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 2xnd_1_C DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.585 177.584 0.002 0.000 1.274 19 A CA 0.000 52.038 52.037 0.002 0.000 0.836 19 A CB 0.000 19.001 19.000 0.002 0.000 0.831 20 D N 1.311 121.712 120.400 0.002 0.000 2.453 20 D HA 0.538 5.178 4.640 -0.000 0.000 0.238 20 D C 0.552 176.853 176.300 0.002 0.000 1.088 20 D CA 0.722 54.724 54.000 0.002 0.000 0.854 20 D CB 1.047 41.848 40.800 0.003 0.000 1.076 20 D HN 0.146 nan 8.370 nan 0.000 0.533 21 T N -0.374 114.180 114.554 0.000 0.000 3.448 21 T HA 0.140 4.490 4.350 -0.000 0.000 0.271 21 T C 1.156 175.854 174.700 -0.003 0.000 1.002 21 T CA -0.336 61.763 62.100 -0.001 0.000 0.995 21 T CB -0.060 68.807 68.868 -0.001 0.000 1.153 21 T HN 0.184 nan 8.240 nan 0.000 0.510 22 S N 0.190 115.889 115.700 -0.003 0.000 2.527 22 S HA 0.138 4.608 4.470 -0.000 0.000 0.222 22 S C 0.650 175.246 174.600 -0.006 0.000 0.985 22 S CA -0.216 57.981 58.200 -0.004 0.000 0.921 22 S CB -0.221 62.978 63.200 -0.002 0.000 0.772 22 S HN 0.389 nan 8.310 nan 0.000 0.529 23 V N 4.403 124.315 119.914 -0.004 0.000 2.257 23 V HA 0.407 4.527 4.120 -0.000 0.000 0.269 23 V C -0.755 175.335 176.094 -0.007 0.000 1.040 23 V CA -0.794 61.503 62.300 -0.006 0.000 0.813 23 V CB 0.458 32.282 31.823 0.000 0.000 1.065 23 V HN 0.534 nan 8.190 nan 0.000 0.457 24 D N 4.151 124.542 120.400 -0.015 0.000 2.527 24 D HA 0.305 4.944 4.640 -0.000 0.000 0.233 24 D C 0.186 176.464 176.300 -0.036 0.000 1.063 24 D CA -0.906 53.083 54.000 -0.019 0.000 0.880 24 D CB 2.460 43.250 40.800 -0.017 0.000 1.457 24 D HN 0.258 nan 8.370 nan 0.000 0.475 25 L N 0.881 122.077 121.223 -0.045 0.000 2.930 25 L HA 0.123 4.463 4.340 -0.000 0.000 0.250 25 L C 1.141 177.957 176.870 -0.090 0.000 1.320 25 L CA 0.342 55.127 54.840 -0.091 0.000 1.163 25 L CB -0.506 41.486 42.059 -0.111 0.000 1.542 25 L HN 0.422 nan 8.230 nan 0.000 0.428 26 E N -0.834 119.327 120.200 -0.065 0.000 2.717 26 E HA 0.020 4.369 4.350 -0.000 0.000 0.204 26 E C 1.104 177.673 176.600 -0.052 0.000 0.911 26 E CA -0.002 56.364 56.400 -0.056 0.000 1.370 26 E CB 0.598 30.275 29.700 -0.039 0.000 1.315 26 E HN 0.325 nan 8.360 nan 0.000 0.643 27 E N 0.822 120.994 120.200 -0.046 0.000 2.431 27 E HA 0.053 4.403 4.350 -0.000 0.000 0.200 27 E C 0.685 177.254 176.600 -0.052 0.000 0.995 27 E CA 0.640 57.015 56.400 -0.043 0.000 0.915 27 E CB 1.095 30.776 29.700 -0.031 0.000 0.930 27 E HN 0.226 nan 8.360 nan 0.000 0.496 28 T N -1.955 112.565 114.554 -0.057 0.000 2.916 28 T HA 0.788 5.138 4.350 -0.000 0.000 0.292 28 T C 0.233 174.887 174.700 -0.077 0.000 1.055 28 T CA -0.725 61.337 62.100 -0.063 0.000 1.009 28 T CB 2.562 71.403 68.868 -0.044 0.000 1.118 28 T HN 0.003 nan 8.240 nan 0.000 0.497 29 G N 0.494 109.244 108.800 -0.082 0.000 2.695 29 G HA2 0.721 4.681 3.960 -0.000 0.000 0.290 29 G HA3 0.721 4.681 3.960 -0.000 0.000 0.290 29 G C -1.488 173.388 174.900 -0.040 0.000 1.410 29 G CA -1.341 43.714 45.100 -0.076 0.000 0.844 29 G HN 0.973 nan 8.290 nan 0.000 0.478 30 R N -1.131 119.377 120.500 0.013 0.000 2.807 30 R HA 0.708 5.048 4.340 -0.000 0.000 0.276 30 R C -1.070 175.272 176.300 0.070 0.000 0.979 30 R CA -0.834 55.293 56.100 0.045 0.000 0.928 30 R CB 1.595 31.934 30.300 0.066 0.000 1.191 30 R HN 0.326 nan 8.270 nan 0.000 0.471 31 V N 4.488 124.450 119.914 0.080 0.000 2.446 31 V HA 0.033 4.153 4.120 -0.000 0.000 0.276 31 V C 1.233 177.372 176.094 0.075 0.000 1.030 31 V CA -0.024 62.335 62.300 0.099 0.000 1.033 31 V CB 0.402 32.310 31.823 0.142 0.000 0.993 31 V HN 0.731 nan 8.190 nan 0.000 0.477 32 L N 3.860 125.124 121.223 0.069 0.000 2.068 32 L HA 0.078 4.417 4.340 -0.000 0.000 0.204 32 L C 0.954 177.843 176.870 0.031 0.000 1.076 32 L CA 1.117 55.982 54.840 0.042 0.000 0.753 32 L CB 0.198 42.280 42.059 0.039 0.000 0.910 32 L HN 0.857 nan 8.230 nan 0.000 0.439 33 S N -1.151 114.572 115.700 0.038 0.000 2.543 33 S HA 0.531 5.000 4.470 -0.000 0.000 0.271 33 S C -0.971 173.648 174.600 0.032 0.000 1.148 33 S CA -0.736 57.480 58.200 0.026 0.000 0.914 33 S CB 2.164 65.372 63.200 0.014 0.000 1.096 33 S HN 0.083 nan 8.310 nan 0.000 0.471 34 I N 2.004 122.586 120.570 0.020 0.000 2.439 34 I HA 0.811 4.981 4.170 -0.000 0.000 0.285 34 I C -0.330 175.782 176.117 -0.009 0.000 1.021 34 I CA 0.052 61.357 61.300 0.008 0.000 1.091 34 I CB 1.282 39.284 38.000 0.003 0.000 1.242 34 I HN 1.072 nan 8.210 nan 0.000 0.439 35 G N 4.441 113.231 108.800 -0.016 0.000 2.739 35 G HA2 0.419 4.379 3.960 -0.000 0.000 0.292 35 G HA3 0.419 4.379 3.960 -0.000 0.000 0.292 35 G C -1.132 173.752 174.900 -0.028 0.000 1.444 35 G CA -0.542 44.546 45.100 -0.021 0.000 1.144 35 G HN 0.595 nan 8.290 nan 0.000 0.550 36 D N 0.774 121.156 120.400 -0.030 0.000 2.689 36 D HA -0.171 4.469 4.640 -0.000 0.000 0.237 36 D C 1.613 177.889 176.300 -0.040 0.000 1.148 36 D CA 2.561 56.542 54.000 -0.031 0.000 0.656 36 D CB -1.165 39.618 40.800 -0.028 0.000 1.050 36 D HN 2.033 nan 8.370 nan 0.000 0.426 37 G N -1.260 107.510 108.800 -0.050 0.000 2.184 37 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.264 37 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.264 37 G C 0.211 175.070 174.900 -0.068 0.000 0.975 37 G CA 0.379 45.440 45.100 -0.065 0.000 0.642 37 G HN 0.496 nan 8.290 nan 0.000 0.536 38 I N 0.776 121.317 120.570 -0.048 0.000 2.404 38 I HA 0.720 4.890 4.170 -0.000 0.000 0.293 38 I C 0.320 176.436 176.117 -0.001 0.000 0.992 38 I CA -1.074 60.207 61.300 -0.032 0.000 1.149 38 I CB 1.437 39.416 38.000 -0.036 0.000 1.315 38 I HN 0.424 nan 8.210 nan 0.000 0.446 39 A N 7.298 130.143 122.820 0.040 0.000 2.363 39 A HA 0.609 4.929 4.320 -0.000 0.000 0.296 39 A C -0.243 177.389 177.584 0.080 0.000 1.237 39 A CA -0.802 51.290 52.037 0.092 0.000 0.773 39 A CB 0.828 19.959 19.000 0.217 0.000 1.153 39 A HN 0.564 nan 8.150 nan 0.000 0.473 40 R N 1.872 122.405 120.500 0.054 0.000 2.296 40 R HA 0.333 4.673 4.340 -0.000 0.000 0.323 40 R C -0.771 175.563 176.300 0.057 0.000 1.067 40 R CA -0.102 56.024 56.100 0.043 0.000 0.946 40 R CB 0.787 31.106 30.300 0.030 0.000 0.991 40 R HN 0.399 nan 8.270 nan 0.000 0.448 41 V N 4.042 123.983 119.914 0.045 0.000 2.384 41 V HA 0.106 4.226 4.120 -0.000 0.000 0.287 41 V C 0.159 176.287 176.094 0.057 0.000 1.020 41 V CA -0.909 61.415 62.300 0.041 0.000 0.850 41 V CB 1.212 33.024 31.823 -0.018 0.000 0.987 41 V HN 0.685 nan 8.190 nan 0.000 0.436 42 H N 3.519 122.583 119.070 -0.010 0.000 2.629 42 H HA 0.628 5.183 4.556 -0.000 0.000 0.357 42 H C 0.698 176.015 175.328 -0.019 0.000 1.121 42 H CA 1.392 57.433 56.048 -0.012 0.000 1.406 42 H CB 1.146 30.904 29.762 -0.006 0.000 1.456 42 H HN 1.012 nan 8.280 nan 0.000 0.579 43 G N 2.844 111.180 108.800 -0.773 0.000 2.554 43 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.253 43 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.253 43 G C -0.159 174.597 174.900 -0.239 0.000 1.172 43 G CA -0.334 44.455 45.100 -0.519 0.000 0.950 43 G HN 1.152 nan 8.290 nan 0.000 0.557 44 L N 0.096 121.222 121.223 -0.163 0.000 3.965 44 L HA -0.210 4.129 4.340 -0.000 0.000 0.499 44 L C 2.104 178.919 176.870 -0.091 0.000 1.194 44 L CA 0.712 55.487 54.840 -0.109 0.000 0.707 44 L CB -0.597 41.404 42.059 -0.097 0.000 1.414 44 L HN 0.609 nan 8.230 nan 0.000 0.802 45 R N 0.355 120.801 120.500 -0.089 0.000 2.153 45 R HA 0.021 4.361 4.340 -0.000 0.000 0.218 45 R C 1.299 177.572 176.300 -0.045 0.000 1.072 45 R CA 0.845 56.905 56.100 -0.067 0.000 0.990 45 R CB -0.028 30.233 30.300 -0.065 0.000 0.889 45 R HN 0.583 nan 8.270 nan 0.000 0.452 46 N N 0.151 118.825 118.700 -0.043 0.000 2.270 46 N HA -0.012 4.728 4.740 -0.000 0.000 0.198 46 N C 0.189 175.683 175.510 -0.028 0.000 1.117 46 N CA -0.003 53.029 53.050 -0.031 0.000 0.845 46 N CB 0.555 39.025 38.487 -0.028 0.000 0.980 46 N HN -0.094 nan 8.380 nan 0.000 0.486 47 V N 1.435 121.329 119.914 -0.034 0.000 2.740 47 V HA 0.009 4.129 4.120 -0.000 0.000 0.303 47 V C 0.168 176.252 176.094 -0.018 0.000 1.054 47 V CA -0.015 62.268 62.300 -0.029 0.000 1.106 47 V CB 0.867 32.666 31.823 -0.040 0.000 0.957 47 V HN 0.224 nan 8.190 nan 0.000 0.486 48 Q N 3.772 123.566 119.800 -0.009 0.000 2.193 48 Q HA 0.678 5.018 4.340 -0.000 0.000 0.246 48 Q C -0.094 175.909 176.000 0.005 0.000 0.959 48 Q CA -0.505 55.297 55.803 -0.000 0.000 0.904 48 Q CB 1.536 30.276 28.738 0.004 0.000 1.238 48 Q HN 0.945 nan 8.270 nan 0.000 0.469 49 A N 1.188 124.015 122.820 0.010 0.000 2.425 49 A HA 0.124 4.444 4.320 -0.000 0.000 0.249 49 A C 0.010 177.609 177.584 0.025 0.000 1.084 49 A CA 0.024 52.071 52.037 0.017 0.000 0.781 49 A CB -0.100 18.913 19.000 0.021 0.000 1.019 49 A HN 0.930 nan 8.150 nan 0.000 0.490 50 E N -0.706 119.513 120.200 0.032 0.000 2.791 50 E HA -0.201 4.149 4.350 -0.000 0.000 0.271 50 E C 0.084 176.716 176.600 0.053 0.000 1.044 50 E CA 1.179 57.608 56.400 0.048 0.000 0.814 50 E CB -1.315 28.412 29.700 0.044 0.000 1.400 50 E HN 0.858 nan 8.360 nan 0.000 0.423 51 E N 0.577 120.803 120.200 0.042 0.000 2.277 51 E HA 0.371 4.720 4.350 -0.000 0.000 0.274 51 E C -0.188 176.449 176.600 0.062 0.000 1.022 51 E CA -0.684 55.741 56.400 0.041 0.000 0.853 51 E CB 0.875 30.586 29.700 0.018 0.000 1.086 51 E HN 0.033 nan 8.360 nan 0.000 0.397 52 M N 4.115 123.759 119.600 0.073 0.000 2.233 52 M HA 0.194 4.674 4.480 -0.000 0.000 0.350 52 M C -1.194 175.136 176.300 0.051 0.000 1.176 52 M CA -0.319 55.043 55.300 0.104 0.000 1.150 52 M CB 1.063 33.725 32.600 0.104 0.000 1.530 52 M HN 0.273 nan 8.290 nan 0.000 0.459 53 V N 1.538 121.482 119.914 0.050 0.000 2.789 53 V HA 0.658 4.777 4.120 -0.000 0.000 0.311 53 V C -0.897 175.176 176.094 -0.034 0.000 1.073 53 V CA -0.839 61.434 62.300 -0.046 0.000 0.921 53 V CB 1.934 33.662 31.823 -0.158 0.000 1.009 53 V HN 0.837 nan 8.190 nan 0.000 0.426 54 E N 2.787 122.945 120.200 -0.070 0.000 2.134 54 E HA 0.505 4.855 4.350 -0.000 0.000 0.278 54 E C -1.299 175.259 176.600 -0.069 0.000 0.959 54 E CA -0.394 56.008 56.400 0.003 0.000 0.783 54 E CB 1.761 31.476 29.700 0.025 0.000 1.095 54 E HN 0.657 nan 8.360 nan 0.000 0.399 55 F N 0.700 120.671 119.950 0.034 0.000 2.375 55 F HA -0.027 4.500 4.527 -0.000 0.000 0.313 55 F C 2.022 177.836 175.800 0.023 0.000 1.176 55 F CA 0.046 58.062 58.000 0.027 0.000 1.142 55 F CB 0.920 39.937 39.000 0.029 0.000 1.275 55 F HN 0.433 nan 8.300 nan 0.000 0.544 56 S N -1.434 114.409 115.700 0.238 0.000 2.547 56 S HA -0.083 4.386 4.470 -0.000 0.000 0.235 56 S C 0.994 175.666 174.600 0.119 0.000 0.980 56 S CA 0.926 59.207 58.200 0.135 0.000 0.941 56 S CB -0.427 62.838 63.200 0.109 0.000 0.763 56 S HN 0.472 nan 8.310 nan 0.000 0.532 57 S N 0.027 115.816 115.700 0.149 0.000 2.578 57 S HA 0.566 5.036 4.470 -0.000 0.000 0.231 57 S C 1.424 176.073 174.600 0.082 0.000 0.994 57 S CA -0.006 58.247 58.200 0.087 0.000 0.956 57 S CB 0.572 63.801 63.200 0.048 0.000 0.870 57 S HN 0.898 nan 8.310 nan 0.000 0.494 58 G N 1.170 110.039 108.800 0.114 0.000 2.284 58 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.230 58 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.230 58 G C -0.048 174.926 174.900 0.123 0.000 1.021 58 G CA -0.264 44.895 45.100 0.097 0.000 0.619 58 G HN 0.357 nan 8.290 nan 0.000 0.510 59 L N 1.403 122.707 121.223 0.136 0.000 2.467 59 L HA 0.517 4.857 4.340 -0.000 0.000 0.270 59 L C 0.857 177.908 176.870 0.302 0.000 1.205 59 L CA 0.572 55.498 54.840 0.144 0.000 0.828 59 L CB 0.692 42.758 42.059 0.012 0.000 1.101 59 L HN 0.265 nan 8.230 nan 0.000 0.479 60 K N 0.808 121.389 120.400 0.301 0.000 2.207 60 K HA 0.770 5.090 4.320 -0.000 0.000 0.255 60 K C -0.180 176.729 176.600 0.516 0.000 0.941 60 K CA -0.689 55.827 56.287 0.382 0.000 0.825 60 K CB 1.804 34.469 32.500 0.275 0.000 1.119 60 K HN 0.734 nan 8.250 nan 0.000 0.430 61 G N 1.092 110.171 108.800 0.464 0.000 2.658 61 G HA2 0.650 4.610 3.960 -0.000 0.000 0.292 61 G HA3 0.650 4.610 3.960 -0.000 0.000 0.292 61 G C -1.626 173.369 174.900 0.158 0.000 1.320 61 G CA -0.775 44.502 45.100 0.295 0.000 0.933 61 G HN 0.498 nan 8.290 nan 0.000 0.476 62 M N 1.127 120.692 119.600 -0.059 0.000 2.190 62 M HA 0.426 4.906 4.480 -0.000 0.000 0.312 62 M C -0.445 175.844 176.300 -0.018 0.000 0.990 62 M CA -0.494 54.812 55.300 0.010 0.000 0.927 62 M CB 1.695 34.294 32.600 -0.002 0.000 1.571 62 M HN 0.343 nan 8.290 nan 0.000 0.427 63 S N 5.728 121.434 115.700 0.009 0.000 2.700 63 S HA 0.215 4.685 4.470 -0.000 0.000 0.321 63 S C 0.825 175.425 174.600 0.000 0.000 1.161 63 S CA -0.263 57.933 58.200 -0.006 0.000 1.078 63 S CB -0.162 63.032 63.200 -0.010 0.000 1.302 63 S HN 0.728 nan 8.310 nan 0.000 0.540 64 L N 2.096 123.312 121.223 -0.012 0.000 2.388 64 L HA 0.217 4.557 4.340 -0.000 0.000 0.209 64 L C 0.502 177.370 176.870 -0.003 0.000 1.061 64 L CA 0.368 55.205 54.840 -0.006 0.000 0.834 64 L CB 0.064 42.107 42.059 -0.027 0.000 1.029 64 L HN 0.359 nan 8.230 nan 0.000 0.473 65 N N 0.723 119.417 118.700 -0.011 0.000 2.421 65 N HA 0.385 5.124 4.740 -0.000 0.000 0.285 65 N C -0.700 174.808 175.510 -0.004 0.000 1.027 65 N CA -0.053 52.993 53.050 -0.006 0.000 0.918 65 N CB 1.968 40.448 38.487 -0.011 0.000 1.152 65 N HN 0.017 nan 8.380 nan 0.000 0.485 66 L N 2.034 123.257 121.223 -0.000 0.000 2.784 66 L HA 0.301 4.641 4.340 -0.000 0.000 0.241 66 L C 0.263 177.133 176.870 0.000 0.000 1.352 66 L CA -0.290 54.549 54.840 -0.002 0.000 0.911 66 L CB 0.343 42.402 42.059 -0.001 0.000 1.227 66 L HN 0.340 nan 8.230 nan 0.000 0.501 67 E N 0.848 121.050 120.200 0.002 0.000 2.371 67 E HA 0.105 4.455 4.350 -0.000 0.000 0.257 67 E C -1.404 175.201 176.600 0.008 0.000 1.134 67 E CA -1.403 55.000 56.400 0.005 0.000 0.919 67 E CB 0.758 30.462 29.700 0.006 0.000 1.025 67 E HN 0.113 nan 8.360 nan 0.000 0.438 68 P HA -0.193 nan 4.420 nan 0.000 0.215 68 P C 0.316 177.629 177.300 0.022 0.000 1.157 68 P CA 1.490 64.597 63.100 0.012 0.000 0.874 68 P CB 0.140 31.847 31.700 0.012 0.000 0.790 69 D N -2.043 118.377 120.400 0.033 0.000 2.431 69 D HA 0.060 4.700 4.640 -0.000 0.000 0.213 69 D C 0.134 176.490 176.300 0.093 0.000 1.130 69 D CA -0.156 53.883 54.000 0.065 0.000 0.834 69 D CB -0.405 40.431 40.800 0.060 0.000 0.985 69 D HN 0.376 nan 8.370 nan 0.000 0.504 70 N N -1.560 117.172 118.700 0.053 0.000 3.020 70 N HA 0.404 5.143 4.740 -0.000 0.000 0.248 70 N C -2.048 173.471 175.510 0.014 0.000 1.480 70 N CA -0.940 52.140 53.050 0.050 0.000 0.874 70 N CB 1.808 40.327 38.487 0.054 0.000 1.433 70 N HN -0.205 nan 8.380 nan 0.000 0.530 71 V N -0.095 119.823 119.914 0.007 0.000 2.483 71 V HA 0.725 4.845 4.120 -0.000 0.000 0.297 71 V C 0.260 176.354 176.094 0.000 0.000 1.027 71 V CA -0.640 61.656 62.300 -0.007 0.000 0.855 71 V CB 1.340 33.147 31.823 -0.027 0.000 0.995 71 V HN 0.896 nan 8.190 nan 0.000 0.424 72 G N 3.883 112.681 108.800 -0.002 0.000 2.338 72 G HA2 0.514 4.473 3.960 -0.000 0.000 0.295 72 G HA3 0.514 4.473 3.960 -0.000 0.000 0.295 72 G C -0.635 174.260 174.900 -0.008 0.000 1.132 72 G CA -0.147 44.951 45.100 -0.003 0.000 0.922 72 G HN 0.527 nan 8.290 nan 0.000 0.427 73 V N 3.306 123.226 119.914 0.011 0.000 2.513 73 V HA 0.307 4.427 4.120 -0.000 0.000 0.299 73 V C 0.082 176.175 176.094 -0.002 0.000 1.035 73 V CA -0.803 61.508 62.300 0.018 0.000 0.889 73 V CB 1.917 33.782 31.823 0.071 0.000 0.988 73 V HN 0.450 nan 8.190 nan 0.000 0.440 74 V N 5.636 125.495 119.914 -0.092 0.000 2.364 74 V HA 0.263 4.383 4.120 -0.000 0.000 0.272 74 V C 0.040 175.960 176.094 -0.290 0.000 1.036 74 V CA -0.318 61.863 62.300 -0.198 0.000 0.880 74 V CB 1.837 33.497 31.823 -0.272 0.000 0.991 74 V HN 0.654 nan 8.190 nan 0.000 0.460 75 V N 7.025 126.826 119.914 -0.188 0.000 2.427 75 V HA 0.191 4.311 4.120 -0.000 0.000 0.268 75 V C 0.479 176.492 176.094 -0.136 0.000 1.046 75 V CA -0.113 62.094 62.300 -0.155 0.000 0.970 75 V CB 0.547 32.256 31.823 -0.190 0.000 1.001 75 V HN 0.749 nan 8.190 nan 0.000 0.476 76 F N 4.410 124.389 119.950 0.048 0.000 2.740 76 F HA 0.491 5.018 4.527 -0.000 0.000 0.294 76 F C 1.264 177.076 175.800 0.020 0.000 1.225 76 F CA 0.355 58.385 58.000 0.051 0.000 1.426 76 F CB -0.224 38.819 39.000 0.072 0.000 1.021 76 F HN 0.684 nan 8.300 nan 0.000 0.508 77 G N -0.706 108.166 108.800 0.120 0.000 2.435 77 G HA2 0.013 3.973 3.960 -0.000 0.000 0.296 77 G HA3 0.013 3.973 3.960 -0.000 0.000 0.296 77 G C -1.279 173.619 174.900 -0.004 0.000 1.240 77 G CA -0.998 44.140 45.100 0.062 0.000 0.872 77 G HN -0.123 nan 8.290 nan 0.000 0.480 78 N N 2.032 120.723 118.700 -0.016 0.000 2.406 78 N HA 0.082 4.822 4.740 -0.000 0.000 0.265 78 N C 0.434 175.897 175.510 -0.078 0.000 1.203 78 N CA 0.209 53.239 53.050 -0.034 0.000 0.945 78 N CB 0.837 39.312 38.487 -0.019 0.000 1.165 78 N HN 0.580 nan 8.380 nan 0.000 0.485 79 D N 3.222 123.569 120.400 -0.088 0.000 2.332 79 D HA -0.106 4.533 4.640 -0.000 0.000 0.244 79 D C 1.080 177.322 176.300 -0.097 0.000 1.136 79 D CA 0.200 54.122 54.000 -0.130 0.000 0.884 79 D CB 0.126 40.855 40.800 -0.119 0.000 0.906 79 D HN 0.658 nan 8.370 nan 0.000 0.520 80 K N 0.452 120.811 120.400 -0.069 0.000 2.116 80 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 80 K C 2.169 178.740 176.600 -0.048 0.000 1.052 80 K CA 0.241 56.500 56.287 -0.047 0.000 0.952 80 K CB -0.436 32.047 32.500 -0.029 0.000 0.729 80 K HN 0.100 nan 8.250 nan 0.000 0.446 81 L N 1.287 122.475 121.223 -0.059 0.000 2.353 81 L HA 0.048 4.388 4.340 -0.000 0.000 0.220 81 L C 0.778 177.618 176.870 -0.050 0.000 1.133 81 L CA 0.448 55.259 54.840 -0.047 0.000 0.798 81 L CB -0.202 41.829 42.059 -0.046 0.000 0.922 81 L HN 0.192 nan 8.230 nan 0.000 0.445 82 I N 0.329 120.843 120.570 -0.093 0.000 2.315 82 I HA 0.140 4.310 4.170 -0.000 0.000 0.291 82 I C 0.130 176.235 176.117 -0.020 0.000 1.006 82 I CA -0.080 61.177 61.300 -0.073 0.000 1.265 82 I CB 0.835 38.707 38.000 -0.213 0.000 1.387 82 I HN 0.000 nan 8.210 nan 0.000 0.475 83 K N 4.720 125.132 120.400 0.020 0.000 2.303 83 K HA 0.446 4.766 4.320 -0.000 0.000 0.233 83 K C -0.381 176.244 176.600 0.043 0.000 1.046 83 K CA -0.989 55.311 56.287 0.023 0.000 0.895 83 K CB 1.309 33.822 32.500 0.021 0.000 1.220 83 K HN 0.474 nan 8.250 nan 0.000 0.470 84 E N -0.164 120.056 120.200 0.033 0.000 2.398 84 E HA 0.032 4.382 4.350 -0.000 0.000 0.263 84 E C 0.539 177.164 176.600 0.043 0.000 1.046 84 E CA 1.006 57.428 56.400 0.037 0.000 0.908 84 E CB 0.285 29.998 29.700 0.022 0.000 0.963 84 E HN 0.744 nan 8.360 nan 0.000 0.431 85 G N 3.473 112.302 108.800 0.048 0.000 2.212 85 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.266 85 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.266 85 G C 0.020 174.954 174.900 0.056 0.000 0.978 85 G CA 0.428 45.555 45.100 0.046 0.000 0.632 85 G HN 0.653 nan 8.290 nan 0.000 0.537 86 D N 0.470 120.915 120.400 0.075 0.000 2.400 86 D HA 0.337 4.977 4.640 -0.000 0.000 0.238 86 D C 1.069 177.419 176.300 0.084 0.000 1.157 86 D CA 0.049 54.105 54.000 0.094 0.000 0.889 86 D CB 0.451 41.337 40.800 0.143 0.000 1.199 86 D HN 0.122 nan 8.370 nan 0.000 0.436 87 I N 2.032 122.642 120.570 0.067 0.000 2.315 87 I HA 0.160 4.330 4.170 -0.000 0.000 0.291 87 I C 0.060 176.156 176.117 -0.035 0.000 1.006 87 I CA -0.524 60.787 61.300 0.018 0.000 1.265 87 I CB 0.848 38.856 38.000 0.014 0.000 1.387 87 I HN -0.039 nan 8.210 nan 0.000 0.475 88 V N 7.541 127.377 119.914 -0.129 0.000 2.483 88 V HA 0.483 4.602 4.120 -0.000 0.000 0.295 88 V C 0.113 176.093 176.094 -0.190 0.000 1.035 88 V CA -0.867 61.251 62.300 -0.302 0.000 0.896 88 V CB 2.014 33.548 31.823 -0.481 0.000 0.986 88 V HN 0.646 nan 8.190 nan 0.000 0.447 89 K N 3.286 123.581 120.400 -0.175 0.000 2.375 89 K HA 0.614 4.933 4.320 -0.000 0.000 0.249 89 K C -0.623 175.920 176.600 -0.096 0.000 0.942 89 K CA -0.990 55.235 56.287 -0.104 0.000 0.806 89 K CB 2.681 35.144 32.500 -0.061 0.000 1.227 89 K HN 0.506 nan 8.250 nan 0.000 0.430 90 R N 0.318 120.776 120.500 -0.070 0.000 2.734 90 R HA 0.045 4.384 4.340 -0.000 0.000 0.266 90 R C 0.492 176.773 176.300 -0.031 0.000 1.044 90 R CA 0.390 56.460 56.100 -0.051 0.000 1.128 90 R CB 0.410 30.686 30.300 -0.040 0.000 1.010 90 R HN 0.661 nan 8.270 nan 0.000 0.461 91 T N 0.000 114.544 114.554 -0.018 0.000 3.023 91 T HA 0.129 4.479 4.350 -0.000 0.000 0.249 91 T C 1.317 176.016 174.700 -0.002 0.000 1.050 91 T CA 0.493 62.591 62.100 -0.003 0.000 1.088 91 T CB 0.506 69.381 68.868 0.011 0.000 0.946 91 T HN 0.915 nan 8.240 nan 0.000 0.480 92 G N 1.880 110.677 108.800 -0.004 0.000 2.396 92 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 92 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 92 G C 0.368 175.271 174.900 0.004 0.000 1.069 92 G CA 0.033 45.132 45.100 -0.002 0.000 0.633 92 G HN 0.955 nan 8.290 nan 0.000 0.517 93 A N 1.398 124.223 122.820 0.008 0.000 2.331 93 A HA 0.681 5.001 4.320 -0.000 0.000 0.283 93 A C 0.588 178.184 177.584 0.020 0.000 1.142 93 A CA -0.460 51.584 52.037 0.012 0.000 0.812 93 A CB 0.404 19.410 19.000 0.010 0.000 1.074 93 A HN 0.573 nan 8.150 nan 0.000 0.497 94 I N 2.643 123.226 120.570 0.020 0.000 2.556 94 I HA 0.019 4.189 4.170 -0.000 0.000 0.284 94 I C 0.551 176.686 176.117 0.029 0.000 1.114 94 I CA 0.078 61.394 61.300 0.028 0.000 1.418 94 I CB 0.813 38.827 38.000 0.023 0.000 1.394 94 I HN 0.370 nan 8.210 nan 0.000 0.552 95 V N 7.352 127.294 119.914 0.047 0.000 2.703 95 V HA -0.151 3.968 4.120 -0.000 0.000 0.300 95 V C 0.343 176.440 176.094 0.005 0.000 1.063 95 V CA 0.691 63.015 62.300 0.041 0.000 1.240 95 V CB -0.923 30.951 31.823 0.085 0.000 0.845 95 V HN 0.873 nan 8.190 nan 0.000 0.476 96 D N 4.055 124.448 120.400 -0.012 0.000 2.596 96 D HA 0.684 5.324 4.640 -0.000 0.000 0.234 96 D C -0.655 175.623 176.300 -0.036 0.000 1.181 96 D CA -0.565 53.424 54.000 -0.018 0.000 0.856 96 D CB 2.307 43.103 40.800 -0.006 0.000 1.498 96 D HN 0.466 nan 8.370 nan 0.000 0.446 97 V N -4.223 115.671 119.914 -0.033 0.000 3.001 97 V HA 0.698 4.817 4.120 -0.000 0.000 0.314 97 V C -2.854 173.214 176.094 -0.043 0.000 1.099 97 V CA -2.385 59.889 62.300 -0.043 0.000 0.989 97 V CB 1.759 33.557 31.823 -0.042 0.000 1.040 97 V HN 0.476 nan 8.190 nan 0.000 0.434 98 P HA 0.218 nan 4.420 nan 0.000 0.266 98 P C -0.744 176.497 177.300 -0.097 0.000 1.195 98 P CA 0.278 63.335 63.100 -0.071 0.000 0.768 98 P CB 1.091 32.751 31.700 -0.066 0.000 0.838 99 V N 2.458 122.278 119.914 -0.157 0.000 2.808 99 V HA 0.825 4.945 4.120 -0.000 0.000 0.308 99 V C 0.374 176.132 176.094 -0.559 0.000 1.099 99 V CA 0.303 62.448 62.300 -0.258 0.000 0.920 99 V CB 1.885 33.631 31.823 -0.129 0.000 1.014 99 V HN 1.056 nan 8.190 nan 0.000 0.425 100 G N 3.458 111.657 108.800 -1.002 0.000 2.369 100 G HA2 0.113 4.073 3.960 -0.000 0.000 0.293 100 G HA3 0.113 4.073 3.960 -0.000 0.000 0.293 100 G C -0.115 174.214 174.900 -0.951 0.000 1.301 100 G CA -0.135 44.040 45.100 -1.542 0.000 0.913 100 G HN 0.533 nan 8.290 nan 0.000 0.540 101 E N -0.193 119.649 120.200 -0.596 0.000 2.358 101 E HA -0.001 4.348 4.350 -0.000 0.000 0.195 101 E C 1.835 178.407 176.600 -0.048 0.000 1.010 101 E CA 1.130 57.413 56.400 -0.194 0.000 0.856 101 E CB 0.183 29.855 29.700 -0.048 0.000 0.795 101 E HN 0.553 nan 8.360 nan 0.000 0.504 102 E N 0.663 120.801 120.200 -0.104 0.000 2.268 102 E HA -0.136 4.213 4.350 -0.000 0.000 0.195 102 E C 1.628 178.221 176.600 -0.011 0.000 0.995 102 E CA 0.600 56.974 56.400 -0.042 0.000 0.836 102 E CB -0.132 29.530 29.700 -0.064 0.000 0.763 102 E HN 0.220 nan 8.360 nan 0.000 0.491 103 L N 0.155 121.368 121.223 -0.017 0.000 2.478 103 L HA 0.023 4.362 4.340 -0.000 0.000 0.223 103 L C 0.432 177.341 176.870 0.064 0.000 1.140 103 L CA 0.097 54.946 54.840 0.015 0.000 0.842 103 L CB -0.284 41.778 42.059 0.005 0.000 0.953 103 L HN 0.079 nan 8.230 nan 0.000 0.452 104 L N 0.962 122.252 121.223 0.112 0.000 2.500 104 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 104 L C 1.267 178.188 176.870 0.085 0.000 1.149 104 L CA 0.610 55.536 54.840 0.144 0.000 0.897 104 L CB 0.053 42.259 42.059 0.246 0.000 1.178 104 L HN 0.330 nan 8.230 nan 0.000 0.473 105 G N 1.998 110.826 108.800 0.046 0.000 2.179 105 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.220 105 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.220 105 G C 0.242 175.144 174.900 0.004 0.000 0.990 105 G CA -0.648 44.457 45.100 0.008 0.000 0.646 105 G HN 0.433 nan 8.290 nan 0.000 0.517 106 R N -0.186 120.324 120.500 0.016 0.000 2.720 106 R HA 0.716 5.055 4.340 -0.000 0.000 0.272 106 R C -0.332 175.977 176.300 0.014 0.000 0.991 106 R CA -0.765 55.342 56.100 0.011 0.000 1.010 106 R CB 1.578 31.885 30.300 0.012 0.000 1.141 106 R HN 0.234 nan 8.270 nan 0.000 0.494 107 V N 2.643 122.564 119.914 0.011 0.000 2.313 107 V HA 0.257 4.377 4.120 -0.000 0.000 0.278 107 V C 0.227 176.331 176.094 0.017 0.000 1.017 107 V CA -0.779 61.532 62.300 0.019 0.000 0.823 107 V CB 1.176 33.008 31.823 0.016 0.000 1.010 107 V HN 0.557 nan 8.190 nan 0.000 0.443 108 V N 1.502 121.429 119.914 0.021 0.000 2.850 108 V HA 0.760 4.879 4.120 -0.000 0.000 0.315 108 V C 0.034 176.136 176.094 0.014 0.000 1.064 108 V CA -0.824 61.483 62.300 0.012 0.000 0.979 108 V CB 1.902 33.728 31.823 0.005 0.000 1.039 108 V HN 0.769 nan 8.190 nan 0.000 0.452 109 D N 2.624 123.026 120.400 0.004 0.000 2.414 109 D HA 0.370 5.010 4.640 -0.000 0.000 0.259 109 D C 1.252 177.546 176.300 -0.011 0.000 1.269 109 D CA 0.057 54.059 54.000 0.003 0.000 1.028 109 D CB 1.008 41.807 40.800 -0.001 0.000 1.093 109 D HN 0.783 nan 8.370 nan 0.000 0.545 110 A N -0.630 122.181 122.820 -0.015 0.000 2.076 110 A HA -0.074 4.245 4.320 -0.000 0.000 0.220 110 A C 2.183 179.709 177.584 -0.097 0.000 1.160 110 A CA 1.034 53.050 52.037 -0.035 0.000 0.653 110 A CB -0.748 18.241 19.000 -0.017 0.000 0.801 110 A HN 0.530 nan 8.150 nan 0.000 0.455 111 L N -1.888 119.262 121.223 -0.121 0.000 2.640 111 L HA 0.297 4.637 4.340 -0.000 0.000 0.230 111 L C 1.448 178.265 176.870 -0.087 0.000 1.123 111 L CA 0.507 55.254 54.840 -0.155 0.000 0.900 111 L CB 0.291 42.224 42.059 -0.210 0.000 1.146 111 L HN 0.529 nan 8.230 nan 0.000 0.484 112 G N -0.060 108.707 108.800 -0.054 0.000 2.131 112 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.223 112 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.223 112 G C -0.260 174.623 174.900 -0.028 0.000 0.990 112 G CA -0.405 44.674 45.100 -0.035 0.000 0.671 112 G HN 0.341 nan 8.290 nan 0.000 0.521 113 N N 0.997 119.681 118.700 -0.026 0.000 2.444 113 N HA 0.590 5.329 4.740 -0.000 0.000 0.271 113 N C 0.469 175.975 175.510 -0.007 0.000 1.069 113 N CA 0.522 53.562 53.050 -0.017 0.000 0.965 113 N CB 1.499 39.977 38.487 -0.015 0.000 1.092 113 N HN 0.734 nan 8.380 nan 0.000 0.476 114 A N 2.121 124.938 122.820 -0.006 0.000 2.522 114 A HA 0.170 4.490 4.320 -0.000 0.000 0.256 114 A C 1.132 178.717 177.584 0.002 0.000 1.086 114 A CA -0.079 51.957 52.037 -0.001 0.000 0.763 114 A CB -0.771 18.228 19.000 -0.002 0.000 1.024 114 A HN 0.857 nan 8.150 nan 0.000 0.502 115 I N -0.501 120.073 120.570 0.006 0.000 4.009 115 I HA 0.258 4.428 4.170 -0.000 0.000 0.331 115 I C 0.265 176.387 176.117 0.008 0.000 1.462 115 I CA -0.061 61.245 61.300 0.008 0.000 1.117 115 I CB 0.447 38.455 38.000 0.013 0.000 1.091 115 I HN 0.448 nan 8.210 nan 0.000 0.410 116 D N 0.883 121.286 120.400 0.005 0.000 2.349 116 D HA 0.162 4.802 4.640 -0.000 0.000 0.214 116 D C 1.519 177.819 176.300 0.001 0.000 1.063 116 D CA 0.346 54.347 54.000 0.002 0.000 0.847 116 D CB 0.065 40.865 40.800 0.000 0.000 0.933 116 D HN 0.363 nan 8.370 nan 0.000 0.513 117 G N 0.974 109.775 108.800 0.002 0.000 2.272 117 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.280 117 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.280 117 G C 0.272 175.172 174.900 -0.000 0.000 1.067 117 G CA 0.184 45.285 45.100 0.001 0.000 0.902 117 G HN 0.431 nan 8.290 nan 0.000 0.500 118 K N 0.166 120.566 120.400 -0.000 0.000 2.861 118 K HA 0.498 4.817 4.320 -0.000 0.000 0.210 118 K C 1.115 177.715 176.600 -0.001 0.000 1.112 118 K CA 0.127 56.414 56.287 -0.001 0.000 1.076 118 K CB 0.531 33.031 32.500 -0.001 0.000 0.853 118 K HN 1.570 nan 8.250 nan 0.000 0.463 119 G N 2.268 111.067 108.800 -0.001 0.000 2.755 119 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.686 119 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.686 119 G C -2.603 172.295 174.900 -0.003 0.000 1.427 119 G CA -1.311 43.788 45.100 -0.002 0.000 0.873 119 G HN 0.062 nan 8.290 nan 0.000 0.580 120 P HA 0.267 nan 4.420 nan 0.000 0.270 120 P C 0.634 177.927 177.300 -0.012 0.000 1.221 120 P CA -0.382 62.713 63.100 -0.008 0.000 0.788 120 P CB 0.334 32.029 31.700 -0.008 0.000 0.904 121 I N 1.096 121.656 120.570 -0.017 0.000 2.396 121 I HA 0.106 4.276 4.170 -0.000 0.000 0.289 121 I C 1.565 177.664 176.117 -0.030 0.000 1.056 121 I CA 0.155 61.441 61.300 -0.024 0.000 1.365 121 I CB 0.062 38.042 38.000 -0.032 0.000 1.407 121 I HN 0.478 nan 8.210 nan 0.000 0.509 122 G N 4.929 113.711 108.800 -0.029 0.000 3.375 122 G HA2 0.053 4.013 3.960 -0.000 0.000 0.247 122 G HA3 0.053 4.013 3.960 -0.000 0.000 0.247 122 G C 0.698 175.569 174.900 -0.048 0.000 1.343 122 G CA -0.235 44.846 45.100 -0.030 0.000 1.368 122 G HN 0.706 nan 8.290 nan 0.000 0.549 123 S N -1.028 114.634 115.700 -0.063 0.000 2.565 123 S HA 0.323 4.792 4.470 -0.000 0.000 0.276 123 S C 1.049 175.603 174.600 -0.076 0.000 1.326 123 S CA -0.476 57.666 58.200 -0.096 0.000 1.045 123 S CB 2.332 65.461 63.200 -0.119 0.000 0.918 123 S HN 0.335 nan 8.310 nan 0.000 0.505 124 K N 2.335 122.686 120.400 -0.082 0.000 2.190 124 K HA 0.362 4.682 4.320 -0.000 0.000 0.202 124 K C 0.813 177.384 176.600 -0.048 0.000 1.045 124 K CA 0.649 56.904 56.287 -0.052 0.000 0.976 124 K CB -0.085 32.393 32.500 -0.036 0.000 0.849 124 K HN 0.852 nan 8.250 nan 0.000 0.468 125 A N 0.918 123.700 122.820 -0.063 0.000 2.269 125 A HA 0.618 4.937 4.320 -0.000 0.000 0.319 125 A C -0.900 176.648 177.584 -0.060 0.000 1.110 125 A CA -0.623 51.389 52.037 -0.041 0.000 0.847 125 A CB 0.739 19.738 19.000 -0.002 0.000 1.161 125 A HN 0.313 nan 8.150 nan 0.000 0.497 126 R N 0.020 120.500 120.500 -0.032 0.000 2.621 126 R HA 0.546 4.886 4.340 -0.000 0.000 0.284 126 R C -0.775 175.520 176.300 -0.009 0.000 0.998 126 R CA -0.675 55.406 56.100 -0.032 0.000 0.895 126 R CB 2.573 32.857 30.300 -0.026 0.000 1.195 126 R HN 0.795 nan 8.270 nan 0.000 0.450 127 R N 1.661 122.158 120.500 -0.005 0.000 2.740 127 R HA 0.405 4.745 4.340 -0.000 0.000 0.282 127 R C -0.466 175.841 176.300 0.012 0.000 0.969 127 R CA -0.836 55.273 56.100 0.015 0.000 0.918 127 R CB 1.710 32.032 30.300 0.037 0.000 1.175 127 R HN 0.505 nan 8.270 nan 0.000 0.464 128 R N 0.962 121.472 120.500 0.017 0.000 2.734 128 R HA 0.008 4.347 4.340 -0.000 0.000 0.266 128 R C 1.311 177.625 176.300 0.023 0.000 1.044 128 R CA 0.183 56.292 56.100 0.016 0.000 1.128 128 R CB 0.838 31.149 30.300 0.019 0.000 1.010 128 R HN 0.564 nan 8.270 nan 0.000 0.461 129 V N -0.166 119.756 119.914 0.014 0.000 2.878 129 V HA 0.168 4.288 4.120 -0.000 0.000 0.250 129 V C 1.128 177.241 176.094 0.031 0.000 1.075 129 V CA 1.264 63.583 62.300 0.031 0.000 1.096 129 V CB 0.081 31.905 31.823 0.002 0.000 0.724 129 V HN 0.806 nan 8.190 nan 0.000 0.467 130 G N 1.482 110.281 108.800 -0.002 0.000 3.709 130 G HA2 0.505 4.465 3.960 -0.000 0.000 0.272 130 G HA3 0.505 4.465 3.960 -0.000 0.000 0.272 130 G C -0.085 174.828 174.900 0.022 0.000 1.259 130 G CA -0.308 44.786 45.100 -0.009 0.000 1.512 130 G HN 0.436 nan 8.290 nan 0.000 0.625 131 L N 0.651 121.897 121.223 0.039 0.000 2.296 131 L HA 0.390 4.730 4.340 -0.000 0.000 0.286 131 L C 0.642 177.535 176.870 0.039 0.000 1.023 131 L CA -0.942 53.921 54.840 0.038 0.000 0.812 131 L CB 1.967 44.049 42.059 0.038 0.000 1.223 131 L HN 0.134 nan 8.230 nan 0.000 0.421 132 K N 2.662 123.085 120.400 0.038 0.000 2.414 132 K HA 0.319 4.639 4.320 -0.000 0.000 0.272 132 K C 0.087 176.700 176.600 0.022 0.000 0.993 132 K CA -0.376 55.934 56.287 0.037 0.000 0.964 132 K CB 0.947 33.474 32.500 0.045 0.000 0.925 132 K HN 0.689 nan 8.250 nan 0.000 0.487 133 A N 5.078 127.906 122.820 0.013 0.000 2.520 133 A HA 0.205 4.525 4.320 -0.000 0.000 0.235 133 A C -2.157 175.419 177.584 -0.013 0.000 1.065 133 A CA -1.023 51.012 52.037 -0.003 0.000 0.764 133 A CB -0.479 18.515 19.000 -0.009 0.000 1.002 133 A HN 0.621 nan 8.150 nan 0.000 0.502 134 P HA 0.234 nan 4.420 nan 0.000 0.268 134 P C 0.777 178.031 177.300 -0.076 0.000 1.205 134 P CA 0.512 63.569 63.100 -0.073 0.000 0.771 134 P CB 0.522 32.152 31.700 -0.117 0.000 0.858 135 G N 1.260 110.008 108.800 -0.087 0.000 2.529 135 G HA2 0.045 4.005 3.960 -0.000 0.000 0.277 135 G HA3 0.045 4.005 3.960 -0.000 0.000 0.277 135 G C 0.973 175.818 174.900 -0.092 0.000 1.383 135 G CA -0.368 44.691 45.100 -0.070 0.000 1.050 135 G HN 0.361 nan 8.290 nan 0.000 0.526 136 I N -0.541 119.990 120.570 -0.066 0.000 2.252 136 I HA -0.074 4.096 4.170 -0.000 0.000 0.245 136 I C 2.598 178.661 176.117 -0.091 0.000 1.102 136 I CA 0.592 61.856 61.300 -0.061 0.000 1.385 136 I CB -0.322 37.659 38.000 -0.031 0.000 1.064 136 I HN 0.271 nan 8.210 nan 0.000 0.414 137 I N 0.771 121.279 120.570 -0.102 0.000 2.163 137 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 137 I C -0.738 175.234 176.117 -0.242 0.000 1.085 137 I CA 1.742 62.977 61.300 -0.108 0.000 1.347 137 I CB -1.650 36.325 38.000 -0.043 0.000 1.044 137 I HN 0.159 nan 8.210 nan 0.000 0.408 138 P HA 0.025 nan 4.420 nan 0.000 0.263 138 P C -0.194 176.847 177.300 -0.431 0.000 1.386 138 P CA 0.560 63.064 63.100 -0.992 0.000 0.797 138 P CB -0.019 30.833 31.700 -1.413 0.000 1.381 139 R N -0.344 120.025 120.500 -0.217 0.000 2.892 139 R HA 0.776 5.116 4.340 -0.000 0.000 0.265 139 R C -0.703 175.569 176.300 -0.046 0.000 1.025 139 R CA -0.987 55.048 56.100 -0.109 0.000 0.982 139 R CB 2.045 32.291 30.300 -0.089 0.000 1.185 139 R HN -0.004 nan 8.270 nan 0.000 0.484 140 I N -0.480 120.078 120.570 -0.020 0.000 2.913 140 I HA 0.224 4.394 4.170 -0.000 0.000 0.302 140 I C -0.706 175.413 176.117 0.003 0.000 1.246 140 I CA -0.489 60.811 61.300 0.001 0.000 1.010 140 I CB 2.598 40.609 38.000 0.019 0.000 1.259 140 I HN 0.530 nan 8.210 nan 0.000 0.434 141 S N 3.696 119.399 115.700 0.005 0.000 2.546 141 S HA 0.106 4.576 4.470 -0.000 0.000 0.290 141 S C -0.291 174.313 174.600 0.006 0.000 1.290 141 S CA -0.490 57.713 58.200 0.004 0.000 1.069 141 S CB 0.345 63.547 63.200 0.004 0.000 0.846 141 S HN 0.336 nan 8.310 nan 0.000 0.495 142 V N 6.218 126.134 119.914 0.003 0.000 2.434 142 V HA 0.066 4.186 4.120 -0.000 0.000 0.281 142 V C 1.178 177.269 176.094 -0.004 0.000 1.005 142 V CA 0.730 63.031 62.300 0.002 0.000 1.089 142 V CB -0.221 31.601 31.823 -0.001 0.000 0.978 142 V HN 0.842 nan 8.190 nan 0.000 0.474 143 R N 1.930 122.426 120.500 -0.007 0.000 2.444 143 R HA 0.199 4.539 4.340 -0.000 0.000 0.201 143 R C 0.282 176.562 176.300 -0.033 0.000 0.861 143 R CA -0.292 55.799 56.100 -0.014 0.000 1.034 143 R CB 0.529 30.825 30.300 -0.007 0.000 1.347 143 R HN 0.661 nan 8.270 nan 0.000 0.659 144 E N 4.151 124.321 120.200 -0.050 0.000 2.366 144 E HA 0.061 4.410 4.350 -0.000 0.000 0.266 144 E C -2.320 174.214 176.600 -0.111 0.000 1.015 144 E CA -1.723 54.617 56.400 -0.100 0.000 0.906 144 E CB 0.605 30.206 29.700 -0.165 0.000 0.979 144 E HN 0.007 nan 8.360 nan 0.000 0.443 145 P HA 0.023 nan 4.420 nan 0.000 0.280 145 P C -0.582 176.623 177.300 -0.158 0.000 1.300 145 P CA -0.180 62.857 63.100 -0.105 0.000 0.785 145 P CB 0.534 32.189 31.700 -0.075 0.000 0.874 146 M N 4.483 124.006 119.600 -0.128 0.000 2.557 146 M HA 0.085 4.565 4.480 -0.000 0.000 0.328 146 M C 0.060 176.294 176.300 -0.111 0.000 1.423 146 M CA 0.011 55.223 55.300 -0.147 0.000 1.418 146 M CB -0.374 32.167 32.600 -0.097 0.000 1.381 146 M HN 0.318 nan 8.290 nan 0.000 0.467 147 Q N 2.323 122.037 119.800 -0.144 0.000 2.296 147 Q HA 0.118 4.457 4.340 -0.000 0.000 0.262 147 Q C 1.328 177.331 176.000 0.006 0.000 0.981 147 Q CA 0.184 55.965 55.803 -0.037 0.000 0.905 147 Q CB 0.747 29.511 28.738 0.042 0.000 1.186 147 Q HN 0.717 nan 8.270 nan 0.000 0.399 148 T N -1.257 113.311 114.554 0.023 0.000 3.009 148 T HA 0.159 4.509 4.350 -0.000 0.000 0.258 148 T C 1.264 175.997 174.700 0.055 0.000 1.063 148 T CA 0.787 62.907 62.100 0.033 0.000 1.139 148 T CB 0.184 69.064 68.868 0.020 0.000 0.890 148 T HN 0.790 nan 8.240 nan 0.000 0.471 149 G N 1.430 110.265 108.800 0.059 0.000 2.258 149 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.233 149 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.233 149 G C 0.043 174.965 174.900 0.036 0.000 1.006 149 G CA -0.062 45.071 45.100 0.056 0.000 0.620 149 G HN 0.563 nan 8.290 nan 0.000 0.511 150 I N 2.023 122.610 120.570 0.028 0.000 2.471 150 I HA 0.200 4.370 4.170 -0.000 0.000 0.286 150 I C 1.650 177.780 176.117 0.022 0.000 1.079 150 I CA 0.105 61.417 61.300 0.019 0.000 1.398 150 I CB 1.037 39.044 38.000 0.012 0.000 1.403 150 I HN 0.170 nan 8.210 nan 0.000 0.530 151 K N 4.877 125.290 120.400 0.022 0.000 2.032 151 K HA -0.181 4.138 4.320 -0.000 0.000 0.209 151 K C 1.907 178.521 176.600 0.022 0.000 1.048 151 K CA 1.901 58.203 56.287 0.026 0.000 0.927 151 K CB 0.051 32.569 32.500 0.029 0.000 0.712 151 K HN 0.777 nan 8.250 nan 0.000 0.441 152 A N 0.701 123.532 122.820 0.017 0.000 2.015 152 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 152 A C 2.265 179.860 177.584 0.018 0.000 1.163 152 A CA 1.131 53.178 52.037 0.017 0.000 0.646 152 A CB -0.277 18.731 19.000 0.014 0.000 0.806 152 A HN 0.074 nan 8.150 nan 0.000 0.448 153 V N 0.126 120.051 119.914 0.017 0.000 2.331 153 V HA -0.142 3.977 4.120 -0.000 0.000 0.242 153 V C 1.925 178.029 176.094 0.016 0.000 1.034 153 V CA 1.883 64.194 62.300 0.017 0.000 1.027 153 V CB -0.632 31.200 31.823 0.015 0.000 0.667 153 V HN 0.475 nan 8.190 nan 0.000 0.457 154 D N 0.420 120.831 120.400 0.018 0.000 2.310 154 D HA -0.094 4.546 4.640 -0.000 0.000 0.212 154 D C 2.248 178.559 176.300 0.018 0.000 0.965 154 D CA 1.661 55.671 54.000 0.017 0.000 0.879 154 D CB 0.190 41.004 40.800 0.023 0.000 0.921 154 D HN 0.617 nan 8.370 nan 0.000 0.510 155 S N -0.757 114.954 115.700 0.019 0.000 2.506 155 S HA 0.087 4.556 4.470 -0.000 0.000 0.230 155 S C 2.066 176.675 174.600 0.016 0.000 1.066 155 S CA -0.150 58.061 58.200 0.019 0.000 0.940 155 S CB -0.111 63.101 63.200 0.021 0.000 0.818 155 S HN 0.114 nan 8.310 nan 0.000 0.518 156 L N 1.535 122.768 121.223 0.017 0.000 2.189 156 L HA 0.316 4.656 4.340 -0.000 0.000 0.199 156 L C 0.702 177.584 176.870 0.020 0.000 1.074 156 L CA 0.425 55.277 54.840 0.019 0.000 0.783 156 L CB -0.061 42.012 42.059 0.023 0.000 0.955 156 L HN 0.345 nan 8.230 nan 0.000 0.460 157 V N -2.145 117.781 119.914 0.020 0.000 2.326 157 V HA 0.414 4.534 4.120 -0.000 0.000 0.254 157 V C -2.589 173.513 176.094 0.014 0.000 1.022 157 V CA -1.897 60.415 62.300 0.020 0.000 1.074 157 V CB -0.363 31.476 31.823 0.027 0.000 1.305 157 V HN -0.038 nan 8.190 nan 0.000 0.506 158 P HA 0.427 nan 4.420 nan 0.000 0.272 158 P C -0.423 176.876 177.300 -0.002 0.000 1.223 158 P CA 0.067 63.169 63.100 0.004 0.000 0.784 158 P CB 1.741 33.442 31.700 0.002 0.000 0.923 159 I N 0.967 121.531 120.570 -0.010 0.000 2.433 159 I HA 0.502 4.672 4.170 -0.000 0.000 0.292 159 I C 0.910 177.009 176.117 -0.031 0.000 1.001 159 I CA -0.551 60.739 61.300 -0.017 0.000 1.119 159 I CB 2.086 40.075 38.000 -0.018 0.000 1.289 159 I HN 0.331 nan 8.210 nan 0.000 0.438 160 G N 4.366 113.149 108.800 -0.028 0.000 2.441 160 G HA2 0.535 4.495 3.960 -0.000 0.000 0.334 160 G HA3 0.535 4.495 3.960 -0.000 0.000 0.334 160 G C -0.554 174.324 174.900 -0.037 0.000 1.161 160 G CA -0.846 44.232 45.100 -0.038 0.000 0.935 160 G HN 0.516 nan 8.290 nan 0.000 0.488 161 R N 0.198 120.669 120.500 -0.048 0.000 2.343 161 R HA 0.401 4.741 4.340 -0.000 0.000 0.326 161 R C 1.069 177.385 176.300 0.027 0.000 1.055 161 R CA 1.010 57.098 56.100 -0.020 0.000 0.961 161 R CB 0.637 30.905 30.300 -0.053 0.000 0.978 161 R HN 1.068 nan 8.270 nan 0.000 0.443 162 G N 1.833 110.649 108.800 0.026 0.000 2.184 162 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.206 162 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.206 162 G C 0.079 174.985 174.900 0.009 0.000 0.995 162 G CA -0.179 44.936 45.100 0.025 0.000 0.651 162 G HN 0.576 nan 8.290 nan 0.000 0.511 163 Q N 0.095 119.896 119.800 0.001 0.000 2.221 163 Q HA 0.704 5.043 4.340 -0.000 0.000 0.242 163 Q C -0.278 175.721 176.000 -0.002 0.000 0.940 163 Q CA -0.709 55.093 55.803 -0.002 0.000 0.896 163 Q CB 0.613 29.347 28.738 -0.006 0.000 1.226 163 Q HN 0.271 nan 8.270 nan 0.000 0.463 164 R N 1.943 122.443 120.500 -0.001 0.000 2.387 164 R HA 0.359 4.698 4.340 -0.000 0.000 0.314 164 R C -1.318 174.981 176.300 -0.002 0.000 0.958 164 R CA -0.525 55.575 56.100 0.001 0.000 0.846 164 R CB 1.614 31.914 30.300 0.000 0.000 1.147 164 R HN 0.524 nan 8.270 nan 0.000 0.447 165 E N 2.265 122.463 120.200 -0.003 0.000 2.234 165 E HA 0.394 4.744 4.350 -0.000 0.000 0.266 165 E C -1.614 174.985 176.600 -0.002 0.000 0.877 165 E CA -0.928 55.472 56.400 -0.001 0.000 0.758 165 E CB 1.243 30.943 29.700 0.000 0.000 1.170 165 E HN 0.353 nan 8.360 nan 0.000 0.415 166 L N 4.869 126.091 121.223 -0.002 0.000 2.334 166 L HA 0.577 4.917 4.340 -0.000 0.000 0.277 166 L C -1.039 175.840 176.870 0.014 0.000 1.075 166 L CA -0.205 54.631 54.840 -0.006 0.000 0.804 166 L CB 0.918 42.963 42.059 -0.022 0.000 1.174 166 L HN 0.653 nan 8.230 nan 0.000 0.438 167 I N 6.272 126.850 120.570 0.013 0.000 2.355 167 I HA 0.438 4.608 4.170 -0.000 0.000 0.288 167 I C -0.457 175.689 176.117 0.048 0.000 0.999 167 I CA -0.196 61.124 61.300 0.034 0.000 1.163 167 I CB 1.423 39.437 38.000 0.023 0.000 1.316 167 I HN 0.541 nan 8.210 nan 0.000 0.454 168 I N 4.878 125.513 120.570 0.108 0.000 2.730 168 I HA 0.903 5.073 4.170 -0.000 0.000 0.298 168 I C -0.174 176.127 176.117 0.306 0.000 1.089 168 I CA -0.020 61.374 61.300 0.157 0.000 1.041 168 I CB 2.172 40.233 38.000 0.102 0.000 1.235 168 I HN 0.728 nan 8.210 nan 0.000 0.423 169 G N 4.567 113.530 108.800 0.272 0.000 2.356 169 G HA2 0.090 4.050 3.960 -0.000 0.000 0.300 169 G HA3 0.090 4.050 3.960 -0.000 0.000 0.300 169 G C -1.944 173.035 174.900 0.131 0.000 1.331 169 G CA -0.901 44.364 45.100 0.274 0.000 0.905 169 G HN 0.504 nan 8.290 nan 0.000 0.587 170 D N 0.451 120.900 120.400 0.082 0.000 2.363 170 D HA 0.373 5.013 4.640 -0.000 0.000 0.240 170 D C 1.319 177.609 176.300 -0.018 0.000 1.236 170 D CA 0.005 54.029 54.000 0.040 0.000 0.927 170 D CB 0.440 41.261 40.800 0.034 0.000 1.150 170 D HN 0.685 nan 8.370 nan 0.000 0.458 171 R N 0.728 121.222 120.500 -0.010 0.000 2.623 171 R HA 0.043 4.382 4.340 -0.000 0.000 0.271 171 R C -0.127 176.111 176.300 -0.103 0.000 1.043 171 R CA -0.250 55.829 56.100 -0.035 0.000 1.083 171 R CB 0.226 30.525 30.300 -0.002 0.000 0.974 171 R HN 0.267 nan 8.270 nan 0.000 0.436 172 Q N -0.244 119.471 119.800 -0.142 0.000 2.494 172 Q HA -0.160 4.180 4.340 -0.000 0.000 0.266 172 Q C 0.393 176.044 176.000 -0.583 0.000 1.053 172 Q CA 1.731 57.377 55.803 -0.262 0.000 1.029 172 Q CB -1.999 26.631 28.738 -0.180 0.000 1.423 172 Q HN 1.010 nan 8.270 nan 0.000 0.516 173 T N -4.208 110.069 114.554 -0.462 0.000 3.081 173 T HA 0.392 4.741 4.350 -0.000 0.000 0.250 173 T C 1.204 175.652 174.700 -0.420 0.000 1.100 173 T CA 0.791 62.545 62.100 -0.578 0.000 1.038 173 T CB 0.796 69.482 68.868 -0.304 0.000 0.962 173 T HN 0.892 nan 8.240 nan 0.000 0.516 174 G N 1.727 110.355 108.800 -0.286 0.000 2.167 174 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.194 174 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.194 174 G C 0.620 175.480 174.900 -0.066 0.000 1.027 174 G CA 0.171 45.199 45.100 -0.121 0.000 0.717 174 G HN 0.466 nan 8.290 nan 0.000 0.501 175 K N -0.664 119.700 120.400 -0.061 0.000 2.001 175 K HA -0.043 4.277 4.320 -0.000 0.000 0.208 175 K C 2.489 179.096 176.600 0.012 0.000 1.048 175 K CA 1.850 58.127 56.287 -0.017 0.000 0.932 175 K CB -0.176 32.320 32.500 -0.007 0.000 0.715 175 K HN 0.349 nan 8.250 nan 0.000 0.437 176 T N 0.866 115.436 114.554 0.028 0.000 2.985 176 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 176 T C 1.981 176.718 174.700 0.061 0.000 1.076 176 T CA 0.934 63.081 62.100 0.079 0.000 1.135 176 T CB -0.021 68.918 68.868 0.118 0.000 0.890 176 T HN 0.129 nan 8.240 nan 0.000 0.480 177 S N 1.919 117.628 115.700 0.015 0.000 2.387 177 S HA -0.076 4.394 4.470 -0.000 0.000 0.230 177 S C 1.976 176.562 174.600 -0.022 0.000 1.035 177 S CA 0.993 59.179 58.200 -0.024 0.000 1.014 177 S CB -0.501 62.657 63.200 -0.071 0.000 0.836 177 S HN 0.466 nan 8.310 nan 0.000 0.466 178 I N 1.818 122.386 120.570 -0.004 0.000 2.226 178 I HA -0.189 3.980 4.170 -0.000 0.000 0.245 178 I C 2.748 178.883 176.117 0.030 0.000 1.100 178 I CA 1.142 62.445 61.300 0.006 0.000 1.374 178 I CB -0.526 37.480 38.000 0.009 0.000 1.057 178 I HN 0.302 nan 8.210 nan 0.000 0.413 179 A N 0.570 123.423 122.820 0.056 0.000 2.019 179 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 179 A C 2.277 179.917 177.584 0.094 0.000 1.164 179 A CA 1.342 53.435 52.037 0.093 0.000 0.644 179 A CB -0.628 18.467 19.000 0.159 0.000 0.805 179 A HN 0.397 nan 8.150 nan 0.000 0.449 180 I N -0.727 119.881 120.570 0.062 0.000 2.277 180 I HA -0.146 4.024 4.170 -0.000 0.000 0.243 180 I C 1.777 177.931 176.117 0.061 0.000 1.094 180 I CA 1.240 62.564 61.300 0.039 0.000 1.393 180 I CB -0.280 37.748 38.000 0.046 0.000 1.078 180 I HN 0.174 nan 8.210 nan 0.000 0.417 181 D N 0.406 120.836 120.400 0.049 0.000 2.182 181 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 181 D C 2.116 178.454 176.300 0.063 0.000 0.986 181 D CA 1.373 55.404 54.000 0.052 0.000 0.847 181 D CB -0.180 40.625 40.800 0.008 0.000 0.942 181 D HN 0.236 nan 8.370 nan 0.000 0.467 182 T N 0.599 115.188 114.554 0.057 0.000 2.821 182 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 182 T C 1.829 176.582 174.700 0.087 0.000 1.046 182 T CA 0.419 62.556 62.100 0.061 0.000 1.139 182 T CB 0.038 68.931 68.868 0.041 0.000 0.871 182 T HN 0.091 nan 8.240 nan 0.000 0.454 183 I N 1.132 121.760 120.570 0.097 0.000 2.315 183 I HA -0.031 4.139 4.170 -0.000 0.000 0.248 183 I C 2.247 178.485 176.117 0.201 0.000 1.117 183 I CA 1.037 62.424 61.300 0.145 0.000 1.404 183 I CB -1.131 36.922 38.000 0.089 0.000 1.071 183 I HN 0.289 nan 8.210 nan 0.000 0.419 184 I N 0.721 121.373 120.570 0.137 0.000 2.546 184 I HA -0.239 3.931 4.170 -0.000 0.000 0.255 184 I C 2.031 178.233 176.117 0.140 0.000 1.163 184 I CA 0.885 62.267 61.300 0.138 0.000 1.457 184 I CB -0.423 37.638 38.000 0.101 0.000 1.092 184 I HN 0.226 nan 8.210 nan 0.000 0.434 185 N N 0.609 119.387 118.700 0.130 0.000 2.453 185 N HA -0.162 4.578 4.740 -0.000 0.000 0.183 185 N C 1.670 177.307 175.510 0.211 0.000 1.041 185 N CA 0.859 53.991 53.050 0.136 0.000 0.900 185 N CB 0.140 38.712 38.487 0.142 0.000 0.961 185 N HN 0.215 nan 8.380 nan 0.000 0.443 186 Q N -0.125 119.797 119.800 0.203 0.000 2.451 186 Q HA -0.005 4.334 4.340 -0.000 0.000 0.206 186 Q C 1.500 177.482 176.000 -0.031 0.000 0.947 186 Q CA 0.336 56.243 55.803 0.174 0.000 0.937 186 Q CB 0.026 28.733 28.738 -0.052 0.000 1.025 186 Q HN 0.468 nan 8.270 nan 0.000 0.511 187 K N 1.240 121.671 120.400 0.051 0.000 2.097 187 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 187 K C 1.874 178.410 176.600 -0.106 0.000 1.049 187 K CA 0.940 57.249 56.287 0.036 0.000 0.933 187 K CB 0.190 32.762 32.500 0.121 0.000 0.717 187 K HN 0.054 nan 8.250 nan 0.000 0.442 188 R N -0.308 120.055 120.500 -0.229 0.000 2.103 188 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 188 R C 2.241 178.298 176.300 -0.404 0.000 1.132 188 R CA 2.351 58.197 56.100 -0.423 0.000 0.925 188 R CB -0.596 29.233 30.300 -0.784 0.000 0.842 188 R HN 0.203 nan 8.270 nan 0.000 0.430 189 F N 0.775 120.634 119.950 -0.151 0.000 2.293 189 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 189 F C 1.916 177.586 175.800 -0.218 0.000 1.086 189 F CA 0.684 58.581 58.000 -0.171 0.000 1.375 189 F CB -0.300 38.586 39.000 -0.189 0.000 1.045 189 F HN 0.024 nan 8.300 nan 0.000 0.516 190 N N -0.458 118.158 118.700 -0.141 0.000 2.424 190 N HA -0.063 4.677 4.740 -0.000 0.000 0.178 190 N C 0.539 175.979 175.510 -0.116 0.000 1.060 190 N CA 0.719 53.619 53.050 -0.250 0.000 0.901 190 N CB -0.153 37.968 38.487 -0.610 0.000 0.979 190 N HN 0.241 nan 8.380 nan 0.000 0.451 191 D N -0.216 120.133 120.400 -0.084 0.000 2.368 191 D HA 0.180 4.820 4.640 -0.000 0.000 0.218 191 D C 0.885 177.158 176.300 -0.045 0.000 1.112 191 D CA 0.104 54.079 54.000 -0.042 0.000 0.834 191 D CB 0.534 41.316 40.800 -0.030 0.000 0.953 191 D HN 0.107 nan 8.370 nan 0.000 0.505 192 G N -0.862 107.907 108.800 -0.051 0.000 2.667 192 G HA2 0.326 4.286 3.960 -0.000 0.000 0.310 192 G HA3 0.326 4.286 3.960 -0.000 0.000 0.310 192 G C 0.976 175.868 174.900 -0.014 0.000 1.259 192 G CA -0.235 44.842 45.100 -0.039 0.000 1.019 192 G HN -0.098 nan 8.290 nan 0.000 0.496 193 T N 0.001 114.551 114.554 -0.008 0.000 2.777 193 T HA -0.046 4.303 4.350 -0.000 0.000 0.266 193 T C 0.979 175.689 174.700 0.016 0.000 1.040 193 T CA 0.856 62.959 62.100 0.006 0.000 1.141 193 T CB -0.217 68.653 68.868 0.004 0.000 0.868 193 T HN 0.472 nan 8.240 nan 0.000 0.444 194 D N 1.477 121.887 120.400 0.017 0.000 2.581 194 D HA -0.043 4.597 4.640 -0.000 0.000 0.238 194 D C 0.836 177.158 176.300 0.036 0.000 1.145 194 D CA 0.404 54.422 54.000 0.030 0.000 0.866 194 D CB 0.949 41.774 40.800 0.042 0.000 1.151 194 D HN 0.213 nan 8.370 nan 0.000 0.500 195 E N 2.581 122.810 120.200 0.048 0.000 2.340 195 E HA 0.057 4.407 4.350 -0.000 0.000 0.198 195 E C 0.929 177.589 176.600 0.101 0.000 0.961 195 E CA 0.578 57.022 56.400 0.072 0.000 0.905 195 E CB 0.317 30.066 29.700 0.081 0.000 0.884 195 E HN 0.295 nan 8.360 nan 0.000 0.491 196 K N -0.177 120.275 120.400 0.086 0.000 2.410 196 K HA 0.204 4.523 4.320 -0.000 0.000 0.200 196 K C 0.841 177.445 176.600 0.006 0.000 1.023 196 K CA 0.104 56.463 56.287 0.119 0.000 1.149 196 K CB 0.477 33.046 32.500 0.115 0.000 0.859 196 K HN -0.115 nan 8.250 nan 0.000 0.514 197 K N 0.378 120.767 120.400 -0.019 0.000 2.374 197 K HA 0.113 4.433 4.320 -0.000 0.000 0.202 197 K C -0.284 176.234 176.600 -0.137 0.000 1.040 197 K CA -0.066 56.153 56.287 -0.114 0.000 1.085 197 K CB 0.661 33.158 32.500 -0.005 0.000 0.873 197 K HN -0.081 nan 8.250 nan 0.000 0.539 198 K N 1.708 122.067 120.400 -0.067 0.000 2.447 198 K HA 0.047 4.367 4.320 -0.000 0.000 0.281 198 K C -0.365 176.091 176.600 -0.240 0.000 1.031 198 K CA -0.015 56.156 56.287 -0.193 0.000 1.019 198 K CB 0.617 32.993 32.500 -0.207 0.000 0.918 198 K HN -0.033 nan 8.250 nan 0.000 0.476 199 L N 4.771 125.764 121.223 -0.384 0.000 2.319 199 L HA 0.301 4.641 4.340 -0.000 0.000 0.281 199 L C -1.203 175.425 176.870 -0.403 0.000 1.005 199 L CA -0.594 54.074 54.840 -0.288 0.000 0.828 199 L CB 0.637 42.544 42.059 -0.253 0.000 1.227 199 L HN 0.394 nan 8.230 nan 0.000 0.415 200 Y N 2.845 123.013 120.300 -0.219 0.000 2.335 200 Y HA 0.523 5.072 4.550 -0.000 0.000 0.323 200 Y C 0.280 176.048 175.900 -0.220 0.000 1.224 200 Y CA -0.312 57.619 58.100 -0.280 0.000 1.241 200 Y CB 1.215 39.219 38.460 -0.759 0.000 1.235 200 Y HN 0.457 nan 8.280 nan 0.000 0.492 201 C N 4.160 123.508 119.300 0.080 0.000 2.507 201 C HA 0.639 5.098 4.460 -0.000 0.000 0.319 201 C C -0.740 174.266 174.990 0.027 0.000 1.208 201 C CA -0.953 58.102 59.018 0.060 0.000 1.619 201 C CB 0.427 28.258 27.740 0.151 0.000 2.230 201 C HN 0.469 nan 8.230 nan 0.000 0.492 202 I N 2.985 123.556 120.570 0.002 0.000 2.439 202 I HA 0.233 4.403 4.170 -0.000 0.000 0.283 202 I C -0.919 175.201 176.117 0.005 0.000 1.023 202 I CA -0.398 60.906 61.300 0.006 0.000 1.100 202 I CB 0.645 38.626 38.000 -0.032 0.000 1.238 202 I HN 0.725 nan 8.210 nan 0.000 0.445 203 Y N 6.663 126.926 120.300 -0.062 0.000 2.417 203 Y HA 0.518 5.068 4.550 -0.000 0.000 0.336 203 Y C -0.636 175.236 175.900 -0.046 0.000 0.961 203 Y CA -0.576 57.484 58.100 -0.067 0.000 1.215 203 Y CB 1.232 39.668 38.460 -0.041 0.000 1.120 203 Y HN 0.328 nan 8.280 nan 0.000 0.499 204 V N 6.578 126.263 119.914 -0.382 0.000 2.364 204 V HA 0.593 4.712 4.120 -0.000 0.000 0.272 204 V C 0.184 176.089 176.094 -0.315 0.000 1.036 204 V CA -0.627 61.544 62.300 -0.215 0.000 0.880 204 V CB 0.688 32.461 31.823 -0.083 0.000 0.991 204 V HN 0.907 nan 8.190 nan 0.000 0.460 205 A N 7.235 129.982 122.820 -0.121 0.000 2.289 205 A HA 0.781 5.101 4.320 -0.000 0.000 0.298 205 A C -0.438 177.154 177.584 0.013 0.000 1.208 205 A CA -0.403 51.611 52.037 -0.039 0.000 0.845 205 A CB 0.228 19.308 19.000 0.134 0.000 1.125 205 A HN 0.626 nan 8.150 nan 0.000 0.517 206 I N 1.895 122.476 120.570 0.018 0.000 2.404 206 I HA 0.392 4.562 4.170 -0.000 0.000 0.293 206 I C 1.269 177.426 176.117 0.067 0.000 0.992 206 I CA -0.041 61.291 61.300 0.053 0.000 1.149 206 I CB 0.455 38.490 38.000 0.059 0.000 1.315 206 I HN 1.008 nan 8.210 nan 0.000 0.446 207 G N 5.316 114.163 108.800 0.079 0.000 2.467 207 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.302 207 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.302 207 G C 0.381 175.323 174.900 0.071 0.000 0.930 207 G CA 0.431 45.578 45.100 0.078 0.000 1.008 207 G HN 0.723 nan 8.290 nan 0.000 0.512 208 Q N -1.144 118.699 119.800 0.070 0.000 2.166 208 Q HA 0.448 4.788 4.340 -0.000 0.000 0.226 208 Q C 0.578 176.616 176.000 0.063 0.000 0.989 208 Q CA -0.867 54.978 55.803 0.070 0.000 0.966 208 Q CB 1.071 29.860 28.738 0.085 0.000 1.173 208 Q HN 0.320 nan 8.270 nan 0.000 0.509 209 K N 0.722 121.157 120.400 0.058 0.000 2.368 209 K HA 0.045 4.364 4.320 -0.000 0.000 0.282 209 K C 0.861 177.491 176.600 0.049 0.000 1.035 209 K CA 0.132 56.448 56.287 0.049 0.000 0.973 209 K CB 0.608 33.134 32.500 0.044 0.000 0.957 209 K HN 0.448 nan 8.250 nan 0.000 0.474 210 R N 1.206 121.732 120.500 0.043 0.000 2.091 210 R HA -0.154 4.186 4.340 -0.000 0.000 0.238 210 R C 2.066 178.386 176.300 0.032 0.000 1.136 210 R CA 2.210 58.334 56.100 0.039 0.000 0.959 210 R CB -0.178 30.142 30.300 0.033 0.000 0.856 210 R HN 0.830 nan 8.270 nan 0.000 0.437 211 S N -0.140 115.577 115.700 0.028 0.000 2.370 211 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 211 S C 1.973 176.586 174.600 0.022 0.000 1.033 211 S CA 1.892 60.105 58.200 0.021 0.000 1.011 211 S CB -0.695 62.517 63.200 0.020 0.000 0.852 211 S HN 0.264 nan 8.310 nan 0.000 0.457 212 T N 2.541 117.114 114.554 0.032 0.000 2.708 212 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 212 T C 1.947 176.667 174.700 0.033 0.000 1.037 212 T CA 1.494 63.615 62.100 0.035 0.000 1.146 212 T CB -0.681 68.217 68.868 0.050 0.000 0.865 212 T HN 0.283 nan 8.240 nan 0.000 0.435 213 V N 1.669 121.612 119.914 0.049 0.000 2.490 213 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 213 V C 2.805 178.906 176.094 0.012 0.000 1.061 213 V CA 1.580 63.912 62.300 0.053 0.000 1.064 213 V CB -1.172 30.701 31.823 0.082 0.000 0.670 213 V HN 0.539 nan 8.190 nan 0.000 0.461 214 A N -0.748 122.077 122.820 0.009 0.000 1.929 214 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 214 A C 2.202 179.773 177.584 -0.023 0.000 1.176 214 A CA 1.095 53.128 52.037 -0.006 0.000 0.628 214 A CB -0.335 18.665 19.000 0.000 0.000 0.816 214 A HN 0.508 nan 8.150 nan 0.000 0.444 215 Q N -0.433 119.357 119.800 -0.018 0.000 2.096 215 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 215 Q C 2.145 178.113 176.000 -0.053 0.000 0.982 215 Q CA 1.617 57.403 55.803 -0.029 0.000 0.850 215 Q CB -0.770 27.962 28.738 -0.012 0.000 0.901 215 Q HN 0.693 nan 8.270 nan 0.000 0.422 216 L N 0.810 121.995 121.223 -0.064 0.000 2.017 216 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 216 L C 2.295 179.076 176.870 -0.149 0.000 1.073 216 L CA 1.650 56.414 54.840 -0.127 0.000 0.745 216 L CB -0.501 41.446 42.059 -0.186 0.000 0.894 216 L HN 0.128 nan 8.230 nan 0.000 0.432 217 V N -2.996 116.850 119.914 -0.114 0.000 2.667 217 V HA -0.130 3.990 4.120 -0.000 0.000 0.252 217 V C 2.603 178.643 176.094 -0.091 0.000 1.065 217 V CA 1.582 63.819 62.300 -0.104 0.000 1.083 217 V CB -1.038 30.746 31.823 -0.065 0.000 0.692 217 V HN 0.450 nan 8.190 nan 0.000 0.468 218 K N 1.234 121.587 120.400 -0.078 0.000 2.001 218 K HA -0.190 4.129 4.320 -0.000 0.000 0.208 218 K C 2.426 178.970 176.600 -0.093 0.000 1.048 218 K CA 2.020 58.263 56.287 -0.074 0.000 0.932 218 K CB -0.349 32.115 32.500 -0.061 0.000 0.715 218 K HN 0.495 nan 8.250 nan 0.000 0.437 219 R N 1.230 121.666 120.500 -0.107 0.000 2.119 219 R HA -0.111 4.229 4.340 -0.000 0.000 0.246 219 R C 2.279 178.505 176.300 -0.123 0.000 1.146 219 R CA 1.575 57.596 56.100 -0.131 0.000 0.962 219 R CB -0.673 29.554 30.300 -0.122 0.000 0.863 219 R HN 0.233 nan 8.270 nan 0.000 0.442 220 L N -0.859 120.289 121.223 -0.125 0.000 2.109 220 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 220 L C 2.071 178.864 176.870 -0.129 0.000 1.086 220 L CA 1.664 56.424 54.840 -0.134 0.000 0.760 220 L CB -0.444 41.515 42.059 -0.166 0.000 0.910 220 L HN 0.266 nan 8.230 nan 0.000 0.437 221 T N -1.469 113.019 114.554 -0.110 0.000 2.985 221 T HA -0.105 4.244 4.350 -0.000 0.000 0.266 221 T C 1.300 175.953 174.700 -0.078 0.000 1.076 221 T CA 0.948 62.992 62.100 -0.092 0.000 1.135 221 T CB -0.146 68.678 68.868 -0.074 0.000 0.890 221 T HN 0.239 nan 8.240 nan 0.000 0.480 222 D N 1.764 122.114 120.400 -0.084 0.000 2.149 222 D HA 0.072 4.712 4.640 -0.000 0.000 0.201 222 D C 2.076 178.333 176.300 -0.072 0.000 0.972 222 D CA 0.903 54.856 54.000 -0.078 0.000 0.835 222 D CB -0.279 40.463 40.800 -0.097 0.000 0.966 222 D HN 0.425 nan 8.370 nan 0.000 0.476 223 A N 0.226 122.999 122.820 -0.077 0.000 2.251 223 A HA 0.032 4.351 4.320 -0.000 0.000 0.209 223 A C 0.391 177.949 177.584 -0.044 0.000 1.187 223 A CA 0.417 52.422 52.037 -0.053 0.000 0.823 223 A CB -0.060 18.914 19.000 -0.043 0.000 0.846 223 A HN 0.067 nan 8.150 nan 0.000 0.486 224 D N -2.262 118.099 120.400 -0.065 0.000 2.689 224 D HA -0.203 4.437 4.640 -0.000 0.000 0.237 224 D C 0.651 176.889 176.300 -0.103 0.000 1.148 224 D CA 0.990 54.950 54.000 -0.067 0.000 0.656 224 D CB -1.191 39.594 40.800 -0.025 0.000 1.050 224 D HN 0.510 nan 8.370 nan 0.000 0.426 225 A N -0.098 122.590 122.820 -0.221 0.000 2.324 225 A HA 0.180 4.500 4.320 -0.000 0.000 0.220 225 A C 1.832 178.936 177.584 -0.799 0.000 1.209 225 A CA 0.784 52.490 52.037 -0.551 0.000 0.918 225 A CB -0.022 18.812 19.000 -0.278 0.000 0.959 225 A HN 0.308 nan 8.150 nan 0.000 0.507 226 M N 1.711 121.075 119.600 -0.393 0.000 2.202 226 M HA -0.188 4.292 4.480 -0.000 0.000 0.262 226 M C 1.991 178.135 176.300 -0.259 0.000 1.063 226 M CA 2.150 57.281 55.300 -0.281 0.000 1.097 226 M CB -0.550 31.954 32.600 -0.159 0.000 1.382 226 M HN 0.506 nan 8.290 nan 0.000 0.413 227 K N -0.230 120.023 120.400 -0.245 0.000 2.113 227 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 227 K C 0.768 177.377 176.600 0.015 0.000 1.047 227 K CA 1.991 58.230 56.287 -0.079 0.000 0.928 227 K CB -1.231 31.273 32.500 0.005 0.000 0.716 227 K HN 0.626 nan 8.250 nan 0.000 0.446 228 Y N 0.992 121.324 120.300 0.054 0.000 2.811 228 Y HA 0.467 5.017 4.550 -0.000 0.000 0.330 228 Y C -0.808 175.132 175.900 0.067 0.000 1.081 228 Y CA -0.972 57.181 58.100 0.087 0.000 1.408 228 Y CB -0.095 38.366 38.460 0.001 0.000 1.235 228 Y HN -0.197 nan 8.280 nan 0.000 0.529 229 T N 2.441 116.996 114.554 0.002 0.000 3.031 229 T HA 0.445 4.795 4.350 -0.000 0.000 0.305 229 T C -0.439 174.280 174.700 0.031 0.000 0.985 229 T CA -0.466 61.634 62.100 0.000 0.000 1.008 229 T CB 1.053 69.850 68.868 -0.119 0.000 1.005 229 T HN 0.242 nan 8.240 nan 0.000 0.444 230 I N 2.733 123.344 120.570 0.070 0.000 2.395 230 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 230 I C -0.107 176.054 176.117 0.074 0.000 1.023 230 I CA -0.747 60.595 61.300 0.071 0.000 1.350 230 I CB 1.132 39.187 38.000 0.092 0.000 1.409 230 I HN 0.281 nan 8.210 nan 0.000 0.507 231 V N 7.688 127.643 119.914 0.067 0.000 2.275 231 V HA 0.190 4.310 4.120 -0.000 0.000 0.272 231 V C 0.117 176.260 176.094 0.081 0.000 1.028 231 V CA -0.641 61.719 62.300 0.100 0.000 0.810 231 V CB 1.182 33.055 31.823 0.084 0.000 1.043 231 V HN 0.408 nan 8.190 nan 0.000 0.453 232 V N 3.746 123.704 119.914 0.074 0.000 2.488 232 V HA 0.376 4.496 4.120 -0.000 0.000 0.277 232 V C 0.575 176.703 176.094 0.057 0.000 1.046 232 V CA 0.233 62.563 62.300 0.049 0.000 0.986 232 V CB 1.500 33.343 31.823 0.034 0.000 0.989 232 V HN 0.794 nan 8.190 nan 0.000 0.475 233 S N 4.090 119.821 115.700 0.051 0.000 2.659 233 S HA 0.734 5.204 4.470 -0.000 0.000 0.312 233 S C -0.188 174.443 174.600 0.051 0.000 1.114 233 S CA -0.140 58.095 58.200 0.059 0.000 1.063 233 S CB 1.084 64.322 63.200 0.062 0.000 0.996 233 S HN 1.054 nan 8.310 nan 0.000 0.478 234 A N 4.372 127.228 122.820 0.059 0.000 2.978 234 A HA 0.566 4.886 4.320 -0.000 0.000 0.341 234 A C 0.460 178.088 177.584 0.073 0.000 1.105 234 A CA -0.657 51.420 52.037 0.067 0.000 0.819 234 A CB -0.242 18.805 19.000 0.079 0.000 1.080 234 A HN 0.826 nan 8.150 nan 0.000 0.476 235 T N -1.476 113.119 114.554 0.067 0.000 2.788 235 T HA 0.487 4.837 4.350 -0.000 0.000 0.287 235 T C 1.603 176.343 174.700 0.066 0.000 1.007 235 T CA 0.035 62.175 62.100 0.066 0.000 1.005 235 T CB 1.066 69.969 68.868 0.059 0.000 1.012 235 T HN 1.026 nan 8.240 nan 0.000 0.530 236 A N 1.004 123.861 122.820 0.063 0.000 2.032 236 A HA -0.122 4.198 4.320 -0.000 0.000 0.221 236 A C 2.474 180.091 177.584 0.055 0.000 1.165 236 A CA 2.102 54.175 52.037 0.060 0.000 0.645 236 A CB -1.487 17.546 19.000 0.054 0.000 0.807 236 A HN 1.033 nan 8.150 nan 0.000 0.453 237 S N -0.307 115.423 115.700 0.050 0.000 2.461 237 S HA -0.006 4.463 4.470 -0.000 0.000 0.228 237 S C 0.287 174.916 174.600 0.048 0.000 1.005 237 S CA 0.158 58.385 58.200 0.044 0.000 0.942 237 S CB -0.251 62.971 63.200 0.037 0.000 0.776 237 S HN 0.516 nan 8.310 nan 0.000 0.514 238 D N 2.533 122.968 120.400 0.059 0.000 2.341 238 D HA 0.523 5.163 4.640 -0.000 0.000 0.245 238 D C 0.204 176.553 176.300 0.082 0.000 1.106 238 D CA 0.103 54.145 54.000 0.071 0.000 0.905 238 D CB 1.158 42.006 40.800 0.080 0.000 1.202 238 D HN 0.365 nan 8.370 nan 0.000 0.426 239 A N 1.448 124.321 122.820 0.088 0.000 2.498 239 A HA 0.336 4.655 4.320 -0.000 0.000 0.239 239 A C 1.417 179.072 177.584 0.119 0.000 1.068 239 A CA 0.373 52.461 52.037 0.086 0.000 0.766 239 A CB 0.329 19.374 19.000 0.075 0.000 1.003 239 A HN 0.638 nan 8.150 nan 0.000 0.497 240 A N 3.839 126.717 122.820 0.097 0.000 1.903 240 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 240 A C -0.086 177.610 177.584 0.187 0.000 1.191 240 A CA 2.203 54.314 52.037 0.124 0.000 0.638 240 A CB -1.766 17.283 19.000 0.081 0.000 0.823 240 A HN 0.645 nan 8.150 nan 0.000 0.451 241 P HA -0.166 nan 4.420 nan 0.000 0.217 241 P C 1.374 178.976 177.300 0.502 0.000 1.148 241 P CA 1.040 64.269 63.100 0.216 0.000 0.834 241 P CB -0.130 31.544 31.700 -0.043 0.000 0.783 242 L N -1.207 120.287 121.223 0.452 0.000 2.044 242 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 242 L C 2.634 179.651 176.870 0.245 0.000 1.075 242 L CA 1.455 56.522 54.840 0.379 0.000 0.747 242 L CB -1.000 41.208 42.059 0.248 0.000 0.903 242 L HN -0.039 nan 8.230 nan 0.000 0.435 243 Q N -0.901 119.034 119.800 0.224 0.000 2.135 243 Q HA -0.281 4.059 4.340 -0.000 0.000 0.204 243 Q C 2.092 178.229 176.000 0.228 0.000 0.981 243 Q CA 2.070 57.986 55.803 0.188 0.000 0.856 243 Q CB -0.433 28.407 28.738 0.170 0.000 0.902 243 Q HN 0.557 nan 8.270 nan 0.000 0.425 244 Y N 0.805 121.209 120.300 0.174 0.000 2.207 244 Y HA -0.262 4.288 4.550 -0.000 0.000 0.287 244 Y C 1.911 177.930 175.900 0.198 0.000 1.156 244 Y CA 1.217 59.425 58.100 0.180 0.000 1.182 244 Y CB 0.022 38.592 38.460 0.183 0.000 0.979 244 Y HN 0.109 nan 8.280 nan 0.000 0.521 245 L N 0.173 121.377 121.223 -0.032 0.000 2.375 245 L HA 0.204 4.543 4.340 -0.000 0.000 0.215 245 L C 2.455 179.342 176.870 0.028 0.000 1.108 245 L CA 1.341 56.092 54.840 -0.147 0.000 0.830 245 L CB -0.719 41.337 42.059 -0.006 0.000 0.959 245 L HN 0.278 nan 8.230 nan 0.000 0.457 246 A N 0.612 123.465 122.820 0.056 0.000 1.908 246 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 246 A C -0.157 177.470 177.584 0.072 0.000 1.181 246 A CA 1.901 53.971 52.037 0.055 0.000 0.627 246 A CB -1.886 17.149 19.000 0.059 0.000 0.818 246 A HN 0.387 nan 8.150 nan 0.000 0.445 247 P HA -0.138 nan 4.420 nan 0.000 0.216 247 P C 0.903 178.168 177.300 -0.057 0.000 1.153 247 P CA 1.167 64.265 63.100 -0.004 0.000 0.848 247 P CB -0.215 31.263 31.700 -0.371 0.000 0.787 248 Y N -0.316 119.910 120.300 -0.124 0.000 2.145 248 Y HA -0.155 4.394 4.550 -0.000 0.000 0.286 248 Y C 2.685 178.558 175.900 -0.044 0.000 1.145 248 Y CA 1.447 59.478 58.100 -0.116 0.000 1.148 248 Y CB -1.285 37.053 38.460 -0.204 0.000 0.981 248 Y HN -0.094 nan 8.280 nan 0.000 0.507 249 S N -0.114 115.657 115.700 0.117 0.000 2.359 249 S HA -0.210 4.260 4.470 -0.000 0.000 0.224 249 S C 2.377 177.013 174.600 0.060 0.000 1.035 249 S CA 1.357 59.590 58.200 0.055 0.000 1.018 249 S CB -1.085 62.122 63.200 0.011 0.000 0.876 249 S HN 0.676 nan 8.310 nan 0.000 0.448 250 G N -0.365 108.477 108.800 0.071 0.000 2.432 250 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 250 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 250 G C 1.584 176.536 174.900 0.086 0.000 1.135 250 G CA 0.968 46.109 45.100 0.068 0.000 0.767 250 G HN 0.588 nan 8.290 nan 0.000 0.550 251 C N 0.686 120.053 119.300 0.111 0.000 2.456 251 C HA 0.156 4.616 4.460 -0.000 0.000 0.279 251 C C 3.169 178.215 174.990 0.093 0.000 1.427 251 C CA 1.234 60.317 59.018 0.108 0.000 1.778 251 C CB -0.886 26.908 27.740 0.091 0.000 1.842 251 C HN 0.361 nan 8.230 nan 0.000 0.531 252 S N 0.541 116.294 115.700 0.087 0.000 2.395 252 S HA -0.016 4.454 4.470 -0.000 0.000 0.225 252 S C 1.699 176.361 174.600 0.104 0.000 1.027 252 S CA 1.312 59.561 58.200 0.082 0.000 0.965 252 S CB -0.297 62.938 63.200 0.058 0.000 0.812 252 S HN 0.619 nan 8.310 nan 0.000 0.482 253 M N 1.319 120.981 119.600 0.104 0.000 2.229 253 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 253 M C 2.407 178.888 176.300 0.303 0.000 1.063 253 M CA 1.407 56.791 55.300 0.140 0.000 1.114 253 M CB -0.704 31.966 32.600 0.116 0.000 1.387 253 M HN 0.460 nan 8.290 nan 0.000 0.420 254 G N -0.122 108.827 108.800 0.248 0.000 2.403 254 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.216 254 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.216 254 G C 1.340 176.414 174.900 0.290 0.000 1.154 254 G CA 0.456 45.730 45.100 0.290 0.000 0.784 254 G HN 0.454 nan 8.290 nan 0.000 0.538 255 E N -0.638 119.672 120.200 0.184 0.000 2.160 255 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 255 E C 1.931 178.595 176.600 0.105 0.000 0.991 255 E CA 0.790 57.263 56.400 0.122 0.000 0.810 255 E CB -0.239 29.513 29.700 0.086 0.000 0.742 255 E HN 0.609 nan 8.360 nan 0.000 0.466 256 Y N 0.348 120.633 120.300 -0.024 0.000 2.128 256 Y HA -0.300 4.250 4.550 -0.000 0.000 0.284 256 Y C 1.727 177.484 175.900 -0.237 0.000 1.154 256 Y CA 1.802 59.795 58.100 -0.178 0.000 1.149 256 Y CB -0.343 37.921 38.460 -0.326 0.000 0.976 256 Y HN -0.037 nan 8.280 nan 0.000 0.505 257 F N 0.040 119.987 119.950 -0.005 0.000 2.113 257 F HA -0.128 4.399 4.527 -0.000 0.000 0.297 257 F C 2.778 178.483 175.800 -0.158 0.000 1.103 257 F CA 1.798 59.718 58.000 -0.134 0.000 1.248 257 F CB -0.785 38.187 39.000 -0.047 0.000 0.999 257 F HN -0.091 nan 8.300 nan 0.000 0.475 258 R N 0.666 121.231 120.500 0.109 0.000 2.096 258 R HA -0.198 4.142 4.340 -0.000 0.000 0.240 258 R C 1.655 177.927 176.300 -0.047 0.000 1.139 258 R CA 2.297 58.407 56.100 0.016 0.000 0.952 258 R CB -0.470 29.857 30.300 0.044 0.000 0.854 258 R HN 0.217 nan 8.270 nan 0.000 0.436 259 D N 0.064 120.424 120.400 -0.066 0.000 2.162 259 D HA -0.057 4.583 4.640 -0.000 0.000 0.203 259 D C 0.214 176.434 176.300 -0.134 0.000 0.967 259 D CA 0.835 54.794 54.000 -0.069 0.000 0.840 259 D CB -0.205 40.564 40.800 -0.052 0.000 0.972 259 D HN 0.180 nan 8.370 nan 0.000 0.482 260 N N 0.406 118.949 118.700 -0.262 0.000 3.250 260 N HA 0.287 5.027 4.740 -0.000 0.000 0.307 260 N C 0.572 175.950 175.510 -0.220 0.000 1.355 260 N CA 0.057 52.924 53.050 -0.305 0.000 1.192 260 N CB 0.377 38.524 38.487 -0.568 0.000 1.478 260 N HN 0.057 nan 8.380 nan 0.000 0.543 261 G N 0.377 109.088 108.800 -0.149 0.000 2.341 261 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.292 261 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.292 261 G C 0.040 174.866 174.900 -0.123 0.000 1.021 261 G CA 0.560 45.588 45.100 -0.120 0.000 0.905 261 G HN 0.429 nan 8.290 nan 0.000 0.508 262 K N -1.405 118.898 120.400 -0.161 0.000 2.466 262 K HA 0.635 4.955 4.320 -0.000 0.000 0.260 262 K C -0.885 175.577 176.600 -0.230 0.000 1.011 262 K CA -1.047 55.215 56.287 -0.042 0.000 0.871 262 K CB 1.364 34.006 32.500 0.237 0.000 1.404 262 K HN 0.317 nan 8.250 nan 0.000 0.450 263 H N -0.136 119.050 119.070 0.193 0.000 2.539 263 H HA 0.563 5.119 4.556 -0.000 0.000 0.332 263 H C -1.028 174.343 175.328 0.071 0.000 1.031 263 H CA -0.626 55.477 56.048 0.091 0.000 1.206 263 H CB 1.825 31.592 29.762 0.007 0.000 1.446 263 H HN 0.620 nan 8.280 nan 0.000 0.496 264 A N 2.761 125.645 122.820 0.107 0.000 2.384 264 A HA 0.705 5.025 4.320 -0.000 0.000 0.312 264 A C -1.392 176.182 177.584 -0.016 0.000 1.113 264 A CA -0.758 51.269 52.037 -0.016 0.000 0.779 264 A CB 1.256 20.209 19.000 -0.079 0.000 1.307 264 A HN 0.563 nan 8.150 nan 0.000 0.436 265 L N 1.665 122.856 121.223 -0.052 0.000 2.406 265 L HA 0.700 5.040 4.340 -0.000 0.000 0.270 265 L C -1.201 175.610 176.870 -0.097 0.000 0.982 265 L CA -0.241 54.563 54.840 -0.060 0.000 0.843 265 L CB 1.152 43.184 42.059 -0.045 0.000 1.225 265 L HN 0.687 nan 8.230 nan 0.000 0.412 266 I N 5.560 126.029 120.570 -0.169 0.000 2.377 266 I HA 0.553 4.723 4.170 -0.000 0.000 0.293 266 I C -0.989 174.820 176.117 -0.513 0.000 0.987 266 I CA -0.531 60.573 61.300 -0.326 0.000 1.185 266 I CB 1.101 38.869 38.000 -0.387 0.000 1.341 266 I HN 0.643 nan 8.210 nan 0.000 0.455 267 I N 7.684 127.953 120.570 -0.501 0.000 2.378 267 I HA 0.246 4.415 4.170 -0.000 0.000 0.291 267 I C -1.302 174.424 176.117 -0.651 0.000 0.992 267 I CA -0.542 60.464 61.300 -0.489 0.000 1.154 267 I CB 1.245 39.094 38.000 -0.252 0.000 1.315 267 I HN 0.419 nan 8.210 nan 0.000 0.448 268 Y N 3.509 123.680 120.300 -0.216 0.000 2.593 268 Y HA 0.364 4.913 4.550 -0.000 0.000 0.331 268 Y C -0.298 175.472 175.900 -0.217 0.000 0.986 268 Y CA -1.052 56.914 58.100 -0.223 0.000 1.262 268 Y CB 0.381 38.730 38.460 -0.185 0.000 1.098 268 Y HN 0.438 nan 8.280 nan 0.000 0.506 269 D N 3.104 123.394 120.400 -0.184 0.000 2.472 269 D HA 0.243 4.883 4.640 -0.000 0.000 0.234 269 D C -1.148 175.119 176.300 -0.055 0.000 1.088 269 D CA -0.417 53.502 54.000 -0.136 0.000 0.882 269 D CB 0.383 41.053 40.800 -0.217 0.000 1.037 269 D HN 0.648 nan 8.370 nan 0.000 0.520 270 D N 0.736 121.136 120.400 -0.001 0.000 2.493 270 D HA 0.266 4.906 4.640 -0.000 0.000 0.239 270 D C 0.867 177.173 176.300 0.009 0.000 1.049 270 D CA -0.800 53.200 54.000 -0.001 0.000 1.008 270 D CB 1.266 42.070 40.800 0.006 0.000 1.398 270 D HN 0.148 nan 8.370 nan 0.000 0.513 271 L N 0.077 121.277 121.223 -0.039 0.000 2.240 271 L HA -0.042 4.297 4.340 -0.000 0.000 0.211 271 L C 1.994 178.892 176.870 0.046 0.000 1.106 271 L CA 0.591 55.393 54.840 -0.063 0.000 0.793 271 L CB -0.275 41.542 42.059 -0.404 0.000 0.927 271 L HN 0.471 nan 8.230 nan 0.000 0.446 272 S N -0.115 115.593 115.700 0.013 0.000 2.382 272 S HA -0.153 4.317 4.470 -0.000 0.000 0.228 272 S C 1.917 176.591 174.600 0.122 0.000 1.027 272 S CA 1.207 59.445 58.200 0.064 0.000 0.991 272 S CB -0.003 63.225 63.200 0.046 0.000 0.823 272 S HN 0.356 nan 8.310 nan 0.000 0.469 273 K N 0.798 121.262 120.400 0.106 0.000 2.217 273 K HA -0.020 4.299 4.320 -0.000 0.000 0.202 273 K C 2.328 179.019 176.600 0.152 0.000 1.051 273 K CA 0.607 56.968 56.287 0.123 0.000 0.952 273 K CB -0.084 32.473 32.500 0.095 0.000 0.736 273 K HN 0.340 nan 8.250 nan 0.000 0.453 274 Q N 0.646 120.540 119.800 0.157 0.000 2.119 274 Q HA -0.114 4.226 4.340 -0.000 0.000 0.201 274 Q C 1.995 178.143 176.000 0.247 0.000 0.972 274 Q CA 1.221 57.139 55.803 0.192 0.000 0.847 274 Q CB 0.016 28.849 28.738 0.158 0.000 0.903 274 Q HN 0.295 nan 8.270 nan 0.000 0.433 275 A N 0.224 123.183 122.820 0.233 0.000 1.865 275 A HA -0.160 4.159 4.320 -0.000 0.000 0.217 275 A C 2.218 180.029 177.584 0.378 0.000 1.191 275 A CA 1.792 53.981 52.037 0.253 0.000 0.623 275 A CB -0.901 18.149 19.000 0.083 0.000 0.826 275 A HN 0.286 nan 8.150 nan 0.000 0.444 276 V N -0.031 120.087 119.914 0.341 0.000 2.392 276 V HA -0.278 3.842 4.120 -0.000 0.000 0.249 276 V C 2.959 179.169 176.094 0.194 0.000 1.059 276 V CA 2.041 64.506 62.300 0.274 0.000 1.051 276 V CB -1.548 30.393 31.823 0.197 0.000 0.658 276 V HN 0.622 nan 8.190 nan 0.000 0.455 277 A N -0.685 122.260 122.820 0.209 0.000 1.873 277 A HA -0.228 4.092 4.320 -0.000 0.000 0.215 277 A C 2.206 179.915 177.584 0.208 0.000 1.186 277 A CA 1.897 54.050 52.037 0.193 0.000 0.616 277 A CB -0.764 18.369 19.000 0.223 0.000 0.823 277 A HN 0.596 nan 8.150 nan 0.000 0.442 278 Y N 0.556 120.936 120.300 0.134 0.000 2.224 278 Y HA -0.174 4.376 4.550 -0.000 0.000 0.289 278 Y C 2.457 178.376 175.900 0.032 0.000 1.146 278 Y CA 1.912 60.047 58.100 0.057 0.000 1.182 278 Y CB -0.470 38.060 38.460 0.115 0.000 0.983 278 Y HN 0.335 nan 8.280 nan 0.000 0.524 279 R N 0.233 120.741 120.500 0.013 0.000 2.091 279 R HA -0.247 4.093 4.340 -0.000 0.000 0.238 279 R C 2.470 178.694 176.300 -0.126 0.000 1.136 279 R CA 1.944 57.996 56.100 -0.080 0.000 0.959 279 R CB -0.413 29.922 30.300 0.059 0.000 0.856 279 R HN 0.559 nan 8.270 nan 0.000 0.437 280 Q N 0.242 120.010 119.800 -0.053 0.000 2.002 280 Q HA -0.264 4.075 4.340 -0.000 0.000 0.204 280 Q C 2.189 178.127 176.000 -0.103 0.000 0.988 280 Q CA 2.279 58.048 55.803 -0.056 0.000 0.843 280 Q CB -0.147 28.588 28.738 -0.005 0.000 0.908 280 Q HN 0.438 nan 8.270 nan 0.000 0.420 281 M N -0.451 119.072 119.600 -0.127 0.000 2.086 281 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 281 M C 2.344 178.513 176.300 -0.218 0.000 1.067 281 M CA 1.904 57.104 55.300 -0.167 0.000 1.116 281 M CB -0.151 32.330 32.600 -0.199 0.000 1.348 281 M HN 0.240 nan 8.290 nan 0.000 0.407 282 S N 0.303 115.800 115.700 -0.338 0.000 2.368 282 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 282 S C 1.757 176.240 174.600 -0.196 0.000 1.029 282 S CA 1.091 59.096 58.200 -0.326 0.000 0.988 282 S CB -0.343 62.534 63.200 -0.538 0.000 0.838 282 S HN 0.551 nan 8.310 nan 0.000 0.462 283 L N 0.824 121.943 121.223 -0.174 0.000 2.141 283 L HA 0.008 4.348 4.340 -0.000 0.000 0.209 283 L C 2.215 179.030 176.870 -0.091 0.000 1.094 283 L CA 0.854 55.624 54.840 -0.115 0.000 0.763 283 L CB -0.366 41.631 42.059 -0.104 0.000 0.908 283 L HN 0.334 nan 8.230 nan 0.000 0.437 284 L N -0.644 120.522 121.223 -0.095 0.000 2.291 284 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 284 L C 1.823 178.651 176.870 -0.071 0.000 1.120 284 L CA 0.623 55.418 54.840 -0.074 0.000 0.799 284 L CB -0.087 41.929 42.059 -0.071 0.000 0.925 284 L HN 0.283 nan 8.230 nan 0.000 0.446 285 L N -0.243 120.928 121.223 -0.087 0.000 2.645 285 L HA 0.116 4.455 4.340 -0.000 0.000 0.234 285 L C 0.639 177.475 176.870 -0.058 0.000 1.165 285 L CA -0.153 54.644 54.840 -0.073 0.000 0.944 285 L CB -0.076 41.930 42.059 -0.088 0.000 1.149 285 L HN 0.241 nan 8.230 nan 0.000 0.446 286 R N -0.496 119.970 120.500 -0.057 0.000 4.000 286 R HA -0.179 4.160 4.340 -0.000 0.000 0.362 286 R C 0.073 176.346 176.300 -0.044 0.000 1.183 286 R CA 0.715 56.788 56.100 -0.045 0.000 1.011 286 R CB -1.913 28.368 30.300 -0.032 0.000 1.501 286 R HN 0.408 nan 8.270 nan 0.000 0.553 287 R N 1.635 122.101 120.500 -0.057 0.000 2.267 287 R HA 0.226 4.566 4.340 -0.000 0.000 0.319 287 R C -2.028 174.242 176.300 -0.050 0.000 1.067 287 R CA -1.621 54.449 56.100 -0.050 0.000 0.936 287 R CB 0.475 30.740 30.300 -0.059 0.000 1.006 287 R HN -0.138 nan 8.270 nan 0.000 0.452 288 P HA -0.055 nan 4.420 nan 0.000 0.263 288 P C -2.271 175.014 177.300 -0.026 0.000 1.175 288 P CA -0.511 62.574 63.100 -0.027 0.000 0.761 288 P CB 0.091 31.783 31.700 -0.014 0.000 0.794 289 P HA 0.282 nan 4.420 nan 0.000 0.281 289 P C 0.098 177.398 177.300 -0.000 0.000 1.249 289 P CA -0.166 62.921 63.100 -0.021 0.000 0.810 289 P CB 1.425 33.098 31.700 -0.044 0.000 1.008 290 G N 1.137 109.955 108.800 0.030 0.000 3.310 290 G HA2 0.298 4.258 3.960 -0.000 0.000 0.176 290 G HA3 0.298 4.258 3.960 -0.000 0.000 0.176 290 G C -0.457 174.446 174.900 0.004 0.000 1.307 290 G CA -0.700 44.418 45.100 0.030 0.000 0.935 290 G HN 0.549 nan 8.290 nan 0.000 0.628 291 R N 0.740 121.224 120.500 -0.026 0.000 2.522 291 R HA 0.156 4.495 4.340 -0.000 0.000 0.284 291 R C 0.018 176.309 176.300 -0.014 0.000 1.032 291 R CA 0.680 56.692 56.100 -0.146 0.000 1.049 291 R CB -0.180 29.819 30.300 -0.501 0.000 0.956 291 R HN 0.673 nan 8.270 nan 0.000 0.422 292 E N 2.769 122.949 120.200 -0.034 0.000 2.539 292 E HA -0.348 4.001 4.350 -0.000 0.000 0.253 292 E C 0.406 176.918 176.600 -0.146 0.000 1.145 292 E CA 0.429 56.833 56.400 0.007 0.000 0.738 292 E CB -1.292 28.538 29.700 0.218 0.000 1.308 292 E HN 0.893 nan 8.360 nan 0.000 0.409 293 A N -2.225 120.531 122.820 -0.106 0.000 3.721 293 A HA -0.325 3.995 4.320 -0.000 0.000 0.270 293 A C 0.212 177.711 177.584 -0.143 0.000 1.036 293 A CA 1.948 53.897 52.037 -0.147 0.000 1.102 293 A CB -1.877 17.006 19.000 -0.195 0.000 1.100 293 A HN 0.436 nan 8.150 nan 0.000 0.887 294 Y N 0.155 120.491 120.300 0.059 0.000 2.411 294 Y HA 0.422 4.972 4.550 -0.000 0.000 0.333 294 Y C -1.507 174.432 175.900 0.066 0.000 1.186 294 Y CA -1.372 56.779 58.100 0.086 0.000 1.381 294 Y CB -0.108 38.475 38.460 0.205 0.000 1.273 294 Y HN 0.151 nan 8.280 nan 0.000 0.546 295 P HA -0.036 nan 4.420 nan 0.000 0.269 295 P C 0.787 178.219 177.300 0.220 0.000 1.211 295 P CA 0.557 63.723 63.100 0.109 0.000 0.781 295 P CB 0.675 32.352 31.700 -0.038 0.000 0.877 296 G N 1.427 110.329 108.800 0.170 0.000 2.509 296 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.218 296 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.218 296 G C 0.540 175.580 174.900 0.233 0.000 1.124 296 G CA 0.427 45.634 45.100 0.179 0.000 0.776 296 G HN 0.661 nan 8.290 nan 0.000 0.547 297 D N 0.199 120.769 120.400 0.284 0.000 2.525 297 D HA 0.082 4.721 4.640 -0.000 0.000 0.229 297 D C 1.569 178.068 176.300 0.332 0.000 1.202 297 D CA -0.408 53.792 54.000 0.335 0.000 0.828 297 D CB 0.400 41.418 40.800 0.363 0.000 1.008 297 D HN 0.072 nan 8.370 nan 0.000 0.493 298 V N 0.231 120.334 119.914 0.316 0.000 2.867 298 V HA -0.170 3.950 4.120 -0.000 0.000 0.260 298 V C 1.658 177.781 176.094 0.048 0.000 1.099 298 V CA 1.204 63.617 62.300 0.188 0.000 1.122 298 V CB -0.872 31.068 31.823 0.195 0.000 0.708 298 V HN 0.302 nan 8.190 nan 0.000 0.490 299 F N -0.045 119.928 119.950 0.039 0.000 2.128 299 F HA -0.133 4.393 4.527 -0.000 0.000 0.295 299 F C 2.100 177.937 175.800 0.062 0.000 1.100 299 F CA 2.063 60.078 58.000 0.025 0.000 1.260 299 F CB -0.666 38.367 39.000 0.054 0.000 1.009 299 F HN 0.309 nan 8.300 nan 0.000 0.476 300 Y N 0.897 121.149 120.300 -0.079 0.000 2.256 300 Y HA -0.201 4.349 4.550 -0.000 0.000 0.288 300 Y C 2.092 177.834 175.900 -0.262 0.000 1.155 300 Y CA 1.533 59.523 58.100 -0.182 0.000 1.203 300 Y CB -0.857 37.631 38.460 0.047 0.000 0.980 300 Y HN 0.267 nan 8.280 nan 0.000 0.530 301 L N -0.309 120.693 121.223 -0.368 0.000 2.012 301 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 301 L C 2.163 178.701 176.870 -0.553 0.000 1.073 301 L CA 2.435 56.952 54.840 -0.539 0.000 0.748 301 L CB -0.712 40.947 42.059 -0.666 0.000 0.891 301 L HN 0.332 nan 8.230 nan 0.000 0.431 302 H N -1.978 116.841 119.070 -0.418 0.000 2.431 302 H HA -0.007 4.549 4.556 -0.000 0.000 0.295 302 H C 2.387 177.426 175.328 -0.483 0.000 1.038 302 H CA 0.900 56.674 56.048 -0.457 0.000 1.360 302 H CB -0.002 29.536 29.762 -0.375 0.000 1.433 302 H HN 0.496 nan 8.280 nan 0.000 0.536 303 S N 1.304 116.723 115.700 -0.469 0.000 2.359 303 S HA -0.279 4.191 4.470 -0.000 0.000 0.224 303 S C 2.115 176.540 174.600 -0.292 0.000 1.035 303 S CA 1.358 59.285 58.200 -0.454 0.000 1.018 303 S CB -0.269 62.462 63.200 -0.781 0.000 0.876 303 S HN 0.398 nan 8.310 nan 0.000 0.448 304 R N 0.896 121.182 120.500 -0.357 0.000 2.094 304 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 304 R C 2.471 178.628 176.300 -0.238 0.000 1.137 304 R CA 1.828 57.753 56.100 -0.291 0.000 0.943 304 R CB -0.671 29.326 30.300 -0.504 0.000 0.850 304 R HN 0.499 nan 8.270 nan 0.000 0.433 305 L N 0.743 121.744 121.223 -0.371 0.000 2.017 305 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 305 L C 2.032 178.725 176.870 -0.295 0.000 1.073 305 L CA 1.693 56.246 54.840 -0.478 0.000 0.745 305 L CB -0.252 41.289 42.059 -0.864 0.000 0.894 305 L HN 0.282 nan 8.230 nan 0.000 0.432 306 L N -0.639 120.429 121.223 -0.258 0.000 2.395 306 L HA -0.022 4.317 4.340 -0.000 0.000 0.218 306 L C 2.425 179.249 176.870 -0.076 0.000 1.130 306 L CA 0.288 55.045 54.840 -0.138 0.000 0.826 306 L CB -0.528 41.447 42.059 -0.140 0.000 0.941 306 L HN 0.307 nan 8.230 nan 0.000 0.451 307 E N 0.491 120.639 120.200 -0.087 0.000 2.152 307 E HA -0.146 4.203 4.350 -0.000 0.000 0.192 307 E C 2.214 178.796 176.600 -0.031 0.000 0.983 307 E CA 0.788 57.160 56.400 -0.046 0.000 0.818 307 E CB 0.084 29.762 29.700 -0.037 0.000 0.758 307 E HN 0.482 nan 8.360 nan 0.000 0.467 308 R N 0.762 121.241 120.500 -0.036 0.000 2.115 308 R HA 0.017 4.357 4.340 -0.000 0.000 0.230 308 R C 1.066 177.369 176.300 0.006 0.000 1.111 308 R CA 0.677 56.770 56.100 -0.013 0.000 0.976 308 R CB -0.138 30.155 30.300 -0.011 0.000 0.870 308 R HN -0.070 nan 8.270 nan 0.000 0.445 309 A N 1.239 124.067 122.820 0.014 0.000 2.438 309 A HA 0.535 4.854 4.320 -0.000 0.000 0.280 309 A C -0.119 177.471 177.584 0.009 0.000 1.160 309 A CA 0.224 52.276 52.037 0.024 0.000 0.821 309 A CB 0.023 19.047 19.000 0.041 0.000 1.101 309 A HN 0.350 nan 8.150 nan 0.000 0.515 310 A N 2.583 125.408 122.820 0.009 0.000 2.568 310 A HA 0.809 5.129 4.320 -0.000 0.000 0.291 310 A C -0.811 176.779 177.584 0.010 0.000 1.159 310 A CA -0.760 51.277 52.037 0.001 0.000 0.679 310 A CB 1.001 19.992 19.000 -0.016 0.000 1.285 310 A HN 0.729 nan 8.150 nan 0.000 0.428 311 K N 1.259 121.662 120.400 0.005 0.000 2.425 311 K HA 0.566 4.886 4.320 -0.000 0.000 0.259 311 K C -0.806 175.797 176.600 0.005 0.000 0.978 311 K CA -0.296 56.004 56.287 0.022 0.000 0.883 311 K CB 0.435 32.953 32.500 0.029 0.000 1.110 311 K HN 0.614 nan 8.250 nan 0.000 0.436 312 M N 3.061 122.666 119.600 0.008 0.000 2.250 312 M HA 0.204 4.684 4.480 -0.000 0.000 0.344 312 M C 0.338 176.662 176.300 0.040 0.000 1.150 312 M CA -0.624 54.678 55.300 0.003 0.000 1.147 312 M CB 0.463 33.075 32.600 0.020 0.000 1.498 312 M HN 0.702 nan 8.290 nan 0.000 0.461 313 N N 0.985 119.717 118.700 0.054 0.000 2.347 313 N HA 0.077 4.817 4.740 -0.000 0.000 0.253 313 N C 0.128 175.706 175.510 0.113 0.000 1.274 313 N CA -0.306 52.795 53.050 0.084 0.000 0.941 313 N CB 0.498 39.041 38.487 0.093 0.000 1.200 313 N HN 0.411 nan 8.380 nan 0.000 0.514 314 D N -0.804 119.650 120.400 0.090 0.000 2.178 314 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 314 D C 1.726 178.067 176.300 0.069 0.000 0.974 314 D CA 1.423 55.465 54.000 0.070 0.000 0.841 314 D CB -0.599 40.230 40.800 0.049 0.000 0.953 314 D HN 0.695 nan 8.370 nan 0.000 0.478 315 A N -0.294 122.587 122.820 0.102 0.000 2.019 315 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 315 A C 1.551 179.117 177.584 -0.030 0.000 1.164 315 A CA 0.951 53.021 52.037 0.055 0.000 0.644 315 A CB -0.543 18.527 19.000 0.117 0.000 0.805 315 A HN 0.175 nan 8.150 nan 0.000 0.449 316 F N -2.027 117.913 119.950 -0.017 0.000 2.678 316 F HA 0.409 4.936 4.527 -0.000 0.000 0.305 316 F C 1.698 177.473 175.800 -0.041 0.000 1.090 316 F CA 0.630 58.614 58.000 -0.026 0.000 1.272 316 F CB 1.041 40.028 39.000 -0.021 0.000 1.060 316 F HN 0.333 nan 8.300 nan 0.000 0.576 317 G N -1.154 107.695 108.800 0.083 0.000 2.813 317 G HA2 0.050 4.009 3.960 -0.000 0.000 0.194 317 G HA3 0.050 4.009 3.960 -0.000 0.000 0.194 317 G C 1.251 176.151 174.900 0.000 0.000 1.010 317 G CA -0.157 44.951 45.100 0.013 0.000 0.771 317 G HN 0.768 nan 8.290 nan 0.000 0.485 318 G N -0.230 108.589 108.800 0.031 0.000 2.245 318 G HA2 0.119 4.079 3.960 -0.000 0.000 0.264 318 G HA3 0.119 4.079 3.960 -0.000 0.000 0.264 318 G C 1.539 176.419 174.900 -0.033 0.000 0.985 318 G CA 1.260 46.381 45.100 0.035 0.000 0.625 318 G HN 2.041 nan 8.290 nan 0.000 0.536 319 G N -0.206 108.500 108.800 -0.157 0.000 2.683 319 G HA2 0.624 4.584 3.960 -0.000 0.000 0.260 319 G HA3 0.624 4.584 3.960 -0.000 0.000 0.260 319 G C 0.338 175.107 174.900 -0.218 0.000 1.238 319 G CA 1.268 46.127 45.100 -0.402 0.000 0.934 319 G HN 1.878 nan 8.290 nan 0.000 0.534 320 S N -1.660 113.922 115.700 -0.197 0.000 2.579 320 S HA 0.625 5.095 4.470 -0.000 0.000 0.272 320 S C -1.552 173.079 174.600 0.052 0.000 1.141 320 S CA -0.824 57.400 58.200 0.040 0.000 0.843 320 S CB 2.008 65.350 63.200 0.236 0.000 1.122 320 S HN 1.071 nan 8.310 nan 0.000 0.468 321 L N 1.989 123.242 121.223 0.050 0.000 2.404 321 L HA 0.669 5.009 4.340 -0.000 0.000 0.272 321 L C -0.511 176.374 176.870 0.025 0.000 0.980 321 L CA 0.228 55.094 54.840 0.043 0.000 0.836 321 L CB 1.715 43.802 42.059 0.047 0.000 1.238 321 L HN 0.954 nan 8.230 nan 0.000 0.408 322 T N 3.540 118.099 114.554 0.008 0.000 2.922 322 T HA 0.837 5.187 4.350 -0.000 0.000 0.285 322 T C -0.310 174.369 174.700 -0.035 0.000 1.005 322 T CA -0.230 61.864 62.100 -0.011 0.000 1.061 322 T CB 1.484 70.339 68.868 -0.023 0.000 1.007 322 T HN 0.794 nan 8.240 nan 0.000 0.502 323 A N 2.571 125.375 122.820 -0.025 0.000 2.353 323 A HA 0.694 5.013 4.320 -0.000 0.000 0.299 323 A C -0.656 176.909 177.584 -0.032 0.000 1.089 323 A CA -0.716 51.301 52.037 -0.033 0.000 0.736 323 A CB 0.625 19.673 19.000 0.081 0.000 1.195 323 A HN 0.833 nan 8.150 nan 0.000 0.447 324 L N 4.728 125.902 121.223 -0.083 0.000 2.506 324 L HA 0.329 4.669 4.340 -0.000 0.000 0.247 324 L C -2.307 174.542 176.870 -0.036 0.000 1.141 324 L CA -1.693 53.118 54.840 -0.048 0.000 0.973 324 L CB 1.292 43.322 42.059 -0.047 0.000 1.319 324 L HN 0.482 nan 8.230 nan 0.000 0.455 325 P HA 0.169 nan 4.420 nan 0.000 0.274 325 P C -0.554 176.743 177.300 -0.006 0.000 1.231 325 P CA -0.174 62.978 63.100 0.086 0.000 0.790 325 P CB 2.074 33.804 31.700 0.051 0.000 0.951 326 V N 3.748 123.651 119.914 -0.018 0.000 2.495 326 V HA 0.416 4.536 4.120 -0.000 0.000 0.298 326 V C 0.286 176.354 176.094 -0.044 0.000 1.031 326 V CA -0.608 61.678 62.300 -0.022 0.000 0.871 326 V CB 1.698 33.515 31.823 -0.009 0.000 0.988 326 V HN 0.405 nan 8.190 nan 0.000 0.432 327 I N 3.125 123.676 120.570 -0.032 0.000 2.498 327 I HA 0.449 4.619 4.170 -0.000 0.000 0.290 327 I C -0.057 176.067 176.117 0.012 0.000 1.032 327 I CA -0.512 60.767 61.300 -0.035 0.000 1.073 327 I CB 2.065 40.024 38.000 -0.069 0.000 1.251 327 I HN 0.764 nan 8.210 nan 0.000 0.426 328 E N 4.248 124.462 120.200 0.023 0.000 2.146 328 E HA 0.373 4.723 4.350 -0.000 0.000 0.282 328 E C -0.494 176.141 176.600 0.059 0.000 0.989 328 E CA -0.385 56.043 56.400 0.046 0.000 0.799 328 E CB 1.038 30.767 29.700 0.048 0.000 1.088 328 E HN 0.680 nan 8.360 nan 0.000 0.397 329 T N 1.771 116.373 114.554 0.080 0.000 2.902 329 T HA 0.313 4.663 4.350 -0.000 0.000 0.283 329 T C -0.079 174.676 174.700 0.093 0.000 1.009 329 T CA -1.073 61.080 62.100 0.088 0.000 1.051 329 T CB 1.546 70.481 68.868 0.112 0.000 0.999 329 T HN 0.312 nan 8.240 nan 0.000 0.474 330 Q N 1.256 121.108 119.800 0.087 0.000 2.274 330 Q HA 0.501 4.841 4.340 -0.000 0.000 0.256 330 Q C 0.818 176.869 176.000 0.086 0.000 0.927 330 Q CA 0.034 55.886 55.803 0.082 0.000 0.939 330 Q CB 1.375 30.160 28.738 0.079 0.000 1.201 330 Q HN 1.250 nan 8.270 nan 0.000 0.426 331 A N 2.475 125.345 122.820 0.083 0.000 2.826 331 A HA -0.209 4.110 4.320 -0.000 0.000 0.274 331 A C 1.115 178.765 177.584 0.110 0.000 1.443 331 A CA 1.475 53.562 52.037 0.084 0.000 0.833 331 A CB -2.146 16.896 19.000 0.069 0.000 1.023 331 A HN 1.543 nan 8.150 nan 0.000 0.600 332 G N -1.535 107.353 108.800 0.147 0.000 2.143 332 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.249 332 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.249 332 G C -0.104 174.923 174.900 0.211 0.000 0.981 332 G CA 1.005 46.249 45.100 0.239 0.000 0.665 332 G HN 1.643 nan 8.290 nan 0.000 0.528 333 D N 0.848 121.314 120.400 0.111 0.000 2.453 333 D HA 0.439 5.079 4.640 -0.000 0.000 0.223 333 D C 1.828 178.106 176.300 -0.037 0.000 1.183 333 D CA 0.280 54.304 54.000 0.041 0.000 0.933 333 D CB 0.581 41.411 40.800 0.050 0.000 1.038 333 D HN 0.437 nan 8.370 nan 0.000 0.513 334 V N 1.135 120.943 119.914 -0.178 0.000 2.871 334 V HA -0.041 4.079 4.120 -0.000 0.000 0.256 334 V C 2.027 178.018 176.094 -0.172 0.000 1.082 334 V CA 0.566 62.684 62.300 -0.305 0.000 1.105 334 V CB -0.469 30.917 31.823 -0.728 0.000 0.713 334 V HN 0.306 nan 8.190 nan 0.000 0.473 335 S N 0.587 116.223 115.700 -0.108 0.000 2.547 335 S HA 0.327 4.797 4.470 -0.000 0.000 0.235 335 S C 1.313 175.912 174.600 -0.002 0.000 0.980 335 S CA 0.523 58.693 58.200 -0.049 0.000 0.941 335 S CB -0.578 62.608 63.200 -0.024 0.000 0.763 335 S HN 0.841 nan 8.310 nan 0.000 0.532 336 A N 0.441 123.265 122.820 0.007 0.000 2.455 336 A HA 0.225 4.544 4.320 -0.000 0.000 0.244 336 A C 0.923 178.565 177.584 0.097 0.000 1.099 336 A CA -0.035 52.041 52.037 0.066 0.000 0.786 336 A CB -0.221 18.820 19.000 0.069 0.000 1.051 336 A HN 0.431 nan 8.150 nan 0.000 0.508 337 Y N 0.782 121.100 120.300 0.031 0.000 2.089 337 Y HA -0.203 4.347 4.550 -0.000 0.000 0.282 337 Y C 1.812 177.729 175.900 0.028 0.000 1.139 337 Y CA 2.228 60.351 58.100 0.038 0.000 1.123 337 Y CB -0.195 38.307 38.460 0.069 0.000 0.980 337 Y HN 0.456 nan 8.280 nan 0.000 0.493 338 I N 0.726 121.156 120.570 -0.234 0.000 2.202 338 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 338 I C -0.443 175.556 176.117 -0.196 0.000 1.091 338 I CA 1.201 62.292 61.300 -0.347 0.000 1.368 338 I CB -2.561 35.288 38.000 -0.250 0.000 1.058 338 I HN 0.188 nan 8.210 nan 0.000 0.410 339 P HA -0.167 nan 4.420 nan 0.000 0.214 339 P C 1.817 179.055 177.300 -0.103 0.000 1.169 339 P CA 2.681 65.722 63.100 -0.098 0.000 0.908 339 P CB -0.327 31.324 31.700 -0.081 0.000 0.791 340 T N -3.738 110.762 114.554 -0.090 0.000 2.833 340 T HA -0.151 4.198 4.350 -0.000 0.000 0.269 340 T C 1.739 176.408 174.700 -0.052 0.000 1.054 340 T CA 1.488 63.549 62.100 -0.065 0.000 1.135 340 T CB -1.256 67.591 68.868 -0.034 0.000 0.869 340 T HN -0.039 nan 8.240 nan 0.000 0.466 341 N N 1.065 119.705 118.700 -0.100 0.000 2.205 341 N HA -0.044 4.695 4.740 -0.000 0.000 0.186 341 N C 1.752 177.300 175.510 0.064 0.000 1.015 341 N CA 1.041 54.077 53.050 -0.024 0.000 0.862 341 N CB -0.473 37.901 38.487 -0.188 0.000 0.986 341 N HN 0.418 nan 8.380 nan 0.000 0.429 342 V N 0.347 120.235 119.914 -0.042 0.000 2.599 342 V HA 0.014 4.134 4.120 -0.000 0.000 0.245 342 V C 2.104 178.168 176.094 -0.049 0.000 1.046 342 V CA 0.622 62.873 62.300 -0.082 0.000 1.065 342 V CB -0.265 31.441 31.823 -0.196 0.000 0.703 342 V HN 0.192 nan 8.190 nan 0.000 0.464 343 I N 1.841 122.384 120.570 -0.045 0.000 2.194 343 I HA -0.265 3.905 4.170 -0.000 0.000 0.246 343 I C 2.607 178.726 176.117 0.004 0.000 1.093 343 I CA 2.036 63.318 61.300 -0.030 0.000 1.355 343 I CB -0.484 37.488 38.000 -0.047 0.000 1.046 343 I HN 0.493 nan 8.210 nan 0.000 0.413 344 S N 0.252 115.972 115.700 0.034 0.000 2.547 344 S HA -0.020 4.450 4.470 -0.000 0.000 0.235 344 S C 1.660 176.338 174.600 0.130 0.000 0.980 344 S CA 0.683 58.930 58.200 0.077 0.000 0.941 344 S CB -0.469 62.786 63.200 0.091 0.000 0.763 344 S HN 0.460 nan 8.310 nan 0.000 0.532 345 I N 1.455 122.082 120.570 0.094 0.000 2.899 345 I HA 0.053 4.223 4.170 -0.000 0.000 0.257 345 I C 1.354 177.479 176.117 0.014 0.000 1.115 345 I CA 0.646 61.981 61.300 0.058 0.000 1.451 345 I CB -0.451 37.530 38.000 -0.032 0.000 1.251 345 I HN 0.329 nan 8.210 nan 0.000 0.456 346 T N -1.115 113.435 114.554 -0.008 0.000 2.860 346 T HA 0.064 4.414 4.350 -0.000 0.000 0.299 346 T C 0.187 174.888 174.700 0.001 0.000 1.045 346 T CA -0.528 61.566 62.100 -0.011 0.000 1.071 346 T CB 0.577 69.433 68.868 -0.020 0.000 0.985 346 T HN 0.062 nan 8.240 nan 0.000 0.537 347 D N 1.792 122.193 120.400 0.001 0.000 2.982 347 D HA 0.389 5.029 4.640 -0.000 0.000 0.238 347 D C 1.126 177.429 176.300 0.004 0.000 1.168 347 D CA 0.702 54.705 54.000 0.004 0.000 0.947 347 D CB -0.882 39.920 40.800 0.003 0.000 1.147 347 D HN 1.035 nan 8.370 nan 0.000 0.450 348 G N 1.282 110.085 108.800 0.004 0.000 2.541 348 G HA2 0.018 3.977 3.960 -0.000 0.000 0.686 348 G HA3 0.018 3.977 3.960 -0.000 0.000 0.686 348 G C -1.164 173.740 174.900 0.006 0.000 1.286 348 G CA -0.940 44.164 45.100 0.006 0.000 0.894 348 G HN 0.279 nan 8.290 nan 0.000 0.575 349 Q N -0.913 118.897 119.800 0.015 0.000 2.462 349 Q HA 0.731 5.071 4.340 -0.000 0.000 0.285 349 Q C -1.303 174.730 176.000 0.055 0.000 1.035 349 Q CA -1.015 54.803 55.803 0.025 0.000 0.799 349 Q CB 1.874 30.618 28.738 0.011 0.000 1.452 349 Q HN 1.036 nan 8.270 nan 0.000 0.404 350 I N 1.991 122.605 120.570 0.072 0.000 2.382 350 I HA 0.390 4.559 4.170 -0.000 0.000 0.286 350 I C -0.971 175.250 176.117 0.175 0.000 1.002 350 I CA -0.806 60.552 61.300 0.097 0.000 1.135 350 I CB 1.136 39.171 38.000 0.057 0.000 1.288 350 I HN 0.476 nan 8.210 nan 0.000 0.448 351 F N 7.992 127.944 119.950 0.004 0.000 2.421 351 F HA 0.689 5.216 4.527 -0.000 0.000 0.337 351 F C -1.087 174.720 175.800 0.011 0.000 1.105 351 F CA -1.135 56.868 58.000 0.005 0.000 1.049 351 F CB 1.042 40.047 39.000 0.009 0.000 1.139 351 F HN 0.172 nan 8.300 nan 0.000 0.479 352 L N 5.279 126.223 121.223 -0.464 0.000 2.385 352 L HA 0.529 4.869 4.340 -0.000 0.000 0.273 352 L C -0.756 175.682 176.870 -0.720 0.000 0.990 352 L CA -0.760 53.798 54.840 -0.470 0.000 0.821 352 L CB 2.183 44.123 42.059 -0.198 0.000 1.279 352 L HN 0.550 nan 8.230 nan 0.000 0.412 353 E N 0.070 119.964 120.200 -0.510 0.000 2.227 353 E HA 0.255 4.605 4.350 -0.000 0.000 0.268 353 E C 0.334 176.874 176.600 -0.100 0.000 0.907 353 E CA -0.371 55.825 56.400 -0.341 0.000 0.786 353 E CB 2.366 31.902 29.700 -0.274 0.000 1.191 353 E HN 0.735 nan 8.360 nan 0.000 0.411 354 T N -0.991 113.559 114.554 -0.008 0.000 2.788 354 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 354 T C 1.525 176.415 174.700 0.317 0.000 1.044 354 T CA 1.123 63.320 62.100 0.161 0.000 1.139 354 T CB -0.002 69.037 68.868 0.284 0.000 0.867 354 T HN 0.484 nan 8.240 nan 0.000 0.454 355 E N 1.073 121.390 120.200 0.195 0.000 2.038 355 E HA -0.127 4.222 4.350 -0.000 0.000 0.195 355 E C 2.212 178.898 176.600 0.144 0.000 1.000 355 E CA 1.355 57.860 56.400 0.175 0.000 0.803 355 E CB -0.288 29.470 29.700 0.098 0.000 0.750 355 E HN 0.572 nan 8.360 nan 0.000 0.448 356 L N -0.064 121.208 121.223 0.081 0.000 2.046 356 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 356 L C 2.498 179.399 176.870 0.050 0.000 1.077 356 L CA 1.138 56.006 54.840 0.046 0.000 0.747 356 L CB -0.542 41.519 42.059 0.004 0.000 0.896 356 L HN 0.186 nan 8.230 nan 0.000 0.432 357 F N -0.127 119.757 119.950 -0.110 0.000 2.069 357 F HA -0.300 4.227 4.527 -0.000 0.000 0.298 357 F C 2.319 177.988 175.800 -0.219 0.000 1.113 357 F CA 1.676 59.543 58.000 -0.221 0.000 1.214 357 F CB -0.223 38.551 39.000 -0.375 0.000 0.978 357 F HN -0.081 nan 8.300 nan 0.000 0.474 358 Y N 0.269 120.618 120.300 0.081 0.000 2.395 358 Y HA -0.014 4.535 4.550 -0.000 0.000 0.293 358 Y C 2.225 178.092 175.900 -0.055 0.000 1.123 358 Y CA 1.025 59.117 58.100 -0.013 0.000 1.227 358 Y CB -0.582 37.934 38.460 0.093 0.000 1.012 358 Y HN -0.043 nan 8.280 nan 0.000 0.552 359 K N -0.758 119.705 120.400 0.106 0.000 2.442 359 K HA -0.008 4.311 4.320 -0.000 0.000 0.198 359 K C 1.459 178.054 176.600 -0.009 0.000 1.042 359 K CA 0.993 57.309 56.287 0.049 0.000 0.958 359 K CB -0.172 32.357 32.500 0.049 0.000 0.766 359 K HN 0.542 nan 8.250 nan 0.000 0.474 360 G N 0.740 109.495 108.800 -0.074 0.000 2.699 360 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.198 360 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.198 360 G C -0.007 174.819 174.900 -0.124 0.000 1.033 360 G CA -0.507 44.528 45.100 -0.108 0.000 0.728 360 G HN 0.099 nan 8.290 nan 0.000 0.484 361 I N 2.824 123.349 120.570 -0.075 0.000 2.671 361 I HA 0.346 4.516 4.170 -0.000 0.000 0.285 361 I C 0.784 176.857 176.117 -0.072 0.000 1.148 361 I CA 0.948 62.218 61.300 -0.051 0.000 1.386 361 I CB 0.277 38.270 38.000 -0.011 0.000 1.406 361 I HN 0.157 nan 8.210 nan 0.000 0.540 362 R N 7.617 128.075 120.500 -0.070 0.000 2.515 362 R HA 0.400 4.740 4.340 -0.000 0.000 0.291 362 R C -2.602 173.681 176.300 -0.028 0.000 1.046 362 R CA -1.740 54.328 56.100 -0.054 0.000 0.914 362 R CB 1.901 32.128 30.300 -0.121 0.000 1.191 362 R HN 0.289 nan 8.270 nan 0.000 0.435 363 P HA 0.001 nan 4.420 nan 0.000 0.268 363 P C -0.367 176.941 177.300 0.014 0.000 1.205 363 P CA -0.127 62.980 63.100 0.011 0.000 0.771 363 P CB 0.938 32.639 31.700 0.002 0.000 0.858 364 A N 4.811 127.654 122.820 0.038 0.000 3.074 364 A HA 0.206 4.526 4.320 -0.000 0.000 0.251 364 A C 0.771 178.328 177.584 -0.045 0.000 1.695 364 A CA -0.414 51.632 52.037 0.015 0.000 1.343 364 A CB -1.474 17.569 19.000 0.071 0.000 1.078 364 A HN 0.464 nan 8.150 nan 0.000 0.644 365 I N 0.998 121.553 120.570 -0.024 0.000 2.441 365 I HA 0.057 4.227 4.170 -0.000 0.000 0.287 365 I C 0.566 176.675 176.117 -0.012 0.000 1.049 365 I CA -0.426 60.861 61.300 -0.021 0.000 1.381 365 I CB 0.675 38.681 38.000 0.010 0.000 1.409 365 I HN 0.378 nan 8.210 nan 0.000 0.523 366 N N 6.121 124.812 118.700 -0.014 0.000 2.415 366 N HA 0.073 4.813 4.740 -0.000 0.000 0.250 366 N C 0.832 176.392 175.510 0.083 0.000 1.127 366 N CA -0.122 52.953 53.050 0.041 0.000 0.945 366 N CB 1.394 39.937 38.487 0.094 0.000 1.196 366 N HN 0.462 nan 8.380 nan 0.000 0.499 367 V N 3.367 123.319 119.914 0.065 0.000 2.490 367 V HA -0.133 3.986 4.120 -0.000 0.000 0.250 367 V C 2.333 178.467 176.094 0.067 0.000 1.061 367 V CA 2.049 64.387 62.300 0.064 0.000 1.064 367 V CB -0.846 31.016 31.823 0.066 0.000 0.670 367 V HN 0.682 nan 8.190 nan 0.000 0.461 368 G N -0.246 108.598 108.800 0.072 0.000 2.396 368 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.214 368 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.214 368 G C 1.570 176.514 174.900 0.073 0.000 1.166 368 G CA 0.590 45.729 45.100 0.064 0.000 0.793 368 G HN 0.470 nan 8.290 nan 0.000 0.533 369 L N 0.757 122.049 121.223 0.115 0.000 2.249 369 L HA 0.180 4.520 4.340 -0.000 0.000 0.207 369 L C 1.172 178.097 176.870 0.092 0.000 1.090 369 L CA 0.052 54.959 54.840 0.112 0.000 0.802 369 L CB -0.011 42.169 42.059 0.201 0.000 0.947 369 L HN 0.010 nan 8.230 nan 0.000 0.453 370 S N -0.083 115.690 115.700 0.122 0.000 2.580 370 S HA 0.446 4.916 4.470 -0.000 0.000 0.274 370 S C -0.231 174.402 174.600 0.056 0.000 1.329 370 S CA -0.569 57.687 58.200 0.095 0.000 1.036 370 S CB 1.548 64.812 63.200 0.108 0.000 0.919 370 S HN 0.102 nan 8.310 nan 0.000 0.515 371 V N -0.458 119.480 119.914 0.040 0.000 3.159 371 V HA 0.908 5.027 4.120 -0.000 0.000 0.308 371 V C -0.513 175.594 176.094 0.021 0.000 1.190 371 V CA -0.862 61.454 62.300 0.027 0.000 1.037 371 V CB 1.931 33.765 31.823 0.018 0.000 1.060 371 V HN 0.694 nan 8.190 nan 0.000 0.437 372 S N 0.280 115.990 115.700 0.016 0.000 2.707 372 S HA 0.529 4.998 4.470 -0.000 0.000 0.303 372 S C 0.484 175.089 174.600 0.008 0.000 1.132 372 S CA -0.752 57.455 58.200 0.012 0.000 1.046 372 S CB 1.602 64.809 63.200 0.011 0.000 1.004 372 S HN 0.819 nan 8.310 nan 0.000 0.483 373 R N 2.981 123.486 120.500 0.007 0.000 2.275 373 R HA 0.086 4.426 4.340 -0.000 0.000 0.199 373 R C 1.241 177.543 176.300 0.004 0.000 0.989 373 R CA 0.645 56.748 56.100 0.006 0.000 1.016 373 R CB -0.063 30.241 30.300 0.006 0.000 0.918 373 R HN 0.508 nan 8.270 nan 0.000 0.473 374 V N -0.094 119.822 119.914 0.003 0.000 2.685 374 V HA 0.120 4.239 4.120 -0.000 0.000 0.244 374 V C 1.492 177.587 176.094 0.001 0.000 1.054 374 V CA 1.171 63.471 62.300 0.001 0.000 1.076 374 V CB -0.299 31.523 31.823 -0.002 0.000 0.725 374 V HN 0.626 nan 8.190 nan 0.000 0.467 375 G N 1.194 109.995 108.800 0.002 0.000 2.528 375 G HA2 -0.378 3.581 3.960 -0.000 0.000 0.262 375 G HA3 -0.378 3.581 3.960 -0.000 0.000 0.262 375 G C 1.150 176.051 174.900 0.002 0.000 1.200 375 G CA 1.102 46.204 45.100 0.004 0.000 0.951 375 G HN 0.933 nan 8.290 nan 0.000 0.566 376 S N 0.280 115.982 115.700 0.003 0.000 2.419 376 S HA 0.185 4.655 4.470 -0.000 0.000 0.233 376 S C 2.617 177.217 174.600 0.001 0.000 1.016 376 S CA 2.039 60.241 58.200 0.003 0.000 0.974 376 S CB -0.530 62.673 63.200 0.005 0.000 0.786 376 S HN 2.178 nan 8.310 nan 0.000 0.492 377 A N 1.265 124.085 122.820 -0.000 0.000 2.131 377 A HA 0.375 4.694 4.320 -0.000 0.000 0.220 377 A C 2.185 179.764 177.584 -0.007 0.000 1.158 377 A CA 1.350 53.386 52.037 -0.002 0.000 0.665 377 A CB -0.955 18.045 19.000 -0.001 0.000 0.795 377 A HN 0.947 nan 8.150 nan 0.000 0.460 378 A N -1.440 121.375 122.820 -0.008 0.000 2.308 378 A HA 0.328 4.648 4.320 -0.000 0.000 0.217 378 A C 0.824 178.398 177.584 -0.017 0.000 1.216 378 A CA -0.143 51.885 52.037 -0.016 0.000 0.864 378 A CB 0.041 19.032 19.000 -0.015 0.000 0.902 378 A HN 0.608 nan 8.150 nan 0.000 0.499 379 Q N 0.284 120.080 119.800 -0.008 0.000 2.248 379 Q HA 0.439 4.778 4.340 -0.000 0.000 0.263 379 Q C -0.148 175.852 176.000 -0.001 0.000 1.007 379 Q CA -0.542 55.260 55.803 -0.002 0.000 0.877 379 Q CB 1.453 30.195 28.738 0.006 0.000 1.315 379 Q HN 0.431 nan 8.270 nan 0.000 0.454 380 T N -1.158 113.398 114.554 0.004 0.000 2.918 380 T HA 0.160 4.510 4.350 -0.000 0.000 0.302 380 T C 0.672 175.380 174.700 0.014 0.000 1.045 380 T CA -0.545 61.560 62.100 0.008 0.000 1.114 380 T CB 0.704 69.581 68.868 0.016 0.000 0.965 380 T HN 0.504 nan 8.240 nan 0.000 0.540 381 R N 1.622 122.130 120.500 0.013 0.000 2.293 381 R HA 0.118 4.458 4.340 -0.000 0.000 0.219 381 R C 2.379 178.694 176.300 0.026 0.000 1.091 381 R CA 1.033 57.144 56.100 0.017 0.000 1.004 381 R CB -0.863 29.446 30.300 0.015 0.000 0.865 381 R HN 0.810 nan 8.270 nan 0.000 0.469 382 A N 0.263 123.099 122.820 0.027 0.000 1.903 382 A HA -0.043 4.277 4.320 -0.000 0.000 0.213 382 A C 1.999 179.612 177.584 0.048 0.000 1.185 382 A CA 0.955 53.014 52.037 0.037 0.000 0.628 382 A CB -0.227 18.790 19.000 0.028 0.000 0.830 382 A HN 0.239 nan 8.150 nan 0.000 0.446 383 M N -0.033 119.591 119.600 0.039 0.000 2.200 383 M HA 0.024 4.504 4.480 -0.000 0.000 0.265 383 M C 1.829 178.150 176.300 0.036 0.000 1.066 383 M CA 1.750 57.074 55.300 0.040 0.000 1.127 383 M CB -0.401 32.218 32.600 0.031 0.000 1.379 383 M HN 0.343 nan 8.290 nan 0.000 0.420 384 K N -0.511 119.906 120.400 0.029 0.000 2.147 384 K HA -0.176 4.143 4.320 -0.000 0.000 0.205 384 K C 1.882 178.498 176.600 0.027 0.000 1.049 384 K CA 1.468 57.768 56.287 0.022 0.000 0.936 384 K CB -0.062 32.448 32.500 0.017 0.000 0.722 384 K HN 0.500 nan 8.250 nan 0.000 0.446 385 Q N -0.322 119.503 119.800 0.040 0.000 2.437 385 Q HA -0.086 4.254 4.340 -0.000 0.000 0.210 385 Q C 1.487 177.518 176.000 0.052 0.000 0.972 385 Q CA 1.080 56.913 55.803 0.050 0.000 0.903 385 Q CB 0.445 29.228 28.738 0.075 0.000 0.967 385 Q HN 0.282 nan 8.270 nan 0.000 0.486 386 V N -6.351 113.594 119.914 0.051 0.000 3.485 386 V HA 0.472 4.592 4.120 -0.000 0.000 0.280 386 V C 0.980 177.082 176.094 0.012 0.000 1.495 386 V CA 0.411 62.733 62.300 0.036 0.000 1.018 386 V CB 0.732 32.606 31.823 0.085 0.000 0.818 386 V HN 0.054 nan 8.190 nan 0.000 0.436 387 A N 0.740 123.569 122.820 0.016 0.000 2.545 387 A HA 0.634 4.954 4.320 -0.000 0.000 0.263 387 A C 1.844 179.430 177.584 0.004 0.000 1.202 387 A CA 0.655 52.697 52.037 0.008 0.000 0.959 387 A CB -0.123 18.886 19.000 0.015 0.000 1.124 387 A HN 0.550 nan 8.150 nan 0.000 0.543 388 G N 0.639 109.441 108.800 0.003 0.000 2.450 388 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.220 388 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.220 388 G C 1.281 176.179 174.900 -0.003 0.000 1.130 388 G CA 2.052 47.153 45.100 0.001 0.000 0.760 388 G HN 0.847 nan 8.290 nan 0.000 0.557 389 T N -3.478 111.071 114.554 -0.009 0.000 3.111 389 T HA 0.322 4.672 4.350 -0.000 0.000 0.284 389 T C 1.833 176.526 174.700 -0.012 0.000 0.983 389 T CA 0.294 62.388 62.100 -0.011 0.000 0.900 389 T CB 0.143 69.001 68.868 -0.017 0.000 1.132 389 T HN 0.116 nan 8.240 nan 0.000 0.531 390 M N 1.288 120.880 119.600 -0.012 0.000 2.175 390 M HA 0.111 4.591 4.480 -0.000 0.000 0.264 390 M C 2.321 178.620 176.300 -0.001 0.000 1.063 390 M CA 1.430 56.721 55.300 -0.015 0.000 1.119 390 M CB -0.116 32.474 32.600 -0.017 0.000 1.377 390 M HN 0.141 nan 8.290 nan 0.000 0.415 391 K N 0.436 120.840 120.400 0.007 0.000 2.001 391 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 391 K C 1.731 178.345 176.600 0.023 0.000 1.048 391 K CA 1.452 57.750 56.287 0.018 0.000 0.932 391 K CB -0.269 32.242 32.500 0.018 0.000 0.715 391 K HN 0.420 nan 8.250 nan 0.000 0.437 392 L N 0.599 121.831 121.223 0.015 0.000 2.291 392 L HA -0.097 4.243 4.340 -0.000 0.000 0.214 392 L C 2.517 179.399 176.870 0.020 0.000 1.120 392 L CA 0.862 55.711 54.840 0.016 0.000 0.799 392 L CB -0.370 41.693 42.059 0.008 0.000 0.925 392 L HN 0.381 nan 8.230 nan 0.000 0.446 393 E N 1.004 121.214 120.200 0.016 0.000 2.047 393 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 393 E C 2.327 178.963 176.600 0.060 0.000 0.987 393 E CA 0.999 57.410 56.400 0.019 0.000 0.799 393 E CB 0.058 29.752 29.700 -0.010 0.000 0.752 393 E HN 0.472 nan 8.360 nan 0.000 0.449 394 L N 0.298 121.561 121.223 0.066 0.000 2.217 394 L HA -0.048 4.292 4.340 -0.000 0.000 0.211 394 L C 2.592 179.553 176.870 0.152 0.000 1.107 394 L CA 0.680 55.604 54.840 0.140 0.000 0.783 394 L CB -0.318 41.801 42.059 0.100 0.000 0.919 394 L HN 0.194 nan 8.230 nan 0.000 0.442 395 A N -0.685 122.185 122.820 0.082 0.000 1.933 395 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 395 A C 2.265 179.871 177.584 0.037 0.000 1.175 395 A CA 1.238 53.306 52.037 0.052 0.000 0.628 395 A CB -0.287 18.734 19.000 0.035 0.000 0.814 395 A HN 0.347 nan 8.150 nan 0.000 0.444 396 Q N -1.873 117.956 119.800 0.048 0.000 2.172 396 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 396 Q C 1.885 177.918 176.000 0.055 0.000 0.964 396 Q CA 1.495 57.318 55.803 0.032 0.000 0.855 396 Q CB -0.342 28.413 28.738 0.029 0.000 0.918 396 Q HN 0.891 nan 8.270 nan 0.000 0.444 397 Y N 1.217 121.506 120.300 -0.018 0.000 2.163 397 Y HA -0.152 4.397 4.550 -0.000 0.000 0.288 397 Y C 2.373 178.266 175.900 -0.012 0.000 1.136 397 Y CA 1.709 59.798 58.100 -0.018 0.000 1.147 397 Y CB -0.223 38.224 38.460 -0.021 0.000 0.987 397 Y HN -0.067 nan 8.280 nan 0.000 0.509 398 R N 0.381 120.712 120.500 -0.281 0.000 2.152 398 R HA -0.175 4.165 4.340 -0.000 0.000 0.232 398 R C 2.379 178.536 176.300 -0.239 0.000 1.117 398 R CA 1.548 57.439 56.100 -0.349 0.000 0.981 398 R CB -0.268 29.970 30.300 -0.104 0.000 0.870 398 R HN 0.452 nan 8.270 nan 0.000 0.451 399 E N 0.039 120.153 120.200 -0.143 0.000 2.033 399 E HA -0.123 4.227 4.350 -0.000 0.000 0.189 399 E C 1.707 178.254 176.600 -0.089 0.000 0.979 399 E CA 1.168 57.515 56.400 -0.089 0.000 0.802 399 E CB -0.195 29.467 29.700 -0.063 0.000 0.763 399 E HN 0.212 nan 8.360 nan 0.000 0.449 400 V N 1.116 120.973 119.914 -0.096 0.000 3.078 400 V HA -0.107 4.013 4.120 -0.000 0.000 0.265 400 V C 2.182 178.226 176.094 -0.084 0.000 1.122 400 V CA 1.519 63.797 62.300 -0.037 0.000 1.141 400 V CB -0.465 31.356 31.823 -0.002 0.000 0.735 400 V HN 0.386 nan 8.190 nan 0.000 0.498 401 A N -0.209 122.466 122.820 -0.241 0.000 1.897 401 A HA 0.094 4.413 4.320 -0.000 0.000 0.215 401 A C 2.290 179.738 177.584 -0.227 0.000 1.181 401 A CA 1.591 53.455 52.037 -0.289 0.000 0.620 401 A CB -0.590 18.076 19.000 -0.556 0.000 0.821 401 A HN 0.708 nan 8.150 nan 0.000 0.443 402 A N -2.291 120.412 122.820 -0.195 0.000 2.123 402 A HA 0.257 4.576 4.320 -0.000 0.000 0.214 402 A C 1.759 179.107 177.584 -0.393 0.000 1.152 402 A CA 0.927 52.844 52.037 -0.200 0.000 0.728 402 A CB -0.469 18.487 19.000 -0.072 0.000 0.814 402 A HN 0.571 nan 8.150 nan 0.000 0.464 403 F N -0.029 119.648 119.950 -0.455 0.000 2.530 403 F HA 0.335 4.862 4.527 -0.000 0.000 0.292 403 F C 2.104 177.499 175.800 -0.674 0.000 1.109 403 F CA 0.794 58.462 58.000 -0.552 0.000 1.450 403 F CB 0.159 39.069 39.000 -0.149 0.000 1.114 403 F HN 0.184 nan 8.300 nan 0.000 0.560 404 A N 0.203 122.804 122.820 -0.366 0.000 2.251 404 A HA -0.028 4.292 4.320 -0.000 0.000 0.209 404 A C 1.792 179.162 177.584 -0.356 0.000 1.187 404 A CA 0.552 52.420 52.037 -0.282 0.000 0.823 404 A CB -0.887 18.063 19.000 -0.083 0.000 0.846 404 A HN 0.625 nan 8.150 nan 0.000 0.486 405 Q N -1.138 118.333 119.800 -0.548 0.000 2.373 405 Q HA 0.092 4.431 4.340 -0.000 0.000 0.206 405 Q C -0.209 175.659 176.000 -0.219 0.000 0.942 405 Q CA 0.210 55.805 55.803 -0.347 0.000 0.953 405 Q CB -0.397 28.184 28.738 -0.262 0.000 1.022 405 Q HN 0.458 nan 8.270 nan 0.000 0.502 406 F N 0.346 120.204 119.950 -0.153 0.000 2.660 406 F HA 0.434 4.960 4.527 -0.000 0.000 0.302 406 F C 1.504 177.230 175.800 -0.123 0.000 1.103 406 F CA -0.421 57.482 58.000 -0.163 0.000 1.340 406 F CB 0.340 39.181 39.000 -0.265 0.000 1.048 406 F HN 0.265 nan 8.300 nan 0.000 0.551 407 G N -0.056 108.761 108.800 0.028 0.000 2.159 407 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.256 407 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.256 407 G C 0.308 175.209 174.900 0.002 0.000 0.977 407 G CA 0.268 45.375 45.100 0.012 0.000 0.652 407 G HN 0.305 nan 8.290 nan 0.000 0.531 408 S N 1.648 117.343 115.700 -0.008 0.000 2.531 408 S HA 0.433 4.903 4.470 -0.000 0.000 0.279 408 S C 0.173 174.774 174.600 0.002 0.000 1.305 408 S CA 0.142 58.340 58.200 -0.002 0.000 1.058 408 S CB 0.958 64.153 63.200 -0.007 0.000 0.899 408 S HN 0.583 nan 8.310 nan 0.000 0.493 409 D N 1.890 122.296 120.400 0.010 0.000 2.417 409 D HA 0.261 4.901 4.640 -0.000 0.000 0.250 409 D C -0.644 175.667 176.300 0.019 0.000 1.166 409 D CA -0.131 53.876 54.000 0.011 0.000 0.881 409 D CB 0.011 40.817 40.800 0.010 0.000 1.164 409 D HN 0.287 nan 8.370 nan 0.000 0.467 410 L N 2.623 123.856 121.223 0.016 0.000 2.296 410 L HA 0.255 4.594 4.340 -0.000 0.000 0.286 410 L C 0.343 177.224 176.870 0.019 0.000 1.023 410 L CA -1.251 53.603 54.840 0.024 0.000 0.812 410 L CB 1.149 43.221 42.059 0.022 0.000 1.223 410 L HN 0.454 nan 8.230 nan 0.000 0.421 411 D N 2.768 123.181 120.400 0.022 0.000 2.443 411 D HA -0.028 4.612 4.640 -0.000 0.000 0.239 411 D C 1.046 177.352 176.300 0.010 0.000 1.136 411 D CA 0.013 54.022 54.000 0.015 0.000 0.879 411 D CB 1.580 42.389 40.800 0.016 0.000 1.195 411 D HN 0.604 nan 8.370 nan 0.000 0.443 412 A N 2.567 125.389 122.820 0.003 0.000 2.042 412 A HA -0.129 4.191 4.320 -0.000 0.000 0.222 412 A C 2.205 179.786 177.584 -0.005 0.000 1.167 412 A CA 2.188 54.223 52.037 -0.003 0.000 0.649 412 A CB -0.735 18.261 19.000 -0.008 0.000 0.809 412 A HN 0.765 nan 8.150 nan 0.000 0.457 413 A N -1.690 121.129 122.820 -0.002 0.000 1.930 413 A HA -0.070 4.249 4.320 -0.000 0.000 0.217 413 A C 2.303 179.889 177.584 0.003 0.000 1.175 413 A CA 2.190 54.224 52.037 -0.004 0.000 0.627 413 A CB -0.872 18.127 19.000 -0.002 0.000 0.815 413 A HN 0.495 nan 8.150 nan 0.000 0.443 414 T N -1.636 112.926 114.554 0.013 0.000 3.081 414 T HA 0.050 4.400 4.350 -0.000 0.000 0.250 414 T C 1.756 176.473 174.700 0.028 0.000 1.100 414 T CA 0.852 62.967 62.100 0.026 0.000 1.038 414 T CB -0.242 68.649 68.868 0.039 0.000 0.962 414 T HN 0.566 nan 8.240 nan 0.000 0.516 415 Q N 0.053 119.862 119.800 0.014 0.000 2.137 415 Q HA -0.055 4.285 4.340 -0.000 0.000 0.198 415 Q C 2.243 178.240 176.000 -0.004 0.000 0.960 415 Q CA 1.042 56.850 55.803 0.008 0.000 0.847 415 Q CB -0.039 28.699 28.738 -0.000 0.000 0.915 415 Q HN 0.424 nan 8.270 nan 0.000 0.448 416 Q N 0.983 120.774 119.800 -0.014 0.000 2.084 416 Q HA -0.165 4.174 4.340 -0.000 0.000 0.202 416 Q C 1.708 177.683 176.000 -0.042 0.000 0.978 416 Q CA 1.323 57.105 55.803 -0.035 0.000 0.844 416 Q CB -0.251 28.464 28.738 -0.038 0.000 0.898 416 Q HN 0.296 nan 8.270 nan 0.000 0.426 417 L N -0.585 120.630 121.223 -0.012 0.000 2.240 417 L HA 0.056 4.396 4.340 -0.000 0.000 0.211 417 L C 2.021 178.911 176.870 0.034 0.000 1.106 417 L CA 0.979 55.820 54.840 0.002 0.000 0.793 417 L CB -0.195 41.890 42.059 0.042 0.000 0.927 417 L HN 0.311 nan 8.230 nan 0.000 0.446 418 L N -1.827 119.441 121.223 0.075 0.000 2.056 418 L HA -0.179 4.161 4.340 -0.000 0.000 0.207 418 L C 2.451 179.324 176.870 0.005 0.000 1.078 418 L CA 1.205 56.129 54.840 0.141 0.000 0.749 418 L CB -0.344 41.781 42.059 0.110 0.000 0.901 418 L HN 0.174 nan 8.230 nan 0.000 0.433 419 S N -0.731 114.941 115.700 -0.047 0.000 2.383 419 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 419 S C 2.016 176.516 174.600 -0.166 0.000 1.026 419 S CA 1.055 59.201 58.200 -0.089 0.000 0.981 419 S CB -0.161 62.994 63.200 -0.075 0.000 0.818 419 S HN 0.238 nan 8.310 nan 0.000 0.472 420 R N 1.490 121.874 120.500 -0.194 0.000 2.090 420 R HA 0.060 4.400 4.340 -0.000 0.000 0.228 420 R C 2.228 178.298 176.300 -0.383 0.000 1.110 420 R CA 1.500 57.456 56.100 -0.240 0.000 0.973 420 R CB -1.133 29.053 30.300 -0.190 0.000 0.869 420 R HN 0.370 nan 8.270 nan 0.000 0.440 421 G N -0.728 107.672 108.800 -0.667 0.000 2.422 421 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.218 421 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.218 421 G C 1.318 175.555 174.900 -1.105 0.000 1.140 421 G CA 0.861 45.102 45.100 -1.431 0.000 0.775 421 G HN 0.224 nan 8.290 nan 0.000 0.545 422 V N 1.151 120.700 119.914 -0.608 0.000 2.358 422 V HA -0.114 4.006 4.120 -0.000 0.000 0.246 422 V C 2.949 178.945 176.094 -0.163 0.000 1.047 422 V CA 1.546 63.733 62.300 -0.189 0.000 1.035 422 V CB -0.385 31.407 31.823 -0.052 0.000 0.658 422 V HN 0.220 nan 8.190 nan 0.000 0.452 423 R N 0.240 120.622 120.500 -0.198 0.000 2.075 423 R HA 0.042 4.382 4.340 -0.000 0.000 0.232 423 R C 2.162 178.373 176.300 -0.147 0.000 1.126 423 R CA 1.160 57.163 56.100 -0.163 0.000 0.963 423 R CB -0.995 29.195 30.300 -0.183 0.000 0.858 423 R HN 0.425 nan 8.270 nan 0.000 0.435 424 L N 0.573 121.689 121.223 -0.178 0.000 2.217 424 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 424 L C 1.990 178.809 176.870 -0.085 0.000 1.107 424 L CA 1.095 55.856 54.840 -0.132 0.000 0.783 424 L CB -0.502 41.468 42.059 -0.148 0.000 0.919 424 L HN 0.169 nan 8.230 nan 0.000 0.442 425 T N -1.275 113.228 114.554 -0.086 0.000 2.857 425 T HA -0.102 4.248 4.350 -0.000 0.000 0.266 425 T C 1.742 176.434 174.700 -0.014 0.000 1.048 425 T CA 0.798 62.886 62.100 -0.019 0.000 1.139 425 T CB -0.024 68.865 68.868 0.036 0.000 0.874 425 T HN 0.266 nan 8.240 nan 0.000 0.455 426 E N 1.073 121.256 120.200 -0.028 0.000 2.106 426 E HA 0.033 4.382 4.350 -0.000 0.000 0.192 426 E C 2.196 178.792 176.600 -0.007 0.000 0.984 426 E CA 0.600 56.990 56.400 -0.016 0.000 0.806 426 E CB -0.281 29.404 29.700 -0.024 0.000 0.750 426 E HN 0.430 nan 8.360 nan 0.000 0.458 427 L N 0.372 121.583 121.223 -0.019 0.000 2.291 427 L HA -0.078 4.262 4.340 -0.000 0.000 0.214 427 L C 2.066 178.944 176.870 0.013 0.000 1.120 427 L CA 0.461 55.302 54.840 0.002 0.000 0.799 427 L CB 0.017 42.066 42.059 -0.016 0.000 0.925 427 L HN 0.077 nan 8.230 nan 0.000 0.446 428 L N -0.876 120.349 121.223 0.003 0.000 2.592 428 L HA 0.046 4.386 4.340 -0.000 0.000 0.227 428 L C 0.761 177.636 176.870 0.008 0.000 1.127 428 L CA -0.020 54.826 54.840 0.009 0.000 0.884 428 L CB -0.081 41.982 42.059 0.006 0.000 1.065 428 L HN 0.049 nan 8.230 nan 0.000 0.457 429 K N 1.293 121.696 120.400 0.006 0.000 2.355 429 K HA 0.209 4.529 4.320 -0.000 0.000 0.270 429 K C -0.169 176.433 176.600 0.003 0.000 1.003 429 K CA 0.278 56.564 56.287 -0.002 0.000 0.957 429 K CB 0.736 33.233 32.500 -0.005 0.000 0.939 429 K HN -0.004 nan 8.250 nan 0.000 0.482 430 Q N 0.460 120.255 119.800 -0.009 0.000 2.327 430 Q HA 0.276 4.616 4.340 -0.000 0.000 0.265 430 Q C -0.891 175.093 176.000 -0.027 0.000 0.993 430 Q CA -0.548 55.251 55.803 -0.008 0.000 0.885 430 Q CB 1.782 30.518 28.738 -0.003 0.000 1.379 430 Q HN 0.818 nan 8.270 nan 0.000 0.408 431 G N 1.932 110.718 108.800 -0.022 0.000 2.569 431 G HA2 0.121 4.080 3.960 -0.000 0.000 0.249 431 G HA3 0.121 4.080 3.960 -0.000 0.000 0.249 431 G C -0.483 174.370 174.900 -0.078 0.000 1.216 431 G CA -0.159 44.918 45.100 -0.039 0.000 0.845 431 G HN 0.633 nan 8.290 nan 0.000 0.568 432 Q N -0.877 118.825 119.800 -0.162 0.000 2.382 432 Q HA 0.241 4.581 4.340 -0.000 0.000 0.229 432 Q C -0.132 175.698 176.000 -0.283 0.000 1.006 432 Q CA -0.332 55.235 55.803 -0.393 0.000 0.916 432 Q CB 0.260 28.523 28.738 -0.793 0.000 1.235 432 Q HN 0.623 nan 8.270 nan 0.000 0.512 433 Y N -1.375 118.931 120.300 0.011 0.000 4.851 433 Y HA -0.271 4.279 4.550 -0.000 0.000 0.235 433 Y C 0.091 175.994 175.900 0.005 0.000 0.998 433 Y CA 0.952 59.055 58.100 0.005 0.000 1.980 433 Y CB -1.992 36.468 38.460 -0.001 0.000 1.561 433 Y HN 0.319 nan 8.280 nan 0.000 0.585 434 S N 1.504 117.255 115.700 0.086 0.000 2.130 434 S HA 0.467 4.937 4.470 -0.000 0.000 0.165 434 S C -2.618 172.002 174.600 0.034 0.000 1.677 434 S CA -1.275 56.961 58.200 0.059 0.000 1.227 434 S CB 0.573 63.803 63.200 0.049 0.000 1.115 434 S HN 0.066 nan 8.310 nan 0.000 0.452 435 P HA 0.310 nan 4.420 nan 0.000 0.287 435 P C -0.363 176.950 177.300 0.021 0.000 1.294 435 P CA -0.424 62.695 63.100 0.032 0.000 0.776 435 P CB 0.587 32.316 31.700 0.048 0.000 0.889 436 M N 2.336 121.946 119.600 0.018 0.000 2.240 436 M HA 0.386 4.866 4.480 -0.000 0.000 0.333 436 M C 0.952 177.255 176.300 0.006 0.000 1.110 436 M CA -0.268 55.036 55.300 0.006 0.000 1.173 436 M CB 0.554 33.161 32.600 0.013 0.000 1.458 436 M HN 0.343 nan 8.290 nan 0.000 0.458 437 A N 1.552 124.360 122.820 -0.020 0.000 2.386 437 A HA 0.206 4.526 4.320 -0.000 0.000 0.248 437 A C 0.980 178.571 177.584 0.010 0.000 1.082 437 A CA -0.528 51.493 52.037 -0.027 0.000 0.789 437 A CB 0.037 18.989 19.000 -0.079 0.000 1.025 437 A HN 0.971 nan 8.150 nan 0.000 0.490 438 I N 0.779 121.375 120.570 0.043 0.000 2.185 438 I HA -0.276 3.894 4.170 -0.000 0.000 0.246 438 I C 2.399 178.534 176.117 0.030 0.000 1.088 438 I CA 2.670 64.002 61.300 0.052 0.000 1.347 438 I CB -0.264 37.783 38.000 0.078 0.000 1.041 438 I HN 0.843 nan 8.210 nan 0.000 0.415 439 E N 0.424 120.630 120.200 0.011 0.000 2.150 439 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 439 E C 1.809 178.406 176.600 -0.004 0.000 0.985 439 E CA 1.581 57.980 56.400 -0.002 0.000 0.814 439 E CB -0.738 28.949 29.700 -0.022 0.000 0.752 439 E HN 0.692 nan 8.360 nan 0.000 0.466 440 E N 0.810 121.004 120.200 -0.010 0.000 2.150 440 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 440 E C 2.280 178.902 176.600 0.037 0.000 0.985 440 E CA 0.996 57.391 56.400 -0.008 0.000 0.814 440 E CB -0.018 29.666 29.700 -0.026 0.000 0.752 440 E HN 0.400 nan 8.360 nan 0.000 0.466 441 Q N 0.209 120.034 119.800 0.042 0.000 2.079 441 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 441 Q C 2.300 178.348 176.000 0.080 0.000 0.974 441 Q CA 1.108 56.948 55.803 0.060 0.000 0.840 441 Q CB 0.090 28.857 28.738 0.049 0.000 0.898 441 Q HN 0.141 nan 8.270 nan 0.000 0.430 442 V N 0.854 120.810 119.914 0.070 0.000 2.720 442 V HA -0.233 3.887 4.120 -0.000 0.000 0.256 442 V C 2.045 178.215 176.094 0.126 0.000 1.082 442 V CA 1.615 63.968 62.300 0.088 0.000 1.101 442 V CB -0.738 31.120 31.823 0.059 0.000 0.693 442 V HN 0.367 nan 8.190 nan 0.000 0.479 443 A N 0.505 123.395 122.820 0.117 0.000 1.898 443 A HA -0.067 4.252 4.320 -0.000 0.000 0.214 443 A C 2.299 180.090 177.584 0.345 0.000 1.183 443 A CA 1.696 53.839 52.037 0.177 0.000 0.622 443 A CB -0.437 18.623 19.000 0.100 0.000 0.824 443 A HN 0.542 nan 8.150 nan 0.000 0.444 444 V N -2.330 117.762 119.914 0.298 0.000 2.788 444 V HA -0.036 4.083 4.120 -0.000 0.000 0.251 444 V C 2.004 178.191 176.094 0.154 0.000 1.068 444 V CA 0.952 63.413 62.300 0.269 0.000 1.090 444 V CB -0.792 31.174 31.823 0.239 0.000 0.710 444 V HN 0.354 nan 8.190 nan 0.000 0.467 445 I N -0.172 120.484 120.570 0.143 0.000 2.439 445 I HA -0.123 4.046 4.170 -0.000 0.000 0.251 445 I C 2.486 178.664 176.117 0.102 0.000 1.139 445 I CA 1.592 62.947 61.300 0.091 0.000 1.438 445 I CB -1.430 36.615 38.000 0.075 0.000 1.085 445 I HN 0.425 nan 8.210 nan 0.000 0.427 446 Y N 2.390 122.718 120.300 0.047 0.000 2.114 446 Y HA -0.306 4.244 4.550 -0.000 0.000 0.282 446 Y C 2.668 178.607 175.900 0.064 0.000 1.165 446 Y CA 2.241 60.377 58.100 0.061 0.000 1.148 446 Y CB -0.233 38.285 38.460 0.097 0.000 0.972 446 Y HN 0.135 nan 8.280 nan 0.000 0.504 447 A N -0.188 122.737 122.820 0.175 0.000 1.908 447 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 447 A C 2.448 179.990 177.584 -0.070 0.000 1.181 447 A CA 1.874 53.966 52.037 0.092 0.000 0.627 447 A CB -1.647 17.323 19.000 -0.050 0.000 0.818 447 A HN 0.607 nan 8.150 nan 0.000 0.445 448 G N -0.942 107.797 108.800 -0.102 0.000 2.395 448 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.214 448 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.214 448 G C 1.475 176.258 174.900 -0.194 0.000 1.177 448 G CA 1.054 46.061 45.100 -0.155 0.000 0.794 448 G HN 0.298 nan 8.290 nan 0.000 0.532 449 V N 0.959 120.765 119.914 -0.179 0.000 2.515 449 V HA -0.073 4.046 4.120 -0.000 0.000 0.250 449 V C 2.891 178.811 176.094 -0.290 0.000 1.058 449 V CA 1.394 63.576 62.300 -0.197 0.000 1.064 449 V CB -0.335 31.404 31.823 -0.141 0.000 0.675 449 V HN 0.195 nan 8.190 nan 0.000 0.461 450 R N 0.010 120.254 120.500 -0.427 0.000 2.161 450 R HA 0.172 4.512 4.340 -0.000 0.000 0.213 450 R C 1.649 177.533 176.300 -0.694 0.000 1.055 450 R CA 0.879 56.628 56.100 -0.586 0.000 0.996 450 R CB -0.500 29.329 30.300 -0.785 0.000 0.901 450 R HN 0.599 nan 8.270 nan 0.000 0.456 451 G N 0.552 108.986 108.800 -0.610 0.000 2.173 451 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.174 451 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.174 451 G C -0.219 174.393 174.900 -0.479 0.000 1.025 451 G CA -0.328 44.485 45.100 -0.477 0.000 0.706 451 G HN 0.297 nan 8.290 nan 0.000 0.499 452 Y N -0.249 119.942 120.300 -0.181 0.000 2.495 452 Y HA 0.554 5.104 4.550 -0.000 0.000 0.293 452 Y C 1.980 177.731 175.900 -0.248 0.000 1.186 452 Y CA 0.139 58.140 58.100 -0.165 0.000 1.266 452 Y CB 0.243 38.634 38.460 -0.115 0.000 1.101 452 Y HN 0.359 nan 8.280 nan 0.000 0.517 453 L N -1.193 119.915 121.223 -0.192 0.000 3.217 453 L HA 0.171 4.511 4.340 -0.000 0.000 0.288 453 L C 0.884 177.622 176.870 -0.220 0.000 1.202 453 L CA 0.090 54.754 54.840 -0.293 0.000 1.027 453 L CB 0.533 42.359 42.059 -0.388 0.000 1.427 453 L HN 0.008 nan 8.230 nan 0.000 0.600 454 D N 1.039 121.334 120.400 -0.176 0.000 2.312 454 D HA -0.069 4.571 4.640 -0.000 0.000 0.211 454 D C 1.646 177.881 176.300 -0.108 0.000 0.964 454 D CA 0.989 54.903 54.000 -0.143 0.000 0.877 454 D CB 0.434 41.150 40.800 -0.139 0.000 0.924 454 D HN 0.305 nan 8.370 nan 0.000 0.515 455 K N -0.136 120.205 120.400 -0.098 0.000 2.354 455 K HA 0.079 4.399 4.320 -0.000 0.000 0.194 455 K C 0.660 177.223 176.600 -0.062 0.000 1.045 455 K CA -0.412 55.836 56.287 -0.066 0.000 1.026 455 K CB 0.792 33.266 32.500 -0.043 0.000 0.866 455 K HN -0.000 nan 8.250 nan 0.000 0.530 456 L N 2.420 123.583 121.223 -0.099 0.000 2.426 456 L HA 0.065 4.405 4.340 -0.000 0.000 0.271 456 L C 0.260 177.084 176.870 -0.076 0.000 1.169 456 L CA 0.178 54.962 54.840 -0.094 0.000 0.836 456 L CB 0.589 42.528 42.059 -0.200 0.000 1.112 456 L HN 0.023 nan 8.230 nan 0.000 0.465 457 E N 5.401 125.585 120.200 -0.026 0.000 2.414 457 E HA 0.003 4.353 4.350 -0.000 0.000 0.263 457 E C -1.751 174.833 176.600 -0.028 0.000 1.000 457 E CA -1.188 55.204 56.400 -0.013 0.000 0.914 457 E CB 1.040 30.752 29.700 0.020 0.000 0.948 457 E HN 0.527 nan 8.360 nan 0.000 0.444 458 P HA -0.199 nan 4.420 nan 0.000 0.215 458 P C 1.284 178.577 177.300 -0.012 0.000 1.153 458 P CA 1.605 64.684 63.100 -0.036 0.000 0.853 458 P CB 0.106 31.791 31.700 -0.025 0.000 0.788 459 S N -0.973 114.734 115.700 0.011 0.000 2.447 459 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 459 S C 1.628 176.261 174.600 0.055 0.000 1.006 459 S CA 0.893 59.111 58.200 0.029 0.000 0.957 459 S CB -0.784 62.434 63.200 0.031 0.000 0.773 459 S HN 0.123 nan 8.310 nan 0.000 0.507 460 K N 0.705 121.148 120.400 0.071 0.000 2.393 460 K HA 0.336 4.656 4.320 -0.000 0.000 0.193 460 K C 1.589 178.270 176.600 0.136 0.000 1.026 460 K CA 0.100 56.474 56.287 0.146 0.000 1.064 460 K CB -0.174 32.458 32.500 0.220 0.000 0.833 460 K HN 0.480 nan 8.250 nan 0.000 0.521 461 I N 1.145 121.741 120.570 0.044 0.000 2.286 461 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 461 I C 1.905 178.093 176.117 0.118 0.000 1.115 461 I CA 1.249 62.559 61.300 0.016 0.000 1.392 461 I CB -0.578 37.384 38.000 -0.063 0.000 1.065 461 I HN 0.076 nan 8.210 nan 0.000 0.418 462 T N 0.199 114.814 114.554 0.101 0.000 2.746 462 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 462 T C 1.927 176.716 174.700 0.150 0.000 1.039 462 T CA 1.262 63.425 62.100 0.105 0.000 1.142 462 T CB -0.155 68.756 68.868 0.072 0.000 0.866 462 T HN 0.289 nan 8.240 nan 0.000 0.444 463 K N -0.263 120.256 120.400 0.198 0.000 2.365 463 K HA 0.110 4.430 4.320 -0.000 0.000 0.197 463 K C 1.849 178.662 176.600 0.355 0.000 1.042 463 K CA 0.143 56.587 56.287 0.262 0.000 0.987 463 K CB -0.112 32.560 32.500 0.288 0.000 0.779 463 K HN 0.348 nan 8.250 nan 0.000 0.484 464 F N 2.115 122.113 119.950 0.080 0.000 2.084 464 F HA -0.157 4.370 4.527 -0.000 0.000 0.296 464 F C 2.279 178.115 175.800 0.060 0.000 1.111 464 F CA 1.534 59.439 58.000 -0.158 0.000 1.224 464 F CB -0.104 38.632 39.000 -0.440 0.000 0.991 464 F HN 0.040 nan 8.300 nan 0.000 0.471 465 E N 0.406 120.719 120.200 0.188 0.000 2.049 465 E HA -0.278 4.072 4.350 -0.000 0.000 0.198 465 E C 1.797 178.439 176.600 0.070 0.000 1.007 465 E CA 1.638 58.117 56.400 0.133 0.000 0.809 465 E CB -0.387 29.411 29.700 0.164 0.000 0.749 465 E HN 0.470 nan 8.360 nan 0.000 0.450 466 N N -0.090 118.663 118.700 0.089 0.000 2.396 466 N HA -0.085 4.654 4.740 -0.000 0.000 0.180 466 N C 1.470 177.027 175.510 0.078 0.000 1.028 466 N CA 0.906 54.001 53.050 0.074 0.000 0.893 466 N CB 0.056 38.595 38.487 0.086 0.000 0.967 466 N HN 0.201 nan 8.380 nan 0.000 0.440 467 A N 0.097 122.996 122.820 0.132 0.000 1.935 467 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 467 A C 1.917 179.516 177.584 0.025 0.000 1.178 467 A CA 0.299 52.476 52.037 0.234 0.000 0.640 467 A CB -0.556 18.753 19.000 0.515 0.000 0.825 467 A HN 0.234 nan 8.150 nan 0.000 0.447 468 F N 0.200 119.857 119.950 -0.488 0.000 2.163 468 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 468 F C 1.757 177.271 175.800 -0.477 0.000 1.094 468 F CA 1.433 58.843 58.000 -0.983 0.000 1.290 468 F CB -0.223 38.121 39.000 -1.092 0.000 1.017 468 F HN 0.185 nan 8.300 nan 0.000 0.483 469 L N 0.501 121.551 121.223 -0.288 0.000 2.046 469 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 469 L C 2.601 179.328 176.870 -0.238 0.000 1.077 469 L CA 2.278 56.964 54.840 -0.258 0.000 0.747 469 L CB -1.053 40.962 42.059 -0.074 0.000 0.896 469 L HN 0.310 nan 8.230 nan 0.000 0.432 470 S N -2.681 112.934 115.700 -0.142 0.000 2.515 470 S HA -0.199 4.271 4.470 -0.000 0.000 0.231 470 S C 1.910 176.458 174.600 -0.087 0.000 0.987 470 S CA 0.914 59.064 58.200 -0.084 0.000 0.936 470 S CB -0.778 62.417 63.200 -0.009 0.000 0.766 470 S HN 0.738 nan 8.310 nan 0.000 0.528 471 H N 1.681 120.582 119.070 -0.281 0.000 2.399 471 H HA 0.158 4.714 4.556 -0.000 0.000 0.300 471 H C 1.981 177.159 175.328 -0.250 0.000 1.048 471 H CA 1.582 57.479 56.048 -0.251 0.000 1.370 471 H CB -0.064 29.448 29.762 -0.416 0.000 1.428 471 H HN 0.288 nan 8.280 nan 0.000 0.534 472 V N -0.846 118.796 119.914 -0.453 0.000 2.719 472 V HA -0.038 4.082 4.120 -0.000 0.000 0.252 472 V C 2.099 178.038 176.094 -0.257 0.000 1.065 472 V CA 1.552 63.613 62.300 -0.398 0.000 1.086 472 V CB -0.622 30.834 31.823 -0.611 0.000 0.700 472 V HN 0.405 nan 8.190 nan 0.000 0.467 473 I N 0.988 121.415 120.570 -0.239 0.000 2.761 473 I HA -0.088 4.082 4.170 -0.000 0.000 0.261 473 I C 2.728 178.750 176.117 -0.159 0.000 1.198 473 I CA 1.348 62.547 61.300 -0.168 0.000 1.482 473 I CB -0.285 37.634 38.000 -0.135 0.000 1.100 473 I HN 0.402 nan 8.210 nan 0.000 0.445 474 S N 0.919 116.505 115.700 -0.190 0.000 2.325 474 S HA -0.154 4.316 4.470 -0.000 0.000 0.213 474 S C 1.863 176.329 174.600 -0.223 0.000 1.031 474 S CA 1.458 59.549 58.200 -0.181 0.000 0.984 474 S CB 0.033 63.133 63.200 -0.167 0.000 0.939 474 S HN 0.464 nan 8.310 nan 0.000 0.438 475 Q N -1.508 118.084 119.800 -0.345 0.000 2.214 475 Q HA 0.231 4.570 4.340 -0.000 0.000 0.229 475 Q C -0.084 175.580 176.000 -0.560 0.000 0.835 475 Q CA 0.097 55.635 55.803 -0.443 0.000 0.953 475 Q CB 0.640 29.055 28.738 -0.539 0.000 1.131 475 Q HN 0.646 nan 8.270 nan 0.000 0.501 476 H N -0.035 118.883 119.070 -0.252 0.000 2.490 476 H HA 0.181 4.737 4.556 -0.000 0.000 0.285 476 H C 0.999 176.230 175.328 -0.161 0.000 1.127 476 H CA -0.226 55.705 56.048 -0.195 0.000 0.993 476 H CB 0.632 30.264 29.762 -0.217 0.000 1.653 476 H HN 0.034 nan 8.280 nan 0.000 0.557 477 Q N 0.581 120.329 119.800 -0.087 0.000 2.181 477 Q HA -0.124 4.215 4.340 -0.000 0.000 0.205 477 Q C 2.293 178.259 176.000 -0.057 0.000 0.980 477 Q CA 1.192 56.948 55.803 -0.079 0.000 0.862 477 Q CB -0.034 28.650 28.738 -0.090 0.000 0.905 477 Q HN 0.638 nan 8.270 nan 0.000 0.429 478 A N 0.642 123.434 122.820 -0.047 0.000 1.972 478 A HA -0.139 4.180 4.320 -0.000 0.000 0.219 478 A C 2.109 179.677 177.584 -0.027 0.000 1.169 478 A CA 0.873 52.889 52.037 -0.034 0.000 0.635 478 A CB -0.533 18.450 19.000 -0.029 0.000 0.810 478 A HN 0.331 nan 8.150 nan 0.000 0.446 479 L N -0.736 120.475 121.223 -0.019 0.000 2.007 479 L HA -0.076 4.264 4.340 -0.000 0.000 0.205 479 L C 2.498 179.338 176.870 -0.051 0.000 1.073 479 L CA 1.233 56.052 54.840 -0.036 0.000 0.744 479 L CB -0.355 41.676 42.059 -0.047 0.000 0.898 479 L HN 0.397 nan 8.230 nan 0.000 0.435 480 L N -0.542 120.646 121.223 -0.060 0.000 2.127 480 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 480 L C 2.546 179.385 176.870 -0.052 0.000 1.089 480 L CA 1.257 56.059 54.840 -0.063 0.000 0.757 480 L CB -1.086 40.926 42.059 -0.078 0.000 0.899 480 L HN 0.374 nan 8.230 nan 0.000 0.434 481 G N -0.335 108.436 108.800 -0.049 0.000 2.408 481 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.217 481 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.217 481 G C 1.722 176.601 174.900 -0.034 0.000 1.150 481 G CA 0.596 45.670 45.100 -0.043 0.000 0.776 481 G HN 0.269 nan 8.290 nan 0.000 0.542 482 K N -0.053 120.328 120.400 -0.032 0.000 2.062 482 K HA 0.099 4.418 4.320 -0.000 0.000 0.205 482 K C 2.465 179.051 176.600 -0.023 0.000 1.051 482 K CA 0.622 56.894 56.287 -0.025 0.000 0.941 482 K CB -0.181 32.304 32.500 -0.025 0.000 0.719 482 K HN 0.363 nan 8.250 nan 0.000 0.440 483 I N 0.424 120.977 120.570 -0.028 0.000 2.315 483 I HA -0.229 3.941 4.170 -0.000 0.000 0.248 483 I C 2.657 178.767 176.117 -0.012 0.000 1.117 483 I CA 0.902 62.188 61.300 -0.022 0.000 1.404 483 I CB -0.236 37.745 38.000 -0.031 0.000 1.071 483 I HN 0.166 nan 8.210 nan 0.000 0.419 484 R N 0.732 121.222 120.500 -0.016 0.000 2.073 484 R HA -0.115 4.224 4.340 -0.000 0.000 0.229 484 R C 2.231 178.529 176.300 -0.003 0.000 1.120 484 R CA 1.849 57.944 56.100 -0.009 0.000 0.967 484 R CB -0.190 30.097 30.300 -0.023 0.000 0.862 484 R HN 0.255 nan 8.270 nan 0.000 0.436 485 T N 0.835 115.383 114.554 -0.010 0.000 2.777 485 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 485 T C 0.903 175.602 174.700 -0.002 0.000 1.040 485 T CA 1.572 63.668 62.100 -0.006 0.000 1.141 485 T CB -0.181 68.680 68.868 -0.011 0.000 0.868 485 T HN 0.323 nan 8.240 nan 0.000 0.444 486 D N 0.412 120.810 120.400 -0.003 0.000 2.213 486 D HA 0.194 4.834 4.640 -0.000 0.000 0.205 486 D C 1.656 177.958 176.300 0.003 0.000 0.961 486 D CA 0.999 54.999 54.000 -0.000 0.000 0.853 486 D CB -0.500 40.299 40.800 -0.002 0.000 0.967 486 D HN 0.452 nan 8.370 nan 0.000 0.496 487 G N 0.957 109.760 108.800 0.005 0.000 2.176 487 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.252 487 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.252 487 G C 0.189 175.096 174.900 0.011 0.000 1.024 487 G CA 0.661 45.767 45.100 0.009 0.000 0.755 487 G HN 0.547 nan 8.290 nan 0.000 0.507 488 K N -0.509 119.897 120.400 0.009 0.000 2.583 488 K HA 0.476 4.796 4.320 -0.000 0.000 0.260 488 K C -0.659 175.947 176.600 0.011 0.000 0.931 488 K CA -1.244 55.051 56.287 0.014 0.000 0.849 488 K CB 0.934 33.441 32.500 0.013 0.000 1.347 488 K HN 0.116 nan 8.250 nan 0.000 0.425 489 I N 4.422 125.004 120.570 0.020 0.000 2.421 489 I HA 0.036 4.206 4.170 -0.000 0.000 0.291 489 I C 0.602 176.731 176.117 0.020 0.000 1.089 489 I CA -0.093 61.216 61.300 0.014 0.000 1.354 489 I CB 0.924 38.948 38.000 0.039 0.000 1.413 489 I HN 0.678 nan 8.210 nan 0.000 0.513 490 S N 3.682 119.386 115.700 0.007 0.000 2.645 490 S HA 0.235 4.705 4.470 -0.000 0.000 0.266 490 S C 0.967 175.578 174.600 0.017 0.000 1.258 490 S CA -0.705 57.502 58.200 0.011 0.000 0.990 490 S CB 1.623 64.826 63.200 0.004 0.000 0.967 490 S HN 0.576 nan 8.310 nan 0.000 0.556 491 E N 0.838 121.050 120.200 0.021 0.000 2.108 491 E HA -0.219 4.131 4.350 -0.000 0.000 0.203 491 E C 1.866 178.479 176.600 0.022 0.000 1.022 491 E CA 2.073 58.489 56.400 0.027 0.000 0.823 491 E CB -0.242 29.472 29.700 0.023 0.000 0.744 491 E HN 0.863 nan 8.360 nan 0.000 0.456 492 E N -0.453 119.753 120.200 0.011 0.000 2.106 492 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 492 E C 1.920 178.514 176.600 -0.010 0.000 0.984 492 E CA 1.165 57.567 56.400 0.004 0.000 0.806 492 E CB 0.074 29.774 29.700 0.001 0.000 0.750 492 E HN 0.129 nan 8.360 nan 0.000 0.458 493 S N 0.915 116.603 115.700 -0.020 0.000 2.368 493 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 493 S C 1.620 176.169 174.600 -0.085 0.000 1.030 493 S CA 1.207 59.375 58.200 -0.054 0.000 0.999 493 S CB -0.341 62.828 63.200 -0.053 0.000 0.844 493 S HN 0.380 nan 8.310 nan 0.000 0.459 494 D N 1.590 121.974 120.400 -0.027 0.000 2.104 494 D HA -0.114 4.526 4.640 -0.000 0.000 0.194 494 D C 2.095 178.424 176.300 0.049 0.000 0.994 494 D CA 1.412 55.432 54.000 0.034 0.000 0.830 494 D CB -0.192 40.678 40.800 0.117 0.000 0.959 494 D HN 0.346 nan 8.370 nan 0.000 0.452 495 A N 0.487 123.329 122.820 0.038 0.000 1.933 495 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 495 A C 2.177 179.766 177.584 0.009 0.000 1.175 495 A CA 1.928 53.988 52.037 0.038 0.000 0.628 495 A CB -0.398 18.620 19.000 0.031 0.000 0.814 495 A HN 0.153 nan 8.150 nan 0.000 0.444 496 K N -0.192 120.193 120.400 -0.024 0.000 2.031 496 K HA 0.087 4.407 4.320 -0.000 0.000 0.205 496 K C 1.760 178.305 176.600 -0.092 0.000 1.049 496 K CA 1.135 57.395 56.287 -0.045 0.000 0.939 496 K CB -0.508 31.964 32.500 -0.046 0.000 0.717 496 K HN 0.420 nan 8.250 nan 0.000 0.438 497 L N 0.719 121.845 121.223 -0.163 0.000 2.079 497 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 497 L C 2.464 179.282 176.870 -0.086 0.000 1.081 497 L CA 1.492 56.174 54.840 -0.264 0.000 0.752 497 L CB -0.346 41.253 42.059 -0.767 0.000 0.896 497 L HN 0.221 nan 8.230 nan 0.000 0.433 498 K N 0.006 120.424 120.400 0.030 0.000 2.103 498 K HA -0.257 4.063 4.320 -0.000 0.000 0.207 498 K C 2.061 178.607 176.600 -0.089 0.000 1.048 498 K CA 1.701 58.023 56.287 0.057 0.000 0.930 498 K CB 0.029 32.615 32.500 0.144 0.000 0.716 498 K HN 0.299 nan 8.250 nan 0.000 0.444 499 E N 0.300 120.475 120.200 -0.042 0.000 2.033 499 E HA -0.129 4.221 4.350 -0.000 0.000 0.189 499 E C 2.008 178.592 176.600 -0.025 0.000 0.979 499 E CA 1.034 57.416 56.400 -0.029 0.000 0.802 499 E CB -0.018 29.685 29.700 0.004 0.000 0.763 499 E HN 0.302 nan 8.360 nan 0.000 0.449 500 I N 1.279 121.826 120.570 -0.039 0.000 2.163 500 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 500 I C 2.631 178.810 176.117 0.104 0.000 1.085 500 I CA 1.255 62.547 61.300 -0.012 0.000 1.347 500 I CB -0.558 37.309 38.000 -0.222 0.000 1.044 500 I HN 0.153 nan 8.210 nan 0.000 0.408 501 V N -0.909 119.040 119.914 0.057 0.000 2.343 501 V HA -0.231 3.889 4.120 -0.000 0.000 0.247 501 V C 2.536 178.642 176.094 0.019 0.000 1.051 501 V CA 2.267 64.601 62.300 0.057 0.000 1.036 501 V CB -1.913 29.844 31.823 -0.109 0.000 0.654 501 V HN 0.600 nan 8.190 nan 0.000 0.451 502 T N -1.942 112.536 114.554 -0.126 0.000 2.857 502 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 502 T C 1.860 176.580 174.700 0.034 0.000 1.048 502 T CA 1.426 63.482 62.100 -0.073 0.000 1.139 502 T CB -0.739 68.058 68.868 -0.120 0.000 0.874 502 T HN 0.444 nan 8.240 nan 0.000 0.455 503 N N 0.704 119.440 118.700 0.059 0.000 2.166 503 N HA 0.031 4.770 4.740 -0.000 0.000 0.186 503 N C 1.301 176.881 175.510 0.116 0.000 1.019 503 N CA 0.842 53.945 53.050 0.088 0.000 0.856 503 N CB -0.545 38.009 38.487 0.111 0.000 0.993 503 N HN 0.453 nan 8.380 nan 0.000 0.426 504 F N 1.044 121.002 119.950 0.014 0.000 2.367 504 F HA 0.137 4.664 4.527 -0.000 0.000 0.298 504 F C 2.129 178.007 175.800 0.130 0.000 1.094 504 F CA 0.244 58.249 58.000 0.009 0.000 1.409 504 F CB -0.039 38.953 39.000 -0.012 0.000 1.064 504 F HN -0.035 nan 8.300 nan 0.000 0.528 505 L N -0.532 120.831 121.223 0.234 0.000 2.093 505 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 505 L C 2.469 179.407 176.870 0.113 0.000 1.085 505 L CA 1.405 56.361 54.840 0.192 0.000 0.755 505 L CB -0.524 41.607 42.059 0.120 0.000 0.904 505 L HN 0.181 nan 8.230 nan 0.000 0.435 506 A N -0.673 122.182 122.820 0.059 0.000 1.968 506 A HA -0.050 4.269 4.320 -0.000 0.000 0.217 506 A C 2.113 179.692 177.584 -0.009 0.000 1.169 506 A CA 1.251 53.306 52.037 0.029 0.000 0.638 506 A CB -0.910 18.103 19.000 0.022 0.000 0.812 506 A HN 0.489 nan 8.150 nan 0.000 0.446 507 G N -2.581 106.175 108.800 -0.074 0.000 2.920 507 G HA2 0.110 4.070 3.960 -0.000 0.000 0.208 507 G HA3 0.110 4.070 3.960 -0.000 0.000 0.208 507 G C 1.083 175.865 174.900 -0.196 0.000 1.159 507 G CA 0.616 45.624 45.100 -0.154 0.000 0.784 507 G HN 0.431 nan 8.290 nan 0.000 0.535 508 F N 0.453 120.236 119.950 -0.279 0.000 2.343 508 F HA 0.308 4.834 4.527 -0.000 0.000 0.286 508 F C 1.927 177.679 175.800 -0.080 0.000 1.057 508 F CA 0.507 58.386 58.000 -0.202 0.000 1.365 508 F CB 0.606 39.552 39.000 -0.089 0.000 1.114 508 F HN 0.089 nan 8.300 nan 0.000 0.545 509 E N 1.147 121.434 120.200 0.145 0.000 2.304 509 E HA 0.303 4.653 4.350 -0.000 0.000 0.212 509 E C -0.232 176.367 176.600 -0.003 0.000 1.185 509 E CA -0.351 56.090 56.400 0.069 0.000 1.326 509 E CB 0.058 29.827 29.700 0.116 0.000 1.283 509 E HN 0.300 nan 8.360 nan 0.000 0.440 510 A N 0.000 122.790 122.820 -0.050 0.000 2.254 510 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 510 A CA 0.000 52.007 52.037 -0.050 0.000 0.836 510 A CB 0.000 18.970 19.000 -0.051 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486