0.444 174.141 174.600 -0.025 0.000 1.119 84 S CA -0.811 57.382 58.200 -0.012 0.000 1.085 84 S CB 1.685 64.875 63.200 -0.017 0.000 1.028 84 S HN 0.464 nan 8.310 nan 0.000 0.489 85 V N 0.809 120.696 119.914 -0.044 0.000 2.715 85 V HA 0.735 4.855 4.120 0.000 0.000 0.310 85 V C -2.753 173.288 176.094 -0.089 0.000 1.054 85 V CA -3.004 59.264 62.300 -0.054 0.000 0.928 85 V CB 1.336 33.129 31.823 -0.050 0.000 1.007 85 V HN 0.604 nan 8.190 nan 0.000 0.437 86 P HA 0.316 nan 4.420 nan 0.000 0.271 86 P C -0.432 176.766 177.300 -0.170 0.000 1.218 86 P CA 0.145 63.175 63.100 -0.117 0.000 0.780 86 P CB 1.464 33.120 31.700 -0.073 0.000 0.901 87 V N -1.551 118.184 119.914 -0.299 0.000 3.141 87 V HA 0.964 5.084 4.120 0.000 0.000 0.312 87 V C 0.249 176.061 176.094 -0.470 0.000 1.157 87 V CA -0.057 61.968 62.300 -0.458 0.000 1.041 87 V CB 1.024 32.366 31.823 -0.802 0.000 1.071 87 V HN 1.007 nan 8.190 nan 0.000 0.441 88 G N 1.430 109.978 108.800 -0.420 0.000 2.451 88 G HA2 -0.152 3.808 3.960 0.000 0.000 0.208 88 G HA3 -0.152 3.808 3.960 0.000 0.000 0.208 88 G C 0.237 175.164 174.900 0.046 0.000 1.248 88 G CA 0.283 45.296 45.100 -0.145 0.000 0.989 88 G HN 0.951 nan 8.290 nan 0.000 0.559 89 R N 0.278 120.873 120.500 0.158 0.000 2.276 89 R HA 0.064 4.404 4.340 0.000 0.000 0.203 89 R C 1.979 178.305 176.300 0.042 0.000 1.017 89 R CA 0.949 57.129 56.100 0.133 0.000 1.010 89 R CB -0.112 30.251 30.300 0.106 0.000 0.900 89 R HN 0.465 nan 8.270 nan 0.000 0.469 90 E N -0.281 119.940 120.200 0.035 0.000 2.409 90 E HA -0.098 4.252 4.350 0.000 0.000 0.198 90 E C 1.498 178.107 176.600 0.016 0.000 1.024 90 E CA 1.327 57.733 56.400 0.011 0.000 0.861 90 E CB 0.112 29.808 29.700 -0.006 0.000 0.788 90 E HN 0.398 nan 8.360 nan 0.000 0.521 91 T N -2.149 112.432 114.554 0.046 0.000 3.107 91 T HA 0.164 4.514 4.350 0.000 0.000 0.249 91 T C 1.066 175.792 174.700 0.043 0.000 1.096 91 T CA -0.203 61.931 62.100 0.056 0.000 1.012 91 T CB -0.034 68.890 68.868 0.093 0.000 0.977 91 T HN -0.067 nan 8.240 nan 0.000 0.527 92 L N 1.827 123.046 121.223 -0.005 0.000 2.410 92 L HA 0.461 4.801 4.340 0.000 0.000 0.273 92 L C 1.658 178.515 176.870 -0.021 0.000 1.144 92 L CA 0.729 55.520 54.840 -0.081 0.000 0.863 92 L CB 0.252 42.171 42.059 -0.233 0.000 1.140 92 L HN 0.546 nan 8.230 nan 0.000 0.463 93 G N 2.224 111.030 108.800 0.011 0.000 2.184 93 G HA2 -0.226 3.734 3.960 0.000 0.000 0.264 93 G HA3 -0.226 3.734 3.960 0.000 0.000 0.264 93 G C 0.351 175.322 174.900 0.119 0.000 0.975 93 G CA -0.247 44.891 45.100 0.064 0.000 0.642 93 G HN 0.495 nan 8.290 nan 0.000 0.536 94 R N -0.118 120.432 120.500 0.084 0.000 2.598 94 R HA 0.719 5.059 4.340 0.000 0.000 0.279 94 R C 0.344 176.684 176.300 0.066 0.000 0.984 94 R CA -0.955 55.190 56.100 0.075 0.000 0.999 94 R CB 0.854 31.179 30.300 0.042 0.000 1.114 94 R HN 0.304 nan 8.270 nan 0.000 0.493 95 I N 2.844 123.427 120.570 0.023 0.000 2.359 95 I HA 0.418 4.589 4.170 0.000 0.000 0.294 95 I C 0.154 176.291 176.117 0.033 0.000 0.987 95 I CA -0.475 60.841 61.300 0.027 0.000 1.225 95 I CB 1.064 39.033 38.000 -0.051 0.000 1.366 95 I HN 0.266 nan 8.210 nan 0.000 0.466 96 I N 5.430 126.030 120.570 0.051 0.000 2.569 96 I HA 0.325 4.495 4.170 0.000 0.000 0.296 96 I C -0.366 175.788 176.117 0.061 0.000 1.028 96 I CA -0.759 60.563 61.300 0.037 0.000 1.082 96 I CB 1.951 39.962 38.000 0.018 0.000 1.264 96 I HN 0.638 nan 8.210 nan 0.000 0.429 97 N N 4.124 122.853 118.700 0.049 0.000 2.448 97 N HA 0.167 4.907 4.740 0.000 0.000 0.274 97 N C 0.663 176.196 175.510 0.039 0.000 1.239 97 N CA -0.804 52.281 53.050 0.059 0.000 0.982 97 N CB 0.582 39.095 38.487 0.044 0.000 1.199 97 N HN 0.369 nan 8.380 nan 0.000 0.576 98 V N -0.221 119.718 119.914 0.040 0.000 2.370 98 V HA -0.198 3.922 4.120 0.000 0.000 0.252 98 V C 1.360 177.462 176.094 0.013 0.000 1.068 98 V CA 2.081 64.396 62.300 0.025 0.000 1.061 98 V CB -0.805 31.034 31.823 0.028 0.000 0.656 98 V HN 0.696 nan 8.190 nan 0.000 0.455 99 I N -1.598 118.981 120.570 0.015 0.000 3.837 99 I HA 0.560 4.731 4.170 0.000 0.000 0.332 99 I C 1.059 177.178 176.117 0.004 0.000 1.484 99 I CA 0.241 61.547 61.300 0.011 0.000 1.223 99 I CB -0.578 37.431 38.000 0.015 0.000 1.257 99 I HN 0.249 nan 8.210 nan 0.000 0.421 100 G N 1.251 110.050 108.800 -0.000 0.000 2.356 100 G HA2 -0.274 3.686 3.960 0.000 0.000 0.296 100 G HA3 -0.274 3.686 3.960 0.000 0.000 0.296 100 G C -0.155 174.743 174.900 -0.005 0.000 1.022 100 G CA 0.339 45.434 45.100 -0.008 0.000 0.961 100 G HN 0.733 nan 8.290 nan 0.000 0.510 101 E N 0.146 120.347 120.200 0.003 0.000 2.256 101 E HA 0.446 4.796 4.350 0.000 0.000 0.267 101 E C -2.475 174.128 176.600 0.005 0.000 0.892 101 E CA -2.198 54.204 56.400 0.002 0.000 0.775 101 E CB 2.565 32.267 29.700 0.004 0.000 1.207 101 E HN 0.153 nan 8.360 nan 0.000 0.420 102 P HA 0.165 nan 4.420 nan 0.000 0.277 102 P C 0.221 177.518 177.300 -0.005 0.000 1.240 102 P CA 0.007 63.107 63.100 0.001 0.000 0.798 102 P CB 0.614 32.314 31.700 -0.000 0.000 0.979 103 I N -1.785 118.776 120.570 -0.016 0.000 4.102 103 I HA 0.238 4.408 4.170 0.000 0.000 0.325 103 I C 0.095 176.168 176.117 -0.072 0.000 1.471 103 I CA -0.210 61.071 61.300 -0.033 0.000 1.133 103 I CB 0.101 38.089 38.000 -0.021 0.000 1.184 103 I HN 0.031 nan 8.210 nan 0.000 0.451 104 D N 0.880 121.236 120.400 -0.074 0.000 2.339 104 D HA -0.028 4.612 4.640 0.000 0.000 0.217 104 D C 0.504 176.787 176.300 -0.029 0.000 1.050 104 D CA 0.084 54.025 54.000 -0.099 0.000 0.856 104 D CB -0.204 40.535 40.800 -0.102 0.000 0.922 104 D HN 0.528 nan 8.370 nan 0.000 0.518 105 E N -0.441 119.747 120.200 -0.019 0.000 2.722 105 E HA -0.265 4.085 4.350 0.000 0.000 0.265 105 E C 0.310 176.917 176.600 0.011 0.000 1.081 105 E CA 0.311 56.709 56.400 -0.003 0.000 0.781 105 E CB -1.141 28.558 29.700 -0.003 0.000 1.372 105 E HN 0.400 nan 8.360 nan 0.000 0.423 106 R N 0.262 120.772 120.500 0.017 0.000 2.426 106 R HA 0.243 4.583 4.340 0.000 0.000 0.263 106 R C 0.989 177.299 176.300 0.018 0.000 0.961 106 R CA 0.567 56.682 56.100 0.026 0.000 1.086 106 R CB 0.759 31.086 30.300 0.044 0.000 1.186 106 R HN 0.328 nan 8.270 nan 0.000 0.537 107 G N 2.428 111.234 108.800 0.011 0.000 2.728 107 G HA2 -0.204 3.756 3.960 0.000 0.000 0.294 107 G HA3 -0.204 3.756 3.960 0.000 0.000 0.294 107 G C -2.766 172.137 174.900 0.006 0.000 1.342 107 G CA -1.084 44.021 45.100 0.008 0.000 0.866 107 G HN 0.089 nan 8.290 nan 0.000 0.534 108 P HA 0.510 nan 4.420 nan 0.000 0.284 108 P C 0.040 177.339 177.300 -0.001 0.000 1.253 108 P CA -0.461 62.639 63.100 -0.000 0.000 0.800 108 P CB 0.825 32.524 31.700 -0.002 0.000 0.961 109 I N 3.520 124.088 120.570 -0.004 0.000 2.460 109 I HA 0.018 4.188 4.170 0.000 0.000 0.297 109 I C 1.304 177.413 176.117 -0.013 0.000 1.139 109 I CA 0.166 61.462 61.300 -0.006 0.000 1.340 109 I CB -0.175 37.819 38.000 -0.009 0.000 1.444 109 I HN 0.069 nan 8.210 nan 0.000 0.557 110 K N 5.617 126.012 120.400 -0.009 0.000 2.715 110 K HA 0.089 4.409 4.320 0.000 0.000 0.248 110 K C 0.413 177.003 176.600 -0.017 0.000 1.276 110 K CA -0.143 56.138 56.287 -0.011 0.000 1.209 110 K CB -0.239 32.259 32.500 -0.003 0.000 1.509 110 K HN 0.635 nan 8.250 nan 0.000 0.261 111 S N -0.480 115.201 115.700 -0.033 0.000 2.687 111 S HA 0.266 4.737 4.470 0.000 0.000 0.283 111 S C 0.919 175.488 174.600 -0.052 0.000 1.170 111 S CA -0.812 57.358 58.200 -0.049 0.000 1.008 111 S CB 1.813 64.960 63.200 -0.089 0.000 1.026 111 S HN 0.286 nan 8.310 nan 0.000 0.541 112 K N 0.155 120.523 120.400 -0.053 0.000 2.186 112 K HA 0.259 4.579 4.320 0.000 0.000 0.202 112 K C 0.003 176.563 176.600 -0.067 0.000 1.052 112 K CA 0.639 56.901 56.287 -0.041 0.000 0.965 112 K CB -0.342 32.148 32.500 -0.016 0.000 0.746 112 K HN 0.486 nan 8.250 nan 0.000 0.457 113 L N 1.339 122.488 121.223 -0.123 0.000 2.342 113 L HA 0.420 4.760 4.340 0.000 0.000 0.271 113 L C -0.068 176.684 176.870 -0.196 0.000 1.008 113 L CA -0.962 53.782 54.840 -0.159 0.000 0.818 113 L CB 1.917 43.851 42.059 -0.209 0.000 1.296 113 L HN -0.043 nan 8.230 nan 0.000 0.427 114 R N 1.438 121.851 120.500 -0.145 0.000 2.856 114 R HA 0.694 5.034 4.340 0.000 0.000 0.258 114 R C -0.964 175.254 176.300 -0.137 0.000 1.066 114 R CA -1.039 54.978 56.100 -0.139 0.000 1.045 114 R CB 2.016 32.267 30.300 -0.082 0.000 1.178 114 R HN 0.449 nan 8.270 nan 0.000 0.499 115 K N 0.983 121.315 120.400 -0.115 0.000 2.527 115 K HA 0.365 4.685 4.320 0.000 0.000 0.260 115 K C -2.804 173.771 176.600 -0.041 0.000 0.937 115 K CA -1.994 54.245 56.287 -0.081 0.000 0.826 115 K CB 2.624 35.061 32.500 -0.104 0.000 1.359 115 K HN 0.297 nan 8.250 nan 0.000 0.434 116 P HA 0.130 nan 4.420 nan 0.000 0.271 116 P C 0.634 177.940 177.300 0.010 0.000 1.216 116 P CA -0.220 62.892 63.100 0.020 0.000 0.776 116 P CB 0.344 32.070 31.700 0.044 0.000 0.881 117 I N -0.722 119.846 120.570 -0.003 0.000 2.852 117 I HA 0.080 4.250 4.170 0.000 0.000 0.264 117 I C 0.459 176.483 176.117 -0.154 0.000 1.179 117 I CA 0.563 61.808 61.300 -0.092 0.000 1.480 117 I CB -0.503 37.413 38.000 -0.140 0.000 1.111 117 I HN 0.238 nan 8.210 nan 0.000 0.441 118 H N 2.667 121.742 119.070 0.009 0.000 2.580 118 H HA 0.753 5.309 4.556 0.000 0.000 0.322 118 H C -0.335 174.996 175.328 0.004 0.000 1.082 118 H CA 0.022 56.077 56.048 0.011 0.000 1.383 118 H CB 1.459 31.229 29.762 0.013 0.000 1.450 118 H HN 0.451 nan 8.280 nan 0.000 0.505 119 A N 3.181 126.066 122.820 0.108 0.000 2.599 119 A HA 0.286 4.606 4.320 0.000 0.000 0.290 119 A C -1.056 176.559 177.584 0.050 0.000 1.101 119 A CA -0.938 51.137 52.037 0.062 0.000 0.674 119 A CB 1.623 20.644 19.000 0.035 0.000 1.277 119 A HN 0.577 nan 8.150 nan 0.000 0.419 120 D N 1.538 121.960 120.400 0.036 0.000 2.264 120 D HA 0.549 5.189 4.640 0.000 0.000 0.249 120 D C -2.283 174.031 176.300 0.022 0.000 1.070 120 D CA -0.507 53.511 54.000 0.031 0.000 0.912 120 D CB 1.127 41.943 40.800 0.026 0.000 1.193 120 D HN 0.292 nan 8.370 nan 0.000 0.427 121 P HA 0.325 nan 4.420 nan 0.000 0.284 121 P C -2.599 174.713 177.300 0.021 0.000 1.253 121 P CA -1.403 61.707 63.100 0.016 0.000 0.800 121 P CB -0.167 31.545 31.700 0.020 0.000 0.961 122 P HA -0.009 nan 4.420 nan 0.000 0.264 122 P C 0.258 177.575 177.300 0.028 0.000 1.183 122 P CA 0.268 63.374 63.100 0.011 0.000 0.763 122 P CB 0.050 31.746 31.700 -0.007 0.000 0.807 123 S N 2.824 118.546 115.700 0.037 0.000 2.566 123 S HA -0.063 4.407 4.470 0.000 0.000 0.280 123 S C 1.049 175.706 174.600 0.095 0.000 1.343 123 S CA -0.448 57.797 58.200 0.075 0.000 1.036 123 S CB -0.139 63.102 63.200 0.068 0.000 0.866 123 S HN 0.438 nan 8.310 nan 0.000 0.526 124 F N 2.500 122.451 119.950 0.002 0.000 2.111 124 F HA -0.243 4.284 4.527 -0.000 0.000 0.300 124 F C 2.283 178.083 175.800 -0.000 0.000 1.088 124 F CA 2.107 60.108 58.000 0.002 0.000 1.243 124 F CB -0.876 38.125 39.000 0.002 0.000 0.996 124 F HN 0.758 nan 8.300 nan 0.000 0.483 125 A N -0.902 121.966 122.820 0.080 0.000 2.206 125 A HA -0.037 4.283 4.320 0.000 0.000 0.211 125 A C 1.906 179.440 177.584 -0.083 0.000 1.158 125 A CA 1.046 53.071 52.037 -0.019 0.000 0.761 125 A CB -0.691 18.365 19.000 0.095 0.000 0.801 125 A HN 0.573 nan 8.150 nan 0.000 0.473 126 E N -0.003 120.152 120.200 -0.075 0.000 2.489 126 E HA 0.004 4.354 4.350 0.000 0.000 0.193 126 E C 0.098 176.638 176.600 -0.100 0.000 1.057 126 E CA -0.184 56.176 56.400 -0.068 0.000 0.866 126 E CB 0.155 29.834 29.700 -0.034 0.000 0.916 126 E HN 0.591 nan 8.360 nan 0.000 0.500 127 Q N 0.095 119.793 119.800 -0.170 0.000 2.394 127 Q HA 0.180 4.520 4.340 0.000 0.000 0.248 127 Q C -0.389 175.524 176.000 -0.146 0.000 0.992 127 Q CA 0.300 55.999 55.803 -0.174 0.000 0.888 127 Q CB 1.732 30.306 28.738 -0.273 0.000 1.257 127 Q HN -0.101 nan 8.270 nan 0.000 0.462 128 S N 0.755 116.390 115.700 -0.108 0.000 2.789 128 S HA 0.279 4.749 4.470 0.000 0.000 0.286 128 S C -0.930 173.628 174.600 -0.069 0.000 1.153 128 S CA -0.630 57.521 58.200 -0.082 0.000 1.084 128 S CB 0.594 63.757 63.200 -0.061 0.000 1.036 128 S HN 0.561 nan 8.310 nan 0.000 0.484 129 T N 1.714 116.227 114.554 -0.068 0.000 2.743 129 T HA 0.689 5.039 4.350 0.000 0.000 0.293 129 T C -0.092 174.587 174.700 -0.035 0.000 0.945 129 T CA -0.651 61.420 62.100 -0.049 0.000 1.030 129 T CB 1.020 69.860 68.868 -0.047 0.000 0.912 129 T HN 0.590 nan 8.240 nan 0.000 0.483 130 S N 1.423 117.107 115.700 -0.026 0.000 2.575 130 S HA 0.653 5.123 4.470 0.000 0.000 0.278 130 S C -0.283 174.310 174.600 -0.012 0.000 1.139 130 S CA -0.925 57.264 58.200 -0.019 0.000 0.954 130 S CB 1.536 64.724 63.200 -0.019 0.000 1.054 130 S HN 1.200 nan 8.310 nan 0.000 0.483 131 A N 2.451 125.265 122.820 -0.010 0.000 3.215 131 A HA 0.477 4.797 4.320 0.000 0.000 0.269 131 A C 0.270 177.851 177.584 -0.005 0.000 1.517 131 A CA -0.453 51.581 52.037 -0.006 0.000 1.221 131 A CB -0.498 18.497 19.000 -0.008 0.000 1.160 131 A HN 0.835 nan 8.150 nan 0.000 0.620 132 E N 0.595 120.794 120.200 -0.001 0.000 2.222 132 E HA 0.581 4.931 4.350 0.000 0.000 0.272 132 E C -1.283 175.324 176.600 0.013 0.000 0.982 132 E CA -0.616 55.786 56.400 0.002 0.000 0.842 132 E CB 1.299 31.000 29.700 0.002 0.000 1.144 132 E HN 0.535 nan 8.360 nan 0.000 0.397 133 I N 4.352 124.930 120.570 0.013 0.000 2.404 133 I HA 0.228 4.398 4.170 0.000 0.000 0.293 133 I C -1.363 174.779 176.117 0.042 0.000 0.992 133 I CA -0.884 60.429 61.300 0.023 0.000 1.149 133 I CB 1.152 39.148 38.000 -0.007 0.000 1.315 133 I HN 0.415 nan 8.210 nan 0.000 0.446 134 L N 7.884 129.151 121.223 0.073 0.000 2.277 134 L HA 0.456 4.796 4.340 0.000 0.000 0.284 134 L C -0.238 176.691 176.870 0.098 0.000 1.028 134 L CA 0.012 54.907 54.840 0.092 0.000 0.835 134 L CB 1.099 43.227 42.059 0.114 0.000 1.215 134 L HN 0.607 nan 8.230 nan 0.000 0.425 135 E N 2.346 122.588 120.200 0.070 0.000 2.351 135 E HA 0.024 4.374 4.350 0.000 0.000 0.266 135 E C 0.497 177.135 176.600 0.063 0.000 1.031 135 E CA 0.572 57.004 56.400 0.054 0.000 0.911 135 E CB 0.910 30.637 29.700 0.045 0.000 0.986 135 E HN 0.856 nan 8.360 nan 0.000 0.446 136 T N 1.247 115.827 114.554 0.043 0.000 3.009 136 T HA 0.181 4.531 4.350 0.000 0.000 0.258 136 T C 1.444 176.148 174.700 0.006 0.000 1.063 136 T CA 0.581 62.710 62.100 0.049 0.000 1.139 136 T CB 0.160 69.051 68.868 0.038 0.000 0.890 136 T HN 0.697 nan 8.240 nan 0.000 0.471 137 G N 1.528 110.327 108.800 -0.001 0.000 2.213 137 G HA2 -0.169 3.791 3.960 0.000 0.000 0.236 137 G HA3 -0.169 3.791 3.960 0.000 0.000 0.236 137 G C 0.057 174.951 174.900 -0.010 0.000 0.991 137 G CA -0.047 45.049 45.100 -0.007 0.000 0.629 137 G HN 0.655 nan 8.290 nan 0.000 0.517 138 I N 1.564 122.121 120.570 -0.022 0.000 2.312 138 I HA 0.245 4.415 4.170 0.000 0.000 0.291 138 I C 1.646 177.769 176.117 0.011 0.000 1.031 138 I CA -0.635 60.674 61.300 0.016 0.000 1.293 138 I CB 1.296 39.295 38.000 -0.001 0.000 1.403 138 I HN -0.004 nan 8.210 nan 0.000 0.484 139 K N 3.606 124.010 120.400 0.007 0.000 2.034 139 K HA -0.202 4.118 4.320 0.000 0.000 0.214 139 K C 1.858 178.413 176.600 -0.075 0.000 1.051 139 K CA 1.522 57.784 56.287 -0.041 0.000 0.931 139 K CB -0.061 32.383 32.500 -0.093 0.000 0.715 139 K HN 0.600 nan 8.250 nan 0.000 0.446 140 V N 0.957 120.850 119.914 -0.035 0.000 2.358 140 V HA -0.193 3.927 4.120 0.000 0.000 0.246 140 V C 2.039 178.088 176.094 -0.074 0.000 1.047 140 V CA 1.482 63.742 62.300 -0.066 0.000 1.035 140 V CB -0.003 31.827 31.823 0.012 0.000 0.658 140 V HN 0.119 nan 8.190 nan 0.000 0.452 141 V N 0.723 120.607 119.914 -0.050 0.000 2.237 141 V HA -0.229 3.891 4.120 0.000 0.000 0.245 141 V C 2.386 178.383 176.094 -0.161 0.000 1.046 141 V CA 2.527 64.720 62.300 -0.178 0.000 1.007 141 V CB -0.997 30.598 31.823 -0.381 0.000 0.638 141 V HN 0.559 nan 8.190 nan 0.000 0.445 142 D N -0.194 120.138 120.400 -0.113 0.000 2.263 142 D HA -0.109 4.531 4.640 0.000 0.000 0.208 142 D C 1.867 178.194 176.300 0.045 0.000 0.971 142 D CA 0.952 54.934 54.000 -0.030 0.000 0.867 142 D CB -0.118 40.681 40.800 -0.002 0.000 0.929 142 D HN 0.389 nan 8.370 nan 0.000 0.492 143 L N -0.360 120.816 121.223 -0.078 0.000 2.102 143 L HA 0.068 4.408 4.340 0.000 0.000 0.202 143 L C 1.849 178.665 176.870 -0.090 0.000 1.076 143 L CA 1.382 56.112 54.840 -0.183 0.000 0.761 143 L CB -0.181 41.597 42.059 -0.467 0.000 0.921 143 L HN -0.055 nan 8.230 nan 0.000 0.444 144 L N -1.060 120.096 121.223 -0.112 0.000 2.425 144 L HA 0.369 4.709 4.340 0.000 0.000 0.215 144 L C 0.658 177.508 176.870 -0.033 0.000 1.065 144 L CA 0.510 55.293 54.840 -0.095 0.000 0.842 144 L CB 0.088 42.070 42.059 -0.128 0.000 1.033 144 L HN 0.248 nan 8.230 nan 0.000 0.474 145 A N 0.765 123.568 122.820 -0.028 0.000 3.409 145 A HA 0.431 4.751 4.320 0.000 0.000 0.282 145 A C -2.657 174.919 177.584 -0.013 0.000 1.064 145 A CA -0.837 51.204 52.037 0.008 0.000 0.889 145 A CB -0.138 18.881 19.000 0.032 0.000 1.251 145 A HN -0.157 nan 8.150 nan 0.000 0.538 146 P HA 0.203 nan 4.420 nan 0.000 0.276 146 P C -0.852 176.498 177.300 0.084 0.000 1.235 146 P CA 0.246 63.326 63.100 -0.033 0.000 0.772 146 P CB 0.415 32.108 31.700 -0.012 0.000 0.871 147 Y N 1.420 121.753 120.300 0.054 0.000 2.425 147 Y HA 0.290 4.840 4.550 0.000 0.000 0.331 147 Y C 1.251 177.165 175.900 0.024 0.000 1.157 147 Y CA -1.021 57.106 58.100 0.044 0.000 1.372 147 Y CB -0.169 38.327 38.460 0.060 0.000 1.253 147 Y HN 0.391 nan 8.280 nan 0.000 0.536 148 A N 5.198 128.126 122.820 0.179 0.000 2.260 148 A HA 0.465 4.785 4.320 0.000 0.000 0.308 148 A C 0.373 177.986 177.584 0.048 0.000 1.254 148 A CA -0.891 51.197 52.037 0.084 0.000 0.874 148 A CB 0.101 19.134 19.000 0.053 0.000 1.153 148 A HN 0.848 nan 8.150 nan 0.000 0.527 149 R N 1.554 122.079 120.500 0.042 0.000 2.585 149 R HA 0.294 4.634 4.340 0.000 0.000 0.275 149 R C 1.490 177.790 176.300 -0.000 0.000 1.018 149 R CA 1.855 57.969 56.100 0.023 0.000 1.072 149 R CB 0.126 30.444 30.300 0.030 0.000 0.953 149 R HN 1.594 nan 8.270 nan 0.000 0.419 150 G N 2.052 110.840 108.800 -0.019 0.000 2.284 150 G HA2 -0.287 3.673 3.960 0.000 0.000 0.261 150 G HA3 -0.287 3.673 3.960 0.000 0.000 0.261 150 G C 0.502 175.376 174.900 -0.044 0.000 0.997 150 G CA 0.101 45.182 45.100 -0.032 0.000 0.621 150 G HN 0.931 nan 8.290 nan 0.000 0.534 151 G N -0.384 108.393 108.800 -0.040 0.000 2.640 151 G HA2 0.518 4.478 3.960 0.000 0.000 0.269 151 G HA3 0.518 4.478 3.960 0.000 0.000 0.269 151 G C -0.073 174.778 174.900 -0.081 0.000 1.267 151 G CA 0.120 45.195 45.100 -0.041 0.000 0.979 151 G HN 0.499 nan 8.290 nan 0.000 0.513 152 K N -1.147 119.209 120.400 -0.073 0.000 2.259 152 K HA 0.638 4.958 4.320 0.000 0.000 0.249 152 K C -1.072 175.458 176.600 -0.116 0.000 0.942 152 K CA -0.438 55.786 56.287 -0.106 0.000 0.816 152 K CB 2.127 34.587 32.500 -0.066 0.000 1.155 152 K HN 0.272 nan 8.250 nan 0.000 0.428 153 I N 1.635 122.092 120.570 -0.188 0.000 2.560 153 I HA 0.264 4.434 4.170 0.000 0.000 0.283 153 I C -0.262 175.719 176.117 -0.227 0.000 1.115 153 I CA -0.482 60.663 61.300 -0.259 0.000 1.066 153 I CB 2.165 39.818 38.000 -0.580 0.000 1.221 153 I HN 0.641 nan 8.210 nan 0.000 0.450 154 G N 6.293 115.033 108.800 -0.101 0.000 2.389 154 G HA2 0.738 4.698 3.960 0.000 0.000 0.317 154 G HA3 0.738 4.698 3.960 0.000 0.000 0.317 154 G C -0.709 174.139 174.900 -0.086 0.000 1.137 154 G CA -0.518 44.484 45.100 -0.163 0.000 0.870 154 G HN 0.454 nan 8.290 nan 0.000 0.496 155 L N 2.149 123.219 121.223 -0.256 0.000 2.356 155 L HA 0.356 4.696 4.340 0.000 0.000 0.264 155 L C -0.745 176.021 176.870 -0.174 0.000 1.029 155 L CA -0.472 54.284 54.840 -0.140 0.000 0.897 155 L CB 0.523 42.486 42.059 -0.161 0.000 1.256 155 L HN 0.387 nan 8.230 nan 0.000 0.444 156 F N 1.113 120.987 119.950 -0.127 0.000 2.384 156 F HA 0.689 5.216 4.527 0.000 0.000 0.338 156 F C 1.072 176.833 175.800 -0.065 0.000 1.103 156 F CA -0.494 57.442 58.000 -0.106 0.000 1.157 156 F CB 1.707 40.642 39.000 -0.108 0.000 1.167 156 F HN 0.406 nan 8.300 nan 0.000 0.529 157 G N 1.067 109.913 108.800 0.076 0.000 2.476 157 G HA2 0.447 4.408 3.960 0.000 0.000 0.309 157 G HA3 0.447 4.408 3.960 0.000 0.000 0.309 157 G C -0.726 174.140 174.900 -0.057 0.000 1.575 157 G CA -0.518 44.601 45.100 0.032 0.000 0.913 157 G HN 0.948 nan 8.290 nan 0.000 0.623 158 G N -0.070 108.685 108.800 -0.076 0.000 2.611 158 G HA2 0.682 4.642 3.960 0.000 0.000 0.273 158 G HA3 0.682 4.642 3.960 0.000 0.000 0.273 158 G C 0.793 175.735 174.900 0.070 0.000 1.305 158 G CA 0.387 45.404 45.100 -0.138 0.000 1.010 158 G HN 1.726 nan 8.290 nan 0.000 0.509 159 A N -1.308 121.628 122.820 0.195 0.000 2.477 159 A HA 0.535 4.855 4.320 0.000 0.000 0.246 159 A C 1.466 179.135 177.584 0.141 0.000 1.078 159 A CA 0.896 53.092 52.037 0.265 0.000 0.770 159 A CB -0.395 18.769 19.000 0.273 0.000 1.011 159 A HN 2.559 nan 8.150 nan 0.000 0.494 160 G N 0.801 109.675 108.800 0.125 0.000 2.323 160 G HA2 -0.104 3.856 3.960 0.000 0.000 0.292 160 G HA3 -0.104 3.856 3.960 0.000 0.000 0.292 160 G C 0.540 175.501 174.900 0.102 0.000 1.040 160 G CA 0.953 46.106 45.100 0.089 0.000 0.942 160 G HN 2.174 nan 8.290 nan 0.000 0.506 161 V N -3.958 116.029 119.914 0.122 0.000 3.643 161 V HA 0.694 4.814 4.120 0.000 0.000 0.280 161 V C 1.620 177.846 176.094 0.220 0.000 1.351 161 V CA 0.950 63.339 62.300 0.148 0.000 1.073 161 V CB 0.399 32.282 31.823 0.100 0.000 0.863 161 V HN 2.125 nan 8.190 nan 0.000 0.436 162 G N 0.530 109.446 108.800 0.193 0.000 2.161 162 G HA2 -0.146 3.814 3.960 0.000 0.000 0.140 162 G HA3 -0.146 3.814 3.960 0.000 0.000 0.140 162 G C 0.512 175.578 174.900 0.276 0.000 1.040 162 G CA 0.162 45.401 45.100 0.231 0.000 0.735 162 G HN 0.373 nan 8.290 nan 0.000 0.496 163 K N -0.153 120.371 120.400 0.207 0.000 1.985 163 K HA -0.071 4.249 4.320 0.000 0.000 0.210 163 K C 2.535 179.282 176.600 0.245 0.000 1.047 163 K CA 1.966 58.370 56.287 0.196 0.000 0.932 163 K CB -0.323 32.253 32.500 0.127 0.000 0.716 163 K HN 0.248 nan 8.250 nan 0.000 0.439 164 T N 1.339 116.015 114.554 0.203 0.000 2.746 164 T HA -0.111 4.239 4.350 0.000 0.000 0.267 164 T C 2.049 176.875 174.700 0.209 0.000 1.039 164 T CA 1.112 63.333 62.100 0.202 0.000 1.142 164 T CB -0.203 68.766 68.868 0.168 0.000 0.866 164 T HN -0.049 nan 8.240 nan 0.000 0.444 165 V N 0.920 120.964 119.914 0.215 0.000 2.287 165 V HA -0.154 3.966 4.120 0.000 0.000 0.248 165 V C 1.973 178.220 176.094 0.254 0.000 1.053 165 V CA 1.693 64.131 62.300 0.230 0.000 1.027 165 V CB -0.670 31.297 31.823 0.239 0.000 0.646 165 V HN 0.407 nan 8.190 nan 0.000 0.447 166 F N 0.104 120.181 119.950 0.212 0.000 2.046 166 F HA -0.240 4.287 4.527 0.000 0.000 0.297 166 F C 2.192 178.023 175.800 0.051 0.000 1.123 166 F CA 2.044 60.154 58.000 0.183 0.000 1.199 166 F CB -0.384 38.772 39.000 0.259 0.000 0.972 166 F HN 0.027 nan 8.300 nan 0.000 0.474 167 I N -0.112 120.720 120.570 0.436 0.000 2.315 167 I HA -0.381 3.789 4.170 0.000 0.000 0.251 167 I C 2.214 178.384 176.117 0.089 0.000 1.125 167 I CA 1.602 63.082 61.300 0.299 0.000 1.392 167 I CB -0.269 37.898 38.000 0.277 0.000 1.065 167 I HN 0.370 nan 8.210 nan 0.000 0.424 168 Q N -0.408 119.419 119.800 0.046 0.000 2.137 168 Q HA -0.237 4.103 4.340 0.000 0.000 0.198 168 Q C 2.019 177.935 176.000 -0.140 0.000 0.960 168 Q CA 1.145 56.913 55.803 -0.058 0.000 0.847 168 Q CB -0.028 28.702 28.738 -0.014 0.000 0.915 168 Q HN 0.295 nan 8.270 nan 0.000 0.448 169 E N 1.143 121.208 120.200 -0.225 0.000 2.085 169 E HA -0.162 4.188 4.350 0.000 0.000 0.194 169 E C 1.711 178.108 176.600 -0.338 0.000 0.994 169 E CA 1.068 57.209 56.400 -0.432 0.000 0.801 169 E CB -0.251 28.805 29.700 -1.074 0.000 0.743 169 E HN 0.273 nan 8.360 nan 0.000 0.453 170 L N -0.221 120.864 121.223 -0.229 0.000 1.970 170 L HA -0.230 4.110 4.340 0.000 0.000 0.212 170 L C 2.533 179.380 176.870 -0.039 0.000 1.071 170 L CA 1.543 56.363 54.840 -0.033 0.000 0.751 170 L CB -0.521 41.666 42.059 0.213 0.000 0.889 170 L HN 0.195 nan 8.230 nan 0.000 0.432 171 I N 0.118 120.582 120.570 -0.176 0.000 2.185 171 I HA -0.375 3.795 4.170 0.000 0.000 0.246 171 I C 2.338 178.375 176.117 -0.132 0.000 1.088 171 I CA 1.669 62.806 61.300 -0.272 0.000 1.347 171 I CB -0.474 37.247 38.000 -0.464 0.000 1.041 171 I HN 0.384 nan 8.210 nan 0.000 0.415 172 N N 0.773 119.394 118.700 -0.131 0.000 2.094 172 N HA -0.201 4.539 4.740 0.000 0.000 0.191 172 N C 1.425 176.898 175.510 -0.062 0.000 1.023 172 N CA 1.892 54.884 53.050 -0.097 0.000 0.857 172 N CB -0.092 38.328 38.487 -0.112 0.000 1.013 172 N HN 0.339 nan 8.380 nan 0.000 0.426 173 N N 0.118 118.782 118.700 -0.060 0.000 2.335 173 N HA 0.043 4.784 4.740 0.000 0.000 0.197 173 N C 1.743 177.270 175.510 0.028 0.000 1.045 173 N CA 0.656 53.692 53.050 -0.023 0.000 0.928 173 N CB -0.706 37.756 38.487 -0.040 0.000 1.118 173 N HN 0.087 nan 8.380 nan 0.000 0.471 174 I N 1.995 122.603 120.570 0.062 0.000 2.091 174 I HA -0.244 3.926 4.170 0.000 0.000 0.240 174 I C 2.073 178.268 176.117 0.130 0.000 1.046 174 I CA 1.416 62.786 61.300 0.117 0.000 1.306 174 I CB -1.759 36.348 38.000 0.179 0.000 1.018 174 I HN 0.095 nan 8.210 nan 0.000 0.404 175 A N -0.168 122.721 122.820 0.114 0.000 2.216 175 A HA -0.144 4.176 4.320 0.000 0.000 0.214 175 A C 2.287 179.935 177.584 0.108 0.000 1.160 175 A CA 1.043 53.152 52.037 0.120 0.000 0.725 175 A CB -0.409 18.639 19.000 0.080 0.000 0.784 175 A HN 0.435 nan 8.150 nan 0.000 0.472 176 K N -0.518 119.928 120.400 0.077 0.000 2.056 176 K HA 0.174 4.494 4.320 0.000 0.000 0.205 176 K C 2.152 178.798 176.600 0.077 0.000 1.035 176 K CA 0.815 57.139 56.287 0.062 0.000 0.955 176 K CB -0.231 32.288 32.500 0.031 0.000 0.769 176 K HN 0.313 nan 8.250 nan 0.000 0.447 177 A N 1.330 124.196 122.820 0.076 0.000 2.234 177 A HA -0.146 4.174 4.320 0.000 0.000 0.216 177 A C 0.574 178.206 177.584 0.080 0.000 1.167 177 A CA 0.842 52.917 52.037 0.064 0.000 0.698 177 A CB -0.792 18.243 19.000 0.058 0.000 0.779 177 A HN 0.353 nan 8.150 nan 0.000 0.475 178 H N -0.364 118.718 119.070 0.019 0.000 2.668 178 H HA 0.300 4.857 4.556 0.000 0.000 0.303 178 H C 1.392 176.710 175.328 -0.016 0.000 1.074 178 H CA 0.424 56.476 56.048 0.007 0.000 1.406 178 H CB 1.176 30.956 29.762 0.030 0.000 1.442 178 H HN 0.130 nan 8.280 nan 0.000 0.482 179 G N 3.556 112.080 108.800 -0.460 0.000 2.421 179 G HA2 -0.102 3.858 3.960 0.000 0.000 0.217 179 G HA3 -0.102 3.858 3.960 0.000 0.000 0.217 179 G C 0.964 175.638 174.900 -0.376 0.000 1.143 179 G CA 0.488 45.389 45.100 -0.331 0.000 0.784 179 G HN 0.679 nan 8.290 nan 0.000 0.541 180 G N -0.566 107.859 108.800 -0.625 0.000 2.666 180 G HA2 0.473 4.433 3.960 0.000 0.000 0.207 180 G HA3 0.473 4.433 3.960 0.000 0.000 0.207 180 G C -0.647 174.161 174.900 -0.154 0.000 1.481 180 G CA -0.690 44.132 45.100 -0.463 0.000 1.071 180 G HN 0.013 nan 8.290 nan 0.000 0.572 181 F N -1.023 118.960 119.950 0.054 0.000 2.557 181 F HA 0.762 5.289 4.527 0.000 0.000 0.336 181 F C 0.518 176.241 175.800 -0.127 0.000 1.058 181 F CA -1.374 56.542 58.000 -0.140 0.000 0.988 181 F CB 1.927 40.587 39.000 -0.566 0.000 1.275 181 F HN 0.176 nan 8.300 nan 0.000 0.488 182 S N 0.109 115.850 115.700 0.068 0.000 2.540 182 S HA 0.708 5.178 4.470 0.000 0.000 0.275 182 S C -1.384 173.246 174.600 0.050 0.000 1.123 182 S CA -0.708 57.518 58.200 0.044 0.000 0.907 182 S CB 2.090 65.381 63.200 0.150 0.000 1.081 182 S HN 0.291 nan 8.310 nan 0.000 0.476 183 V N 2.947 122.904 119.914 0.072 0.000 2.513 183 V HA 0.602 4.722 4.120 0.000 0.000 0.299 183 V C -0.868 175.339 176.094 0.189 0.000 1.035 183 V CA -0.764 61.593 62.300 0.095 0.000 0.889 183 V CB 1.315 33.172 31.823 0.056 0.000 0.988 183 V HN 0.844 nan 8.190 nan 0.000 0.440 184 F N 2.340 122.301 119.950 0.019 0.000 2.444 184 F HA 0.630 5.157 4.527 0.000 0.000 0.342 184 F C 0.253 175.944 175.800 -0.182 0.000 1.121 184 F CA -0.012 57.983 58.000 -0.007 0.000 0.997 184 F CB 1.697 40.659 39.000 -0.062 0.000 1.130 184 F HN 0.509 nan 8.300 nan 0.000 0.454 185 T N 4.687 118.947 114.554 -0.489 0.000 2.758 185 T HA 0.435 4.785 4.350 0.000 0.000 0.285 185 T C 0.128 174.632 174.700 -0.327 0.000 0.981 185 T CA -0.578 61.318 62.100 -0.340 0.000 0.965 185 T CB 1.197 69.924 68.868 -0.235 0.000 0.927 185 T HN 0.831 nan 8.240 nan 0.000 0.448 186 G N 2.109 110.889 108.800 -0.033 0.000 2.475 186 G HA2 0.490 4.450 3.960 0.000 0.000 0.322 186 G HA3 0.490 4.450 3.960 0.000 0.000 0.322 186 G C -0.327 174.716 174.900 0.238 0.000 1.044 186 G CA -0.433 44.886 45.100 0.364 0.000 1.047 186 G HN 0.659 nan 8.290 nan 0.000 0.436 187 V N 2.663 122.663 119.914 0.144 0.000 2.259 187 V HA 0.586 4.706 4.120 0.000 0.000 0.267 187 V C 1.096 177.263 176.094 0.120 0.000 1.051 187 V CA 0.149 62.515 62.300 0.111 0.000 0.830 187 V CB 0.373 32.236 31.823 0.067 0.000 1.080 187 V HN 1.280 nan 8.190 nan 0.000 0.467 188 G N 2.885 111.759 108.800 0.124 0.000 2.256 188 G HA2 -0.166 3.794 3.960 0.000 0.000 0.272 188 G HA3 -0.166 3.794 3.960 0.000 0.000 0.272 188 G C 0.046 175.001 174.900 0.091 0.000 1.076 188 G CA 0.150 45.302 45.100 0.088 0.000 0.882 188 G HN 0.543 nan 8.290 nan 0.000 0.497 189 E N -0.570 119.705 120.200 0.124 0.000 2.808 189 E HA 0.494 4.844 4.350 0.000 0.000 0.213 189 E C 0.918 177.559 176.600 0.069 0.000 0.784 189 E CA -0.740 55.726 56.400 0.110 0.000 1.154 189 E CB 0.517 30.319 29.700 0.170 0.000 1.693 189 E HN 0.433 nan 8.360 nan 0.000 0.422 190 R N 0.406 120.940 120.500 0.057 0.000 2.207 190 R HA 0.285 4.625 4.340 0.000 0.000 0.334 190 R C 1.063 177.343 176.300 -0.034 0.000 1.013 190 R CA -0.072 56.036 56.100 0.014 0.000 0.858 190 R CB 0.489 30.800 30.300 0.019 0.000 1.094 190 R HN 0.367 nan 8.270 nan 0.000 0.457 191 T N 2.947 117.463 114.554 -0.063 0.000 2.684 191 T HA -0.288 4.062 4.350 0.000 0.000 0.267 191 T C 1.758 176.363 174.700 -0.157 0.000 1.032 191 T CA 2.272 64.289 62.100 -0.139 0.000 1.155 191 T CB -0.150 68.653 68.868 -0.108 0.000 0.857 191 T HN 0.648 nan 8.240 nan 0.000 0.457 192 R N 1.246 121.694 120.500 -0.087 0.000 2.115 192 R HA 0.038 4.378 4.340 0.000 0.000 0.230 192 R C 2.130 178.391 176.300 -0.066 0.000 1.111 192 R CA 1.487 57.544 56.100 -0.070 0.000 0.976 192 R CB -0.361 29.919 30.300 -0.033 0.000 0.870 192 R HN 0.408 nan 8.270 nan 0.000 0.445 193 E N 0.971 121.145 120.200 -0.044 0.000 2.038 193 E HA -0.142 4.208 4.350 0.000 0.000 0.195 193 E C 2.250 178.807 176.600 -0.071 0.000 1.000 193 E CA 1.395 57.785 56.400 -0.017 0.000 0.803 193 E CB -0.377 29.351 29.700 0.046 0.000 0.750 193 E HN 0.598 nan 8.360 nan 0.000 0.448 194 G N 1.163 109.861 108.800 -0.171 0.000 2.513 194 G HA2 -0.421 3.539 3.960 0.000 0.000 0.219 194 G HA3 -0.421 3.539 3.960 0.000 0.000 0.219 194 G C 1.372 176.106 174.900 -0.277 0.000 1.160 194 G CA 1.397 46.247 45.100 -0.417 0.000 0.767 194 G HN 0.244 nan 8.290 nan 0.000 0.571 195 N N 0.845 119.410 118.700 -0.224 0.000 2.036 195 N HA -0.157 4.583 4.740 0.000 0.000 0.195 195 N C 1.799 177.300 175.510 -0.015 0.000 1.037 195 N CA 2.051 55.044 53.050 -0.095 0.000 0.855 195 N CB -0.245 38.193 38.487 -0.082 0.000 1.033 195 N HN 0.246 nan 8.380 nan 0.000 0.423 196 D N -0.033 120.345 120.400 -0.036 0.000 2.116 196 D HA -0.171 4.469 4.640 0.000 0.000 0.193 196 D C 2.008 178.290 176.300 -0.031 0.000 0.998 196 D CA 0.821 54.805 54.000 -0.027 0.000 0.836 196 D CB -0.543 40.241 40.800 -0.027 0.000 0.951 196 D HN 0.259 nan 8.370 nan 0.000 0.449 197 L N 0.171 121.367 121.223 -0.045 0.000 1.989 197 L HA -0.230 4.110 4.340 0.000 0.000 0.211 197 L C 2.381 179.251 176.870 0.001 0.000 1.071 197 L CA 1.464 56.258 54.840 -0.076 0.000 0.749 197 L CB -0.802 41.152 42.059 -0.174 0.000 0.890 197 L HN 0.050 nan 8.230 nan 0.000 0.431 198 Y N -0.042 120.223 120.300 -0.058 0.000 2.315 198 Y HA -0.254 4.296 4.550 0.000 0.000 0.288 198 Y C 2.745 178.623 175.900 -0.036 0.000 1.154 198 Y CA 1.915 59.999 58.100 -0.025 0.000 1.229 198 Y CB -0.187 38.268 38.460 -0.009 0.000 0.980 198 Y HN 0.184 nan 8.280 nan 0.000 0.540 199 R N -0.571 119.888 120.500 -0.068 0.000 2.223 199 R HA -0.042 4.298 4.340 0.000 0.000 0.198 199 R C 1.812 178.037 176.300 -0.124 0.000 0.984 199 R CA 0.667 56.688 56.100 -0.131 0.000 1.018 199 R CB 0.148 30.417 30.300 -0.051 0.000 0.945 199 R HN 0.173 nan 8.270 nan 0.000 0.479 200 E N 0.657 120.799 120.200 -0.096 0.000 2.033 200 E HA -0.102 4.248 4.350 0.000 0.000 0.189 200 E C 2.008 178.544 176.600 -0.106 0.000 0.979 200 E CA 0.970 57.314 56.400 -0.093 0.000 0.802 200 E CB -0.100 29.550 29.700 -0.083 0.000 0.763 200 E HN 0.222 nan 8.360 nan 0.000 0.449 201 M N 0.950 120.483 119.600 -0.112 0.000 2.116 201 M HA -0.236 4.244 4.480 0.000 0.000 0.255 201 M C 1.997 178.220 176.300 -0.128 0.000 1.075 201 M CA 1.613 56.849 55.300 -0.106 0.000 1.087 201 M CB -1.153 31.395 32.600 -0.086 0.000 1.340 201 M HN 0.037 nan 8.290 nan 0.000 0.402 202 K N -0.051 120.231 120.400 -0.197 0.000 2.097 202 K HA -0.147 4.173 4.320 0.000 0.000 0.206 202 K C 1.948 178.477 176.600 -0.119 0.000 1.049 202 K CA 1.368 57.542 56.287 -0.188 0.000 0.933 202 K CB -0.079 32.265 32.500 -0.260 0.000 0.717 202 K HN 0.487 nan 8.250 nan 0.000 0.442 203 E N -0.414 119.722 120.200 -0.107 0.000 2.250 203 E HA -0.048 4.302 4.350 0.000 0.000 0.192 203 E C 1.655 178.218 176.600 -0.061 0.000 0.986 203 E CA 1.084 57.438 56.400 -0.077 0.000 0.849 203 E CB 0.283 29.939 29.700 -0.073 0.000 0.797 203 E HN 0.298 nan 8.360 nan 0.000 0.482 204 T N -1.363 113.153 114.554 -0.063 0.000 3.007 204 T HA 0.024 4.374 4.350 0.000 0.000 0.270 204 T C 1.705 176.382 174.700 -0.038 0.000 1.107 204 T CA 0.750 62.820 62.100 -0.049 0.000 1.118 204 T CB 0.037 68.875 68.868 -0.051 0.000 0.889 204 T HN 0.371 nan 8.240 nan 0.000 0.506 205 G N 0.611 109.383 108.800 -0.046 0.000 2.241 205 G HA2 -0.363 3.597 3.960 0.000 0.000 0.244 205 G HA3 -0.363 3.597 3.960 0.000 0.000 0.244 205 G C 1.121 176.007 174.900 -0.023 0.000 0.998 205 G CA 0.174 45.254 45.100 -0.034 0.000 0.621 205 G HN 0.559 nan 8.290 nan 0.000 0.519 206 V N 0.372 120.273 119.914 -0.021 0.000 2.439 206 V HA -0.016 4.104 4.120 0.000 0.000 0.253 206 V C 1.725 177.816 176.094 -0.006 0.000 1.074 206 V CA 2.062 64.361 62.300 -0.002 0.000 1.076 206 V CB -0.538 31.281 31.823 -0.006 0.000 0.664 206 V HN 0.566 nan 8.190 nan 0.000 0.461 207 I N 0.509 121.058 120.570 -0.036 0.000 2.562 207 I HA 0.476 4.646 4.170 0.000 0.000 0.301 207 I C -0.294 175.791 176.117 -0.054 0.000 1.003 207 I CA -0.398 60.877 61.300 -0.042 0.000 1.127 207 I CB 1.875 39.833 38.000 -0.070 0.000 1.304 207 I HN 0.164 nan 8.210 nan 0.000 0.446 208 N N 5.400 124.080 118.700 -0.033 0.000 2.629 208 N HA 0.285 5.025 4.740 0.000 0.000 0.277 208 N C -0.188 175.313 175.510 -0.015 0.000 1.188 208 N CA -0.458 52.574 53.050 -0.030 0.000 0.835 208 N CB 1.014 39.492 38.487 -0.015 0.000 1.420 208 N HN 0.526 nan 8.380 nan 0.000 0.542 209 L N 1.050 122.261 121.223 -0.019 0.000 2.551 209 L HA 0.179 4.519 4.340 0.000 0.000 0.228 209 L C 0.493 177.368 176.870 0.008 0.000 1.153 209 L CA 0.757 55.600 54.840 0.006 0.000 0.851 209 L CB 0.038 42.105 42.059 0.012 0.000 0.959 209 L HN 0.495 nan 8.230 nan 0.000 0.451 210 E N 0.440 120.640 120.200 0.000 0.000 3.385 210 E HA 0.396 4.746 4.350 0.000 0.000 0.206 210 E C 0.345 176.948 176.600 0.004 0.000 0.997 210 E CA 0.049 56.451 56.400 0.004 0.000 1.278 210 E CB 1.102 30.803 29.700 0.001 0.000 1.165 210 E HN 0.376 nan 8.360 nan 0.000 0.452 211 G N 0.543 109.347 108.800 0.006 0.000 2.441 211 G HA2 0.014 3.974 3.960 0.000 0.000 0.225 211 G HA3 0.014 3.974 3.960 0.000 0.000 0.225 211 G C -1.249 173.658 174.900 0.012 0.000 1.200 211 G CA -0.721 44.385 45.100 0.010 0.000 0.947 211 G HN -0.021 nan 8.290 nan 0.000 0.484 212 E N 0.669 120.880 120.200 0.018 0.000 2.283 212 E HA 0.633 4.983 4.350 0.000 0.000 0.278 212 E C -0.546 176.066 176.600 0.020 0.000 1.027 212 E CA -0.024 56.391 56.400 0.026 0.000 0.843 212 E CB 1.557 31.285 29.700 0.047 0.000 1.062 212 E HN 0.330 nan 8.360 nan 0.000 0.401 213 S N 2.042 117.746 115.700 0.006 0.000 2.536 213 S HA 0.351 4.821 4.470 0.000 0.000 0.298 213 S C 0.535 175.130 174.600 -0.007 0.000 1.083 213 S CA -0.855 57.343 58.200 -0.002 0.000 0.995 213 S CB 1.594 64.785 63.200 -0.015 0.000 1.058 213 S HN 0.307 nan 8.310 nan 0.000 0.488 214 K N 0.705 121.128 120.400 0.039 0.000 2.373 214 K HA 0.353 4.673 4.320 0.000 0.000 0.202 214 K C -0.404 176.243 176.600 0.077 0.000 1.025 214 K CA 0.134 56.497 56.287 0.127 0.000 1.115 214 K CB 0.837 33.440 32.500 0.173 0.000 0.858 214 K HN 0.318 nan 8.250 nan 0.000 0.525 215 V N -0.008 119.900 119.914 -0.011 0.000 2.969 215 V HA 0.651 4.771 4.120 0.000 0.000 0.304 215 V C -1.900 174.192 176.094 -0.003 0.000 1.192 215 V CA -0.759 61.544 62.300 0.005 0.000 0.962 215 V CB 1.969 33.827 31.823 0.060 0.000 1.045 215 V HN 0.161 nan 8.190 nan 0.000 0.428 216 A N 6.559 129.386 122.820 0.010 0.000 2.324 216 A HA 0.919 5.239 4.320 0.000 0.000 0.330 216 A C -1.055 176.561 177.584 0.053 0.000 1.165 216 A CA -0.698 51.363 52.037 0.040 0.000 0.813 216 A CB 1.189 20.231 19.000 0.069 0.000 1.197 216 A HN 0.981 nan 8.150 nan 0.000 0.484 217 L N 2.713 123.959 121.223 0.037 0.000 2.319 217 L HA 0.501 4.841 4.340 0.000 0.000 0.281 217 L C -1.085 175.713 176.870 -0.119 0.000 1.005 217 L CA -0.756 54.061 54.840 -0.038 0.000 0.828 217 L CB 1.653 43.754 42.059 0.069 0.000 1.227 217 L HN 0.402 nan 8.230 nan 0.000 0.415 218 V N 3.796 123.547 119.914 -0.271 0.000 2.378 218 V HA 0.465 4.585 4.120 0.000 0.000 0.288 218 V C -0.681 175.210 176.094 -0.338 0.000 1.016 218 V CA -0.359 61.822 62.300 -0.199 0.000 0.840 218 V CB 1.573 33.337 31.823 -0.098 0.000 0.994 218 V HN 0.367 nan 8.190 nan 0.000 0.431 219 F N 2.247 122.237 119.950 0.066 0.000 2.520 219 F HA 0.792 5.319 4.527 -0.000 0.000 0.322 219 F C 0.763 176.587 175.800 0.040 0.000 1.103 219 F CA -0.936 57.103 58.000 0.064 0.000 0.926 219 F CB 2.504 41.525 39.000 0.036 0.000 1.154 219 F HN 0.503 nan 8.300 nan 0.000 0.453 220 G N 3.383 112.363 108.800 0.301 0.000 4.876 220 G HA2 0.175 4.135 3.960 0.000 0.000 0.219 220 G HA3 0.175 4.135 3.960 0.000 0.000 0.219 220 G C -0.490 174.496 174.900 0.143 0.000 0.877 220 G CA -0.464 44.735 45.100 0.164 0.000 0.718 220 G HN 0.328 nan 8.290 nan 0.000 0.518 221 Q N 0.296 120.183 119.800 0.144 0.000 2.631 221 Q HA 0.122 4.462 4.340 0.000 0.000 0.210 221 Q C 2.078 178.111 176.000 0.055 0.000 1.094 221 Q CA -0.184 55.680 55.803 0.102 0.000 1.055 221 Q CB 0.519 29.287 28.738 0.050 0.000 1.261 221 Q HN 0.642 nan 8.270 nan 0.000 0.615 222 M N -0.092 119.532 119.600 0.041 0.000 2.630 222 M HA -0.055 4.425 4.480 0.000 0.000 0.254 222 M C 0.863 177.169 176.300 0.010 0.000 1.092 222 M CA 1.229 56.543 55.300 0.023 0.000 1.087 222 M CB -0.363 32.246 32.600 0.017 0.000 1.453 222 M HN 0.387 nan 8.290 nan 0.000 0.509 223 N N 1.174 119.878 118.700 0.007 0.000 2.575 223 N HA -0.029 4.711 4.740 0.000 0.000 0.192 223 N C -0.609 174.903 175.510 0.003 0.000 1.200 223 N CA 0.464 53.514 53.050 -0.000 0.000 0.897 223 N CB -0.161 38.321 38.487 -0.009 0.000 0.990 223 N HN 0.628 nan 8.380 nan 0.000 0.449 224 E N 0.710 120.916 120.200 0.009 0.000 2.266 224 E HA 0.377 4.727 4.350 0.000 0.000 0.268 224 E C -2.662 173.941 176.600 0.004 0.000 0.879 224 E CA -2.340 54.065 56.400 0.009 0.000 0.762 224 E CB 2.371 32.083 29.700 0.020 0.000 1.199 224 E HN 0.133 nan 8.360 nan 0.000 0.422 225 P HA 0.020 nan 4.420 nan 0.000 0.269 225 P C -2.138 175.155 177.300 -0.012 0.000 1.209 225 P CA -1.095 62.001 63.100 -0.006 0.000 0.776 225 P CB 0.388 32.086 31.700 -0.004 0.000 0.876 226 P HA -0.269 nan 4.420 nan 0.000 0.217 226 P C 1.694 178.967 177.300 -0.044 0.000 1.162 226 P CA 2.285 65.359 63.100 -0.043 0.000 0.901 226 P CB -0.825 30.845 31.700 -0.050 0.000 0.793 227 G N 0.368 109.151 108.800 -0.030 0.000 2.529 227 G HA2 -0.332 3.628 3.960 0.000 0.000 0.219 227 G HA3 -0.332 3.628 3.960 0.000 0.000 0.219 227 G C 1.838 176.733 174.900 -0.009 0.000 1.177 227 G CA 1.907 46.995 45.100 -0.019 0.000 0.773 227 G HN 0.439 nan 8.290 nan 0.000 0.573 228 A N 0.585 123.405 122.820 0.001 0.000 1.858 228 A HA -0.038 4.282 4.320 0.000 0.000 0.216 228 A C 2.428 180.021 177.584 0.015 0.000 1.190 228 A CA 1.888 53.932 52.037 0.013 0.000 0.617 228 A CB -0.492 18.518 19.000 0.017 0.000 0.827 228 A HN 0.341 nan 8.150 nan 0.000 0.443 229 R N -0.673 119.831 120.500 0.006 0.000 2.249 229 R HA -0.033 4.307 4.340 0.000 0.000 0.230 229 R C 1.901 178.200 176.300 -0.003 0.000 1.121 229 R CA 0.935 57.041 56.100 0.011 0.000 0.997 229 R CB -0.287 30.011 30.300 -0.004 0.000 0.867 229 R HN 0.526 nan 8.270 nan 0.000 0.465 230 A N -0.289 122.504 122.820 -0.045 0.000 2.238 230 A HA 0.090 4.410 4.320 0.000 0.000 0.210 230 A C 1.515 179.085 177.584 -0.022 0.000 1.179 230 A CA 0.349 52.306 52.037 -0.133 0.000 0.827 230 A CB 0.317 19.195 19.000 -0.205 0.000 0.856 230 A HN 0.041 nan 8.150 nan 0.000 0.488 231 R N -1.765 118.760 120.500 0.043 0.000 2.453 231 R HA 0.151 4.491 4.340 0.000 0.000 0.233 231 R C 1.398 177.722 176.300 0.039 0.000 0.895 231 R CA 0.618 56.750 56.100 0.053 0.000 1.028 231 R CB -0.455 29.855 30.300 0.017 0.000 1.255 231 R HN 0.298 nan 8.270 nan 0.000 0.571 232 V N 1.528 121.472 119.914 0.050 0.000 2.970 232 V HA -0.061 4.059 4.120 0.000 0.000 0.260 232 V C 2.056 178.154 176.094 0.006 0.000 1.100 232 V CA 1.659 63.975 62.300 0.027 0.000 1.122 232 V CB -0.186 31.664 31.823 0.045 0.000 0.721 232 V HN 0.267 nan 8.190 nan 0.000 0.483 233 A N 0.154 122.994 122.820 0.033 0.000 1.877 233 A HA -0.115 4.205 4.320 0.000 0.000 0.216 233 A C 2.053 179.585 177.584 -0.087 0.000 1.186 233 A CA 1.953 53.964 52.037 -0.043 0.000 0.620 233 A CB -0.445 18.519 19.000 -0.060 0.000 0.822 233 A HN 0.556 nan 8.150 nan 0.000 0.443 234 L N -0.889 120.294 121.223 -0.067 0.000 2.141 234 L HA -0.119 4.221 4.340 0.000 0.000 0.209 234 L C 2.658 179.470 176.870 -0.096 0.000 1.094 234 L CA 1.589 56.360 54.840 -0.115 0.000 0.763 234 L CB -1.604 40.346 42.059 -0.182 0.000 0.908 234 L HN 0.302 nan 8.230 nan 0.000 0.437 235 T N 0.656 115.167 114.554 -0.071 0.000 2.580 235 T HA -0.175 4.175 4.350 0.000 0.000 0.265 235 T C 1.948 176.624 174.700 -0.039 0.000 1.063 235 T CA 1.794 63.864 62.100 -0.049 0.000 1.170 235 T CB -0.731 68.119 68.868 -0.028 0.000 0.863 235 T HN 0.559 nan 8.240 nan 0.000 0.418 236 G N 1.604 110.377 108.800 -0.045 0.000 2.514 236 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 236 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 236 G C 1.559 176.440 174.900 -0.032 0.000 1.198 236 G CA 1.228 46.303 45.100 -0.043 0.000 0.780 236 G HN 0.475 nan 8.290 nan 0.000 0.565 237 L N 0.735 121.918 121.223 -0.066 0.000 2.129 237 L HA -0.062 4.279 4.340 0.000 0.000 0.212 237 L C 2.749 179.607 176.870 -0.021 0.000 1.087 237 L CA 2.740 57.540 54.840 -0.067 0.000 0.757 237 L CB -0.835 41.155 42.059 -0.115 0.000 0.896 237 L HN 0.196 nan 8.230 nan 0.000 0.434 238 T N -0.243 114.300 114.554 -0.018 0.000 2.777 238 T HA -0.104 4.246 4.350 0.000 0.000 0.266 238 T C 1.915 176.645 174.700 0.049 0.000 1.040 238 T CA 1.855 63.957 62.100 0.003 0.000 1.141 238 T CB -0.284 68.568 68.868 -0.026 0.000 0.868 238 T HN 0.338 nan 8.240 nan 0.000 0.444 239 I N 1.225 121.833 120.570 0.063 0.000 2.163 239 I HA -0.227 3.943 4.170 0.000 0.000 0.243 239 I C 2.792 179.099 176.117 0.316 0.000 1.085 239 I CA 1.204 62.589 61.300 0.141 0.000 1.347 239 I CB -0.432 37.669 38.000 0.168 0.000 1.044 239 I HN 0.192 nan 8.210 nan 0.000 0.408 240 A N 0.281 123.262 122.820 0.269 0.000 1.859 240 A HA -0.313 4.007 4.320 0.000 0.000 0.217 240 A C 2.195 179.921 177.584 0.238 0.000 1.198 240 A CA 2.194 54.400 52.037 0.281 0.000 0.629 240 A CB -0.907 18.149 19.000 0.093 0.000 0.830 240 A HN 0.443 nan 8.150 nan 0.000 0.446 241 E N -1.848 118.425 120.200 0.122 0.000 2.108 241 E HA -0.290 4.060 4.350 0.000 0.000 0.203 241 E C 1.877 178.525 176.600 0.081 0.000 1.022 241 E CA 1.949 58.395 56.400 0.077 0.000 0.823 241 E CB -0.365 29.365 29.700 0.049 0.000 0.744 241 E HN 0.747 nan 8.360 nan 0.000 0.456 242 Y N -0.270 119.996 120.300 -0.057 0.000 2.224 242 Y HA -0.228 4.322 4.550 0.000 0.000 0.289 242 Y C 1.710 177.500 175.900 -0.183 0.000 1.146 242 Y CA 1.540 59.538 58.100 -0.170 0.000 1.182 242 Y CB -0.203 38.076 38.460 -0.303 0.000 0.983 242 Y HN 0.011 nan 8.280 nan 0.000 0.524 243 F N -0.420 119.556 119.950 0.043 0.000 2.259 243 F HA -0.042 4.485 4.527 0.000 0.000 0.298 243 F C 2.644 178.418 175.800 -0.044 0.000 1.088 243 F CA 1.425 59.439 58.000 0.023 0.000 1.358 243 F CB -0.591 38.520 39.000 0.185 0.000 1.040 243 F HN -0.092 nan 8.300 nan 0.000 0.505 244 R N 0.587 121.166 120.500 0.132 0.000 2.062 244 R HA -0.146 4.194 4.340 0.000 0.000 0.231 244 R C 1.271 177.554 176.300 -0.029 0.000 1.136 244 R CA 2.186 58.315 56.100 0.049 0.000 0.948 244 R CB -0.291 30.030 30.300 0.034 0.000 0.845 244 R HN 0.125 nan 8.270 nan 0.000 0.430 245 D N -0.591 119.758 120.400 -0.084 0.000 2.327 245 D HA -0.014 4.626 4.640 0.000 0.000 0.205 245 D C 1.162 177.357 176.300 -0.176 0.000 0.989 245 D CA 0.738 54.675 54.000 -0.105 0.000 0.873 245 D CB 0.423 41.178 40.800 -0.074 0.000 0.955 245 D HN 0.289 nan 8.370 nan 0.000 0.515 246 E N -0.305 119.694 120.200 -0.335 0.000 2.474 246 E HA 0.030 4.380 4.350 0.000 0.000 0.215 246 E C 0.860 177.265 176.600 -0.326 0.000 0.867 246 E CA 0.159 56.307 56.400 -0.420 0.000 1.135 246 E CB 0.639 29.849 29.700 -0.816 0.000 1.147 246 E HN 0.037 nan 8.360 nan 0.000 0.534 247 E N 0.790 120.832 120.200 -0.262 0.000 2.479 247 E HA 0.102 4.452 4.350 0.000 0.000 0.193 247 E C 0.625 177.209 176.600 -0.028 0.000 1.049 247 E CA 0.347 56.717 56.400 -0.050 0.000 0.870 247 E CB 0.040 29.846 29.700 0.175 0.000 0.944 247 E HN 0.279 nan 8.360 nan 0.000 0.492 248 G N 1.671 110.434 108.800 -0.062 0.000 2.396 248 G HA2 -0.320 3.640 3.960 0.000 0.000 0.288 248 G HA3 -0.320 3.640 3.960 0.000 0.000 0.288 248 G C 0.038 174.918 174.900 -0.034 0.000 0.926 248 G CA 1.208 46.280 45.100 -0.047 0.000 1.211 248 G HN 0.317 nan 8.290 nan 0.000 0.496 249 Q N -1.181 118.610 119.800 -0.014 0.000 2.814 249 Q HA 0.218 4.558 4.340 0.000 0.000 0.322 249 Q C -1.276 174.720 176.000 -0.007 0.000 0.888 249 Q CA -0.929 54.854 55.803 -0.035 0.000 0.768 249 Q CB 1.252 29.940 28.738 -0.082 0.000 1.443 249 Q HN 0.258 nan 8.270 nan 0.000 0.497 250 D N 1.462 121.844 120.400 -0.029 0.000 2.312 250 D HA 0.332 4.972 4.640 0.000 0.000 0.252 250 D C -0.533 175.860 176.300 0.155 0.000 1.150 250 D CA 0.198 54.235 54.000 0.061 0.000 0.870 250 D CB 1.119 41.952 40.800 0.055 0.000 1.153 250 D HN 0.225 nan 8.370 nan 0.000 0.457 251 V N 1.231 121.201 119.914 0.093 0.000 2.919 251 V HA 0.580 4.700 4.120 0.000 0.000 0.316 251 V C 0.026 176.021 176.094 -0.165 0.000 1.077 251 V CA -1.048 61.259 62.300 0.012 0.000 0.977 251 V CB 2.071 33.914 31.823 0.033 0.000 1.039 251 V HN 0.287 nan 8.190 nan 0.000 0.441 252 L N 3.238 124.290 121.223 -0.286 0.000 2.343 252 L HA 0.523 4.863 4.340 0.000 0.000 0.278 252 L C -1.122 175.479 176.870 -0.448 0.000 0.996 252 L CA -0.485 54.086 54.840 -0.448 0.000 0.831 252 L CB 1.762 43.510 42.059 -0.519 0.000 1.232 252 L HN 0.456 nan 8.230 nan 0.000 0.413 253 L N 4.271 125.175 121.223 -0.531 0.000 2.264 253 L HA 0.509 4.849 4.340 0.000 0.000 0.287 253 L C -1.049 175.479 176.870 -0.571 0.000 1.039 253 L CA 0.075 54.678 54.840 -0.396 0.000 0.829 253 L CB 0.491 42.389 42.059 -0.268 0.000 1.211 253 L HN 0.199 nan 8.230 nan 0.000 0.427 254 F N 6.237 126.039 119.950 -0.246 0.000 2.361 254 F HA 0.501 5.028 4.527 -0.000 0.000 0.364 254 F C 0.236 175.636 175.800 -0.667 0.000 1.120 254 F CA -0.480 57.289 58.000 -0.386 0.000 1.102 254 F CB 0.757 39.580 39.000 -0.296 0.000 1.183 254 F HN 0.235 nan 8.300 nan 0.000 0.476 255 I N 2.526 122.892 120.570 -0.339 0.000 2.362 255 I HA 0.409 4.580 4.170 0.000 0.000 0.289 255 I C -1.108 174.852 176.117 -0.261 0.000 0.994 255 I CA -0.634 60.447 61.300 -0.364 0.000 1.158 255 I CB 1.829 39.675 38.000 -0.256 0.000 1.315 255 I HN 0.368 nan 8.210 nan 0.000 0.451 256 D N 5.923 126.174 120.400 -0.248 0.000 2.602 256 D HA 0.234 4.874 4.640 0.000 0.000 0.245 256 D C -1.341 174.999 176.300 0.066 0.000 1.325 256 D CA -0.316 53.675 54.000 -0.015 0.000 0.952 256 D CB 1.358 42.249 40.800 0.151 0.000 1.317 256 D HN 0.537 nan 8.370 nan 0.000 0.577 257 N N 4.500 123.250 118.700 0.084 0.000 2.346 257 N HA 0.167 4.907 4.740 0.000 0.000 0.289 257 N C 0.479 176.039 175.510 0.083 0.000 1.027 257 N CA -0.504 52.593 53.050 0.079 0.000 0.864 257 N CB 1.616 40.188 38.487 0.140 0.000 1.370 257 N HN 0.413 nan 8.380 nan 0.000 0.481 258 I N 3.909 124.493 120.570 0.022 0.000 2.567 258 I HA -0.114 4.056 4.170 0.000 0.000 0.257 258 I C 1.667 177.857 176.117 0.121 0.000 1.184 258 I CA 0.820 62.125 61.300 0.008 0.000 1.451 258 I CB -0.422 37.513 38.000 -0.109 0.000 1.089 258 I HN 0.635 nan 8.210 nan 0.000 0.441 259 F N 1.367 121.346 119.950 0.049 0.000 2.307 259 F HA -0.187 4.341 4.527 0.000 0.000 0.301 259 F C 2.248 178.143 175.800 0.158 0.000 1.076 259 F CA 1.443 59.520 58.000 0.129 0.000 1.383 259 F CB -0.277 38.845 39.000 0.204 0.000 1.055 259 F HN -0.009 nan 8.300 nan 0.000 0.526 260 R N -0.751 119.749 120.500 0.001 0.000 2.240 260 R HA -0.092 4.248 4.340 0.000 0.000 0.203 260 R C 2.072 178.326 176.300 -0.077 0.000 1.011 260 R CA 0.888 56.924 56.100 -0.107 0.000 1.007 260 R CB -0.884 29.437 30.300 0.036 0.000 0.911 260 R HN 0.429 nan 8.270 nan 0.000 0.468 261 F N 1.842 121.708 119.950 -0.141 0.000 2.146 261 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 261 F C 1.992 177.710 175.800 -0.136 0.000 1.096 261 F CA 1.520 59.452 58.000 -0.114 0.000 1.275 261 F CB -0.082 38.862 39.000 -0.093 0.000 1.008 261 F HN -0.177 nan 8.300 nan 0.000 0.480 262 T N 0.163 114.676 114.554 -0.068 0.000 2.770 262 T HA -0.214 4.136 4.350 0.000 0.000 0.263 262 T C 1.888 176.462 174.700 -0.211 0.000 1.039 262 T CA 1.401 63.423 62.100 -0.131 0.000 1.142 262 T CB -0.425 68.420 68.868 -0.040 0.000 0.868 262 T HN 0.424 nan 8.240 nan 0.000 0.435 263 Q N 0.987 120.523 119.800 -0.439 0.000 2.045 263 Q HA -0.207 4.133 4.340 0.000 0.000 0.206 263 Q C 2.464 178.337 176.000 -0.212 0.000 0.991 263 Q CA 1.960 57.549 55.803 -0.356 0.000 0.851 263 Q CB -0.386 28.046 28.738 -0.511 0.000 0.911 263 Q HN 0.512 nan 8.270 nan 0.000 0.418 264 A N 0.549 123.238 122.820 -0.218 0.000 1.908 264 A HA -0.139 4.181 4.320 0.000 0.000 0.218 264 A C 2.339 179.811 177.584 -0.186 0.000 1.181 264 A CA 1.751 53.685 52.037 -0.173 0.000 0.627 264 A CB -1.517 17.384 19.000 -0.164 0.000 0.818 264 A HN 0.660 nan 8.150 nan 0.000 0.445 265 G N -0.719 107.921 108.800 -0.266 0.000 2.505 265 G HA2 -0.304 3.656 3.960 0.000 0.000 0.220 265 G HA3 -0.304 3.656 3.960 0.000 0.000 0.220 265 G C 1.944 176.776 174.900 -0.113 0.000 1.145 265 G CA 1.696 46.663 45.100 -0.221 0.000 0.761 265 G HN 0.602 nan 8.290 nan 0.000 0.571 266 S N 0.349 115.993 115.700 -0.092 0.000 2.368 266 S HA -0.109 4.361 4.470 0.000 0.000 0.225 266 S C 2.206 176.761 174.600 -0.075 0.000 1.030 266 S CA 1.749 59.910 58.200 -0.066 0.000 0.999 266 S CB -0.324 62.810 63.200 -0.110 0.000 0.844 266 S HN 0.598 nan 8.310 nan 0.000 0.459 267 E N 0.187 120.337 120.200 -0.083 0.000 2.347 267 E HA -0.054 4.296 4.350 0.000 0.000 0.196 267 E C 1.737 178.307 176.600 -0.049 0.000 1.008 267 E CA 1.253 57.614 56.400 -0.064 0.000 0.852 267 E CB 0.068 29.731 29.700 -0.061 0.000 0.783 267 E HN 0.686 nan 8.360 nan 0.000 0.505 268 V N -3.317 116.567 119.914 -0.051 0.000 3.612 268 V HA 0.109 4.229 4.120 0.000 0.000 0.268 268 V C 2.083 178.160 176.094 -0.028 0.000 1.365 268 V CA 0.374 62.652 62.300 -0.037 0.000 1.044 268 V CB 0.611 32.412 31.823 -0.037 0.000 0.820 268 V HN 0.043 nan 8.190 nan 0.000 0.444 269 S N 2.059 117.740 115.700 -0.031 0.000 2.390 269 S HA -0.352 4.118 4.470 0.000 0.000 0.234 269 S C 2.119 176.714 174.600 -0.009 0.000 1.063 269 S CA 2.966 61.156 58.200 -0.017 0.000 1.108 269 S CB -0.542 62.652 63.200 -0.010 0.000 0.975 269 S HN 1.032 nan 8.310 nan 0.000 0.442 270 A N 0.749 123.562 122.820 -0.011 0.000 1.930 270 A HA 0.153 4.473 4.320 0.000 0.000 0.217 270 A C 2.242 179.824 177.584 -0.004 0.000 1.175 270 A CA 1.244 53.278 52.037 -0.005 0.000 0.627 270 A CB -0.660 18.335 19.000 -0.008 0.000 0.815 270 A HN 0.585 nan 8.150 nan 0.000 0.443 271 L N -0.683 120.536 121.223 -0.007 0.000 2.265 271 L HA -0.094 4.246 4.340 0.000 0.000 0.215 271 L C 1.875 178.745 176.870 0.001 0.000 1.117 271 L CA 0.717 55.554 54.840 -0.004 0.000 0.782 271 L CB -0.308 41.747 42.059 -0.007 0.000 0.914 271 L HN 0.371 nan 8.230 nan 0.000 0.441 272 L N -0.564 120.659 121.223 0.000 0.000 2.599 272 L HA 0.125 4.465 4.340 0.000 0.000 0.230 272 L C 1.286 178.161 176.870 0.008 0.000 1.141 272 L CA 0.440 55.283 54.840 0.005 0.000 0.877 272 L CB -0.308 41.752 42.059 0.002 0.000 1.009 272 L HN 0.413 nan 8.230 nan 0.000 0.447 273 G N 0.937 109.741 108.800 0.006 0.000 2.182 273 G HA2 -0.271 3.689 3.960 0.000 0.000 0.248 273 G HA3 -0.271 3.689 3.960 0.000 0.000 0.248 273 G C 0.093 174.998 174.900 0.009 0.000 1.042 273 G CA -0.302 44.803 45.100 0.008 0.000 0.775 273 G HN 0.380 nan 8.290 nan 0.000 0.501 274 R N -0.562 119.943 120.500 0.009 0.000 2.368 274 R HA 0.577 4.917 4.340 0.000 0.000 0.302 274 R C 0.893 177.201 176.300 0.013 0.000 1.002 274 R CA -0.870 55.237 56.100 0.012 0.000 0.929 274 R CB 1.224 31.532 30.300 0.013 0.000 1.073 274 R HN 0.313 nan 8.270 nan 0.000 0.464 275 I N 5.176 125.755 120.570 0.016 0.000 2.683 275 I HA 0.021 4.191 4.170 0.000 0.000 0.286 275 I C -1.523 174.608 176.117 0.024 0.000 1.175 275 I CA -1.456 59.855 61.300 0.018 0.000 1.429 275 I CB 0.263 38.274 38.000 0.019 0.000 1.371 275 I HN 0.304 nan 8.210 nan 0.000 0.569 276 P HA 0.004 nan 4.420 nan 0.000 0.266 276 P C -0.303 177.026 177.300 0.048 0.000 1.195 276 P CA -0.034 63.087 63.100 0.034 0.000 0.768 276 P CB 1.066 32.781 31.700 0.024 0.000 0.838 277 S N 1.719 117.462 115.700 0.072 0.000 2.566 277 S HA 0.597 5.067 4.470 0.000 0.000 0.277 277 S C 0.142 174.801 174.600 0.099 0.000 1.150 277 S CA -0.341 57.908 58.200 0.081 0.000 1.032 277 S CB 0.186 63.443 63.200 0.093 0.000 1.157 277 S HN 0.589 nan 8.310 nan 0.000 0.507 278 A N 0.199 123.085 122.820 0.109 0.000 2.425 278 A HA 0.450 4.770 4.320 0.000 0.000 0.242 278 A C 0.901 178.598 177.584 0.187 0.000 1.077 278 A CA 0.183 52.290 52.037 0.117 0.000 0.781 278 A CB -0.557 18.500 19.000 0.095 0.000 1.020 278 A HN 1.597 nan 8.150 nan 0.000 0.494 279 V N 0.987 120.992 119.914 0.152 0.000 4.448 279 V HA -0.305 3.815 4.120 0.000 0.000 0.248 279 V C 1.566 177.710 176.094 0.083 0.000 0.492 279 V CA 1.758 64.156 62.300 0.163 0.000 0.835 279 V CB -2.510 29.488 31.823 0.291 0.000 0.834 279 V HN 2.779 nan 8.190 nan 0.000 1.243 280 G N -1.817 107.017 108.800 0.057 0.000 2.341 280 G HA2 -0.334 3.626 3.960 0.000 0.000 0.292 280 G HA3 -0.334 3.626 3.960 0.000 0.000 0.292 280 G C -0.300 174.562 174.900 -0.063 0.000 1.021 280 G CA 0.772 45.864 45.100 -0.012 0.000 0.905 280 G HN 0.848 nan 8.290 nan 0.000 0.508 281 Y N 0.089 120.415 120.300 0.043 0.000 2.453 281 Y HA 0.473 5.023 4.550 -0.000 0.000 0.326 281 Y C 1.157 177.071 175.900 0.022 0.000 1.186 281 Y CA -0.700 57.422 58.100 0.037 0.000 1.200 281 Y CB 0.863 39.357 38.460 0.057 0.000 1.247 281 Y HN 0.448 nan 8.280 nan 0.000 0.482 282 Q N 2.450 122.377 119.800 0.211 0.000 2.432 282 Q HA 0.074 4.414 4.340 0.000 0.000 0.264 282 Q C -2.323 173.737 176.000 0.100 0.000 1.035 282 Q CA -1.462 54.406 55.803 0.108 0.000 0.908 282 Q CB 0.475 29.253 28.738 0.067 0.000 1.280 282 Q HN 0.396 nan 8.270 nan 0.000 0.455 283 P HA -0.094 nan 4.420 nan 0.000 0.220 283 P C 0.940 178.269 177.300 0.050 0.000 1.148 283 P CA 1.716 64.849 63.100 0.055 0.000 0.803 283 P CB -0.047 31.677 31.700 0.039 0.000 0.782 284 T N -4.176 110.406 114.554 0.047 0.000 3.235 284 T HA 0.159 4.509 4.350 0.000 0.000 0.251 284 T C 1.453 176.186 174.700 0.054 0.000 1.060 284 T CA -0.257 61.869 62.100 0.044 0.000 0.949 284 T CB -1.054 67.834 68.868 0.034 0.000 1.020 284 T HN -0.042 nan 8.240 nan 0.000 0.564 285 L N 0.963 122.219 121.223 0.055 0.000 1.990 285 L HA -0.075 4.265 4.340 0.000 0.000 0.213 285 L C 2.897 179.808 176.870 0.068 0.000 1.072 285 L CA 1.998 56.867 54.840 0.047 0.000 0.755 285 L CB -0.780 41.274 42.059 -0.008 0.000 0.889 285 L HN 0.434 nan 8.230 nan 0.000 0.432 286 A N -0.654 122.204 122.820 0.063 0.000 1.851 286 A HA -0.291 4.029 4.320 0.000 0.000 0.216 286 A C 2.374 180.023 177.584 0.109 0.000 1.195 286 A CA 2.857 54.946 52.037 0.086 0.000 0.622 286 A CB -1.436 17.602 19.000 0.063 0.000 0.831 286 A HN 0.622 nan 8.150 nan 0.000 0.444 287 T N -2.902 111.703 114.554 0.086 0.000 2.867 287 T HA -0.119 4.231 4.350 0.000 0.000 0.268 287 T C 1.409 176.169 174.700 0.099 0.000 1.057 287 T CA 1.595 63.747 62.100 0.086 0.000 1.136 287 T CB -0.416 68.490 68.868 0.063 0.000 0.874 287 T HN 0.333 nan 8.240 nan 0.000 0.466 288 D N 0.758 121.225 120.400 0.112 0.000 2.084 288 D HA -0.007 4.633 4.640 0.000 0.000 0.196 288 D C 2.029 178.461 176.300 0.220 0.000 0.985 288 D CA 1.062 55.162 54.000 0.167 0.000 0.826 288 D CB -0.405 40.480 40.800 0.143 0.000 0.978 288 D HN 0.367 nan 8.370 nan 0.000 0.456 289 M N 0.470 120.180 119.600 0.185 0.000 2.080 289 M HA -0.131 4.349 4.480 0.000 0.000 0.260 289 M C 2.096 178.328 176.300 -0.113 0.000 1.068 289 M CA 2.045 57.373 55.300 0.048 0.000 1.109 289 M CB -0.396 32.241 32.600 0.060 0.000 1.342 289 M HN 0.038 nan 8.290 nan 0.000 0.405 290 G N 0.533 109.366 108.800 0.056 0.000 2.529 290 G HA2 -0.282 3.678 3.960 0.000 0.000 0.219 290 G HA3 -0.282 3.678 3.960 0.000 0.000 0.219 290 G C 1.389 176.298 174.900 0.016 0.000 1.177 290 G CA 1.043 46.207 45.100 0.108 0.000 0.773 290 G HN 0.474 nan 8.290 nan 0.000 0.573 291 L N -0.304 120.942 121.223 0.038 0.000 2.261 291 L HA -0.027 4.313 4.340 0.000 0.000 0.216 291 L C 2.563 179.421 176.870 -0.020 0.000 1.114 291 L CA 0.552 55.413 54.840 0.035 0.000 0.777 291 L CB -0.094 42.012 42.059 0.078 0.000 0.910 291 L HN 0.355 nan 8.230 nan 0.000 0.440 292 L N -1.658 119.498 121.223 -0.111 0.000 2.187 292 L HA -0.052 4.288 4.340 0.000 0.000 0.197 292 L C 2.405 179.119 176.870 -0.260 0.000 1.090 292 L CA 1.298 55.991 54.840 -0.245 0.000 0.781 292 L CB -0.732 40.990 42.059 -0.563 0.000 0.956 292 L HN 0.032 nan 8.230 nan 0.000 0.463 293 Q N 0.494 120.081 119.800 -0.355 0.000 2.173 293 Q HA -0.243 4.097 4.340 0.000 0.000 0.208 293 Q C 1.990 177.889 176.000 -0.169 0.000 0.989 293 Q CA 1.770 57.358 55.803 -0.358 0.000 0.872 293 Q CB -0.383 27.903 28.738 -0.753 0.000 0.909 293 Q HN 0.643 nan 8.270 nan 0.000 0.420 294 E N -0.004 120.141 120.200 -0.092 0.000 2.478 294 E HA -0.085 4.265 4.350 0.000 0.000 0.198 294 E C 1.696 178.280 176.600 -0.026 0.000 1.046 294 E CA 0.247 56.643 56.400 -0.007 0.000 0.870 294 E CB 0.126 29.851 29.700 0.041 0.000 0.818 294 E HN 0.358 nan 8.360 nan 0.000 0.527 295 R N 0.019 120.483 120.500 -0.060 0.000 2.189 295 R HA 0.177 4.517 4.340 0.000 0.000 0.203 295 R C 1.103 177.366 176.300 -0.063 0.000 1.012 295 R CA 0.168 56.237 56.100 -0.051 0.000 1.015 295 R CB 0.187 30.452 30.300 -0.058 0.000 0.938 295 R HN 0.033 nan 8.270 nan 0.000 0.472 296 I N 2.158 122.672 120.570 -0.093 0.000 2.472 296 I HA 0.006 4.176 4.170 0.000 0.000 0.305 296 I C -0.111 175.959 176.117 -0.079 0.000 1.196 296 I CA 0.537 61.776 61.300 -0.102 0.000 1.613 296 I CB 0.101 38.014 38.000 -0.145 0.000 1.501 296 I HN -0.053 nan 8.210 nan 0.000 0.754 297 T N 3.012 117.530 114.554 -0.060 0.000 3.097 297 T HA 0.184 4.534 4.350 0.000 0.000 0.332 297 T C -0.244 174.429 174.700 -0.044 0.000 1.269 297 T CA -0.419 61.652 62.100 -0.049 0.000 1.076 297 T CB 1.256 70.102 68.868 -0.036 0.000 1.209 297 T HN 0.305 nan 8.240 nan 0.000 0.474 298 T N 4.271 118.798 114.554 -0.045 0.000 2.902 298 T HA 0.493 4.843 4.350 0.000 0.000 0.301 298 T C 0.565 175.238 174.700 -0.045 0.000 1.012 298 T CA 0.278 62.353 62.100 -0.041 0.000 1.151 298 T CB 0.251 69.094 68.868 -0.040 0.000 0.946 298 T HN 0.873 nan 8.240 nan 0.000 0.542 299 T N 0.228 114.758 114.554 -0.041 0.000 2.804 299 T HA 0.451 4.801 4.350 0.000 0.000 0.290 299 T C 0.977 175.651 174.700 -0.043 0.000 1.099 299 T CA -1.130 60.942 62.100 -0.046 0.000 1.011 299 T CB 1.509 70.354 68.868 -0.039 0.000 1.291 299 T HN 0.370 nan 8.240 nan 0.000 0.523 300 K N 0.163 120.536 120.400 -0.045 0.000 2.209 300 K HA -0.029 4.291 4.320 0.000 0.000 0.204 300 K C 1.934 178.513 176.600 -0.035 0.000 1.048 300 K CA 1.038 57.301 56.287 -0.040 0.000 0.940 300 K CB -0.116 32.360 32.500 -0.040 0.000 0.729 300 K HN 0.498 nan 8.250 nan 0.000 0.451 301 K N 0.156 120.535 120.400 -0.034 0.000 2.296 301 K HA -0.014 4.306 4.320 0.000 0.000 0.200 301 K C 0.737 177.316 176.600 -0.035 0.000 1.048 301 K CA 0.518 56.783 56.287 -0.035 0.000 0.966 301 K CB 0.421 32.898 32.500 -0.038 0.000 0.754 301 K HN 0.247 nan 8.250 nan 0.000 0.466 302 G N -0.622 108.159 108.800 -0.030 0.000 2.316 302 G HA2 0.123 4.083 3.960 0.000 0.000 0.296 302 G HA3 0.123 4.083 3.960 0.000 0.000 0.296 302 G C -1.744 173.144 174.900 -0.020 0.000 1.399 302 G CA -0.721 44.365 45.100 -0.024 0.000 0.833 302 G HN -0.101 nan 8.290 nan 0.000 0.565 303 S N -1.014 114.679 115.700 -0.012 0.000 2.502 303 S HA 0.734 5.205 4.470 0.000 0.000 0.304 303 S C -0.212 174.381 174.600 -0.012 0.000 1.097 303 S CA -0.507 57.684 58.200 -0.014 0.000 1.045 303 S CB 1.259 64.452 63.200 -0.011 0.000 1.019 303 S HN 1.170 nan 8.310 nan 0.000 0.481 304 V N 3.814 123.708 119.914 -0.034 0.000 2.630 304 V HA 0.690 4.810 4.120 0.000 0.000 0.305 304 V C -0.065 175.972 176.094 -0.094 0.000 1.046 304 V CA -0.697 61.566 62.300 -0.061 0.000 0.934 304 V CB 1.857 33.637 31.823 -0.071 0.000 1.003 304 V HN 0.912 nan 8.190 nan 0.000 0.451 305 T N 2.474 116.937 114.554 -0.152 0.000 2.881 305 T HA 0.569 4.919 4.350 0.000 0.000 0.291 305 T C -0.375 174.135 174.700 -0.317 0.000 0.990 305 T CA -0.557 61.429 62.100 -0.191 0.000 0.976 305 T CB 1.445 70.218 68.868 -0.159 0.000 0.970 305 T HN 0.944 nan 8.240 nan 0.000 0.438 306 S N 1.549 117.065 115.700 -0.307 0.000 2.513 306 S HA 0.816 5.287 4.470 0.000 0.000 0.299 306 S C -0.753 173.614 174.600 -0.388 0.000 1.087 306 S CA -0.808 57.161 58.200 -0.386 0.000 1.012 306 S CB 1.619 64.648 63.200 -0.284 0.000 1.044 306 S HN 0.437 nan 8.310 nan 0.000 0.485 307 V N 2.906 122.552 119.914 -0.447 0.000 2.376 307 V HA 0.451 4.571 4.120 0.000 0.000 0.287 307 V C -0.709 175.277 176.094 -0.180 0.000 1.015 307 V CA -0.453 61.684 62.300 -0.272 0.000 0.834 307 V CB 1.169 32.935 31.823 -0.095 0.000 1.001 307 V HN 0.962 nan 8.190 nan 0.000 0.428 308 Q N 3.280 122.963 119.800 -0.195 0.000 2.333 308 Q HA 0.735 5.075 4.340 0.000 0.000 0.268 308 Q C -0.182 175.701 176.000 -0.196 0.000 1.007 308 Q CA -0.517 55.169 55.803 -0.194 0.000 0.810 308 Q CB 2.520 31.119 28.738 -0.230 0.000 1.264 308 Q HN 0.861 nan 8.270 nan 0.000 0.452 309 A N 2.448 125.192 122.820 -0.126 0.000 2.401 309 A HA 0.478 4.798 4.320 0.000 0.000 0.259 309 A C -0.285 177.191 177.584 -0.180 0.000 1.103 309 A CA -0.316 51.650 52.037 -0.118 0.000 0.789 309 A CB 0.552 19.554 19.000 0.002 0.000 1.035 309 A HN 0.516 nan 8.150 nan 0.000 0.491 310 V N 3.625 123.347 119.914 -0.319 0.000 2.407 310 V HA 0.179 4.299 4.120 0.000 0.000 0.291 310 V C -0.627 175.365 176.094 -0.170 0.000 1.018 310 V CA -0.485 61.596 62.300 -0.364 0.000 0.842 310 V CB 0.966 32.174 31.823 -1.025 0.000 0.996 310 V HN 0.801 nan 8.190 nan 0.000 0.426 311 Y N 5.417 125.639 120.300 -0.130 0.000 2.465 311 Y HA 0.419 4.970 4.550 0.000 0.000 0.331 311 Y C -0.024 175.677 175.900 -0.332 0.000 1.102 311 Y CA -0.105 57.858 58.100 -0.227 0.000 1.358 311 Y CB 1.150 39.426 38.460 -0.306 0.000 1.213 311 Y HN 0.388 nan 8.280 nan 0.000 0.525 312 V N 10.014 129.418 119.914 -0.850 0.000 2.294 312 V HA 0.281 4.401 4.120 0.000 0.000 0.272 312 V C -2.228 173.219 176.094 -1.078 0.000 1.027 312 V CA -2.099 59.803 62.300 -0.664 0.000 0.823 312 V CB 0.747 32.430 31.823 -0.234 0.000 1.030 312 V HN 0.723 nan 8.190 nan 0.000 0.457 313 P HA 0.208 nan 4.420 nan 0.000 0.267 313 P C 0.545 177.703 177.300 -0.236 0.000 1.205 313 P CA 0.591 63.333 63.100 -0.598 0.000 0.765 313 P CB 0.837 32.462 31.700 -0.125 0.000 0.828 314 A N 3.930 126.683 122.820 -0.111 0.000 2.860 314 A HA -0.242 4.078 4.320 0.000 0.000 0.267 314 A C 0.986 178.535 177.584 -0.059 0.000 1.421 314 A CA 1.043 53.062 52.037 -0.031 0.000 0.831 314 A CB -2.679 16.327 19.000 0.009 0.000 1.041 314 A HN 0.585 nan 8.150 nan 0.000 0.623 315 D N -1.709 118.619 120.400 -0.119 0.000 3.059 315 D HA -0.207 4.433 4.640 0.000 0.000 0.222 315 D C -0.107 176.155 176.300 -0.064 0.000 1.185 315 D CA 2.186 56.130 54.000 -0.092 0.000 0.904 315 D CB -1.179 39.596 40.800 -0.042 0.000 1.122 315 D HN 0.979 nan 8.370 nan 0.000 0.410 316 D N -0.011 120.350 120.400 -0.064 0.000 2.365 316 D HA 0.221 4.861 4.640 0.000 0.000 0.237 316 D C 1.497 177.793 176.300 -0.006 0.000 1.190 316 D CA -0.268 53.718 54.000 -0.023 0.000 0.867 316 D CB 0.352 41.153 40.800 0.001 0.000 1.050 316 D HN 0.079 nan 8.370 nan 0.000 0.491 317 L N 2.464 123.696 121.223 0.015 0.000 2.141 317 L HA -0.106 4.234 4.340 0.000 0.000 0.209 317 L C 2.072 178.986 176.870 0.073 0.000 1.094 317 L CA 1.303 56.185 54.840 0.070 0.000 0.763 317 L CB -0.410 41.671 42.059 0.037 0.000 0.908 317 L HN 0.529 nan 8.230 nan 0.000 0.437 318 T N -3.935 110.634 114.554 0.025 0.000 3.361 318 T HA -0.038 4.312 4.350 0.000 0.000 0.251 318 T C 0.273 175.005 174.700 0.053 0.000 1.131 318 T CA -0.359 61.755 62.100 0.024 0.000 1.001 318 T CB -0.746 68.121 68.868 -0.002 0.000 1.003 318 T HN 0.169 nan 8.240 nan 0.000 0.558 319 D N 1.787 122.232 120.400 0.076 0.000 2.348 319 D HA 0.213 4.853 4.640 0.000 0.000 0.253 319 D C -1.331 175.020 176.300 0.084 0.000 1.161 319 D CA -2.102 51.964 54.000 0.110 0.000 0.876 319 D CB 1.226 42.106 40.800 0.133 0.000 1.160 319 D HN -0.101 nan 8.370 nan 0.000 0.459 320 P HA -0.319 nan 4.420 nan 0.000 0.220 320 P C 0.781 177.985 177.300 -0.161 0.000 1.155 320 P CA 2.115 65.164 63.100 -0.085 0.000 0.880 320 P CB 0.062 31.664 31.700 -0.164 0.000 0.790 321 A N -0.114 122.549 122.820 -0.261 0.000 1.834 321 A HA -0.147 4.173 4.320 0.000 0.000 0.216 321 A C 0.032 177.699 177.584 0.138 0.000 1.203 321 A CA 2.672 54.663 52.037 -0.076 0.000 0.621 321 A CB -2.281 16.867 19.000 0.246 0.000 0.841 321 A HN 0.215 nan 8.150 nan 0.000 0.446 322 P HA -0.166 nan 4.420 nan 0.000 0.215 322 P C 1.596 179.121 177.300 0.374 0.000 1.153 322 P CA 2.126 65.387 63.100 0.269 0.000 0.853 322 P CB -0.292 31.576 31.700 0.280 0.000 0.788 323 A N -0.254 122.750 122.820 0.307 0.000 1.986 323 A HA -0.193 4.127 4.320 0.000 0.000 0.220 323 A C 2.325 180.076 177.584 0.278 0.000 1.171 323 A CA 2.535 54.751 52.037 0.298 0.000 0.640 323 A CB -1.926 17.149 19.000 0.124 0.000 0.811 323 A HN 0.228 nan 8.150 nan 0.000 0.451 324 T N -0.579 114.095 114.554 0.200 0.000 2.942 324 T HA -0.057 4.293 4.350 0.000 0.000 0.265 324 T C 1.934 176.784 174.700 0.250 0.000 1.062 324 T CA 1.683 63.887 62.100 0.172 0.000 1.139 324 T CB -0.333 68.606 68.868 0.117 0.000 0.883 324 T HN 0.613 nan 8.240 nan 0.000 0.468 325 T N 1.706 116.422 114.554 0.269 0.000 2.867 325 T HA 0.019 4.369 4.350 0.000 0.000 0.268 325 T C 1.527 176.384 174.700 0.261 0.000 1.057 325 T CA 0.647 62.901 62.100 0.257 0.000 1.136 325 T CB -0.513 68.414 68.868 0.099 0.000 0.874 325 T HN 0.257 nan 8.240 nan 0.000 0.466 326 F N 2.252 122.357 119.950 0.259 0.000 2.087 326 F HA -0.184 4.344 4.527 0.000 0.000 0.299 326 F C 2.707 178.540 175.800 0.055 0.000 1.100 326 F CA 1.176 59.248 58.000 0.119 0.000 1.226 326 F CB -0.863 38.107 39.000 -0.050 0.000 0.983 326 F HN 0.164 nan 8.300 nan 0.000 0.479 327 A N -1.555 121.366 122.820 0.168 0.000 2.131 327 A HA -0.207 4.113 4.320 0.000 0.000 0.220 327 A C 1.752 179.270 177.584 -0.110 0.000 1.158 327 A CA 1.638 53.659 52.037 -0.027 0.000 0.665 327 A CB -0.909 18.000 19.000 -0.152 0.000 0.795 327 A HN 0.515 nan 8.150 nan 0.000 0.460 328 H N -1.345 117.771 119.070 0.077 0.000 2.563 328 H HA 0.304 4.860 4.556 0.000 0.000 0.264 328 H C -0.197 175.141 175.328 0.016 0.000 0.957 328 H CA 0.292 56.357 56.048 0.030 0.000 1.173 328 H CB 0.146 29.908 29.762 -0.000 0.000 1.420 328 H HN 0.366 nan 8.280 nan 0.000 0.551 329 L N 0.642 121.946 121.223 0.134 0.000 2.329 329 L HA 0.219 4.559 4.340 0.000 0.000 0.279 329 L C 1.008 177.922 176.870 0.073 0.000 1.014 329 L CA -0.651 54.241 54.840 0.086 0.000 0.814 329 L CB 1.981 44.098 42.059 0.096 0.000 1.257 329 L HN -0.129 nan 8.230 nan 0.000 0.424 330 D N 1.775 122.201 120.400 0.044 0.000 2.178 330 D HA 0.002 4.642 4.640 0.000 0.000 0.202 330 D C 0.497 176.843 176.300 0.078 0.000 0.974 330 D CA 1.108 55.137 54.000 0.049 0.000 0.841 330 D CB 0.458 41.275 40.800 0.028 0.000 0.953 330 D HN 0.579 nan 8.370 nan 0.000 0.478 331 A N 0.419 123.292 122.820 0.089 0.000 2.398 331 A HA 0.498 4.818 4.320 0.000 0.000 0.301 331 A C -0.402 177.279 177.584 0.163 0.000 1.041 331 A CA -0.628 51.500 52.037 0.151 0.000 0.711 331 A CB 1.712 20.866 19.000 0.257 0.000 1.240 331 A HN -0.018 nan 8.150 nan 0.000 0.420 332 T N -0.128 114.534 114.554 0.179 0.000 2.786 332 T HA 0.646 4.996 4.350 0.000 0.000 0.283 332 T C -0.452 174.359 174.700 0.186 0.000 0.992 332 T CA -0.331 61.881 62.100 0.186 0.000 0.954 332 T CB 0.898 69.832 68.868 0.110 0.000 0.934 332 T HN 0.461 nan 8.240 nan 0.000 0.440 333 T N 4.124 118.810 114.554 0.219 0.000 2.756 333 T HA 0.489 4.839 4.350 0.000 0.000 0.290 333 T C -0.199 174.577 174.700 0.126 0.000 0.985 333 T CA -0.512 61.670 62.100 0.136 0.000 0.955 333 T CB 0.955 69.863 68.868 0.067 0.000 0.930 333 T HN 0.634 nan 8.240 nan 0.000 0.451 334 V N 5.931 125.897 119.914 0.086 0.000 2.347 334 V HA 0.392 4.512 4.120 0.000 0.000 0.280 334 V C 0.106 176.236 176.094 0.058 0.000 1.021 334 V CA -0.778 61.579 62.300 0.095 0.000 0.847 334 V CB 0.961 32.816 31.823 0.054 0.000 0.990 334 V HN 0.739 nan 8.190 nan 0.000 0.444 335 L N 3.918 125.179 121.223 0.064 0.000 2.357 335 L HA 0.662 5.002 4.340 0.000 0.000 0.273 335 L C 0.345 177.241 176.870 0.043 0.000 1.080 335 L CA 0.036 54.907 54.840 0.052 0.000 0.803 335 L CB 1.715 43.813 42.059 0.065 0.000 1.174 335 L HN 0.684 nan 8.230 nan 0.000 0.443 336 S N 1.246 116.960 115.700 0.024 0.000 2.536 336 S HA 0.357 4.827 4.470 0.000 0.000 0.287 336 S C 0.480 175.076 174.600 -0.007 0.000 1.101 336 S CA -0.785 57.419 58.200 0.006 0.000 0.950 336 S CB 2.111 65.309 63.200 -0.004 0.000 1.056 336 S HN 0.720 nan 8.310 nan 0.000 0.481 337 R N 2.959 123.457 120.500 -0.004 0.000 2.075 337 R HA 0.037 4.377 4.340 0.000 0.000 0.232 337 R C 2.105 178.391 176.300 -0.025 0.000 1.126 337 R CA 1.970 58.066 56.100 -0.006 0.000 0.963 337 R CB -1.083 29.219 30.300 0.003 0.000 0.858 337 R HN 0.839 nan 8.270 nan 0.000 0.435 338 G N 1.643 110.428 108.800 -0.024 0.000 2.446 338 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 338 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 338 G C 1.291 176.167 174.900 -0.041 0.000 1.168 338 G CA 0.865 45.947 45.100 -0.029 0.000 0.771 338 G HN 0.173 nan 8.290 nan 0.000 0.551 339 I N 2.375 122.917 120.570 -0.046 0.000 2.099 339 I HA -0.197 3.973 4.170 0.000 0.000 0.239 339 I C 3.215 179.249 176.117 -0.138 0.000 1.066 339 I CA 1.898 63.160 61.300 -0.064 0.000 1.324 339 I CB -1.497 36.473 38.000 -0.049 0.000 1.037 339 I HN 0.379 nan 8.210 nan 0.000 0.401 340 S N 0.264 115.850 115.700 -0.191 0.000 2.399 340 S HA -0.198 4.273 4.470 0.000 0.000 0.231 340 S C 1.834 176.280 174.600 -0.256 0.000 1.022 340 S CA 1.191 59.151 58.200 -0.400 0.000 0.983 340 S CB -0.663 62.378 63.200 -0.266 0.000 0.803 340 S HN 0.484 nan 8.310 nan 0.000 0.480 341 E N 0.847 120.986 120.200 -0.102 0.000 2.338 341 E HA 0.102 4.452 4.350 0.000 0.000 0.197 341 E C 1.503 178.086 176.600 -0.028 0.000 1.007 341 E CA 0.622 57.000 56.400 -0.037 0.000 0.849 341 E CB -0.256 29.435 29.700 -0.015 0.000 0.774 341 E HN 0.554 nan 8.360 nan 0.000 0.506 342 L N -0.848 120.346 121.223 -0.049 0.000 2.599 342 L HA 0.117 4.457 4.340 0.000 0.000 0.230 342 L C 1.279 178.155 176.870 0.009 0.000 1.141 342 L CA 0.441 55.271 54.840 -0.016 0.000 0.877 342 L CB -0.083 41.974 42.059 -0.002 0.000 1.009 342 L HN 0.317 nan 8.230 nan 0.000 0.447 343 G N 0.719 109.513 108.800 -0.009 0.000 2.136 343 G HA2 -0.239 3.721 3.960 0.000 0.000 0.242 343 G HA3 -0.239 3.721 3.960 0.000 0.000 0.242 343 G C 0.180 175.182 174.900 0.171 0.000 0.989 343 G CA -0.386 44.791 45.100 0.128 0.000 0.682 343 G HN 0.175 nan 8.290 nan 0.000 0.522 344 I N 1.315 121.845 120.570 -0.067 0.000 2.269 344 I HA 0.397 4.568 4.170 0.000 0.000 0.293 344 I C -0.109 175.839 176.117 -0.283 0.000 1.106 344 I CA -1.054 60.230 61.300 -0.025 0.000 1.248 344 I CB -0.497 37.508 38.000 0.008 0.000 1.444 344 I HN 0.053 nan 8.210 nan 0.000 0.497 345 Y N 7.495 127.770 120.300 -0.041 0.000 2.360 345 Y HA 0.441 4.992 4.550 0.000 0.000 0.337 345 Y C -1.879 173.846 175.900 -0.292 0.000 1.039 345 Y CA -2.453 55.562 58.100 -0.143 0.000 1.109 345 Y CB 1.373 39.721 38.460 -0.187 0.000 1.201 345 Y HN 0.397 nan 8.280 nan 0.000 0.458 346 P HA 0.079 nan 4.420 nan 0.000 0.272 346 P C -0.308 177.075 177.300 0.137 0.000 1.230 346 P CA -0.211 63.003 63.100 0.189 0.000 0.788 346 P CB 1.075 33.093 31.700 0.530 0.000 0.949 347 A N 2.162 125.071 122.820 0.149 0.000 2.236 347 A HA 0.120 4.440 4.320 0.000 0.000 0.214 347 A C 0.713 178.324 177.584 0.046 0.000 1.287 347 A CA -0.085 51.954 52.037 0.004 0.000 0.909 347 A CB -1.248 17.760 19.000 0.012 0.000 0.839 347 A HN 0.376 nan 8.150 nan 0.000 0.486 348 V N 1.539 121.510 119.914 0.095 0.000 2.540 348 V HA -0.019 4.101 4.120 0.000 0.000 0.297 348 V C 0.434 176.552 176.094 0.039 0.000 1.024 348 V CA -0.053 62.293 62.300 0.077 0.000 1.105 348 V CB 0.614 32.509 31.823 0.120 0.000 0.938 348 V HN 0.562 nan 8.190 nan 0.000 0.482 349 D N 8.261 128.676 120.400 0.026 0.000 2.352 349 D HA 0.180 4.820 4.640 0.000 0.000 0.245 349 D C -1.070 175.233 176.300 0.005 0.000 1.224 349 D CA -2.209 51.797 54.000 0.010 0.000 0.879 349 D CB 1.699 42.499 40.800 0.000 0.000 1.057 349 D HN 0.260 nan 8.370 nan 0.000 0.491 350 P HA -0.105 nan 4.420 nan 0.000 0.222 350 P C 1.475 178.759 177.300 -0.027 0.000 1.147 350 P CA 0.712 63.803 63.100 -0.015 0.000 0.790 350 P CB 0.621 32.316 31.700 -0.009 0.000 0.780 351 L N -0.551 120.658 121.223 -0.023 0.000 2.189 351 L HA 0.045 4.385 4.340 0.000 0.000 0.199 351 L C 2.334 179.181 176.870 -0.037 0.000 1.074 351 L CA 1.221 56.041 54.840 -0.033 0.000 0.783 351 L CB -1.005 41.034 42.059 -0.033 0.000 0.955 351 L HN -0.099 nan 8.230 nan 0.000 0.460 352 D N 0.010 120.388 120.400 -0.036 0.000 2.348 352 D HA -0.055 4.585 4.640 0.000 0.000 0.216 352 D C 0.679 176.962 176.300 -0.028 0.000 0.970 352 D CA 0.259 54.230 54.000 -0.048 0.000 0.889 352 D CB 0.225 40.991 40.800 -0.057 0.000 0.912 352 D HN 0.006 nan 8.370 nan 0.000 0.524 353 S N 0.301 115.997 115.700 -0.006 0.000 2.549 353 S HA 0.293 4.763 4.470 0.000 0.000 0.279 353 S C 0.026 174.637 174.600 0.017 0.000 1.321 353 S CA -0.086 58.126 58.200 0.020 0.000 1.054 353 S CB 1.055 64.273 63.200 0.030 0.000 0.899 353 S HN 0.079 nan 8.310 nan 0.000 0.497 354 K N 1.103 121.530 120.400 0.045 0.000 2.508 354 K HA 0.624 4.944 4.320 0.000 0.000 0.260 354 K C -1.160 175.489 176.600 0.082 0.000 0.949 354 K CA -0.680 55.633 56.287 0.044 0.000 0.834 354 K CB 2.133 34.650 32.500 0.028 0.000 1.365 354 K HN 0.496 nan 8.250 nan 0.000 0.437 355 S N 0.687 116.432 115.700 0.076 0.000 2.566 355 S HA 0.175 4.645 4.470 0.000 0.000 0.273 355 S C 0.584 175.229 174.600 0.075 0.000 1.157 355 S CA -0.842 57.415 58.200 0.096 0.000 0.938 355 S CB 1.162 64.430 63.200 0.114 0.000 1.087 355 S HN 0.777 nan 8.310 nan 0.000 0.474 356 R N 4.053 124.595 120.500 0.070 0.000 2.117 356 R HA -0.046 4.294 4.340 0.000 0.000 0.243 356 R C 1.231 177.564 176.300 0.054 0.000 1.143 356 R CA 1.480 57.614 56.100 0.056 0.000 0.968 356 R CB -0.824 29.502 30.300 0.044 0.000 0.863 356 R HN 0.665 nan 8.270 nan 0.000 0.444 357 L N 0.974 122.228 121.223 0.051 0.000 2.261 357 L HA -0.055 4.285 4.340 0.000 0.000 0.216 357 L C 1.186 178.081 176.870 0.042 0.000 1.114 357 L CA 0.485 55.345 54.840 0.034 0.000 0.777 357 L CB -0.645 41.428 42.059 0.023 0.000 0.910 357 L HN 0.199 nan 8.230 nan 0.000 0.440 358 L N 2.002 123.270 121.223 0.075 0.000 2.505 358 L HA 0.071 4.411 4.340 0.000 0.000 0.279 358 L C -0.397 176.630 176.870 0.261 0.000 1.211 358 L CA 0.525 55.448 54.840 0.139 0.000 1.059 358 L CB -0.594 41.525 42.059 0.100 0.000 1.340 358 L HN 0.114 nan 8.230 nan 0.000 0.447 359 D N 2.133 122.663 120.400 0.217 0.000 2.886 359 D HA 0.371 5.011 4.640 0.000 0.000 0.216 359 D C 0.555 176.832 176.300 -0.037 0.000 1.256 359 D CA 0.018 54.056 54.000 0.063 0.000 0.844 359 D CB 1.515 42.319 40.800 0.006 0.000 1.669 359 D HN 0.223 nan 8.370 nan 0.000 0.513 360 A N 3.052 125.705 122.820 -0.279 0.000 1.940 360 A HA 0.065 4.385 4.320 0.000 0.000 0.219 360 A C 2.138 179.675 177.584 -0.079 0.000 1.176 360 A CA 2.246 54.183 52.037 -0.165 0.000 0.631 360 A CB -1.032 17.810 19.000 -0.264 0.000 0.814 360 A HN 0.884 nan 8.150 nan 0.000 0.446 361 A N -0.912 121.854 122.820 -0.090 0.000 2.139 361 A HA 0.045 4.365 4.320 0.000 0.000 0.221 361 A C 1.952 179.514 177.584 -0.038 0.000 1.159 361 A CA 2.008 54.011 52.037 -0.056 0.000 0.662 361 A CB -0.470 18.498 19.000 -0.054 0.000 0.796 361 A HN 0.551 nan 8.150 nan 0.000 0.463 362 V N -1.464 118.428 119.914 -0.036 0.000 3.048 362 V HA 0.000 4.120 4.120 0.000 0.000 0.241 362 V C 1.879 177.938 176.094 -0.059 0.000 1.129 362 V CA 1.179 63.457 62.300 -0.037 0.000 1.128 362 V CB 0.433 32.238 31.823 -0.029 0.000 0.849 362 V HN 0.554 nan 8.190 nan 0.000 0.475 363 V N -2.029 117.842 119.914 -0.073 0.000 3.477 363 V HA 0.814 4.934 4.120 0.000 0.000 0.297 363 V C 0.706 176.781 176.094 -0.032 0.000 1.433 363 V CA 0.144 62.354 62.300 -0.149 0.000 1.052 363 V CB -0.326 31.245 31.823 -0.419 0.000 0.895 363 V HN 0.873 nan 8.190 nan 0.000 0.438 364 G N 0.888 109.695 108.800 0.012 0.000 2.730 364 G HA2 -0.198 3.762 3.960 0.000 0.000 0.686 364 G HA3 -0.198 3.762 3.960 0.000 0.000 0.686 364 G C -0.108 174.854 174.900 0.103 0.000 1.343 364 G CA 0.379 45.510 45.100 0.053 0.000 0.826 364 G HN 0.530 nan 8.290 nan 0.000 0.582 365 Q N -0.142 119.710 119.800 0.087 0.000 2.049 365 Q HA 0.017 4.357 4.340 0.000 0.000 0.198 365 Q C 2.471 178.578 176.000 0.178 0.000 0.971 365 Q CA 2.509 58.379 55.803 0.112 0.000 0.833 365 Q CB -0.301 28.474 28.738 0.062 0.000 0.896 365 Q HN 0.804 nan 8.270 nan 0.000 0.434 366 E N -0.937 119.348 120.200 0.143 0.000 2.058 366 E HA -0.303 4.047 4.350 0.000 0.000 0.194 366 E C 1.957 178.650 176.600 0.156 0.000 0.997 366 E CA 1.265 57.743 56.400 0.131 0.000 0.801 366 E CB -0.342 29.422 29.700 0.106 0.000 0.746 366 E HN 0.540 nan 8.360 nan 0.000 0.450 367 H N -0.347 118.776 119.070 0.088 0.000 2.289 367 H HA -0.226 4.330 4.556 0.000 0.000 0.296 367 H C 1.987 177.360 175.328 0.075 0.000 1.091 367 H CA 2.128 58.219 56.048 0.071 0.000 1.274 367 H CB -0.648 29.154 29.762 0.067 0.000 1.364 367 H HN 0.363 nan 8.280 nan 0.000 0.490 368 Y N 1.578 122.010 120.300 0.221 0.000 2.207 368 Y HA -0.197 4.353 4.550 0.000 0.000 0.287 368 Y C 2.096 178.036 175.900 0.067 0.000 1.156 368 Y CA 1.948 60.127 58.100 0.133 0.000 1.182 368 Y CB -0.061 38.446 38.460 0.078 0.000 0.979 368 Y HN 0.233 nan 8.280 nan 0.000 0.521 369 D N -0.758 119.758 120.400 0.195 0.000 2.103 369 D HA -0.159 4.481 4.640 0.000 0.000 0.199 369 D C 2.434 178.731 176.300 -0.005 0.000 0.978 369 D CA 1.528 55.587 54.000 0.098 0.000 0.829 369 D CB -0.567 40.309 40.800 0.126 0.000 0.981 369 D HN 0.278 nan 8.370 nan 0.000 0.464 370 V N 1.860 121.769 119.914 -0.008 0.000 2.252 370 V HA -0.293 3.827 4.120 0.000 0.000 0.249 370 V C 2.599 178.624 176.094 -0.116 0.000 1.056 370 V CA 2.121 64.396 62.300 -0.042 0.000 1.022 370 V CB -0.958 30.829 31.823 -0.059 0.000 0.641 370 V HN 0.198 nan 8.190 nan 0.000 0.445 371 A N -0.578 122.132 122.820 -0.183 0.000 1.940 371 A HA -0.221 4.099 4.320 0.000 0.000 0.219 371 A C 2.450 179.895 177.584 -0.232 0.000 1.176 371 A CA 2.386 54.284 52.037 -0.230 0.000 0.631 371 A CB -0.624 18.260 19.000 -0.194 0.000 0.814 371 A HN 0.542 nan 8.150 nan 0.000 0.446 372 S N -0.803 114.735 115.700 -0.270 0.000 2.371 372 S HA -0.088 4.382 4.470 0.000 0.000 0.224 372 S C 1.974 176.505 174.600 -0.115 0.000 1.029 372 S CA 1.428 59.486 58.200 -0.237 0.000 0.978 372 S CB -0.172 62.873 63.200 -0.260 0.000 0.833 372 S HN 0.667 nan 8.310 nan 0.000 0.466 373 K N 1.240 121.595 120.400 -0.074 0.000 2.002 373 K HA -0.045 4.275 4.320 0.000 0.000 0.209 373 K C 1.987 178.575 176.600 -0.021 0.000 1.048 373 K CA 1.120 57.390 56.287 -0.028 0.000 0.930 373 K CB -0.482 32.017 32.500 -0.000 0.000 0.714 373 K HN 0.068 nan 8.250 nan 0.000 0.438 374 V N 1.650 121.548 119.914 -0.028 0.000 2.277 374 V HA -0.388 3.732 4.120 0.000 0.000 0.255 374 V C 2.376 178.454 176.094 -0.027 0.000 1.074 374 V CA 2.167 64.457 62.300 -0.016 0.000 1.058 374 V CB -0.471 31.298 31.823 -0.089 0.000 0.656 374 V HN 0.482 nan 8.190 nan 0.000 0.449 375 Q N -1.007 118.756 119.800 -0.062 0.000 2.046 375 Q HA -0.245 4.095 4.340 0.000 0.000 0.200 375 Q C 2.279 178.266 176.000 -0.022 0.000 0.975 375 Q CA 1.947 57.720 55.803 -0.050 0.000 0.836 375 Q CB -0.165 28.525 28.738 -0.079 0.000 0.896 375 Q HN 0.729 nan 8.270 nan 0.000 0.428 376 E N -0.208 119.979 120.200 -0.022 0.000 2.058 376 E HA -0.180 4.170 4.350 0.000 0.000 0.194 376 E C 2.042 178.652 176.600 0.017 0.000 0.997 376 E CA 1.687 58.085 56.400 -0.003 0.000 0.801 376 E CB -0.110 29.589 29.700 -0.003 0.000 0.746 376 E HN 0.305 nan 8.360 nan 0.000 0.450 377 T N 1.800 116.367 114.554 0.021 0.000 2.570 377 T HA -0.216 4.134 4.350 0.000 0.000 0.266 377 T C 1.969 176.715 174.700 0.077 0.000 1.071 377 T CA 1.434 63.557 62.100 0.039 0.000 1.172 377 T CB -0.509 68.377 68.868 0.031 0.000 0.864 377 T HN 0.088 nan 8.240 nan 0.000 0.421 378 L N 0.847 122.118 121.223 0.080 0.000 2.131 378 L HA -0.126 4.214 4.340 0.000 0.000 0.210 378 L C 2.891 179.816 176.870 0.091 0.000 1.092 378 L CA 1.021 55.939 54.840 0.129 0.000 0.759 378 L CB -0.554 41.559 42.059 0.090 0.000 0.903 378 L HN 0.205 nan 8.230 nan 0.000 0.435 379 Q N 0.042 119.868 119.800 0.043 0.000 2.079 379 Q HA -0.147 4.193 4.340 0.000 0.000 0.200 379 Q C 2.112 178.125 176.000 0.022 0.000 0.974 379 Q CA 2.339 58.150 55.803 0.014 0.000 0.840 379 Q CB -0.471 28.267 28.738 -0.000 0.000 0.898 379 Q HN 0.375 nan 8.270 nan 0.000 0.430 380 T N 0.136 114.719 114.554 0.047 0.000 2.643 380 T HA -0.177 4.173 4.350 0.000 0.000 0.264 380 T C 1.332 176.089 174.700 0.096 0.000 1.045 380 T CA 1.478 63.612 62.100 0.057 0.000 1.155 380 T CB -0.782 68.123 68.868 0.061 0.000 0.863 380 T HN 0.416 nan 8.240 nan 0.000 0.420 381 Y N 2.259 122.553 120.300 -0.009 0.000 2.181 381 Y HA -0.186 4.364 4.550 -0.000 0.000 0.284 381 Y C 2.354 178.249 175.900 -0.009 0.000 1.179 381 Y CA 1.327 59.422 58.100 -0.008 0.000 1.179 381 Y CB -0.378 38.078 38.460 -0.008 0.000 0.973 381 Y HN 0.066 nan 8.280 nan 0.000 0.519 382 K N -0.714 119.591 120.400 -0.159 0.000 2.026 382 K HA -0.149 4.171 4.320 0.000 0.000 0.208 382 K C 2.350 178.864 176.600 -0.144 0.000 1.048 382 K CA 1.509 57.661 56.287 -0.225 0.000 0.929 382 K CB -0.247 32.179 32.500 -0.124 0.000 0.713 382 K HN 0.268 nan 8.250 nan 0.000 0.439 383 S N 1.057 116.716 115.700 -0.068 0.000 2.399 383 S HA -0.038 4.432 4.470 0.000 0.000 0.231 383 S C 1.662 176.240 174.600 -0.037 0.000 1.022 383 S CA 0.825 59.000 58.200 -0.043 0.000 0.983 383 S CB -0.018 63.172 63.200 -0.016 0.000 0.803 383 S HN 0.264 nan 8.310 nan 0.000 0.480 384 L N 0.858 122.067 121.223 -0.025 0.000 2.492 384 L HA 0.083 4.423 4.340 0.000 0.000 0.223 384 L C 2.180 179.034 176.870 -0.027 0.000 1.132 384 L CA 0.395 55.235 54.840 -0.000 0.000 0.850 384 L CB -0.356 41.737 42.059 0.057 0.000 0.966 384 L HN 0.296 nan 8.230 nan 0.000 0.454 385 Q N 0.013 119.754 119.800 -0.099 0.000 2.364 385 Q HA -0.208 4.133 4.340 0.000 0.000 0.209 385 Q C 1.354 177.318 176.000 -0.060 0.000 0.977 385 Q CA 1.050 56.786 55.803 -0.113 0.000 0.885 385 Q CB 0.079 28.690 28.738 -0.212 0.000 0.941 385 Q HN 0.425 nan 8.270 nan 0.000 0.464 386 D N 0.247 120.619 120.400 -0.047 0.000 2.077 386 D HA -0.124 4.516 4.640 0.000 0.000 0.196 386 D C 1.566 177.857 176.300 -0.015 0.000 0.986 386 D CA 1.078 55.061 54.000 -0.029 0.000 0.829 386 D CB -0.022 40.763 40.800 -0.025 0.000 0.983 386 D HN 0.176 nan 8.370 nan 0.000 0.453 387 I N 0.987 121.553 120.570 -0.007 0.000 2.454 387 I HA -0.194 3.976 4.170 0.000 0.000 0.254 387 I C 2.110 178.232 176.117 0.010 0.000 1.156 387 I CA 0.491 61.793 61.300 0.003 0.000 1.433 387 I CB -0.147 37.858 38.000 0.008 0.000 1.082 387 I HN 0.062 nan 8.210 nan 0.000 0.432 388 I N 0.740 121.318 120.570 0.013 0.000 2.233 388 I HA -0.182 3.988 4.170 0.000 0.000 0.243 388 I C 2.746 178.872 176.117 0.015 0.000 1.093 388 I CA 1.454 62.769 61.300 0.025 0.000 1.380 388 I CB -1.689 36.340 38.000 0.049 0.000 1.067 388 I HN 0.203 nan 8.210 nan 0.000 0.413 389 A N 1.413 124.234 122.820 0.003 0.000 1.841 389 A HA -0.211 4.109 4.320 0.000 0.000 0.216 389 A C 2.291 179.876 177.584 0.001 0.000 1.199 389 A CA 1.929 53.966 52.037 -0.001 0.000 0.621 389 A CB -0.903 18.091 19.000 -0.010 0.000 0.835 389 A HN 0.288 nan 8.150 nan 0.000 0.445 390 I N -0.669 119.900 120.570 -0.001 0.000 2.163 390 I HA -0.129 4.041 4.170 0.000 0.000 0.240 390 I C 1.562 177.681 176.117 0.003 0.000 1.081 390 I CA 1.279 62.579 61.300 -0.000 0.000 1.353 390 I CB -0.193 37.805 38.000 -0.003 0.000 1.054 390 I HN 0.226 nan 8.210 nan 0.000 0.407 391 L N -0.298 120.927 121.223 0.005 0.000 2.965 391 L HA 0.472 4.812 4.340 0.000 0.000 0.254 391 L C 0.912 177.787 176.870 0.009 0.000 1.220 391 L CA -0.207 54.637 54.840 0.006 0.000 1.023 391 L CB -0.793 41.269 42.059 0.006 0.000 1.355 391 L HN 0.387 nan 8.230 nan 0.000 0.545 392 G N 1.212 110.018 108.800 0.011 0.000 2.645 392 G HA2 -0.401 3.560 3.960 0.000 0.000 0.246 392 G HA3 -0.401 3.560 3.960 0.000 0.000 0.246 392 G C 0.206 175.119 174.900 0.022 0.000 1.322 392 G CA 0.420 45.529 45.100 0.015 0.000 0.898 392 G HN 0.215 nan 8.290 nan 0.000 0.573 393 M N -0.337 119.277 119.600 0.024 0.000 2.514 393 M HA 0.169 4.649 4.480 0.000 0.000 0.258 393 M C 1.797 178.109 176.300 0.020 0.000 1.119 393 M CA 2.022 57.339 55.300 0.028 0.000 1.111 393 M CB -0.288 32.329 32.600 0.028 0.000 1.390 393 M HN 0.668 nan 8.290 nan 0.000 0.475 394 D N 0.805 121.214 120.400 0.015 0.000 2.103 394 D HA -0.242 4.398 4.640 0.000 0.000 0.190 394 D C 0.445 176.752 176.300 0.011 0.000 0.997 394 D CA 1.312 55.319 54.000 0.011 0.000 0.833 394 D CB -0.091 40.714 40.800 0.009 0.000 0.961 394 D HN 0.426 nan 8.370 nan 0.000 0.447 395 E N 0.005 120.212 120.200 0.012 0.000 2.467 395 E HA 0.126 4.476 4.350 0.000 0.000 0.321 395 E C -0.941 175.666 176.600 0.012 0.000 1.388 395 E CA -0.107 56.299 56.400 0.010 0.000 1.508 395 E CB -0.440 29.265 29.700 0.009 0.000 1.250 395 E HN 0.070 nan 8.360 nan 0.000 0.500 396 L N 0.847 122.078 121.223 0.013 0.000 2.401 396 L HA 0.371 4.711 4.340 0.000 0.000 0.266 396 L C 0.065 176.942 176.870 0.012 0.000 0.991 396 L CA -0.697 54.152 54.840 0.015 0.000 0.818 396 L CB 1.657 43.728 42.059 0.020 0.000 1.321 396 L HN 0.218 nan 8.230 nan 0.000 0.413 397 S N 1.734 117.441 115.700 0.012 0.000 2.559 397 S HA 0.025 4.495 4.470 0.000 0.000 0.282 397 S C 1.056 175.661 174.600 0.009 0.000 1.336 397 S CA 0.092 58.297 58.200 0.010 0.000 1.037 397 S CB 0.607 63.814 63.200 0.010 0.000 0.853 397 S HN 0.583 nan 8.310 nan 0.000 0.523 398 E N 2.018 122.222 120.200 0.007 0.000 2.107 398 E HA -0.130 4.220 4.350 0.000 0.000 0.191 398 E C 2.000 178.602 176.600 0.004 0.000 0.982 398 E CA 0.946 57.348 56.400 0.005 0.000 0.809 398 E CB -0.485 29.217 29.700 0.003 0.000 0.756 398 E HN 0.858 nan 8.360 nan 0.000 0.459 399 Q N 0.763 120.566 119.800 0.005 0.000 2.061 399 Q HA -0.191 4.149 4.340 0.000 0.000 0.204 399 Q C 1.463 177.467 176.000 0.007 0.000 0.984 399 Q CA 1.580 57.387 55.803 0.005 0.000 0.846 399 Q CB 0.087 28.830 28.738 0.007 0.000 0.902 399 Q HN 0.170 nan 8.270 nan 0.000 0.421 400 D N 0.493 120.900 120.400 0.011 0.000 2.087 400 D HA -0.172 4.468 4.640 0.000 0.000 0.192 400 D C 1.837 178.146 176.300 0.013 0.000 0.993 400 D CA 1.208 55.219 54.000 0.018 0.000 0.828 400 D CB -0.186 40.629 40.800 0.024 0.000 0.968 400 D HN 0.232 nan 8.370 nan 0.000 0.448 401 K N 0.013 120.419 120.400 0.009 0.000 2.127 401 K HA -0.192 4.128 4.320 0.000 0.000 0.208 401 K C 2.190 178.782 176.600 -0.014 0.000 1.047 401 K CA 0.680 56.968 56.287 0.002 0.000 0.927 401 K CB -0.289 32.213 32.500 0.003 0.000 0.716 401 K HN 0.080 nan 8.250 nan 0.000 0.450 402 L N 0.667 121.882 121.223 -0.012 0.000 2.072 402 L HA -0.122 4.218 4.340 0.000 0.000 0.205 402 L C 2.268 179.117 176.870 -0.035 0.000 1.079 402 L CA 1.641 56.468 54.840 -0.021 0.000 0.752 402 L CB -0.496 41.556 42.059 -0.011 0.000 0.906 402 L HN 0.094 nan 8.230 nan 0.000 0.436 403 T N -1.194 113.347 114.554 -0.021 0.000 2.684 403 T HA -0.198 4.152 4.350 0.000 0.000 0.267 403 T C 1.908 176.568 174.700 -0.067 0.000 1.036 403 T CA 1.782 63.868 62.100 -0.023 0.000 1.148 403 T CB -0.293 68.581 68.868 0.010 0.000 0.863 403 T HN 0.145 nan 8.240 nan 0.000 0.436 404 V N 1.083 120.955 119.914 -0.070 0.000 2.261 404 V HA -0.174 3.946 4.120 0.000 0.000 0.246 404 V C 2.465 178.382 176.094 -0.296 0.000 1.047 404 V CA 1.786 63.970 62.300 -0.193 0.000 1.015 404 V CB -0.633 31.155 31.823 -0.057 0.000 0.642 404 V HN 0.505 nan 8.190 nan 0.000 0.446 405 E N -0.097 120.007 120.200 -0.161 0.000 2.086 405 E HA -0.271 4.079 4.350 0.000 0.000 0.200 405 E C 2.521 179.016 176.600 -0.176 0.000 1.012 405 E CA 1.606 57.923 56.400 -0.138 0.000 0.812 405 E CB -0.075 29.584 29.700 -0.068 0.000 0.743 405 E HN 0.462 nan 8.360 nan 0.000 0.453 406 R N -0.613 119.793 120.500 -0.156 0.000 2.115 406 R HA -0.017 4.323 4.340 0.000 0.000 0.226 406 R C 2.238 178.419 176.300 -0.200 0.000 1.100 406 R CA 0.777 56.781 56.100 -0.160 0.000 0.980 406 R CB -0.098 30.149 30.300 -0.089 0.000 0.875 406 R HN 0.129 nan 8.270 nan 0.000 0.445 407 A N 1.358 124.035 122.820 -0.238 0.000 1.898 407 A HA -0.140 4.180 4.320 0.000 0.000 0.216 407 A C 2.136 179.533 177.584 -0.311 0.000 1.181 407 A CA 0.965 52.856 52.037 -0.242 0.000 0.620 407 A CB -0.270 18.549 19.000 -0.301 0.000 0.819 407 A HN 0.187 nan 8.150 nan 0.000 0.442 408 R N -0.049 120.161 120.500 -0.483 0.000 2.073 408 R HA -0.108 4.233 4.340 0.000 0.000 0.234 408 R C 2.215 178.386 176.300 -0.215 0.000 1.134 408 R CA 1.701 57.606 56.100 -0.326 0.000 0.952 408 R CB -0.329 29.785 30.300 -0.310 0.000 0.850 408 R HN 0.485 nan 8.270 nan 0.000 0.433 409 K N 0.462 120.669 120.400 -0.321 0.000 2.074 409 K HA -0.160 4.160 4.320 0.000 0.000 0.209 409 K C 2.074 178.317 176.600 -0.594 0.000 1.048 409 K CA 1.386 57.282 56.287 -0.652 0.000 0.926 409 K CB -0.198 31.713 32.500 -0.981 0.000 0.713 409 K HN 0.194 nan 8.250 nan 0.000 0.444 410 I N 1.027 121.412 120.570 -0.309 0.000 2.353 410 I HA -0.273 3.897 4.170 0.000 0.000 0.248 410 I C 2.538 178.711 176.117 0.094 0.000 1.119 410 I CA 1.111 62.382 61.300 -0.050 0.000 1.417 410 I CB -0.077 37.964 38.000 0.069 0.000 1.078 410 I HN 0.245 nan 8.210 nan 0.000 0.421 411 Q N 0.340 120.171 119.800 0.051 0.000 2.061 411 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 411 Q C 2.338 178.427 176.000 0.148 0.000 0.984 411 Q CA 1.880 57.751 55.803 0.112 0.000 0.846 411 Q CB -0.024 28.785 28.738 0.118 0.000 0.902 411 Q HN 0.395 nan 8.270 nan 0.000 0.421 412 R N -0.579 120.012 120.500 0.152 0.000 2.075 412 R HA -0.111 4.229 4.340 0.000 0.000 0.232 412 R C 1.899 178.369 176.300 0.283 0.000 1.126 412 R CA 1.099 57.354 56.100 0.258 0.000 0.963 412 R CB -0.368 30.117 30.300 0.309 0.000 0.858 412 R HN 0.169 nan 8.270 nan 0.000 0.435 413 F N 0.929 120.909 119.950 0.049 0.000 2.583 413 F HA -0.037 4.490 4.527 -0.000 0.000 0.297 413 F C 1.282 177.175 175.800 0.154 0.000 1.131 413 F CA 0.905 58.915 58.000 0.017 0.000 1.467 413 F CB -0.000 38.844 39.000 -0.259 0.000 1.097 413 F HN -0.029 nan 8.300 nan 0.000 0.586 414 L N -0.964 120.374 121.223 0.191 0.000 2.375 414 L HA 0.016 4.356 4.340 0.000 0.000 0.215 414 L C 1.637 178.526 176.870 0.031 0.000 1.108 414 L CA 0.370 55.282 54.840 0.120 0.000 0.830 414 L CB -0.605 41.532 42.059 0.130 0.000 0.959 414 L HN 0.067 nan 8.230 nan 0.000 0.457 415 S N -0.192 115.523 115.700 0.025 0.000 2.617 415 S HA 0.322 4.792 4.470 0.000 0.000 0.259 415 S C -0.229 174.300 174.600 -0.118 0.000 1.301 415 S CA -0.406 57.757 58.200 -0.062 0.000 0.984 415 S CB 1.605 64.749 63.200 -0.094 0.000 0.954 415 S HN 0.287 nan 8.310 nan 0.000 0.572 416 Q N -0.271 119.412 119.800 -0.195 0.000 2.774 416 Q HA 0.258 4.598 4.340 0.000 0.000 0.232 416 Q C -3.252 172.620 176.000 -0.212 0.000 0.985 416 Q CA -1.212 54.499 55.803 -0.153 0.000 1.058 416 Q CB 1.671 30.373 28.738 -0.060 0.000 1.789 416 Q HN 0.580 nan 8.270 nan 0.000 0.487 417 P HA 0.224 nan 4.420 nan 0.000 0.282 417 P C -0.832 176.526 177.300 0.096 0.000 1.274 417 P CA -0.059 62.998 63.100 -0.071 0.000 0.770 417 P CB 0.143 31.821 31.700 -0.035 0.000 0.867 418 F N 1.832 121.764 119.950 -0.030 0.000 2.380 418 F HA 0.326 4.854 4.527 0.000 0.000 0.325 418 F C 1.868 177.646 175.800 -0.036 0.000 1.136 418 F CA -1.085 56.887 58.000 -0.047 0.000 1.171 418 F CB -0.186 38.784 39.000 -0.051 0.000 1.230 418 F HN 0.381 nan 8.300 nan 0.000 0.554 419 A N 1.920 124.823 122.820 0.139 0.000 1.854 419 A HA -0.027 4.293 4.320 0.000 0.000 0.214 419 A C 2.249 179.856 177.584 0.039 0.000 1.192 419 A CA 1.338 53.404 52.037 0.048 0.000 0.611 419 A CB -1.036 17.962 19.000 -0.003 0.000 0.832 419 A HN 0.541 nan 8.150 nan 0.000 0.442 420 V N -0.023 119.914 119.914 0.038 0.000 2.363 420 V HA -0.307 3.813 4.120 0.000 0.000 0.254 420 V C 2.478 178.620 176.094 0.081 0.000 1.074 420 V CA 2.034 64.360 62.300 0.043 0.000 1.069 420 V CB -0.862 30.986 31.823 0.042 0.000 0.659 420 V HN 0.606 nan 8.190 nan 0.000 0.455 421 A N -1.262 121.661 122.820 0.171 0.000 2.476 421 A HA 0.127 4.447 4.320 0.000 0.000 0.263 421 A C 1.822 179.426 177.584 0.033 0.000 1.342 421 A CA 0.430 52.611 52.037 0.240 0.000 0.926 421 A CB -0.418 18.792 19.000 0.350 0.000 1.019 421 A HN 0.603 nan 8.150 nan 0.000 0.515 422 E N -0.136 120.023 120.200 -0.068 0.000 2.153 422 E HA -0.152 4.198 4.350 0.000 0.000 0.194 422 E C 1.681 178.155 176.600 -0.210 0.000 0.988 422 E CA 1.608 57.950 56.400 -0.096 0.000 0.811 422 E CB -0.153 29.502 29.700 -0.076 0.000 0.746 422 E HN 0.512 nan 8.360 nan 0.000 0.466 423 V N -0.441 119.207 119.914 -0.442 0.000 2.828 423 V HA -0.216 3.904 4.120 0.000 0.000 0.260 423 V C 1.543 177.256 176.094 -0.634 0.000 1.101 423 V CA 1.414 63.340 62.300 -0.624 0.000 1.123 423 V CB -0.838 30.446 31.823 -0.899 0.000 0.704 423 V HN 0.199 nan 8.190 nan 0.000 0.493 424 F N 1.305 121.234 119.950 -0.036 0.000 2.500 424 F HA 0.134 4.662 4.527 0.000 0.000 0.285 424 F C 2.480 178.261 175.800 -0.032 0.000 1.088 424 F CA 1.014 58.983 58.000 -0.050 0.000 1.432 424 F CB -1.074 37.857 39.000 -0.114 0.000 1.131 424 F HN 0.208 nan 8.300 nan 0.000 0.582 425 T N -3.637 110.975 114.554 0.096 0.000 3.014 425 T HA 0.359 4.709 4.350 0.000 0.000 0.250 425 T C 1.939 176.660 174.700 0.035 0.000 1.060 425 T CA 0.506 62.647 62.100 0.069 0.000 1.040 425 T CB -0.088 68.807 68.868 0.044 0.000 0.971 425 T HN 0.395 nan 8.240 nan 0.000 0.497 426 G N 1.682 110.480 108.800 -0.002 0.000 2.200 426 G HA2 -0.277 3.683 3.960 0.000 0.000 0.268 426 G HA3 -0.277 3.683 3.960 0.000 0.000 0.268 426 G C 0.057 174.956 174.900 -0.002 0.000 0.986 426 G CA 0.590 45.683 45.100 -0.012 0.000 0.677 426 G HN 0.652 nan 8.290 nan 0.000 0.532 427 I N 1.646 122.218 120.570 0.003 0.000 2.353 427 I HA 0.360 4.530 4.170 0.000 0.000 0.293 427 I C -1.896 174.220 176.117 -0.002 0.000 0.992 427 I CA -2.612 58.689 61.300 0.003 0.000 1.268 427 I CB 1.699 39.699 38.000 0.001 0.000 1.387 427 I HN -0.172 nan 8.210 nan 0.000 0.478 428 P HA 0.069 nan 4.420 nan 0.000 0.268 428 P C -0.044 177.262 177.300 0.009 0.000 1.205 428 P CA -0.274 62.825 63.100 -0.000 0.000 0.771 428 P CB 0.451 32.150 31.700 -0.001 0.000 0.858 429 G N 3.174 111.984 108.800 0.018 0.000 2.343 429 G HA2 0.163 4.123 3.960 0.000 0.000 0.254 429 G HA3 0.163 4.123 3.960 0.000 0.000 0.254 429 G C -0.310 174.610 174.900 0.033 0.000 1.277 429 G CA -0.241 44.883 45.100 0.041 0.000 0.909 429 G HN 0.225 nan 8.290 nan 0.000 0.502 430 K N 2.066 122.493 120.400 0.046 0.000 2.274 430 K HA 0.401 4.721 4.320 0.000 0.000 0.262 430 K C -0.742 175.884 176.600 0.045 0.000 0.961 430 K CA -0.692 55.616 56.287 0.035 0.000 0.833 430 K CB 2.438 34.953 32.500 0.025 0.000 1.102 430 K HN 0.418 nan 8.250 nan 0.000 0.436 431 L N 2.821 124.060 121.223 0.028 0.000 2.329 431 L HA 0.468 4.808 4.340 0.000 0.000 0.279 431 L C -1.012 175.872 176.870 0.022 0.000 1.014 431 L CA -0.846 54.006 54.840 0.020 0.000 0.814 431 L CB 1.653 43.715 42.059 0.005 0.000 1.257 431 L HN 0.227 nan 8.230 nan 0.000 0.424 432 V N 4.576 124.503 119.914 0.021 0.000 2.495 432 V HA 0.559 4.679 4.120 0.000 0.000 0.298 432 V C -0.175 175.937 176.094 0.029 0.000 1.031 432 V CA -0.947 61.369 62.300 0.026 0.000 0.871 432 V CB 1.612 33.441 31.823 0.011 0.000 0.988 432 V HN 0.635 nan 8.190 nan 0.000 0.432 433 R N 2.614 123.138 120.500 0.040 0.000 2.438 433 R HA 0.268 4.608 4.340 0.000 0.000 0.287 433 R C 1.185 177.520 176.300 0.057 0.000 1.077 433 R CA -0.397 55.730 56.100 0.045 0.000 1.034 433 R CB 0.388 30.715 30.300 0.046 0.000 0.993 433 R HN 0.786 nan 8.270 nan 0.000 0.459 434 L N 3.179 124.438 121.223 0.059 0.000 2.043 434 L HA -0.284 4.056 4.340 0.000 0.000 0.212 434 L C 1.724 178.653 176.870 0.098 0.000 1.075 434 L CA 1.930 56.818 54.840 0.079 0.000 0.752 434 L CB -0.007 42.104 42.059 0.087 0.000 0.891 434 L HN 0.580 nan 8.230 nan 0.000 0.432 435 K N -0.514 119.941 120.400 0.092 0.000 2.097 435 K HA -0.159 4.161 4.320 0.000 0.000 0.205 435 K C 1.658 178.317 176.600 0.099 0.000 1.050 435 K CA 1.577 57.922 56.287 0.096 0.000 0.938 435 K CB -0.158 32.391 32.500 0.081 0.000 0.718 435 K HN 0.359 nan 8.250 nan 0.000 0.442 436 D N 0.057 120.514 120.400 0.094 0.000 2.144 436 D HA -0.118 4.522 4.640 0.000 0.000 0.199 436 D C 1.766 178.157 176.300 0.152 0.000 0.984 436 D CA 1.269 55.336 54.000 0.111 0.000 0.834 436 D CB -0.485 40.372 40.800 0.094 0.000 0.955 436 D HN 0.117 nan 8.370 nan 0.000 0.465 437 T N 0.538 115.174 114.554 0.136 0.000 2.607 437 T HA -0.135 4.215 4.350 0.000 0.000 0.267 437 T C 2.242 177.112 174.700 0.283 0.000 1.049 437 T CA 1.535 63.751 62.100 0.192 0.000 1.162 437 T CB -0.547 68.374 68.868 0.087 0.000 0.863 437 T HN -0.000 nan 8.240 nan 0.000 0.424 438 V N 1.776 121.768 119.914 0.129 0.000 2.427 438 V HA -0.113 4.007 4.120 0.000 0.000 0.248 438 V C 2.892 179.077 176.094 0.152 0.000 1.051 438 V CA 1.509 63.847 62.300 0.063 0.000 1.048 438 V CB -1.357 30.441 31.823 -0.043 0.000 0.666 438 V HN 0.543 nan 8.190 nan 0.000 0.456 439 A N 0.121 123.032 122.820 0.152 0.000 1.898 439 A HA -0.162 4.158 4.320 0.000 0.000 0.216 439 A C 2.469 180.157 177.584 0.172 0.000 1.181 439 A CA 2.161 54.284 52.037 0.142 0.000 0.620 439 A CB -0.585 18.488 19.000 0.120 0.000 0.819 439 A HN 0.524 nan 8.150 nan 0.000 0.442 440 S N -0.926 114.900 115.700 0.210 0.000 2.387 440 S HA -0.007 4.463 4.470 0.000 0.000 0.226 440 S C 1.579 176.242 174.600 0.105 0.000 1.026 440 S CA 1.076 59.368 58.200 0.155 0.000 0.972 440 S CB -0.493 62.854 63.200 0.245 0.000 0.814 440 S HN 0.528 nan 8.310 nan 0.000 0.477 441 F N 1.971 122.047 119.950 0.210 0.000 2.186 441 F HA 0.036 4.563 4.527 -0.000 0.000 0.299 441 F C 2.373 178.221 175.800 0.080 0.000 1.090 441 F CA 0.959 59.046 58.000 0.144 0.000 1.307 441 F CB -0.175 38.871 39.000 0.077 0.000 1.019 441 F HN 0.064 nan 8.300 nan 0.000 0.489 442 K N 0.363 120.908 120.400 0.242 0.000 2.032 442 K HA -0.221 4.099 4.320 0.000 0.000 0.209 442 K C 2.279 178.960 176.600 0.135 0.000 1.048 442 K CA 1.321 57.699 56.287 0.151 0.000 0.927 442 K CB -0.359 32.211 32.500 0.117 0.000 0.712 442 K HN 0.234 nan 8.250 nan 0.000 0.441 443 A N 0.623 123.536 122.820 0.156 0.000 1.858 443 A HA -0.137 4.183 4.320 0.000 0.000 0.216 443 A C 2.263 179.973 177.584 0.210 0.000 1.190 443 A CA 1.723 53.873 52.037 0.188 0.000 0.617 443 A CB -0.851 18.342 19.000 0.321 0.000 0.827 443 A HN 0.163 nan 8.150 nan 0.000 0.443 444 V N 0.043 120.066 119.914 0.181 0.000 2.278 444 V HA -0.311 3.809 4.120 0.000 0.000 0.251 444 V C 2.575 178.711 176.094 0.071 0.000 1.062 444 V CA 2.202 64.558 62.300 0.095 0.000 1.038 444 V CB -0.705 31.036 31.823 -0.137 0.000 0.646 444 V HN 0.579 nan 8.190 nan 0.000 0.447 445 L N -0.535 120.738 121.223 0.084 0.000 2.141 445 L HA -0.168 4.172 4.340 0.000 0.000 0.209 445 L C 2.276 179.175 176.870 0.047 0.000 1.094 445 L CA 1.491 56.370 54.840 0.066 0.000 0.763 445 L CB -0.319 41.791 42.059 0.085 0.000 0.908 445 L HN 0.434 nan 8.230 nan 0.000 0.437 446 E N -0.810 119.422 120.200 0.052 0.000 2.489 446 E HA 0.090 4.440 4.350 0.000 0.000 0.193 446 E C 1.237 177.847 176.600 0.017 0.000 1.057 446 E CA 0.509 56.928 56.400 0.031 0.000 0.866 446 E CB 0.341 30.058 29.700 0.028 0.000 0.916 446 E HN 0.476 nan 8.360 nan 0.000 0.500 447 G N 1.976 110.793 108.800 0.028 0.000 2.157 447 G HA2 -0.333 3.627 3.960 0.000 0.000 0.248 447 G HA3 -0.333 3.627 3.960 0.000 0.000 0.248 447 G C 0.646 175.541 174.900 -0.009 0.000 0.979 447 G CA 0.143 45.253 45.100 0.017 0.000 0.650 447 G HN 0.243 nan 8.290 nan 0.000 0.529 448 K N -0.442 119.931 120.400 -0.044 0.000 2.668 448 K HA 0.262 4.582 4.320 0.000 0.000 0.204 448 K C 0.176 176.472 176.600 -0.507 0.000 1.016 448 K CA 0.482 56.633 56.287 -0.227 0.000 1.131 448 K CB -0.015 32.341 32.500 -0.240 0.000 0.891 448 K HN 0.560 nan 8.250 nan 0.000 0.499 449 Y N -1.170 119.132 120.300 0.003 0.000 2.998 449 Y HA 0.053 4.603 4.550 -0.000 0.000 0.264 449 Y C 0.349 176.285 175.900 0.060 0.000 1.092 449 Y CA -0.776 57.341 58.100 0.029 0.000 1.247 449 Y CB 0.455 38.950 38.460 0.059 0.000 1.283 449 Y HN -0.001 nan 8.280 nan 0.000 0.605 450 D N 0.344 120.818 120.400 0.125 0.000 2.264 450 D HA -0.127 4.513 4.640 0.000 0.000 0.208 450 D C 1.600 177.954 176.300 0.089 0.000 0.966 450 D CA 1.474 55.528 54.000 0.090 0.000 0.864 450 D CB -0.001 40.820 40.800 0.036 0.000 0.933 450 D HN 0.519 nan 8.370 nan 0.000 0.499 451 N N 0.436 119.184 118.700 0.080 0.000 2.300 451 N HA -0.094 4.646 4.740 0.000 0.000 0.179 451 N C 0.807 176.357 175.510 0.067 0.000 1.016 451 N CA 0.201 53.284 53.050 0.056 0.000 0.876 451 N CB -0.464 38.038 38.487 0.027 0.000 0.979 451 N HN 0.169 nan 8.380 nan 0.000 0.432 452 I N 2.944 123.574 120.570 0.100 0.000 2.618 452 I HA 0.057 4.227 4.170 0.000 0.000 0.284 452 I C -1.786 174.378 176.117 0.078 0.000 1.146 452 I CA -1.575 59.742 61.300 0.030 0.000 1.425 452 I CB 0.480 38.425 38.000 -0.091 0.000 1.383 452 I HN 0.048 nan 8.210 nan 0.000 0.562 453 P HA 0.027 nan 4.420 nan 0.000 0.269 453 P C 0.229 177.622 177.300 0.155 0.000 1.209 453 P CA -0.077 63.070 63.100 0.077 0.000 0.776 453 P CB 0.726 32.449 31.700 0.038 0.000 0.876 454 E N 0.752 121.083 120.200 0.219 0.000 2.114 454 E HA -0.297 4.053 4.350 0.000 0.000 0.199 454 E C 1.697 178.489 176.600 0.320 0.000 1.008 454 E CA 1.620 58.205 56.400 0.308 0.000 0.810 454 E CB -0.421 29.377 29.700 0.163 0.000 0.739 454 E HN 0.617 nan 8.360 nan 0.000 0.456 455 H N -0.334 118.796 119.070 0.100 0.000 2.489 455 H HA 0.003 4.559 4.556 0.000 0.000 0.293 455 H C 1.645 177.012 175.328 0.066 0.000 1.066 455 H CA 1.219 57.316 56.048 0.083 0.000 1.305 455 H CB -0.017 29.762 29.762 0.029 0.000 1.386 455 H HN 0.179 nan 8.280 nan 0.000 0.551 456 A N -0.735 122.027 122.820 -0.097 0.000 2.172 456 A HA -0.049 4.271 4.320 0.000 0.000 0.216 456 A C 1.383 178.703 177.584 -0.441 0.000 1.154 456 A CA 0.877 52.716 52.037 -0.330 0.000 0.701 456 A CB -0.700 18.009 19.000 -0.486 0.000 0.789 456 A HN 0.434 nan 8.150 nan 0.000 0.465 457 F N -2.858 117.041 119.950 -0.086 0.000 2.746 457 F HA 0.214 4.741 4.527 0.000 0.000 0.297 457 F C 0.699 176.538 175.800 0.066 0.000 1.113 457 F CA -0.403 57.556 58.000 -0.067 0.000 1.367 457 F CB -0.121 38.827 39.000 -0.087 0.000 1.111 457 F HN 0.268 nan 8.300 nan 0.000 0.590 458 Y N 1.387 121.693 120.300 0.011 0.000 2.359 458 Y HA 0.372 4.922 4.550 0.000 0.000 0.334 458 Y C 0.654 176.506 175.900 -0.080 0.000 1.058 458 Y CA -1.692 56.381 58.100 -0.045 0.000 1.244 458 Y CB 0.439 38.803 38.460 -0.160 0.000 1.187 458 Y HN 0.145 nan 8.280 nan 0.000 0.510 459 M N 5.022 124.275 119.600 -0.579 0.000 2.399 459 M HA -0.157 4.323 4.480 0.000 0.000 0.191 459 M C -1.668 174.520 176.300 -0.186 0.000 0.732 459 M CA 1.264 56.279 55.300 -0.474 0.000 0.512 459 M CB -1.362 30.848 32.600 -0.650 0.000 1.191 459 M HN 0.520 nan 8.290 nan 0.000 0.894 460 V N -2.550 117.319 119.914 -0.076 0.000 3.182 460 V HA 1.087 5.207 4.120 0.000 0.000 0.308 460 V C 0.698 176.822 176.094 0.050 0.000 1.240 460 V CA -0.241 62.056 62.300 -0.004 0.000 1.063 460 V CB 1.546 33.373 31.823 0.008 0.000 1.076 460 V HN 0.439 nan 8.190 nan 0.000 0.446 461 G N 0.441 109.279 108.800 0.063 0.000 2.908 461 G HA2 0.539 4.499 3.960 0.000 0.000 0.188 461 G HA3 0.539 4.499 3.960 0.000 0.000 0.188 461 G C 0.560 175.560 174.900 0.167 0.000 1.903 461 G CA 0.076 45.218 45.100 0.071 0.000 0.883 461 G HN 1.458 nan 8.290 nan 0.000 0.515 462 G N -1.109 107.786 108.800 0.158 0.000 2.557 462 G HA2 0.382 4.342 3.960 0.000 0.000 0.292 462 G HA3 0.382 4.342 3.960 0.000 0.000 0.292 462 G C 0.634 175.649 174.900 0.192 0.000 1.237 462 G CA -0.424 44.821 45.100 0.241 0.000 0.978 462 G HN 0.290 nan 8.290 nan 0.000 0.498 463 I N 0.178 120.815 120.570 0.112 0.000 2.530 463 I HA -0.141 4.029 4.170 0.000 0.000 0.257 463 I C 2.600 178.633 176.117 -0.140 0.000 1.179 463 I CA 1.131 62.318 61.300 -0.189 0.000 1.440 463 I CB -0.056 37.804 38.000 -0.234 0.000 1.087 463 I HN 0.568 nan 8.210 nan 0.000 0.440 464 E N 0.299 120.480 120.200 -0.032 0.000 2.065 464 E HA -0.286 4.064 4.350 0.000 0.000 0.201 464 E C 1.672 178.240 176.600 -0.053 0.000 1.016 464 E CA 1.907 58.293 56.400 -0.023 0.000 0.818 464 E CB -0.731 28.974 29.700 0.007 0.000 0.749 464 E HN 0.547 nan 8.360 nan 0.000 0.453 465 D N 0.531 120.906 120.400 -0.043 0.000 2.219 465 D HA -0.067 4.573 4.640 0.000 0.000 0.205 465 D C 2.142 178.365 176.300 -0.129 0.000 0.970 465 D CA 0.460 54.429 54.000 -0.053 0.000 0.851 465 D CB -0.136 40.661 40.800 -0.006 0.000 0.943 465 D HN 0.034 nan 8.370 nan 0.000 0.488 466 V N 0.407 120.185 119.914 -0.227 0.000 2.358 466 V HA -0.184 3.936 4.120 0.000 0.000 0.246 466 V C 2.554 178.447 176.094 -0.336 0.000 1.047 466 V CA 0.990 63.041 62.300 -0.415 0.000 1.035 466 V CB -0.477 30.913 31.823 -0.722 0.000 0.658 466 V HN 0.078 nan 8.190 nan 0.000 0.452 467 V N 0.513 120.292 119.914 -0.225 0.000 2.307 467 V HA -0.206 3.914 4.120 0.000 0.000 0.245 467 V C 2.780 178.817 176.094 -0.095 0.000 1.045 467 V CA 1.864 64.091 62.300 -0.122 0.000 1.024 467 V CB -1.316 30.484 31.823 -0.038 0.000 0.651 467 V HN 0.521 nan 8.190 nan 0.000 0.449 468 A N 0.074 122.846 122.820 -0.080 0.000 1.873 468 A HA -0.340 3.980 4.320 0.000 0.000 0.218 468 A C 2.364 179.912 177.584 -0.060 0.000 1.193 468 A CA 2.620 54.624 52.037 -0.055 0.000 0.629 468 A CB -0.597 18.378 19.000 -0.041 0.000 0.826 468 A HN 0.528 nan 8.150 nan 0.000 0.447 469 K N -0.625 119.724 120.400 -0.084 0.000 2.057 469 K HA -0.052 4.268 4.320 0.000 0.000 0.206 469 K C 2.203 178.757 176.600 -0.076 0.000 1.050 469 K CA 1.116 57.358 56.287 -0.074 0.000 0.935 469 K CB -0.340 32.100 32.500 -0.099 0.000 0.715 469 K HN 0.389 nan 8.250 nan 0.000 0.439 470 A N 1.522 124.269 122.820 -0.123 0.000 1.892 470 A HA -0.241 4.079 4.320 0.000 0.000 0.218 470 A C 1.856 179.405 177.584 -0.058 0.000 1.188 470 A CA 1.968 53.939 52.037 -0.111 0.000 0.631 470 A CB -0.529 18.384 19.000 -0.145 0.000 0.822 470 A HN 0.490 nan 8.150 nan 0.000 0.447 471 E N -0.765 119.406 120.200 -0.049 0.000 2.072 471 E HA -0.148 4.202 4.350 0.000 0.000 0.190 471 E C 2.121 178.709 176.600 -0.019 0.000 0.982 471 E CA 1.096 57.478 56.400 -0.029 0.000 0.803 471 E CB -0.151 29.534 29.700 -0.025 0.000 0.755 471 E HN 0.608 nan 8.360 nan 0.000 0.453 472 K N 0.881 121.269 120.400 -0.019 0.000 2.103 472 K HA -0.134 4.186 4.320 0.000 0.000 0.207 472 K C 2.082 178.682 176.600 -0.000 0.000 1.048 472 K CA 0.842 57.124 56.287 -0.008 0.000 0.930 472 K CB 0.047 32.543 32.500 -0.007 0.000 0.716 472 K HN 0.089 nan 8.250 nan 0.000 0.444 473 L N -0.212 121.011 121.223 0.001 0.000 2.068 473 L HA -0.046 4.294 4.340 0.000 0.000 0.204 473 L C 2.363 179.235 176.870 0.002 0.000 1.076 473 L CA 0.883 55.730 54.840 0.012 0.000 0.753 473 L CB -0.345 41.732 42.059 0.030 0.000 0.910 473 L HN 0.184 nan 8.230 nan 0.000 0.439 474 A N 0.162 122.979 122.820 -0.005 0.000 2.186 474 A HA -0.020 4.300 4.320 0.000 0.000 0.219 474 A C 1.500 179.081 177.584 -0.005 0.000 1.159 474 A CA 1.083 53.116 52.037 -0.007 0.000 0.680 474 A CB -0.641 18.352 19.000 -0.011 0.000 0.787 474 A HN 0.322 nan 8.150 nan 0.000 0.467 475 A N -0.406 122.412 122.820 -0.005 0.000 2.990 475 A HA 0.565 4.885 4.320 0.000 0.000 0.282 475 A C 0.343 177.926 177.584 -0.001 0.000 1.688 475 A CA 1.004 53.039 52.037 -0.003 0.000 1.391 475 A CB -1.167 17.831 19.000 -0.004 0.000 1.112 475 A HN 1.202 nan 8.150 nan 0.000 0.588 476 E N 0.000 120.199 120.200 -0.002 0.000 2.725 476 E HA 0.000 4.350 4.350 0.000 0.000 0.291 476 E CA 0.000 nan 56.400 nan 0.000 0.976 476 E CB 0.000 nan 29.700 nan 0.000 0.812 476 E HN 0.000 nan 8.360 nan 0.000 0.440