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 1qrk_1_B DATA FIRST_RESID 10 DATA SEQUENCE GRRAVPPNNS NAAEDDLPTV ELQGVVXXXX XLQEFLNVTS VHLFKERWDT DATA SEQUENCE NKVDHHTDKY ENNKLIVRRG QSFYVQIDFS RPYDPRRDLF RVEYVIGRYP DATA SEQUENCE QENKGTYIPV PIVSELQSGK WGAKIVMRED RSVRLSIQSS PKCIVGKFRM DATA SEQUENCE YVAVWTPYGV LRTSRNPETD TYILFNPWCE DDAVYLDNEK EREEYVLNDI DATA SEQUENCE GVIFYGEVND IKTRSWSYGQ FEDGILDTCL YVMDRAQMDL SGRGNPIKVS DATA SEQUENCE RVGSAMVNAK DDEGVLVGSW DNIYAYGVPP SAWTGSVDIL LEYRSSENPV DATA SEQUENCE RYGQCWVFAG VFNTFLRCLG IPARIVTNYF SAHDNDANLQ MDIFLEEDGN DATA SEQUENCE VNSKLTKDSV WNYHCWNEAW MTRPDLPVGF GGWQAVDSTP QENSDGMYRC DATA SEQUENCE GPASVQAIKH GHVCFQFDAP FVFAEVNSDL IYITAKKDGT HVVENVDATH DATA SEQUENCE IGKLIVTKQI GGDGMMDITD TYKFQEGQEE ERLALETALM YGAKKPLNXX DATA SEQUENCE XXXXXXSNVD MDFEVENAVL GKDFKLSITF RNNSHNRYTI TAYLSANITF DATA SEQUENCE YTGVPKAEFK KETFDVTLEP LSFKKEAVLI QAGEYMGQLL EQASLHFFVT DATA SEQUENCE ARINETRDVL AKQKSTVLTI PEIIIKVRGT QVVGSDMTVT VEFTNPLKET DATA SEQUENCE LRNVWVHLDG PGVTRPMKKM FREIRPNSTV QWEEVCRPWV SGHRKLIASM DATA SEQUENCE SSDSLRHVYG ELDVQIQR 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 10 G HA2 0.000 nan 3.960 nan 0.000 0.244 10 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 10 G C 0.000 174.886 174.900 -0.023 0.000 0.946 10 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 11 R N 1.114 121.597 120.500 -0.027 0.000 2.075 11 R HA 0.292 4.631 4.340 -0.001 0.000 0.226 11 R C 0.761 177.042 176.300 -0.032 0.000 1.114 11 R CA 1.036 57.120 56.100 -0.028 0.000 0.972 11 R CB -0.099 30.183 30.300 -0.030 0.000 0.869 11 R HN 0.468 nan 8.270 nan 0.000 0.437 12 R N -2.402 118.073 120.500 -0.042 0.000 2.668 12 R HA 0.584 4.923 4.340 -0.001 0.000 0.272 12 R C 0.049 176.314 176.300 -0.057 0.000 1.019 12 R CA -0.061 56.010 56.100 -0.048 0.000 0.894 12 R CB 1.234 31.497 30.300 -0.062 0.000 1.228 12 R HN -0.045 nan 8.270 nan 0.000 0.460 13 A N 1.382 124.173 122.820 -0.049 0.000 2.015 13 A HA 0.044 4.364 4.320 -0.001 0.000 0.219 13 A C 0.744 178.286 177.584 -0.070 0.000 1.163 13 A CA 1.471 53.480 52.037 -0.047 0.000 0.646 13 A CB 0.133 19.114 19.000 -0.030 0.000 0.806 13 A HN 0.411 nan 8.150 nan 0.000 0.448 14 V N -0.644 119.208 119.914 -0.103 0.000 2.709 14 V HA 0.574 4.693 4.120 -0.001 0.000 0.308 14 V C -3.034 172.886 176.094 -0.290 0.000 1.062 14 V CA -2.488 59.702 62.300 -0.183 0.000 0.901 14 V CB 2.064 33.816 31.823 -0.119 0.000 1.003 14 V HN 0.149 nan 8.190 nan 0.000 0.425 15 P HA 0.244 nan 4.420 nan 0.000 0.272 15 P C -2.799 174.255 177.300 -0.410 0.000 1.248 15 P CA -0.731 62.080 63.100 -0.483 0.000 0.799 15 P CB -0.196 31.089 31.700 -0.692 0.000 0.997 16 P HA 0.091 nan 4.420 nan 0.000 0.286 16 P C -0.662 176.627 177.300 -0.018 0.000 1.269 16 P CA -0.139 62.900 63.100 -0.101 0.000 0.787 16 P CB 0.284 31.951 31.700 -0.054 0.000 0.920 17 N N 3.682 122.414 118.700 0.054 0.000 2.508 17 N HA 0.009 4.749 4.740 -0.001 0.000 0.253 17 N C 0.103 175.662 175.510 0.082 0.000 1.145 17 N CA -0.105 53.038 53.050 0.155 0.000 0.973 17 N CB -0.769 37.808 38.487 0.150 0.000 1.305 17 N HN 0.315 nan 8.380 nan 0.000 0.506 18 N N 0.365 119.109 118.700 0.074 0.000 2.451 18 N HA 0.119 4.858 4.740 -0.001 0.000 0.271 18 N C -1.150 174.377 175.510 0.028 0.000 1.410 18 N CA -0.507 52.566 53.050 0.038 0.000 0.884 18 N CB 0.264 38.764 38.487 0.022 0.000 1.332 18 N HN 0.080 nan 8.380 nan 0.000 0.498 19 S N -0.370 115.348 115.700 0.030 0.000 2.619 19 S HA 0.368 4.837 4.470 -0.001 0.000 0.280 19 S C -0.065 174.526 174.600 -0.016 0.000 1.150 19 S CA -0.727 57.480 58.200 0.013 0.000 0.978 19 S CB 0.964 64.179 63.200 0.025 0.000 1.041 19 S HN 0.356 nan 8.310 nan 0.000 0.485 20 N N 3.115 121.796 118.700 -0.032 0.000 2.395 20 N HA 0.088 4.827 4.740 -0.001 0.000 0.175 20 N C 1.504 176.972 175.510 -0.069 0.000 1.029 20 N CA 0.742 53.742 53.050 -0.083 0.000 0.897 20 N CB -0.047 38.382 38.487 -0.097 0.000 0.991 20 N HN 0.627 nan 8.380 nan 0.000 0.441 21 A N 0.242 123.048 122.820 -0.024 0.000 2.123 21 A HA 0.406 4.726 4.320 -0.001 0.000 0.214 21 A C 0.829 178.401 177.584 -0.019 0.000 1.152 21 A CA 0.082 52.111 52.037 -0.014 0.000 0.728 21 A CB -0.059 18.957 19.000 0.028 0.000 0.814 21 A HN 0.315 nan 8.150 nan 0.000 0.464 22 A N 0.988 123.795 122.820 -0.022 0.000 2.363 22 A HA 0.550 4.869 4.320 -0.001 0.000 0.270 22 A C -0.000 177.548 177.584 -0.060 0.000 1.121 22 A CA -0.356 51.662 52.037 -0.032 0.000 0.800 22 A CB 0.069 19.058 19.000 -0.019 0.000 1.052 22 A HN 0.595 nan 8.150 nan 0.000 0.493 23 E N 1.425 121.583 120.200 -0.070 0.000 2.369 23 E HA 0.568 4.918 4.350 -0.001 0.000 0.270 23 E C -1.618 174.920 176.600 -0.104 0.000 0.909 23 E CA -0.925 55.431 56.400 -0.072 0.000 0.775 23 E CB 1.610 31.291 29.700 -0.031 0.000 1.270 23 E HN 0.419 nan 8.360 nan 0.000 0.445 24 D N 0.251 120.592 120.400 -0.099 0.000 2.181 24 D HA 0.275 4.914 4.640 -0.001 0.000 0.248 24 D C -1.471 174.796 176.300 -0.054 0.000 1.020 24 D CA -0.412 53.513 54.000 -0.124 0.000 0.891 24 D CB 1.706 42.422 40.800 -0.141 0.000 1.187 24 D HN 0.377 nan 8.370 nan 0.000 0.443 25 D N 1.751 122.111 120.400 -0.066 0.000 2.349 25 D HA 0.291 4.930 4.640 -0.001 0.000 0.232 25 D C -0.452 175.792 176.300 -0.094 0.000 1.071 25 D CA -0.456 53.522 54.000 -0.036 0.000 0.832 25 D CB 0.699 41.483 40.800 -0.027 0.000 1.086 25 D HN 0.230 nan 8.370 nan 0.000 0.504 26 L N 4.955 126.084 121.223 -0.155 0.000 2.371 26 L HA 0.451 4.790 4.340 -0.001 0.000 0.272 26 L C -1.643 175.110 176.870 -0.196 0.000 1.124 26 L CA -1.720 52.966 54.840 -0.257 0.000 0.816 26 L CB 0.492 42.250 42.059 -0.501 0.000 1.129 26 L HN 0.296 nan 8.230 nan 0.000 0.448 27 P HA 0.097 nan 4.420 nan 0.000 0.275 27 P C 0.406 177.627 177.300 -0.132 0.000 1.228 27 P CA -0.367 62.657 63.100 -0.127 0.000 0.786 27 P CB 1.168 32.795 31.700 -0.122 0.000 0.927 28 T N -0.220 114.282 114.554 -0.086 0.000 2.698 28 T HA 0.008 4.357 4.350 -0.001 0.000 0.260 28 T C 1.058 175.705 174.700 -0.089 0.000 1.044 28 T CA 0.629 62.688 62.100 -0.068 0.000 1.149 28 T CB -0.590 68.260 68.868 -0.030 0.000 0.864 28 T HN 0.197 nan 8.240 nan 0.000 0.419 29 V N 2.026 121.892 119.914 -0.081 0.000 2.532 29 V HA 0.654 4.773 4.120 -0.001 0.000 0.295 29 V C -0.565 175.462 176.094 -0.111 0.000 1.041 29 V CA -0.698 61.548 62.300 -0.091 0.000 0.926 29 V CB 1.383 33.170 31.823 -0.060 0.000 0.992 29 V HN 0.604 nan 8.190 nan 0.000 0.457 30 E N 4.397 124.515 120.200 -0.137 0.000 2.528 30 E HA 0.538 4.888 4.350 -0.001 0.000 0.277 30 E C -1.685 174.833 176.600 -0.136 0.000 0.980 30 E CA -0.162 56.152 56.400 -0.144 0.000 0.796 30 E CB 0.653 30.235 29.700 -0.197 0.000 1.427 30 E HN 0.575 nan 8.360 nan 0.000 0.394 31 L N 2.167 123.338 121.223 -0.086 0.000 2.279 31 L HA 0.718 5.057 4.340 -0.001 0.000 0.262 31 L C -0.431 176.420 176.870 -0.032 0.000 1.019 31 L CA -1.122 53.690 54.840 -0.046 0.000 0.823 31 L CB 2.210 44.256 42.059 -0.021 0.000 1.358 31 L HN 0.489 nan 8.230 nan 0.000 0.432 32 Q N -0.496 119.307 119.800 0.004 0.000 2.438 32 Q HA 0.491 4.830 4.340 -0.001 0.000 0.272 32 Q C -0.395 175.622 176.000 0.029 0.000 0.994 32 Q CA 0.376 56.181 55.803 0.003 0.000 0.887 32 Q CB 2.438 31.173 28.738 -0.005 0.000 1.432 32 Q HN 0.852 nan 8.270 nan 0.000 0.392 33 G N 0.544 109.352 108.800 0.012 0.000 3.035 33 G HA2 0.087 4.046 3.960 -0.001 0.000 0.242 33 G HA3 0.087 4.046 3.960 -0.001 0.000 0.242 33 G C -0.782 174.117 174.900 -0.002 0.000 1.524 33 G CA 0.007 45.118 45.100 0.018 0.000 1.038 33 G HN 1.499 nan 8.290 nan 0.000 0.561 34 V N -1.118 118.795 119.914 -0.001 0.000 3.232 34 V HA 1.073 5.192 4.120 -0.001 0.000 0.303 34 V C 0.635 176.661 176.094 -0.114 0.000 1.311 34 V CA 0.045 62.318 62.300 -0.044 0.000 1.061 34 V CB 1.117 32.929 31.823 -0.019 0.000 1.085 34 V HN 2.385 nan 8.190 nan 0.000 0.447 42 Q N 1.623 121.519 119.800 0.159 0.000 3.027 42 Q HA 0.345 4.684 4.340 -0.001 0.000 0.260 42 Q C -0.668 175.394 176.000 0.104 0.000 1.379 42 Q CA 0.100 56.130 55.803 0.377 0.000 1.038 42 Q CB -0.068 28.894 28.738 0.373 0.000 1.578 42 Q HN 0.782 nan 8.270 nan 0.000 0.571 43 E N 0.759 120.783 120.200 -0.293 0.000 2.280 43 E HA 0.135 4.484 4.350 -0.001 0.000 0.279 43 E C -0.099 176.191 176.600 -0.517 0.000 1.325 43 E CA -0.146 56.077 56.400 -0.294 0.000 1.486 43 E CB 0.099 29.629 29.700 -0.283 0.000 1.466 43 E HN 0.324 nan 8.360 nan 0.000 0.473 44 F N 0.293 120.245 119.950 0.003 0.000 2.622 44 F HA 0.279 4.805 4.527 -0.001 0.000 0.288 44 F C 0.092 175.855 175.800 -0.061 0.000 1.120 44 F CA -0.228 57.763 58.000 -0.014 0.000 1.423 44 F CB 0.679 39.688 39.000 0.015 0.000 1.127 44 F HN 0.093 nan 8.300 nan 0.000 0.588 45 L N 0.363 121.635 121.223 0.082 0.000 5.704 45 L HA -0.049 4.290 4.340 -0.001 0.000 0.234 45 L C -1.436 175.492 176.870 0.097 0.000 1.144 45 L CA -0.499 54.327 54.840 -0.024 0.000 0.651 45 L CB -0.396 41.486 42.059 -0.296 0.000 1.372 45 L HN 0.237 nan 8.230 nan 0.000 0.108 46 N N 1.308 120.110 118.700 0.171 0.000 2.310 46 N HA 0.779 5.518 4.740 -0.001 0.000 0.292 46 N C -0.837 174.833 175.510 0.267 0.000 1.049 46 N CA -0.770 52.393 53.050 0.189 0.000 0.849 46 N CB 2.861 41.419 38.487 0.119 0.000 1.532 46 N HN 0.508 nan 8.380 nan 0.000 0.479 47 V N 0.813 120.857 119.914 0.216 0.000 2.555 47 V HA 0.258 4.377 4.120 -0.001 0.000 0.286 47 V C 1.268 177.352 176.094 -0.016 0.000 1.044 47 V CA 0.215 62.536 62.300 0.035 0.000 1.026 47 V CB 0.928 32.697 31.823 -0.091 0.000 0.981 47 V HN 0.923 nan 8.190 nan 0.000 0.480 48 T N 1.313 115.832 114.554 -0.058 0.000 3.067 48 T HA 0.297 4.646 4.350 -0.001 0.000 0.257 48 T C 0.708 175.355 174.700 -0.088 0.000 1.105 48 T CA 0.557 62.633 62.100 -0.039 0.000 1.104 48 T CB -0.326 68.539 68.868 -0.005 0.000 0.925 48 T HN 1.867 nan 8.240 nan 0.000 0.498 49 S N -0.963 114.632 115.700 -0.176 0.000 2.683 49 S HA 0.544 5.013 4.470 -0.001 0.000 0.278 49 S C -1.709 172.619 174.600 -0.454 0.000 1.059 49 S CA -0.947 57.091 58.200 -0.270 0.000 0.847 49 S CB 1.262 64.316 63.200 -0.244 0.000 1.078 49 S HN 0.222 nan 8.310 nan 0.000 0.456 50 V N 2.551 122.146 119.914 -0.532 0.000 2.769 50 V HA 0.677 4.796 4.120 -0.001 0.000 0.312 50 V C -1.124 174.513 176.094 -0.761 0.000 1.061 50 V CA -0.564 61.414 62.300 -0.538 0.000 0.931 50 V CB 1.926 33.579 31.823 -0.282 0.000 1.010 50 V HN 0.989 nan 8.190 nan 0.000 0.433 51 H N 4.838 123.755 119.070 -0.254 0.000 2.744 51 H HA 0.496 5.051 4.556 -0.001 0.000 0.339 51 H C -0.902 174.093 175.328 -0.554 0.000 1.004 51 H CA -0.575 55.221 56.048 -0.420 0.000 1.257 51 H CB 1.965 31.409 29.762 -0.531 0.000 1.552 51 H HN 0.425 nan 8.280 nan 0.000 0.522 52 L N 4.003 125.031 121.223 -0.326 0.000 2.825 52 L HA 0.240 4.579 4.340 -0.001 0.000 0.236 52 L C -0.196 176.574 176.870 -0.166 0.000 1.301 52 L CA -0.671 54.052 54.840 -0.194 0.000 0.977 52 L CB -0.321 41.706 42.059 -0.053 0.000 1.300 52 L HN 0.392 nan 8.230 nan 0.000 0.486 53 F N 1.647 121.651 119.950 0.090 0.000 1.955 53 F HA -0.260 4.266 4.527 -0.001 0.000 0.234 53 F C 1.753 177.524 175.800 -0.048 0.000 1.161 53 F CA 0.707 58.720 58.000 0.022 0.000 0.654 53 F CB -1.009 38.030 39.000 0.065 0.000 0.799 53 F HN 0.478 nan 8.300 nan 0.000 0.482 54 K N 0.361 120.737 120.400 -0.041 0.000 2.025 54 K HA 0.004 4.323 4.320 -0.001 0.000 0.211 54 K C 0.329 176.773 176.600 -0.259 0.000 1.029 54 K CA -0.112 56.102 56.287 -0.122 0.000 0.948 54 K CB -0.404 32.020 32.500 -0.126 0.000 0.768 54 K HN 0.110 nan 8.250 nan 0.000 0.446 55 E N 1.953 121.904 120.200 -0.415 0.000 1.845 55 E HA -0.211 4.138 4.350 -0.001 0.000 0.361 55 E C 0.891 177.086 176.600 -0.674 0.000 0.643 55 E CA 0.423 56.360 56.400 -0.773 0.000 1.340 55 E CB -0.043 28.710 29.700 -1.579 0.000 0.460 55 E HN 0.331 nan 8.360 nan 0.000 0.402 56 R N 2.104 122.379 120.500 -0.374 0.000 2.228 56 R HA -0.243 4.096 4.340 -0.001 0.000 0.264 56 R C 2.030 178.322 176.300 -0.013 0.000 1.179 56 R CA 2.643 58.671 56.100 -0.119 0.000 0.998 56 R CB -0.854 29.460 30.300 0.023 0.000 0.885 56 R HN 0.761 nan 8.270 nan 0.000 0.466 57 W N 1.520 122.831 121.300 0.019 0.000 2.441 57 W HA 0.155 4.815 4.660 -0.001 0.000 0.302 57 W C 0.429 176.960 176.519 0.019 0.000 1.191 57 W CA -0.492 56.861 57.345 0.013 0.000 1.327 57 W CB -0.691 28.776 29.460 0.013 0.000 1.128 57 W HN -0.246 nan 8.180 nan 0.000 0.522 58 D N 1.597 121.891 120.400 -0.177 0.000 2.474 58 D HA -0.096 4.543 4.640 -0.001 0.000 0.232 58 D C 1.779 178.095 176.300 0.026 0.000 1.177 58 D CA 1.793 55.773 54.000 -0.034 0.000 0.876 58 D CB 1.413 42.143 40.800 -0.116 0.000 1.208 58 D HN 0.157 nan 8.370 nan 0.000 0.464 59 T N 1.232 115.833 114.554 0.078 0.000 2.592 59 T HA -0.268 4.081 4.350 -0.001 0.000 0.267 59 T C 1.473 176.246 174.700 0.121 0.000 1.060 59 T CA 1.226 63.391 62.100 0.107 0.000 1.167 59 T CB -0.237 68.742 68.868 0.184 0.000 0.863 59 T HN 0.339 nan 8.240 nan 0.000 0.431 60 N N 1.667 120.469 118.700 0.171 0.000 2.002 60 N HA -0.104 4.635 4.740 -0.001 0.000 0.199 60 N C 1.861 177.390 175.510 0.032 0.000 1.060 60 N CA 1.588 54.719 53.050 0.136 0.000 0.867 60 N CB -0.494 38.037 38.487 0.073 0.000 1.069 60 N HN 0.492 nan 8.380 nan 0.000 0.430 61 K N 0.366 120.738 120.400 -0.047 0.000 2.228 61 K HA -0.095 4.224 4.320 -0.001 0.000 0.205 61 K C 1.943 178.496 176.600 -0.079 0.000 1.045 61 K CA 0.768 57.011 56.287 -0.074 0.000 0.931 61 K CB -0.026 32.419 32.500 -0.092 0.000 0.727 61 K HN 0.007 nan 8.250 nan 0.000 0.458 62 V N 0.765 120.634 119.914 -0.075 0.000 2.379 62 V HA -0.160 3.959 4.120 -0.001 0.000 0.243 62 V C 1.309 177.228 176.094 -0.291 0.000 1.035 62 V CA 1.672 63.889 62.300 -0.138 0.000 1.035 62 V CB -0.226 31.558 31.823 -0.065 0.000 0.673 62 V HN 0.215 nan 8.190 nan 0.000 0.457 63 D N -1.154 119.126 120.400 -0.200 0.000 2.312 63 D HA -0.088 4.551 4.640 -0.001 0.000 0.211 63 D C 1.928 177.908 176.300 -0.534 0.000 0.964 63 D CA 0.917 54.729 54.000 -0.313 0.000 0.877 63 D CB -0.130 40.606 40.800 -0.107 0.000 0.924 63 D HN 0.516 nan 8.370 nan 0.000 0.515 64 H N -1.366 117.448 119.070 -0.426 0.000 2.575 64 H HA 0.088 4.643 4.556 -0.001 0.000 0.267 64 H C 0.068 175.189 175.328 -0.344 0.000 0.966 64 H CA 0.443 56.307 56.048 -0.306 0.000 1.165 64 H CB 0.455 30.117 29.762 -0.167 0.000 1.433 64 H HN 0.272 nan 8.280 nan 0.000 0.544 65 H N -0.699 118.240 119.070 -0.220 0.000 2.969 65 H HA -0.137 4.418 4.556 -0.001 0.000 0.269 65 H C 1.036 176.334 175.328 -0.050 0.000 1.230 65 H CA 1.052 56.930 56.048 -0.283 0.000 1.123 65 H CB -1.835 27.483 29.762 -0.740 0.000 1.289 65 H HN 0.428 nan 8.280 nan 0.000 0.364 66 T N -3.416 111.175 114.554 0.062 0.000 3.084 66 T HA 0.105 4.454 4.350 -0.001 0.000 0.270 66 T C 1.241 176.021 174.700 0.134 0.000 1.008 66 T CA 0.324 62.572 62.100 0.246 0.000 0.900 66 T CB 0.191 69.137 68.868 0.131 0.000 1.084 66 T HN 0.439 nan 8.240 nan 0.000 0.538 67 D N 2.307 122.695 120.400 -0.020 0.000 2.350 67 D HA -0.149 4.491 4.640 -0.001 0.000 0.216 67 D C 1.902 178.155 176.300 -0.078 0.000 0.968 67 D CA 0.517 54.489 54.000 -0.047 0.000 0.894 67 D CB -0.041 40.721 40.800 -0.065 0.000 0.909 67 D HN 0.545 nan 8.370 nan 0.000 0.520 68 K N -0.217 120.057 120.400 -0.210 0.000 2.314 68 K HA -0.059 4.260 4.320 -0.001 0.000 0.198 68 K C -0.115 176.294 176.600 -0.317 0.000 1.045 68 K CA -0.052 55.968 56.287 -0.446 0.000 0.988 68 K CB -0.392 31.463 32.500 -1.074 0.000 0.783 68 K HN 0.187 nan 8.250 nan 0.000 0.484 69 Y N 2.848 123.092 120.300 -0.092 0.000 2.544 69 Y HA 0.017 4.566 4.550 -0.001 0.000 0.330 69 Y C 0.791 176.725 175.900 0.056 0.000 1.136 69 Y CA -0.229 57.949 58.100 0.129 0.000 1.417 69 Y CB 0.825 39.339 38.460 0.091 0.000 1.229 69 Y HN 0.087 nan 8.280 nan 0.000 0.532 70 E N 3.012 123.351 120.200 0.232 0.000 2.975 70 E HA -0.050 4.299 4.350 -0.001 0.000 0.301 70 E C -0.672 175.982 176.600 0.090 0.000 1.554 70 E CA 0.097 56.582 56.400 0.141 0.000 1.716 70 E CB -0.659 29.130 29.700 0.149 0.000 1.365 70 E HN 0.408 nan 8.360 nan 0.000 0.469 71 N N 0.476 119.220 118.700 0.074 0.000 2.319 71 N HA 0.085 4.825 4.740 -0.001 0.000 0.305 71 N C 0.116 175.616 175.510 -0.018 0.000 1.103 71 N CA -0.320 52.730 53.050 0.000 0.000 0.815 71 N CB 1.240 39.665 38.487 -0.103 0.000 1.288 71 N HN 0.195 nan 8.380 nan 0.000 0.493 72 N N 1.634 120.325 118.700 -0.015 0.000 2.424 72 N HA -0.025 4.714 4.740 -0.001 0.000 0.178 72 N C -0.475 175.023 175.510 -0.020 0.000 1.060 72 N CA 0.645 53.684 53.050 -0.018 0.000 0.901 72 N CB 0.361 38.844 38.487 -0.006 0.000 0.979 72 N HN 0.446 nan 8.380 nan 0.000 0.451 73 K N 0.884 121.286 120.400 0.003 0.000 2.132 73 K HA 0.191 4.510 4.320 -0.001 0.000 0.241 73 K C -0.286 176.311 176.600 -0.005 0.000 1.000 73 K CA -0.937 55.370 56.287 0.035 0.000 0.911 73 K CB 1.094 33.695 32.500 0.168 0.000 1.093 73 K HN -0.011 nan 8.250 nan 0.000 0.460 74 L N 1.836 123.058 121.223 -0.002 0.000 2.462 74 L HA 0.210 4.549 4.340 -0.001 0.000 0.272 74 L C -0.506 176.326 176.870 -0.063 0.000 1.166 74 L CA 0.572 55.372 54.840 -0.067 0.000 0.880 74 L CB -0.106 41.903 42.059 -0.084 0.000 1.142 74 L HN 0.414 nan 8.230 nan 0.000 0.473 75 I N 5.639 126.104 120.570 -0.174 0.000 2.465 75 I HA 0.513 4.682 4.170 -0.001 0.000 0.291 75 I C -0.813 175.120 176.117 -0.308 0.000 1.014 75 I CA -0.706 60.458 61.300 -0.227 0.000 1.093 75 I CB 1.938 39.722 38.000 -0.361 0.000 1.267 75 I HN 0.305 nan 8.210 nan 0.000 0.431 76 V N 6.335 126.047 119.914 -0.337 0.000 2.971 76 V HA 0.470 4.589 4.120 -0.001 0.000 0.309 76 V C -0.551 175.449 176.094 -0.157 0.000 1.130 76 V CA -0.674 61.333 62.300 -0.488 0.000 0.964 76 V CB 3.029 34.227 31.823 -1.042 0.000 1.029 76 V HN 0.652 nan 8.190 nan 0.000 0.427 77 R N 3.054 123.645 120.500 0.153 0.000 2.368 77 R HA 0.515 4.854 4.340 -0.001 0.000 0.302 77 R C 0.067 176.434 176.300 0.112 0.000 1.002 77 R CA -0.784 55.415 56.100 0.164 0.000 0.929 77 R CB 1.313 31.761 30.300 0.245 0.000 1.073 77 R HN 0.780 nan 8.270 nan 0.000 0.464 78 R N 0.861 121.373 120.500 0.020 0.000 2.698 78 R HA 0.112 4.451 4.340 -0.001 0.000 0.266 78 R C 0.554 176.820 176.300 -0.057 0.000 1.026 78 R CA 0.669 56.727 56.100 -0.069 0.000 1.102 78 R CB 0.131 30.371 30.300 -0.100 0.000 0.978 78 R HN 0.810 nan 8.270 nan 0.000 0.436 79 G N 0.269 108.971 108.800 -0.163 0.000 2.205 79 G HA2 -0.360 3.599 3.960 -0.001 0.000 0.261 79 G HA3 -0.360 3.599 3.960 -0.001 0.000 0.261 79 G C 0.004 174.830 174.900 -0.124 0.000 0.980 79 G CA 0.667 45.674 45.100 -0.155 0.000 0.632 79 G HN 0.788 nan 8.290 nan 0.000 0.533 80 Q N 0.821 120.580 119.800 -0.069 0.000 2.342 80 Q HA 0.628 4.967 4.340 -0.001 0.000 0.267 80 Q C 0.665 176.714 176.000 0.082 0.000 1.038 80 Q CA -0.020 55.745 55.803 -0.064 0.000 0.832 80 Q CB 1.504 30.131 28.738 -0.184 0.000 1.323 80 Q HN 0.630 nan 8.270 nan 0.000 0.448 81 S N 2.120 117.823 115.700 0.004 0.000 2.614 81 S HA 0.621 5.091 4.470 -0.001 0.000 0.265 81 S C -0.361 174.379 174.600 0.233 0.000 1.303 81 S CA -0.441 57.759 58.200 -0.001 0.000 1.000 81 S CB 0.350 63.438 63.200 -0.187 0.000 0.935 81 S HN 0.480 nan 8.310 nan 0.000 0.551 82 F N -2.415 117.451 119.950 -0.140 0.000 2.711 82 F HA 0.753 5.279 4.527 -0.001 0.000 0.313 82 F C -1.832 173.831 175.800 -0.229 0.000 1.141 82 F CA -1.873 56.031 58.000 -0.159 0.000 0.941 82 F CB 0.485 39.386 39.000 -0.164 0.000 1.349 82 F HN 0.503 nan 8.300 nan 0.000 0.464 83 Y N 1.081 121.540 120.300 0.265 0.000 2.446 83 Y HA 0.742 5.291 4.550 -0.001 0.000 0.338 83 Y C 0.122 176.240 175.900 0.363 0.000 1.055 83 Y CA -1.091 57.156 58.100 0.245 0.000 1.101 83 Y CB 1.991 40.631 38.460 0.300 0.000 1.221 83 Y HN 0.713 nan 8.280 nan 0.000 0.460 84 V N -0.174 119.997 119.914 0.427 0.000 3.181 84 V HA 0.709 4.828 4.120 -0.001 0.000 0.308 84 V C -1.450 174.784 176.094 0.234 0.000 1.214 84 V CA -0.951 61.459 62.300 0.183 0.000 1.053 84 V CB 2.186 34.061 31.823 0.086 0.000 1.069 84 V HN 0.802 nan 8.190 nan 0.000 0.441 85 Q N 1.023 120.839 119.800 0.026 0.000 2.268 85 Q HA 0.668 5.008 4.340 -0.001 0.000 0.266 85 Q C -1.945 174.038 176.000 -0.029 0.000 1.006 85 Q CA -0.633 55.243 55.803 0.123 0.000 0.824 85 Q CB 2.262 31.187 28.738 0.312 0.000 1.306 85 Q HN 0.884 nan 8.270 nan 0.000 0.424 86 I N 2.738 123.242 120.570 -0.110 0.000 2.378 86 I HA 0.360 4.529 4.170 -0.001 0.000 0.291 86 I C -0.685 175.135 176.117 -0.494 0.000 0.992 86 I CA -0.890 60.191 61.300 -0.365 0.000 1.154 86 I CB 1.548 39.246 38.000 -0.503 0.000 1.315 86 I HN 0.425 nan 8.210 nan 0.000 0.448 87 D N 6.325 126.470 120.400 -0.425 0.000 2.232 87 D HA 0.421 5.061 4.640 -0.001 0.000 0.242 87 D C -0.507 175.560 176.300 -0.388 0.000 1.093 87 D CA 0.083 53.918 54.000 -0.275 0.000 0.845 87 D CB 1.294 42.054 40.800 -0.067 0.000 1.124 87 D HN 0.092 nan 8.370 nan 0.000 0.467 88 F N 0.237 120.181 119.950 -0.011 0.000 2.457 88 F HA 0.148 4.674 4.527 -0.001 0.000 0.330 88 F C 2.039 177.838 175.800 -0.003 0.000 1.069 88 F CA -0.938 57.047 58.000 -0.025 0.000 1.009 88 F CB 1.075 40.049 39.000 -0.044 0.000 1.276 88 F HN 0.215 nan 8.300 nan 0.000 0.492 89 S N 0.341 116.190 115.700 0.249 0.000 2.481 89 S HA 0.026 4.495 4.470 -0.001 0.000 0.231 89 S C 0.241 174.898 174.600 0.096 0.000 0.996 89 S CA 0.231 58.508 58.200 0.128 0.000 0.942 89 S CB -0.488 62.771 63.200 0.098 0.000 0.768 89 S HN 0.698 nan 8.310 nan 0.000 0.520 90 R N -0.421 120.146 120.500 0.112 0.000 2.579 90 R HA 0.427 4.766 4.340 -0.001 0.000 0.260 90 R C -3.511 172.831 176.300 0.069 0.000 1.103 90 R CA -1.853 54.283 56.100 0.059 0.000 0.942 90 R CB -0.158 30.146 30.300 0.006 0.000 1.251 90 R HN -0.100 nan 8.270 nan 0.000 0.450 91 P HA -0.233 nan 4.420 nan 0.000 0.264 91 P C -0.983 176.346 177.300 0.048 0.000 1.156 91 P CA 0.445 63.598 63.100 0.088 0.000 0.756 91 P CB 0.182 31.913 31.700 0.050 0.000 0.764 92 Y N 2.946 123.237 120.300 -0.014 0.000 2.442 92 Y HA 0.184 4.733 4.550 -0.001 0.000 0.330 92 Y C 0.181 176.053 175.900 -0.046 0.000 1.129 92 Y CA -0.138 57.895 58.100 -0.112 0.000 1.365 92 Y CB 0.317 38.751 38.460 -0.043 0.000 1.233 92 Y HN 0.249 nan 8.280 nan 0.000 0.529 93 D N 8.648 128.641 120.400 -0.678 0.000 2.440 93 D HA 0.279 4.919 4.640 -0.001 0.000 0.239 93 D C -2.255 173.569 176.300 -0.795 0.000 1.084 93 D CA -2.647 51.038 54.000 -0.525 0.000 0.843 93 D CB 1.786 42.413 40.800 -0.287 0.000 1.097 93 D HN 0.374 nan 8.370 nan 0.000 0.531 94 P HA -0.017 nan 4.420 nan 0.000 0.242 94 P C 0.570 177.767 177.300 -0.170 0.000 1.198 94 P CA 0.322 63.191 63.100 -0.385 0.000 0.756 94 P CB 0.486 32.154 31.700 -0.054 0.000 0.911 95 R N -1.128 119.264 120.500 -0.180 0.000 2.279 95 R HA 0.205 4.544 4.340 -0.001 0.000 0.195 95 R C 2.186 178.439 176.300 -0.079 0.000 0.905 95 R CA 0.438 56.482 56.100 -0.094 0.000 1.044 95 R CB 0.171 30.426 30.300 -0.075 0.000 1.056 95 R HN -0.026 nan 8.270 nan 0.000 0.535 96 R N -0.050 120.382 120.500 -0.113 0.000 2.215 96 R HA 0.214 4.553 4.340 -0.001 0.000 0.190 96 R C -0.351 175.935 176.300 -0.023 0.000 0.968 96 R CA 0.353 56.415 56.100 -0.064 0.000 1.122 96 R CB -0.069 30.181 30.300 -0.083 0.000 1.151 96 R HN 0.103 nan 8.270 nan 0.000 0.582 97 D N 2.144 122.489 120.400 -0.091 0.000 2.390 97 D HA 0.208 4.847 4.640 -0.001 0.000 0.249 97 D C -0.364 176.068 176.300 0.220 0.000 1.144 97 D CA 0.392 54.403 54.000 0.018 0.000 0.880 97 D CB 1.201 41.926 40.800 -0.124 0.000 1.182 97 D HN -0.184 nan 8.370 nan 0.000 0.451 98 L N 3.125 124.536 121.223 0.314 0.000 2.470 98 L HA 0.462 4.801 4.340 -0.001 0.000 0.268 98 L C -0.561 176.621 176.870 0.520 0.000 0.964 98 L CA -0.764 54.295 54.840 0.366 0.000 0.839 98 L CB 1.467 43.631 42.059 0.176 0.000 1.276 98 L HN 0.326 nan 8.230 nan 0.000 0.403 99 F N 0.921 120.984 119.950 0.189 0.000 2.923 99 F HA 0.954 5.480 4.527 -0.001 0.000 0.323 99 F C -1.183 174.726 175.800 0.181 0.000 1.189 99 F CA -1.470 56.685 58.000 0.258 0.000 0.930 99 F CB 1.709 40.839 39.000 0.216 0.000 1.414 99 F HN 0.493 nan 8.300 nan 0.000 0.496 100 R N 0.325 120.838 120.500 0.022 0.000 2.833 100 R HA 0.622 4.961 4.340 -0.001 0.000 0.259 100 R C -2.491 173.813 176.300 0.007 0.000 1.047 100 R CA -1.014 54.975 56.100 -0.184 0.000 0.916 100 R CB 1.098 31.344 30.300 -0.090 0.000 1.259 100 R HN 0.635 nan 8.270 nan 0.000 0.482 101 V N 1.409 121.272 119.914 -0.085 0.000 2.834 101 V HA 0.314 4.433 4.120 -0.001 0.000 0.301 101 V C 0.198 176.185 176.094 -0.178 0.000 1.066 101 V CA -0.124 62.114 62.300 -0.103 0.000 1.052 101 V CB 1.334 33.064 31.823 -0.155 0.000 1.021 101 V HN 0.727 nan 8.190 nan 0.000 0.480 102 E N 1.670 121.729 120.200 -0.234 0.000 2.272 102 E HA 0.528 4.877 4.350 -0.001 0.000 0.269 102 E C -1.947 174.451 176.600 -0.336 0.000 0.877 102 E CA -0.594 55.664 56.400 -0.237 0.000 0.755 102 E CB 2.308 31.999 29.700 -0.014 0.000 1.192 102 E HN 0.616 nan 8.360 nan 0.000 0.422 103 Y N 1.037 121.222 120.300 -0.193 0.000 2.350 103 Y HA 0.443 4.992 4.550 -0.001 0.000 0.338 103 Y C -0.311 175.622 175.900 0.054 0.000 0.961 103 Y CA -0.865 57.186 58.100 -0.081 0.000 1.100 103 Y CB 1.836 40.077 38.460 -0.364 0.000 1.179 103 Y HN 0.291 nan 8.280 nan 0.000 0.454 104 V N 3.820 123.989 119.914 0.425 0.000 2.962 104 V HA 0.771 4.890 4.120 -0.001 0.000 0.313 104 V C -1.534 174.755 176.094 0.324 0.000 1.099 104 V CA -0.927 61.613 62.300 0.400 0.000 0.971 104 V CB 2.239 34.296 31.823 0.391 0.000 1.028 104 V HN 0.753 nan 8.190 nan 0.000 0.430 105 I N 3.693 124.368 120.570 0.174 0.000 2.569 105 I HA 0.817 4.986 4.170 -0.001 0.000 0.290 105 I C 0.227 176.322 176.117 -0.035 0.000 1.088 105 I CA 0.779 62.042 61.300 -0.062 0.000 1.047 105 I CB 1.449 39.194 38.000 -0.424 0.000 1.237 105 I HN 1.645 nan 8.210 nan 0.000 0.421 106 G N 5.639 114.401 108.800 -0.063 0.000 2.795 106 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.664 106 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.664 106 G C 0.149 175.004 174.900 -0.075 0.000 1.381 106 G CA 0.155 45.228 45.100 -0.045 0.000 0.853 106 G HN 0.874 nan 8.290 nan 0.000 0.545 107 R N -0.992 119.426 120.500 -0.136 0.000 2.092 107 R HA 0.034 4.373 4.340 -0.001 0.000 0.231 107 R C 0.594 176.522 176.300 -0.619 0.000 1.119 107 R CA 1.583 57.440 56.100 -0.405 0.000 0.970 107 R CB -0.133 29.832 30.300 -0.558 0.000 0.864 107 R HN 0.543 nan 8.270 nan 0.000 0.440 108 Y N 0.422 120.720 120.300 -0.004 0.000 2.726 108 Y HA 0.372 4.921 4.550 -0.001 0.000 0.367 108 Y C -2.256 173.647 175.900 0.005 0.000 1.038 108 Y CA -3.139 54.956 58.100 -0.008 0.000 1.174 108 Y CB 0.552 39.007 38.460 -0.009 0.000 1.265 108 Y HN -0.005 nan 8.280 nan 0.000 0.622 109 P HA -0.004 nan 4.420 nan 0.000 0.265 109 P C -0.448 176.909 177.300 0.095 0.000 1.187 109 P CA 0.310 63.471 63.100 0.102 0.000 0.766 109 P CB 0.627 32.381 31.700 0.091 0.000 0.820 110 Q N 1.053 120.940 119.800 0.145 0.000 2.280 110 Q HA 0.078 4.417 4.340 -0.001 0.000 0.259 110 Q C 0.477 176.582 176.000 0.175 0.000 0.964 110 Q CA -0.402 55.475 55.803 0.123 0.000 0.844 110 Q CB 1.471 30.263 28.738 0.090 0.000 1.334 110 Q HN 0.418 nan 8.270 nan 0.000 0.423 111 E N 2.295 122.623 120.200 0.214 0.000 2.077 111 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 111 E C 1.061 177.733 176.600 0.119 0.000 0.989 111 E CA 1.142 57.667 56.400 0.209 0.000 0.800 111 E CB 0.296 30.149 29.700 0.254 0.000 0.746 111 E HN 0.544 nan 8.360 nan 0.000 0.452 112 N N 0.695 119.454 118.700 0.098 0.000 2.184 112 N HA -0.177 4.563 4.740 -0.001 0.000 0.190 112 N C 0.573 176.126 175.510 0.073 0.000 1.011 112 N CA 1.271 54.364 53.050 0.072 0.000 0.867 112 N CB 0.075 38.596 38.487 0.058 0.000 0.993 112 N HN 0.212 nan 8.380 nan 0.000 0.433 113 K N -1.400 119.052 120.400 0.086 0.000 2.478 113 K HA 0.283 4.602 4.320 -0.001 0.000 0.205 113 K C 0.629 177.292 176.600 0.106 0.000 1.033 113 K CA 0.253 56.592 56.287 0.087 0.000 1.091 113 K CB 0.761 33.309 32.500 0.079 0.000 0.844 113 K HN 0.073 nan 8.250 nan 0.000 0.507 114 G N 2.427 111.295 108.800 0.112 0.000 2.179 114 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.257 114 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.257 114 G C 0.746 175.753 174.900 0.179 0.000 1.010 114 G CA 1.240 46.417 45.100 0.128 0.000 0.736 114 G HN 0.424 nan 8.290 nan 0.000 0.513 115 T N -3.640 111.022 114.554 0.180 0.000 3.069 115 T HA 0.447 4.796 4.350 -0.001 0.000 0.252 115 T C 0.209 175.072 174.700 0.270 0.000 1.053 115 T CA 0.716 62.942 62.100 0.209 0.000 0.964 115 T CB 0.573 69.529 68.868 0.147 0.000 1.005 115 T HN 0.962 nan 8.240 nan 0.000 0.532 116 Y N 1.290 121.641 120.300 0.085 0.000 2.361 116 Y HA 0.620 5.169 4.550 -0.001 0.000 0.328 116 Y C -1.995 173.885 175.900 -0.034 0.000 1.044 116 Y CA -2.538 55.587 58.100 0.043 0.000 1.085 116 Y CB 1.187 39.661 38.460 0.023 0.000 1.194 116 Y HN 0.114 nan 8.280 nan 0.000 0.438 117 I N 9.434 129.573 120.570 -0.718 0.000 2.476 117 I HA 0.340 4.509 4.170 -0.001 0.000 0.281 117 I C -2.255 173.367 176.117 -0.825 0.000 1.040 117 I CA -2.023 58.810 61.300 -0.778 0.000 1.094 117 I CB 2.052 39.473 38.000 -0.966 0.000 1.219 117 I HN 0.430 nan 8.210 nan 0.000 0.450 118 P HA -0.076 nan 4.420 nan 0.000 0.215 118 P C 0.036 177.179 177.300 -0.262 0.000 1.157 118 P CA 0.916 63.785 63.100 -0.385 0.000 0.863 118 P CB 0.203 31.790 31.700 -0.189 0.000 0.787 119 V N -1.163 118.602 119.914 -0.249 0.000 4.923 119 V HA -0.126 3.994 4.120 -0.001 0.000 0.378 119 V C -2.108 173.928 176.094 -0.096 0.000 0.678 119 V CA -0.499 61.743 62.300 -0.096 0.000 1.503 119 V CB -2.010 29.793 31.823 -0.033 0.000 1.812 119 V HN 0.226 nan 8.190 nan 0.000 0.469 120 P HA 0.570 nan 4.420 nan 0.000 0.278 120 P C -0.078 177.132 177.300 -0.150 0.000 1.266 120 P CA -0.697 62.316 63.100 -0.145 0.000 0.807 120 P CB 1.287 32.907 31.700 -0.133 0.000 1.094 121 I N 0.533 120.978 120.570 -0.209 0.000 2.634 121 I HA 0.152 4.321 4.170 -0.001 0.000 0.284 121 I C 0.438 176.497 176.117 -0.096 0.000 1.124 121 I CA 0.066 61.254 61.300 -0.187 0.000 1.417 121 I CB 0.737 38.602 38.000 -0.226 0.000 1.396 121 I HN 0.046 nan 8.210 nan 0.000 0.571 122 V N 5.771 125.649 119.914 -0.060 0.000 2.971 122 V HA 0.287 4.406 4.120 -0.001 0.000 0.309 122 V C 0.696 176.782 176.094 -0.014 0.000 1.130 122 V CA -0.104 62.175 62.300 -0.035 0.000 0.964 122 V CB 2.254 34.059 31.823 -0.031 0.000 1.029 122 V HN 0.843 nan 8.190 nan 0.000 0.427 123 S N 3.461 119.158 115.700 -0.006 0.000 2.356 123 S HA -0.040 4.429 4.470 -0.001 0.000 0.223 123 S C 0.544 175.146 174.600 0.003 0.000 1.032 123 S CA 1.970 60.173 58.200 0.006 0.000 1.005 123 S CB -0.050 63.153 63.200 0.005 0.000 0.867 123 S HN 0.828 nan 8.310 nan 0.000 0.449 124 E N -0.256 119.941 120.200 -0.005 0.000 2.311 124 E HA 0.377 4.726 4.350 -0.001 0.000 0.281 124 E C -1.393 175.196 176.600 -0.017 0.000 0.905 124 E CA -0.289 56.106 56.400 -0.008 0.000 0.778 124 E CB 0.820 30.517 29.700 -0.005 0.000 1.240 124 E HN 0.282 nan 8.360 nan 0.000 0.410 125 L N 3.858 125.066 121.223 -0.026 0.000 2.559 125 L HA 0.088 4.427 4.340 -0.001 0.000 0.274 125 L C 1.256 178.105 176.870 -0.036 0.000 1.205 125 L CA 0.177 54.995 54.840 -0.038 0.000 0.907 125 L CB 0.110 42.135 42.059 -0.057 0.000 1.153 125 L HN 0.535 nan 8.230 nan 0.000 0.490 126 Q N 1.905 121.685 119.800 -0.033 0.000 2.214 126 Q HA 0.292 4.631 4.340 -0.001 0.000 0.168 126 Q C -0.100 175.874 176.000 -0.044 0.000 1.047 126 Q CA -0.292 55.493 55.803 -0.031 0.000 1.102 126 Q CB 1.574 30.300 28.738 -0.020 0.000 1.458 126 Q HN 0.750 nan 8.270 nan 0.000 0.561 127 S N -1.496 114.180 115.700 -0.040 0.000 2.442 127 S HA 0.525 4.994 4.470 -0.001 0.000 0.297 127 S C 0.505 175.073 174.600 -0.053 0.000 1.131 127 S CA -0.031 58.139 58.200 -0.051 0.000 1.092 127 S CB 1.077 64.251 63.200 -0.043 0.000 0.998 127 S HN 0.895 nan 8.310 nan 0.000 0.478 128 G N 2.437 111.190 108.800 -0.079 0.000 2.305 128 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.287 128 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.287 128 G C -0.361 174.500 174.900 -0.066 0.000 1.036 128 G CA 0.348 45.397 45.100 -0.085 0.000 0.887 128 G HN 0.836 nan 8.290 nan 0.000 0.505 129 K N -1.322 119.034 120.400 -0.073 0.000 2.535 129 K HA 0.334 4.653 4.320 -0.001 0.000 0.250 129 K C -0.437 176.168 176.600 0.008 0.000 0.948 129 K CA -1.031 55.256 56.287 0.000 0.000 0.796 129 K CB 1.506 34.017 32.500 0.020 0.000 1.216 129 K HN 0.148 nan 8.250 nan 0.000 0.432 130 W N 1.427 122.692 121.300 -0.058 0.000 2.257 130 W HA 0.293 4.952 4.660 -0.001 0.000 0.337 130 W C 0.951 177.426 176.519 -0.074 0.000 1.321 130 W CA 1.154 58.456 57.345 -0.071 0.000 1.267 130 W CB 0.817 30.233 29.460 -0.074 0.000 1.187 130 W HN 0.717 nan 8.180 nan 0.000 0.565 131 G N 0.633 109.532 108.800 0.166 0.000 2.655 131 G HA2 0.635 4.594 3.960 -0.001 0.000 0.296 131 G HA3 0.635 4.594 3.960 -0.001 0.000 0.296 131 G C -2.152 172.751 174.900 0.005 0.000 1.485 131 G CA -0.603 44.531 45.100 0.056 0.000 0.869 131 G HN 0.708 nan 8.290 nan 0.000 0.540 132 A N 1.281 124.082 122.820 -0.031 0.000 2.343 132 A HA 0.864 5.183 4.320 -0.001 0.000 0.316 132 A C -0.356 177.193 177.584 -0.059 0.000 1.104 132 A CA -0.720 51.279 52.037 -0.063 0.000 0.768 132 A CB 1.841 20.791 19.000 -0.082 0.000 1.213 132 A HN 0.667 nan 8.150 nan 0.000 0.456 133 K N 2.975 123.350 120.400 -0.042 0.000 2.221 133 K HA 0.585 4.905 4.320 -0.001 0.000 0.258 133 K C -0.998 175.613 176.600 0.018 0.000 0.944 133 K CA -0.579 55.701 56.287 -0.011 0.000 0.823 133 K CB 0.945 33.443 32.500 -0.004 0.000 1.113 133 K HN 0.723 nan 8.250 nan 0.000 0.431 134 I N 4.693 125.283 120.570 0.033 0.000 2.436 134 I HA -0.018 4.151 4.170 -0.001 0.000 0.289 134 I C 0.881 177.045 176.117 0.078 0.000 1.083 134 I CA -0.094 61.244 61.300 0.063 0.000 1.372 134 I CB 1.294 39.341 38.000 0.078 0.000 1.408 134 I HN 0.448 nan 8.210 nan 0.000 0.516 135 V N 8.241 128.211 119.914 0.093 0.000 3.605 135 V HA 0.323 4.442 4.120 -0.001 0.000 0.284 135 V C 0.151 176.286 176.094 0.069 0.000 1.386 135 V CA 0.470 62.822 62.300 0.088 0.000 1.053 135 V CB 0.444 32.342 31.823 0.126 0.000 0.857 135 V HN 0.743 nan 8.190 nan 0.000 0.436 136 M N 1.201 120.849 119.600 0.080 0.000 2.415 136 M HA 0.396 4.875 4.480 -0.001 0.000 0.292 136 M C -2.186 174.171 176.300 0.095 0.000 1.107 136 M CA -0.205 55.136 55.300 0.068 0.000 0.927 136 M CB 1.968 34.588 32.600 0.033 0.000 1.808 136 M HN 0.027 nan 8.290 nan 0.000 0.509 137 R N 2.853 123.412 120.500 0.098 0.000 2.407 137 R HA 0.441 4.780 4.340 -0.001 0.000 0.298 137 R C -0.642 175.719 176.300 0.101 0.000 1.166 137 R CA -0.762 55.414 56.100 0.127 0.000 1.006 137 R CB 1.751 32.151 30.300 0.167 0.000 1.145 137 R HN 0.578 nan 8.270 nan 0.000 0.538 138 E N 2.111 122.368 120.200 0.095 0.000 2.280 138 E HA 0.043 4.392 4.350 -0.001 0.000 0.261 138 E C -0.352 176.301 176.600 0.089 0.000 1.088 138 E CA -0.394 56.051 56.400 0.076 0.000 0.915 138 E CB 0.939 30.677 29.700 0.062 0.000 1.141 138 E HN 0.506 nan 8.360 nan 0.000 0.433 139 D N 0.867 121.309 120.400 0.071 0.000 2.426 139 D HA -0.077 4.562 4.640 -0.001 0.000 0.261 139 D C -0.014 176.340 176.300 0.089 0.000 1.245 139 D CA 0.202 54.245 54.000 0.072 0.000 0.917 139 D CB 0.420 41.251 40.800 0.051 0.000 1.123 139 D HN 0.485 nan 8.370 nan 0.000 0.508 140 R N 0.233 120.804 120.500 0.118 0.000 3.919 140 R HA -0.131 4.208 4.340 -0.001 0.000 0.412 140 R C -0.872 175.527 176.300 0.165 0.000 1.102 140 R CA 0.971 57.161 56.100 0.149 0.000 1.082 140 R CB -1.638 28.726 30.300 0.107 0.000 1.671 140 R HN 0.557 nan 8.270 nan 0.000 0.540 141 S N -0.381 115.415 115.700 0.160 0.000 2.619 141 S HA 0.532 5.001 4.470 -0.001 0.000 0.280 141 S C -0.476 174.212 174.600 0.146 0.000 1.150 141 S CA -0.796 57.475 58.200 0.119 0.000 0.978 141 S CB 2.794 66.050 63.200 0.094 0.000 1.041 141 S HN 0.078 nan 8.310 nan 0.000 0.485 142 V N 3.217 123.205 119.914 0.124 0.000 2.483 142 V HA 0.604 4.723 4.120 -0.001 0.000 0.295 142 V C 0.148 176.317 176.094 0.125 0.000 1.035 142 V CA -0.737 61.647 62.300 0.140 0.000 0.896 142 V CB 1.484 33.402 31.823 0.158 0.000 0.986 142 V HN 0.744 nan 8.190 nan 0.000 0.447 143 R N 4.069 124.654 120.500 0.143 0.000 2.371 143 R HA 0.584 4.923 4.340 -0.001 0.000 0.312 143 R C -1.313 175.092 176.300 0.175 0.000 0.980 143 R CA -0.485 55.726 56.100 0.184 0.000 0.867 143 R CB 1.320 31.723 30.300 0.171 0.000 1.163 143 R HN 0.671 nan 8.270 nan 0.000 0.492 144 L N 0.934 122.262 121.223 0.175 0.000 2.416 144 L HA 0.422 4.762 4.340 -0.001 0.000 0.262 144 L C 0.704 177.659 176.870 0.142 0.000 1.093 144 L CA -0.507 54.403 54.840 0.117 0.000 0.801 144 L CB 1.497 43.584 42.059 0.048 0.000 1.191 144 L HN 0.394 nan 8.230 nan 0.000 0.459 145 S N 1.713 117.432 115.700 0.032 0.000 2.622 145 S HA 0.568 5.037 4.470 -0.001 0.000 0.283 145 S C -0.594 173.870 174.600 -0.227 0.000 1.197 145 S CA -0.599 57.541 58.200 -0.102 0.000 1.146 145 S CB -0.147 63.031 63.200 -0.036 0.000 1.007 145 S HN 0.408 nan 8.310 nan 0.000 0.478 146 I N 4.053 124.363 120.570 -0.434 0.000 2.365 146 I HA 0.390 4.559 4.170 -0.001 0.000 0.291 146 I C 0.331 176.148 176.117 -0.499 0.000 1.004 146 I CA -0.449 60.563 61.300 -0.479 0.000 1.311 146 I CB 1.398 39.001 38.000 -0.662 0.000 1.401 146 I HN 0.551 nan 8.210 nan 0.000 0.491 147 Q N 5.089 124.724 119.800 -0.274 0.000 2.337 147 Q HA 0.487 4.826 4.340 -0.001 0.000 0.266 147 Q C -0.961 174.716 176.000 -0.540 0.000 1.023 147 Q CA -0.689 54.943 55.803 -0.285 0.000 0.829 147 Q CB 1.908 30.522 28.738 -0.207 0.000 1.306 147 Q HN 0.834 nan 8.270 nan 0.000 0.449 148 S N 1.730 116.960 115.700 -0.783 0.000 2.745 148 S HA 0.495 4.964 4.470 -0.001 0.000 0.292 148 S C -0.179 173.783 174.600 -1.064 0.000 1.133 148 S CA -0.867 56.326 58.200 -1.678 0.000 0.998 148 S CB 1.661 64.041 63.200 -1.366 0.000 1.087 148 S HN 0.567 nan 8.310 nan 0.000 0.551 149 S N 0.712 115.746 115.700 -1.110 0.000 2.537 149 S HA 0.374 4.844 4.470 -0.001 0.000 0.275 149 S C -2.046 172.405 174.600 -0.249 0.000 1.272 149 S CA -1.685 56.264 58.200 -0.418 0.000 1.050 149 S CB 0.410 63.543 63.200 -0.112 0.000 0.961 149 S HN 0.466 nan 8.310 nan 0.000 0.496 150 P HA 0.040 nan 4.420 nan 0.000 0.228 150 P C 0.055 177.349 177.300 -0.010 0.000 1.151 150 P CA 0.953 64.012 63.100 -0.068 0.000 0.770 150 P CB 0.079 31.752 31.700 -0.045 0.000 0.786 151 K N -1.874 118.526 120.400 -0.001 0.000 2.399 151 K HA 0.130 4.449 4.320 -0.001 0.000 0.204 151 K C 0.252 176.883 176.600 0.052 0.000 1.023 151 K CA -0.351 55.962 56.287 0.044 0.000 1.127 151 K CB -0.223 32.312 32.500 0.058 0.000 0.856 151 K HN 0.109 nan 8.250 nan 0.000 0.514 152 C N 1.704 121.019 119.300 0.024 0.000 2.665 152 C HA 0.116 4.575 4.460 -0.001 0.000 0.416 152 C C 0.964 175.990 174.990 0.061 0.000 1.305 152 C CA -0.645 58.425 59.018 0.087 0.000 1.903 152 C CB -0.485 27.268 27.740 0.021 0.000 2.704 152 C HN 0.365 nan 8.230 nan 0.000 0.629 153 I N 4.599 125.284 120.570 0.191 0.000 2.754 153 I HA 0.118 4.287 4.170 -0.001 0.000 0.285 153 I C 0.212 176.392 176.117 0.105 0.000 1.166 153 I CA 0.198 61.581 61.300 0.138 0.000 1.417 153 I CB 0.665 38.787 38.000 0.204 0.000 1.382 153 I HN 0.330 nan 8.210 nan 0.000 0.588 154 V N 5.220 125.074 119.914 -0.100 0.000 2.383 154 V HA 0.784 4.903 4.120 -0.001 0.000 0.275 154 V C 0.466 176.521 176.094 -0.064 0.000 1.036 154 V CA 0.217 62.429 62.300 -0.147 0.000 0.889 154 V CB 0.670 32.233 31.823 -0.433 0.000 0.985 154 V HN 1.043 nan 8.190 nan 0.000 0.459 155 G N 4.419 113.206 108.800 -0.021 0.000 2.320 155 G HA2 0.323 4.282 3.960 -0.001 0.000 0.296 155 G HA3 0.323 4.282 3.960 -0.001 0.000 0.296 155 G C -1.385 173.377 174.900 -0.230 0.000 1.306 155 G CA -0.884 44.113 45.100 -0.172 0.000 0.836 155 G HN 0.642 nan 8.290 nan 0.000 0.517 156 K N 0.564 120.723 120.400 -0.401 0.000 2.250 156 K HA 0.597 4.917 4.320 -0.001 0.000 0.280 156 K C -0.952 175.443 176.600 -0.343 0.000 1.098 156 K CA -0.476 55.505 56.287 -0.511 0.000 0.916 156 K CB -0.040 32.026 32.500 -0.724 0.000 1.209 156 K HN 0.208 nan 8.250 nan 0.000 0.461 157 F N 2.306 122.168 119.950 -0.146 0.000 2.378 157 F HA 0.420 4.947 4.527 -0.001 0.000 0.325 157 F C 0.816 176.614 175.800 -0.003 0.000 1.097 157 F CA -0.675 57.320 58.000 -0.009 0.000 1.079 157 F CB 1.028 40.093 39.000 0.108 0.000 1.240 157 F HN 0.312 nan 8.300 nan 0.000 0.519 158 R N 1.689 122.316 120.500 0.211 0.000 2.368 158 R HA 0.481 4.820 4.340 -0.001 0.000 0.302 158 R C -0.456 175.789 176.300 -0.092 0.000 1.002 158 R CA -0.551 55.529 56.100 -0.033 0.000 0.929 158 R CB 1.374 31.626 30.300 -0.081 0.000 1.073 158 R HN 0.661 nan 8.270 nan 0.000 0.464 159 M N 2.880 122.298 119.600 -0.303 0.000 2.478 159 M HA 0.434 4.913 4.480 -0.001 0.000 0.327 159 M C -1.560 174.429 176.300 -0.517 0.000 1.187 159 M CA -0.440 54.629 55.300 -0.385 0.000 1.022 159 M CB 1.048 33.491 32.600 -0.261 0.000 1.629 159 M HN 0.556 nan 8.290 nan 0.000 0.461 160 Y N 1.260 121.436 120.300 -0.207 0.000 2.552 160 Y HA 0.516 5.065 4.550 -0.001 0.000 0.337 160 Y C -0.963 174.883 175.900 -0.090 0.000 1.094 160 Y CA -0.908 57.128 58.100 -0.108 0.000 1.028 160 Y CB 1.925 40.349 38.460 -0.060 0.000 1.321 160 Y HN 0.354 nan 8.280 nan 0.000 0.456 161 V N 2.112 122.113 119.914 0.145 0.000 2.513 161 V HA 0.906 5.026 4.120 -0.001 0.000 0.299 161 V C -0.497 175.710 176.094 0.188 0.000 1.035 161 V CA -0.779 61.623 62.300 0.169 0.000 0.889 161 V CB 1.469 33.403 31.823 0.185 0.000 0.988 161 V HN 0.844 nan 8.190 nan 0.000 0.440 162 A N 4.128 127.085 122.820 0.228 0.000 2.356 162 A HA 0.840 5.159 4.320 -0.001 0.000 0.310 162 A C -1.019 176.724 177.584 0.265 0.000 1.075 162 A CA -0.540 51.587 52.037 0.149 0.000 0.746 162 A CB 1.740 20.779 19.000 0.065 0.000 1.221 162 A HN 0.636 nan 8.150 nan 0.000 0.443 163 V N 2.347 122.349 119.914 0.147 0.000 2.370 163 V HA 0.298 4.418 4.120 -0.001 0.000 0.283 163 V C -0.976 175.144 176.094 0.044 0.000 1.023 163 V CA -0.364 62.068 62.300 0.221 0.000 0.857 163 V CB 0.909 32.830 31.823 0.163 0.000 0.985 163 V HN 0.868 nan 8.190 nan 0.000 0.443 164 W N 3.732 125.047 121.300 0.025 0.000 2.335 164 W HA 0.531 5.190 4.660 -0.001 0.000 0.306 164 W C 0.897 177.315 176.519 -0.167 0.000 1.216 164 W CA -0.203 57.106 57.345 -0.060 0.000 1.237 164 W CB 1.102 30.549 29.460 -0.022 0.000 1.243 164 W HN 0.647 nan 8.180 nan 0.000 0.493 165 T N 1.004 115.430 114.554 -0.213 0.000 2.952 165 T HA 0.430 4.779 4.350 -0.001 0.000 0.286 165 T C -1.517 172.952 174.700 -0.385 0.000 1.024 165 T CA -2.260 59.512 62.100 -0.546 0.000 1.029 165 T CB 2.236 70.502 68.868 -1.005 0.000 1.094 165 T HN 0.254 nan 8.240 nan 0.000 0.515 166 P HA 0.058 nan 4.420 nan 0.000 0.242 166 P C 0.089 177.111 177.300 -0.462 0.000 1.197 166 P CA 0.521 63.338 63.100 -0.472 0.000 0.765 166 P CB -0.198 31.202 31.700 -0.500 0.000 0.936 167 Y N -0.529 119.721 120.300 -0.083 0.000 2.462 167 Y HA 0.504 5.054 4.550 -0.001 0.000 0.253 167 Y C 1.674 177.505 175.900 -0.115 0.000 1.095 167 Y CA 0.148 58.200 58.100 -0.081 0.000 1.283 167 Y CB 0.059 38.465 38.460 -0.089 0.000 1.138 167 Y HN 0.015 nan 8.280 nan 0.000 0.522 168 G N -0.264 108.477 108.800 -0.098 0.000 2.351 168 G HA2 0.352 4.312 3.960 -0.001 0.000 0.279 168 G HA3 0.352 4.312 3.960 -0.001 0.000 0.279 168 G C -1.739 172.956 174.900 -0.341 0.000 1.297 168 G CA -0.440 44.547 45.100 -0.187 0.000 0.886 168 G HN 0.334 nan 8.290 nan 0.000 0.493 169 V N -1.302 118.348 119.914 -0.440 0.000 2.630 169 V HA 0.915 5.034 4.120 -0.001 0.000 0.305 169 V C -0.226 175.680 176.094 -0.313 0.000 1.046 169 V CA -1.014 60.968 62.300 -0.530 0.000 0.934 169 V CB 1.361 32.726 31.823 -0.763 0.000 1.003 169 V HN 0.842 nan 8.190 nan 0.000 0.451 170 L N 4.854 125.934 121.223 -0.239 0.000 2.341 170 L HA 0.830 5.170 4.340 -0.001 0.000 0.278 170 L C -0.100 176.715 176.870 -0.090 0.000 1.005 170 L CA -0.792 53.973 54.840 -0.126 0.000 0.818 170 L CB 1.923 43.944 42.059 -0.063 0.000 1.259 170 L HN 1.020 nan 8.230 nan 0.000 0.418 171 R N 0.120 120.583 120.500 -0.063 0.000 2.774 171 R HA 0.662 5.001 4.340 -0.001 0.000 0.272 171 R C -0.558 175.761 176.300 0.033 0.000 1.000 171 R CA -0.729 55.361 56.100 -0.016 0.000 0.906 171 R CB 1.351 31.605 30.300 -0.077 0.000 1.227 171 R HN 0.569 nan 8.270 nan 0.000 0.468 172 T N 0.009 114.620 114.554 0.095 0.000 2.663 172 T HA 0.193 4.542 4.350 -0.001 0.000 0.325 172 T C 0.535 175.327 174.700 0.152 0.000 1.059 172 T CA -0.200 61.966 62.100 0.111 0.000 1.039 172 T CB 0.383 69.317 68.868 0.111 0.000 0.996 172 T HN 0.736 nan 8.240 nan 0.000 0.539 173 S N -0.730 115.039 115.700 0.114 0.000 2.681 173 S HA 0.564 5.033 4.470 -0.001 0.000 0.299 173 S C -0.143 174.522 174.600 0.109 0.000 1.113 173 S CA -1.276 56.995 58.200 0.118 0.000 1.013 173 S CB 1.122 64.353 63.200 0.052 0.000 1.076 173 S HN 0.768 nan 8.310 nan 0.000 0.534 174 R N 1.561 122.137 120.500 0.126 0.000 2.526 174 R HA 0.036 4.375 4.340 -0.001 0.000 0.319 174 R C -0.791 175.480 176.300 -0.048 0.000 0.888 174 R CA 0.761 56.882 56.100 0.034 0.000 1.127 174 R CB -0.845 29.483 30.300 0.047 0.000 0.888 174 R HN 0.715 nan 8.270 nan 0.000 0.410 175 N N 5.447 124.067 118.700 -0.133 0.000 2.609 175 N HA 0.336 5.075 4.740 -0.001 0.000 0.268 175 N C -2.400 173.034 175.510 -0.128 0.000 1.106 175 N CA -2.192 50.789 53.050 -0.114 0.000 0.823 175 N CB 1.806 40.223 38.487 -0.117 0.000 1.263 175 N HN 0.280 nan 8.380 nan 0.000 0.533 176 P HA -0.074 nan 4.420 nan 0.000 0.220 176 P C 0.754 178.018 177.300 -0.061 0.000 1.148 176 P CA 0.814 63.870 63.100 -0.074 0.000 0.803 176 P CB 0.530 32.201 31.700 -0.048 0.000 0.782 177 E N -0.683 119.482 120.200 -0.058 0.000 2.418 177 E HA -0.073 4.277 4.350 -0.001 0.000 0.197 177 E C 1.137 177.706 176.600 -0.051 0.000 1.026 177 E CA 1.006 57.379 56.400 -0.045 0.000 0.862 177 E CB -1.008 28.667 29.700 -0.042 0.000 0.799 177 E HN 0.243 nan 8.360 nan 0.000 0.518 178 T N -1.880 112.629 114.554 -0.076 0.000 3.186 178 T HA 0.179 4.529 4.350 -0.001 0.000 0.257 178 T C -0.043 174.628 174.700 -0.049 0.000 1.029 178 T CA -0.615 61.442 62.100 -0.071 0.000 0.916 178 T CB -0.065 68.739 68.868 -0.108 0.000 1.041 178 T HN -0.216 nan 8.240 nan 0.000 0.562 179 D N 2.754 123.125 120.400 -0.049 0.000 2.382 179 D HA 0.348 4.987 4.640 -0.001 0.000 0.245 179 D C -0.121 176.184 176.300 0.009 0.000 1.120 179 D CA 0.450 54.424 54.000 -0.043 0.000 0.890 179 D CB 1.177 41.922 40.800 -0.093 0.000 1.201 179 D HN 0.191 nan 8.370 nan 0.000 0.433 180 T N 1.909 116.489 114.554 0.042 0.000 2.848 180 T HA 0.332 4.682 4.350 -0.001 0.000 0.285 180 T C -0.576 174.146 174.700 0.037 0.000 0.995 180 T CA -0.539 61.601 62.100 0.067 0.000 0.970 180 T CB 0.517 69.445 68.868 0.100 0.000 0.976 180 T HN 0.085 nan 8.240 nan 0.000 0.441 181 Y N 1.848 122.112 120.300 -0.060 0.000 2.334 181 Y HA 0.603 5.152 4.550 -0.001 0.000 0.328 181 Y C 0.388 176.231 175.900 -0.095 0.000 1.130 181 Y CA -1.139 56.930 58.100 -0.052 0.000 1.163 181 Y CB 0.867 39.242 38.460 -0.142 0.000 1.207 181 Y HN 0.458 nan 8.280 nan 0.000 0.471 182 I N 5.069 125.721 120.570 0.138 0.000 2.448 182 I HA 0.279 4.448 4.170 -0.001 0.000 0.281 182 I C -0.860 175.263 176.117 0.010 0.000 1.027 182 I CA -0.281 61.025 61.300 0.010 0.000 1.111 182 I CB 0.808 38.792 38.000 -0.028 0.000 1.236 182 I HN 0.385 nan 8.210 nan 0.000 0.452 183 L N 4.506 125.727 121.223 -0.004 0.000 2.431 183 L HA 0.533 4.873 4.340 -0.001 0.000 0.260 183 L C -0.057 176.843 176.870 0.050 0.000 1.098 183 L CA -0.756 54.102 54.840 0.030 0.000 0.800 183 L CB 0.760 42.877 42.059 0.097 0.000 1.210 183 L HN 0.281 nan 8.230 nan 0.000 0.465 184 F N 0.506 120.521 119.950 0.109 0.000 2.535 184 F HA 0.046 4.572 4.527 -0.002 0.000 0.332 184 F C 0.728 176.633 175.800 0.175 0.000 1.208 184 F CA 0.390 58.463 58.000 0.120 0.000 1.330 184 F CB 0.191 39.255 39.000 0.107 0.000 1.167 184 F HN 0.396 nan 8.300 nan 0.000 0.597 185 N N 1.461 120.400 118.700 0.397 0.000 2.609 185 N HA 0.341 5.080 4.740 -0.001 0.000 0.268 185 N C -2.441 173.292 175.510 0.371 0.000 1.106 185 N CA -2.017 51.264 53.050 0.385 0.000 0.823 185 N CB 1.357 40.010 38.487 0.277 0.000 1.263 185 N HN -0.023 nan 8.380 nan 0.000 0.533 186 P HA 0.042 nan 4.420 nan 0.000 0.234 186 P C 0.698 178.059 177.300 0.101 0.000 1.167 186 P CA 0.717 63.882 63.100 0.107 0.000 0.763 186 P CB 0.115 31.697 31.700 -0.197 0.000 0.835 187 W N -2.004 119.400 121.300 0.173 0.000 3.197 187 W HA 0.191 4.851 4.660 -0.001 0.000 0.274 187 W C 0.193 176.775 176.519 0.105 0.000 1.297 187 W CA -0.250 57.191 57.345 0.161 0.000 1.662 187 W CB -0.061 29.416 29.460 0.027 0.000 1.106 187 W HN -0.115 nan 8.180 nan 0.000 0.663 188 C N 3.281 122.702 119.300 0.203 0.000 2.285 188 C HA 0.143 4.603 4.460 -0.001 0.000 0.335 188 C C 1.845 176.543 174.990 -0.487 0.000 1.267 188 C CA -0.479 58.488 59.018 -0.084 0.000 1.762 188 C CB 0.385 28.125 27.740 -0.001 0.000 2.365 188 C HN 0.323 nan 8.230 nan 0.000 0.527 189 E N 2.511 122.263 120.200 -0.747 0.000 2.171 189 E HA -0.196 4.153 4.350 -0.001 0.000 0.197 189 E C 0.627 176.990 176.600 -0.395 0.000 0.997 189 E CA 1.501 57.336 56.400 -0.942 0.000 0.810 189 E CB -0.169 29.219 29.700 -0.521 0.000 0.738 189 E HN 0.763 nan 8.360 nan 0.000 0.467 190 D N 1.083 121.353 120.400 -0.216 0.000 2.328 190 D HA 0.009 4.649 4.640 -0.001 0.000 0.226 190 D C -0.043 176.243 176.300 -0.023 0.000 1.066 190 D CA 0.206 54.151 54.000 -0.091 0.000 0.861 190 D CB 0.116 40.870 40.800 -0.078 0.000 0.912 190 D HN 0.066 nan 8.370 nan 0.000 0.521 191 D N 0.321 120.727 120.400 0.011 0.000 2.233 191 D HA 0.278 4.917 4.640 -0.001 0.000 0.240 191 D C 1.165 177.548 176.300 0.139 0.000 1.074 191 D CA -0.512 53.549 54.000 0.102 0.000 0.838 191 D CB 1.867 42.763 40.800 0.159 0.000 1.124 191 D HN -0.083 nan 8.370 nan 0.000 0.475 192 A N 3.325 126.218 122.820 0.123 0.000 1.971 192 A HA -0.178 4.141 4.320 -0.001 0.000 0.222 192 A C 1.870 179.491 177.584 0.061 0.000 1.182 192 A CA 1.308 53.390 52.037 0.075 0.000 0.649 192 A CB -0.302 18.740 19.000 0.071 0.000 0.818 192 A HN 0.458 nan 8.150 nan 0.000 0.458 193 V N -0.492 119.498 119.914 0.127 0.000 3.490 193 V HA 0.095 4.214 4.120 -0.001 0.000 0.315 193 V C 0.298 176.555 176.094 0.272 0.000 1.284 193 V CA -0.307 62.072 62.300 0.132 0.000 1.233 193 V CB -1.231 30.620 31.823 0.046 0.000 1.101 193 V HN 0.539 nan 8.190 nan 0.000 0.425 194 Y N 1.049 121.436 120.300 0.144 0.000 2.465 194 Y HA 0.359 4.908 4.550 -0.001 0.000 0.331 194 Y C -0.179 175.809 175.900 0.146 0.000 1.102 194 Y CA -0.398 57.767 58.100 0.108 0.000 1.358 194 Y CB 0.407 38.908 38.460 0.070 0.000 1.213 194 Y HN 0.117 nan 8.280 nan 0.000 0.525 195 L N 7.059 127.929 121.223 -0.588 0.000 2.287 195 L HA 0.210 4.549 4.340 -0.001 0.000 0.287 195 L C 0.563 176.779 176.870 -1.090 0.000 1.022 195 L CA -0.642 53.695 54.840 -0.838 0.000 0.814 195 L CB 1.313 42.915 42.059 -0.760 0.000 1.217 195 L HN 0.766 nan 8.230 nan 0.000 0.420 196 D N 1.480 121.320 120.400 -0.933 0.000 2.378 196 D HA -0.075 4.564 4.640 -0.001 0.000 0.227 196 D C -0.044 176.077 176.300 -0.298 0.000 1.012 196 D CA 0.246 53.871 54.000 -0.626 0.000 0.905 196 D CB -0.193 40.414 40.800 -0.322 0.000 0.895 196 D HN 0.605 nan 8.370 nan 0.000 0.532 197 N N -1.860 116.644 118.700 -0.327 0.000 2.308 197 N HA 0.152 4.892 4.740 -0.001 0.000 0.283 197 N C 0.155 175.529 175.510 -0.228 0.000 1.105 197 N CA -0.787 52.141 53.050 -0.203 0.000 0.840 197 N CB 1.778 40.179 38.487 -0.145 0.000 1.633 197 N HN -0.299 nan 8.380 nan 0.000 0.476 198 E N 1.113 121.233 120.200 -0.133 0.000 2.130 198 E HA -0.205 4.144 4.350 -0.001 0.000 0.196 198 E C 0.950 177.477 176.600 -0.120 0.000 0.998 198 E CA 1.650 57.992 56.400 -0.095 0.000 0.806 198 E CB 0.087 29.807 29.700 0.033 0.000 0.738 198 E HN 0.548 nan 8.360 nan 0.000 0.459 199 K N 0.461 120.787 120.400 -0.124 0.000 2.032 199 K HA -0.166 4.153 4.320 -0.001 0.000 0.209 199 K C 2.147 178.605 176.600 -0.236 0.000 1.048 199 K CA 1.706 57.908 56.287 -0.141 0.000 0.927 199 K CB -0.372 32.055 32.500 -0.121 0.000 0.712 199 K HN 0.379 nan 8.250 nan 0.000 0.441 200 E N 0.463 120.493 120.200 -0.282 0.000 2.028 200 E HA -0.138 4.211 4.350 -0.001 0.000 0.191 200 E C 2.285 178.653 176.600 -0.387 0.000 0.988 200 E CA 0.862 57.020 56.400 -0.403 0.000 0.799 200 E CB -0.132 29.415 29.700 -0.255 0.000 0.755 200 E HN 0.241 nan 8.360 nan 0.000 0.447 201 R N 0.903 121.177 120.500 -0.376 0.000 2.096 201 R HA -0.207 4.132 4.340 -0.001 0.000 0.240 201 R C 2.338 178.511 176.300 -0.212 0.000 1.139 201 R CA 1.613 57.439 56.100 -0.456 0.000 0.952 201 R CB -0.226 29.563 30.300 -0.852 0.000 0.854 201 R HN 0.198 nan 8.270 nan 0.000 0.436 202 E N 0.097 120.223 120.200 -0.125 0.000 2.051 202 E HA -0.246 4.103 4.350 -0.001 0.000 0.192 202 E C 1.894 178.474 176.600 -0.033 0.000 0.991 202 E CA 1.579 57.981 56.400 0.004 0.000 0.799 202 E CB 0.086 29.785 29.700 -0.002 0.000 0.748 202 E HN 0.183 nan 8.360 nan 0.000 0.449 203 E N -0.226 119.860 120.200 -0.189 0.000 2.006 203 E HA -0.186 4.163 4.350 -0.001 0.000 0.192 203 E C 1.564 178.104 176.600 -0.100 0.000 0.993 203 E CA 1.547 57.807 56.400 -0.234 0.000 0.808 203 E CB -0.413 28.974 29.700 -0.522 0.000 0.764 203 E HN 0.339 nan 8.360 nan 0.000 0.449 204 Y N -0.570 119.747 120.300 0.028 0.000 2.616 204 Y HA 0.095 4.645 4.550 -0.001 0.000 0.296 204 Y C 1.750 177.664 175.900 0.023 0.000 1.154 204 Y CA 0.413 58.539 58.100 0.044 0.000 1.325 204 Y CB 0.038 38.542 38.460 0.073 0.000 1.007 204 Y HN -0.012 nan 8.280 nan 0.000 0.542 205 V N -2.405 117.599 119.914 0.149 0.000 3.102 205 V HA 0.005 4.125 4.120 -0.001 0.000 0.225 205 V C 1.541 177.803 176.094 0.281 0.000 1.301 205 V CA 0.135 62.542 62.300 0.178 0.000 1.308 205 V CB -0.237 31.682 31.823 0.160 0.000 1.129 205 V HN 0.002 nan 8.190 nan 0.000 0.502 206 L N 1.093 122.504 121.223 0.313 0.000 2.478 206 L HA 0.215 4.554 4.340 -0.001 0.000 0.223 206 L C 0.933 178.030 176.870 0.378 0.000 1.140 206 L CA 0.995 56.075 54.840 0.400 0.000 0.842 206 L CB -1.327 40.916 42.059 0.307 0.000 0.953 206 L HN 0.327 nan 8.230 nan 0.000 0.452 207 N N 1.224 120.081 118.700 0.262 0.000 2.422 207 N HA -0.004 4.735 4.740 -0.001 0.000 0.264 207 N C 0.064 175.750 175.510 0.293 0.000 1.063 207 N CA -0.069 53.127 53.050 0.244 0.000 0.959 207 N CB 0.984 39.576 38.487 0.175 0.000 1.087 207 N HN 0.105 nan 8.380 nan 0.000 0.483 208 D N 3.490 124.060 120.400 0.283 0.000 2.491 208 D HA 0.179 4.818 4.640 -0.001 0.000 0.228 208 D C 0.120 176.530 176.300 0.182 0.000 1.183 208 D CA 0.062 54.212 54.000 0.250 0.000 0.827 208 D CB -0.162 40.743 40.800 0.175 0.000 0.989 208 D HN 0.386 nan 8.370 nan 0.000 0.494 209 I N -0.388 120.281 120.570 0.165 0.000 2.722 209 I HA 0.631 4.800 4.170 -0.001 0.000 0.295 209 I C 0.030 176.140 176.117 -0.010 0.000 1.161 209 I CA -0.987 60.296 61.300 -0.029 0.000 1.032 209 I CB 2.516 40.522 38.000 0.010 0.000 1.244 209 I HN 0.053 nan 8.210 nan 0.000 0.421 210 G N 3.449 112.122 108.800 -0.212 0.000 2.708 210 G HA2 0.731 4.690 3.960 -0.001 0.000 0.289 210 G HA3 0.731 4.690 3.960 -0.001 0.000 0.289 210 G C -1.399 173.463 174.900 -0.062 0.000 1.416 210 G CA -0.600 44.490 45.100 -0.017 0.000 0.829 210 G HN 0.538 nan 8.290 nan 0.000 0.480 211 V N -1.841 118.040 119.914 -0.055 0.000 2.628 211 V HA 0.807 4.926 4.120 -0.001 0.000 0.306 211 V C -0.418 175.479 176.094 -0.329 0.000 1.045 211 V CA -1.077 61.078 62.300 -0.243 0.000 0.905 211 V CB 1.570 33.164 31.823 -0.382 0.000 0.997 211 V HN 0.657 nan 8.190 nan 0.000 0.436 212 I N 3.811 124.140 120.570 -0.401 0.000 2.404 212 I HA 0.489 4.658 4.170 -0.001 0.000 0.293 212 I C -1.012 174.830 176.117 -0.458 0.000 0.992 212 I CA -0.289 60.815 61.300 -0.326 0.000 1.149 212 I CB 1.809 39.641 38.000 -0.279 0.000 1.315 212 I HN 0.563 nan 8.210 nan 0.000 0.446 213 F N 6.836 126.717 119.950 -0.115 0.000 2.405 213 F HA 0.392 4.918 4.527 -0.001 0.000 0.355 213 F C 0.171 175.832 175.800 -0.232 0.000 1.121 213 F CA -0.365 57.560 58.000 -0.125 0.000 1.112 213 F CB 0.600 39.541 39.000 -0.097 0.000 1.126 213 F HN 0.374 nan 8.300 nan 0.000 0.481 214 Y N 0.666 120.736 120.300 -0.384 0.000 3.257 214 Y HA 0.933 5.483 4.550 -0.001 0.000 0.292 214 Y C 0.687 176.347 175.900 -0.401 0.000 1.790 214 Y CA -1.176 56.382 58.100 -0.905 0.000 1.007 214 Y CB 0.195 37.887 38.460 -1.279 0.000 1.436 214 Y HN 0.817 nan 8.280 nan 0.000 0.592 215 G N 0.939 109.468 108.800 -0.451 0.000 2.554 215 G HA2 0.114 4.074 3.960 -0.001 0.000 0.253 215 G HA3 0.114 4.074 3.960 -0.001 0.000 0.253 215 G C -0.913 174.037 174.900 0.084 0.000 1.172 215 G CA 0.456 45.438 45.100 -0.198 0.000 0.950 215 G HN 1.417 nan 8.290 nan 0.000 0.557 216 E N -1.370 118.801 120.200 -0.048 0.000 2.390 216 E HA 0.602 4.951 4.350 -0.001 0.000 0.280 216 E C 0.942 177.220 176.600 -0.537 0.000 0.992 216 E CA -0.160 56.151 56.400 -0.149 0.000 0.790 216 E CB 1.145 30.805 29.700 -0.067 0.000 1.248 216 E HN 1.607 nan 8.360 nan 0.000 0.447 217 V N -0.139 119.267 119.914 -0.846 0.000 2.311 217 V HA -0.365 3.755 4.120 -0.001 0.000 0.259 217 V C 0.935 176.758 176.094 -0.453 0.000 1.086 217 V CA 2.108 63.918 62.300 -0.816 0.000 1.078 217 V CB -0.978 30.537 31.823 -0.514 0.000 0.668 217 V HN 0.766 nan 8.190 nan 0.000 0.452 218 N N 0.686 119.215 118.700 -0.285 0.000 2.362 218 N HA 0.186 4.925 4.740 -0.001 0.000 0.211 218 N C -0.110 175.296 175.510 -0.174 0.000 1.170 218 N CA 0.729 53.668 53.050 -0.185 0.000 0.828 218 N CB 0.337 38.755 38.487 -0.115 0.000 1.034 218 N HN 0.769 nan 8.380 nan 0.000 0.475 219 D N 0.179 120.445 120.400 -0.223 0.000 3.204 219 D HA 0.120 4.759 4.640 -0.001 0.000 0.220 219 D C -0.834 175.325 176.300 -0.233 0.000 1.451 219 D CA -0.245 53.642 54.000 -0.189 0.000 1.183 219 D CB -0.130 40.579 40.800 -0.151 0.000 1.348 219 D HN -0.018 nan 8.370 nan 0.000 0.664 220 I N 2.212 122.638 120.570 -0.239 0.000 2.517 220 I HA 0.105 4.274 4.170 -0.001 0.000 0.285 220 I C 0.662 176.668 176.117 -0.184 0.000 1.106 220 I CA 0.333 61.517 61.300 -0.193 0.000 1.402 220 I CB 0.519 38.441 38.000 -0.129 0.000 1.399 220 I HN -0.023 nan 8.210 nan 0.000 0.535 221 K N 5.066 125.254 120.400 -0.353 0.000 2.221 221 K HA 0.522 4.841 4.320 -0.001 0.000 0.258 221 K C -0.163 176.132 176.600 -0.509 0.000 0.944 221 K CA -0.704 55.247 56.287 -0.559 0.000 0.823 221 K CB 2.113 33.968 32.500 -1.074 0.000 1.113 221 K HN 0.648 nan 8.250 nan 0.000 0.431 222 T N -0.082 114.276 114.554 -0.327 0.000 2.942 222 T HA 0.768 5.117 4.350 -0.001 0.000 0.289 222 T C -0.704 173.885 174.700 -0.185 0.000 1.044 222 T CA -1.106 60.778 62.100 -0.360 0.000 1.023 222 T CB 1.502 70.110 68.868 -0.432 0.000 1.123 222 T HN 0.724 nan 8.240 nan 0.000 0.512 223 R N -0.421 119.923 120.500 -0.260 0.000 2.579 223 R HA 0.608 4.947 4.340 -0.001 0.000 0.260 223 R C -1.403 174.767 176.300 -0.216 0.000 1.103 223 R CA -0.617 55.349 56.100 -0.224 0.000 0.942 223 R CB 0.490 30.571 30.300 -0.364 0.000 1.251 223 R HN 0.526 nan 8.270 nan 0.000 0.450 224 S N 2.781 118.395 115.700 -0.143 0.000 2.548 224 S HA 0.380 4.849 4.470 -0.001 0.000 0.277 224 S C -1.230 173.353 174.600 -0.028 0.000 1.315 224 S CA -0.389 57.757 58.200 -0.090 0.000 1.050 224 S CB 0.264 63.420 63.200 -0.074 0.000 0.918 224 S HN 0.490 nan 8.310 nan 0.000 0.497 225 W N 2.832 123.970 121.300 -0.270 0.000 2.883 225 W HA 0.422 5.081 4.660 -0.001 0.000 0.335 225 W C -0.719 175.564 176.519 -0.393 0.000 1.083 225 W CA -0.712 56.466 57.345 -0.279 0.000 1.233 225 W CB 1.797 31.101 29.460 -0.260 0.000 1.412 225 W HN 0.531 nan 8.180 nan 0.000 0.490 226 S N 4.462 119.793 115.700 -0.614 0.000 2.411 226 S HA 0.193 4.662 4.470 -0.001 0.000 0.294 226 S C 0.380 174.812 174.600 -0.280 0.000 1.115 226 S CA -0.241 57.719 58.200 -0.400 0.000 1.071 226 S CB 0.318 63.338 63.200 -0.300 0.000 0.967 226 S HN 0.400 nan 8.310 nan 0.000 0.488 227 Y N 3.781 124.157 120.300 0.127 0.000 2.337 227 Y HA 0.178 4.727 4.550 -0.001 0.000 0.293 227 Y C 2.245 178.166 175.900 0.036 0.000 1.123 227 Y CA 0.273 58.468 58.100 0.159 0.000 1.201 227 Y CB -0.820 37.722 38.460 0.137 0.000 1.011 227 Y HN 0.908 nan 8.280 nan 0.000 0.545 228 G N 1.529 110.396 108.800 0.112 0.000 2.422 228 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.301 228 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.301 228 G C 1.213 176.108 174.900 -0.008 0.000 0.981 228 G CA 0.741 45.873 45.100 0.053 0.000 0.994 228 G HN 0.530 nan 8.290 nan 0.000 0.514 229 Q N -0.996 118.700 119.800 -0.174 0.000 2.170 229 Q HA -0.092 4.247 4.340 -0.001 0.000 0.203 229 Q C 1.829 177.587 176.000 -0.403 0.000 0.976 229 Q CA 1.582 57.181 55.803 -0.341 0.000 0.858 229 Q CB -0.388 27.997 28.738 -0.589 0.000 0.907 229 Q HN 0.602 nan 8.270 nan 0.000 0.433 230 F N 1.897 121.806 119.950 -0.070 0.000 2.811 230 F HA 0.199 4.725 4.527 -0.001 0.000 0.301 230 F C 1.011 176.840 175.800 0.049 0.000 1.151 230 F CA -0.240 57.675 58.000 -0.142 0.000 1.412 230 F CB -0.098 38.773 39.000 -0.214 0.000 1.113 230 F HN -0.083 nan 8.300 nan 0.000 0.579 231 E N 0.877 121.196 120.200 0.199 0.000 2.409 231 E HA -0.070 4.279 4.350 -0.001 0.000 0.257 231 E C -0.433 176.267 176.600 0.167 0.000 1.150 231 E CA -0.091 56.440 56.400 0.219 0.000 0.942 231 E CB 0.449 30.263 29.700 0.190 0.000 0.979 231 E HN 0.085 nan 8.360 nan 0.000 0.447 232 D N -0.916 119.560 120.400 0.127 0.000 2.417 232 D HA 0.224 4.863 4.640 -0.001 0.000 0.250 232 D C 0.978 177.319 176.300 0.067 0.000 1.166 232 D CA 1.441 55.485 54.000 0.074 0.000 0.881 232 D CB 0.253 41.057 40.800 0.007 0.000 1.164 232 D HN 0.529 nan 8.370 nan 0.000 0.467 233 G N 3.646 112.486 108.800 0.067 0.000 2.268 233 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.240 233 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.240 233 G C 1.129 176.078 174.900 0.083 0.000 1.010 233 G CA 0.264 45.399 45.100 0.059 0.000 0.618 233 G HN 0.481 nan 8.290 nan 0.000 0.516 234 I N 1.094 121.726 120.570 0.102 0.000 2.179 234 I HA -0.010 4.160 4.170 -0.001 0.000 0.242 234 I C 2.826 179.020 176.117 0.128 0.000 1.088 234 I CA 1.527 62.897 61.300 0.116 0.000 1.357 234 I CB -1.453 36.609 38.000 0.103 0.000 1.051 234 I HN 0.381 nan 8.210 nan 0.000 0.409 235 L N 0.679 121.983 121.223 0.135 0.000 2.013 235 L HA -0.290 4.049 4.340 -0.001 0.000 0.212 235 L C 2.299 179.252 176.870 0.138 0.000 1.073 235 L CA 1.894 56.804 54.840 0.116 0.000 0.753 235 L CB -0.365 41.702 42.059 0.014 0.000 0.890 235 L HN 0.340 nan 8.230 nan 0.000 0.432 236 D N -1.280 119.210 120.400 0.149 0.000 2.117 236 D HA -0.156 4.484 4.640 -0.001 0.000 0.198 236 D C 1.928 178.329 176.300 0.169 0.000 0.982 236 D CA 1.824 55.927 54.000 0.172 0.000 0.828 236 D CB -0.020 40.861 40.800 0.135 0.000 0.967 236 D HN 0.405 nan 8.370 nan 0.000 0.464 237 T N 0.908 115.553 114.554 0.151 0.000 2.720 237 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 237 T C 2.300 177.195 174.700 0.325 0.000 1.037 237 T CA 0.812 63.031 62.100 0.198 0.000 1.144 237 T CB -0.522 68.455 68.868 0.181 0.000 0.864 237 T HN 0.253 nan 8.240 nan 0.000 0.444 238 C N 1.047 120.505 119.300 0.263 0.000 2.413 238 C HA 0.017 4.476 4.460 -0.001 0.000 0.277 238 C C 2.660 177.809 174.990 0.265 0.000 1.265 238 C CA 0.448 59.627 59.018 0.269 0.000 1.752 238 C CB -1.425 26.338 27.740 0.039 0.000 1.998 238 C HN 0.538 nan 8.230 nan 0.000 0.489 239 L N -0.881 120.471 121.223 0.214 0.000 2.179 239 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 239 L C 2.475 179.481 176.870 0.227 0.000 1.096 239 L CA 1.390 56.338 54.840 0.179 0.000 0.779 239 L CB -0.856 41.278 42.059 0.124 0.000 0.922 239 L HN 0.374 nan 8.230 nan 0.000 0.443 240 Y N 0.705 121.079 120.300 0.123 0.000 2.200 240 Y HA -0.200 4.350 4.550 -0.001 0.000 0.290 240 Y C 2.355 178.352 175.900 0.163 0.000 1.137 240 Y CA 1.379 59.541 58.100 0.103 0.000 1.163 240 Y CB -0.270 38.228 38.460 0.063 0.000 0.988 240 Y HN -0.179 nan 8.280 nan 0.000 0.518 241 V N 1.094 121.194 119.914 0.309 0.000 2.219 241 V HA -0.429 3.690 4.120 -0.001 0.000 0.248 241 V C 2.450 178.610 176.094 0.110 0.000 1.053 241 V CA 2.644 65.082 62.300 0.231 0.000 1.009 241 V CB -0.750 31.293 31.823 0.367 0.000 0.636 241 V HN 0.503 nan 8.190 nan 0.000 0.445 242 M N -0.512 119.212 119.600 0.207 0.000 2.260 242 M HA -0.222 4.257 4.480 -0.001 0.000 0.261 242 M C 1.811 178.136 176.300 0.041 0.000 1.066 242 M CA 1.716 57.101 55.300 0.142 0.000 1.082 242 M CB -0.741 31.971 32.600 0.188 0.000 1.388 242 M HN 0.380 nan 8.290 nan 0.000 0.419 243 D N 0.033 120.435 120.400 0.003 0.000 2.123 243 D HA -0.067 4.573 4.640 -0.001 0.000 0.200 243 D C 2.129 178.353 176.300 -0.127 0.000 0.976 243 D CA 0.924 54.894 54.000 -0.051 0.000 0.831 243 D CB -0.174 40.605 40.800 -0.035 0.000 0.974 243 D HN 0.143 nan 8.370 nan 0.000 0.469 244 R N 0.565 120.914 120.500 -0.251 0.000 2.189 244 R HA 0.066 4.405 4.340 -0.001 0.000 0.223 244 R C 1.573 177.810 176.300 -0.105 0.000 1.092 244 R CA 0.604 56.558 56.100 -0.242 0.000 0.989 244 R CB -0.474 29.625 30.300 -0.335 0.000 0.876 244 R HN 0.084 nan 8.270 nan 0.000 0.457 245 A N 0.426 123.203 122.820 -0.071 0.000 2.307 245 A HA 0.032 4.351 4.320 -0.001 0.000 0.218 245 A C 0.295 177.856 177.584 -0.038 0.000 1.228 245 A CA -0.187 51.820 52.037 -0.050 0.000 0.857 245 A CB -0.041 18.933 19.000 -0.043 0.000 0.897 245 A HN 0.334 nan 8.150 nan 0.000 0.495 246 Q N -1.414 118.365 119.800 -0.035 0.000 2.435 246 Q HA -0.213 4.126 4.340 -0.001 0.000 0.312 246 Q C 0.020 176.015 176.000 -0.009 0.000 1.333 246 Q CA 0.818 56.609 55.803 -0.020 0.000 0.883 246 Q CB -1.429 27.296 28.738 -0.022 0.000 1.170 246 Q HN 0.826 nan 8.270 nan 0.000 0.443 247 M N 1.218 120.820 119.600 0.003 0.000 2.184 247 M HA 0.099 4.578 4.480 -0.001 0.000 0.351 247 M C 0.054 176.367 176.300 0.022 0.000 1.395 247 M CA -0.180 55.131 55.300 0.017 0.000 1.117 247 M CB 0.542 33.169 32.600 0.044 0.000 1.708 247 M HN 0.096 nan 8.290 nan 0.000 0.468 248 D N 3.973 124.385 120.400 0.020 0.000 2.531 248 D HA -0.041 4.599 4.640 -0.001 0.000 0.239 248 D C 0.941 177.261 176.300 0.033 0.000 1.144 248 D CA 0.390 54.405 54.000 0.025 0.000 0.869 248 D CB 0.648 41.461 40.800 0.023 0.000 1.160 248 D HN 0.715 nan 8.370 nan 0.000 0.484 249 L N 2.630 123.871 121.223 0.029 0.000 2.043 249 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 249 L C 2.268 179.163 176.870 0.041 0.000 1.075 249 L CA 1.117 55.969 54.840 0.020 0.000 0.752 249 L CB -0.362 41.700 42.059 0.004 0.000 0.891 249 L HN 0.407 nan 8.230 nan 0.000 0.432 250 S N -0.320 115.412 115.700 0.053 0.000 2.500 250 S HA -0.087 4.382 4.470 -0.001 0.000 0.239 250 S C 1.782 176.425 174.600 0.071 0.000 0.989 250 S CA 0.938 59.178 58.200 0.067 0.000 0.951 250 S CB -0.235 63.003 63.200 0.064 0.000 0.759 250 S HN 0.640 nan 8.310 nan 0.000 0.523 251 G N 1.213 110.053 108.800 0.066 0.000 2.662 251 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.212 251 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.212 251 G C 1.135 176.100 174.900 0.109 0.000 1.141 251 G CA -0.418 44.730 45.100 0.080 0.000 0.797 251 G HN 0.393 nan 8.290 nan 0.000 0.531 252 R N 0.682 121.239 120.500 0.095 0.000 2.366 252 R HA 0.045 4.384 4.340 -0.001 0.000 0.201 252 R C 1.672 178.019 176.300 0.078 0.000 1.057 252 R CA 0.447 56.610 56.100 0.105 0.000 1.086 252 R CB 0.034 30.365 30.300 0.053 0.000 0.914 252 R HN 0.278 nan 8.270 nan 0.000 0.476 253 G N -0.109 108.753 108.800 0.103 0.000 3.596 253 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.274 253 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.274 253 G C -0.269 174.787 174.900 0.261 0.000 1.007 253 G CA -0.285 44.847 45.100 0.053 0.000 0.825 253 G HN 0.058 nan 8.290 nan 0.000 0.508 254 N N 0.810 119.697 118.700 0.311 0.000 2.479 254 N HA 0.355 5.094 4.740 -0.001 0.000 0.261 254 N C -1.883 173.788 175.510 0.268 0.000 0.979 254 N CA -2.094 51.118 53.050 0.269 0.000 0.930 254 N CB 2.855 41.441 38.487 0.165 0.000 1.172 254 N HN -0.222 nan 8.380 nan 0.000 0.499 255 P HA -0.104 nan 4.420 nan 0.000 0.216 255 P C 1.479 178.800 177.300 0.034 0.000 1.153 255 P CA 1.200 64.267 63.100 -0.056 0.000 0.858 255 P CB 0.415 32.018 31.700 -0.162 0.000 0.789 256 I N -0.553 120.058 120.570 0.067 0.000 2.127 256 I HA -0.271 3.898 4.170 -0.001 0.000 0.241 256 I C 2.490 178.641 176.117 0.057 0.000 1.075 256 I CA 1.720 63.075 61.300 0.091 0.000 1.334 256 I CB -0.700 37.389 38.000 0.148 0.000 1.040 256 I HN -0.041 nan 8.210 nan 0.000 0.405 257 K N 1.023 121.465 120.400 0.071 0.000 2.097 257 K HA -0.096 4.223 4.320 -0.001 0.000 0.205 257 K C 2.115 178.760 176.600 0.075 0.000 1.050 257 K CA 0.884 57.193 56.287 0.038 0.000 0.938 257 K CB 0.080 32.616 32.500 0.059 0.000 0.718 257 K HN 0.055 nan 8.250 nan 0.000 0.442 258 V N 1.180 121.186 119.914 0.152 0.000 2.332 258 V HA -0.264 3.856 4.120 -0.001 0.000 0.248 258 V C 2.093 178.340 176.094 0.254 0.000 1.055 258 V CA 2.284 64.727 62.300 0.239 0.000 1.038 258 V CB -0.287 31.713 31.823 0.295 0.000 0.651 258 V HN 0.480 nan 8.190 nan 0.000 0.450 259 S N -0.123 115.696 115.700 0.197 0.000 2.446 259 S HA -0.092 4.378 4.470 -0.001 0.000 0.225 259 S C 1.919 176.574 174.600 0.092 0.000 1.016 259 S CA 0.709 59.070 58.200 0.268 0.000 0.943 259 S CB -0.245 63.121 63.200 0.276 0.000 0.786 259 S HN 0.478 nan 8.310 nan 0.000 0.508 260 R N 1.951 122.425 120.500 -0.044 0.000 2.066 260 R HA 0.095 4.434 4.340 -0.001 0.000 0.232 260 R C 1.994 178.181 176.300 -0.189 0.000 1.131 260 R CA 1.584 57.553 56.100 -0.219 0.000 0.955 260 R CB -1.139 28.916 30.300 -0.409 0.000 0.851 260 R HN 0.297 nan 8.270 nan 0.000 0.432 261 V N -0.046 119.800 119.914 -0.113 0.000 2.323 261 V HA -0.020 4.099 4.120 -0.001 0.000 0.244 261 V C 2.265 178.297 176.094 -0.103 0.000 1.041 261 V CA 1.975 64.212 62.300 -0.105 0.000 1.025 261 V CB -1.006 30.791 31.823 -0.043 0.000 0.656 261 V HN 0.630 nan 8.190 nan 0.000 0.451 262 G N 0.494 109.274 108.800 -0.034 0.000 2.422 262 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.218 262 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.218 262 G C 1.825 176.592 174.900 -0.222 0.000 1.146 262 G CA 1.372 46.377 45.100 -0.158 0.000 0.769 262 G HN 0.628 nan 8.290 nan 0.000 0.547 263 S N 1.284 116.819 115.700 -0.275 0.000 2.383 263 S HA 0.129 4.599 4.470 -0.001 0.000 0.227 263 S C 2.580 176.919 174.600 -0.435 0.000 1.026 263 S CA 1.268 59.056 58.200 -0.687 0.000 0.981 263 S CB -0.462 62.298 63.200 -0.733 0.000 0.818 263 S HN 0.555 nan 8.310 nan 0.000 0.472 264 A N 1.550 124.182 122.820 -0.312 0.000 2.070 264 A HA 0.128 4.447 4.320 -0.001 0.000 0.220 264 A C 2.136 179.580 177.584 -0.233 0.000 1.159 264 A CA 1.265 53.145 52.037 -0.262 0.000 0.656 264 A CB -0.579 18.260 19.000 -0.269 0.000 0.800 264 A HN 0.464 nan 8.150 nan 0.000 0.453 265 M N -0.649 118.809 119.600 -0.236 0.000 2.506 265 M HA 0.013 4.492 4.480 -0.001 0.000 0.260 265 M C 1.930 178.082 176.300 -0.247 0.000 1.104 265 M CA 0.706 55.882 55.300 -0.207 0.000 1.112 265 M CB -0.669 31.823 32.600 -0.180 0.000 1.401 265 M HN 0.250 nan 8.290 nan 0.000 0.473 266 V N 0.532 120.271 119.914 -0.292 0.000 2.358 266 V HA -0.172 3.948 4.120 -0.001 0.000 0.246 266 V C 1.278 177.142 176.094 -0.385 0.000 1.047 266 V CA 1.091 63.214 62.300 -0.294 0.000 1.035 266 V CB -0.687 30.969 31.823 -0.279 0.000 0.658 266 V HN 0.537 nan 8.190 nan 0.000 0.452 267 N N 0.972 119.388 118.700 -0.473 0.000 2.462 267 N HA 0.341 5.081 4.740 -0.001 0.000 0.242 267 N C 0.042 175.417 175.510 -0.226 0.000 1.010 267 N CA -0.118 52.631 53.050 -0.501 0.000 0.939 267 N CB 0.908 39.068 38.487 -0.544 0.000 1.127 267 N HN 0.359 nan 8.380 nan 0.000 0.509 268 A N 4.345 127.082 122.820 -0.139 0.000 2.618 268 A HA -0.029 4.290 4.320 -0.001 0.000 0.293 268 A C 0.511 178.089 177.584 -0.010 0.000 1.413 268 A CA 0.195 52.199 52.037 -0.056 0.000 1.074 268 A CB -0.183 18.811 19.000 -0.010 0.000 1.087 268 A HN 0.584 nan 8.150 nan 0.000 0.553 269 K N 2.858 123.250 120.400 -0.014 0.000 2.312 269 K HA 0.198 4.517 4.320 -0.001 0.000 0.287 269 K C 0.474 177.089 176.600 0.025 0.000 1.062 269 K CA 0.582 56.879 56.287 0.015 0.000 0.934 269 K CB 0.376 32.897 32.500 0.034 0.000 1.027 269 K HN 0.931 nan 8.250 nan 0.000 0.478 270 D N 3.138 123.559 120.400 0.035 0.000 4.486 270 D HA -0.303 4.336 4.640 -0.001 0.000 0.134 270 D C -0.655 175.673 176.300 0.046 0.000 0.739 270 D CA 2.511 56.534 54.000 0.039 0.000 1.119 270 D CB -1.028 39.790 40.800 0.031 0.000 0.594 270 D HN 0.810 nan 8.370 nan 0.000 0.569 271 D N -0.687 119.739 120.400 0.043 0.000 2.992 271 D HA 0.346 4.985 4.640 -0.001 0.000 0.372 271 D C 0.551 176.886 176.300 0.058 0.000 1.374 271 D CA -0.445 53.589 54.000 0.056 0.000 0.769 271 D CB 0.920 41.756 40.800 0.061 0.000 1.215 271 D HN 0.226 nan 8.370 nan 0.000 0.473 272 E N 0.719 120.941 120.200 0.036 0.000 2.110 272 E HA 0.236 4.586 4.350 -0.001 0.000 0.194 272 E C 1.375 177.987 176.600 0.020 0.000 0.944 272 E CA 0.749 57.167 56.400 0.030 0.000 0.899 272 E CB -0.510 29.190 29.700 0.000 0.000 0.907 272 E HN 0.326 nan 8.360 nan 0.000 0.473 273 G N 0.702 109.473 108.800 -0.049 0.000 2.661 273 G HA2 0.095 4.054 3.960 -0.001 0.000 0.272 273 G HA3 0.095 4.054 3.960 -0.001 0.000 0.272 273 G C 1.198 175.933 174.900 -0.274 0.000 1.296 273 G CA 0.266 45.279 45.100 -0.145 0.000 0.998 273 G HN 0.094 nan 8.290 nan 0.000 0.553 274 V N -0.384 119.256 119.914 -0.456 0.000 2.323 274 V HA 0.071 4.190 4.120 -0.001 0.000 0.244 274 V C 1.150 177.047 176.094 -0.328 0.000 1.041 274 V CA 1.289 63.165 62.300 -0.708 0.000 1.025 274 V CB -0.739 30.759 31.823 -0.541 0.000 0.656 274 V HN 0.301 nan 8.190 nan 0.000 0.451 275 L N -0.771 120.370 121.223 -0.138 0.000 2.370 275 L HA 0.520 4.859 4.340 -0.001 0.000 0.266 275 L C -1.014 175.927 176.870 0.119 0.000 1.002 275 L CA -0.595 54.268 54.840 0.038 0.000 0.818 275 L CB 2.554 44.740 42.059 0.212 0.000 1.325 275 L HN -0.152 nan 8.230 nan 0.000 0.418 276 V N 1.648 121.666 119.914 0.173 0.000 2.383 276 V HA 0.457 4.577 4.120 -0.001 0.000 0.275 276 V C 0.686 177.017 176.094 0.395 0.000 1.036 276 V CA -0.512 61.935 62.300 0.245 0.000 0.889 276 V CB 1.119 33.085 31.823 0.239 0.000 0.985 276 V HN 0.843 nan 8.190 nan 0.000 0.459 277 G N 2.930 111.983 108.800 0.421 0.000 2.395 277 G HA2 0.519 4.478 3.960 -0.001 0.000 0.283 277 G HA3 0.519 4.478 3.960 -0.001 0.000 0.283 277 G C -0.377 174.740 174.900 0.361 0.000 1.178 277 G CA -0.208 45.163 45.100 0.452 0.000 0.837 277 G HN 0.729 nan 8.290 nan 0.000 0.518 278 S N 0.802 116.556 115.700 0.090 0.000 2.562 278 S HA 0.440 4.909 4.470 -0.001 0.000 0.274 278 S C -0.826 173.831 174.600 0.096 0.000 1.160 278 S CA -0.724 57.571 58.200 0.157 0.000 0.933 278 S CB 0.755 63.877 63.200 -0.131 0.000 1.100 278 S HN 0.663 nan 8.310 nan 0.000 0.468 279 W N 3.241 124.545 121.300 0.008 0.000 2.693 279 W HA 0.163 4.822 4.660 -0.001 0.000 0.415 279 W C 0.643 177.010 176.519 -0.255 0.000 0.932 279 W CA -0.326 56.988 57.345 -0.053 0.000 2.200 279 W CB 0.513 29.811 29.460 -0.270 0.000 1.188 279 W HN 0.853 nan 8.180 nan 0.000 0.665 280 D N -0.795 119.517 120.400 -0.147 0.000 2.355 280 D HA -0.135 4.504 4.640 -0.001 0.000 0.218 280 D C 0.883 177.035 176.300 -0.246 0.000 1.004 280 D CA 0.384 54.234 54.000 -0.250 0.000 0.880 280 D CB -0.236 40.395 40.800 -0.280 0.000 0.911 280 D HN 0.173 nan 8.370 nan 0.000 0.528 281 N N -1.667 116.801 118.700 -0.385 0.000 2.900 281 N HA -0.183 4.557 4.740 -0.001 0.000 0.240 281 N C 0.381 175.704 175.510 -0.310 0.000 0.953 281 N CA 1.276 54.271 53.050 -0.091 0.000 0.950 281 N CB -0.742 37.873 38.487 0.213 0.000 1.102 281 N HN 0.221 nan 8.380 nan 0.000 0.593 282 I N -1.714 118.454 120.570 -0.669 0.000 2.962 282 I HA 0.097 4.266 4.170 -0.001 0.000 0.246 282 I C 0.299 176.244 176.117 -0.286 0.000 1.091 282 I CA 1.163 62.264 61.300 -0.331 0.000 1.469 282 I CB -0.963 36.908 38.000 -0.214 0.000 1.324 282 I HN 0.204 nan 8.210 nan 0.000 0.461 283 Y N 0.939 121.177 120.300 -0.102 0.000 3.059 283 Y HA -0.147 4.402 4.550 -0.001 0.000 0.171 283 Y C 1.547 177.517 175.900 0.117 0.000 1.717 283 Y CA 0.075 58.083 58.100 -0.152 0.000 1.069 283 Y CB -2.171 36.285 38.460 -0.007 0.000 1.470 283 Y HN 0.264 nan 8.280 nan 0.000 0.414 284 A N 0.026 122.930 122.820 0.141 0.000 1.870 284 A HA -0.240 4.079 4.320 -0.001 0.000 0.219 284 A C 0.864 178.544 177.584 0.159 0.000 1.286 284 A CA 2.499 54.649 52.037 0.188 0.000 0.682 284 A CB -0.511 18.643 19.000 0.256 0.000 0.844 284 A HN 0.683 nan 8.150 nan 0.000 0.460 285 Y N -1.037 119.467 120.300 0.340 0.000 2.495 285 Y HA 0.505 5.054 4.550 -0.001 0.000 0.362 285 Y C 0.612 176.570 175.900 0.095 0.000 0.956 285 Y CA 0.264 58.481 58.100 0.196 0.000 1.127 285 Y CB 0.933 39.471 38.460 0.130 0.000 1.173 285 Y HN 0.615 nan 8.280 nan 0.000 0.639 286 G N -0.712 108.200 108.800 0.186 0.000 2.548 286 G HA2 0.472 4.432 3.960 -0.001 0.000 0.301 286 G HA3 0.472 4.432 3.960 -0.001 0.000 0.301 286 G C -1.930 172.977 174.900 0.010 0.000 1.349 286 G CA -0.717 44.330 45.100 -0.088 0.000 0.792 286 G HN -0.065 nan 8.290 nan 0.000 0.481 287 V N 1.644 121.480 119.914 -0.131 0.000 2.509 287 V HA 0.415 4.534 4.120 -0.001 0.000 0.284 287 V C -2.007 173.931 176.094 -0.260 0.000 1.047 287 V CA -1.273 60.815 62.300 -0.354 0.000 0.952 287 V CB 1.726 32.986 31.823 -0.939 0.000 0.988 287 V HN 0.493 nan 8.190 nan 0.000 0.469 288 P HA 0.203 nan 4.420 nan 0.000 0.271 288 P C -2.157 174.860 177.300 -0.471 0.000 1.220 288 P CA -1.317 61.468 63.100 -0.525 0.000 0.768 288 P CB 0.334 31.811 31.700 -0.371 0.000 0.848 289 P HA -0.168 nan 4.420 nan 0.000 0.219 289 P C 0.944 178.361 177.300 0.194 0.000 1.144 289 P CA 1.658 64.711 63.100 -0.079 0.000 0.806 289 P CB -0.131 31.326 31.700 -0.405 0.000 0.771 290 S N -1.495 114.333 115.700 0.213 0.000 2.522 290 S HA 0.069 4.538 4.470 -0.001 0.000 0.227 290 S C 1.813 176.539 174.600 0.210 0.000 0.986 290 S CA 0.850 59.331 58.200 0.469 0.000 0.929 290 S CB -0.438 63.017 63.200 0.424 0.000 0.769 290 S HN 0.166 nan 8.310 nan 0.000 0.529 291 A N 0.511 123.247 122.820 -0.139 0.000 1.956 291 A HA 0.177 4.496 4.320 -0.001 0.000 0.212 291 A C 0.333 177.646 177.584 -0.452 0.000 1.188 291 A CA -0.382 51.404 52.037 -0.417 0.000 0.675 291 A CB -0.513 18.081 19.000 -0.677 0.000 0.845 291 A HN 0.546 nan 8.150 nan 0.000 0.455 292 W N 1.427 122.632 121.300 -0.159 0.000 2.409 292 W HA 0.099 4.758 4.660 -0.002 0.000 0.338 292 W C 1.503 177.900 176.519 -0.203 0.000 1.273 292 W CA 0.586 57.824 57.345 -0.177 0.000 1.299 292 W CB 0.374 29.821 29.460 -0.021 0.000 1.192 292 W HN 0.354 nan 8.180 nan 0.000 0.565 293 T N 0.459 114.952 114.554 -0.102 0.000 3.039 293 T HA 0.415 4.764 4.350 -0.001 0.000 0.250 293 T C 0.754 174.994 174.700 -0.766 0.000 1.052 293 T CA 0.524 62.478 62.100 -0.243 0.000 1.125 293 T CB 0.285 69.105 68.868 -0.079 0.000 0.908 293 T HN 0.569 nan 8.240 nan 0.000 0.473 294 G N 0.035 108.273 108.800 -0.937 0.000 2.600 294 G HA2 0.466 4.425 3.960 -0.001 0.000 0.293 294 G HA3 0.466 4.425 3.960 -0.001 0.000 0.293 294 G C 0.163 174.602 174.900 -0.768 0.000 1.408 294 G CA -0.058 44.229 45.100 -1.354 0.000 0.782 294 G HN -0.043 nan 8.290 nan 0.000 0.482 295 S N -0.796 114.707 115.700 -0.328 0.000 2.436 295 S HA -0.053 4.416 4.470 -0.001 0.000 0.228 295 S C 2.523 177.121 174.600 -0.004 0.000 1.014 295 S CA 0.964 59.184 58.200 0.033 0.000 0.950 295 S CB -0.028 63.340 63.200 0.280 0.000 0.784 295 S HN 0.408 nan 8.310 nan 0.000 0.504 296 V N 2.676 122.582 119.914 -0.013 0.000 2.250 296 V HA -0.280 3.839 4.120 -0.001 0.000 0.250 296 V C 2.394 178.511 176.094 0.039 0.000 1.060 296 V CA 2.184 64.503 62.300 0.033 0.000 1.030 296 V CB -0.730 31.118 31.823 0.042 0.000 0.643 296 V HN 0.364 nan 8.190 nan 0.000 0.445 297 D N -0.221 120.201 120.400 0.036 0.000 2.108 297 D HA -0.178 4.461 4.640 -0.001 0.000 0.190 297 D C 1.993 178.317 176.300 0.039 0.000 0.995 297 D CA 1.888 55.945 54.000 0.096 0.000 0.834 297 D CB -0.339 40.596 40.800 0.225 0.000 0.967 297 D HN 0.419 nan 8.370 nan 0.000 0.446 298 I N 0.383 120.866 120.570 -0.145 0.000 2.069 298 I HA -0.301 3.868 4.170 -0.001 0.000 0.237 298 I C 2.645 178.751 176.117 -0.018 0.000 1.053 298 I CA 0.864 61.999 61.300 -0.275 0.000 1.311 298 I CB -0.359 37.339 38.000 -0.504 0.000 1.030 298 I HN 0.062 nan 8.210 nan 0.000 0.398 299 L N 0.093 121.337 121.223 0.036 0.000 2.043 299 L HA -0.274 4.065 4.340 -0.001 0.000 0.212 299 L C 2.565 179.531 176.870 0.160 0.000 1.075 299 L CA 1.546 56.480 54.840 0.158 0.000 0.752 299 L CB -0.508 41.647 42.059 0.161 0.000 0.891 299 L HN 0.332 nan 8.230 nan 0.000 0.432 300 L N -1.140 120.139 121.223 0.094 0.000 2.023 300 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 300 L C 2.724 179.623 176.870 0.047 0.000 1.073 300 L CA 0.834 55.708 54.840 0.056 0.000 0.745 300 L CB -0.589 41.497 42.059 0.046 0.000 0.900 300 L HN 0.223 nan 8.230 nan 0.000 0.435 301 E N -0.002 120.244 120.200 0.077 0.000 2.136 301 E HA -0.311 4.039 4.350 -0.001 0.000 0.202 301 E C 2.009 178.672 176.600 0.106 0.000 1.019 301 E CA 1.825 58.278 56.400 0.088 0.000 0.819 301 E CB -0.348 29.426 29.700 0.123 0.000 0.739 301 E HN 0.478 nan 8.360 nan 0.000 0.458 302 Y N 1.193 121.506 120.300 0.021 0.000 2.224 302 Y HA -0.129 4.420 4.550 -0.002 0.000 0.289 302 Y C 2.383 178.311 175.900 0.047 0.000 1.146 302 Y CA 2.064 60.196 58.100 0.053 0.000 1.182 302 Y CB -0.321 38.184 38.460 0.076 0.000 0.983 302 Y HN -0.061 nan 8.280 nan 0.000 0.524 303 R N -0.396 119.928 120.500 -0.294 0.000 2.148 303 R HA -0.082 4.257 4.340 -0.001 0.000 0.227 303 R C 1.821 177.862 176.300 -0.433 0.000 1.103 303 R CA 1.446 57.189 56.100 -0.595 0.000 0.983 303 R CB -0.065 29.978 30.300 -0.429 0.000 0.874 303 R HN 0.374 nan 8.270 nan 0.000 0.451 304 S N -0.408 115.165 115.700 -0.212 0.000 2.441 304 S HA -0.056 4.413 4.470 -0.001 0.000 0.224 304 S C 1.871 176.418 174.600 -0.089 0.000 1.043 304 S CA 0.808 58.930 58.200 -0.130 0.000 0.948 304 S CB 0.377 63.541 63.200 -0.061 0.000 0.810 304 S HN 0.491 nan 8.310 nan 0.000 0.504 305 S N 1.491 117.157 115.700 -0.057 0.000 2.377 305 S HA 0.009 4.478 4.470 -0.001 0.000 0.223 305 S C 0.688 175.282 174.600 -0.011 0.000 1.030 305 S CA 0.798 58.998 58.200 -0.000 0.000 0.970 305 S CB -0.435 62.805 63.200 0.067 0.000 0.830 305 S HN 0.501 nan 8.310 nan 0.000 0.473 306 E N 0.346 120.495 120.200 -0.085 0.000 3.628 306 E HA -0.172 4.177 4.350 -0.001 0.000 0.309 306 E C -0.786 175.879 176.600 0.107 0.000 0.839 306 E CA 0.705 57.084 56.400 -0.036 0.000 1.123 306 E CB -2.178 27.546 29.700 0.040 0.000 1.568 306 E HN 0.772 nan 8.360 nan 0.000 0.440 307 N N 0.021 118.830 118.700 0.183 0.000 2.321 307 N HA 0.379 5.118 4.740 -0.001 0.000 0.290 307 N C -2.946 172.769 175.510 0.342 0.000 1.212 307 N CA -2.022 51.168 53.050 0.233 0.000 0.767 307 N CB 2.057 40.624 38.487 0.134 0.000 1.494 307 N HN -0.242 nan 8.380 nan 0.000 0.479 308 P HA -0.055 nan 4.420 nan 0.000 0.266 308 P C -0.874 176.491 177.300 0.109 0.000 1.186 308 P CA 0.129 63.301 63.100 0.120 0.000 0.767 308 P CB 0.577 32.321 31.700 0.073 0.000 0.820 309 V N 4.680 124.624 119.914 0.050 0.000 2.472 309 V HA 0.360 4.479 4.120 -0.001 0.000 0.290 309 V C 0.606 176.702 176.094 0.003 0.000 1.037 309 V CA -0.324 62.002 62.300 0.044 0.000 0.908 309 V CB 1.295 33.113 31.823 -0.009 0.000 0.985 309 V HN 0.453 nan 8.190 nan 0.000 0.454 310 R N 3.485 123.941 120.500 -0.075 0.000 2.514 310 R HA 0.693 5.032 4.340 -0.001 0.000 0.301 310 R C -1.634 174.591 176.300 -0.125 0.000 0.962 310 R CA -0.502 55.338 56.100 -0.434 0.000 0.882 310 R CB 1.670 31.259 30.300 -1.185 0.000 1.143 310 R HN 0.608 nan 8.270 nan 0.000 0.452 311 Y N -0.477 120.029 120.300 0.344 0.000 2.634 311 Y HA 0.759 5.308 4.550 -0.002 0.000 0.340 311 Y C 0.596 176.555 175.900 0.099 0.000 1.058 311 Y CA -0.873 57.332 58.100 0.175 0.000 1.081 311 Y CB 2.671 41.189 38.460 0.097 0.000 1.295 311 Y HN 0.732 nan 8.280 nan 0.000 0.487 312 G N 0.106 108.925 108.800 0.032 0.000 2.690 312 G HA2 0.698 4.657 3.960 -0.001 0.000 0.291 312 G HA3 0.698 4.657 3.960 -0.001 0.000 0.291 312 G C -1.884 172.435 174.900 -0.968 0.000 1.403 312 G CA -0.748 44.057 45.100 -0.491 0.000 0.864 312 G HN 0.453 nan 8.290 nan 0.000 0.480 313 Q N -1.269 117.694 119.800 -1.396 0.000 2.615 313 Q HA 0.274 4.613 4.340 -0.001 0.000 0.298 313 Q C 1.594 177.037 176.000 -0.928 0.000 1.023 313 Q CA -0.451 54.601 55.803 -1.252 0.000 0.768 313 Q CB 2.109 30.210 28.738 -1.061 0.000 1.500 313 Q HN 0.953 nan 8.270 nan 0.000 0.441 314 C N -0.630 118.714 119.300 0.073 0.000 2.397 314 C HA -0.178 4.282 4.460 -0.001 0.000 0.279 314 C C 1.908 176.906 174.990 0.015 0.000 1.206 314 C CA 1.638 60.814 59.018 0.264 0.000 1.818 314 C CB -1.497 26.657 27.740 0.690 0.000 2.087 314 C HN 0.970 nan 8.230 nan 0.000 0.488 315 W N 1.070 122.289 121.300 -0.135 0.000 2.576 315 W HA 0.340 4.999 4.660 -0.001 0.000 0.270 315 W C 1.816 178.055 176.519 -0.467 0.000 1.255 315 W CA 0.769 57.956 57.345 -0.264 0.000 1.314 315 W CB -0.907 28.396 29.460 -0.263 0.000 1.101 315 W HN 0.121 nan 8.180 nan 0.000 0.595 316 V N 1.474 120.674 119.914 -1.191 0.000 2.379 316 V HA -0.267 3.853 4.120 -0.001 0.000 0.245 316 V C 2.230 178.053 176.094 -0.451 0.000 1.044 316 V CA 1.736 63.508 62.300 -0.880 0.000 1.036 316 V CB -1.038 30.256 31.823 -0.883 0.000 0.664 316 V HN 0.074 nan 8.190 nan 0.000 0.453 317 F N 1.129 120.933 119.950 -0.244 0.000 2.146 317 F HA -0.049 4.477 4.527 -0.001 0.000 0.298 317 F C 2.467 178.252 175.800 -0.024 0.000 1.096 317 F CA 0.938 58.873 58.000 -0.108 0.000 1.275 317 F CB -1.490 37.467 39.000 -0.072 0.000 1.008 317 F HN 0.113 nan 8.300 nan 0.000 0.480 318 A N 0.330 123.205 122.820 0.091 0.000 1.969 318 A HA 0.044 4.364 4.320 -0.001 0.000 0.218 318 A C 2.565 180.174 177.584 0.042 0.000 1.169 318 A CA 1.584 53.689 52.037 0.114 0.000 0.635 318 A CB -1.486 17.544 19.000 0.051 0.000 0.810 318 A HN 0.388 nan 8.150 nan 0.000 0.445 319 G N -0.273 108.410 108.800 -0.196 0.000 2.524 319 G HA2 -0.135 3.825 3.960 -0.001 0.000 0.215 319 G HA3 -0.135 3.825 3.960 -0.001 0.000 0.215 319 G C 1.464 176.530 174.900 0.277 0.000 1.239 319 G CA 1.288 46.250 45.100 -0.230 0.000 0.798 319 G HN 0.310 nan 8.290 nan 0.000 0.557 320 V N 0.461 120.547 119.914 0.286 0.000 2.546 320 V HA -0.167 3.952 4.120 -0.001 0.000 0.254 320 V C 2.349 178.617 176.094 0.289 0.000 1.076 320 V CA 1.778 64.249 62.300 0.285 0.000 1.087 320 V CB -0.580 31.345 31.823 0.169 0.000 0.674 320 V HN 0.354 nan 8.190 nan 0.000 0.470 321 F N 0.871 120.888 119.950 0.112 0.000 2.293 321 F HA -0.029 4.497 4.527 -0.001 0.000 0.297 321 F C 2.176 178.067 175.800 0.152 0.000 1.089 321 F CA 1.516 59.572 58.000 0.093 0.000 1.377 321 F CB -0.454 38.568 39.000 0.038 0.000 1.051 321 F HN 0.155 nan 8.300 nan 0.000 0.511 322 N N -0.707 118.000 118.700 0.012 0.000 2.142 322 N HA -0.170 4.569 4.740 -0.001 0.000 0.186 322 N C 1.607 176.992 175.510 -0.208 0.000 1.023 322 N CA 1.761 54.688 53.050 -0.205 0.000 0.852 322 N CB -0.018 38.248 38.487 -0.370 0.000 0.998 322 N HN 0.241 nan 8.380 nan 0.000 0.424 323 T N 0.802 115.360 114.554 0.006 0.000 2.652 323 T HA -0.172 4.177 4.350 -0.001 0.000 0.267 323 T C 1.532 176.258 174.700 0.042 0.000 1.039 323 T CA 1.263 63.414 62.100 0.085 0.000 1.153 323 T CB -0.594 68.418 68.868 0.241 0.000 0.863 323 T HN 0.284 nan 8.240 nan 0.000 0.428 324 F N 1.705 121.616 119.950 -0.064 0.000 2.043 324 F HA -0.145 4.381 4.527 -0.001 0.000 0.297 324 F C 2.062 177.778 175.800 -0.139 0.000 1.121 324 F CA 1.401 59.359 58.000 -0.070 0.000 1.199 324 F CB -0.557 38.398 39.000 -0.075 0.000 0.968 324 F HN 0.045 nan 8.300 nan 0.000 0.478 325 L N 0.029 121.191 121.223 -0.101 0.000 1.990 325 L HA -0.272 4.067 4.340 -0.001 0.000 0.213 325 L C 2.735 179.512 176.870 -0.155 0.000 1.072 325 L CA 1.938 56.659 54.840 -0.199 0.000 0.755 325 L CB -0.736 41.159 42.059 -0.273 0.000 0.889 325 L HN 0.142 nan 8.230 nan 0.000 0.432 326 R N -1.033 119.391 120.500 -0.127 0.000 2.096 326 R HA -0.188 4.151 4.340 -0.001 0.000 0.235 326 R C 2.454 178.735 176.300 -0.031 0.000 1.127 326 R CA 1.543 57.605 56.100 -0.064 0.000 0.968 326 R CB -0.847 29.395 30.300 -0.098 0.000 0.861 326 R HN 0.481 nan 8.270 nan 0.000 0.440 327 C N 0.890 120.141 119.300 -0.081 0.000 2.413 327 C HA -0.040 4.419 4.460 -0.001 0.000 0.277 327 C C 2.317 177.378 174.990 0.118 0.000 1.265 327 C CA 0.708 59.727 59.018 0.002 0.000 1.752 327 C CB -0.876 26.852 27.740 -0.021 0.000 1.998 327 C HN 0.446 nan 8.230 nan 0.000 0.489 328 L N 0.208 121.428 121.223 -0.004 0.000 2.395 328 L HA 0.214 4.553 4.340 -0.001 0.000 0.218 328 L C 1.966 179.005 176.870 0.282 0.000 1.130 328 L CA 1.201 56.097 54.840 0.094 0.000 0.826 328 L CB -0.500 41.569 42.059 0.016 0.000 0.941 328 L HN 0.636 nan 8.230 nan 0.000 0.451 329 G N 0.503 109.435 108.800 0.220 0.000 2.143 329 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.175 329 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.175 329 G C 0.044 175.036 174.900 0.153 0.000 1.004 329 G CA -0.585 44.684 45.100 0.282 0.000 0.671 329 G HN 0.196 nan 8.290 nan 0.000 0.512 330 I N 1.575 122.132 120.570 -0.023 0.000 2.315 330 I HA 0.315 4.485 4.170 -0.001 0.000 0.291 330 I C -2.135 173.960 176.117 -0.038 0.000 1.006 330 I CA -2.464 58.755 61.300 -0.135 0.000 1.265 330 I CB 1.602 39.432 38.000 -0.283 0.000 1.387 330 I HN -0.161 nan 8.210 nan 0.000 0.475 331 P HA 0.184 nan 4.420 nan 0.000 0.267 331 P C -0.816 176.531 177.300 0.078 0.000 1.205 331 P CA 0.051 63.164 63.100 0.022 0.000 0.765 331 P CB 0.784 32.408 31.700 -0.126 0.000 0.828 332 A N 3.576 126.485 122.820 0.149 0.000 2.594 332 A HA 0.821 5.140 4.320 -0.001 0.000 0.295 332 A C -0.931 176.730 177.584 0.129 0.000 1.071 332 A CA -0.755 51.408 52.037 0.209 0.000 0.685 332 A CB 1.738 20.764 19.000 0.044 0.000 1.285 332 A HN 0.630 nan 8.150 nan 0.000 0.405 333 R N 1.146 121.683 120.500 0.061 0.000 2.740 333 R HA 0.772 5.112 4.340 -0.001 0.000 0.273 333 R C -1.496 174.783 176.300 -0.035 0.000 0.998 333 R CA -0.745 55.327 56.100 -0.047 0.000 0.900 333 R CB 1.198 31.350 30.300 -0.247 0.000 1.223 333 R HN 0.522 nan 8.270 nan 0.000 0.466 334 I N 1.845 122.422 120.570 0.012 0.000 2.532 334 I HA 0.319 4.488 4.170 -0.001 0.000 0.292 334 I C -0.267 175.809 176.117 -0.070 0.000 1.014 334 I CA -0.990 60.316 61.300 0.011 0.000 1.340 334 I CB 1.785 39.813 38.000 0.047 0.000 1.422 334 I HN 0.294 nan 8.210 nan 0.000 0.528 335 V N 3.835 123.643 119.914 -0.176 0.000 2.823 335 V HA 0.427 4.546 4.120 -0.001 0.000 0.312 335 V C -0.408 175.386 176.094 -0.500 0.000 1.072 335 V CA -0.456 61.629 62.300 -0.358 0.000 0.937 335 V CB 2.383 33.913 31.823 -0.488 0.000 1.013 335 V HN 0.749 nan 8.190 nan 0.000 0.430 336 T N 3.907 118.166 114.554 -0.492 0.000 2.892 336 T HA 0.307 4.656 4.350 -0.001 0.000 0.311 336 T C -0.312 173.973 174.700 -0.692 0.000 1.033 336 T CA -0.364 61.419 62.100 -0.528 0.000 0.991 336 T CB 0.372 69.029 68.868 -0.351 0.000 0.981 336 T HN 0.721 nan 8.240 nan 0.000 0.457 337 N N 2.866 121.098 118.700 -0.780 0.000 2.455 337 N HA 0.244 4.983 4.740 -0.001 0.000 0.280 337 N C -1.159 174.140 175.510 -0.351 0.000 1.055 337 N CA -0.382 52.325 53.050 -0.571 0.000 0.961 337 N CB 0.754 38.874 38.487 -0.613 0.000 1.121 337 N HN 0.393 nan 8.380 nan 0.000 0.476 338 Y N 3.368 123.604 120.300 -0.105 0.000 2.320 338 Y HA 0.333 4.882 4.550 -0.001 0.000 0.334 338 Y C -0.394 175.482 175.900 -0.039 0.000 1.055 338 Y CA -0.253 57.765 58.100 -0.136 0.000 1.143 338 Y CB 0.477 38.763 38.460 -0.291 0.000 1.193 338 Y HN 0.450 nan 8.280 nan 0.000 0.477 339 F N 1.033 121.126 119.950 0.239 0.000 2.423 339 F HA -0.226 4.300 4.527 -0.001 0.000 0.403 339 F C 0.094 175.989 175.800 0.158 0.000 1.142 339 F CA -0.235 57.850 58.000 0.141 0.000 1.321 339 F CB -1.608 37.339 39.000 -0.089 0.000 1.934 339 F HN 0.347 nan 8.300 nan 0.000 0.782 340 S N 0.997 116.935 115.700 0.397 0.000 2.462 340 S HA 0.805 5.274 4.470 -0.001 0.000 0.294 340 S C 0.308 175.013 174.600 0.175 0.000 1.144 340 S CA 0.001 58.355 58.200 0.256 0.000 1.088 340 S CB 1.457 64.778 63.200 0.203 0.000 1.009 340 S HN 0.702 nan 8.310 nan 0.000 0.484 341 A N 3.616 126.503 122.820 0.111 0.000 3.094 341 A HA 0.347 4.667 4.320 -0.001 0.000 0.288 341 A C -0.159 177.406 177.584 -0.031 0.000 1.519 341 A CA -0.256 51.822 52.037 0.069 0.000 1.227 341 A CB -0.546 18.498 19.000 0.074 0.000 1.175 341 A HN 0.882 nan 8.150 nan 0.000 0.568 342 H N 0.845 119.693 119.070 -0.370 0.000 2.607 342 H HA 0.278 4.833 4.556 -0.001 0.000 0.367 342 H C 0.265 175.462 175.328 -0.218 0.000 1.181 342 H CA 0.493 56.227 56.048 -0.523 0.000 1.402 342 H CB 0.604 29.587 29.762 -1.299 0.000 1.474 342 H HN 0.661 nan 8.280 nan 0.000 0.596 343 D N 1.075 121.121 120.400 -0.590 0.000 2.981 343 D HA -0.239 4.401 4.640 -0.001 0.000 0.223 343 D C 0.664 176.888 176.300 -0.128 0.000 1.151 343 D CA 1.091 54.896 54.000 -0.325 0.000 0.827 343 D CB -1.656 39.040 40.800 -0.172 0.000 1.101 343 D HN 0.815 nan 8.370 nan 0.000 0.426 344 N N 0.843 119.491 118.700 -0.086 0.000 2.459 344 N HA -0.119 4.620 4.740 -0.001 0.000 0.181 344 N C 0.557 176.084 175.510 0.028 0.000 1.046 344 N CA 1.083 54.125 53.050 -0.013 0.000 0.904 344 N CB 0.080 38.565 38.487 -0.003 0.000 0.964 344 N HN 0.090 nan 8.380 nan 0.000 0.444 345 D N -0.634 119.842 120.400 0.128 0.000 2.692 345 D HA -0.295 4.344 4.640 -0.001 0.000 0.233 345 D C 0.723 177.047 176.300 0.039 0.000 1.172 345 D CA 1.049 55.184 54.000 0.225 0.000 0.636 345 D CB -1.389 39.469 40.800 0.097 0.000 1.028 345 D HN 0.713 nan 8.370 nan 0.000 0.419 346 A N -1.146 121.544 122.820 -0.217 0.000 3.721 346 A HA -0.371 3.948 4.320 -0.001 0.000 0.270 346 A C 0.927 178.414 177.584 -0.162 0.000 1.036 346 A CA 1.335 53.142 52.037 -0.383 0.000 1.102 346 A CB -1.808 16.908 19.000 -0.473 0.000 1.100 346 A HN 0.634 nan 8.150 nan 0.000 0.887 347 N N -0.551 118.102 118.700 -0.078 0.000 2.479 347 N HA 0.376 5.115 4.740 -0.001 0.000 0.257 347 N C 0.524 176.024 175.510 -0.016 0.000 1.232 347 N CA 0.556 53.580 53.050 -0.043 0.000 0.920 347 N CB 0.354 38.825 38.487 -0.026 0.000 1.105 347 N HN 0.502 nan 8.380 nan 0.000 0.444 348 L N 1.947 123.168 121.223 -0.003 0.000 2.965 348 L HA 0.244 4.583 4.340 -0.001 0.000 0.254 348 L C -0.174 176.703 176.870 0.012 0.000 1.220 348 L CA 0.126 54.985 54.840 0.032 0.000 1.023 348 L CB 0.142 42.237 42.059 0.060 0.000 1.355 348 L HN 0.357 nan 8.230 nan 0.000 0.545 349 Q N 0.552 120.345 119.800 -0.012 0.000 2.379 349 Q HA 0.566 4.905 4.340 -0.001 0.000 0.278 349 Q C -1.065 174.901 176.000 -0.056 0.000 1.068 349 Q CA -0.575 55.205 55.803 -0.038 0.000 0.816 349 Q CB 3.375 32.083 28.738 -0.049 0.000 1.387 349 Q HN 0.010 nan 8.270 nan 0.000 0.413 350 M N 1.818 121.363 119.600 -0.092 0.000 2.253 350 M HA 0.386 4.866 4.480 -0.001 0.000 0.314 350 M C -1.491 174.673 176.300 -0.226 0.000 1.019 350 M CA -0.650 54.581 55.300 -0.116 0.000 0.932 350 M CB 1.809 34.357 32.600 -0.086 0.000 1.606 350 M HN 0.567 nan 8.290 nan 0.000 0.430 351 D N 4.161 124.405 120.400 -0.260 0.000 2.274 351 D HA 0.476 5.115 4.640 -0.001 0.000 0.239 351 D C -0.352 175.568 176.300 -0.632 0.000 1.104 351 D CA -0.111 53.591 54.000 -0.497 0.000 0.840 351 D CB 1.563 42.049 40.800 -0.523 0.000 1.100 351 D HN 0.299 nan 8.370 nan 0.000 0.477 352 I N 2.676 122.807 120.570 -0.732 0.000 2.406 352 I HA 0.358 4.528 4.170 -0.001 0.000 0.290 352 I C -0.331 175.418 176.117 -0.613 0.000 0.999 352 I CA -0.690 60.280 61.300 -0.551 0.000 1.124 352 I CB 0.591 38.320 38.000 -0.451 0.000 1.289 352 I HN 0.091 nan 8.210 nan 0.000 0.441 353 F N 5.934 125.840 119.950 -0.073 0.000 2.450 353 F HA 0.603 5.129 4.527 -0.001 0.000 0.332 353 F C -0.007 175.749 175.800 -0.073 0.000 1.093 353 F CA -0.780 57.196 58.000 -0.039 0.000 1.003 353 F CB 1.448 40.436 39.000 -0.020 0.000 1.151 353 F HN 0.118 nan 8.300 nan 0.000 0.474 354 L N 2.197 123.500 121.223 0.132 0.000 2.333 354 L HA 0.483 4.822 4.340 -0.001 0.000 0.269 354 L C 0.078 176.939 176.870 -0.014 0.000 1.010 354 L CA -1.202 53.643 54.840 0.007 0.000 0.818 354 L CB 1.299 43.352 42.059 -0.011 0.000 1.306 354 L HN 0.471 nan 8.230 nan 0.000 0.430 355 E N 0.642 120.791 120.200 -0.085 0.000 2.342 355 E HA 0.147 4.496 4.350 -0.001 0.000 0.257 355 E C 0.469 177.016 176.600 -0.090 0.000 1.150 355 E CA -0.307 56.035 56.400 -0.097 0.000 0.926 355 E CB 0.820 30.435 29.700 -0.142 0.000 1.074 355 E HN 0.502 nan 8.360 nan 0.000 0.449 356 E N 0.590 120.745 120.200 -0.075 0.000 2.204 356 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 356 E C 0.830 177.398 176.600 -0.053 0.000 0.989 356 E CA 0.859 57.226 56.400 -0.055 0.000 0.824 356 E CB 0.189 29.863 29.700 -0.044 0.000 0.756 356 E HN 0.414 nan 8.360 nan 0.000 0.477 357 D N -1.237 119.115 120.400 -0.080 0.000 2.336 357 D HA -0.026 4.613 4.640 -0.001 0.000 0.229 357 D C 1.183 177.413 176.300 -0.117 0.000 1.061 357 D CA 0.828 54.793 54.000 -0.059 0.000 0.875 357 D CB 0.533 41.305 40.800 -0.046 0.000 0.904 357 D HN 0.265 nan 8.370 nan 0.000 0.525 358 G N 0.330 109.029 108.800 -0.168 0.000 2.194 358 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.236 358 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.236 358 G C 0.241 174.880 174.900 -0.434 0.000 0.987 358 G CA -0.258 44.729 45.100 -0.188 0.000 0.635 358 G HN 0.372 nan 8.290 nan 0.000 0.520 359 N N 0.111 118.422 118.700 -0.648 0.000 2.467 359 N HA 0.396 5.136 4.740 -0.001 0.000 0.262 359 N C 0.426 175.761 175.510 -0.291 0.000 1.234 359 N CA -0.140 52.563 53.050 -0.578 0.000 0.952 359 N CB 1.583 39.739 38.487 -0.551 0.000 1.158 359 N HN 0.069 nan 8.380 nan 0.000 0.463 360 V N 2.510 122.276 119.914 -0.247 0.000 2.572 360 V HA -0.040 4.079 4.120 -0.001 0.000 0.291 360 V C 0.749 176.756 176.094 -0.145 0.000 1.039 360 V CA -0.314 61.842 62.300 -0.239 0.000 1.055 360 V CB 0.521 32.090 31.823 -0.424 0.000 0.969 360 V HN 0.532 nan 8.190 nan 0.000 0.482 361 N N 3.866 122.521 118.700 -0.074 0.000 2.739 361 N HA 0.051 4.790 4.740 -0.001 0.000 0.266 361 N C 1.310 176.821 175.510 0.002 0.000 1.168 361 N CA 0.279 53.317 53.050 -0.020 0.000 1.055 361 N CB 0.551 39.061 38.487 0.038 0.000 1.393 361 N HN 0.689 nan 8.380 nan 0.000 0.514 362 S N 1.876 117.567 115.700 -0.016 0.000 2.461 362 S HA -0.194 4.276 4.470 -0.001 0.000 0.249 362 S C 1.502 176.118 174.600 0.027 0.000 1.012 362 S CA 1.331 59.540 58.200 0.015 0.000 0.982 362 S CB 0.168 63.380 63.200 0.020 0.000 0.764 362 S HN 0.513 nan 8.310 nan 0.000 0.506 363 K N 0.770 121.176 120.400 0.010 0.000 2.168 363 K HA 0.313 4.632 4.320 -0.001 0.000 0.201 363 K C 1.786 178.388 176.600 0.003 0.000 1.049 363 K CA 0.447 56.735 56.287 0.001 0.000 0.974 363 K CB -0.140 32.346 32.500 -0.024 0.000 0.792 363 K HN 0.231 nan 8.250 nan 0.000 0.463 364 L N 0.683 121.903 121.223 -0.004 0.000 2.313 364 L HA 0.012 4.351 4.340 -0.001 0.000 0.214 364 L C 0.201 177.234 176.870 0.272 0.000 1.119 364 L CA 0.644 55.455 54.840 -0.047 0.000 0.809 364 L CB -0.236 41.572 42.059 -0.419 0.000 0.933 364 L HN 0.037 nan 8.230 nan 0.000 0.449 365 T N 1.351 116.086 114.554 0.302 0.000 2.987 365 T HA 0.097 4.446 4.350 -0.001 0.000 0.288 365 T C 1.034 175.815 174.700 0.136 0.000 0.981 365 T CA -0.134 62.117 62.100 0.252 0.000 1.031 365 T CB 0.531 69.455 68.868 0.093 0.000 0.976 365 T HN 0.005 nan 8.240 nan 0.000 0.612 366 K N 1.366 121.847 120.400 0.135 0.000 2.355 366 K HA 0.170 4.489 4.320 -0.001 0.000 0.198 366 K C 0.192 176.823 176.600 0.051 0.000 1.039 366 K CA 0.042 56.374 56.287 0.074 0.000 1.075 366 K CB 0.596 33.130 32.500 0.056 0.000 0.870 366 K HN 0.485 nan 8.250 nan 0.000 0.540 367 D N 1.332 121.765 120.400 0.054 0.000 2.264 367 D HA 0.179 4.818 4.640 -0.001 0.000 0.249 367 D C 0.028 176.351 176.300 0.039 0.000 1.070 367 D CA 0.150 54.171 54.000 0.036 0.000 0.912 367 D CB 1.655 42.465 40.800 0.017 0.000 1.193 367 D HN -0.006 nan 8.370 nan 0.000 0.427 368 S N -0.631 115.103 115.700 0.057 0.000 2.546 368 S HA 0.565 5.035 4.470 -0.001 0.000 0.274 368 S C -0.753 173.945 174.600 0.163 0.000 1.121 368 S CA -0.911 57.327 58.200 0.063 0.000 0.887 368 S CB 1.458 64.658 63.200 -0.000 0.000 1.094 368 S HN 0.118 nan 8.310 nan 0.000 0.474 369 V N 2.094 122.120 119.914 0.186 0.000 2.407 369 V HA 0.372 4.491 4.120 -0.001 0.000 0.278 369 V C -0.666 175.683 176.094 0.425 0.000 1.037 369 V CA -0.633 61.867 62.300 0.332 0.000 0.900 369 V CB 0.321 32.347 31.823 0.338 0.000 0.983 369 V HN 0.908 nan 8.190 nan 0.000 0.459 370 W N 3.609 124.997 121.300 0.147 0.000 2.216 370 W HA 0.286 4.945 4.660 -0.002 0.000 0.326 370 W C 1.412 178.085 176.519 0.256 0.000 1.319 370 W CA -0.504 56.910 57.345 0.116 0.000 1.213 370 W CB -0.328 29.160 29.460 0.047 0.000 1.171 370 W HN 0.536 nan 8.180 nan 0.000 0.557 371 N N 1.363 120.322 118.700 0.432 0.000 2.094 371 N HA -0.176 4.563 4.740 -0.001 0.000 0.191 371 N C -0.307 175.467 175.510 0.441 0.000 1.023 371 N CA 1.587 54.901 53.050 0.440 0.000 0.857 371 N CB -0.337 38.433 38.487 0.471 0.000 1.013 371 N HN 0.507 nan 8.380 nan 0.000 0.426 372 Y N -3.288 117.273 120.300 0.434 0.000 2.558 372 Y HA 0.595 5.145 4.550 -0.001 0.000 0.333 372 Y C -1.339 174.874 175.900 0.522 0.000 1.125 372 Y CA -1.410 56.818 58.100 0.213 0.000 1.039 372 Y CB 0.662 39.087 38.460 -0.058 0.000 1.331 372 Y HN -0.018 nan 8.280 nan 0.000 0.456 373 H N 1.701 120.892 119.070 0.201 0.000 2.877 373 H HA 0.738 5.294 4.556 -0.001 0.000 0.347 373 H C -1.618 173.757 175.328 0.079 0.000 1.042 373 H CA -1.051 55.140 56.048 0.238 0.000 1.276 373 H CB 1.480 31.282 29.762 0.066 0.000 1.681 373 H HN 1.113 nan 8.280 nan 0.000 0.521 374 C N 4.897 124.067 119.300 -0.216 0.000 2.370 374 C HA 0.676 5.135 4.460 -0.001 0.000 0.354 374 C C -0.507 174.344 174.990 -0.231 0.000 1.218 374 C CA -0.560 58.306 59.018 -0.254 0.000 2.154 374 C CB -1.175 26.547 27.740 -0.029 0.000 2.391 374 C HN 0.900 nan 8.230 nan 0.000 0.540 375 W N 1.159 122.340 121.300 -0.198 0.000 3.098 375 W HA 0.705 5.365 4.660 -0.001 0.000 0.367 375 W C -1.244 175.281 176.519 0.009 0.000 1.163 375 W CA -0.814 56.466 57.345 -0.108 0.000 1.113 375 W CB 0.146 29.561 29.460 -0.074 0.000 1.501 375 W HN 0.461 nan 8.180 nan 0.000 0.598 376 N N 0.128 119.087 118.700 0.430 0.000 2.362 376 N HA 0.461 5.200 4.740 -0.001 0.000 0.299 376 N C -1.543 174.206 175.510 0.399 0.000 1.170 376 N CA -0.983 52.273 53.050 0.345 0.000 0.825 376 N CB 2.008 40.764 38.487 0.448 0.000 1.299 376 N HN 0.426 nan 8.380 nan 0.000 0.502 377 E N 0.199 120.577 120.200 0.297 0.000 2.210 377 E HA 0.705 5.054 4.350 -0.001 0.000 0.266 377 E C -1.338 175.590 176.600 0.547 0.000 0.883 377 E CA -0.951 55.684 56.400 0.392 0.000 0.761 377 E CB 1.887 31.655 29.700 0.114 0.000 1.156 377 E HN 0.588 nan 8.360 nan 0.000 0.412 378 A N 3.661 126.802 122.820 0.536 0.000 2.371 378 A HA 0.389 4.708 4.320 -0.001 0.000 0.311 378 A C -1.504 176.198 177.584 0.197 0.000 1.068 378 A CA -0.686 51.560 52.037 0.350 0.000 0.744 378 A CB 1.028 20.156 19.000 0.213 0.000 1.239 378 A HN 0.705 nan 8.150 nan 0.000 0.435 379 W N 5.627 126.729 121.300 -0.330 0.000 2.351 379 W HA 0.637 5.296 4.660 -0.001 0.000 0.311 379 W C -0.916 175.392 176.519 -0.352 0.000 1.168 379 W CA -0.236 56.740 57.345 -0.615 0.000 1.200 379 W CB 1.275 30.086 29.460 -1.082 0.000 1.221 379 W HN 0.907 nan 8.180 nan 0.000 0.519 380 M N 3.993 123.112 119.600 -0.803 0.000 3.015 380 M HA 0.228 4.707 4.480 -0.001 0.000 0.272 380 M C -0.900 175.050 176.300 -0.584 0.000 1.085 380 M CA -0.579 54.406 55.300 -0.525 0.000 0.795 380 M CB 1.280 33.730 32.600 -0.251 0.000 1.632 380 M HN 0.293 nan 8.290 nan 0.000 0.535 381 T N -0.478 113.862 114.554 -0.356 0.000 2.770 381 T HA 0.663 5.012 4.350 -0.001 0.000 0.281 381 T C -0.066 174.520 174.700 -0.190 0.000 0.981 381 T CA -0.624 61.304 62.100 -0.288 0.000 0.955 381 T CB 0.929 69.697 68.868 -0.167 0.000 1.060 381 T HN 0.717 nan 8.240 nan 0.000 0.531 382 R N 1.390 121.800 120.500 -0.149 0.000 2.721 382 R HA 0.286 4.626 4.340 -0.001 0.000 0.272 382 R C -2.493 173.750 176.300 -0.094 0.000 1.721 382 R CA -1.642 54.396 56.100 -0.103 0.000 1.325 382 R CB 1.314 31.555 30.300 -0.097 0.000 1.271 382 R HN 0.528 nan 8.270 nan 0.000 0.556 383 P HA -0.024 nan 4.420 nan 0.000 0.236 383 P C 0.577 177.838 177.300 -0.064 0.000 1.177 383 P CA 0.592 63.657 63.100 -0.059 0.000 0.773 383 P CB 0.403 32.085 31.700 -0.030 0.000 0.878 384 D N -1.337 119.018 120.400 -0.075 0.000 2.339 384 D HA 0.015 4.654 4.640 -0.001 0.000 0.217 384 D C 0.534 176.734 176.300 -0.166 0.000 1.050 384 D CA 0.354 54.299 54.000 -0.091 0.000 0.856 384 D CB -0.133 40.625 40.800 -0.070 0.000 0.922 384 D HN 0.174 nan 8.370 nan 0.000 0.518 385 L N -0.410 120.692 121.223 -0.203 0.000 2.271 385 L HA 0.507 4.846 4.340 -0.001 0.000 0.265 385 L C -2.292 174.434 176.870 -0.241 0.000 1.013 385 L CA -2.354 52.276 54.840 -0.350 0.000 0.820 385 L CB 1.620 43.431 42.059 -0.413 0.000 1.352 385 L HN -0.322 nan 8.230 nan 0.000 0.443 386 P HA 0.058 nan 4.420 nan 0.000 0.274 386 P C -0.752 176.491 177.300 -0.094 0.000 1.256 386 P CA -0.387 62.641 63.100 -0.121 0.000 0.795 386 P CB 0.685 32.347 31.700 -0.063 0.000 1.038 387 V N 0.676 120.505 119.914 -0.142 0.000 2.763 387 V HA 0.341 4.460 4.120 -0.001 0.000 0.306 387 V C 1.239 177.112 176.094 -0.368 0.000 1.059 387 V CA 1.867 64.053 62.300 -0.191 0.000 1.138 387 V CB -0.268 31.470 31.823 -0.143 0.000 0.940 387 V HN 0.938 nan 8.190 nan 0.000 0.489 388 G N 4.960 113.523 108.800 -0.394 0.000 2.259 388 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.217 388 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.217 388 G C 0.138 174.630 174.900 -0.680 0.000 1.001 388 G CA 0.350 45.100 45.100 -0.583 0.000 0.627 388 G HN 0.846 nan 8.290 nan 0.000 0.501 389 F N 2.907 122.736 119.950 -0.202 0.000 2.660 389 F HA 0.548 5.075 4.527 -0.001 0.000 0.297 389 F C 1.691 177.364 175.800 -0.213 0.000 1.132 389 F CA -0.287 57.595 58.000 -0.197 0.000 1.372 389 F CB 0.347 39.199 39.000 -0.247 0.000 1.003 389 F HN 0.367 nan 8.300 nan 0.000 0.524 390 G N -0.743 107.962 108.800 -0.157 0.000 2.522 390 G HA2 0.576 4.535 3.960 -0.001 0.000 0.304 390 G HA3 0.576 4.535 3.960 -0.001 0.000 0.304 390 G C 0.339 174.977 174.900 -0.437 0.000 1.210 390 G CA 0.114 45.042 45.100 -0.286 0.000 0.960 390 G HN 0.584 nan 8.290 nan 0.000 0.497 391 G N -1.279 107.009 108.800 -0.854 0.000 2.408 391 G HA2 -0.121 3.838 3.960 -0.001 0.000 0.204 391 G HA3 -0.121 3.838 3.960 -0.001 0.000 0.204 391 G C -0.518 173.883 174.900 -0.832 0.000 1.186 391 G CA -0.418 43.864 45.100 -1.363 0.000 1.139 391 G HN 0.761 nan 8.290 nan 0.000 0.563 392 W N 2.201 123.457 121.300 -0.073 0.000 2.210 392 W HA 0.569 5.228 4.660 -0.002 0.000 0.330 392 W C 0.537 177.062 176.519 0.011 0.000 1.334 392 W CA 0.072 57.469 57.345 0.087 0.000 1.227 392 W CB 0.698 30.243 29.460 0.142 0.000 1.178 392 W HN 0.365 nan 8.180 nan 0.000 0.560 393 Q N 2.555 122.548 119.800 0.320 0.000 2.321 393 Q HA 0.533 4.872 4.340 -0.001 0.000 0.270 393 Q C -0.505 175.674 176.000 0.297 0.000 1.032 393 Q CA -0.848 55.089 55.803 0.224 0.000 0.784 393 Q CB 1.833 30.653 28.738 0.136 0.000 1.264 393 Q HN 0.540 nan 8.270 nan 0.000 0.448 394 A N 2.202 125.185 122.820 0.273 0.000 2.366 394 A HA 0.584 4.903 4.320 -0.001 0.000 0.272 394 A C -0.286 177.398 177.584 0.168 0.000 1.135 394 A CA -0.324 51.885 52.037 0.286 0.000 0.804 394 A CB 0.526 19.680 19.000 0.256 0.000 1.064 394 A HN 0.424 nan 8.150 nan 0.000 0.499 395 V N 3.442 123.465 119.914 0.182 0.000 2.525 395 V HA 0.309 4.428 4.120 -0.001 0.000 0.299 395 V C -1.011 175.102 176.094 0.032 0.000 1.034 395 V CA -0.681 61.673 62.300 0.090 0.000 0.863 395 V CB 1.913 33.830 31.823 0.157 0.000 0.999 395 V HN 0.931 nan 8.190 nan 0.000 0.423 396 D N 2.595 122.959 120.400 -0.061 0.000 2.414 396 D HA 0.317 4.957 4.640 -0.001 0.000 0.232 396 D C 1.011 177.271 176.300 -0.067 0.000 1.070 396 D CA -0.211 53.777 54.000 -0.019 0.000 0.839 396 D CB 2.003 42.778 40.800 -0.043 0.000 1.079 396 D HN 0.495 nan 8.370 nan 0.000 0.521 397 S N 1.376 117.013 115.700 -0.105 0.000 2.522 397 S HA -0.023 4.446 4.470 -0.001 0.000 0.227 397 S C 0.941 175.479 174.600 -0.105 0.000 0.986 397 S CA 0.099 58.166 58.200 -0.223 0.000 0.929 397 S CB -0.010 63.011 63.200 -0.299 0.000 0.769 397 S HN 0.432 nan 8.310 nan 0.000 0.529 398 T N 5.544 120.176 114.554 0.130 0.000 2.723 398 T HA 0.271 4.620 4.350 -0.001 0.000 0.297 398 T C -2.371 172.453 174.700 0.206 0.000 0.925 398 T CA -1.360 60.906 62.100 0.276 0.000 1.030 398 T CB 0.780 69.948 68.868 0.500 0.000 0.905 398 T HN 0.194 nan 8.240 nan 0.000 0.502 399 P HA 0.096 nan 4.420 nan 0.000 0.269 399 P C -0.633 176.683 177.300 0.026 0.000 1.215 399 P CA -0.233 62.892 63.100 0.042 0.000 0.780 399 P CB 0.698 32.387 31.700 -0.018 0.000 0.898 400 Q N -0.745 118.968 119.800 -0.144 0.000 2.633 400 Q HA 0.293 4.632 4.340 -0.001 0.000 0.289 400 Q C -1.241 174.554 176.000 -0.341 0.000 0.940 400 Q CA -0.951 54.668 55.803 -0.307 0.000 0.785 400 Q CB 0.957 29.343 28.738 -0.587 0.000 1.467 400 Q HN 0.229 nan 8.270 nan 0.000 0.401 401 E N 2.008 122.008 120.200 -0.334 0.000 2.366 401 E HA 0.133 4.482 4.350 -0.001 0.000 0.266 401 E C -0.694 175.519 176.600 -0.645 0.000 1.015 401 E CA 0.491 56.677 56.400 -0.357 0.000 0.906 401 E CB 0.596 30.167 29.700 -0.215 0.000 0.979 401 E HN 0.661 nan 8.360 nan 0.000 0.443 402 N N -0.575 117.695 118.700 -0.717 0.000 3.379 402 N HA 0.182 4.921 4.740 -0.001 0.000 0.350 402 N C 0.550 175.798 175.510 -0.437 0.000 1.553 402 N CA -0.644 51.660 53.050 -1.243 0.000 0.712 402 N CB 0.006 37.879 38.487 -1.024 0.000 1.880 402 N HN 0.034 nan 8.380 nan 0.000 0.648 403 S N -0.656 114.939 115.700 -0.176 0.000 2.383 403 S HA -0.148 4.321 4.470 -0.001 0.000 0.229 403 S C 0.493 175.083 174.600 -0.017 0.000 1.030 403 S CA 1.602 59.802 58.200 -0.001 0.000 1.002 403 S CB -0.580 62.663 63.200 0.071 0.000 0.829 403 S HN 0.616 nan 8.310 nan 0.000 0.467 404 D N 0.799 121.197 120.400 -0.003 0.000 2.323 404 D HA 0.235 4.874 4.640 -0.001 0.000 0.209 404 D C 1.116 177.389 176.300 -0.045 0.000 0.973 404 D CA 0.778 54.830 54.000 0.087 0.000 0.874 404 D CB -0.532 40.424 40.800 0.260 0.000 0.930 404 D HN 0.466 nan 8.370 nan 0.000 0.521 405 G N 1.729 110.417 108.800 -0.187 0.000 3.273 405 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.325 405 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.325 405 G C 0.111 174.670 174.900 -0.568 0.000 0.960 405 G CA 0.066 44.971 45.100 -0.326 0.000 0.808 405 G HN 0.172 nan 8.290 nan 0.000 0.387 406 M N 0.271 119.576 119.600 -0.491 0.000 2.625 406 M HA -0.081 4.398 4.480 -0.001 0.000 0.198 406 M C -1.076 174.859 176.300 -0.607 0.000 0.799 406 M CA 0.373 55.382 55.300 -0.484 0.000 0.606 406 M CB -1.950 30.396 32.600 -0.423 0.000 1.610 406 M HN 1.358 nan 8.290 nan 0.000 0.842 407 Y N -1.131 119.071 120.300 -0.164 0.000 2.689 407 Y HA 0.777 5.326 4.550 -0.002 0.000 0.333 407 Y C 0.461 176.264 175.900 -0.163 0.000 1.190 407 Y CA -1.279 56.727 58.100 -0.158 0.000 1.063 407 Y CB 0.829 39.193 38.460 -0.160 0.000 1.294 407 Y HN 0.459 nan 8.280 nan 0.000 0.466 408 R N 0.092 120.612 120.500 0.034 0.000 2.863 408 R HA 0.556 4.895 4.340 -0.001 0.000 0.273 408 R C -1.004 175.261 176.300 -0.058 0.000 1.057 408 R CA -0.368 55.694 56.100 -0.063 0.000 1.191 408 R CB -0.474 29.726 30.300 -0.168 0.000 1.104 408 R HN 0.489 nan 8.270 nan 0.000 0.519 409 C N -0.397 118.866 119.300 -0.062 0.000 2.707 409 C HA 0.975 5.435 4.460 -0.001 0.000 0.313 409 C C 0.409 175.391 174.990 -0.014 0.000 1.209 409 C CA 0.260 59.259 59.018 -0.032 0.000 1.635 409 C CB 0.889 28.621 27.740 -0.014 0.000 2.206 409 C HN 1.168 nan 8.230 nan 0.000 0.485 410 G N 2.592 111.429 108.800 0.062 0.000 2.555 410 G HA2 0.054 4.013 3.960 -0.001 0.000 0.686 410 G HA3 0.054 4.013 3.960 -0.001 0.000 0.686 410 G C -3.378 171.574 174.900 0.087 0.000 1.275 410 G CA -1.020 44.145 45.100 0.108 0.000 0.871 410 G HN 0.568 nan 8.290 nan 0.000 0.603 411 P HA 0.476 nan 4.420 nan 0.000 0.276 411 P C -0.065 177.394 177.300 0.265 0.000 1.264 411 P CA 0.645 63.888 63.100 0.237 0.000 0.769 411 P CB 1.070 32.898 31.700 0.215 0.000 0.840 412 A N 3.412 126.341 122.820 0.181 0.000 2.274 412 A HA 0.364 4.683 4.320 -0.001 0.000 0.309 412 A C 0.620 178.279 177.584 0.125 0.000 1.226 412 A CA -0.561 51.561 52.037 0.141 0.000 0.853 412 A CB 0.325 19.406 19.000 0.135 0.000 1.146 412 A HN 0.480 nan 8.150 nan 0.000 0.518 413 S N 2.796 118.545 115.700 0.083 0.000 2.506 413 S HA 0.103 4.573 4.470 -0.001 0.000 0.291 413 S C 1.328 176.007 174.600 0.132 0.000 1.230 413 S CA -0.335 57.924 58.200 0.098 0.000 1.107 413 S CB -0.186 63.068 63.200 0.090 0.000 0.942 413 S HN 0.732 nan 8.310 nan 0.000 0.502 414 V N 5.811 125.789 119.914 0.107 0.000 2.527 414 V HA -0.198 3.921 4.120 -0.001 0.000 0.255 414 V C 2.661 178.772 176.094 0.029 0.000 1.081 414 V CA 1.996 64.291 62.300 -0.009 0.000 1.092 414 V CB -0.622 31.130 31.823 -0.118 0.000 0.673 414 V HN 0.837 nan 8.190 nan 0.000 0.470 415 Q N -0.933 118.952 119.800 0.142 0.000 2.123 415 Q HA -0.072 4.267 4.340 -0.001 0.000 0.199 415 Q C 2.464 178.691 176.000 0.377 0.000 0.966 415 Q CA 1.520 57.444 55.803 0.202 0.000 0.845 415 Q CB -0.229 28.583 28.738 0.123 0.000 0.907 415 Q HN 0.683 nan 8.270 nan 0.000 0.439 416 A N 1.141 124.231 122.820 0.450 0.000 1.930 416 A HA -0.152 4.167 4.320 -0.001 0.000 0.217 416 A C 1.982 179.795 177.584 0.382 0.000 1.175 416 A CA 0.920 53.208 52.037 0.418 0.000 0.627 416 A CB -0.393 18.622 19.000 0.024 0.000 0.815 416 A HN 0.220 nan 8.150 nan 0.000 0.443 417 I N 0.179 120.936 120.570 0.311 0.000 2.142 417 I HA -0.229 3.940 4.170 -0.001 0.000 0.240 417 I C 2.362 178.719 176.117 0.399 0.000 1.078 417 I CA 1.960 63.490 61.300 0.384 0.000 1.343 417 I CB -1.248 36.932 38.000 0.299 0.000 1.046 417 I HN 0.440 nan 8.210 nan 0.000 0.405 418 K N 0.259 120.827 120.400 0.280 0.000 2.286 418 K HA -0.218 4.101 4.320 -0.001 0.000 0.203 418 K C 1.215 178.024 176.600 0.349 0.000 1.045 418 K CA 1.567 57.960 56.287 0.176 0.000 0.935 418 K CB -0.063 32.455 32.500 0.031 0.000 0.737 418 K HN 0.420 nan 8.250 nan 0.000 0.460 419 H N -1.557 117.691 119.070 0.297 0.000 2.542 419 H HA 0.240 4.795 4.556 -0.001 0.000 0.283 419 H C 0.760 176.069 175.328 -0.032 0.000 1.059 419 H CA 0.344 56.537 56.048 0.243 0.000 1.162 419 H CB 0.988 30.930 29.762 0.299 0.000 1.539 419 H HN 0.410 nan 8.280 nan 0.000 0.543 420 G N 0.819 109.795 108.800 0.294 0.000 2.180 420 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.263 420 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.263 420 G C -0.030 174.776 174.900 -0.156 0.000 0.989 420 G CA 0.168 45.295 45.100 0.045 0.000 0.692 420 G HN 0.511 nan 8.290 nan 0.000 0.526 421 H N 0.524 119.679 119.070 0.142 0.000 2.998 421 H HA 0.292 4.847 4.556 -0.001 0.000 0.241 421 H C 1.820 177.044 175.328 -0.174 0.000 1.852 421 H CA 0.560 56.600 56.048 -0.014 0.000 1.419 421 H CB 0.023 29.820 29.762 0.058 0.000 1.793 421 H HN 0.473 nan 8.280 nan 0.000 0.553 422 V N -0.748 119.095 119.914 -0.119 0.000 3.573 422 V HA -0.113 4.006 4.120 -0.001 0.000 0.270 422 V C 2.140 178.084 176.094 -0.251 0.000 1.221 422 V CA 0.547 62.746 62.300 -0.168 0.000 1.163 422 V CB -1.345 30.329 31.823 -0.249 0.000 0.847 422 V HN 0.645 nan 8.190 nan 0.000 0.468 423 C N -1.399 117.620 119.300 -0.467 0.000 2.449 423 C HA 0.247 4.706 4.460 -0.001 0.000 0.283 423 C C 0.971 175.608 174.990 -0.589 0.000 1.453 423 C CA -0.744 57.887 59.018 -0.644 0.000 1.779 423 C CB -2.045 25.062 27.740 -1.054 0.000 1.779 423 C HN 0.388 nan 8.230 nan 0.000 0.546 424 F N 2.591 122.386 119.950 -0.259 0.000 2.379 424 F HA 0.437 4.963 4.527 -0.001 0.000 0.332 424 F C 0.767 176.399 175.800 -0.281 0.000 1.096 424 F CA -1.200 56.612 58.000 -0.313 0.000 1.105 424 F CB 0.556 39.292 39.000 -0.441 0.000 1.189 424 F HN 0.295 nan 8.300 nan 0.000 0.515 425 Q N 1.214 120.909 119.800 -0.176 0.000 2.312 425 Q HA 0.523 4.862 4.340 -0.001 0.000 0.236 425 Q C -1.693 174.025 176.000 -0.471 0.000 0.965 425 Q CA -0.359 55.192 55.803 -0.419 0.000 0.894 425 Q CB 0.827 29.029 28.738 -0.895 0.000 1.225 425 Q HN 0.462 nan 8.270 nan 0.000 0.478 426 F N 0.449 120.420 119.950 0.035 0.000 2.469 426 F HA 0.247 4.773 4.527 -0.002 0.000 0.332 426 F C -0.038 175.800 175.800 0.064 0.000 1.103 426 F CA -0.869 57.154 58.000 0.038 0.000 0.979 426 F CB 1.372 40.380 39.000 0.015 0.000 1.137 426 F HN 0.717 nan 8.300 nan 0.000 0.463 427 D N 0.892 121.449 120.400 0.262 0.000 2.751 427 D HA -0.268 4.371 4.640 -0.001 0.000 0.233 427 D C 1.362 177.841 176.300 0.298 0.000 1.149 427 D CA 0.747 54.935 54.000 0.313 0.000 0.682 427 D CB -1.049 39.888 40.800 0.229 0.000 1.068 427 D HN 0.696 nan 8.370 nan 0.000 0.429 428 A N 0.055 122.972 122.820 0.162 0.000 1.908 428 A HA -0.112 4.207 4.320 -0.001 0.000 0.218 428 A C -0.070 177.556 177.584 0.070 0.000 1.181 428 A CA 1.654 53.760 52.037 0.113 0.000 0.627 428 A CB -1.018 18.020 19.000 0.064 0.000 0.818 428 A HN 0.301 nan 8.150 nan 0.000 0.445 429 P HA -0.130 nan 4.420 nan 0.000 0.218 429 P C 0.916 178.000 177.300 -0.361 0.000 1.148 429 P CA 1.038 63.947 63.100 -0.317 0.000 0.822 429 P CB -0.171 31.189 31.700 -0.566 0.000 0.784 430 F N -0.475 119.491 119.950 0.026 0.000 2.128 430 F HA -0.125 4.401 4.527 -0.001 0.000 0.295 430 F C 2.361 178.150 175.800 -0.019 0.000 1.100 430 F CA 1.230 59.223 58.000 -0.012 0.000 1.260 430 F CB -1.748 37.218 39.000 -0.057 0.000 1.009 430 F HN -0.210 nan 8.300 nan 0.000 0.476 431 V N -1.575 118.403 119.914 0.108 0.000 2.626 431 V HA -0.234 3.885 4.120 -0.001 0.000 0.252 431 V C 2.095 178.217 176.094 0.048 0.000 1.067 431 V CA 1.403 63.667 62.300 -0.061 0.000 1.081 431 V CB -1.205 30.523 31.823 -0.158 0.000 0.686 431 V HN 0.307 nan 8.190 nan 0.000 0.468 432 F N 2.170 122.117 119.950 -0.005 0.000 2.186 432 F HA 0.184 4.711 4.527 -0.001 0.000 0.299 432 F C 2.244 178.055 175.800 0.019 0.000 1.090 432 F CA 1.573 59.593 58.000 0.034 0.000 1.307 432 F CB -0.445 38.554 39.000 -0.002 0.000 1.019 432 F HN 0.245 nan 8.300 nan 0.000 0.489 433 A N -0.824 122.129 122.820 0.220 0.000 2.275 433 A HA 0.068 4.387 4.320 -0.001 0.000 0.212 433 A C 1.973 179.587 177.584 0.051 0.000 1.201 433 A CA 0.295 52.407 52.037 0.125 0.000 0.843 433 A CB -0.551 18.501 19.000 0.087 0.000 0.873 433 A HN 0.343 nan 8.150 nan 0.000 0.492 434 E N -0.729 119.492 120.200 0.036 0.000 2.216 434 E HA -0.040 4.309 4.350 -0.001 0.000 0.192 434 E C 1.486 178.154 176.600 0.113 0.000 0.988 434 E CA 0.971 57.400 56.400 0.047 0.000 0.834 434 E CB 0.339 30.011 29.700 -0.047 0.000 0.772 434 E HN 0.350 nan 8.360 nan 0.000 0.479 435 V N 0.452 120.405 119.914 0.064 0.000 3.484 435 V HA 0.112 4.232 4.120 -0.001 0.000 0.252 435 V C 0.495 176.575 176.094 -0.024 0.000 1.282 435 V CA 0.344 62.678 62.300 0.058 0.000 1.104 435 V CB 0.373 32.236 31.823 0.066 0.000 0.868 435 V HN 0.009 nan 8.190 nan 0.000 0.457 436 N N 0.926 119.549 118.700 -0.127 0.000 2.610 436 N HA 0.228 4.967 4.740 -0.001 0.000 0.309 436 N C -0.332 175.168 175.510 -0.017 0.000 1.536 436 N CA 0.265 53.231 53.050 -0.139 0.000 0.954 436 N CB 0.761 38.984 38.487 -0.439 0.000 1.310 436 N HN 0.420 nan 8.380 nan 0.000 0.502 437 S N -0.432 115.284 115.700 0.028 0.000 2.578 437 S HA 0.520 4.990 4.470 -0.001 0.000 0.301 437 S C -0.642 173.983 174.600 0.042 0.000 1.091 437 S CA -0.631 57.597 58.200 0.046 0.000 1.032 437 S CB 1.653 64.881 63.200 0.046 0.000 1.064 437 S HN 0.060 nan 8.310 nan 0.000 0.508 438 D N 1.667 122.081 120.400 0.023 0.000 2.332 438 D HA 0.420 5.059 4.640 -0.001 0.000 0.252 438 D C -0.522 175.753 176.300 -0.043 0.000 1.050 438 D CA -0.339 53.665 54.000 0.007 0.000 0.970 438 D CB 0.973 41.776 40.800 0.006 0.000 1.141 438 D HN 0.499 nan 8.370 nan 0.000 0.485 439 L N 1.574 122.751 121.223 -0.077 0.000 2.287 439 L HA 0.363 4.702 4.340 -0.001 0.000 0.287 439 L C -0.601 176.093 176.870 -0.295 0.000 1.022 439 L CA -0.813 53.890 54.840 -0.228 0.000 0.814 439 L CB 1.117 43.015 42.059 -0.268 0.000 1.217 439 L HN 0.098 nan 8.230 nan 0.000 0.420 440 I N 3.508 123.861 120.570 -0.362 0.000 2.354 440 I HA 0.257 4.426 4.170 -0.001 0.000 0.292 440 I C -0.429 175.437 176.117 -0.419 0.000 0.989 440 I CA -0.657 60.483 61.300 -0.267 0.000 1.188 440 I CB 1.121 39.014 38.000 -0.179 0.000 1.342 440 I HN 0.362 nan 8.210 nan 0.000 0.457 441 Y N 6.533 126.772 120.300 -0.101 0.000 2.385 441 Y HA 0.509 5.058 4.550 -0.001 0.000 0.341 441 Y C 0.398 176.245 175.900 -0.087 0.000 0.965 441 Y CA -0.267 57.762 58.100 -0.117 0.000 1.180 441 Y CB 0.997 39.411 38.460 -0.077 0.000 1.139 441 Y HN 0.347 nan 8.280 nan 0.000 0.502 442 I N 2.752 123.322 120.570 0.001 0.000 2.493 442 I HA 0.391 4.560 4.170 -0.001 0.000 0.298 442 I C -0.279 175.933 176.117 0.159 0.000 0.998 442 I CA -0.731 60.618 61.300 0.082 0.000 1.137 442 I CB 2.076 40.133 38.000 0.095 0.000 1.310 442 I HN 0.427 nan 8.210 nan 0.000 0.445 443 T N 4.596 119.236 114.554 0.144 0.000 2.767 443 T HA 0.526 4.875 4.350 -0.001 0.000 0.284 443 T C -0.041 174.705 174.700 0.077 0.000 0.973 443 T CA -0.505 61.652 62.100 0.094 0.000 0.996 443 T CB 1.340 70.231 68.868 0.037 0.000 0.927 443 T HN 0.659 nan 8.240 nan 0.000 0.456 444 A N 4.463 127.296 122.820 0.021 0.000 2.444 444 A HA 0.405 4.725 4.320 -0.001 0.000 0.332 444 A C 0.439 177.911 177.584 -0.186 0.000 1.430 444 A CA -0.795 51.125 52.037 -0.196 0.000 0.975 444 A CB -0.039 18.829 19.000 -0.219 0.000 1.147 444 A HN 0.771 nan 8.150 nan 0.000 0.524 445 K N 1.672 121.962 120.400 -0.183 0.000 2.436 445 K HA 0.019 4.338 4.320 -0.001 0.000 0.275 445 K C 0.435 176.956 176.600 -0.130 0.000 0.999 445 K CA -0.177 56.036 56.287 -0.122 0.000 0.980 445 K CB 0.713 33.158 32.500 -0.090 0.000 0.919 445 K HN 0.475 nan 8.250 nan 0.000 0.484 446 K N 1.889 122.234 120.400 -0.091 0.000 2.189 446 K HA -0.217 4.102 4.320 -0.001 0.000 0.207 446 K C 1.324 177.877 176.600 -0.077 0.000 1.046 446 K CA 2.080 58.320 56.287 -0.079 0.000 0.928 446 K CB -0.255 32.212 32.500 -0.056 0.000 0.720 446 K HN 0.699 nan 8.250 nan 0.000 0.458 447 D N -2.447 117.908 120.400 -0.074 0.000 2.277 447 D HA 0.009 4.648 4.640 -0.001 0.000 0.208 447 D C 1.258 177.515 176.300 -0.073 0.000 0.962 447 D CA 1.236 55.199 54.000 -0.062 0.000 0.865 447 D CB 0.044 40.817 40.800 -0.046 0.000 0.939 447 D HN 0.262 nan 8.370 nan 0.000 0.510 448 G N -0.499 108.232 108.800 -0.115 0.000 2.485 448 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.181 448 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.181 448 G C 0.498 175.288 174.900 -0.183 0.000 0.999 448 G CA 0.174 45.197 45.100 -0.129 0.000 0.721 448 G HN 0.685 nan 8.290 nan 0.000 0.486 449 T N -0.930 113.525 114.554 -0.164 0.000 2.788 449 T HA 0.667 5.016 4.350 -0.001 0.000 0.280 449 T C -0.199 174.304 174.700 -0.328 0.000 0.984 449 T CA -0.041 61.998 62.100 -0.102 0.000 0.972 449 T CB 1.636 70.495 68.868 -0.014 0.000 1.039 449 T HN 0.365 nan 8.240 nan 0.000 0.530 450 H N -1.569 117.512 119.070 0.018 0.000 2.768 450 H HA 0.708 5.263 4.556 -0.001 0.000 0.371 450 H C -1.017 174.338 175.328 0.046 0.000 1.151 450 H CA -0.844 55.234 56.048 0.050 0.000 1.165 450 H CB 1.897 31.710 29.762 0.085 0.000 1.722 450 H HN 0.627 nan 8.280 nan 0.000 0.543 451 V N 3.035 123.040 119.914 0.152 0.000 2.569 451 V HA 0.401 4.520 4.120 -0.001 0.000 0.301 451 V C -0.871 175.279 176.094 0.093 0.000 1.044 451 V CA -0.933 61.424 62.300 0.095 0.000 0.874 451 V CB 1.543 33.396 31.823 0.051 0.000 1.002 451 V HN 0.749 nan 8.190 nan 0.000 0.424 452 V N 4.695 124.653 119.914 0.074 0.000 2.381 452 V HA 0.468 4.588 4.120 -0.001 0.000 0.257 452 V C 1.159 177.286 176.094 0.056 0.000 1.057 452 V CA -0.007 62.329 62.300 0.061 0.000 1.013 452 V CB 0.328 32.175 31.823 0.041 0.000 1.069 452 V HN 0.906 nan 8.190 nan 0.000 0.484 453 E N 4.456 124.697 120.200 0.069 0.000 2.015 453 E HA -0.054 4.295 4.350 -0.001 0.000 0.191 453 E C 0.609 177.243 176.600 0.057 0.000 0.991 453 E CA 1.867 58.299 56.400 0.054 0.000 0.802 453 E CB 0.052 29.778 29.700 0.043 0.000 0.759 453 E HN 1.087 nan 8.360 nan 0.000 0.447 454 N N -1.968 116.798 118.700 0.110 0.000 2.859 454 N HA 0.223 4.963 4.740 -0.001 0.000 0.250 454 N C -1.161 174.471 175.510 0.204 0.000 1.341 454 N CA -0.663 52.455 53.050 0.113 0.000 0.881 454 N CB 1.813 40.335 38.487 0.060 0.000 1.516 454 N HN -0.127 nan 8.380 nan 0.000 0.503 455 V N -1.561 118.433 119.914 0.134 0.000 2.435 455 V HA 0.652 4.771 4.120 -0.001 0.000 0.290 455 V C -0.859 175.315 176.094 0.133 0.000 1.030 455 V CA -0.496 61.870 62.300 0.110 0.000 0.881 455 V CB 1.494 33.346 31.823 0.048 0.000 0.983 455 V HN 0.830 nan 8.190 nan 0.000 0.445 456 D N 3.905 124.393 120.400 0.147 0.000 2.392 456 D HA 0.662 5.301 4.640 -0.001 0.000 0.228 456 D C 0.390 176.741 176.300 0.084 0.000 1.074 456 D CA -0.025 54.062 54.000 0.144 0.000 0.838 456 D CB 1.902 42.834 40.800 0.221 0.000 1.067 456 D HN 0.888 nan 8.370 nan 0.000 0.511 457 A N 2.703 125.570 122.820 0.078 0.000 2.535 457 A HA 0.163 4.482 4.320 -0.001 0.000 0.273 457 A C 1.153 178.785 177.584 0.079 0.000 1.267 457 A CA 0.128 52.206 52.037 0.068 0.000 0.940 457 A CB -0.000 19.032 19.000 0.055 0.000 1.101 457 A HN 0.518 nan 8.150 nan 0.000 0.521 458 T N -5.208 109.405 114.554 0.099 0.000 3.043 458 T HA 0.165 4.514 4.350 -0.001 0.000 0.272 458 T C 1.211 175.991 174.700 0.134 0.000 0.990 458 T CA 0.489 62.651 62.100 0.102 0.000 0.897 458 T CB -0.365 68.555 68.868 0.087 0.000 1.111 458 T HN 0.377 nan 8.240 nan 0.000 0.529 459 H N 1.724 120.799 119.070 0.009 0.000 2.260 459 H HA 0.392 4.948 4.556 -0.001 0.000 0.304 459 H C 0.506 175.851 175.328 0.028 0.000 1.059 459 H CA 0.765 56.764 56.048 -0.082 0.000 1.305 459 H CB -0.289 29.346 29.762 -0.212 0.000 1.388 459 H HN 0.332 nan 8.280 nan 0.000 0.496 460 I N 0.757 121.395 120.570 0.113 0.000 2.683 460 I HA 0.047 4.217 4.170 -0.001 0.000 0.286 460 I C 1.212 177.420 176.117 0.152 0.000 1.175 460 I CA 0.979 62.373 61.300 0.157 0.000 1.429 460 I CB 0.763 38.853 38.000 0.150 0.000 1.371 460 I HN 0.757 nan 8.210 nan 0.000 0.569 461 G N 4.949 113.862 108.800 0.189 0.000 2.160 461 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.244 461 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.244 461 G C 1.145 176.111 174.900 0.111 0.000 1.022 461 G CA -0.176 44.996 45.100 0.119 0.000 0.741 461 G HN 0.616 nan 8.290 nan 0.000 0.508 462 K N -0.894 119.611 120.400 0.174 0.000 2.044 462 K HA 0.052 4.371 4.320 -0.001 0.000 0.210 462 K C 1.160 177.801 176.600 0.068 0.000 1.049 462 K CA 1.201 57.572 56.287 0.139 0.000 0.927 462 K CB -0.063 32.562 32.500 0.209 0.000 0.713 462 K HN 0.561 nan 8.250 nan 0.000 0.443 463 L N 0.409 121.677 121.223 0.076 0.000 2.526 463 L HA 0.391 4.730 4.340 -0.001 0.000 0.263 463 L C -1.547 175.350 176.870 0.047 0.000 0.943 463 L CA -0.491 54.379 54.840 0.050 0.000 0.859 463 L CB 1.845 43.920 42.059 0.026 0.000 1.313 463 L HN -0.056 nan 8.230 nan 0.000 0.406 464 I N 4.651 125.181 120.570 -0.066 0.000 2.436 464 I HA 0.562 4.731 4.170 -0.001 0.000 0.289 464 I C -0.684 175.321 176.117 -0.186 0.000 1.010 464 I CA -0.631 60.541 61.300 -0.213 0.000 1.098 464 I CB 2.202 40.036 38.000 -0.277 0.000 1.266 464 I HN 0.246 nan 8.210 nan 0.000 0.434 465 V N 4.959 124.716 119.914 -0.262 0.000 3.078 465 V HA 0.692 4.811 4.120 -0.001 0.000 0.311 465 V C -0.687 175.183 176.094 -0.372 0.000 1.138 465 V CA -0.121 61.989 62.300 -0.316 0.000 1.007 465 V CB 2.807 34.416 31.823 -0.357 0.000 1.045 465 V HN 0.809 nan 8.190 nan 0.000 0.432 466 T N 2.854 117.182 114.554 -0.376 0.000 2.843 466 T HA 0.415 4.765 4.350 -0.001 0.000 0.302 466 T C -1.020 173.617 174.700 -0.106 0.000 1.232 466 T CA -0.582 61.404 62.100 -0.189 0.000 1.009 466 T CB 1.711 70.491 68.868 -0.146 0.000 1.254 466 T HN 0.903 nan 8.240 nan 0.000 0.504 467 K N 1.910 122.465 120.400 0.258 0.000 2.258 467 K HA 0.303 4.623 4.320 -0.001 0.000 0.264 467 K C 0.424 177.111 176.600 0.145 0.000 1.007 467 K CA -0.392 56.098 56.287 0.338 0.000 0.941 467 K CB 0.529 33.236 32.500 0.344 0.000 0.966 467 K HN 0.708 nan 8.250 nan 0.000 0.480 468 Q N 2.647 122.511 119.800 0.107 0.000 2.317 468 Q HA 0.129 4.468 4.340 -0.001 0.000 0.229 468 Q C 0.903 176.910 176.000 0.011 0.000 0.984 468 Q CA -0.541 55.286 55.803 0.041 0.000 0.911 468 Q CB 0.878 29.625 28.738 0.017 0.000 1.217 468 Q HN 0.681 nan 8.270 nan 0.000 0.501 469 I N 0.951 121.497 120.570 -0.040 0.000 2.163 469 I HA -0.195 3.974 4.170 -0.001 0.000 0.240 469 I C 2.027 178.091 176.117 -0.088 0.000 1.081 469 I CA 1.571 62.802 61.300 -0.116 0.000 1.353 469 I CB -0.717 37.195 38.000 -0.146 0.000 1.054 469 I HN 1.009 nan 8.210 nan 0.000 0.407 470 G N -0.084 108.679 108.800 -0.063 0.000 2.666 470 G HA2 0.001 3.960 3.960 -0.001 0.000 0.215 470 G HA3 0.001 3.960 3.960 -0.001 0.000 0.215 470 G C 0.879 175.738 174.900 -0.068 0.000 1.294 470 G CA 0.951 46.013 45.100 -0.063 0.000 0.811 470 G HN 0.513 nan 8.290 nan 0.000 0.594 471 G N -1.284 107.491 108.800 -0.043 0.000 3.264 471 G HA2 0.412 4.372 3.960 -0.001 0.000 0.168 471 G HA3 0.412 4.372 3.960 -0.001 0.000 0.168 471 G C -0.331 174.576 174.900 0.012 0.000 1.145 471 G CA 0.299 45.374 45.100 -0.041 0.000 0.855 471 G HN 0.058 nan 8.290 nan 0.000 0.629 472 D N 0.618 121.033 120.400 0.025 0.000 2.324 472 D HA 0.201 4.840 4.640 -0.001 0.000 0.235 472 D C 1.337 177.711 176.300 0.124 0.000 1.095 472 D CA 0.248 54.282 54.000 0.057 0.000 0.871 472 D CB 0.057 40.871 40.800 0.024 0.000 0.906 472 D HN 0.365 nan 8.370 nan 0.000 0.522 473 G N 0.647 109.514 108.800 0.112 0.000 2.588 473 G HA2 0.471 4.430 3.960 -0.001 0.000 0.281 473 G HA3 0.471 4.430 3.960 -0.001 0.000 0.281 473 G C 0.278 175.282 174.900 0.174 0.000 1.236 473 G CA -0.614 44.563 45.100 0.129 0.000 0.969 473 G HN 0.148 nan 8.290 nan 0.000 0.504 474 M N -0.880 118.735 119.600 0.024 0.000 2.598 474 M HA 0.771 5.250 4.480 -0.001 0.000 0.317 474 M C -0.766 175.425 176.300 -0.181 0.000 1.201 474 M CA -0.743 54.411 55.300 -0.244 0.000 0.971 474 M CB 2.306 34.552 32.600 -0.590 0.000 1.657 474 M HN 0.408 nan 8.290 nan 0.000 0.470 475 M N 2.743 122.205 119.600 -0.229 0.000 2.151 475 M HA 0.264 4.743 4.480 -0.001 0.000 0.290 475 M C -1.458 174.740 176.300 -0.170 0.000 0.965 475 M CA -0.442 54.774 55.300 -0.140 0.000 0.930 475 M CB 1.555 34.105 32.600 -0.082 0.000 1.560 475 M HN 0.840 nan 8.290 nan 0.000 0.438 476 D N 5.769 126.090 120.400 -0.131 0.000 2.346 476 D HA 0.157 4.797 4.640 -0.001 0.000 0.260 476 D C 0.602 176.859 176.300 -0.072 0.000 1.252 476 D CA 0.130 54.064 54.000 -0.110 0.000 0.895 476 D CB 0.475 41.227 40.800 -0.081 0.000 1.097 476 D HN 0.739 nan 8.370 nan 0.000 0.489 477 I N 0.566 121.095 120.570 -0.068 0.000 3.927 477 I HA 0.101 4.271 4.170 -0.001 0.000 0.332 477 I C 1.205 177.360 176.117 0.064 0.000 1.485 477 I CA -0.512 60.779 61.300 -0.015 0.000 1.131 477 I CB 0.268 38.246 38.000 -0.036 0.000 1.092 477 I HN -0.008 nan 8.210 nan 0.000 0.410 478 T N 1.722 116.294 114.554 0.030 0.000 2.778 478 T HA -0.201 4.148 4.350 -0.001 0.000 0.269 478 T C 1.555 176.302 174.700 0.079 0.000 1.050 478 T CA 2.169 64.306 62.100 0.062 0.000 1.137 478 T CB -0.439 68.439 68.868 0.017 0.000 0.860 478 T HN 0.696 nan 8.240 nan 0.000 0.468 479 D N 1.569 121.987 120.400 0.029 0.000 2.363 479 D HA -0.067 4.572 4.640 -0.001 0.000 0.226 479 D C 1.754 178.014 176.300 -0.067 0.000 1.020 479 D CA 1.106 55.093 54.000 -0.022 0.000 0.892 479 D CB -0.397 40.393 40.800 -0.017 0.000 0.900 479 D HN 0.531 nan 8.370 nan 0.000 0.531 480 T N -3.125 111.422 114.554 -0.011 0.000 3.054 480 T HA -0.006 4.344 4.350 -0.001 0.000 0.259 480 T C 1.629 176.210 174.700 -0.198 0.000 1.092 480 T CA 0.278 62.324 62.100 -0.090 0.000 1.121 480 T CB -0.508 68.310 68.868 -0.084 0.000 0.912 480 T HN 0.086 nan 8.240 nan 0.000 0.489 481 Y N 2.438 122.717 120.300 -0.035 0.000 2.479 481 Y HA 0.371 4.920 4.550 -0.001 0.000 0.283 481 Y C 1.067 176.911 175.900 -0.093 0.000 1.109 481 Y CA -0.065 58.028 58.100 -0.011 0.000 1.239 481 Y CB 0.459 38.941 38.460 0.037 0.000 1.108 481 Y HN 0.296 nan 8.280 nan 0.000 0.548 482 K N -1.532 118.867 120.400 -0.002 0.000 2.556 482 K HA 0.355 4.675 4.320 -0.001 0.000 0.274 482 K C -1.410 175.086 176.600 -0.173 0.000 0.966 482 K CA -0.768 55.464 56.287 -0.093 0.000 0.865 482 K CB 1.133 33.641 32.500 0.014 0.000 1.444 482 K HN -0.182 nan 8.250 nan 0.000 0.433 483 F N 1.068 121.026 119.950 0.012 0.000 2.284 483 F HA 0.213 4.739 4.527 -0.001 0.000 0.297 483 F C 0.810 176.617 175.800 0.013 0.000 1.215 483 F CA -0.193 57.808 58.000 0.002 0.000 1.120 483 F CB 0.442 39.427 39.000 -0.024 0.000 1.426 483 F HN 0.413 nan 8.300 nan 0.000 0.514 484 Q N 0.347 120.290 119.800 0.239 0.000 2.340 484 Q HA 0.193 4.532 4.340 -0.001 0.000 0.249 484 Q C -0.676 175.389 176.000 0.109 0.000 0.957 484 Q CA -0.365 55.516 55.803 0.130 0.000 0.882 484 Q CB 0.581 29.378 28.738 0.099 0.000 1.235 484 Q HN 0.348 nan 8.270 nan 0.000 0.439 485 E N 0.391 120.639 120.200 0.080 0.000 2.414 485 E HA 0.299 4.648 4.350 -0.001 0.000 0.263 485 E C 0.692 177.323 176.600 0.051 0.000 1.000 485 E CA 1.279 57.718 56.400 0.065 0.000 0.914 485 E CB 0.013 29.747 29.700 0.057 0.000 0.948 485 E HN 0.626 nan 8.360 nan 0.000 0.444 486 G N 3.548 112.373 108.800 0.041 0.000 4.240 486 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.254 486 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.254 486 G C -0.493 174.416 174.900 0.014 0.000 1.712 486 G CA -0.148 44.968 45.100 0.027 0.000 1.374 486 G HN 0.621 nan 8.290 nan 0.000 0.631 487 Q N 1.893 121.701 119.800 0.013 0.000 2.492 487 Q HA 0.017 4.356 4.340 -0.001 0.000 0.366 487 Q C 1.685 177.648 176.000 -0.062 0.000 1.172 487 Q CA 0.768 56.560 55.803 -0.018 0.000 1.089 487 Q CB 0.298 29.030 28.738 -0.010 0.000 1.174 487 Q HN 0.728 nan 8.270 nan 0.000 0.421 488 E N 2.341 122.489 120.200 -0.086 0.000 2.086 488 E HA -0.250 4.099 4.350 -0.001 0.000 0.200 488 E C 1.451 177.931 176.600 -0.201 0.000 1.012 488 E CA 1.727 58.059 56.400 -0.114 0.000 0.812 488 E CB 0.185 29.825 29.700 -0.100 0.000 0.743 488 E HN 0.625 nan 8.360 nan 0.000 0.453 489 E N 0.868 120.847 120.200 -0.367 0.000 2.110 489 E HA -0.232 4.117 4.350 -0.001 0.000 0.193 489 E C 2.000 178.277 176.600 -0.538 0.000 0.988 489 E CA 1.509 57.473 56.400 -0.726 0.000 0.804 489 E CB -0.403 28.314 29.700 -1.639 0.000 0.745 489 E HN 0.526 nan 8.360 nan 0.000 0.458 490 E N 1.679 121.743 120.200 -0.227 0.000 2.106 490 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 490 E C 2.342 178.960 176.600 0.030 0.000 0.984 490 E CA 0.863 57.298 56.400 0.058 0.000 0.806 490 E CB -0.196 29.576 29.700 0.119 0.000 0.750 490 E HN 0.105 nan 8.360 nan 0.000 0.458 491 R N 0.464 120.948 120.500 -0.027 0.000 2.062 491 R HA -0.063 4.276 4.340 -0.001 0.000 0.231 491 R C 2.500 178.787 176.300 -0.022 0.000 1.136 491 R CA 1.455 57.547 56.100 -0.013 0.000 0.948 491 R CB -0.467 29.817 30.300 -0.028 0.000 0.845 491 R HN 0.390 nan 8.270 nan 0.000 0.430 492 L N 0.509 121.693 121.223 -0.064 0.000 2.046 492 L HA -0.171 4.169 4.340 -0.001 0.000 0.208 492 L C 2.526 179.376 176.870 -0.033 0.000 1.077 492 L CA 1.483 56.287 54.840 -0.060 0.000 0.747 492 L CB -0.457 41.549 42.059 -0.088 0.000 0.896 492 L HN 0.319 nan 8.230 nan 0.000 0.432 493 A N -0.200 122.618 122.820 -0.003 0.000 1.892 493 A HA -0.296 4.023 4.320 -0.001 0.000 0.218 493 A C 2.159 179.812 177.584 0.116 0.000 1.188 493 A CA 2.093 54.185 52.037 0.093 0.000 0.631 493 A CB -0.863 18.284 19.000 0.244 0.000 0.822 493 A HN 0.438 nan 8.150 nan 0.000 0.447 494 L N 0.030 121.334 121.223 0.135 0.000 2.083 494 L HA -0.173 4.166 4.340 -0.001 0.000 0.209 494 L C 2.406 179.272 176.870 -0.007 0.000 1.083 494 L CA 2.289 57.208 54.840 0.132 0.000 0.752 494 L CB -0.428 41.702 42.059 0.119 0.000 0.899 494 L HN 0.498 nan 8.230 nan 0.000 0.433 495 E N -1.284 118.893 120.200 -0.037 0.000 2.072 495 E HA -0.164 4.185 4.350 -0.001 0.000 0.190 495 E C 1.989 178.497 176.600 -0.154 0.000 0.982 495 E CA 1.696 58.043 56.400 -0.088 0.000 0.803 495 E CB -0.578 29.077 29.700 -0.075 0.000 0.755 495 E HN 0.511 nan 8.360 nan 0.000 0.453 496 T N 1.578 116.049 114.554 -0.139 0.000 2.803 496 T HA -0.125 4.224 4.350 -0.001 0.000 0.269 496 T C 2.011 176.565 174.700 -0.244 0.000 1.052 496 T CA 1.362 63.353 62.100 -0.182 0.000 1.136 496 T CB -0.148 68.639 68.868 -0.135 0.000 0.864 496 T HN 0.278 nan 8.240 nan 0.000 0.467 497 A N 1.336 123.996 122.820 -0.267 0.000 1.854 497 A HA 0.098 4.417 4.320 -0.001 0.000 0.214 497 A C 2.114 179.507 177.584 -0.318 0.000 1.192 497 A CA 0.838 52.630 52.037 -0.407 0.000 0.611 497 A CB -0.786 17.749 19.000 -0.775 0.000 0.832 497 A HN 0.324 nan 8.150 nan 0.000 0.442 498 L N 0.115 121.188 121.223 -0.249 0.000 2.189 498 L HA -0.210 4.129 4.340 -0.001 0.000 0.214 498 L C 2.643 179.382 176.870 -0.218 0.000 1.097 498 L CA 2.395 57.119 54.840 -0.194 0.000 0.764 498 L CB -0.798 41.178 42.059 -0.137 0.000 0.900 498 L HN 0.733 nan 8.230 nan 0.000 0.436 499 M N -4.660 114.744 119.600 -0.328 0.000 2.556 499 M HA 0.020 4.499 4.480 -0.001 0.000 0.245 499 M C 0.326 176.359 176.300 -0.445 0.000 1.128 499 M CA 1.118 56.163 55.300 -0.426 0.000 1.069 499 M CB 0.059 32.314 32.600 -0.575 0.000 1.469 499 M HN -0.024 nan 8.290 nan 0.000 0.494 500 Y N 0.872 121.076 120.300 -0.160 0.000 2.713 500 Y HA 0.604 5.153 4.550 -0.002 0.000 0.269 500 Y C 1.139 176.922 175.900 -0.195 0.000 1.106 500 Y CA -0.475 57.519 58.100 -0.176 0.000 1.174 500 Y CB 0.586 38.921 38.460 -0.208 0.000 1.186 500 Y HN 0.461 nan 8.280 nan 0.000 0.555 501 G N -0.066 108.697 108.800 -0.062 0.000 3.753 501 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.196 501 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.196 501 G C 0.405 175.198 174.900 -0.178 0.000 1.538 501 G CA -0.413 44.615 45.100 -0.120 0.000 1.040 501 G HN 0.472 nan 8.290 nan 0.000 0.427 502 A N 1.693 124.370 122.820 -0.239 0.000 2.580 502 A HA 0.467 4.786 4.320 -0.001 0.000 0.244 502 A C 0.500 177.997 177.584 -0.145 0.000 1.045 502 A CA 1.189 53.091 52.037 -0.225 0.000 0.761 502 A CB -0.153 18.680 19.000 -0.279 0.000 0.962 502 A HN 0.603 nan 8.150 nan 0.000 0.512 503 K N 1.522 121.854 120.400 -0.114 0.000 2.118 503 K HA 0.597 4.916 4.320 -0.001 0.000 0.254 503 K C -0.238 176.329 176.600 -0.054 0.000 0.961 503 K CA -0.581 55.659 56.287 -0.078 0.000 0.876 503 K CB 1.589 34.049 32.500 -0.067 0.000 1.077 503 K HN 0.606 nan 8.250 nan 0.000 0.440 504 K N 2.726 123.099 120.400 -0.045 0.000 3.098 504 K HA 0.120 4.439 4.320 -0.001 0.000 0.204 504 K C -2.140 174.441 176.600 -0.031 0.000 1.210 504 K CA -1.067 55.201 56.287 -0.032 0.000 0.899 504 K CB 0.604 33.088 32.500 -0.027 0.000 1.176 504 K HN 0.387 nan 8.250 nan 0.000 0.585 505 P HA -0.209 nan 4.420 nan 0.000 0.202 505 P C 0.524 177.809 177.300 -0.025 0.000 1.121 505 P CA 0.861 63.944 63.100 -0.029 0.000 0.939 505 P CB 0.128 31.810 31.700 -0.029 0.000 0.761 506 L N -0.418 120.790 121.223 -0.025 0.000 2.489 506 L HA 0.004 4.344 4.340 -0.001 0.000 0.285 506 L C 1.143 178.004 176.870 -0.014 0.000 1.259 506 L CA 0.765 55.594 54.840 -0.019 0.000 0.828 506 L CB -0.886 41.161 42.059 -0.021 0.000 1.094 506 L HN 0.134 nan 8.230 nan 0.000 0.524 517 N N 1.438 120.134 118.700 -0.006 0.000 2.686 517 N HA -0.143 4.596 4.740 -0.001 0.000 0.261 517 N C -0.992 174.532 175.510 0.023 0.000 1.001 517 N CA 0.682 53.739 53.050 0.013 0.000 0.764 517 N CB -0.804 37.700 38.487 0.029 0.000 0.898 517 N HN 0.387 nan 8.380 nan 0.000 0.544 518 V N 0.853 120.765 119.914 -0.003 0.000 2.465 518 V HA 0.197 4.316 4.120 -0.001 0.000 0.263 518 V C 0.211 176.323 176.094 0.030 0.000 0.981 518 V CA -0.977 61.337 62.300 0.023 0.000 0.838 518 V CB 1.218 33.029 31.823 -0.020 0.000 1.068 518 V HN 0.212 nan 8.190 nan 0.000 0.458 519 D N 3.947 124.354 120.400 0.012 0.000 2.371 519 D HA 0.602 5.242 4.640 -0.001 0.000 0.242 519 D C 0.006 176.322 176.300 0.028 0.000 1.218 519 D CA 0.138 54.138 54.000 -0.001 0.000 0.945 519 D CB 1.746 42.521 40.800 -0.041 0.000 1.137 519 D HN 0.558 nan 8.370 nan 0.000 0.464 520 M N -0.214 119.383 119.600 -0.006 0.000 2.682 520 M HA 0.566 5.045 4.480 -0.001 0.000 0.272 520 M C -1.983 174.287 176.300 -0.050 0.000 1.232 520 M CA -0.691 54.571 55.300 -0.064 0.000 0.849 520 M CB 2.893 35.468 32.600 -0.041 0.000 1.695 520 M HN 0.117 nan 8.290 nan 0.000 0.481 521 D N 0.521 120.884 120.400 -0.060 0.000 2.884 521 D HA 0.608 5.248 4.640 -0.001 0.000 0.255 521 D C -2.148 174.220 176.300 0.114 0.000 1.142 521 D CA -0.299 53.730 54.000 0.048 0.000 0.726 521 D CB 1.303 42.094 40.800 -0.016 0.000 1.436 521 D HN 0.811 nan 8.370 nan 0.000 0.441 522 F N 0.440 120.337 119.950 -0.087 0.000 2.588 522 F HA 0.740 5.266 4.527 -0.001 0.000 0.310 522 F C -1.004 174.768 175.800 -0.047 0.000 1.082 522 F CA -0.919 57.032 58.000 -0.082 0.000 0.929 522 F CB 1.545 40.484 39.000 -0.101 0.000 1.254 522 F HN 0.188 nan 8.300 nan 0.000 0.455 523 E N 2.273 122.419 120.200 -0.090 0.000 2.238 523 E HA 0.649 4.998 4.350 -0.001 0.000 0.267 523 E C -1.768 174.796 176.600 -0.060 0.000 0.887 523 E CA -1.008 55.294 56.400 -0.163 0.000 0.769 523 E CB 2.543 32.195 29.700 -0.080 0.000 1.187 523 E HN 0.556 nan 8.360 nan 0.000 0.416 524 V N 2.100 121.967 119.914 -0.079 0.000 2.472 524 V HA 0.176 4.296 4.120 -0.001 0.000 0.290 524 V C -0.081 176.017 176.094 0.008 0.000 1.037 524 V CA -0.813 61.490 62.300 0.007 0.000 0.908 524 V CB 1.155 32.989 31.823 0.018 0.000 0.985 524 V HN 0.816 nan 8.190 nan 0.000 0.454 525 E N 4.122 124.363 120.200 0.068 0.000 2.014 525 E HA 0.243 4.592 4.350 -0.001 0.000 0.275 525 E C -0.068 176.510 176.600 -0.038 0.000 0.997 525 E CA -0.570 55.850 56.400 0.034 0.000 0.804 525 E CB 0.110 29.856 29.700 0.076 0.000 1.090 525 E HN 0.740 nan 8.360 nan 0.000 0.401 526 N N 2.957 121.589 118.700 -0.114 0.000 2.365 526 N HA 0.030 4.769 4.740 -0.001 0.000 0.265 526 N C -0.387 175.006 175.510 -0.196 0.000 1.288 526 N CA 0.047 52.966 53.050 -0.218 0.000 0.869 526 N CB 0.813 39.209 38.487 -0.151 0.000 1.071 526 N HN 0.534 nan 8.380 nan 0.000 0.480 527 A N 2.760 125.380 122.820 -0.333 0.000 2.248 527 A HA 0.554 4.873 4.320 -0.001 0.000 0.316 527 A C 0.098 177.631 177.584 -0.085 0.000 1.101 527 A CA -0.785 51.169 52.037 -0.138 0.000 0.875 527 A CB 1.047 20.021 19.000 -0.043 0.000 1.207 527 A HN 0.505 nan 8.150 nan 0.000 0.504 528 V N 1.325 121.245 119.914 0.011 0.000 2.716 528 V HA 0.197 4.316 4.120 -0.001 0.000 0.304 528 V C 0.399 176.544 176.094 0.085 0.000 1.053 528 V CA -0.764 61.555 62.300 0.031 0.000 0.984 528 V CB 1.578 33.426 31.823 0.041 0.000 1.021 528 V HN 0.783 nan 8.190 nan 0.000 0.467 529 L N 4.373 125.649 121.223 0.088 0.000 2.628 529 L HA 0.245 4.584 4.340 -0.001 0.000 0.274 529 L C 1.104 178.070 176.870 0.160 0.000 1.209 529 L CA 1.890 56.818 54.840 0.146 0.000 0.930 529 L CB -0.589 41.536 42.059 0.111 0.000 1.183 529 L HN 1.071 nan 8.230 nan 0.000 0.492 530 G N 3.991 112.937 108.800 0.243 0.000 2.176 530 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.232 530 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.232 530 G C 0.222 175.212 174.900 0.150 0.000 0.986 530 G CA -0.045 45.133 45.100 0.130 0.000 0.643 530 G HN 0.565 nan 8.290 nan 0.000 0.522 531 K N 0.858 121.404 120.400 0.244 0.000 2.166 531 K HA 0.575 4.894 4.320 -0.001 0.000 0.245 531 K C -0.499 176.308 176.600 0.345 0.000 0.967 531 K CA -0.845 55.574 56.287 0.220 0.000 0.863 531 K CB 1.180 33.782 32.500 0.169 0.000 1.107 531 K HN 0.095 nan 8.250 nan 0.000 0.436 532 D N 0.949 121.498 120.400 0.248 0.000 2.344 532 D HA 0.410 5.049 4.640 -0.001 0.000 0.244 532 D C -0.013 176.473 176.300 0.310 0.000 1.134 532 D CA 0.197 54.338 54.000 0.235 0.000 0.930 532 D CB 0.293 41.160 40.800 0.110 0.000 1.175 532 D HN 0.343 nan 8.370 nan 0.000 0.437 533 F N -2.268 117.760 119.950 0.130 0.000 2.789 533 F HA 0.606 5.133 4.527 -0.001 0.000 0.319 533 F C -1.208 174.633 175.800 0.068 0.000 1.168 533 F CA -1.183 56.867 58.000 0.084 0.000 0.934 533 F CB 1.311 40.353 39.000 0.070 0.000 1.375 533 F HN -0.055 nan 8.300 nan 0.000 0.480 534 K N 1.336 121.874 120.400 0.231 0.000 2.318 534 K HA 0.698 5.017 4.320 -0.001 0.000 0.249 534 K C -1.891 174.803 176.600 0.158 0.000 0.942 534 K CA -0.919 55.412 56.287 0.073 0.000 0.808 534 K CB 2.733 35.272 32.500 0.066 0.000 1.189 534 K HN 0.760 nan 8.250 nan 0.000 0.428 535 L N 1.256 122.491 121.223 0.019 0.000 2.325 535 L HA 0.361 4.700 4.340 -0.001 0.000 0.281 535 L C -1.049 175.844 176.870 0.038 0.000 1.004 535 L CA -0.216 54.631 54.840 0.012 0.000 0.823 535 L CB 1.779 43.751 42.059 -0.144 0.000 1.236 535 L HN 0.541 nan 8.230 nan 0.000 0.415 536 S N 5.891 121.639 115.700 0.080 0.000 2.577 536 S HA 0.517 4.986 4.470 -0.001 0.000 0.294 536 S C -0.252 174.407 174.600 0.099 0.000 1.161 536 S CA -0.454 57.785 58.200 0.065 0.000 1.143 536 S CB 0.263 63.489 63.200 0.044 0.000 0.991 536 S HN 0.397 nan 8.310 nan 0.000 0.475 537 I N 3.072 123.687 120.570 0.074 0.000 2.474 537 I HA 0.374 4.543 4.170 -0.001 0.000 0.287 537 I C 0.748 176.817 176.117 -0.079 0.000 1.048 537 I CA -0.235 61.074 61.300 0.015 0.000 1.383 537 I CB 1.094 39.056 38.000 -0.062 0.000 1.412 537 I HN 0.439 nan 8.210 nan 0.000 0.531 538 T N 3.641 118.113 114.554 -0.137 0.000 2.879 538 T HA 0.626 4.976 4.350 -0.001 0.000 0.290 538 T C -0.608 173.973 174.700 -0.199 0.000 0.993 538 T CA -0.554 61.533 62.100 -0.020 0.000 0.975 538 T CB 0.847 69.873 68.868 0.263 0.000 0.981 538 T HN 0.256 nan 8.240 nan 0.000 0.439 539 F N 1.842 121.861 119.950 0.115 0.000 2.450 539 F HA 0.850 5.376 4.527 -0.001 0.000 0.361 539 F C 1.114 176.861 175.800 -0.088 0.000 1.092 539 F CA -1.271 56.746 58.000 0.029 0.000 1.105 539 F CB 1.109 40.145 39.000 0.060 0.000 1.458 539 F HN 0.565 nan 8.300 nan 0.000 0.496 540 R N 0.555 121.131 120.500 0.127 0.000 2.907 540 R HA 0.159 4.498 4.340 -0.001 0.000 0.246 540 R C -2.132 174.179 176.300 0.018 0.000 1.082 540 R CA -0.734 55.325 56.100 -0.069 0.000 1.003 540 R CB 1.314 31.407 30.300 -0.345 0.000 1.261 540 R HN 0.621 nan 8.270 nan 0.000 0.474 541 N N 2.630 121.348 118.700 0.030 0.000 2.479 541 N HA 0.135 4.874 4.740 -0.001 0.000 0.261 541 N C -0.248 175.260 175.510 -0.003 0.000 0.979 541 N CA -0.214 52.873 53.050 0.062 0.000 0.930 541 N CB 1.255 39.799 38.487 0.095 0.000 1.172 541 N HN 0.730 nan 8.380 nan 0.000 0.499 542 N N 2.149 120.841 118.700 -0.013 0.000 2.148 542 N HA -0.118 4.621 4.740 -0.001 0.000 0.186 542 N C 0.448 175.852 175.510 -0.177 0.000 1.031 542 N CA 0.546 53.550 53.050 -0.075 0.000 0.848 542 N CB 0.095 38.552 38.487 -0.050 0.000 1.005 542 N HN 0.628 nan 8.380 nan 0.000 0.427 543 S N -0.025 115.616 115.700 -0.099 0.000 2.580 543 S HA -0.072 4.397 4.470 -0.001 0.000 0.261 543 S C -0.041 174.368 174.600 -0.319 0.000 1.366 543 S CA -0.034 58.058 58.200 -0.180 0.000 0.996 543 S CB -0.028 63.213 63.200 0.067 0.000 0.902 543 S HN 0.388 nan 8.310 nan 0.000 0.566 544 H N 0.524 119.564 119.070 -0.049 0.000 2.595 544 H HA 0.484 5.039 4.556 -0.001 0.000 0.264 544 H C -0.558 174.680 175.328 -0.150 0.000 1.503 544 H CA -0.614 55.390 56.048 -0.074 0.000 1.142 544 H CB -0.819 28.916 29.762 -0.045 0.000 1.554 544 H HN 0.375 nan 8.280 nan 0.000 0.501 545 N N 1.120 119.693 118.700 -0.212 0.000 2.238 545 N HA 0.207 4.946 4.740 -0.001 0.000 0.302 545 N C -0.503 174.726 175.510 -0.467 0.000 1.072 545 N CA -0.817 51.975 53.050 -0.429 0.000 0.792 545 N CB 2.397 40.354 38.487 -0.883 0.000 1.425 545 N HN 0.327 nan 8.380 nan 0.000 0.478 546 R N 2.422 122.732 120.500 -0.317 0.000 2.248 546 R HA 0.204 4.543 4.340 -0.001 0.000 0.337 546 R C -0.808 175.376 176.300 -0.194 0.000 1.106 546 R CA -0.157 55.830 56.100 -0.188 0.000 0.959 546 R CB -0.052 30.192 30.300 -0.094 0.000 1.075 546 R HN 0.424 nan 8.270 nan 0.000 0.480 547 Y N 1.131 121.417 120.300 -0.024 0.000 2.408 547 Y HA 0.356 4.905 4.550 -0.001 0.000 0.324 547 Y C 0.538 176.406 175.900 -0.054 0.000 1.302 547 Y CA -0.482 57.598 58.100 -0.034 0.000 1.384 547 Y CB 1.855 40.293 38.460 -0.036 0.000 1.367 547 Y HN 0.385 nan 8.280 nan 0.000 0.525 548 T N 2.421 117.071 114.554 0.161 0.000 3.011 548 T HA 0.556 4.905 4.350 -0.001 0.000 0.303 548 T C -0.747 173.937 174.700 -0.027 0.000 0.997 548 T CA -0.529 61.589 62.100 0.028 0.000 1.007 548 T CB 0.635 69.518 68.868 0.024 0.000 1.017 548 T HN 0.305 nan 8.240 nan 0.000 0.443 549 I N 1.937 122.447 120.570 -0.101 0.000 2.648 549 I HA 0.561 4.730 4.170 -0.001 0.000 0.304 549 I C -0.079 175.962 176.117 -0.127 0.000 1.009 549 I CA -0.826 60.390 61.300 -0.140 0.000 1.114 549 I CB 2.306 40.132 38.000 -0.290 0.000 1.293 549 I HN 0.512 nan 8.210 nan 0.000 0.449 550 T N 4.194 118.674 114.554 -0.124 0.000 3.077 550 T HA 0.502 4.851 4.350 -0.001 0.000 0.359 550 T C -0.279 174.214 174.700 -0.346 0.000 1.108 550 T CA -0.445 61.527 62.100 -0.214 0.000 1.170 550 T CB 1.019 69.794 68.868 -0.155 0.000 1.045 550 T HN 0.646 nan 8.240 nan 0.000 0.505 551 A N 2.942 125.542 122.820 -0.366 0.000 2.302 551 A HA 0.847 5.166 4.320 -0.001 0.000 0.285 551 A C -1.184 175.874 177.584 -0.877 0.000 1.105 551 A CA -0.386 51.416 52.037 -0.392 0.000 0.816 551 A CB 0.539 19.503 19.000 -0.061 0.000 1.067 551 A HN 0.724 nan 8.150 nan 0.000 0.489 552 Y N -0.024 120.076 120.300 -0.332 0.000 2.499 552 Y HA 0.606 5.155 4.550 -0.001 0.000 0.347 552 Y C -0.285 175.443 175.900 -0.287 0.000 0.987 552 Y CA -0.878 57.042 58.100 -0.300 0.000 1.044 552 Y CB 2.202 40.562 38.460 -0.166 0.000 1.245 552 Y HN 0.551 nan 8.280 nan 0.000 0.461 553 L N 3.023 124.193 121.223 -0.088 0.000 2.441 553 L HA 0.575 4.914 4.340 -0.001 0.000 0.270 553 L C -1.371 175.499 176.870 0.000 0.000 0.973 553 L CA -0.088 54.697 54.840 -0.091 0.000 0.842 553 L CB 1.649 43.612 42.059 -0.160 0.000 1.239 553 L HN 0.651 nan 8.230 nan 0.000 0.406 554 S N 4.314 120.062 115.700 0.080 0.000 2.552 554 S HA 0.888 5.357 4.470 -0.001 0.000 0.314 554 S C -0.561 174.099 174.600 0.099 0.000 1.099 554 S CA -0.230 58.030 58.200 0.101 0.000 1.070 554 S CB 1.369 64.697 63.200 0.213 0.000 0.998 554 S HN 0.896 nan 8.310 nan 0.000 0.474 555 A N 5.058 127.822 122.820 -0.094 0.000 2.318 555 A HA 0.744 5.063 4.320 -0.001 0.000 0.317 555 A C -0.572 176.877 177.584 -0.225 0.000 1.159 555 A CA -0.832 51.061 52.037 -0.240 0.000 0.799 555 A CB 0.757 19.426 19.000 -0.552 0.000 1.194 555 A HN 0.860 nan 8.150 nan 0.000 0.479 556 N N 1.668 120.431 118.700 0.105 0.000 2.238 556 N HA 0.430 5.169 4.740 -0.001 0.000 0.302 556 N C -1.397 174.299 175.510 0.309 0.000 1.072 556 N CA -0.484 52.736 53.050 0.283 0.000 0.792 556 N CB 2.146 40.746 38.487 0.188 0.000 1.425 556 N HN 0.484 nan 8.380 nan 0.000 0.478 557 I N 1.495 122.222 120.570 0.262 0.000 2.416 557 I HA 0.097 4.266 4.170 -0.001 0.000 0.288 557 I C 0.924 177.047 176.117 0.009 0.000 1.051 557 I CA 0.397 61.726 61.300 0.048 0.000 1.375 557 I CB 0.716 38.703 38.000 -0.020 0.000 1.407 557 I HN 0.555 nan 8.210 nan 0.000 0.516 558 T N 2.450 116.986 114.554 -0.029 0.000 2.887 558 T HA 0.631 4.980 4.350 -0.001 0.000 0.292 558 T C -0.278 174.371 174.700 -0.085 0.000 1.087 558 T CA -0.774 61.316 62.100 -0.018 0.000 1.009 558 T CB 1.025 69.926 68.868 0.055 0.000 1.203 558 T HN 0.053 nan 8.240 nan 0.000 0.518 559 F N 0.662 120.609 119.950 -0.005 0.000 2.380 559 F HA 0.365 4.891 4.527 -0.001 0.000 0.319 559 F C 1.638 177.438 175.800 -0.001 0.000 1.113 559 F CA -0.793 57.212 58.000 0.008 0.000 1.056 559 F CB 0.614 39.569 39.000 -0.075 0.000 1.289 559 F HN 0.849 nan 8.300 nan 0.000 0.515 560 Y N -1.241 119.171 120.300 0.185 0.000 2.497 560 Y HA -0.065 4.485 4.550 -0.001 0.000 0.292 560 Y C 1.922 177.749 175.900 -0.121 0.000 1.137 560 Y CA 1.043 59.182 58.100 0.065 0.000 1.285 560 Y CB -1.561 36.932 38.460 0.056 0.000 0.991 560 Y HN 0.535 nan 8.280 nan 0.000 0.556 561 T N -3.767 110.281 114.554 -0.843 0.000 3.023 561 T HA 0.355 4.704 4.350 -0.001 0.000 0.266 561 T C 1.783 176.092 174.700 -0.652 0.000 1.093 561 T CA 0.820 62.073 62.100 -1.412 0.000 1.129 561 T CB -0.346 67.435 68.868 -1.811 0.000 0.899 561 T HN 0.807 nan 8.240 nan 0.000 0.491 562 G N 0.329 108.977 108.800 -0.254 0.000 2.284 562 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.201 562 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.201 562 G C 0.040 174.896 174.900 -0.073 0.000 0.998 562 G CA -0.241 44.801 45.100 -0.097 0.000 0.651 562 G HN 0.630 nan 8.290 nan 0.000 0.489 563 V N 4.527 124.394 119.914 -0.079 0.000 2.540 563 V HA 0.364 4.483 4.120 -0.001 0.000 0.297 563 V C -0.999 175.190 176.094 0.157 0.000 1.024 563 V CA -0.271 62.038 62.300 0.015 0.000 1.105 563 V CB 1.053 32.840 31.823 -0.060 0.000 0.938 563 V HN 0.354 nan 8.190 nan 0.000 0.482 564 P HA 0.296 nan 4.420 nan 0.000 0.282 564 P C -0.108 177.277 177.300 0.142 0.000 1.259 564 P CA -0.543 62.628 63.100 0.119 0.000 0.826 564 P CB 2.061 33.826 31.700 0.109 0.000 1.064 565 K N 0.501 120.960 120.400 0.098 0.000 2.380 565 K HA 0.375 4.694 4.320 -0.001 0.000 0.200 565 K C 0.106 176.759 176.600 0.089 0.000 1.201 565 K CA 0.406 56.744 56.287 0.085 0.000 0.916 565 K CB 0.836 33.331 32.500 -0.009 0.000 1.187 565 K HN 0.633 nan 8.250 nan 0.000 0.498 566 A N 0.663 123.549 122.820 0.110 0.000 2.601 566 A HA 0.388 4.707 4.320 -0.001 0.000 0.291 566 A C -1.783 175.922 177.584 0.201 0.000 1.075 566 A CA -0.632 51.488 52.037 0.139 0.000 0.671 566 A CB 1.215 20.294 19.000 0.133 0.000 1.277 566 A HN 0.105 nan 8.150 nan 0.000 0.417 567 E N 0.941 121.245 120.200 0.175 0.000 2.101 567 E HA 0.467 4.817 4.350 -0.001 0.000 0.260 567 E C -0.096 176.595 176.600 0.151 0.000 0.897 567 E CA -0.595 55.886 56.400 0.135 0.000 0.744 567 E CB 0.283 30.028 29.700 0.074 0.000 1.140 567 E HN 0.614 nan 8.360 nan 0.000 0.419 568 F N 3.613 123.622 119.950 0.097 0.000 2.512 568 F HA 0.333 4.859 4.527 -0.001 0.000 0.296 568 F C 0.433 176.299 175.800 0.110 0.000 1.110 568 F CA -0.208 57.856 58.000 0.106 0.000 1.446 568 F CB 0.233 39.315 39.000 0.138 0.000 1.092 568 F HN 0.103 nan 8.300 nan 0.000 0.554 569 K N 1.199 121.295 120.400 -0.506 0.000 2.601 569 K HA 0.353 4.672 4.320 -0.001 0.000 0.249 569 K C -1.653 174.821 176.600 -0.209 0.000 0.966 569 K CA -0.768 55.328 56.287 -0.317 0.000 0.827 569 K CB 1.348 33.597 32.500 -0.419 0.000 1.178 569 K HN -0.087 nan 8.250 nan 0.000 0.437 570 K N 2.763 123.117 120.400 -0.077 0.000 2.323 570 K HA 0.377 4.697 4.320 -0.001 0.000 0.259 570 K C -1.489 175.105 176.600 -0.011 0.000 0.947 570 K CA -0.369 55.900 56.287 -0.030 0.000 0.819 570 K CB 1.706 34.207 32.500 0.002 0.000 1.109 570 K HN 0.545 nan 8.250 nan 0.000 0.429 571 E N 1.054 121.243 120.200 -0.019 0.000 2.367 571 E HA 0.576 4.926 4.350 -0.001 0.000 0.273 571 E C -1.749 174.777 176.600 -0.123 0.000 0.903 571 E CA -0.540 55.844 56.400 -0.026 0.000 0.764 571 E CB 2.064 31.767 29.700 0.004 0.000 1.252 571 E HN 0.485 nan 8.360 nan 0.000 0.446 572 T N 2.728 117.188 114.554 -0.158 0.000 3.032 572 T HA 0.695 5.045 4.350 -0.001 0.000 0.312 572 T C -1.965 172.583 174.700 -0.253 0.000 1.078 572 T CA -0.579 61.292 62.100 -0.382 0.000 1.028 572 T CB 0.118 68.844 68.868 -0.237 0.000 1.091 572 T HN 0.383 nan 8.240 nan 0.000 0.457 573 F N 1.268 121.084 119.950 -0.222 0.000 2.628 573 F HA 0.697 5.223 4.527 -0.001 0.000 0.309 573 F C -1.221 174.472 175.800 -0.179 0.000 1.108 573 F CA -1.699 56.211 58.000 -0.149 0.000 0.971 573 F CB 0.415 39.371 39.000 -0.073 0.000 1.279 573 F HN 0.504 nan 8.300 nan 0.000 0.441 574 D N 1.277 121.747 120.400 0.117 0.000 2.168 574 D HA 0.661 5.300 4.640 -0.001 0.000 0.246 574 D C -0.927 175.376 176.300 0.006 0.000 1.050 574 D CA -0.729 53.279 54.000 0.014 0.000 0.857 574 D CB 2.356 43.136 40.800 -0.034 0.000 1.169 574 D HN 0.513 nan 8.370 nan 0.000 0.453 575 V N 0.788 120.651 119.914 -0.086 0.000 2.876 575 V HA 0.644 4.763 4.120 -0.001 0.000 0.312 575 V C -0.071 175.928 176.094 -0.157 0.000 1.085 575 V CA -1.004 61.202 62.300 -0.156 0.000 0.945 575 V CB 2.037 33.655 31.823 -0.341 0.000 1.017 575 V HN 0.864 nan 8.190 nan 0.000 0.428 576 T N 1.863 116.354 114.554 -0.105 0.000 2.859 576 T HA 0.830 5.179 4.350 -0.001 0.000 0.281 576 T C -0.926 173.741 174.700 -0.056 0.000 1.005 576 T CA -0.625 61.437 62.100 -0.063 0.000 1.025 576 T CB 1.693 70.539 68.868 -0.035 0.000 0.977 576 T HN 0.243 nan 8.240 nan 0.000 0.458 577 L N 2.125 123.335 121.223 -0.021 0.000 2.341 577 L HA 0.570 4.910 4.340 -0.001 0.000 0.278 577 L C 0.155 177.028 176.870 0.006 0.000 1.005 577 L CA -0.667 54.176 54.840 0.006 0.000 0.818 577 L CB 1.653 43.736 42.059 0.041 0.000 1.259 577 L HN 0.674 nan 8.230 nan 0.000 0.418 578 E N 4.426 124.633 120.200 0.010 0.000 2.390 578 E HA 0.275 4.624 4.350 -0.001 0.000 0.261 578 E C -2.357 174.236 176.600 -0.012 0.000 1.076 578 E CA -1.660 54.739 56.400 -0.003 0.000 0.905 578 E CB 0.540 30.248 29.700 0.013 0.000 0.984 578 E HN 0.232 nan 8.360 nan 0.000 0.427 579 P HA 0.088 nan 4.420 nan 0.000 0.271 579 P C -0.651 176.625 177.300 -0.041 0.000 1.226 579 P CA 0.280 63.348 63.100 -0.052 0.000 0.765 579 P CB 0.299 31.991 31.700 -0.014 0.000 0.835 580 L N 0.829 122.003 121.223 -0.082 0.000 3.664 580 L HA -0.240 4.099 4.340 -0.001 0.000 0.560 580 L C 0.594 177.471 176.870 0.012 0.000 1.285 580 L CA 0.219 55.023 54.840 -0.060 0.000 0.864 580 L CB -2.354 39.672 42.059 -0.055 0.000 1.512 580 L HN 0.529 nan 8.230 nan 0.000 0.853 581 S N -0.877 114.844 115.700 0.036 0.000 3.137 581 S HA 0.957 5.427 4.470 -0.001 0.000 0.292 581 S C -0.711 174.006 174.600 0.195 0.000 1.041 581 S CA -0.726 57.537 58.200 0.105 0.000 0.956 581 S CB 3.013 66.268 63.200 0.092 0.000 1.360 581 S HN 0.331 nan 8.310 nan 0.000 0.690 582 F N 0.232 120.209 119.950 0.046 0.000 2.704 582 F HA 0.710 5.236 4.527 -0.001 0.000 0.312 582 F C -1.732 174.113 175.800 0.076 0.000 1.108 582 F CA -0.598 57.441 58.000 0.065 0.000 1.005 582 F CB 1.831 40.856 39.000 0.042 0.000 1.277 582 F HN 0.867 nan 8.300 nan 0.000 0.445 583 K N 4.078 124.891 120.400 0.689 0.000 2.565 583 K HA 0.382 4.701 4.320 -0.001 0.000 0.251 583 K C -1.923 174.922 176.600 0.409 0.000 0.956 583 K CA -0.575 55.951 56.287 0.399 0.000 0.809 583 K CB 1.723 34.402 32.500 0.297 0.000 1.267 583 K HN 0.613 nan 8.250 nan 0.000 0.438 584 K N 3.681 124.202 120.400 0.202 0.000 2.449 584 K HA 0.280 4.599 4.320 -0.001 0.000 0.257 584 K C -0.930 175.705 176.600 0.059 0.000 0.989 584 K CA -0.431 55.935 56.287 0.132 0.000 0.916 584 K CB 0.958 33.481 32.500 0.039 0.000 1.136 584 K HN 0.563 nan 8.250 nan 0.000 0.439 585 E N 2.556 122.787 120.200 0.051 0.000 2.146 585 E HA 0.282 4.631 4.350 -0.001 0.000 0.282 585 E C -0.910 175.659 176.600 -0.052 0.000 0.989 585 E CA -0.327 56.036 56.400 -0.062 0.000 0.799 585 E CB 1.786 31.388 29.700 -0.163 0.000 1.088 585 E HN 0.678 nan 8.360 nan 0.000 0.397 586 A N 2.934 125.713 122.820 -0.069 0.000 2.325 586 A HA 0.638 4.957 4.320 -0.001 0.000 0.333 586 A C -0.545 177.013 177.584 -0.043 0.000 1.155 586 A CA -0.614 51.402 52.037 -0.036 0.000 0.814 586 A CB 1.104 20.087 19.000 -0.028 0.000 1.206 586 A HN 0.339 nan 8.150 nan 0.000 0.482 587 V N 3.014 122.914 119.914 -0.023 0.000 2.638 587 V HA 0.374 4.493 4.120 -0.001 0.000 0.306 587 V C -0.663 175.395 176.094 -0.060 0.000 1.052 587 V CA -0.633 61.652 62.300 -0.025 0.000 0.885 587 V CB 1.759 33.581 31.823 -0.001 0.000 0.999 587 V HN 0.823 nan 8.190 nan 0.000 0.424 588 L N 6.160 127.347 121.223 -0.060 0.000 2.262 588 L HA 0.543 4.882 4.340 -0.001 0.000 0.288 588 L C -0.757 176.039 176.870 -0.123 0.000 1.035 588 L CA -0.221 54.566 54.840 -0.088 0.000 0.820 588 L CB 1.154 43.189 42.059 -0.040 0.000 1.204 588 L HN 0.511 nan 8.230 nan 0.000 0.424 589 I N 4.944 125.341 120.570 -0.289 0.000 2.304 589 I HA 0.271 4.441 4.170 -0.001 0.000 0.291 589 I C 0.366 176.410 176.117 -0.121 0.000 1.018 589 I CA -0.377 60.774 61.300 -0.249 0.000 1.260 589 I CB 1.164 38.816 38.000 -0.580 0.000 1.390 589 I HN 0.559 nan 8.210 nan 0.000 0.475 590 Q N 3.654 123.485 119.800 0.051 0.000 2.259 590 Q HA 0.391 4.730 4.340 -0.001 0.000 0.246 590 Q C 1.140 177.239 176.000 0.165 0.000 0.920 590 Q CA -0.440 55.416 55.803 0.089 0.000 0.895 590 Q CB 1.836 30.606 28.738 0.053 0.000 1.220 590 Q HN 0.781 nan 8.270 nan 0.000 0.439 591 A N 2.740 125.631 122.820 0.118 0.000 1.927 591 A HA -0.214 4.105 4.320 -0.001 0.000 0.220 591 A C 1.941 179.218 177.584 -0.511 0.000 1.185 591 A CA 2.159 54.095 52.037 -0.168 0.000 0.639 591 A CB -1.194 17.750 19.000 -0.093 0.000 0.820 591 A HN 0.974 nan 8.150 nan 0.000 0.451 592 G N -0.867 107.814 108.800 -0.198 0.000 2.448 592 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.219 592 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.219 592 G C 1.295 176.135 174.900 -0.099 0.000 1.127 592 G CA 0.850 45.854 45.100 -0.159 0.000 0.766 592 G HN 0.692 nan 8.290 nan 0.000 0.552 593 E N -0.865 119.345 120.200 0.017 0.000 2.472 593 E HA -0.053 4.296 4.350 -0.001 0.000 0.200 593 E C 1.506 178.232 176.600 0.209 0.000 1.046 593 E CA 0.926 57.440 56.400 0.190 0.000 0.871 593 E CB -0.028 29.880 29.700 0.347 0.000 0.806 593 E HN 0.907 nan 8.360 nan 0.000 0.533 594 Y N -4.775 115.498 120.300 -0.045 0.000 2.460 594 Y HA 0.247 4.797 4.550 -0.001 0.000 0.276 594 Y C 1.771 177.589 175.900 -0.138 0.000 1.119 594 Y CA -0.411 57.539 58.100 -0.250 0.000 1.181 594 Y CB -0.208 37.925 38.460 -0.545 0.000 1.304 594 Y HN -0.186 nan 8.280 nan 0.000 0.536 595 M N 1.866 121.013 119.600 -0.755 0.000 2.143 595 M HA -0.132 4.347 4.480 -0.001 0.000 0.258 595 M C 2.097 178.309 176.300 -0.146 0.000 1.071 595 M CA 1.903 56.945 55.300 -0.430 0.000 1.088 595 M CB -1.592 30.744 32.600 -0.440 0.000 1.360 595 M HN 0.647 nan 8.290 nan 0.000 0.404 596 G N 0.241 108.972 108.800 -0.116 0.000 2.559 596 G HA2 -0.149 3.811 3.960 -0.001 0.000 0.216 596 G HA3 -0.149 3.811 3.960 -0.001 0.000 0.216 596 G C 0.879 175.768 174.900 -0.019 0.000 1.126 596 G CA 0.587 45.658 45.100 -0.048 0.000 0.778 596 G HN 0.745 nan 8.290 nan 0.000 0.543 597 Q N -0.643 119.148 119.800 -0.014 0.000 2.275 597 Q HA 0.467 4.806 4.340 -0.001 0.000 0.314 597 Q C -0.297 175.686 176.000 -0.028 0.000 0.851 597 Q CA -0.456 55.342 55.803 -0.009 0.000 1.083 597 Q CB -0.163 28.583 28.738 0.012 0.000 1.341 597 Q HN 0.188 nan 8.270 nan 0.000 0.402 598 L N 1.020 122.233 121.223 -0.017 0.000 2.466 598 L HA 0.484 4.824 4.340 -0.001 0.000 0.257 598 L C -0.055 176.769 176.870 -0.076 0.000 1.189 598 L CA -0.596 54.226 54.840 -0.030 0.000 0.813 598 L CB 0.800 42.879 42.059 0.034 0.000 1.118 598 L HN 0.341 nan 8.230 nan 0.000 0.471 599 L N 0.072 121.219 121.223 -0.127 0.000 2.279 599 L HA 0.404 4.743 4.340 -0.001 0.000 0.262 599 L C -0.171 176.655 176.870 -0.072 0.000 1.019 599 L CA -1.012 53.715 54.840 -0.190 0.000 0.823 599 L CB 1.627 43.369 42.059 -0.527 0.000 1.358 599 L HN 0.544 nan 8.230 nan 0.000 0.432 600 E N 0.472 120.672 120.200 -0.000 0.000 2.508 600 E HA -0.082 4.268 4.350 -0.001 0.000 0.266 600 E C -0.253 176.343 176.600 -0.006 0.000 1.010 600 E CA 0.288 56.719 56.400 0.052 0.000 0.955 600 E CB 0.051 29.837 29.700 0.143 0.000 0.946 600 E HN 0.512 nan 8.360 nan 0.000 0.454 601 Q N -0.018 119.747 119.800 -0.058 0.000 2.282 601 Q HA -0.338 4.001 4.340 -0.001 0.000 0.182 601 Q C 0.224 176.255 176.000 0.052 0.000 0.609 601 Q CA 0.541 56.308 55.803 -0.060 0.000 1.397 601 Q CB -1.871 26.784 28.738 -0.138 0.000 1.458 601 Q HN 0.938 nan 8.270 nan 0.000 0.852 602 A N 0.528 123.365 122.820 0.028 0.000 2.312 602 A HA -0.182 4.137 4.320 -0.001 0.000 0.286 602 A C 0.489 178.069 177.584 -0.007 0.000 1.425 602 A CA 1.229 53.271 52.037 0.009 0.000 0.748 602 A CB -1.687 17.331 19.000 0.030 0.000 1.126 602 A HN 1.023 nan 8.150 nan 0.000 0.368 603 S N 0.161 115.863 115.700 0.003 0.000 2.537 603 S HA 0.901 5.370 4.470 -0.001 0.000 0.301 603 S C -0.535 174.045 174.600 -0.034 0.000 1.092 603 S CA -1.056 57.155 58.200 0.018 0.000 1.048 603 S CB 1.978 65.245 63.200 0.112 0.000 1.053 603 S HN 0.848 nan 8.310 nan 0.000 0.501 604 L N 2.096 123.279 121.223 -0.067 0.000 2.370 604 L HA 0.568 4.907 4.340 -0.001 0.000 0.266 604 L C -0.605 176.081 176.870 -0.307 0.000 1.002 604 L CA -0.521 54.225 54.840 -0.157 0.000 0.818 604 L CB 1.336 43.291 42.059 -0.173 0.000 1.325 604 L HN 1.021 nan 8.230 nan 0.000 0.418 605 H N 1.389 120.186 119.070 -0.455 0.000 2.495 605 H HA 0.735 5.291 4.556 -0.001 0.000 0.348 605 H C -1.484 173.410 175.328 -0.723 0.000 1.113 605 H CA -0.294 55.465 56.048 -0.481 0.000 1.195 605 H CB 1.202 30.819 29.762 -0.243 0.000 1.521 605 H HN 0.292 nan 8.280 nan 0.000 0.509 606 F N 4.096 123.725 119.950 -0.535 0.000 2.520 606 F HA 0.418 4.945 4.527 -0.001 0.000 0.322 606 F C -1.102 174.443 175.800 -0.425 0.000 1.103 606 F CA -0.766 57.070 58.000 -0.273 0.000 0.926 606 F CB 1.126 40.133 39.000 0.012 0.000 1.154 606 F HN 0.379 nan 8.300 nan 0.000 0.453 607 F N 2.147 122.168 119.950 0.119 0.000 2.477 607 F HA 0.640 5.166 4.527 -0.001 0.000 0.335 607 F C -0.601 175.146 175.800 -0.089 0.000 1.130 607 F CA -1.259 56.783 58.000 0.069 0.000 0.948 607 F CB 1.921 40.986 39.000 0.109 0.000 1.154 607 F HN 0.058 nan 8.300 nan 0.000 0.439 608 V N 3.257 123.184 119.914 0.021 0.000 2.407 608 V HA 0.575 4.694 4.120 -0.001 0.000 0.291 608 V C -0.504 175.570 176.094 -0.033 0.000 1.018 608 V CA -0.585 61.615 62.300 -0.166 0.000 0.842 608 V CB 1.846 33.323 31.823 -0.576 0.000 0.996 608 V HN 0.814 nan 8.190 nan 0.000 0.426 609 T N 2.074 116.633 114.554 0.008 0.000 2.876 609 T HA 0.935 5.284 4.350 -0.001 0.000 0.289 609 T C -0.444 174.321 174.700 0.109 0.000 1.014 609 T CA -0.679 61.437 62.100 0.026 0.000 0.986 609 T CB 2.320 71.194 68.868 0.009 0.000 1.021 609 T HN 0.982 nan 8.240 nan 0.000 0.458 610 A N 1.962 124.837 122.820 0.090 0.000 2.539 610 A HA 0.864 5.184 4.320 -0.001 0.000 0.296 610 A C -0.804 176.822 177.584 0.071 0.000 1.073 610 A CA -1.106 50.993 52.037 0.104 0.000 0.700 610 A CB 1.781 20.876 19.000 0.160 0.000 1.296 610 A HN 0.900 nan 8.150 nan 0.000 0.405 611 R N 1.548 122.082 120.500 0.056 0.000 2.437 611 R HA 0.619 4.958 4.340 -0.001 0.000 0.310 611 R C -1.401 174.884 176.300 -0.024 0.000 0.955 611 R CA -0.552 55.565 56.100 0.028 0.000 0.851 611 R CB 0.799 31.146 30.300 0.079 0.000 1.161 611 R HN 0.667 nan 8.270 nan 0.000 0.446 612 I N 6.280 126.814 120.570 -0.061 0.000 2.373 612 I HA 0.009 4.178 4.170 -0.001 0.000 0.287 612 I C 1.457 177.531 176.117 -0.073 0.000 1.124 612 I CA -0.449 60.786 61.300 -0.108 0.000 1.273 612 I CB 0.111 37.963 38.000 -0.247 0.000 1.578 612 I HN 0.732 nan 8.210 nan 0.000 0.572 613 N N 2.325 121.010 118.700 -0.025 0.000 2.228 613 N HA -0.345 4.394 4.740 -0.001 0.000 0.199 613 N C 1.109 176.625 175.510 0.011 0.000 0.985 613 N CA 1.884 54.933 53.050 -0.002 0.000 0.909 613 N CB -0.165 38.327 38.487 0.010 0.000 1.020 613 N HN 0.526 nan 8.380 nan 0.000 0.472 614 E N 0.347 120.567 120.200 0.035 0.000 2.012 614 E HA -0.148 4.201 4.350 -0.001 0.000 0.197 614 E C 2.343 178.967 176.600 0.040 0.000 1.007 614 E CA 2.554 58.999 56.400 0.076 0.000 0.816 614 E CB -0.498 29.326 29.700 0.206 0.000 0.762 614 E HN 0.767 nan 8.360 nan 0.000 0.451 615 T N -2.242 112.304 114.554 -0.013 0.000 3.081 615 T HA 0.073 4.423 4.350 -0.001 0.000 0.255 615 T C 1.081 175.760 174.700 -0.035 0.000 1.113 615 T CA 0.234 62.314 62.100 -0.033 0.000 1.082 615 T CB 0.201 69.005 68.868 -0.106 0.000 0.939 615 T HN -0.037 nan 8.240 nan 0.000 0.506 616 R N 1.165 121.643 120.500 -0.036 0.000 3.641 616 R HA -0.130 4.209 4.340 -0.001 0.000 0.286 616 R C -1.333 174.947 176.300 -0.034 0.000 1.153 616 R CA 0.579 56.665 56.100 -0.024 0.000 0.775 616 R CB -2.513 27.781 30.300 -0.009 0.000 1.215 616 R HN 0.558 nan 8.270 nan 0.000 0.474 617 D N -1.044 119.319 120.400 -0.062 0.000 2.256 617 D HA 0.370 5.009 4.640 -0.001 0.000 0.250 617 D C -0.361 175.906 176.300 -0.055 0.000 1.093 617 D CA -0.208 53.754 54.000 -0.063 0.000 0.882 617 D CB 1.387 42.127 40.800 -0.098 0.000 1.185 617 D HN -0.083 nan 8.370 nan 0.000 0.437 618 V N 4.157 124.045 119.914 -0.043 0.000 2.417 618 V HA 0.393 4.512 4.120 -0.001 0.000 0.291 618 V C -0.063 175.988 176.094 -0.072 0.000 1.024 618 V CA -0.668 61.605 62.300 -0.045 0.000 0.861 618 V CB 1.309 33.109 31.823 -0.038 0.000 0.985 618 V HN 0.387 nan 8.190 nan 0.000 0.436 619 L N 4.350 125.531 121.223 -0.069 0.000 2.334 619 L HA 0.963 5.302 4.340 -0.001 0.000 0.273 619 L C -0.004 176.770 176.870 -0.160 0.000 1.013 619 L CA -0.458 54.328 54.840 -0.090 0.000 0.816 619 L CB 1.920 43.970 42.059 -0.015 0.000 1.278 619 L HN 0.739 nan 8.230 nan 0.000 0.431 620 A N 2.947 125.601 122.820 -0.275 0.000 2.574 620 A HA 0.846 5.165 4.320 -0.001 0.000 0.297 620 A C -1.379 176.052 177.584 -0.254 0.000 1.062 620 A CA -0.709 51.102 52.037 -0.376 0.000 0.686 620 A CB 2.130 20.591 19.000 -0.897 0.000 1.285 620 A HN 0.544 nan 8.150 nan 0.000 0.403 621 K N 0.588 120.985 120.400 -0.006 0.000 2.556 621 K HA 0.571 4.890 4.320 -0.001 0.000 0.274 621 K C -1.503 175.308 176.600 0.352 0.000 0.966 621 K CA -0.426 55.973 56.287 0.187 0.000 0.865 621 K CB 2.527 35.206 32.500 0.298 0.000 1.444 621 K HN 0.985 nan 8.250 nan 0.000 0.433 622 Q N 1.025 120.991 119.800 0.277 0.000 2.340 622 Q HA 0.617 4.956 4.340 -0.001 0.000 0.276 622 Q C -1.175 174.891 176.000 0.110 0.000 1.048 622 Q CA -1.079 54.823 55.803 0.165 0.000 0.832 622 Q CB 2.957 31.728 28.738 0.054 0.000 1.373 622 Q HN 0.361 nan 8.270 nan 0.000 0.409 623 K N 0.651 121.118 120.400 0.112 0.000 2.469 623 K HA 0.763 5.082 4.320 -0.001 0.000 0.268 623 K C -1.173 175.509 176.600 0.137 0.000 1.027 623 K CA -0.931 55.452 56.287 0.161 0.000 0.893 623 K CB 2.504 34.966 32.500 -0.065 0.000 1.460 623 K HN 0.747 nan 8.250 nan 0.000 0.449 624 S N 0.148 116.010 115.700 0.270 0.000 2.579 624 S HA 0.611 5.080 4.470 -0.001 0.000 0.272 624 S C -1.329 173.392 174.600 0.200 0.000 1.141 624 S CA -0.890 57.440 58.200 0.216 0.000 0.843 624 S CB 2.095 65.502 63.200 0.345 0.000 1.122 624 S HN 0.685 nan 8.310 nan 0.000 0.468 625 T N -1.215 113.424 114.554 0.142 0.000 2.933 625 T HA 0.708 5.057 4.350 -0.001 0.000 0.305 625 T C -0.661 174.037 174.700 -0.003 0.000 1.092 625 T CA -0.915 61.223 62.100 0.063 0.000 1.008 625 T CB 1.038 69.938 68.868 0.054 0.000 1.102 625 T HN 0.873 nan 8.240 nan 0.000 0.469 626 V N 0.914 120.809 119.914 -0.031 0.000 2.459 626 V HA 0.676 4.795 4.120 -0.001 0.000 0.295 626 V C -0.248 175.800 176.094 -0.076 0.000 1.029 626 V CA -1.204 61.083 62.300 -0.021 0.000 0.874 626 V CB 1.089 32.928 31.823 0.027 0.000 0.985 626 V HN 0.955 nan 8.190 nan 0.000 0.438 627 L N 4.022 125.199 121.223 -0.076 0.000 2.361 627 L HA 0.301 4.640 4.340 -0.001 0.000 0.278 627 L C 0.904 177.762 176.870 -0.020 0.000 1.113 627 L CA 0.104 54.893 54.840 -0.085 0.000 0.849 627 L CB 0.981 42.996 42.059 -0.073 0.000 1.155 627 L HN 0.786 nan 8.230 nan 0.000 0.452 628 T N 5.191 119.725 114.554 -0.034 0.000 2.867 628 T HA 0.275 4.624 4.350 -0.001 0.000 0.297 628 T C 0.120 174.838 174.700 0.028 0.000 0.989 628 T CA 0.340 62.435 62.100 -0.008 0.000 1.159 628 T CB -0.015 68.839 68.868 -0.024 0.000 0.928 628 T HN 0.264 nan 8.240 nan 0.000 0.538 629 I N 6.087 126.687 120.570 0.050 0.000 2.474 629 I HA 0.345 4.514 4.170 -0.001 0.000 0.294 629 I C -1.778 174.381 176.117 0.071 0.000 1.005 629 I CA -2.566 58.776 61.300 0.070 0.000 1.113 629 I CB 1.834 39.886 38.000 0.088 0.000 1.289 629 I HN 0.435 nan 8.210 nan 0.000 0.436 630 P HA 0.073 nan 4.420 nan 0.000 0.268 630 P C -0.739 176.631 177.300 0.117 0.000 1.205 630 P CA -0.167 62.979 63.100 0.076 0.000 0.771 630 P CB 0.569 32.303 31.700 0.057 0.000 0.858 631 E N 2.408 122.666 120.200 0.096 0.000 2.322 631 E HA 0.408 4.758 4.350 -0.001 0.000 0.257 631 E C -0.247 176.446 176.600 0.155 0.000 1.155 631 E CA -0.925 55.540 56.400 0.108 0.000 0.936 631 E CB 0.595 30.341 29.700 0.077 0.000 1.130 631 E HN 0.297 nan 8.360 nan 0.000 0.465 632 I N 0.980 121.632 120.570 0.137 0.000 2.532 632 I HA 0.156 4.326 4.170 -0.001 0.000 0.292 632 I C -0.102 176.084 176.117 0.115 0.000 1.014 632 I CA -0.878 60.523 61.300 0.168 0.000 1.340 632 I CB 0.854 38.922 38.000 0.112 0.000 1.422 632 I HN 0.437 nan 8.210 nan 0.000 0.528 633 I N 6.679 127.318 120.570 0.114 0.000 2.336 633 I HA 0.425 4.595 4.170 -0.001 0.000 0.292 633 I C -0.047 176.110 176.117 0.066 0.000 0.991 633 I CA -0.366 60.977 61.300 0.072 0.000 1.227 633 I CB 1.193 39.226 38.000 0.056 0.000 1.366 633 I HN 0.368 nan 8.210 nan 0.000 0.466 634 I N 6.656 127.248 120.570 0.038 0.000 2.447 634 I HA 0.347 4.516 4.170 -0.001 0.000 0.287 634 I C -0.424 175.691 176.117 -0.004 0.000 1.023 634 I CA -0.690 60.619 61.300 0.016 0.000 1.083 634 I CB 1.680 39.680 38.000 0.000 0.000 1.245 634 I HN 0.489 nan 8.210 nan 0.000 0.434 635 K N 6.157 126.550 120.400 -0.011 0.000 2.397 635 K HA 0.657 4.977 4.320 -0.001 0.000 0.253 635 K C -0.844 175.735 176.600 -0.035 0.000 0.932 635 K CA -0.927 55.349 56.287 -0.019 0.000 0.795 635 K CB 2.780 35.276 32.500 -0.007 0.000 1.159 635 K HN 0.381 nan 8.250 nan 0.000 0.424 636 V N -0.154 119.736 119.914 -0.039 0.000 2.407 636 V HA 0.527 4.646 4.120 -0.001 0.000 0.278 636 V C -0.227 175.845 176.094 -0.036 0.000 1.037 636 V CA -0.757 61.514 62.300 -0.048 0.000 0.900 636 V CB 0.962 32.752 31.823 -0.056 0.000 0.983 636 V HN 0.881 nan 8.190 nan 0.000 0.459 637 R N 3.160 123.638 120.500 -0.036 0.000 2.435 637 R HA 0.713 5.053 4.340 -0.001 0.000 0.308 637 R C 0.125 176.409 176.300 -0.026 0.000 0.975 637 R CA 0.553 56.638 56.100 -0.026 0.000 0.867 637 R CB 1.305 31.592 30.300 -0.021 0.000 1.171 637 R HN 1.443 nan 8.270 nan 0.000 0.470 638 G N 1.170 109.957 108.800 -0.022 0.000 2.291 638 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.249 638 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.249 638 G C -1.278 173.611 174.900 -0.019 0.000 1.340 638 G CA -0.596 44.492 45.100 -0.019 0.000 1.017 638 G HN 0.406 nan 8.290 nan 0.000 0.470 639 T N -0.091 114.453 114.554 -0.016 0.000 2.739 639 T HA 0.487 4.836 4.350 -0.001 0.000 0.298 639 T C 0.309 174.997 174.700 -0.020 0.000 0.929 639 T CA -0.122 61.969 62.100 -0.015 0.000 1.014 639 T CB 1.562 70.425 68.868 -0.008 0.000 0.914 639 T HN 0.486 nan 8.240 nan 0.000 0.509 640 Q N 2.340 122.125 119.800 -0.024 0.000 2.945 640 Q HA 0.329 4.669 4.340 -0.001 0.000 0.323 640 Q C -0.689 175.295 176.000 -0.027 0.000 1.188 640 Q CA -0.040 55.743 55.803 -0.033 0.000 0.929 640 Q CB -0.277 28.439 28.738 -0.038 0.000 1.531 640 Q HN 0.604 nan 8.270 nan 0.000 0.444 641 V N 0.233 120.137 119.914 -0.017 0.000 2.588 641 V HA 0.288 4.407 4.120 -0.001 0.000 0.304 641 V C -0.105 175.990 176.094 0.001 0.000 1.042 641 V CA -1.157 61.138 62.300 -0.009 0.000 0.877 641 V CB 2.112 33.933 31.823 -0.003 0.000 0.996 641 V HN 0.040 nan 8.190 nan 0.000 0.425 642 V N 4.938 124.855 119.914 0.005 0.000 2.678 642 V HA 0.236 4.356 4.120 -0.001 0.000 0.304 642 V C 1.619 177.742 176.094 0.048 0.000 1.086 642 V CA 2.088 64.404 62.300 0.028 0.000 1.246 642 V CB -0.163 31.680 31.823 0.033 0.000 0.861 642 V HN 1.407 nan 8.190 nan 0.000 0.491 643 G N 3.974 112.820 108.800 0.076 0.000 2.253 643 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.251 643 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.251 643 G C 0.350 175.280 174.900 0.050 0.000 0.998 643 G CA 0.196 45.340 45.100 0.072 0.000 0.621 643 G HN 0.806 nan 8.290 nan 0.000 0.524 644 S N 1.649 117.370 115.700 0.035 0.000 2.489 644 S HA 0.548 5.017 4.470 -0.001 0.000 0.291 644 S C -0.237 174.374 174.600 0.019 0.000 1.151 644 S CA -0.691 57.522 58.200 0.022 0.000 1.082 644 S CB 1.529 64.735 63.200 0.010 0.000 1.019 644 S HN 0.331 nan 8.310 nan 0.000 0.492 645 D N 2.622 123.031 120.400 0.015 0.000 2.400 645 D HA 0.336 4.975 4.640 -0.001 0.000 0.238 645 D C 0.177 176.474 176.300 -0.005 0.000 1.157 645 D CA 0.445 54.450 54.000 0.009 0.000 0.889 645 D CB 0.368 41.172 40.800 0.007 0.000 1.199 645 D HN 0.554 nan 8.370 nan 0.000 0.436 646 M N -1.806 117.785 119.600 -0.015 0.000 2.365 646 M HA 0.365 4.844 4.480 -0.001 0.000 0.287 646 M C -1.380 174.895 176.300 -0.041 0.000 1.154 646 M CA -0.785 54.498 55.300 -0.028 0.000 0.941 646 M CB 2.025 34.603 32.600 -0.037 0.000 1.704 646 M HN -0.040 nan 8.290 nan 0.000 0.479 647 T N 2.440 116.968 114.554 -0.042 0.000 2.743 647 T HA 0.566 4.915 4.350 -0.001 0.000 0.293 647 T C -0.113 174.542 174.700 -0.074 0.000 0.945 647 T CA -0.605 61.461 62.100 -0.056 0.000 1.030 647 T CB 1.117 69.962 68.868 -0.038 0.000 0.912 647 T HN 0.522 nan 8.240 nan 0.000 0.483 648 V N 3.976 123.821 119.914 -0.115 0.000 2.435 648 V HA 0.484 4.604 4.120 -0.001 0.000 0.290 648 V C 0.282 176.282 176.094 -0.156 0.000 1.030 648 V CA -0.759 61.458 62.300 -0.138 0.000 0.881 648 V CB 1.675 33.385 31.823 -0.188 0.000 0.983 648 V HN 1.019 nan 8.190 nan 0.000 0.445 649 T N 3.946 118.443 114.554 -0.094 0.000 2.864 649 T HA 0.496 4.845 4.350 -0.001 0.000 0.310 649 T C -0.328 174.376 174.700 0.007 0.000 1.040 649 T CA -0.408 61.667 62.100 -0.041 0.000 0.977 649 T CB 1.242 70.112 68.868 0.003 0.000 0.976 649 T HN 0.318 nan 8.240 nan 0.000 0.459 650 V N 3.271 123.220 119.914 0.059 0.000 2.509 650 V HA 0.508 4.627 4.120 -0.001 0.000 0.284 650 V C 0.274 176.504 176.094 0.226 0.000 1.047 650 V CA -0.571 61.829 62.300 0.166 0.000 0.952 650 V CB 1.469 33.482 31.823 0.317 0.000 0.988 650 V HN 0.868 nan 8.190 nan 0.000 0.469 651 E N 3.106 123.417 120.200 0.184 0.000 2.263 651 E HA 0.534 4.883 4.350 -0.001 0.000 0.268 651 E C -2.129 174.589 176.600 0.196 0.000 0.884 651 E CA -0.577 55.919 56.400 0.161 0.000 0.766 651 E CB 2.019 31.776 29.700 0.095 0.000 1.196 651 E HN 0.512 nan 8.360 nan 0.000 0.416 652 F N 2.364 122.297 119.950 -0.028 0.000 2.556 652 F HA 0.504 5.030 4.527 -0.001 0.000 0.314 652 F C -1.184 174.560 175.800 -0.094 0.000 1.106 652 F CA -0.392 57.566 58.000 -0.071 0.000 0.911 652 F CB 2.189 41.117 39.000 -0.119 0.000 1.190 652 F HN 0.231 nan 8.300 nan 0.000 0.448 653 T N 4.895 118.858 114.554 -0.984 0.000 2.792 653 T HA 0.200 4.549 4.350 -0.001 0.000 0.280 653 T C -0.585 173.426 174.700 -1.147 0.000 0.990 653 T CA -0.700 60.915 62.100 -0.808 0.000 0.960 653 T CB 0.805 69.433 68.868 -0.399 0.000 0.939 653 T HN 0.548 nan 8.240 nan 0.000 0.439 654 N N 4.936 123.190 118.700 -0.743 0.000 2.429 654 N HA 0.055 4.794 4.740 -0.001 0.000 0.271 654 N C -1.248 174.099 175.510 -0.272 0.000 1.272 654 N CA -1.861 50.920 53.050 -0.447 0.000 0.921 654 N CB 1.042 39.405 38.487 -0.207 0.000 1.128 654 N HN 0.289 nan 8.380 nan 0.000 0.481 655 P HA -0.039 nan 4.420 nan 0.000 0.227 655 P C 0.582 177.859 177.300 -0.037 0.000 1.161 655 P CA 0.619 63.669 63.100 -0.083 0.000 0.788 655 P CB 0.537 32.229 31.700 -0.015 0.000 0.822 656 L N -0.493 120.718 121.223 -0.021 0.000 2.470 656 L HA 0.171 4.511 4.340 -0.001 0.000 0.243 656 L C 1.410 178.265 176.870 -0.025 0.000 1.227 656 L CA -0.123 54.712 54.840 -0.009 0.000 0.824 656 L CB -0.177 41.887 42.059 0.007 0.000 1.175 656 L HN -0.322 nan 8.230 nan 0.000 0.503 657 K N -0.515 119.873 120.400 -0.020 0.000 2.440 657 K HA 0.136 4.455 4.320 -0.001 0.000 0.206 657 K C -0.548 176.039 176.600 -0.021 0.000 1.025 657 K CA -0.036 56.237 56.287 -0.023 0.000 1.135 657 K CB 0.306 32.792 32.500 -0.022 0.000 0.856 657 K HN 0.615 nan 8.250 nan 0.000 0.502 658 E N -1.923 118.266 120.200 -0.018 0.000 2.450 658 E HA 0.350 4.699 4.350 -0.001 0.000 0.272 658 E C -0.858 175.735 176.600 -0.011 0.000 0.967 658 E CA -1.132 55.260 56.400 -0.013 0.000 0.818 658 E CB 0.825 30.519 29.700 -0.010 0.000 1.401 658 E HN -0.013 nan 8.360 nan 0.000 0.450 659 T N -0.355 114.194 114.554 -0.008 0.000 2.889 659 T HA 0.492 4.842 4.350 -0.001 0.000 0.291 659 T C 0.149 174.851 174.700 0.004 0.000 0.995 659 T CA -0.799 61.297 62.100 -0.006 0.000 1.092 659 T CB 0.302 69.165 68.868 -0.008 0.000 0.954 659 T HN 0.364 nan 8.240 nan 0.000 0.506 660 L N 2.672 123.901 121.223 0.010 0.000 2.322 660 L HA 0.654 4.993 4.340 -0.001 0.000 0.279 660 L C 0.512 177.386 176.870 0.007 0.000 1.036 660 L CA -1.096 53.757 54.840 0.022 0.000 0.807 660 L CB 1.492 43.583 42.059 0.053 0.000 1.226 660 L HN 0.676 nan 8.230 nan 0.000 0.433 661 R N 1.362 121.864 120.500 0.004 0.000 2.807 661 R HA 0.398 4.737 4.340 -0.001 0.000 0.276 661 R C -0.563 175.721 176.300 -0.028 0.000 0.979 661 R CA -1.017 55.076 56.100 -0.012 0.000 0.928 661 R CB 1.128 31.423 30.300 -0.008 0.000 1.191 661 R HN 0.577 nan 8.270 nan 0.000 0.471 662 N N -0.695 117.961 118.700 -0.074 0.000 2.714 662 N HA -0.148 4.591 4.740 -0.001 0.000 0.253 662 N C -1.188 174.212 175.510 -0.184 0.000 1.024 662 N CA 0.463 53.419 53.050 -0.157 0.000 0.726 662 N CB -1.154 37.293 38.487 -0.066 0.000 0.908 662 N HN 0.229 nan 8.380 nan 0.000 0.542 663 V N 0.399 120.222 119.914 -0.152 0.000 2.415 663 V HA 0.112 4.231 4.120 -0.001 0.000 0.267 663 V C 0.607 176.629 176.094 -0.119 0.000 1.042 663 V CA -0.170 62.080 62.300 -0.084 0.000 1.000 663 V CB -0.027 31.755 31.823 -0.070 0.000 1.015 663 V HN 0.299 nan 8.190 nan 0.000 0.478 664 W N 4.039 125.339 121.300 0.000 0.000 2.314 664 W HA 0.598 5.257 4.660 -0.001 0.000 0.310 664 W C -0.340 176.182 176.519 0.005 0.000 1.075 664 W CA -0.596 56.740 57.345 -0.015 0.000 1.253 664 W CB 1.624 31.085 29.460 0.001 0.000 1.238 664 W HN 0.325 nan 8.180 nan 0.000 0.440 665 V N 4.211 124.251 119.914 0.210 0.000 2.532 665 V HA 0.365 4.484 4.120 -0.001 0.000 0.295 665 V C 0.066 176.256 176.094 0.159 0.000 1.041 665 V CA -0.888 61.512 62.300 0.167 0.000 0.926 665 V CB 1.108 33.028 31.823 0.162 0.000 0.992 665 V HN 0.433 nan 8.190 nan 0.000 0.457 666 H N 3.461 122.641 119.070 0.185 0.000 2.622 666 H HA 0.689 5.244 4.556 -0.001 0.000 0.363 666 H C -1.238 174.274 175.328 0.307 0.000 1.151 666 H CA -0.668 55.514 56.048 0.224 0.000 1.184 666 H CB 2.722 32.543 29.762 0.098 0.000 1.643 666 H HN 0.428 nan 8.280 nan 0.000 0.531 667 L N 2.435 123.904 121.223 0.409 0.000 2.422 667 L HA 0.415 4.754 4.340 -0.001 0.000 0.264 667 L C -1.350 175.603 176.870 0.139 0.000 0.984 667 L CA -0.329 54.646 54.840 0.225 0.000 0.819 667 L CB 2.052 44.151 42.059 0.067 0.000 1.330 667 L HN 0.647 nan 8.230 nan 0.000 0.410 668 D N 2.143 122.577 120.400 0.056 0.000 2.654 668 D HA 0.768 5.407 4.640 -0.001 0.000 0.231 668 D C -1.202 175.075 176.300 -0.038 0.000 1.239 668 D CA 0.066 54.077 54.000 0.019 0.000 0.790 668 D CB 2.649 43.447 40.800 -0.004 0.000 1.480 668 D HN 0.792 nan 8.370 nan 0.000 0.442 669 G N 2.002 110.767 108.800 -0.058 0.000 2.167 669 G HA2 0.317 4.276 3.960 -0.001 0.000 0.300 669 G HA3 0.317 4.276 3.960 -0.001 0.000 0.300 669 G C -2.973 171.840 174.900 -0.146 0.000 1.842 669 G CA -0.978 44.054 45.100 -0.113 0.000 1.035 669 G HN 0.260 nan 8.290 nan 0.000 0.489 670 P HA 0.219 nan 4.420 nan 0.000 0.260 670 P C 1.123 178.264 177.300 -0.265 0.000 1.207 670 P CA 1.586 64.629 63.100 -0.096 0.000 0.780 670 P CB 0.775 32.459 31.700 -0.026 0.000 0.789 671 G N 2.111 110.585 108.800 -0.544 0.000 2.144 671 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.218 671 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.218 671 G C 0.378 174.306 174.900 -1.620 0.000 0.988 671 G CA -0.011 44.315 45.100 -1.289 0.000 0.659 671 G HN 0.412 nan 8.290 nan 0.000 0.522 672 V N -1.372 117.854 119.914 -1.145 0.000 3.229 672 V HA 0.544 4.663 4.120 -0.001 0.000 0.239 672 V C 0.785 176.711 176.094 -0.279 0.000 1.390 672 V CA 1.549 63.474 62.300 -0.625 0.000 1.231 672 V CB 1.391 33.014 31.823 -0.334 0.000 1.025 672 V HN 0.825 nan 8.190 nan 0.000 0.461 673 T N 0.157 114.633 114.554 -0.129 0.000 2.977 673 T HA 0.409 4.758 4.350 -0.001 0.000 0.345 673 T C -1.400 173.453 174.700 0.254 0.000 1.562 673 T CA -0.519 61.703 62.100 0.203 0.000 1.090 673 T CB 1.763 70.667 68.868 0.060 0.000 1.383 673 T HN 0.187 nan 8.240 nan 0.000 0.484 674 R N 2.580 123.262 120.500 0.303 0.000 2.543 674 R HA 0.474 4.813 4.340 -0.001 0.000 0.268 674 R C -2.246 174.141 176.300 0.144 0.000 1.067 674 R CA -2.093 54.141 56.100 0.224 0.000 1.142 674 R CB 0.528 30.941 30.300 0.189 0.000 1.110 674 R HN 0.451 nan 8.270 nan 0.000 0.549 675 P HA -0.102 nan 4.420 nan 0.000 0.255 675 P C -0.926 176.458 177.300 0.140 0.000 1.173 675 P CA 1.147 64.324 63.100 0.129 0.000 0.780 675 P CB 0.319 32.096 31.700 0.128 0.000 0.758 676 M N 3.907 123.610 119.600 0.171 0.000 2.535 676 M HA 0.494 4.973 4.480 -0.001 0.000 0.314 676 M C 0.321 176.770 176.300 0.247 0.000 1.153 676 M CA -0.622 54.805 55.300 0.211 0.000 0.924 676 M CB 2.995 35.760 32.600 0.276 0.000 1.710 676 M HN 0.185 nan 8.290 nan 0.000 0.451 677 K N 0.964 121.429 120.400 0.108 0.000 2.464 677 K HA 0.679 4.998 4.320 -0.001 0.000 0.253 677 K C -1.560 174.962 176.600 -0.130 0.000 0.933 677 K CA -1.137 55.077 56.287 -0.121 0.000 0.801 677 K CB 2.742 34.906 32.500 -0.560 0.000 1.271 677 K HN 0.388 nan 8.250 nan 0.000 0.430 678 K N 2.901 123.034 120.400 -0.446 0.000 2.318 678 K HA 0.425 4.744 4.320 -0.001 0.000 0.249 678 K C -1.319 174.990 176.600 -0.485 0.000 0.942 678 K CA -0.776 55.106 56.287 -0.675 0.000 0.808 678 K CB 2.059 33.558 32.500 -1.669 0.000 1.189 678 K HN 0.829 nan 8.250 nan 0.000 0.428 679 M N 3.372 122.563 119.600 -0.682 0.000 2.393 679 M HA 0.426 4.905 4.480 -0.001 0.000 0.316 679 M C -1.603 174.282 176.300 -0.691 0.000 1.087 679 M CA -0.685 54.104 55.300 -0.851 0.000 0.937 679 M CB 1.047 32.744 32.600 -1.505 0.000 1.668 679 M HN 0.412 nan 8.290 nan 0.000 0.438 680 F N 3.618 123.281 119.950 -0.479 0.000 2.449 680 F HA 0.475 5.001 4.527 -0.001 0.000 0.342 680 F C 1.266 176.900 175.800 -0.276 0.000 1.127 680 F CA -0.804 57.016 58.000 -0.300 0.000 0.975 680 F CB 1.043 39.926 39.000 -0.195 0.000 1.146 680 F HN 0.569 nan 8.300 nan 0.000 0.444 681 R N 1.756 122.214 120.500 -0.070 0.000 2.119 681 R HA -0.143 4.196 4.340 -0.001 0.000 0.246 681 R C 0.145 176.420 176.300 -0.042 0.000 1.146 681 R CA 1.514 57.563 56.100 -0.084 0.000 0.962 681 R CB -0.709 29.551 30.300 -0.067 0.000 0.863 681 R HN 0.918 nan 8.270 nan 0.000 0.442 682 E N -1.457 118.744 120.200 0.002 0.000 2.432 682 E HA 0.492 4.841 4.350 -0.001 0.000 0.279 682 E C -1.222 175.383 176.600 0.009 0.000 1.099 682 E CA -0.804 55.595 56.400 -0.002 0.000 0.859 682 E CB 1.096 30.791 29.700 -0.008 0.000 1.402 682 E HN 0.028 nan 8.360 nan 0.000 0.451 683 I N 0.653 121.216 120.570 -0.011 0.000 2.611 683 I HA 0.409 4.578 4.170 -0.001 0.000 0.287 683 I C -1.062 175.035 176.117 -0.034 0.000 1.184 683 I CA -0.781 60.500 61.300 -0.032 0.000 1.054 683 I CB 1.301 39.258 38.000 -0.071 0.000 1.257 683 I HN 0.490 nan 8.210 nan 0.000 0.435 684 R N 7.435 127.914 120.500 -0.035 0.000 2.734 684 R HA 0.258 4.597 4.340 -0.001 0.000 0.266 684 R C -2.382 173.887 176.300 -0.053 0.000 1.044 684 R CA -1.633 54.446 56.100 -0.035 0.000 1.128 684 R CB -0.221 30.062 30.300 -0.029 0.000 1.010 684 R HN 0.434 nan 8.270 nan 0.000 0.461 685 P HA -0.095 nan 4.420 nan 0.000 0.265 685 P C -0.442 176.817 177.300 -0.069 0.000 1.222 685 P CA 0.372 63.440 63.100 -0.054 0.000 0.767 685 P CB 0.237 31.916 31.700 -0.037 0.000 0.801 686 N N -0.410 118.231 118.700 -0.100 0.000 2.901 686 N HA -0.090 4.650 4.740 -0.001 0.000 0.248 686 N C -0.342 175.099 175.510 -0.116 0.000 1.044 686 N CA 0.500 53.484 53.050 -0.109 0.000 0.847 686 N CB -1.208 37.235 38.487 -0.073 0.000 1.127 686 N HN 0.409 nan 8.380 nan 0.000 0.562 687 S N 0.028 115.651 115.700 -0.127 0.000 2.693 687 S HA 0.595 5.064 4.470 -0.001 0.000 0.276 687 S C 0.444 174.945 174.600 -0.165 0.000 1.192 687 S CA -0.086 58.046 58.200 -0.113 0.000 0.994 687 S CB 2.208 65.358 63.200 -0.085 0.000 1.012 687 S HN 0.139 nan 8.310 nan 0.000 0.550 688 T N 1.494 115.975 114.554 -0.123 0.000 2.886 688 T HA 0.599 4.948 4.350 -0.001 0.000 0.292 688 T C -0.734 173.922 174.700 -0.074 0.000 1.012 688 T CA -0.669 61.350 62.100 -0.135 0.000 0.982 688 T CB 1.398 70.207 68.868 -0.098 0.000 1.018 688 T HN 0.577 nan 8.240 nan 0.000 0.451 689 V N 1.180 121.046 119.914 -0.080 0.000 2.680 689 V HA 0.738 4.857 4.120 -0.001 0.000 0.309 689 V C -0.872 175.286 176.094 0.108 0.000 1.052 689 V CA -0.894 61.408 62.300 0.003 0.000 0.908 689 V CB 1.858 33.562 31.823 -0.197 0.000 1.001 689 V HN 0.856 nan 8.190 nan 0.000 0.431 690 Q N 2.368 122.298 119.800 0.216 0.000 2.351 690 Q HA 0.583 4.922 4.340 -0.001 0.000 0.273 690 Q C -1.855 174.403 176.000 0.430 0.000 1.077 690 Q CA -0.515 55.442 55.803 0.258 0.000 0.843 690 Q CB 3.032 31.871 28.738 0.169 0.000 1.367 690 Q HN 0.879 nan 8.270 nan 0.000 0.449 691 W N 2.131 123.530 121.300 0.166 0.000 2.968 691 W HA 0.320 4.980 4.660 -0.001 0.000 0.337 691 W C -1.478 175.090 176.519 0.083 0.000 1.060 691 W CA -0.569 56.864 57.345 0.147 0.000 1.240 691 W CB 1.227 30.813 29.460 0.209 0.000 1.370 691 W HN 0.486 nan 8.180 nan 0.000 0.459 692 E N 4.434 124.703 120.200 0.114 0.000 2.145 692 E HA 0.311 4.660 4.350 -0.001 0.000 0.270 692 E C -0.577 175.899 176.600 -0.207 0.000 0.906 692 E CA -0.661 55.686 56.400 -0.088 0.000 0.761 692 E CB 2.507 32.217 29.700 0.017 0.000 1.116 692 E HN 0.262 nan 8.360 nan 0.000 0.408 693 E N 1.545 121.543 120.200 -0.335 0.000 2.317 693 E HA 0.366 4.716 4.350 -0.001 0.000 0.270 693 E C -1.053 175.449 176.600 -0.164 0.000 0.885 693 E CA -0.937 55.299 56.400 -0.273 0.000 0.760 693 E CB 2.774 32.189 29.700 -0.475 0.000 1.227 693 E HN 0.157 nan 8.360 nan 0.000 0.434 694 V N 2.348 122.210 119.914 -0.086 0.000 2.328 694 V HA 0.251 4.370 4.120 -0.001 0.000 0.278 694 V C 0.042 176.115 176.094 -0.034 0.000 1.021 694 V CA -0.642 61.626 62.300 -0.053 0.000 0.838 694 V CB 1.014 32.823 31.823 -0.023 0.000 0.999 694 V HN 0.706 nan 8.190 nan 0.000 0.447 695 C N 5.193 124.469 119.300 -0.040 0.000 2.370 695 C HA 0.538 4.997 4.460 -0.001 0.000 0.354 695 C C 0.751 175.757 174.990 0.026 0.000 1.218 695 C CA -0.748 58.267 59.018 -0.005 0.000 2.154 695 C CB 0.931 28.647 27.740 -0.040 0.000 2.391 695 C HN 0.786 nan 8.230 nan 0.000 0.540 696 R N 2.903 123.457 120.500 0.090 0.000 2.396 696 R HA 0.266 4.605 4.340 -0.001 0.000 0.292 696 R C -2.566 173.847 176.300 0.188 0.000 1.240 696 R CA -1.263 54.907 56.100 0.116 0.000 1.270 696 R CB 1.025 31.401 30.300 0.128 0.000 1.108 696 R HN 0.598 nan 8.270 nan 0.000 0.573 697 P HA -0.070 nan 4.420 nan 0.000 0.263 697 P C -0.052 177.310 177.300 0.103 0.000 1.195 697 P CA 0.072 63.154 63.100 -0.031 0.000 0.762 697 P CB 0.242 31.879 31.700 -0.104 0.000 0.799 698 W N 2.728 124.027 121.300 -0.001 0.000 3.220 698 W HA 0.453 5.112 4.660 -0.001 0.000 0.328 698 W C -0.909 175.614 176.519 0.007 0.000 1.205 698 W CA -0.420 56.928 57.345 0.006 0.000 1.773 698 W CB -0.182 29.286 29.460 0.013 0.000 1.086 698 W HN -0.119 nan 8.180 nan 0.000 0.622 699 V N 2.635 122.398 119.914 -0.252 0.000 2.680 699 V HA 0.506 4.625 4.120 -0.001 0.000 0.309 699 V C 0.382 176.399 176.094 -0.127 0.000 1.052 699 V CA -0.780 61.414 62.300 -0.177 0.000 0.908 699 V CB 1.759 33.412 31.823 -0.283 0.000 1.001 699 V HN 0.151 nan 8.190 nan 0.000 0.431 700 S N 2.403 118.067 115.700 -0.061 0.000 2.745 700 S HA 0.975 5.444 4.470 -0.001 0.000 0.292 700 S C 0.286 174.863 174.600 -0.037 0.000 1.133 700 S CA 0.064 58.238 58.200 -0.044 0.000 0.998 700 S CB 1.635 64.827 63.200 -0.014 0.000 1.087 700 S HN 2.228 nan 8.310 nan 0.000 0.551 701 G N 0.292 109.079 108.800 -0.021 0.000 2.627 701 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.214 701 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.214 701 G C -0.424 174.483 174.900 0.012 0.000 1.331 701 G CA -0.203 44.903 45.100 0.010 0.000 0.891 701 G HN 1.344 nan 8.290 nan 0.000 0.539 702 H N 2.273 121.322 119.070 -0.035 0.000 3.145 702 H HA 0.338 4.893 4.556 -0.001 0.000 0.263 702 H C 0.741 176.040 175.328 -0.048 0.000 1.057 702 H CA 0.464 56.491 56.048 -0.036 0.000 1.477 702 H CB 0.038 29.786 29.762 -0.024 0.000 1.529 702 H HN 0.488 nan 8.280 nan 0.000 0.508 703 R N 3.495 123.759 120.500 -0.392 0.000 3.024 703 R HA 0.512 4.851 4.340 -0.001 0.000 0.224 703 R C -0.479 175.552 176.300 -0.450 0.000 1.490 703 R CA -0.931 54.981 56.100 -0.314 0.000 1.057 703 R CB 0.997 31.153 30.300 -0.240 0.000 1.723 703 R HN 0.647 nan 8.270 nan 0.000 0.520 704 K N -0.491 119.747 120.400 -0.269 0.000 2.615 704 K HA 0.492 4.811 4.320 -0.001 0.000 0.291 704 K C -1.817 174.694 176.600 -0.149 0.000 1.017 704 K CA -0.518 55.642 56.287 -0.212 0.000 0.882 704 K CB 1.516 33.928 32.500 -0.146 0.000 1.522 704 K HN 0.339 nan 8.250 nan 0.000 0.412 705 L N 3.290 124.446 121.223 -0.112 0.000 2.406 705 L HA 0.531 4.870 4.340 -0.001 0.000 0.272 705 L C -1.187 175.652 176.870 -0.051 0.000 0.980 705 L CA -0.915 53.873 54.840 -0.086 0.000 0.831 705 L CB 1.653 43.661 42.059 -0.085 0.000 1.253 705 L HN 0.516 nan 8.230 nan 0.000 0.406 706 I N 2.903 123.450 120.570 -0.039 0.000 2.412 706 I HA 0.722 4.891 4.170 -0.001 0.000 0.296 706 I C 0.198 176.343 176.117 0.048 0.000 0.987 706 I CA -0.045 61.251 61.300 -0.007 0.000 1.180 706 I CB 1.923 39.898 38.000 -0.042 0.000 1.340 706 I HN 0.571 nan 8.210 nan 0.000 0.455 707 A N 4.029 126.902 122.820 0.088 0.000 2.413 707 A HA 0.954 5.274 4.320 -0.001 0.000 0.307 707 A C -0.523 177.155 177.584 0.155 0.000 1.087 707 A CA -0.387 51.733 52.037 0.139 0.000 0.750 707 A CB 1.653 20.730 19.000 0.128 0.000 1.296 707 A HN 0.750 nan 8.150 nan 0.000 0.423 708 S N 1.377 117.166 115.700 0.147 0.000 2.607 708 S HA 0.843 5.313 4.470 -0.001 0.000 0.273 708 S C -0.854 173.702 174.600 -0.073 0.000 1.148 708 S CA -0.620 57.603 58.200 0.039 0.000 0.833 708 S CB 1.819 65.082 63.200 0.104 0.000 1.130 708 S HN 1.092 nan 8.310 nan 0.000 0.470 709 M N 1.984 121.408 119.600 -0.293 0.000 2.550 709 M HA 0.699 5.178 4.480 -0.001 0.000 0.292 709 M C -1.597 174.539 176.300 -0.273 0.000 1.221 709 M CA -0.179 54.936 55.300 -0.309 0.000 0.873 709 M CB 2.066 34.276 32.600 -0.649 0.000 1.727 709 M HN 1.075 nan 8.290 nan 0.000 0.459 710 S N 2.062 117.685 115.700 -0.128 0.000 2.543 710 S HA 0.814 5.283 4.470 -0.001 0.000 0.273 710 S C -1.190 173.429 174.600 0.031 0.000 1.152 710 S CA -0.034 58.135 58.200 -0.051 0.000 0.910 710 S CB 1.417 64.609 63.200 -0.014 0.000 1.105 710 S HN 1.000 nan 8.310 nan 0.000 0.465 711 S N 2.814 118.532 115.700 0.029 0.000 2.840 711 S HA 0.581 5.050 4.470 -0.001 0.000 0.307 711 S C -0.284 174.359 174.600 0.071 0.000 1.180 711 S CA -0.564 57.666 58.200 0.051 0.000 0.846 711 S CB 0.795 64.006 63.200 0.018 0.000 1.233 711 S HN 0.508 nan 8.310 nan 0.000 0.548 712 D N 1.157 121.593 120.400 0.061 0.000 2.194 712 D HA 0.076 4.716 4.640 -0.001 0.000 0.204 712 D C 1.858 178.191 176.300 0.056 0.000 0.964 712 D CA 1.690 55.728 54.000 0.064 0.000 0.846 712 D CB -0.255 40.574 40.800 0.047 0.000 0.962 712 D HN 0.542 nan 8.370 nan 0.000 0.490 713 S N 0.395 116.123 115.700 0.046 0.000 2.400 713 S HA 0.076 4.545 4.470 -0.001 0.000 0.170 713 S C 0.722 175.351 174.600 0.048 0.000 0.917 713 S CA -0.456 57.770 58.200 0.042 0.000 1.028 713 S CB -0.380 62.842 63.200 0.036 0.000 0.810 713 S HN 0.085 nan 8.310 nan 0.000 0.504 714 L N 2.502 123.753 121.223 0.047 0.000 2.483 714 L HA 0.460 4.800 4.340 -0.001 0.000 0.276 714 L C 0.225 177.099 176.870 0.006 0.000 1.213 714 L CA 0.599 55.464 54.840 0.042 0.000 0.843 714 L CB 0.055 42.158 42.059 0.073 0.000 1.107 714 L HN 0.568 nan 8.230 nan 0.000 0.487 715 R N 1.534 122.036 120.500 0.004 0.000 2.728 715 R HA 0.240 4.579 4.340 -0.001 0.000 0.274 715 R C -0.936 175.363 176.300 -0.001 0.000 1.030 715 R CA -0.767 55.318 56.100 -0.025 0.000 0.876 715 R CB 0.726 31.055 30.300 0.048 0.000 1.259 715 R HN 0.730 nan 8.270 nan 0.000 0.468 716 H N -1.143 117.766 119.070 -0.269 0.000 2.880 716 H HA -0.106 4.449 4.556 -0.001 0.000 0.304 716 H C -1.841 173.163 175.328 -0.541 0.000 1.259 716 H CA 0.805 56.632 56.048 -0.369 0.000 1.153 716 H CB -0.861 28.848 29.762 -0.090 0.000 1.395 716 H HN 0.124 nan 8.280 nan 0.000 0.420 717 V N 2.290 121.741 119.914 -0.772 0.000 2.357 717 V HA 0.430 4.549 4.120 -0.001 0.000 0.284 717 V C -0.164 175.473 176.094 -0.762 0.000 1.018 717 V CA -0.421 61.539 62.300 -0.566 0.000 0.841 717 V CB 0.725 32.312 31.823 -0.394 0.000 0.991 717 V HN 0.299 nan 8.190 nan 0.000 0.437 718 Y N 2.236 122.467 120.300 -0.116 0.000 2.630 718 Y HA 0.929 5.478 4.550 -0.001 0.000 0.337 718 Y C 0.648 176.526 175.900 -0.036 0.000 1.051 718 Y CA -0.960 57.084 58.100 -0.093 0.000 1.121 718 Y CB 2.439 40.825 38.460 -0.122 0.000 1.299 718 Y HN 0.693 nan 8.280 nan 0.000 0.498 719 G N 0.145 109.038 108.800 0.156 0.000 2.703 719 G HA2 0.596 4.556 3.960 -0.001 0.000 0.294 719 G HA3 0.596 4.556 3.960 -0.001 0.000 0.294 719 G C -1.952 172.984 174.900 0.061 0.000 1.451 719 G CA -1.054 44.101 45.100 0.091 0.000 0.869 719 G HN 0.661 nan 8.290 nan 0.000 0.516 720 E N -0.088 120.130 120.200 0.031 0.000 2.446 720 E HA 0.821 5.170 4.350 -0.001 0.000 0.276 720 E C -1.602 174.993 176.600 -0.008 0.000 0.969 720 E CA -1.150 55.251 56.400 0.003 0.000 0.800 720 E CB 2.859 32.551 29.700 -0.014 0.000 1.341 720 E HN 0.484 nan 8.360 nan 0.000 0.460 721 L N 0.940 122.145 121.223 -0.031 0.000 2.513 721 L HA 0.404 4.743 4.340 -0.001 0.000 0.261 721 L C -1.818 175.006 176.870 -0.077 0.000 0.945 721 L CA -0.845 53.971 54.840 -0.041 0.000 0.848 721 L CB 2.267 44.301 42.059 -0.042 0.000 1.334 721 L HN 0.702 nan 8.230 nan 0.000 0.407 722 D N 3.109 123.465 120.400 -0.075 0.000 2.274 722 D HA 0.492 5.131 4.640 -0.001 0.000 0.239 722 D C -0.449 175.765 176.300 -0.144 0.000 1.104 722 D CA 0.166 54.083 54.000 -0.138 0.000 0.840 722 D CB 2.108 42.881 40.800 -0.046 0.000 1.100 722 D HN 0.313 nan 8.370 nan 0.000 0.477 723 V N 0.541 120.326 119.914 -0.216 0.000 2.864 723 V HA 0.725 4.845 4.120 -0.001 0.000 0.314 723 V C -1.172 174.818 176.094 -0.172 0.000 1.073 723 V CA -0.973 61.234 62.300 -0.156 0.000 0.956 723 V CB 2.108 33.849 31.823 -0.137 0.000 1.023 723 V HN 0.212 nan 8.190 nan 0.000 0.435 724 Q N 3.150 122.894 119.800 -0.095 0.000 2.327 724 Q HA 0.718 5.058 4.340 -0.001 0.000 0.270 724 Q C -0.965 175.002 176.000 -0.055 0.000 1.022 724 Q CA -0.347 55.421 55.803 -0.059 0.000 0.773 724 Q CB 1.906 30.637 28.738 -0.012 0.000 1.251 724 Q HN 0.809 nan 8.270 nan 0.000 0.457 725 I N 3.086 123.620 120.570 -0.060 0.000 2.321 725 I HA 0.221 4.390 4.170 -0.001 0.000 0.291 725 I C 0.194 176.293 176.117 -0.030 0.000 0.998 725 I CA -0.896 60.373 61.300 -0.052 0.000 1.227 725 I CB 1.031 38.986 38.000 -0.075 0.000 1.368 725 I HN 0.449 nan 8.210 nan 0.000 0.466 726 Q N 6.164 125.952 119.800 -0.020 0.000 2.256 726 Q HA 0.488 4.827 4.340 -0.001 0.000 0.232 726 Q C -0.151 175.845 176.000 -0.006 0.000 0.965 726 Q CA -0.715 55.082 55.803 -0.010 0.000 0.908 726 Q CB 1.234 29.967 28.738 -0.008 0.000 1.209 726 Q HN 0.546 nan 8.270 nan 0.000 0.489 727 R N 0.000 120.499 120.500 -0.001 0.000 2.786 727 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 727 R CA 0.000 56.102 56.100 0.004 0.000 0.921 727 R CB 0.000 30.303 30.300 0.005 0.000 0.687 727 R HN 0.000 nan 8.270 nan 0.000 0.535