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 1efr_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 0.000 177.586 177.584 0.004 0.000 1.274 19 A CA 0.000 52.039 52.037 0.003 0.000 0.836 19 A CB 0.000 19.002 19.000 0.003 0.000 0.831 20 D N 2.974 123.377 120.400 0.004 0.000 2.368 20 D HA 0.185 4.825 4.640 0.000 0.000 0.268 20 D C 1.162 177.465 176.300 0.005 0.000 1.298 20 D CA 1.438 55.441 54.000 0.005 0.000 0.938 20 D CB 0.678 41.481 40.800 0.005 0.000 1.101 20 D HN 0.572 nan 8.370 nan 0.000 0.509 21 T N -0.215 114.342 114.554 0.004 0.000 3.269 21 T HA 0.111 4.461 4.350 0.000 0.000 0.269 21 T C 1.301 176.003 174.700 0.003 0.000 0.993 21 T CA -0.111 61.992 62.100 0.004 0.000 0.909 21 T CB -0.217 68.653 68.868 0.003 0.000 1.115 21 T HN 0.176 nan 8.240 nan 0.000 0.543 22 S N 0.194 115.896 115.700 0.004 0.000 2.478 22 S HA 0.121 4.591 4.470 0.000 0.000 0.222 22 S C 0.944 175.545 174.600 0.002 0.000 1.008 22 S CA -0.098 58.103 58.200 0.002 0.000 0.928 22 S CB -0.184 63.018 63.200 0.003 0.000 0.781 22 S HN 0.360 nan 8.310 nan 0.000 0.518 23 V N 4.203 124.120 119.914 0.005 0.000 2.852 23 V HA 0.216 4.337 4.120 0.000 0.000 0.359 23 V C -0.416 175.684 176.094 0.010 0.000 1.244 23 V CA -0.834 61.470 62.300 0.007 0.000 1.371 23 V CB -0.632 31.198 31.823 0.011 0.000 1.491 23 V HN 0.519 nan 8.190 nan 0.000 0.603 24 D N 0.277 120.681 120.400 0.005 0.000 2.362 24 D HA 0.067 4.707 4.640 0.000 0.000 0.242 24 D C 0.923 177.226 176.300 0.005 0.000 1.132 24 D CA -0.511 53.493 54.000 0.007 0.000 0.907 24 D CB 1.641 42.441 40.800 0.001 0.000 1.195 24 D HN 0.206 nan 8.370 nan 0.000 0.429 25 L N 0.389 121.617 121.223 0.008 0.000 2.693 25 L HA 0.013 4.353 4.340 0.000 0.000 0.242 25 L C 1.522 178.375 176.870 -0.029 0.000 1.157 25 L CA 0.386 55.224 54.840 -0.004 0.000 0.929 25 L CB -0.521 41.540 42.059 0.003 0.000 1.103 25 L HN 0.439 nan 8.230 nan 0.000 0.430 26 E N -0.285 119.902 120.200 -0.022 0.000 2.201 26 E HA -0.022 4.328 4.350 0.000 0.000 0.193 26 E C 1.131 177.713 176.600 -0.029 0.000 0.957 26 E CA 0.345 56.728 56.400 -0.028 0.000 0.858 26 E CB 0.492 30.180 29.700 -0.020 0.000 0.816 26 E HN 0.346 nan 8.360 nan 0.000 0.475 27 E N 0.493 120.678 120.200 -0.025 0.000 2.526 27 E HA 0.067 4.417 4.350 0.000 0.000 0.208 27 E C 0.369 176.948 176.600 -0.035 0.000 0.997 27 E CA 0.334 56.717 56.400 -0.028 0.000 0.961 27 E CB 1.377 31.064 29.700 -0.021 0.000 1.030 27 E HN 0.194 nan 8.360 nan 0.000 0.483 28 T N -2.634 111.900 114.554 -0.033 0.000 2.838 28 T HA 0.799 5.149 4.350 0.000 0.000 0.292 28 T C 0.156 174.838 174.700 -0.030 0.000 1.113 28 T CA -0.601 61.477 62.100 -0.036 0.000 1.008 28 T CB 2.582 71.438 68.868 -0.021 0.000 1.259 28 T HN 0.001 nan 8.240 nan 0.000 0.520 29 G N -0.140 108.646 108.800 -0.024 0.000 2.608 29 G HA2 0.658 4.618 3.960 0.000 0.000 0.291 29 G HA3 0.658 4.618 3.960 0.000 0.000 0.291 29 G C -1.927 172.996 174.900 0.039 0.000 1.425 29 G CA -1.108 43.998 45.100 0.010 0.000 0.787 29 G HN 0.786 nan 8.290 nan 0.000 0.484 30 R N -0.267 120.292 120.500 0.099 0.000 2.561 30 R HA 0.516 4.856 4.340 0.000 0.000 0.297 30 R C -0.569 175.797 176.300 0.109 0.000 0.969 30 R CA -0.766 55.388 56.100 0.090 0.000 0.879 30 R CB 2.636 32.978 30.300 0.070 0.000 1.178 30 R HN 0.358 nan 8.270 nan 0.000 0.445 31 V N 5.380 125.363 119.914 0.115 0.000 2.539 31 V HA -0.098 4.022 4.120 0.000 0.000 0.300 31 V C 1.524 177.665 176.094 0.079 0.000 1.019 31 V CA 0.768 63.144 62.300 0.127 0.000 1.160 31 V CB 0.210 32.124 31.823 0.151 0.000 0.901 31 V HN 0.755 nan 8.190 nan 0.000 0.481 32 L N 4.068 125.337 121.223 0.077 0.000 2.127 32 L HA 0.118 4.458 4.340 0.000 0.000 0.203 32 L C 0.909 177.795 176.870 0.028 0.000 1.080 32 L CA 1.041 55.907 54.840 0.043 0.000 0.768 32 L CB 0.093 42.186 42.059 0.057 0.000 0.924 32 L HN 0.880 nan 8.230 nan 0.000 0.444 33 S N -1.179 114.541 115.700 0.034 0.000 2.565 33 S HA 0.596 5.066 4.470 0.000 0.000 0.274 33 S C -1.137 173.470 174.600 0.011 0.000 1.144 33 S CA -0.886 57.323 58.200 0.016 0.000 0.849 33 S CB 2.313 65.518 63.200 0.008 0.000 1.103 33 S HN 0.014 nan 8.310 nan 0.000 0.455 34 I N 0.093 120.658 120.570 -0.009 0.000 2.722 34 I HA 0.930 5.100 4.170 0.000 0.000 0.295 34 I C -0.445 175.649 176.117 -0.040 0.000 1.161 34 I CA 0.354 61.634 61.300 -0.033 0.000 1.032 34 I CB 1.720 39.685 38.000 -0.058 0.000 1.244 34 I HN 1.474 nan 8.210 nan 0.000 0.421 35 G N 4.159 112.930 108.800 -0.049 0.000 2.473 35 G HA2 0.399 4.359 3.960 0.000 0.000 0.298 35 G HA3 0.399 4.359 3.960 0.000 0.000 0.298 35 G C -1.206 173.665 174.900 -0.049 0.000 1.575 35 G CA -0.376 44.697 45.100 -0.045 0.000 0.846 35 G HN 0.759 nan 8.290 nan 0.000 0.585 36 D N -0.413 119.959 120.400 -0.046 0.000 2.811 36 D HA -0.180 4.460 4.640 0.000 0.000 0.231 36 D C 1.696 177.963 176.300 -0.054 0.000 1.157 36 D CA 2.954 56.928 54.000 -0.044 0.000 0.716 36 D CB -1.128 39.648 40.800 -0.039 0.000 1.077 36 D HN 2.273 nan 8.370 nan 0.000 0.428 37 G N -1.214 107.543 108.800 -0.071 0.000 2.162 37 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 37 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 37 G C 0.160 175.000 174.900 -0.100 0.000 0.976 37 G CA 0.359 45.404 45.100 -0.091 0.000 0.655 37 G HN 0.454 nan 8.290 nan 0.000 0.533 38 I N 1.127 121.650 120.570 -0.079 0.000 2.362 38 I HA 0.711 4.881 4.170 0.000 0.000 0.289 38 I C 0.559 176.651 176.117 -0.040 0.000 0.994 38 I CA -1.380 59.883 61.300 -0.061 0.000 1.158 38 I CB 0.972 38.943 38.000 -0.049 0.000 1.315 38 I HN 0.335 nan 8.210 nan 0.000 0.451 39 A N 7.621 130.438 122.820 -0.005 0.000 2.305 39 A HA 0.694 5.014 4.320 0.000 0.000 0.322 39 A C 0.128 177.756 177.584 0.073 0.000 1.187 39 A CA -0.693 51.376 52.037 0.053 0.000 0.825 39 A CB 0.833 19.939 19.000 0.178 0.000 1.164 39 A HN 0.567 nan 8.150 nan 0.000 0.498 40 R N 2.674 123.213 120.500 0.065 0.000 2.666 40 R HA 0.281 4.621 4.340 0.000 0.000 0.275 40 R C -0.759 175.591 176.300 0.083 0.000 1.266 40 R CA -0.243 55.892 56.100 0.058 0.000 1.401 40 R CB 0.434 30.757 30.300 0.039 0.000 1.145 40 R HN 0.539 nan 8.270 nan 0.000 0.581 41 V N 2.497 122.465 119.914 0.089 0.000 2.655 41 V HA -0.006 4.114 4.120 0.000 0.000 0.300 41 V C 0.662 176.810 176.094 0.090 0.000 1.044 41 V CA -0.183 62.171 62.300 0.090 0.000 1.095 41 V CB 0.450 32.300 31.823 0.045 0.000 0.952 41 V HN 0.558 nan 8.190 nan 0.000 0.485 42 H N 2.527 121.604 119.070 0.011 0.000 2.483 42 H HA 0.671 5.227 4.556 0.000 0.000 0.338 42 H C 0.535 175.860 175.328 -0.005 0.000 1.152 42 H CA 0.916 56.966 56.048 0.004 0.000 1.264 42 H CB 1.356 31.122 29.762 0.007 0.000 1.510 42 H HN 1.013 nan 8.280 nan 0.000 0.530 43 G N 2.380 110.862 108.800 -0.529 0.000 2.545 43 G HA2 -0.261 3.699 3.960 0.000 0.000 0.240 43 G HA3 -0.261 3.699 3.960 0.000 0.000 0.240 43 G C 0.055 174.864 174.900 -0.151 0.000 1.172 43 G CA -0.303 44.642 45.100 -0.259 0.000 0.949 43 G HN 1.185 nan 8.290 nan 0.000 0.574 44 L N -0.121 121.050 121.223 -0.086 0.000 3.851 44 L HA -0.235 4.105 4.340 0.000 0.000 0.438 44 L C 2.304 179.133 176.870 -0.068 0.000 1.171 44 L CA 0.827 55.625 54.840 -0.071 0.000 0.895 44 L CB -0.698 41.319 42.059 -0.069 0.000 1.800 44 L HN 0.601 nan 8.230 nan 0.000 0.960 45 R N 0.461 120.918 120.500 -0.072 0.000 2.170 45 R HA -0.101 4.239 4.340 0.000 0.000 0.242 45 R C 1.334 177.609 176.300 -0.042 0.000 1.145 45 R CA 1.398 57.461 56.100 -0.062 0.000 0.984 45 R CB -0.367 29.896 30.300 -0.060 0.000 0.869 45 R HN 0.606 nan 8.270 nan 0.000 0.455 46 N N 0.171 118.849 118.700 -0.036 0.000 2.214 46 N HA 0.026 4.766 4.740 0.000 0.000 0.214 46 N C -0.046 175.449 175.510 -0.024 0.000 1.132 46 N CA 0.019 53.053 53.050 -0.026 0.000 0.856 46 N CB 0.701 39.176 38.487 -0.021 0.000 1.020 46 N HN -0.023 nan 8.380 nan 0.000 0.509 47 V N -0.183 119.714 119.914 -0.029 0.000 2.811 47 V HA 0.183 4.303 4.120 0.000 0.000 0.302 47 V C 0.346 176.432 176.094 -0.015 0.000 1.063 47 V CA -0.705 61.580 62.300 -0.024 0.000 1.088 47 V CB 0.550 32.355 31.823 -0.030 0.000 0.982 47 V HN 0.066 nan 8.190 nan 0.000 0.485 48 Q N 2.414 122.210 119.800 -0.007 0.000 2.226 48 Q HA 0.723 5.064 4.340 0.000 0.000 0.256 48 Q C 0.026 176.029 176.000 0.005 0.000 0.962 48 Q CA -0.622 55.181 55.803 -0.000 0.000 0.887 48 Q CB 1.602 30.342 28.738 0.004 0.000 1.282 48 Q HN 1.080 nan 8.270 nan 0.000 0.449 49 A N 1.731 124.556 122.820 0.009 0.000 2.540 49 A HA 0.035 4.355 4.320 0.000 0.000 0.239 49 A C 0.221 177.819 177.584 0.023 0.000 1.061 49 A CA 0.312 52.358 52.037 0.015 0.000 0.758 49 A CB -0.259 18.751 19.000 0.018 0.000 0.991 49 A HN 0.980 nan 8.150 nan 0.000 0.502 50 E N -0.897 119.321 120.200 0.031 0.000 3.763 50 E HA -0.189 4.161 4.350 0.000 0.000 0.319 50 E C 0.165 176.798 176.600 0.055 0.000 0.804 50 E CA 1.223 57.652 56.400 0.047 0.000 1.196 50 E CB -1.268 28.455 29.700 0.038 0.000 1.607 50 E HN 0.910 nan 8.360 nan 0.000 0.431 51 E N 0.645 120.869 120.200 0.041 0.000 2.313 51 E HA 0.392 4.742 4.350 0.000 0.000 0.272 51 E C -0.232 176.402 176.600 0.057 0.000 1.038 51 E CA -0.441 55.983 56.400 0.040 0.000 0.863 51 E CB 0.919 30.629 29.700 0.017 0.000 1.060 51 E HN 0.116 nan 8.360 nan 0.000 0.402 52 M N 4.905 124.548 119.600 0.070 0.000 2.180 52 M HA 0.219 4.699 4.480 0.000 0.000 0.358 52 M C -0.731 175.590 176.300 0.035 0.000 1.233 52 M CA -0.455 54.903 55.300 0.098 0.000 1.114 52 M CB 0.876 33.559 32.600 0.138 0.000 1.594 52 M HN 0.423 nan 8.290 nan 0.000 0.467 53 V N 1.723 121.642 119.914 0.008 0.000 3.204 53 V HA 0.743 4.863 4.120 0.000 0.000 0.316 53 V C -1.022 175.009 176.094 -0.106 0.000 1.160 53 V CA -0.746 61.496 62.300 -0.097 0.000 1.044 53 V CB 2.016 33.715 31.823 -0.207 0.000 1.136 53 V HN 0.891 nan 8.190 nan 0.000 0.455 54 E N 0.188 120.265 120.200 -0.205 0.000 2.272 54 E HA 0.568 4.918 4.350 0.000 0.000 0.269 54 E C -1.874 174.554 176.600 -0.286 0.000 0.877 54 E CA -0.411 55.914 56.400 -0.125 0.000 0.755 54 E CB 2.522 32.207 29.700 -0.024 0.000 1.192 54 E HN 0.581 nan 8.360 nan 0.000 0.422 55 F N 0.792 120.762 119.950 0.033 0.000 2.399 55 F HA 0.118 4.645 4.527 0.000 0.000 0.328 55 F C 1.755 177.570 175.800 0.025 0.000 1.084 55 F CA -0.213 57.803 58.000 0.025 0.000 1.053 55 F CB 1.467 40.480 39.000 0.023 0.000 1.209 55 F HN 0.471 nan 8.300 nan 0.000 0.502 56 S N -0.003 115.819 115.700 0.203 0.000 2.381 56 S HA -0.265 4.205 4.470 0.000 0.000 0.230 56 S C 1.743 176.410 174.600 0.112 0.000 1.052 56 S CA 1.829 60.100 58.200 0.118 0.000 1.068 56 S CB -0.880 62.380 63.200 0.099 0.000 0.918 56 S HN 0.690 nan 8.310 nan 0.000 0.448 57 S N 1.102 116.883 115.700 0.136 0.000 2.711 57 S HA 0.329 4.799 4.470 0.000 0.000 0.237 57 S C 1.560 176.223 174.600 0.105 0.000 0.971 57 S CA 0.466 58.725 58.200 0.099 0.000 0.964 57 S CB -0.933 62.312 63.200 0.074 0.000 0.775 57 S HN 1.030 nan 8.310 nan 0.000 0.540 58 G N 0.124 108.997 108.800 0.121 0.000 2.189 58 G HA2 -0.279 3.681 3.960 0.000 0.000 0.267 58 G HA3 -0.279 3.681 3.960 0.000 0.000 0.267 58 G C -0.072 174.914 174.900 0.143 0.000 0.975 58 G CA 0.285 45.450 45.100 0.108 0.000 0.644 58 G HN 0.541 nan 8.290 nan 0.000 0.537 59 L N 1.131 122.471 121.223 0.195 0.000 2.361 59 L HA 0.543 4.883 4.340 0.000 0.000 0.278 59 L C 0.729 177.831 176.870 0.385 0.000 1.113 59 L CA -0.030 54.945 54.840 0.225 0.000 0.849 59 L CB 0.656 42.788 42.059 0.122 0.000 1.155 59 L HN 0.202 nan 8.230 nan 0.000 0.452 60 K N 2.321 122.920 120.400 0.331 0.000 2.185 60 K HA 0.653 4.973 4.320 0.000 0.000 0.271 60 K C 0.205 177.075 176.600 0.450 0.000 1.013 60 K CA -0.058 56.456 56.287 0.378 0.000 0.943 60 K CB 1.100 33.807 32.500 0.345 0.000 0.998 60 K HN 0.813 nan 8.250 nan 0.000 0.468 61 G N 0.970 109.986 108.800 0.360 0.000 3.176 61 G HA2 0.703 4.663 3.960 0.000 0.000 0.272 61 G HA3 0.703 4.663 3.960 0.000 0.000 0.272 61 G C -1.592 173.323 174.900 0.025 0.000 1.349 61 G CA -0.680 44.510 45.100 0.150 0.000 0.953 61 G HN 0.526 nan 8.290 nan 0.000 0.559 62 M N 0.549 120.081 119.600 -0.114 0.000 2.255 62 M HA 0.418 4.898 4.480 0.000 0.000 0.275 62 M C -0.956 175.335 176.300 -0.016 0.000 1.050 62 M CA -0.456 54.842 55.300 -0.003 0.000 0.978 62 M CB 2.077 34.715 32.600 0.063 0.000 1.761 62 M HN 0.420 nan 8.290 nan 0.000 0.479 63 S N 4.170 119.880 115.700 0.016 0.000 2.686 63 S HA 0.179 4.649 4.470 0.000 0.000 0.324 63 S C 0.762 175.368 174.600 0.011 0.000 1.172 63 S CA -0.378 57.825 58.200 0.005 0.000 1.127 63 S CB -0.075 63.126 63.200 0.001 0.000 1.338 63 S HN 0.599 nan 8.310 nan 0.000 0.547 64 L N 3.685 124.908 121.223 0.000 0.000 2.221 64 L HA 0.328 4.668 4.340 0.000 0.000 0.202 64 L C 0.543 177.418 176.870 0.007 0.000 1.074 64 L CA 1.149 55.992 54.840 0.006 0.000 0.795 64 L CB -0.610 41.443 42.059 -0.010 0.000 0.960 64 L HN 0.361 nan 8.230 nan 0.000 0.458 65 N N 0.254 118.954 118.700 -0.000 0.000 2.511 65 N HA 0.385 5.125 4.740 0.000 0.000 0.249 65 N C -1.020 174.490 175.510 -0.000 0.000 0.971 65 N CA -0.022 53.029 53.050 0.002 0.000 0.938 65 N CB 0.846 39.332 38.487 -0.003 0.000 1.131 65 N HN -0.035 nan 8.380 nan 0.000 0.505 66 L N 1.839 123.062 121.223 0.000 0.000 2.282 66 L HA 0.386 4.726 4.340 0.000 0.000 0.287 66 L C 0.557 177.424 176.870 -0.006 0.000 1.075 66 L CA -0.345 54.492 54.840 -0.006 0.000 0.839 66 L CB 0.301 42.356 42.059 -0.007 0.000 1.219 66 L HN 0.296 nan 8.230 nan 0.000 0.434 67 E N 3.571 123.766 120.200 -0.008 0.000 2.232 67 E HA 0.294 4.644 4.350 0.000 0.000 0.265 67 E C -1.538 175.054 176.600 -0.013 0.000 1.001 67 E CA -1.780 54.616 56.400 -0.007 0.000 0.870 67 E CB 1.197 30.896 29.700 -0.002 0.000 1.175 67 E HN 0.253 nan 8.360 nan 0.000 0.407 68 P HA -0.223 nan 4.420 nan 0.000 0.215 68 P C 0.579 177.868 177.300 -0.019 0.000 1.163 68 P CA 1.581 64.674 63.100 -0.012 0.000 0.894 68 P CB 0.070 31.768 31.700 -0.004 0.000 0.791 69 D N -1.487 118.909 120.400 -0.007 0.000 2.368 69 D HA 0.041 4.681 4.640 0.000 0.000 0.218 69 D C -0.036 176.264 176.300 -0.000 0.000 1.112 69 D CA -0.204 53.796 54.000 -0.000 0.000 0.834 69 D CB -0.568 40.252 40.800 0.033 0.000 0.953 69 D HN 0.413 nan 8.370 nan 0.000 0.505 70 N N -1.970 116.721 118.700 -0.015 0.000 3.545 70 N HA 0.238 4.978 4.740 0.000 0.000 0.227 70 N C -2.114 173.390 175.510 -0.011 0.000 1.380 70 N CA -0.962 52.086 53.050 -0.005 0.000 0.892 70 N CB 1.341 39.848 38.487 0.034 0.000 1.441 70 N HN -0.212 nan 8.380 nan 0.000 0.497 71 V N 0.269 120.180 119.914 -0.005 0.000 2.417 71 V HA 0.734 4.854 4.120 0.000 0.000 0.291 71 V C 0.669 176.770 176.094 0.011 0.000 1.024 71 V CA -0.484 61.813 62.300 -0.005 0.000 0.861 71 V CB 1.260 33.073 31.823 -0.018 0.000 0.985 71 V HN 0.872 nan 8.190 nan 0.000 0.436 72 G N 4.206 113.009 108.800 0.005 0.000 2.394 72 G HA2 0.468 4.428 3.960 0.000 0.000 0.298 72 G HA3 0.468 4.428 3.960 0.000 0.000 0.298 72 G C -0.489 174.414 174.900 0.005 0.000 1.087 72 G CA -0.117 44.987 45.100 0.005 0.000 1.035 72 G HN 0.523 nan 8.290 nan 0.000 0.420 73 V N 3.455 123.386 119.914 0.029 0.000 2.427 73 V HA 0.238 4.358 4.120 0.000 0.000 0.286 73 V C 0.289 176.377 176.094 -0.011 0.000 1.034 73 V CA -0.772 61.551 62.300 0.037 0.000 0.893 73 V CB 1.789 33.698 31.823 0.143 0.000 0.982 73 V HN 0.411 nan 8.190 nan 0.000 0.452 74 V N 5.971 125.826 119.914 -0.098 0.000 2.406 74 V HA 0.243 4.363 4.120 0.000 0.000 0.272 74 V C 0.060 175.950 176.094 -0.341 0.000 1.043 74 V CA -0.221 61.953 62.300 -0.209 0.000 0.915 74 V CB 1.774 33.453 31.823 -0.241 0.000 0.988 74 V HN 0.655 nan 8.190 nan 0.000 0.466 75 V N 6.865 126.623 119.914 -0.261 0.000 2.432 75 V HA 0.266 4.387 4.120 0.000 0.000 0.271 75 V C 0.144 176.111 176.094 -0.211 0.000 1.046 75 V CA -0.326 61.830 62.300 -0.242 0.000 0.945 75 V CB 0.817 32.501 31.823 -0.232 0.000 0.992 75 V HN 0.705 nan 8.190 nan 0.000 0.471 76 F N 4.649 124.647 119.950 0.080 0.000 2.705 76 F HA 0.593 5.120 4.527 0.000 0.000 0.355 76 F C 1.169 176.998 175.800 0.049 0.000 1.172 76 F CA 0.160 58.206 58.000 0.078 0.000 1.332 76 F CB -0.273 38.785 39.000 0.097 0.000 1.621 76 F HN 0.721 nan 8.300 nan 0.000 0.605 77 G N 0.077 108.965 108.800 0.146 0.000 2.333 77 G HA2 -0.006 3.954 3.960 0.000 0.000 0.288 77 G HA3 -0.006 3.954 3.960 0.000 0.000 0.288 77 G C -1.541 173.369 174.900 0.017 0.000 1.286 77 G CA -1.185 43.967 45.100 0.086 0.000 0.865 77 G HN 0.026 nan 8.290 nan 0.000 0.506 78 N N 1.585 120.287 118.700 0.003 0.000 2.420 78 N HA 0.113 4.854 4.740 0.000 0.000 0.262 78 N C 1.026 176.496 175.510 -0.067 0.000 1.144 78 N CA 0.366 53.403 53.050 -0.022 0.000 0.952 78 N CB 0.973 39.455 38.487 -0.009 0.000 1.081 78 N HN 0.585 nan 8.380 nan 0.000 0.480 79 D N 3.475 123.822 120.400 -0.088 0.000 2.378 79 D HA -0.173 4.467 4.640 0.000 0.000 0.227 79 D C 1.098 177.334 176.300 -0.106 0.000 1.012 79 D CA 0.394 54.311 54.000 -0.139 0.000 0.905 79 D CB 0.072 40.781 40.800 -0.152 0.000 0.895 79 D HN 0.715 nan 8.370 nan 0.000 0.532 80 K N 1.092 121.452 120.400 -0.067 0.000 2.280 80 K HA -0.108 4.212 4.320 0.000 0.000 0.202 80 K C 1.854 178.426 176.600 -0.047 0.000 1.047 80 K CA 0.624 56.883 56.287 -0.048 0.000 0.942 80 K CB -0.352 32.131 32.500 -0.028 0.000 0.739 80 K HN 0.202 nan 8.250 nan 0.000 0.457 81 L N 1.099 122.288 121.223 -0.057 0.000 2.558 81 L HA 0.236 4.576 4.340 0.000 0.000 0.225 81 L C 0.775 177.613 176.870 -0.054 0.000 1.128 81 L CA -0.056 54.759 54.840 -0.042 0.000 0.868 81 L CB -0.082 41.962 42.059 -0.025 0.000 1.006 81 L HN 0.098 nan 8.230 nan 0.000 0.454 82 I N 0.052 120.561 120.570 -0.103 0.000 2.488 82 I HA 0.279 4.449 4.170 0.000 0.000 0.299 82 I C -0.130 175.955 176.117 -0.054 0.000 0.984 82 I CA -0.288 60.946 61.300 -0.110 0.000 1.250 82 I CB 1.321 39.153 38.000 -0.279 0.000 1.389 82 I HN 0.020 nan 8.210 nan 0.000 0.488 83 K N 3.806 124.200 120.400 -0.010 0.000 2.512 83 K HA 0.367 4.687 4.320 0.000 0.000 0.263 83 K C -1.082 175.530 176.600 0.022 0.000 0.966 83 K CA -1.000 55.287 56.287 0.000 0.000 0.851 83 K CB 1.968 34.471 32.500 0.005 0.000 1.395 83 K HN 0.527 nan 8.250 nan 0.000 0.440 84 E N 0.309 120.518 120.200 0.014 0.000 2.452 84 E HA 0.038 4.388 4.350 0.000 0.000 0.261 84 E C 0.520 177.135 176.600 0.026 0.000 0.987 84 E CA 1.414 57.827 56.400 0.021 0.000 0.926 84 E CB 0.093 29.797 29.700 0.008 0.000 0.934 84 E HN 0.758 nan 8.360 nan 0.000 0.452 85 G N 3.927 112.748 108.800 0.036 0.000 2.258 85 G HA2 -0.244 3.716 3.960 0.000 0.000 0.233 85 G HA3 -0.244 3.716 3.960 0.000 0.000 0.233 85 G C -0.139 174.793 174.900 0.052 0.000 1.006 85 G CA 0.066 45.185 45.100 0.032 0.000 0.620 85 G HN 0.680 nan 8.290 nan 0.000 0.511 86 D N 0.572 121.018 120.400 0.077 0.000 2.478 86 D HA 0.340 4.980 4.640 0.000 0.000 0.234 86 D C 0.658 177.017 176.300 0.098 0.000 1.154 86 D CA 0.181 54.243 54.000 0.103 0.000 0.874 86 D CB 0.572 41.471 40.800 0.166 0.000 1.198 86 D HN 0.243 nan 8.370 nan 0.000 0.455 87 I N 1.823 122.437 120.570 0.073 0.000 2.371 87 I HA 0.076 4.246 4.170 0.000 0.000 0.290 87 I C -0.354 175.756 176.117 -0.012 0.000 1.028 87 I CA -0.103 61.216 61.300 0.032 0.000 1.345 87 I CB 1.050 39.062 38.000 0.020 0.000 1.407 87 I HN 0.022 nan 8.210 nan 0.000 0.501 88 V N 7.239 127.101 119.914 -0.086 0.000 2.459 88 V HA 0.487 4.607 4.120 0.000 0.000 0.295 88 V C -0.123 175.864 176.094 -0.179 0.000 1.029 88 V CA -1.005 61.137 62.300 -0.263 0.000 0.874 88 V CB 1.448 33.025 31.823 -0.411 0.000 0.985 88 V HN 0.555 nan 8.190 nan 0.000 0.438 89 K N 3.823 124.111 120.400 -0.187 0.000 2.259 89 K HA 0.624 4.944 4.320 0.000 0.000 0.252 89 K C -0.227 176.307 176.600 -0.110 0.000 0.936 89 K CA -0.876 55.345 56.287 -0.111 0.000 0.810 89 K CB 2.548 35.007 32.500 -0.069 0.000 1.143 89 K HN 0.572 nan 8.250 nan 0.000 0.427 90 R N 0.174 120.629 120.500 -0.074 0.000 2.840 90 R HA 0.089 4.429 4.340 0.000 0.000 0.282 90 R C 0.574 176.852 176.300 -0.037 0.000 1.133 90 R CA 0.179 56.246 56.100 -0.056 0.000 1.208 90 R CB 0.253 30.530 30.300 -0.038 0.000 1.160 90 R HN 0.584 nan 8.270 nan 0.000 0.576 91 T N -1.085 113.457 114.554 -0.020 0.000 3.046 91 T HA 0.161 4.511 4.350 0.000 0.000 0.270 91 T C 0.950 175.649 174.700 -0.001 0.000 0.920 91 T CA 0.363 62.459 62.100 -0.006 0.000 0.874 91 T CB 0.751 69.624 68.868 0.007 0.000 1.214 91 T HN 0.890 nan 8.240 nan 0.000 0.536 92 G N 2.013 110.811 108.800 -0.004 0.000 2.196 92 G HA2 -0.171 3.789 3.960 0.000 0.000 0.268 92 G HA3 -0.171 3.789 3.960 0.000 0.000 0.268 92 G C 0.220 175.123 174.900 0.005 0.000 0.975 92 G CA 0.345 45.445 45.100 -0.001 0.000 0.648 92 G HN 0.977 nan 8.290 nan 0.000 0.538 93 A N 0.640 123.466 122.820 0.010 0.000 2.304 93 A HA 0.742 5.062 4.320 0.000 0.000 0.323 93 A C 0.422 178.021 177.584 0.025 0.000 1.195 93 A CA -0.724 51.322 52.037 0.016 0.000 0.826 93 A CB 0.779 19.788 19.000 0.016 0.000 1.184 93 A HN 0.493 nan 8.150 nan 0.000 0.496 94 I N 2.813 123.396 120.570 0.023 0.000 2.588 94 I HA 0.040 4.210 4.170 0.000 0.000 0.283 94 I C 0.604 176.741 176.117 0.033 0.000 1.119 94 I CA 0.034 61.352 61.300 0.029 0.000 1.419 94 I CB 0.777 38.789 38.000 0.020 0.000 1.394 94 I HN 0.384 nan 8.210 nan 0.000 0.562 95 V N 6.586 126.532 119.914 0.052 0.000 2.780 95 V HA -0.142 3.978 4.120 0.000 0.000 0.301 95 V C 0.258 176.358 176.094 0.010 0.000 1.168 95 V CA 0.646 62.973 62.300 0.045 0.000 1.305 95 V CB -0.510 31.359 31.823 0.077 0.000 0.858 95 V HN 1.005 nan 8.190 nan 0.000 0.502 96 D N 3.255 123.652 120.400 -0.005 0.000 2.752 96 D HA 0.768 5.408 4.640 0.000 0.000 0.313 96 D C -0.703 175.582 176.300 -0.026 0.000 1.225 96 D CA -0.301 53.692 54.000 -0.011 0.000 0.976 96 D CB 2.158 42.958 40.800 -0.001 0.000 1.443 96 D HN 0.680 nan 8.370 nan 0.000 0.515 97 V N -5.817 114.084 119.914 -0.021 0.000 3.204 97 V HA 0.724 4.844 4.120 0.000 0.000 0.298 97 V C -2.964 173.113 176.094 -0.029 0.000 1.328 97 V CA -2.100 60.183 62.300 -0.029 0.000 1.035 97 V CB 1.495 33.298 31.823 -0.033 0.000 1.095 97 V HN 0.624 nan 8.190 nan 0.000 0.442 98 P HA 0.330 nan 4.420 nan 0.000 0.267 98 P C -0.682 176.572 177.300 -0.075 0.000 1.201 98 P CA 0.264 63.330 63.100 -0.057 0.000 0.775 98 P CB 0.922 32.589 31.700 -0.056 0.000 0.854 99 V N 0.933 120.767 119.914 -0.133 0.000 3.120 99 V HA 0.802 4.922 4.120 0.000 0.000 0.303 99 V C 0.148 175.931 176.094 -0.517 0.000 1.238 99 V CA 0.439 62.609 62.300 -0.217 0.000 1.008 99 V CB 2.033 33.797 31.823 -0.098 0.000 1.064 99 V HN 1.060 nan 8.190 nan 0.000 0.434 100 G N 2.347 110.565 108.800 -0.969 0.000 2.479 100 G HA2 -0.047 3.913 3.960 0.000 0.000 0.686 100 G HA3 -0.047 3.913 3.960 0.000 0.000 0.686 100 G C 0.119 174.519 174.900 -0.833 0.000 1.295 100 G CA 0.020 44.130 45.100 -1.649 0.000 0.922 100 G HN 0.703 nan 8.290 nan 0.000 0.582 101 E N 0.082 119.875 120.200 -0.678 0.000 2.273 101 E HA -0.167 4.183 4.350 0.000 0.000 0.198 101 E C 2.024 178.554 176.600 -0.117 0.000 1.002 101 E CA 1.685 57.943 56.400 -0.237 0.000 0.828 101 E CB 0.048 29.671 29.700 -0.129 0.000 0.747 101 E HN 0.615 nan 8.360 nan 0.000 0.491 102 E N 0.801 120.904 120.200 -0.161 0.000 2.160 102 E HA -0.153 4.197 4.350 0.000 0.000 0.195 102 E C 1.997 178.568 176.600 -0.049 0.000 0.991 102 E CA 0.661 57.009 56.400 -0.086 0.000 0.810 102 E CB -0.216 29.429 29.700 -0.091 0.000 0.742 102 E HN 0.248 nan 8.360 nan 0.000 0.466 103 L N 0.203 121.391 121.223 -0.058 0.000 2.141 103 L HA -0.063 4.277 4.340 0.000 0.000 0.209 103 L C 0.618 177.511 176.870 0.038 0.000 1.094 103 L CA 0.178 55.013 54.840 -0.008 0.000 0.763 103 L CB -0.504 41.552 42.059 -0.005 0.000 0.908 103 L HN 0.086 nan 8.230 nan 0.000 0.437 104 L N 0.651 121.919 121.223 0.075 0.000 2.593 104 L HA -0.006 4.334 4.340 0.000 0.000 0.287 104 L C 1.454 178.358 176.870 0.057 0.000 1.243 104 L CA 0.775 55.677 54.840 0.103 0.000 0.890 104 L CB -0.443 41.716 42.059 0.167 0.000 1.134 104 L HN 0.395 nan 8.230 nan 0.000 0.502 105 G N 2.025 110.846 108.800 0.034 0.000 2.153 105 G HA2 -0.257 3.703 3.960 0.000 0.000 0.252 105 G HA3 -0.257 3.703 3.960 0.000 0.000 0.252 105 G C 0.269 175.170 174.900 0.001 0.000 0.994 105 G CA -0.026 45.076 45.100 0.003 0.000 0.698 105 G HN 0.611 nan 8.290 nan 0.000 0.521 106 R N -1.084 119.422 120.500 0.010 0.000 2.854 106 R HA 0.626 4.966 4.340 0.000 0.000 0.271 106 R C -0.772 175.535 176.300 0.012 0.000 0.994 106 R CA -0.874 55.230 56.100 0.007 0.000 0.945 106 R CB 2.341 32.645 30.300 0.006 0.000 1.194 106 R HN 0.112 nan 8.270 nan 0.000 0.476 107 V N 2.976 122.896 119.914 0.011 0.000 2.328 107 V HA 0.268 4.388 4.120 0.000 0.000 0.278 107 V C 0.333 176.438 176.094 0.018 0.000 1.021 107 V CA -0.682 61.629 62.300 0.019 0.000 0.838 107 V CB 1.098 32.932 31.823 0.017 0.000 0.999 107 V HN 0.575 nan 8.190 nan 0.000 0.447 108 V N 1.508 121.435 119.914 0.021 0.000 3.096 108 V HA 0.804 4.924 4.120 0.000 0.000 0.319 108 V C -0.113 175.990 176.094 0.015 0.000 1.103 108 V CA -0.793 61.515 62.300 0.013 0.000 1.016 108 V CB 2.023 33.850 31.823 0.006 0.000 1.090 108 V HN 0.764 nan 8.190 nan 0.000 0.449 109 D N 1.301 121.705 120.400 0.006 0.000 2.511 109 D HA 0.459 5.100 4.640 0.000 0.000 0.276 109 D C 1.117 177.411 176.300 -0.010 0.000 1.220 109 D CA -0.083 53.920 54.000 0.006 0.000 1.077 109 D CB 1.181 41.986 40.800 0.008 0.000 1.126 109 D HN 0.808 nan 8.370 nan 0.000 0.583 110 A N -0.747 122.063 122.820 -0.017 0.000 2.178 110 A HA -0.020 4.300 4.320 0.000 0.000 0.218 110 A C 2.066 179.595 177.584 -0.091 0.000 1.157 110 A CA 0.845 52.855 52.037 -0.044 0.000 0.689 110 A CB -0.743 18.236 19.000 -0.035 0.000 0.787 110 A HN 0.525 nan 8.150 nan 0.000 0.465 111 L N -2.537 118.631 121.223 -0.092 0.000 2.693 111 L HA 0.301 4.641 4.340 0.000 0.000 0.235 111 L C 1.700 178.531 176.870 -0.065 0.000 1.127 111 L CA 0.557 55.329 54.840 -0.114 0.000 0.914 111 L CB 0.332 42.308 42.059 -0.138 0.000 1.193 111 L HN 0.531 nan 8.230 nan 0.000 0.502 112 G N -0.475 108.301 108.800 -0.041 0.000 2.307 112 G HA2 -0.240 3.720 3.960 0.000 0.000 0.210 112 G HA3 -0.240 3.720 3.960 0.000 0.000 0.210 112 G C 0.227 175.116 174.900 -0.019 0.000 1.005 112 G CA -0.493 44.590 45.100 -0.028 0.000 0.634 112 G HN 0.296 nan 8.290 nan 0.000 0.496 113 N N 2.087 120.777 118.700 -0.017 0.000 2.356 113 N HA 0.406 5.146 4.740 0.000 0.000 0.252 113 N C 0.717 176.225 175.510 -0.002 0.000 1.241 113 N CA 0.920 53.966 53.050 -0.008 0.000 0.861 113 N CB 0.905 39.391 38.487 -0.002 0.000 1.075 113 N HN 0.919 nan 8.380 nan 0.000 0.461 114 A N 1.989 124.809 122.820 -0.001 0.000 2.445 114 A HA 0.293 4.613 4.320 0.000 0.000 0.242 114 A C 1.377 178.965 177.584 0.007 0.000 1.075 114 A CA -0.315 51.724 52.037 0.002 0.000 0.777 114 A CB -0.116 18.884 19.000 0.000 0.000 1.013 114 A HN 0.839 nan 8.150 nan 0.000 0.493 115 I N -1.840 118.735 120.570 0.009 0.000 4.338 115 I HA 0.234 4.404 4.170 0.000 0.000 0.329 115 I C 0.195 176.318 176.117 0.010 0.000 1.378 115 I CA 0.126 61.433 61.300 0.012 0.000 1.170 115 I CB 0.412 38.422 38.000 0.017 0.000 1.206 115 I HN 0.449 nan 8.210 nan 0.000 0.432 116 D N 1.498 121.902 120.400 0.007 0.000 2.328 116 D HA 0.130 4.770 4.640 0.000 0.000 0.226 116 D C 1.664 177.965 176.300 0.003 0.000 1.066 116 D CA 0.417 54.419 54.000 0.004 0.000 0.861 116 D CB -0.218 40.583 40.800 0.001 0.000 0.912 116 D HN 0.430 nan 8.370 nan 0.000 0.521 117 G N 1.005 109.808 108.800 0.004 0.000 2.337 117 G HA2 -0.402 3.558 3.960 0.000 0.000 0.290 117 G HA3 -0.402 3.558 3.960 0.000 0.000 0.290 117 G C 0.663 175.564 174.900 0.002 0.000 1.003 117 G CA 0.565 45.667 45.100 0.004 0.000 0.825 117 G HN 0.475 nan 8.290 nan 0.000 0.509 118 K N 0.131 120.531 120.400 0.001 0.000 2.577 118 K HA 0.463 4.783 4.320 0.000 0.000 0.210 118 K C 1.327 177.927 176.600 -0.000 0.000 1.048 118 K CA 0.363 56.650 56.287 -0.000 0.000 1.188 118 K CB 0.099 32.599 32.500 -0.001 0.000 0.910 118 K HN 1.300 nan 8.250 nan 0.000 0.483 119 G N 2.099 110.899 108.800 -0.000 0.000 2.756 119 G HA2 -0.180 3.780 3.960 0.000 0.000 0.678 119 G HA3 -0.180 3.780 3.960 0.000 0.000 0.678 119 G C -2.861 172.038 174.900 -0.003 0.000 1.349 119 G CA -1.287 43.813 45.100 -0.001 0.000 0.847 119 G HN 0.026 nan 8.290 nan 0.000 0.548 120 P HA 0.512 nan 4.420 nan 0.000 0.274 120 P C 0.333 177.627 177.300 -0.011 0.000 1.246 120 P CA -0.574 62.522 63.100 -0.007 0.000 0.795 120 P CB 0.442 32.138 31.700 -0.007 0.000 1.006 121 I N 0.542 121.102 120.570 -0.016 0.000 2.428 121 I HA 0.174 4.344 4.170 0.000 0.000 0.289 121 I C 1.531 177.630 176.117 -0.030 0.000 1.019 121 I CA -0.047 61.238 61.300 -0.024 0.000 1.351 121 I CB 0.351 38.332 38.000 -0.031 0.000 1.412 121 I HN 0.471 nan 8.210 nan 0.000 0.513 122 G N 4.528 113.307 108.800 -0.035 0.000 3.574 122 G HA2 0.142 4.103 3.960 0.000 0.000 0.262 122 G HA3 0.142 4.103 3.960 0.000 0.000 0.262 122 G C 0.386 175.254 174.900 -0.053 0.000 1.231 122 G CA -0.224 44.855 45.100 -0.036 0.000 1.608 122 G HN 0.560 nan 8.290 nan 0.000 0.628 123 S N -0.173 115.491 115.700 -0.059 0.000 2.549 123 S HA 0.185 4.655 4.470 0.000 0.000 0.279 123 S C 1.054 175.618 174.600 -0.060 0.000 1.321 123 S CA -0.121 58.032 58.200 -0.078 0.000 1.054 123 S CB 1.572 64.722 63.200 -0.082 0.000 0.899 123 S HN 0.550 nan 8.310 nan 0.000 0.497 124 K N 0.957 121.316 120.400 -0.068 0.000 2.391 124 K HA 0.331 4.651 4.320 0.000 0.000 0.197 124 K C 0.415 176.993 176.600 -0.036 0.000 1.087 124 K CA 0.045 56.306 56.287 -0.043 0.000 1.012 124 K CB 0.649 33.129 32.500 -0.034 0.000 0.925 124 K HN 0.572 nan 8.250 nan 0.000 0.547 125 A N 1.491 124.279 122.820 -0.054 0.000 2.350 125 A HA 0.732 5.052 4.320 0.000 0.000 0.318 125 A C -0.722 176.839 177.584 -0.038 0.000 1.132 125 A CA -0.685 51.334 52.037 -0.030 0.000 0.811 125 A CB 1.166 20.165 19.000 -0.002 0.000 1.313 125 A HN 0.063 nan 8.150 nan 0.000 0.454 126 R N -0.932 119.560 120.500 -0.013 0.000 2.855 126 R HA 0.799 5.139 4.340 0.000 0.000 0.266 126 R C -1.178 175.126 176.300 0.008 0.000 1.034 126 R CA -0.932 55.161 56.100 -0.011 0.000 0.944 126 R CB 2.270 32.564 30.300 -0.010 0.000 1.219 126 R HN 0.728 nan 8.270 nan 0.000 0.474 127 R N 0.287 120.791 120.500 0.008 0.000 2.561 127 R HA 0.253 4.593 4.340 0.000 0.000 0.266 127 R C -1.432 174.877 176.300 0.015 0.000 1.091 127 R CA -0.632 55.481 56.100 0.022 0.000 0.927 127 R CB 1.425 31.748 30.300 0.038 0.000 1.240 127 R HN 0.491 nan 8.270 nan 0.000 0.449 128 R N 2.214 122.724 120.500 0.016 0.000 2.537 128 R HA 0.044 4.384 4.340 0.000 0.000 0.280 128 R C 1.416 177.723 176.300 0.010 0.000 1.058 128 R CA 0.418 56.523 56.100 0.009 0.000 1.057 128 R CB 0.672 30.976 30.300 0.008 0.000 0.973 128 R HN 0.604 nan 8.270 nan 0.000 0.438 129 V N 1.168 121.082 119.914 -0.000 0.000 2.407 129 V HA -0.015 4.105 4.120 0.000 0.000 0.248 129 V C 0.981 177.078 176.094 0.005 0.000 1.055 129 V CA 1.585 63.892 62.300 0.011 0.000 1.049 129 V CB -0.492 31.329 31.823 -0.003 0.000 0.662 129 V HN 0.757 nan 8.190 nan 0.000 0.455 130 G N 1.098 109.868 108.800 -0.051 0.000 2.655 130 G HA2 0.651 4.611 3.960 0.000 0.000 0.334 130 G HA3 0.651 4.611 3.960 0.000 0.000 0.334 130 G C -0.967 173.908 174.900 -0.040 0.000 1.099 130 G CA -0.431 44.614 45.100 -0.093 0.000 1.075 130 G HN 0.348 nan 8.290 nan 0.000 0.463 131 L N 1.407 122.626 121.223 -0.008 0.000 2.381 131 L HA 0.483 4.823 4.340 0.000 0.000 0.268 131 L C 0.425 177.303 176.870 0.012 0.000 0.997 131 L CA -1.075 53.769 54.840 0.007 0.000 0.818 131 L CB 2.635 44.706 42.059 0.021 0.000 1.310 131 L HN 0.334 nan 8.230 nan 0.000 0.416 132 K N 1.409 121.818 120.400 0.016 0.000 2.440 132 K HA 0.373 4.693 4.320 0.000 0.000 0.270 132 K C -0.055 176.555 176.600 0.017 0.000 0.980 132 K CA -0.056 56.244 56.287 0.023 0.000 0.953 132 K CB 0.813 33.329 32.500 0.027 0.000 0.925 132 K HN 0.676 nan 8.250 nan 0.000 0.497 133 A N 4.711 127.541 122.820 0.016 0.000 2.371 133 A HA 0.332 4.652 4.320 0.000 0.000 0.257 133 A C -2.177 175.399 177.584 -0.014 0.000 1.089 133 A CA -1.387 50.653 52.037 0.005 0.000 0.794 133 A CB -0.236 18.767 19.000 0.006 0.000 1.029 133 A HN 0.580 nan 8.150 nan 0.000 0.488 134 P HA 0.124 nan 4.420 nan 0.000 0.265 134 P C 0.743 177.995 177.300 -0.080 0.000 1.187 134 P CA 0.567 63.615 63.100 -0.086 0.000 0.766 134 P CB 0.277 31.891 31.700 -0.145 0.000 0.820 135 G N 1.652 110.400 108.800 -0.086 0.000 2.468 135 G HA2 0.097 4.057 3.960 0.000 0.000 0.264 135 G HA3 0.097 4.057 3.960 0.000 0.000 0.264 135 G C 1.208 176.063 174.900 -0.074 0.000 1.460 135 G CA -0.588 44.476 45.100 -0.061 0.000 1.060 135 G HN 0.426 nan 8.290 nan 0.000 0.543 136 I N -0.136 120.405 120.570 -0.048 0.000 2.163 136 I HA -0.125 4.045 4.170 0.000 0.000 0.240 136 I C 2.670 178.755 176.117 -0.054 0.000 1.081 136 I CA 0.643 61.919 61.300 -0.040 0.000 1.353 136 I CB -0.213 37.777 38.000 -0.017 0.000 1.054 136 I HN 0.251 nan 8.210 nan 0.000 0.407 137 I N 1.398 121.939 120.570 -0.048 0.000 2.163 137 I HA -0.180 3.990 4.170 0.000 0.000 0.243 137 I C -0.308 175.754 176.117 -0.092 0.000 1.085 137 I CA 1.881 63.164 61.300 -0.029 0.000 1.347 137 I CB -2.740 35.277 38.000 0.028 0.000 1.044 137 I HN 0.198 nan 8.210 nan 0.000 0.408 138 P HA -0.016 nan 4.420 nan 0.000 0.242 138 P C 0.263 177.291 177.300 -0.453 0.000 1.197 138 P CA 0.751 63.358 63.100 -0.821 0.000 0.765 138 P CB 0.042 30.905 31.700 -1.394 0.000 0.936 139 R N -0.522 119.859 120.500 -0.199 0.000 2.893 139 R HA 0.761 5.101 4.340 0.000 0.000 0.245 139 R C -0.609 175.671 176.300 -0.033 0.000 1.192 139 R CA -1.054 54.984 56.100 -0.104 0.000 1.077 139 R CB 1.054 31.306 30.300 -0.081 0.000 1.253 139 R HN -0.126 nan 8.270 nan 0.000 0.505 140 I N -0.764 119.798 120.570 -0.015 0.000 2.827 140 I HA 0.201 4.371 4.170 0.000 0.000 0.298 140 I C -0.841 175.272 176.117 -0.006 0.000 1.235 140 I CA -0.176 61.126 61.300 0.002 0.000 1.021 140 I CB 2.573 40.585 38.000 0.021 0.000 1.259 140 I HN 0.548 nan 8.210 nan 0.000 0.427 141 S N 3.962 119.659 115.700 -0.005 0.000 2.573 141 S HA 0.151 4.621 4.470 0.000 0.000 0.297 141 S C -0.123 174.467 174.600 -0.016 0.000 1.280 141 S CA -0.444 57.750 58.200 -0.009 0.000 1.061 141 S CB 0.161 63.357 63.200 -0.007 0.000 0.812 141 S HN 0.457 nan 8.310 nan 0.000 0.500 142 V N 4.800 124.700 119.914 -0.022 0.000 2.599 142 V HA 0.059 4.179 4.120 0.000 0.000 0.300 142 V C 1.148 177.221 176.094 -0.035 0.000 1.034 142 V CA 0.846 63.125 62.300 -0.035 0.000 1.115 142 V CB 0.407 32.207 31.823 -0.038 0.000 0.934 142 V HN 0.883 nan 8.190 nan 0.000 0.485 143 R N 1.473 121.945 120.500 -0.046 0.000 2.676 143 R HA 0.194 4.534 4.340 0.000 0.000 0.241 143 R C -0.089 176.177 176.300 -0.057 0.000 0.964 143 R CA -0.267 55.809 56.100 -0.041 0.000 1.054 143 R CB 0.646 30.930 30.300 -0.027 0.000 1.603 143 R HN 0.758 nan 8.270 nan 0.000 0.577 144 E N 3.487 123.636 120.200 -0.086 0.000 2.227 144 E HA 0.242 4.592 4.350 0.000 0.000 0.282 144 E C -2.478 174.043 176.600 -0.132 0.000 1.015 144 E CA -2.324 54.007 56.400 -0.115 0.000 0.823 144 E CB 0.885 30.486 29.700 -0.165 0.000 1.081 144 E HN -0.115 nan 8.360 nan 0.000 0.396 145 P HA 0.028 nan 4.420 nan 0.000 0.272 145 P C -0.562 176.635 177.300 -0.170 0.000 1.230 145 P CA -0.261 62.769 63.100 -0.117 0.000 0.788 145 P CB 0.529 32.174 31.700 -0.091 0.000 0.949 146 M N 2.018 121.535 119.600 -0.137 0.000 1.999 146 M HA 0.147 4.627 4.480 0.000 0.000 0.299 146 M C -0.835 175.413 176.300 -0.086 0.000 0.900 146 M CA -0.492 54.719 55.300 -0.148 0.000 0.904 146 M CB 0.694 33.223 32.600 -0.118 0.000 1.477 146 M HN 0.289 nan 8.290 nan 0.000 0.403 147 Q N 2.366 122.121 119.800 -0.075 0.000 2.293 147 Q HA 0.200 4.540 4.340 0.000 0.000 0.263 147 Q C 1.205 177.240 176.000 0.058 0.000 1.002 147 Q CA 0.158 55.974 55.803 0.022 0.000 0.910 147 Q CB 0.800 29.605 28.738 0.112 0.000 1.185 147 Q HN 0.768 nan 8.270 nan 0.000 0.401 148 T N -1.109 113.467 114.554 0.037 0.000 2.894 148 T HA 0.126 4.477 4.350 0.000 0.000 0.258 148 T C 1.239 175.965 174.700 0.044 0.000 1.043 148 T CA 0.765 62.886 62.100 0.036 0.000 1.141 148 T CB 0.063 68.940 68.868 0.016 0.000 0.873 148 T HN 0.828 nan 8.240 nan 0.000 0.449 149 G N 1.335 110.159 108.800 0.040 0.000 2.184 149 G HA2 -0.116 3.844 3.960 0.000 0.000 0.206 149 G HA3 -0.116 3.844 3.960 0.000 0.000 0.206 149 G C -0.026 174.881 174.900 0.012 0.000 0.995 149 G CA -0.148 44.969 45.100 0.029 0.000 0.651 149 G HN 0.655 nan 8.290 nan 0.000 0.511 150 I N 1.469 122.044 120.570 0.009 0.000 2.328 150 I HA 0.277 4.447 4.170 0.000 0.000 0.287 150 I C 1.520 177.641 176.117 0.006 0.000 1.012 150 I CA -0.906 60.394 61.300 -0.000 0.000 1.195 150 I CB 1.336 39.331 38.000 -0.008 0.000 1.350 150 I HN 0.008 nan 8.210 nan 0.000 0.464 151 K N 4.533 124.936 120.400 0.006 0.000 2.015 151 K HA -0.253 4.067 4.320 0.000 0.000 0.216 151 K C 2.143 178.750 176.600 0.011 0.000 1.052 151 K CA 1.890 58.184 56.287 0.011 0.000 0.937 151 K CB -0.355 32.153 32.500 0.013 0.000 0.719 151 K HN 0.772 nan 8.250 nan 0.000 0.446 152 A N 1.221 124.045 122.820 0.007 0.000 1.927 152 A HA -0.199 4.121 4.320 0.000 0.000 0.220 152 A C 2.489 180.081 177.584 0.013 0.000 1.185 152 A CA 2.109 54.151 52.037 0.010 0.000 0.639 152 A CB -0.887 18.116 19.000 0.005 0.000 0.820 152 A HN 0.133 nan 8.150 nan 0.000 0.451 153 V N 0.195 120.115 119.914 0.010 0.000 2.273 153 V HA -0.161 3.959 4.120 0.000 0.000 0.242 153 V C 2.074 178.175 176.094 0.011 0.000 1.035 153 V CA 2.066 64.373 62.300 0.012 0.000 1.013 153 V CB -0.815 31.013 31.823 0.009 0.000 0.652 153 V HN 0.495 nan 8.190 nan 0.000 0.452 154 D N 0.501 120.908 120.400 0.011 0.000 2.265 154 D HA -0.121 4.519 4.640 0.000 0.000 0.208 154 D C 2.291 178.598 176.300 0.012 0.000 0.977 154 D CA 1.716 55.723 54.000 0.011 0.000 0.871 154 D CB -0.088 40.722 40.800 0.016 0.000 0.925 154 D HN 0.621 nan 8.370 nan 0.000 0.485 155 S N -0.960 114.748 115.700 0.014 0.000 2.468 155 S HA 0.098 4.568 4.470 0.000 0.000 0.226 155 S C 1.955 176.563 174.600 0.013 0.000 1.051 155 S CA -0.055 58.154 58.200 0.015 0.000 0.943 155 S CB -0.113 63.097 63.200 0.016 0.000 0.810 155 S HN 0.171 nan 8.310 nan 0.000 0.509 156 L N 1.358 122.590 121.223 0.015 0.000 2.388 156 L HA 0.348 4.688 4.340 0.000 0.000 0.209 156 L C 0.642 177.523 176.870 0.019 0.000 1.061 156 L CA 0.177 55.028 54.840 0.018 0.000 0.834 156 L CB 0.446 42.520 42.059 0.025 0.000 1.029 156 L HN 0.359 nan 8.230 nan 0.000 0.473 157 V N -3.013 116.912 119.914 0.017 0.000 2.666 157 V HA 0.390 4.511 4.120 0.000 0.000 0.306 157 V C -2.591 173.508 176.094 0.008 0.000 1.156 157 V CA -1.982 60.328 62.300 0.017 0.000 1.274 157 V CB -0.583 31.255 31.823 0.025 0.000 1.536 157 V HN -0.071 nan 8.190 nan 0.000 0.640 158 P HA 0.048 nan 4.420 nan 0.000 0.263 158 P C -0.323 176.970 177.300 -0.011 0.000 1.162 158 P CA 0.933 64.030 63.100 -0.005 0.000 0.758 158 P CB 0.689 32.385 31.700 -0.007 0.000 0.773 159 I N 1.909 122.467 120.570 -0.021 0.000 2.389 159 I HA 0.468 4.638 4.170 0.000 0.000 0.288 159 I C 1.060 177.146 176.117 -0.051 0.000 0.999 159 I CA -0.472 60.810 61.300 -0.031 0.000 1.129 159 I CB 2.030 40.012 38.000 -0.029 0.000 1.288 159 I HN 0.309 nan 8.210 nan 0.000 0.444 160 G N 4.820 113.587 108.800 -0.055 0.000 2.491 160 G HA2 0.566 4.526 3.960 0.000 0.000 0.327 160 G HA3 0.566 4.526 3.960 0.000 0.000 0.327 160 G C -0.474 174.368 174.900 -0.097 0.000 1.189 160 G CA -0.844 44.210 45.100 -0.076 0.000 0.956 160 G HN 0.525 nan 8.290 nan 0.000 0.491 161 R N -0.357 120.061 120.500 -0.138 0.000 2.347 161 R HA 0.430 4.770 4.340 0.000 0.000 0.304 161 R C 1.079 177.311 176.300 -0.114 0.000 1.072 161 R CA 0.961 56.959 56.100 -0.170 0.000 0.980 161 R CB 0.893 31.003 30.300 -0.316 0.000 0.986 161 R HN 1.067 nan 8.270 nan 0.000 0.448 162 G N 1.571 110.324 108.800 -0.079 0.000 2.176 162 G HA2 -0.290 3.670 3.960 0.000 0.000 0.232 162 G HA3 -0.290 3.670 3.960 0.000 0.000 0.232 162 G C 0.114 174.995 174.900 -0.031 0.000 0.986 162 G CA -0.131 44.944 45.100 -0.041 0.000 0.643 162 G HN 0.576 nan 8.290 nan 0.000 0.522 163 Q N -0.045 119.731 119.800 -0.039 0.000 2.260 163 Q HA 0.711 5.051 4.340 0.000 0.000 0.238 163 Q C 0.013 176.002 176.000 -0.019 0.000 0.948 163 Q CA -0.681 55.106 55.803 -0.027 0.000 0.895 163 Q CB 0.547 29.266 28.738 -0.032 0.000 1.218 163 Q HN 0.398 nan 8.270 nan 0.000 0.470 164 R N 1.936 122.431 120.500 -0.008 0.000 2.409 164 R HA 0.312 4.652 4.340 0.000 0.000 0.313 164 R C -1.449 174.851 176.300 -0.001 0.000 0.953 164 R CA -0.530 55.569 56.100 -0.000 0.000 0.849 164 R CB 1.693 32.000 30.300 0.012 0.000 1.171 164 R HN 0.473 nan 8.270 nan 0.000 0.458 165 E N 3.056 123.254 120.200 -0.004 0.000 2.224 165 E HA 0.279 4.629 4.350 0.000 0.000 0.265 165 E C -1.627 174.976 176.600 0.005 0.000 0.878 165 E CA -0.880 55.521 56.400 0.001 0.000 0.759 165 E CB 1.277 30.976 29.700 -0.002 0.000 1.164 165 E HN 0.365 nan 8.360 nan 0.000 0.414 166 L N 5.470 126.700 121.223 0.012 0.000 2.326 166 L HA 0.512 4.852 4.340 0.000 0.000 0.278 166 L C -0.968 175.920 176.870 0.031 0.000 1.092 166 L CA -0.073 54.776 54.840 0.015 0.000 0.810 166 L CB 0.716 42.783 42.059 0.013 0.000 1.153 166 L HN 0.663 nan 8.230 nan 0.000 0.439 167 I N 6.990 127.577 120.570 0.028 0.000 2.307 167 I HA 0.378 4.548 4.170 0.000 0.000 0.289 167 I C -0.338 175.816 176.117 0.061 0.000 1.021 167 I CA -0.147 61.179 61.300 0.043 0.000 1.224 167 I CB 1.030 39.047 38.000 0.028 0.000 1.376 167 I HN 0.557 nan 8.210 nan 0.000 0.470 168 I N 5.302 125.940 120.570 0.113 0.000 2.730 168 I HA 0.900 5.070 4.170 0.000 0.000 0.298 168 I C -0.235 176.021 176.117 0.233 0.000 1.089 168 I CA -0.070 61.323 61.300 0.155 0.000 1.041 168 I CB 2.131 40.224 38.000 0.155 0.000 1.235 168 I HN 0.690 nan 8.210 nan 0.000 0.423 169 G N 5.009 113.917 108.800 0.181 0.000 2.313 169 G HA2 0.146 4.107 3.960 0.000 0.000 0.296 169 G HA3 0.146 4.107 3.960 0.000 0.000 0.296 169 G C -1.909 173.032 174.900 0.067 0.000 1.356 169 G CA -0.758 44.411 45.100 0.116 0.000 0.833 169 G HN 0.504 nan 8.290 nan 0.000 0.552 170 D N 0.156 120.569 120.400 0.021 0.000 2.393 170 D HA 0.338 4.978 4.640 0.000 0.000 0.246 170 D C 1.176 177.463 176.300 -0.021 0.000 1.275 170 D CA -0.077 53.932 54.000 0.015 0.000 0.979 170 D CB 0.423 41.230 40.800 0.011 0.000 1.101 170 D HN 0.691 nan 8.370 nan 0.000 0.505 171 R N 0.251 120.744 120.500 -0.012 0.000 2.623 171 R HA 0.013 4.353 4.340 0.000 0.000 0.271 171 R C -0.055 176.196 176.300 -0.083 0.000 1.043 171 R CA -0.210 55.875 56.100 -0.026 0.000 1.083 171 R CB 0.135 30.432 30.300 -0.005 0.000 0.974 171 R HN 0.198 nan 8.270 nan 0.000 0.436 172 Q N -0.221 119.519 119.800 -0.100 0.000 2.480 172 Q HA -0.172 4.168 4.340 0.000 0.000 0.265 172 Q C 0.485 176.259 176.000 -0.376 0.000 1.072 172 Q CA 1.813 57.502 55.803 -0.190 0.000 1.018 172 Q CB -2.016 26.619 28.738 -0.172 0.000 1.433 172 Q HN 1.016 nan 8.270 nan 0.000 0.513 173 T N -4.753 109.630 114.554 -0.285 0.000 3.065 173 T HA 0.384 4.734 4.350 0.000 0.000 0.252 173 T C 1.281 175.852 174.700 -0.216 0.000 1.099 173 T CA 0.902 62.780 62.100 -0.369 0.000 1.063 173 T CB 0.813 69.546 68.868 -0.224 0.000 0.948 173 T HN 0.822 nan 8.240 nan 0.000 0.506 174 G N 1.405 110.134 108.800 -0.119 0.000 2.148 174 G HA2 -0.197 3.763 3.960 0.000 0.000 0.157 174 G HA3 -0.197 3.763 3.960 0.000 0.000 0.157 174 G C 0.651 175.549 174.900 -0.003 0.000 1.012 174 G CA 0.110 45.208 45.100 -0.003 0.000 0.677 174 G HN 0.460 nan 8.290 nan 0.000 0.506 175 K N -0.182 120.211 120.400 -0.012 0.000 2.032 175 K HA -0.069 4.251 4.320 0.000 0.000 0.209 175 K C 2.597 179.212 176.600 0.026 0.000 1.048 175 K CA 2.037 58.329 56.287 0.009 0.000 0.927 175 K CB -0.263 32.246 32.500 0.014 0.000 0.712 175 K HN 0.327 nan 8.250 nan 0.000 0.441 176 T N 0.679 115.255 114.554 0.037 0.000 2.777 176 T HA -0.101 4.249 4.350 0.000 0.000 0.266 176 T C 2.007 176.730 174.700 0.039 0.000 1.040 176 T CA 1.463 63.605 62.100 0.071 0.000 1.141 176 T CB -0.209 68.717 68.868 0.096 0.000 0.868 176 T HN 0.161 nan 8.240 nan 0.000 0.444 177 S N 1.647 117.348 115.700 0.001 0.000 2.380 177 S HA -0.117 4.353 4.470 0.000 0.000 0.229 177 S C 2.013 176.583 174.600 -0.050 0.000 1.043 177 S CA 0.960 59.127 58.200 -0.055 0.000 1.038 177 S CB -0.473 62.670 63.200 -0.096 0.000 0.872 177 S HN 0.340 nan 8.310 nan 0.000 0.456 178 I N 2.001 122.559 120.570 -0.021 0.000 2.194 178 I HA -0.219 3.951 4.170 0.000 0.000 0.246 178 I C 2.674 178.794 176.117 0.005 0.000 1.093 178 I CA 1.431 62.724 61.300 -0.012 0.000 1.355 178 I CB -1.793 36.208 38.000 0.002 0.000 1.046 178 I HN 0.280 nan 8.210 nan 0.000 0.413 179 A N 0.949 123.786 122.820 0.029 0.000 1.897 179 A HA -0.124 4.196 4.320 0.000 0.000 0.215 179 A C 2.202 179.813 177.584 0.045 0.000 1.181 179 A CA 1.046 53.117 52.037 0.058 0.000 0.620 179 A CB -0.462 18.616 19.000 0.129 0.000 0.821 179 A HN 0.247 nan 8.150 nan 0.000 0.443 180 I N 0.754 121.334 120.570 0.017 0.000 2.179 180 I HA -0.198 3.972 4.170 0.000 0.000 0.242 180 I C 1.808 177.936 176.117 0.018 0.000 1.088 180 I CA 1.616 62.913 61.300 -0.004 0.000 1.357 180 I CB -1.714 36.284 38.000 -0.003 0.000 1.051 180 I HN 0.248 nan 8.210 nan 0.000 0.409 181 D N 0.575 120.972 120.400 -0.005 0.000 2.149 181 D HA -0.148 4.493 4.640 0.000 0.000 0.198 181 D C 2.218 178.539 176.300 0.034 0.000 0.990 181 D CA 1.517 55.519 54.000 0.004 0.000 0.839 181 D CB -0.226 40.550 40.800 -0.040 0.000 0.948 181 D HN 0.234 nan 8.370 nan 0.000 0.460 182 T N 0.355 114.929 114.554 0.034 0.000 2.788 182 T HA -0.052 4.299 4.350 0.000 0.000 0.268 182 T C 2.074 176.824 174.700 0.084 0.000 1.044 182 T CA 0.540 62.670 62.100 0.051 0.000 1.139 182 T CB -0.107 68.781 68.868 0.033 0.000 0.867 182 T HN 0.179 nan 8.240 nan 0.000 0.454 183 I N 0.207 120.828 120.570 0.085 0.000 2.353 183 I HA -0.069 4.101 4.170 0.000 0.000 0.248 183 I C 2.163 178.399 176.117 0.198 0.000 1.119 183 I CA 1.181 62.560 61.300 0.133 0.000 1.417 183 I CB -0.310 37.726 38.000 0.059 0.000 1.078 183 I HN 0.225 nan 8.210 nan 0.000 0.421 184 I N 0.934 121.577 120.570 0.122 0.000 2.353 184 I HA -0.283 3.887 4.170 0.000 0.000 0.248 184 I C 2.250 178.439 176.117 0.119 0.000 1.119 184 I CA 1.321 62.698 61.300 0.129 0.000 1.417 184 I CB -0.352 37.702 38.000 0.090 0.000 1.078 184 I HN 0.271 nan 8.210 nan 0.000 0.421 185 N N 0.576 119.328 118.700 0.087 0.000 2.272 185 N HA -0.226 4.514 4.740 0.000 0.000 0.185 185 N C 1.746 177.271 175.510 0.025 0.000 1.014 185 N CA 1.068 54.145 53.050 0.045 0.000 0.870 185 N CB 0.085 38.615 38.487 0.071 0.000 0.975 185 N HN 0.186 nan 8.380 nan 0.000 0.433 186 Q N 0.378 120.245 119.800 0.111 0.000 2.439 186 Q HA -0.095 4.245 4.340 0.000 0.000 0.211 186 Q C 1.557 177.424 176.000 -0.221 0.000 0.978 186 Q CA 0.604 56.456 55.803 0.082 0.000 0.897 186 Q CB -0.200 28.551 28.738 0.022 0.000 0.956 186 Q HN 0.523 nan 8.270 nan 0.000 0.483 187 K N 1.014 121.306 120.400 -0.181 0.000 2.147 187 K HA -0.128 4.192 4.320 0.000 0.000 0.205 187 K C 1.881 178.297 176.600 -0.307 0.000 1.049 187 K CA 0.755 56.915 56.287 -0.213 0.000 0.936 187 K CB 0.134 32.636 32.500 0.003 0.000 0.722 187 K HN 0.128 nan 8.250 nan 0.000 0.446 188 R N -0.339 119.871 120.500 -0.484 0.000 2.115 188 R HA -0.202 4.138 4.340 0.000 0.000 0.239 188 R C 2.271 178.212 176.300 -0.599 0.000 1.133 188 R CA 2.447 58.142 56.100 -0.674 0.000 0.935 188 R CB -0.586 28.956 30.300 -1.263 0.000 0.853 188 R HN 0.228 nan 8.270 nan 0.000 0.433 189 F N 0.404 120.265 119.950 -0.149 0.000 2.234 189 F HA 0.014 4.541 4.527 0.000 0.000 0.296 189 F C 2.093 177.776 175.800 -0.195 0.000 1.089 189 F CA 0.392 58.300 58.000 -0.153 0.000 1.343 189 F CB -0.593 38.316 39.000 -0.151 0.000 1.040 189 F HN -0.065 nan 8.300 nan 0.000 0.498 190 N N 0.411 119.024 118.700 -0.146 0.000 2.244 190 N HA -0.140 4.600 4.740 0.000 0.000 0.183 190 N C 1.053 176.478 175.510 -0.141 0.000 1.016 190 N CA 1.339 54.236 53.050 -0.256 0.000 0.866 190 N CB -0.486 37.629 38.487 -0.620 0.000 0.980 190 N HN 0.245 nan 8.380 nan 0.000 0.430 191 D N -0.070 120.251 120.400 -0.131 0.000 2.355 191 D HA 0.075 4.715 4.640 0.000 0.000 0.218 191 D C 1.159 177.430 176.300 -0.049 0.000 1.004 191 D CA 0.186 54.146 54.000 -0.067 0.000 0.880 191 D CB -0.178 40.586 40.800 -0.060 0.000 0.911 191 D HN 0.148 nan 8.370 nan 0.000 0.528 192 G N -0.619 108.150 108.800 -0.052 0.000 2.588 192 G HA2 0.205 4.165 3.960 0.000 0.000 0.278 192 G HA3 0.205 4.165 3.960 0.000 0.000 0.278 192 G C 1.049 175.948 174.900 -0.001 0.000 1.307 192 G CA -0.107 44.980 45.100 -0.023 0.000 1.016 192 G HN -0.009 nan 8.290 nan 0.000 0.503 193 T N -0.355 114.204 114.554 0.008 0.000 2.781 193 T HA -0.004 4.346 4.350 0.000 0.000 0.252 193 T C 0.902 175.615 174.700 0.021 0.000 1.039 193 T CA 0.848 62.956 62.100 0.014 0.000 1.147 193 T CB -0.267 68.607 68.868 0.011 0.000 0.865 193 T HN 0.497 nan 8.240 nan 0.000 0.423 194 D N 1.617 122.032 120.400 0.026 0.000 2.472 194 D HA -0.002 4.638 4.640 0.000 0.000 0.248 194 D C 0.730 177.046 176.300 0.026 0.000 1.174 194 D CA 0.229 54.246 54.000 0.028 0.000 0.883 194 D CB 0.953 41.773 40.800 0.034 0.000 1.149 194 D HN 0.124 nan 8.370 nan 0.000 0.488 195 E N 2.530 122.744 120.200 0.024 0.000 2.299 195 E HA -0.032 4.318 4.350 0.000 0.000 0.193 195 E C 1.521 178.121 176.600 0.001 0.000 0.998 195 E CA 0.679 57.094 56.400 0.026 0.000 0.851 195 E CB 0.259 29.985 29.700 0.042 0.000 0.795 195 E HN 0.474 nan 8.360 nan 0.000 0.492 196 K N 0.185 120.588 120.400 0.005 0.000 2.103 196 K HA -0.038 4.282 4.320 0.000 0.000 0.204 196 K C 1.814 178.474 176.600 0.100 0.000 1.052 196 K CA 0.862 57.161 56.287 0.019 0.000 0.945 196 K CB 0.043 32.572 32.500 0.049 0.000 0.722 196 K HN -0.048 nan 8.250 nan 0.000 0.443 197 K N 1.350 121.765 120.400 0.026 0.000 2.296 197 K HA -0.003 4.318 4.320 0.000 0.000 0.200 197 K C 0.215 176.747 176.600 -0.113 0.000 1.048 197 K CA 0.447 56.694 56.287 -0.067 0.000 0.966 197 K CB 0.162 32.625 32.500 -0.062 0.000 0.754 197 K HN 0.088 nan 8.250 nan 0.000 0.466 198 K N 1.200 121.562 120.400 -0.064 0.000 2.414 198 K HA 0.032 4.352 4.320 0.000 0.000 0.272 198 K C -0.570 175.864 176.600 -0.277 0.000 0.993 198 K CA 0.022 56.189 56.287 -0.200 0.000 0.964 198 K CB 0.463 32.801 32.500 -0.271 0.000 0.925 198 K HN -0.134 nan 8.250 nan 0.000 0.487 199 L N 4.158 125.124 121.223 -0.429 0.000 2.457 199 L HA 0.279 4.619 4.340 0.000 0.000 0.266 199 L C -1.649 174.952 176.870 -0.448 0.000 0.979 199 L CA -0.409 54.227 54.840 -0.340 0.000 0.857 199 L CB 0.720 42.667 42.059 -0.187 0.000 1.213 199 L HN 0.425 nan 8.230 nan 0.000 0.418 200 Y N 3.149 123.354 120.300 -0.159 0.000 2.319 200 Y HA 0.448 4.998 4.550 0.000 0.000 0.328 200 Y C 0.605 176.383 175.900 -0.204 0.000 1.133 200 Y CA -0.138 57.819 58.100 -0.239 0.000 1.265 200 Y CB 0.812 38.803 38.460 -0.783 0.000 1.218 200 Y HN 0.489 nan 8.280 nan 0.000 0.508 201 C N 4.636 123.989 119.300 0.089 0.000 2.397 201 C HA 0.734 5.194 4.460 0.000 0.000 0.343 201 C C 0.001 175.003 174.990 0.020 0.000 1.188 201 C CA -1.139 57.906 59.018 0.046 0.000 1.992 201 C CB 0.361 28.166 27.740 0.108 0.000 2.358 201 C HN 0.657 nan 8.230 nan 0.000 0.518 202 I N 1.637 122.209 120.570 0.003 0.000 2.533 202 I HA 0.314 4.484 4.170 0.000 0.000 0.290 202 I C -1.308 174.825 176.117 0.028 0.000 1.056 202 I CA -0.498 60.813 61.300 0.017 0.000 1.057 202 I CB 1.532 39.532 38.000 0.001 0.000 1.240 202 I HN 0.647 nan 8.210 nan 0.000 0.423 203 Y N 6.643 126.904 120.300 -0.064 0.000 2.338 203 Y HA 0.569 5.119 4.550 0.000 0.000 0.328 203 Y C -1.121 174.755 175.900 -0.040 0.000 0.965 203 Y CA -0.720 57.339 58.100 -0.067 0.000 1.208 203 Y CB 1.368 39.797 38.460 -0.051 0.000 1.132 203 Y HN 0.256 nan 8.280 nan 0.000 0.469 204 V N 6.440 126.074 119.914 -0.467 0.000 2.364 204 V HA 0.655 4.775 4.120 0.000 0.000 0.272 204 V C 0.208 176.048 176.094 -0.423 0.000 1.036 204 V CA -0.514 61.611 62.300 -0.293 0.000 0.880 204 V CB 0.701 32.456 31.823 -0.112 0.000 0.991 204 V HN 0.906 nan 8.190 nan 0.000 0.460 205 A N 6.971 129.680 122.820 -0.185 0.000 2.309 205 A HA 0.868 5.188 4.320 0.000 0.000 0.298 205 A C -0.473 177.091 177.584 -0.033 0.000 1.165 205 A CA -0.382 51.607 52.037 -0.080 0.000 0.821 205 A CB 0.291 19.353 19.000 0.103 0.000 1.102 205 A HN 0.806 nan 8.150 nan 0.000 0.500 206 I N 1.950 122.507 120.570 -0.021 0.000 2.497 206 I HA 0.505 4.675 4.170 0.000 0.000 0.284 206 I C 1.030 177.170 176.117 0.038 0.000 1.060 206 I CA 0.043 61.349 61.300 0.010 0.000 1.071 206 I CB 1.695 39.692 38.000 -0.005 0.000 1.216 206 I HN 1.009 nan 8.210 nan 0.000 0.442 207 G N 3.856 112.688 108.800 0.055 0.000 2.184 207 G HA2 -0.314 3.646 3.960 0.000 0.000 0.264 207 G HA3 -0.314 3.646 3.960 0.000 0.000 0.264 207 G C 0.375 175.309 174.900 0.056 0.000 0.975 207 G CA 0.518 45.655 45.100 0.062 0.000 0.642 207 G HN 0.631 nan 8.290 nan 0.000 0.536 208 Q N 0.118 119.951 119.800 0.055 0.000 2.841 208 Q HA 0.486 4.826 4.340 0.000 0.000 0.198 208 Q C 0.656 176.690 176.000 0.057 0.000 1.135 208 Q CA 0.364 56.203 55.803 0.060 0.000 1.167 208 Q CB 0.249 29.033 28.738 0.077 0.000 1.288 208 Q HN 0.368 nan 8.270 nan 0.000 0.670 209 K N 0.264 120.697 120.400 0.056 0.000 2.159 209 K HA 0.193 4.513 4.320 0.000 0.000 0.266 209 K C 0.606 177.234 176.600 0.047 0.000 0.975 209 K CA -0.344 55.971 56.287 0.047 0.000 0.865 209 K CB 0.829 33.354 32.500 0.041 0.000 1.087 209 K HN 0.527 nan 8.250 nan 0.000 0.446 210 R N 0.597 121.121 120.500 0.041 0.000 2.103 210 R HA -0.173 4.167 4.340 0.000 0.000 0.242 210 R C 1.950 178.268 176.300 0.031 0.000 1.142 210 R CA 2.508 58.631 56.100 0.037 0.000 0.960 210 R CB -0.145 30.174 30.300 0.031 0.000 0.858 210 R HN 0.778 nan 8.270 nan 0.000 0.439 211 S N -0.690 115.026 115.700 0.027 0.000 2.399 211 S HA -0.107 4.363 4.470 0.000 0.000 0.231 211 S C 1.925 176.537 174.600 0.021 0.000 1.022 211 S CA 1.627 59.840 58.200 0.021 0.000 0.983 211 S CB -0.383 62.827 63.200 0.018 0.000 0.803 211 S HN 0.230 nan 8.310 nan 0.000 0.480 212 T N 2.376 116.947 114.554 0.030 0.000 2.777 212 T HA -0.007 4.343 4.350 0.000 0.000 0.266 212 T C 1.920 176.638 174.700 0.030 0.000 1.040 212 T CA 1.379 63.498 62.100 0.033 0.000 1.141 212 T CB -0.512 68.384 68.868 0.047 0.000 0.868 212 T HN 0.287 nan 8.240 nan 0.000 0.444 213 V N 1.741 121.682 119.914 0.044 0.000 2.307 213 V HA -0.145 3.975 4.120 0.000 0.000 0.245 213 V C 2.900 178.999 176.094 0.009 0.000 1.045 213 V CA 1.657 63.985 62.300 0.047 0.000 1.024 213 V CB -1.234 30.638 31.823 0.081 0.000 0.651 213 V HN 0.512 nan 8.190 nan 0.000 0.449 214 A N -0.658 122.168 122.820 0.011 0.000 1.940 214 A HA -0.262 4.058 4.320 0.000 0.000 0.219 214 A C 2.198 179.772 177.584 -0.017 0.000 1.176 214 A CA 1.732 53.767 52.037 -0.002 0.000 0.631 214 A CB -0.434 18.568 19.000 0.003 0.000 0.814 214 A HN 0.568 nan 8.150 nan 0.000 0.446 215 Q N -0.605 119.188 119.800 -0.012 0.000 2.050 215 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 215 Q C 2.191 178.166 176.000 -0.042 0.000 0.980 215 Q CA 1.094 56.886 55.803 -0.020 0.000 0.840 215 Q CB -0.716 28.019 28.738 -0.005 0.000 0.898 215 Q HN 0.618 nan 8.270 nan 0.000 0.424 216 L N 1.205 122.395 121.223 -0.055 0.000 2.013 216 L HA -0.143 4.197 4.340 0.000 0.000 0.212 216 L C 2.380 179.165 176.870 -0.141 0.000 1.073 216 L CA 1.987 56.756 54.840 -0.119 0.000 0.753 216 L CB -0.848 41.111 42.059 -0.167 0.000 0.890 216 L HN 0.216 nan 8.230 nan 0.000 0.432 217 V N -1.551 118.299 119.914 -0.105 0.000 2.970 217 V HA -0.195 3.925 4.120 0.000 0.000 0.260 217 V C 2.525 178.570 176.094 -0.082 0.000 1.100 217 V CA 1.704 63.945 62.300 -0.098 0.000 1.122 217 V CB -0.524 31.259 31.823 -0.066 0.000 0.721 217 V HN 0.484 nan 8.190 nan 0.000 0.483 218 K N 0.530 120.889 120.400 -0.068 0.000 1.984 218 K HA -0.210 4.111 4.320 0.000 0.000 0.209 218 K C 2.513 179.068 176.600 -0.075 0.000 1.046 218 K CA 1.726 57.976 56.287 -0.061 0.000 0.934 218 K CB -0.344 32.126 32.500 -0.050 0.000 0.717 218 K HN 0.468 nan 8.250 nan 0.000 0.438 219 R N 0.741 121.193 120.500 -0.081 0.000 2.113 219 R HA -0.151 4.189 4.340 0.000 0.000 0.244 219 R C 2.420 178.666 176.300 -0.090 0.000 1.142 219 R CA 1.803 57.849 56.100 -0.091 0.000 0.953 219 R CB -0.366 29.890 30.300 -0.073 0.000 0.860 219 R HN 0.254 nan 8.270 nan 0.000 0.438 220 L N -0.419 120.741 121.223 -0.105 0.000 2.012 220 L HA -0.216 4.124 4.340 0.000 0.000 0.210 220 L C 2.418 179.217 176.870 -0.118 0.000 1.073 220 L CA 1.955 56.719 54.840 -0.126 0.000 0.748 220 L CB -0.785 41.173 42.059 -0.169 0.000 0.891 220 L HN 0.365 nan 8.230 nan 0.000 0.431 221 T N -1.032 113.463 114.554 -0.099 0.000 2.674 221 T HA -0.194 4.156 4.350 0.000 0.000 0.265 221 T C 1.450 176.109 174.700 -0.067 0.000 1.039 221 T CA 1.570 63.622 62.100 -0.080 0.000 1.150 221 T CB -0.347 68.484 68.868 -0.063 0.000 0.864 221 T HN 0.285 nan 8.240 nan 0.000 0.427 222 D N 1.412 121.771 120.400 -0.068 0.000 2.228 222 D HA -0.032 4.608 4.640 0.000 0.000 0.203 222 D C 1.950 178.216 176.300 -0.057 0.000 0.988 222 D CA 1.043 55.005 54.000 -0.063 0.000 0.864 222 D CB -0.297 40.456 40.800 -0.078 0.000 0.928 222 D HN 0.472 nan 8.370 nan 0.000 0.469 223 A N -0.086 122.699 122.820 -0.058 0.000 2.275 223 A HA 0.048 4.368 4.320 0.000 0.000 0.212 223 A C 0.502 178.076 177.584 -0.016 0.000 1.201 223 A CA 0.467 52.483 52.037 -0.035 0.000 0.843 223 A CB 0.221 19.207 19.000 -0.023 0.000 0.873 223 A HN 0.039 nan 8.150 nan 0.000 0.492 224 D N -2.827 117.552 120.400 -0.036 0.000 2.775 224 D HA -0.178 4.463 4.640 0.000 0.000 0.235 224 D C 0.611 176.894 176.300 -0.028 0.000 1.120 224 D CA 1.012 55.002 54.000 -0.017 0.000 0.708 224 D CB -1.308 39.505 40.800 0.022 0.000 1.084 224 D HN 0.513 nan 8.370 nan 0.000 0.434 225 A N -0.515 122.194 122.820 -0.185 0.000 2.324 225 A HA 0.182 4.502 4.320 0.000 0.000 0.220 225 A C 2.072 179.202 177.584 -0.757 0.000 1.209 225 A CA 0.230 51.913 52.037 -0.589 0.000 0.918 225 A CB 0.061 18.827 19.000 -0.389 0.000 0.959 225 A HN 0.271 nan 8.150 nan 0.000 0.507 226 M N 1.316 120.705 119.600 -0.351 0.000 2.213 226 M HA -0.172 4.308 4.480 0.000 0.000 0.263 226 M C 2.064 178.249 176.300 -0.191 0.000 1.062 226 M CA 1.952 57.106 55.300 -0.243 0.000 1.105 226 M CB -0.966 31.557 32.600 -0.127 0.000 1.385 226 M HN 0.698 nan 8.290 nan 0.000 0.417 227 K N 0.674 120.991 120.400 -0.138 0.000 2.127 227 K HA -0.215 4.105 4.320 0.000 0.000 0.208 227 K C 1.327 178.001 176.600 0.125 0.000 1.047 227 K CA 2.196 58.499 56.287 0.026 0.000 0.927 227 K CB -1.017 31.551 32.500 0.114 0.000 0.716 227 K HN 0.528 nan 8.250 nan 0.000 0.450 228 Y N 0.221 120.572 120.300 0.084 0.000 2.485 228 Y HA 0.426 4.976 4.550 0.000 0.000 0.260 228 Y C -0.257 175.706 175.900 0.105 0.000 1.173 228 Y CA -0.893 57.289 58.100 0.137 0.000 1.252 228 Y CB 0.014 38.520 38.460 0.077 0.000 1.123 228 Y HN -0.199 nan 8.280 nan 0.000 0.524 229 T N 2.535 117.036 114.554 -0.088 0.000 2.888 229 T HA 0.627 4.977 4.350 0.000 0.000 0.284 229 T C -0.470 174.237 174.700 0.011 0.000 1.017 229 T CA -0.499 61.571 62.100 -0.050 0.000 1.022 229 T CB 2.007 70.778 68.868 -0.162 0.000 1.013 229 T HN 0.108 nan 8.240 nan 0.000 0.465 230 I N 1.617 122.215 120.570 0.046 0.000 2.530 230 I HA 0.588 4.758 4.170 0.000 0.000 0.297 230 I C -0.798 175.359 176.117 0.067 0.000 1.011 230 I CA -1.184 60.152 61.300 0.060 0.000 1.107 230 I CB 2.062 40.113 38.000 0.086 0.000 1.285 230 I HN 0.225 nan 8.210 nan 0.000 0.436 231 V N 6.317 126.270 119.914 0.065 0.000 2.380 231 V HA 0.264 4.384 4.120 0.000 0.000 0.286 231 V C -0.189 175.953 176.094 0.080 0.000 1.015 231 V CA -0.650 61.713 62.300 0.105 0.000 0.834 231 V CB 1.824 33.711 31.823 0.106 0.000 1.009 231 V HN 0.416 nan 8.190 nan 0.000 0.428 232 V N 3.804 123.758 119.914 0.066 0.000 2.385 232 V HA 0.441 4.561 4.120 0.000 0.000 0.269 232 V C 0.473 176.590 176.094 0.038 0.000 1.043 232 V CA 0.058 62.380 62.300 0.037 0.000 0.906 232 V CB 1.454 33.287 31.823 0.017 0.000 0.995 232 V HN 0.795 nan 8.190 nan 0.000 0.467 233 S N 3.785 119.510 115.700 0.041 0.000 2.478 233 S HA 0.782 5.252 4.470 0.000 0.000 0.312 233 S C -0.118 174.504 174.600 0.036 0.000 1.094 233 S CA -0.197 58.032 58.200 0.048 0.000 1.081 233 S CB 1.214 64.451 63.200 0.062 0.000 1.007 233 S HN 1.046 nan 8.310 nan 0.000 0.475 234 A N 4.061 126.903 122.820 0.037 0.000 2.943 234 A HA 0.562 4.882 4.320 0.000 0.000 0.327 234 A C 0.287 177.903 177.584 0.053 0.000 1.141 234 A CA -0.708 51.356 52.037 0.045 0.000 0.773 234 A CB -0.011 19.016 19.000 0.045 0.000 1.143 234 A HN 0.773 nan 8.150 nan 0.000 0.463 235 T N -1.239 113.348 114.554 0.055 0.000 2.788 235 T HA 0.545 4.895 4.350 0.000 0.000 0.280 235 T C 1.704 176.438 174.700 0.057 0.000 0.984 235 T CA 0.029 62.162 62.100 0.055 0.000 0.972 235 T CB 1.029 69.929 68.868 0.052 0.000 1.039 235 T HN 1.245 nan 8.240 nan 0.000 0.530 236 A N 1.176 124.028 122.820 0.054 0.000 1.954 236 A HA -0.196 4.124 4.320 0.000 0.000 0.222 236 A C 2.441 180.055 177.584 0.049 0.000 1.199 236 A CA 2.742 54.810 52.037 0.051 0.000 0.657 236 A CB -1.603 17.424 19.000 0.045 0.000 0.823 236 A HN 1.173 nan 8.150 nan 0.000 0.463 237 S N -0.981 114.746 115.700 0.046 0.000 2.548 237 S HA 0.087 4.558 4.470 0.000 0.000 0.215 237 S C 0.149 174.779 174.600 0.050 0.000 0.976 237 S CA -0.093 58.133 58.200 0.043 0.000 0.908 237 S CB -0.183 63.038 63.200 0.035 0.000 0.781 237 S HN 0.464 nan 8.310 nan 0.000 0.519 238 D N 2.905 123.341 120.400 0.060 0.000 2.399 238 D HA 0.466 5.106 4.640 0.000 0.000 0.241 238 D C 0.492 176.845 176.300 0.088 0.000 1.133 238 D CA 0.303 54.347 54.000 0.074 0.000 0.890 238 D CB 0.967 41.814 40.800 0.079 0.000 1.201 238 D HN 0.423 nan 8.370 nan 0.000 0.432 239 A N 1.496 124.377 122.820 0.102 0.000 2.547 239 A HA 0.284 4.604 4.320 0.000 0.000 0.233 239 A C 1.463 179.130 177.584 0.139 0.000 1.067 239 A CA 0.486 52.587 52.037 0.107 0.000 0.763 239 A CB 0.165 19.237 19.000 0.121 0.000 1.007 239 A HN 0.634 nan 8.150 nan 0.000 0.506 240 A N 2.861 125.750 122.820 0.115 0.000 1.927 240 A HA -0.097 4.223 4.320 0.000 0.000 0.220 240 A C -0.131 177.596 177.584 0.238 0.000 1.185 240 A CA 2.179 54.302 52.037 0.142 0.000 0.639 240 A CB -1.699 17.353 19.000 0.087 0.000 0.820 240 A HN 0.650 nan 8.150 nan 0.000 0.451 241 P HA -0.105 nan 4.420 nan 0.000 0.218 241 P C 1.461 179.111 177.300 0.583 0.000 1.149 241 P CA 0.834 64.205 63.100 0.452 0.000 0.817 241 P CB -0.178 31.693 31.700 0.284 0.000 0.785 242 L N -0.791 120.680 121.223 0.414 0.000 2.027 242 L HA -0.181 4.159 4.340 0.000 0.000 0.206 242 L C 2.757 179.738 176.870 0.186 0.000 1.074 242 L CA 1.550 56.542 54.840 0.252 0.000 0.745 242 L CB -1.092 41.072 42.059 0.174 0.000 0.898 242 L HN -0.021 nan 8.230 nan 0.000 0.433 243 Q N -0.917 119.002 119.800 0.198 0.000 2.096 243 Q HA -0.275 4.065 4.340 0.000 0.000 0.204 243 Q C 2.146 178.260 176.000 0.190 0.000 0.982 243 Q CA 2.149 58.048 55.803 0.160 0.000 0.850 243 Q CB -0.382 28.452 28.738 0.160 0.000 0.901 243 Q HN 0.520 nan 8.270 nan 0.000 0.422 244 Y N 1.022 121.422 120.300 0.166 0.000 2.145 244 Y HA -0.235 4.315 4.550 0.000 0.000 0.286 244 Y C 1.977 178.020 175.900 0.237 0.000 1.145 244 Y CA 1.283 59.505 58.100 0.204 0.000 1.148 244 Y CB -0.326 38.285 38.460 0.251 0.000 0.981 244 Y HN 0.060 nan 8.280 nan 0.000 0.507 245 L N 0.703 121.909 121.223 -0.029 0.000 2.072 245 L HA 0.003 4.343 4.340 0.000 0.000 0.205 245 L C 2.644 179.485 176.870 -0.047 0.000 1.079 245 L CA 1.812 56.588 54.840 -0.106 0.000 0.752 245 L CB -1.287 40.764 42.059 -0.013 0.000 0.906 245 L HN 0.346 nan 8.230 nan 0.000 0.436 246 A N 0.536 123.331 122.820 -0.042 0.000 1.916 246 A HA -0.313 4.007 4.320 0.000 0.000 0.224 246 A C -0.007 177.514 177.584 -0.105 0.000 1.366 246 A CA 2.900 54.905 52.037 -0.053 0.000 0.692 246 A CB -2.546 16.441 19.000 -0.022 0.000 0.841 246 A HN 0.460 nan 8.150 nan 0.000 0.480 247 P HA -0.150 nan 4.420 nan 0.000 0.215 247 P C 1.094 178.141 177.300 -0.422 0.000 1.153 247 P CA 1.613 64.478 63.100 -0.392 0.000 0.853 247 P CB -0.338 30.898 31.700 -0.774 0.000 0.788 248 Y N 0.011 120.178 120.300 -0.222 0.000 2.224 248 Y HA -0.132 4.418 4.550 0.000 0.000 0.289 248 Y C 2.738 178.586 175.900 -0.087 0.000 1.146 248 Y CA 1.409 59.402 58.100 -0.178 0.000 1.182 248 Y CB -1.537 36.779 38.460 -0.239 0.000 0.983 248 Y HN -0.075 nan 8.280 nan 0.000 0.524 249 S N -0.065 115.662 115.700 0.045 0.000 2.351 249 S HA -0.198 4.272 4.470 0.000 0.000 0.220 249 S C 2.484 177.108 174.600 0.040 0.000 1.035 249 S CA 1.409 59.622 58.200 0.022 0.000 1.031 249 S CB -1.159 62.031 63.200 -0.017 0.000 0.928 249 S HN 0.656 nan 8.310 nan 0.000 0.433 250 G N -0.004 108.821 108.800 0.041 0.000 2.450 250 G HA2 -0.290 3.670 3.960 0.000 0.000 0.220 250 G HA3 -0.290 3.670 3.960 0.000 0.000 0.220 250 G C 1.712 176.680 174.900 0.113 0.000 1.130 250 G CA 1.143 46.285 45.100 0.072 0.000 0.760 250 G HN 0.583 nan 8.290 nan 0.000 0.557 251 C N 0.428 119.810 119.300 0.136 0.000 2.432 251 C HA -0.026 4.434 4.460 0.000 0.000 0.277 251 C C 3.296 178.366 174.990 0.133 0.000 1.249 251 C CA 1.718 60.830 59.018 0.156 0.000 1.725 251 C CB -0.948 26.860 27.740 0.112 0.000 2.028 251 C HN 0.383 nan 8.230 nan 0.000 0.477 252 S N 0.458 116.223 115.700 0.109 0.000 2.382 252 S HA -0.168 4.302 4.470 0.000 0.000 0.228 252 S C 1.720 176.395 174.600 0.125 0.000 1.027 252 S CA 1.972 60.232 58.200 0.100 0.000 0.991 252 S CB -0.352 62.889 63.200 0.068 0.000 0.823 252 S HN 0.652 nan 8.310 nan 0.000 0.469 253 M N 0.681 120.357 119.600 0.126 0.000 2.175 253 M HA -0.024 4.456 4.480 0.000 0.000 0.264 253 M C 2.452 178.942 176.300 0.316 0.000 1.063 253 M CA 1.446 56.839 55.300 0.156 0.000 1.119 253 M CB -0.747 31.929 32.600 0.127 0.000 1.377 253 M HN 0.434 nan 8.290 nan 0.000 0.415 254 G N 0.296 109.273 108.800 0.295 0.000 2.448 254 G HA2 -0.136 3.825 3.960 0.000 0.000 0.218 254 G HA3 -0.136 3.825 3.960 0.000 0.000 0.218 254 G C 1.272 176.392 174.900 0.366 0.000 1.135 254 G CA 0.338 45.663 45.100 0.375 0.000 0.784 254 G HN 0.511 nan 8.290 nan 0.000 0.543 255 E N -0.503 119.842 120.200 0.241 0.000 2.204 255 E HA -0.131 4.220 4.350 0.000 0.000 0.194 255 E C 1.887 178.576 176.600 0.149 0.000 0.989 255 E CA 0.565 57.069 56.400 0.172 0.000 0.824 255 E CB -0.253 29.515 29.700 0.114 0.000 0.756 255 E HN 0.604 nan 8.360 nan 0.000 0.477 256 Y N 0.951 121.269 120.300 0.030 0.000 2.081 256 Y HA -0.321 4.229 4.550 0.000 0.000 0.280 256 Y C 1.716 177.518 175.900 -0.163 0.000 1.163 256 Y CA 1.769 59.789 58.100 -0.134 0.000 1.135 256 Y CB -0.390 37.889 38.460 -0.303 0.000 0.970 256 Y HN -0.075 nan 8.280 nan 0.000 0.498 257 F N 0.214 120.218 119.950 0.089 0.000 2.113 257 F HA -0.124 4.403 4.527 0.000 0.000 0.297 257 F C 2.814 178.592 175.800 -0.036 0.000 1.103 257 F CA 1.857 59.853 58.000 -0.006 0.000 1.248 257 F CB -0.854 38.238 39.000 0.154 0.000 0.999 257 F HN -0.076 nan 8.300 nan 0.000 0.475 258 R N 0.689 121.330 120.500 0.235 0.000 2.103 258 R HA -0.198 4.142 4.340 0.000 0.000 0.242 258 R C 1.392 177.733 176.300 0.068 0.000 1.142 258 R CA 2.185 58.377 56.100 0.153 0.000 0.960 258 R CB -0.529 29.856 30.300 0.141 0.000 0.858 258 R HN 0.194 nan 8.270 nan 0.000 0.439 259 D N -0.116 120.287 120.400 0.005 0.000 2.347 259 D HA -0.043 4.597 4.640 0.000 0.000 0.215 259 D C 0.129 176.384 176.300 -0.076 0.000 0.976 259 D CA 0.848 54.839 54.000 -0.016 0.000 0.884 259 D CB -0.085 40.701 40.800 -0.023 0.000 0.915 259 D HN 0.418 nan 8.370 nan 0.000 0.526 260 N N -0.488 118.112 118.700 -0.166 0.000 2.458 260 N HA 0.267 5.007 4.740 0.000 0.000 0.274 260 N C 0.736 176.175 175.510 -0.118 0.000 1.242 260 N CA -0.083 52.843 53.050 -0.207 0.000 0.904 260 N CB 1.202 39.424 38.487 -0.441 0.000 1.206 260 N HN -0.051 nan 8.380 nan 0.000 0.510 261 G N 0.741 109.510 108.800 -0.052 0.000 2.212 261 G HA2 -0.358 3.602 3.960 0.000 0.000 0.267 261 G HA3 -0.358 3.602 3.960 0.000 0.000 0.267 261 G C 0.230 175.051 174.900 -0.131 0.000 1.002 261 G CA 0.861 45.928 45.100 -0.055 0.000 0.729 261 G HN 0.337 nan 8.290 nan 0.000 0.517 262 K N -1.045 119.317 120.400 -0.064 0.000 2.267 262 K HA 0.715 5.035 4.320 0.000 0.000 0.236 262 K C -0.070 176.532 176.600 0.002 0.000 1.030 262 K CA -0.792 55.489 56.287 -0.009 0.000 0.930 262 K CB 0.887 33.560 32.500 0.287 0.000 1.182 262 K HN 0.451 nan 8.250 nan 0.000 0.474 263 H N -0.657 118.569 119.070 0.260 0.000 2.609 263 H HA 0.563 5.119 4.556 0.000 0.000 0.344 263 H C -1.236 174.146 175.328 0.090 0.000 1.040 263 H CA -1.058 55.063 56.048 0.121 0.000 1.216 263 H CB 1.953 31.714 29.762 -0.002 0.000 1.529 263 H HN 0.579 nan 8.280 nan 0.000 0.519 264 A N 2.888 125.812 122.820 0.173 0.000 2.423 264 A HA 0.652 4.972 4.320 0.000 0.000 0.304 264 A C -1.631 175.945 177.584 -0.012 0.000 1.104 264 A CA -0.676 51.366 52.037 0.008 0.000 0.757 264 A CB 1.490 20.487 19.000 -0.005 0.000 1.313 264 A HN 0.513 nan 8.150 nan 0.000 0.423 265 L N 1.747 122.939 121.223 -0.052 0.000 2.376 265 L HA 0.776 5.116 4.340 0.000 0.000 0.275 265 L C -1.217 175.594 176.870 -0.100 0.000 0.987 265 L CA -0.336 54.465 54.840 -0.065 0.000 0.828 265 L CB 1.307 43.337 42.059 -0.047 0.000 1.249 265 L HN 0.698 nan 8.230 nan 0.000 0.409 266 I N 5.208 125.670 120.570 -0.181 0.000 2.465 266 I HA 0.539 4.709 4.170 0.000 0.000 0.291 266 I C -1.312 174.494 176.117 -0.519 0.000 1.014 266 I CA -0.682 60.416 61.300 -0.337 0.000 1.093 266 I CB 1.494 39.256 38.000 -0.397 0.000 1.267 266 I HN 0.603 nan 8.210 nan 0.000 0.431 267 I N 8.362 128.659 120.570 -0.454 0.000 2.339 267 I HA 0.227 4.398 4.170 0.000 0.000 0.290 267 I C -1.041 174.731 176.117 -0.575 0.000 0.994 267 I CA -0.166 60.884 61.300 -0.417 0.000 1.191 267 I CB 0.928 38.844 38.000 -0.141 0.000 1.343 267 I HN 0.314 nan 8.210 nan 0.000 0.458 268 Y N 3.977 124.141 120.300 -0.226 0.000 2.804 268 Y HA 0.375 4.925 4.550 0.000 0.000 0.330 268 Y C 0.057 175.803 175.900 -0.258 0.000 1.092 268 Y CA -1.024 56.916 58.100 -0.267 0.000 1.315 268 Y CB 0.142 38.447 38.460 -0.258 0.000 1.188 268 Y HN 0.406 nan 8.280 nan 0.000 0.512 269 D N 3.238 123.504 120.400 -0.224 0.000 2.467 269 D HA 0.209 4.849 4.640 0.000 0.000 0.220 269 D C -1.041 175.199 176.300 -0.100 0.000 1.103 269 D CA -0.327 53.572 54.000 -0.168 0.000 0.886 269 D CB 0.340 40.989 40.800 -0.252 0.000 1.025 269 D HN 0.575 nan 8.370 nan 0.000 0.514 270 D N 0.822 121.197 120.400 -0.041 0.000 2.523 270 D HA 0.220 4.860 4.640 0.000 0.000 0.236 270 D C 0.932 177.204 176.300 -0.047 0.000 1.094 270 D CA -0.745 53.234 54.000 -0.036 0.000 0.942 270 D CB 0.986 41.781 40.800 -0.008 0.000 1.447 270 D HN 0.119 nan 8.370 nan 0.000 0.479 271 L N 0.246 121.408 121.223 -0.103 0.000 2.610 271 L HA 0.014 4.354 4.340 0.000 0.000 0.232 271 L C 1.605 178.472 176.870 -0.005 0.000 1.149 271 L CA 0.322 55.051 54.840 -0.185 0.000 0.872 271 L CB -0.311 41.393 42.059 -0.591 0.000 0.992 271 L HN 0.372 nan 8.230 nan 0.000 0.447 272 S N 0.155 115.872 115.700 0.029 0.000 2.362 272 S HA -0.087 4.383 4.470 0.000 0.000 0.221 272 S C 1.915 176.598 174.600 0.138 0.000 1.032 272 S CA 1.026 59.282 58.200 0.094 0.000 0.973 272 S CB 0.098 63.343 63.200 0.076 0.000 0.849 272 S HN 0.397 nan 8.310 nan 0.000 0.465 273 K N 1.134 121.597 120.400 0.105 0.000 2.211 273 K HA -0.038 4.282 4.320 0.000 0.000 0.203 273 K C 2.326 179.016 176.600 0.151 0.000 1.050 273 K CA 0.688 57.046 56.287 0.118 0.000 0.945 273 K CB -0.102 32.449 32.500 0.084 0.000 0.732 273 K HN 0.324 nan 8.250 nan 0.000 0.451 274 Q N 0.942 120.828 119.800 0.145 0.000 2.079 274 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 274 Q C 2.130 178.309 176.000 0.298 0.000 0.974 274 Q CA 1.417 57.334 55.803 0.190 0.000 0.840 274 Q CB -0.063 28.739 28.738 0.108 0.000 0.898 274 Q HN 0.316 nan 8.270 nan 0.000 0.430 275 A N 0.236 123.244 122.820 0.312 0.000 1.883 275 A HA -0.160 4.160 4.320 0.000 0.000 0.217 275 A C 2.272 180.129 177.584 0.455 0.000 1.186 275 A CA 1.660 53.909 52.037 0.353 0.000 0.624 275 A CB -0.925 18.177 19.000 0.171 0.000 0.822 275 A HN 0.294 nan 8.150 nan 0.000 0.444 276 V N -0.148 119.994 119.914 0.380 0.000 2.282 276 V HA -0.316 3.804 4.120 0.000 0.000 0.249 276 V C 3.072 179.283 176.094 0.194 0.000 1.057 276 V CA 2.147 64.608 62.300 0.268 0.000 1.032 276 V CB -1.245 30.686 31.823 0.181 0.000 0.645 276 V HN 0.655 nan 8.190 nan 0.000 0.447 277 A N -0.961 121.992 122.820 0.223 0.000 1.883 277 A HA -0.296 4.024 4.320 0.000 0.000 0.217 277 A C 2.171 179.893 177.584 0.229 0.000 1.186 277 A CA 2.276 54.439 52.037 0.210 0.000 0.624 277 A CB -0.848 18.304 19.000 0.252 0.000 0.822 277 A HN 0.635 nan 8.150 nan 0.000 0.444 278 Y N 0.697 121.104 120.300 0.179 0.000 2.097 278 Y HA -0.275 4.275 4.550 0.000 0.000 0.282 278 Y C 2.513 178.444 175.900 0.051 0.000 1.152 278 Y CA 2.256 60.418 58.100 0.104 0.000 1.136 278 Y CB -0.700 37.879 38.460 0.198 0.000 0.975 278 Y HN 0.373 nan 8.280 nan 0.000 0.498 279 R N 0.361 120.847 120.500 -0.024 0.000 2.119 279 R HA -0.306 4.034 4.340 0.000 0.000 0.246 279 R C 2.468 178.657 176.300 -0.185 0.000 1.146 279 R CA 2.218 58.219 56.100 -0.165 0.000 0.962 279 R CB -0.530 29.694 30.300 -0.127 0.000 0.863 279 R HN 0.663 nan 8.270 nan 0.000 0.442 280 Q N 0.301 120.047 119.800 -0.091 0.000 1.993 280 Q HA -0.251 4.089 4.340 0.000 0.000 0.202 280 Q C 2.252 178.188 176.000 -0.106 0.000 0.984 280 Q CA 2.123 57.880 55.803 -0.077 0.000 0.837 280 Q CB -0.228 28.498 28.738 -0.019 0.000 0.902 280 Q HN 0.485 nan 8.270 nan 0.000 0.423 281 M N -0.064 119.473 119.600 -0.104 0.000 2.106 281 M HA -0.224 4.256 4.480 0.000 0.000 0.259 281 M C 2.281 178.471 176.300 -0.184 0.000 1.068 281 M CA 1.987 57.207 55.300 -0.134 0.000 1.100 281 M CB -0.147 32.359 32.600 -0.158 0.000 1.351 281 M HN 0.258 nan 8.290 nan 0.000 0.404 282 S N 0.408 115.932 115.700 -0.294 0.000 2.348 282 S HA -0.091 4.379 4.470 0.000 0.000 0.221 282 S C 1.702 176.185 174.600 -0.195 0.000 1.033 282 S CA 1.349 59.358 58.200 -0.318 0.000 1.010 282 S CB -0.358 62.481 63.200 -0.602 0.000 0.891 282 S HN 0.531 nan 8.310 nan 0.000 0.442 283 L N 1.133 122.249 121.223 -0.179 0.000 2.046 283 L HA -0.118 4.222 4.340 0.000 0.000 0.208 283 L C 2.227 179.042 176.870 -0.093 0.000 1.077 283 L CA 1.057 55.824 54.840 -0.122 0.000 0.747 283 L CB -0.594 41.397 42.059 -0.113 0.000 0.896 283 L HN 0.324 nan 8.230 nan 0.000 0.432 284 L N -0.661 120.506 121.223 -0.093 0.000 2.191 284 L HA -0.216 4.124 4.340 0.000 0.000 0.212 284 L C 2.209 179.039 176.870 -0.066 0.000 1.103 284 L CA 0.956 55.753 54.840 -0.072 0.000 0.769 284 L CB -0.385 41.634 42.059 -0.067 0.000 0.908 284 L HN 0.282 nan 8.230 nan 0.000 0.438 285 L N -0.358 120.819 121.223 -0.076 0.000 2.599 285 L HA 0.051 4.391 4.340 0.000 0.000 0.230 285 L C 0.679 177.521 176.870 -0.048 0.000 1.141 285 L CA -0.001 54.804 54.840 -0.060 0.000 0.877 285 L CB -0.003 42.018 42.059 -0.064 0.000 1.009 285 L HN 0.291 nan 8.230 nan 0.000 0.447 286 R N -1.047 119.421 120.500 -0.053 0.000 3.908 286 R HA -0.144 4.197 4.340 0.000 0.000 0.381 286 R C -0.123 176.152 176.300 -0.041 0.000 1.135 286 R CA 0.448 56.522 56.100 -0.043 0.000 0.990 286 R CB -2.269 28.013 30.300 -0.030 0.000 1.557 286 R HN 0.347 nan 8.270 nan 0.000 0.535 287 R N 2.219 122.687 120.500 -0.053 0.000 2.316 287 R HA 0.220 4.560 4.340 0.000 0.000 0.314 287 R C -1.954 174.320 176.300 -0.044 0.000 1.069 287 R CA -1.559 54.516 56.100 -0.041 0.000 0.959 287 R CB 0.396 30.668 30.300 -0.047 0.000 0.987 287 R HN -0.122 nan 8.270 nan 0.000 0.446 288 P HA -0.050 nan 4.420 nan 0.000 0.261 288 P C -2.326 174.960 177.300 -0.023 0.000 1.173 288 P CA -0.696 62.391 63.100 -0.023 0.000 0.760 288 P CB -0.073 31.620 31.700 -0.011 0.000 0.783 289 P HA 0.196 nan 4.420 nan 0.000 0.275 289 P C 0.391 177.690 177.300 -0.002 0.000 1.227 289 P CA 0.146 63.227 63.100 -0.031 0.000 0.781 289 P CB 0.927 32.598 31.700 -0.049 0.000 0.906 290 G N 1.910 110.729 108.800 0.031 0.000 2.857 290 G HA2 0.361 4.321 3.960 0.000 0.000 0.217 290 G HA3 0.361 4.321 3.960 0.000 0.000 0.217 290 G C -0.541 174.386 174.900 0.046 0.000 1.357 290 G CA -0.985 44.145 45.100 0.050 0.000 1.033 290 G HN 0.568 nan 8.290 nan 0.000 0.571 291 R N 0.225 120.738 120.500 0.023 0.000 2.523 291 R HA 0.006 4.346 4.340 0.000 0.000 0.281 291 R C 0.247 176.594 176.300 0.079 0.000 0.969 291 R CA 1.153 57.212 56.100 -0.068 0.000 1.093 291 R CB -0.260 29.834 30.300 -0.343 0.000 0.917 291 R HN 0.737 nan 8.270 nan 0.000 0.408 292 E N 2.435 122.662 120.200 0.043 0.000 2.883 292 E HA -0.369 3.981 4.350 0.000 0.000 0.271 292 E C 0.429 177.037 176.600 0.013 0.000 1.049 292 E CA 0.552 57.023 56.400 0.119 0.000 0.817 292 E CB -1.117 28.778 29.700 0.325 0.000 1.407 292 E HN 0.891 nan 8.360 nan 0.000 0.434 293 A N -2.737 120.069 122.820 -0.023 0.000 3.737 293 A HA -0.302 4.018 4.320 0.000 0.000 0.260 293 A C 0.233 177.728 177.584 -0.148 0.000 1.021 293 A CA 1.596 53.558 52.037 -0.124 0.000 1.356 293 A CB -1.731 17.150 19.000 -0.198 0.000 1.043 293 A HN 0.374 nan 8.150 nan 0.000 0.877 294 Y N 0.666 121.000 120.300 0.057 0.000 2.330 294 Y HA 0.455 5.005 4.550 0.000 0.000 0.341 294 Y C -1.743 174.178 175.900 0.036 0.000 1.278 294 Y CA -1.310 56.824 58.100 0.057 0.000 1.453 294 Y CB 0.015 38.569 38.460 0.156 0.000 1.342 294 Y HN 0.162 nan 8.280 nan 0.000 0.590 295 P HA 0.015 nan 4.420 nan 0.000 0.268 295 P C 0.698 178.130 177.300 0.220 0.000 1.205 295 P CA 0.268 63.427 63.100 0.098 0.000 0.771 295 P CB 0.743 32.421 31.700 -0.037 0.000 0.858 296 G N 2.474 111.376 108.800 0.170 0.000 2.485 296 G HA2 -0.241 3.719 3.960 0.000 0.000 0.221 296 G HA3 -0.241 3.719 3.960 0.000 0.000 0.221 296 G C 0.579 175.623 174.900 0.239 0.000 1.115 296 G CA 0.740 45.950 45.100 0.183 0.000 0.751 296 G HN 0.628 nan 8.290 nan 0.000 0.567 297 D N 0.842 121.412 120.400 0.283 0.000 2.561 297 D HA 0.079 4.719 4.640 0.000 0.000 0.232 297 D C 2.003 178.489 176.300 0.310 0.000 1.198 297 D CA 0.197 54.392 54.000 0.325 0.000 0.826 297 D CB -0.224 40.790 40.800 0.357 0.000 0.992 297 D HN 0.260 nan 8.370 nan 0.000 0.490 298 V N -1.970 118.106 119.914 0.270 0.000 2.343 298 V HA -0.183 3.937 4.120 0.000 0.000 0.247 298 V C 2.269 178.316 176.094 -0.078 0.000 1.051 298 V CA 1.101 63.448 62.300 0.079 0.000 1.036 298 V CB -1.440 30.351 31.823 -0.053 0.000 0.654 298 V HN 0.196 nan 8.190 nan 0.000 0.451 299 F N 1.312 121.220 119.950 -0.069 0.000 2.043 299 F HA -0.277 4.251 4.527 0.000 0.000 0.297 299 F C 2.428 178.252 175.800 0.040 0.000 1.121 299 F CA 2.250 60.224 58.000 -0.044 0.000 1.199 299 F CB -0.936 38.076 39.000 0.021 0.000 0.968 299 F HN 0.207 nan 8.300 nan 0.000 0.478 300 Y N 1.044 121.280 120.300 -0.107 0.000 2.193 300 Y HA -0.258 4.292 4.550 0.000 0.000 0.285 300 Y C 2.261 178.019 175.900 -0.237 0.000 1.166 300 Y CA 1.781 59.749 58.100 -0.219 0.000 1.181 300 Y CB -1.164 37.293 38.460 -0.004 0.000 0.976 300 Y HN 0.321 nan 8.280 nan 0.000 0.520 301 L N -0.363 120.692 121.223 -0.280 0.000 2.043 301 L HA -0.268 4.073 4.340 0.000 0.000 0.212 301 L C 2.089 178.807 176.870 -0.254 0.000 1.075 301 L CA 2.460 57.058 54.840 -0.405 0.000 0.752 301 L CB -0.768 40.984 42.059 -0.511 0.000 0.891 301 L HN 0.381 nan 8.230 nan 0.000 0.432 302 H N -1.578 117.327 119.070 -0.275 0.000 2.431 302 H HA 0.006 4.562 4.556 0.000 0.000 0.295 302 H C 2.407 177.537 175.328 -0.330 0.000 1.038 302 H CA 0.692 56.560 56.048 -0.301 0.000 1.360 302 H CB 0.050 29.663 29.762 -0.248 0.000 1.433 302 H HN 0.558 nan 8.280 nan 0.000 0.536 303 S N 1.451 116.947 115.700 -0.340 0.000 2.351 303 S HA -0.270 4.200 4.470 0.000 0.000 0.220 303 S C 2.082 176.586 174.600 -0.161 0.000 1.035 303 S CA 1.245 59.233 58.200 -0.353 0.000 1.031 303 S CB -0.396 62.406 63.200 -0.663 0.000 0.928 303 S HN 0.299 nan 8.310 nan 0.000 0.433 304 R N 0.597 121.011 120.500 -0.143 0.000 2.134 304 R HA -0.177 4.163 4.340 0.000 0.000 0.248 304 R C 2.457 178.726 176.300 -0.051 0.000 1.143 304 R CA 1.939 57.978 56.100 -0.102 0.000 0.957 304 R CB -0.685 29.384 30.300 -0.384 0.000 0.867 304 R HN 0.542 nan 8.270 nan 0.000 0.441 305 L N 0.515 121.698 121.223 -0.066 0.000 1.988 305 L HA -0.106 4.234 4.340 0.000 0.000 0.207 305 L C 1.962 178.748 176.870 -0.140 0.000 1.071 305 L CA 1.707 56.467 54.840 -0.133 0.000 0.744 305 L CB -0.335 41.465 42.059 -0.431 0.000 0.893 305 L HN 0.218 nan 8.230 nan 0.000 0.433 306 L N -0.490 120.647 121.223 -0.144 0.000 2.362 306 L HA -0.085 4.255 4.340 0.000 0.000 0.219 306 L C 2.393 179.253 176.870 -0.017 0.000 1.134 306 L CA 0.521 55.325 54.840 -0.060 0.000 0.807 306 L CB -0.639 41.381 42.059 -0.066 0.000 0.927 306 L HN 0.351 nan 8.230 nan 0.000 0.447 307 E N 0.396 120.581 120.200 -0.026 0.000 2.274 307 E HA -0.137 4.213 4.350 0.000 0.000 0.194 307 E C 2.176 178.780 176.600 0.006 0.000 0.996 307 E CA 0.548 56.944 56.400 -0.006 0.000 0.840 307 E CB 0.120 29.820 29.700 -0.000 0.000 0.772 307 E HN 0.470 nan 8.360 nan 0.000 0.491 308 R N 0.702 121.210 120.500 0.014 0.000 2.115 308 R HA 0.002 4.342 4.340 0.000 0.000 0.230 308 R C 1.029 177.353 176.300 0.040 0.000 1.111 308 R CA 0.662 56.780 56.100 0.030 0.000 0.976 308 R CB -0.118 30.209 30.300 0.046 0.000 0.870 308 R HN -0.062 nan 8.270 nan 0.000 0.445 309 A N 0.996 123.845 122.820 0.048 0.000 2.492 309 A HA 0.508 4.828 4.320 0.000 0.000 0.254 309 A C -0.130 177.466 177.584 0.020 0.000 1.091 309 A CA 0.443 52.506 52.037 0.044 0.000 0.768 309 A CB 0.136 19.165 19.000 0.048 0.000 1.028 309 A HN 0.364 nan 8.150 nan 0.000 0.498 310 A N 2.376 125.206 122.820 0.016 0.000 2.586 310 A HA 0.722 5.042 4.320 0.000 0.000 0.290 310 A C -0.867 176.717 177.584 0.001 0.000 1.086 310 A CA -0.713 51.323 52.037 -0.001 0.000 0.665 310 A CB 0.942 19.934 19.000 -0.013 0.000 1.279 310 A HN 0.927 nan 8.150 nan 0.000 0.423 311 K N 1.490 121.883 120.400 -0.012 0.000 2.425 311 K HA 0.587 4.907 4.320 0.000 0.000 0.259 311 K C -0.646 175.952 176.600 -0.004 0.000 0.978 311 K CA -0.326 55.958 56.287 -0.004 0.000 0.883 311 K CB 0.445 32.933 32.500 -0.020 0.000 1.110 311 K HN 0.623 nan 8.250 nan 0.000 0.436 312 M N 2.989 122.602 119.600 0.022 0.000 2.250 312 M HA 0.192 4.672 4.480 0.000 0.000 0.344 312 M C 0.332 176.675 176.300 0.072 0.000 1.150 312 M CA -0.657 54.652 55.300 0.015 0.000 1.147 312 M CB 0.213 32.850 32.600 0.061 0.000 1.498 312 M HN 0.713 nan 8.290 nan 0.000 0.461 313 N N 1.302 120.060 118.700 0.096 0.000 2.354 313 N HA 0.031 4.771 4.740 0.000 0.000 0.246 313 N C 0.129 175.747 175.510 0.180 0.000 1.285 313 N CA -0.178 52.957 53.050 0.140 0.000 0.925 313 N CB 0.435 39.018 38.487 0.159 0.000 1.174 313 N HN 0.432 nan 8.380 nan 0.000 0.478 314 D N -0.312 120.161 120.400 0.121 0.000 2.221 314 D HA -0.160 4.480 4.640 0.000 0.000 0.204 314 D C 1.600 177.944 176.300 0.073 0.000 0.982 314 D CA 1.669 55.721 54.000 0.086 0.000 0.857 314 D CB -0.514 40.317 40.800 0.051 0.000 0.934 314 D HN 0.729 nan 8.370 nan 0.000 0.475 315 A N -0.055 122.825 122.820 0.100 0.000 2.019 315 A HA -0.130 4.190 4.320 0.000 0.000 0.219 315 A C 1.388 178.848 177.584 -0.207 0.000 1.164 315 A CA 0.856 52.863 52.037 -0.049 0.000 0.644 315 A CB -0.522 18.452 19.000 -0.043 0.000 0.805 315 A HN 0.163 nan 8.150 nan 0.000 0.449 316 F N -1.379 118.571 119.950 0.000 0.000 2.639 316 F HA 0.432 4.959 4.527 0.000 0.000 0.302 316 F C 1.669 177.463 175.800 -0.009 0.000 1.097 316 F CA 0.257 58.254 58.000 -0.004 0.000 1.294 316 F CB 0.374 39.374 39.000 0.001 0.000 1.027 316 F HN 0.313 nan 8.300 nan 0.000 0.550 317 G N -0.589 108.280 108.800 0.114 0.000 2.201 317 G HA2 -0.079 3.881 3.960 0.000 0.000 0.212 317 G HA3 -0.079 3.881 3.960 0.000 0.000 0.212 317 G C 1.303 176.245 174.900 0.071 0.000 0.994 317 G CA -0.143 44.993 45.100 0.059 0.000 0.644 317 G HN 0.951 nan 8.290 nan 0.000 0.508 318 G N -0.371 108.497 108.800 0.114 0.000 2.186 318 G HA2 0.102 4.062 3.960 0.000 0.000 0.266 318 G HA3 0.102 4.062 3.960 0.000 0.000 0.266 318 G C 1.564 176.572 174.900 0.180 0.000 0.982 318 G CA 1.342 46.516 45.100 0.124 0.000 0.670 318 G HN 2.090 nan 8.290 nan 0.000 0.533 319 G N -0.648 108.236 108.800 0.141 0.000 2.611 319 G HA2 0.696 4.656 3.960 0.000 0.000 0.273 319 G HA3 0.696 4.656 3.960 0.000 0.000 0.273 319 G C 0.354 175.409 174.900 0.259 0.000 1.305 319 G CA 1.098 46.313 45.100 0.192 0.000 1.010 319 G HN 1.888 nan 8.290 nan 0.000 0.509 320 S N -2.052 113.843 115.700 0.324 0.000 2.643 320 S HA 0.621 5.091 4.470 0.000 0.000 0.270 320 S C -1.761 172.924 174.600 0.143 0.000 1.166 320 S CA -0.787 57.511 58.200 0.164 0.000 0.815 320 S CB 1.841 65.065 63.200 0.039 0.000 1.139 320 S HN 1.230 nan 8.310 nan 0.000 0.472 321 L N 1.405 122.671 121.223 0.072 0.000 2.482 321 L HA 0.719 5.059 4.340 0.000 0.000 0.269 321 L C -1.031 175.846 176.870 0.012 0.000 0.967 321 L CA 0.225 55.101 54.840 0.060 0.000 0.851 321 L CB 1.831 43.938 42.059 0.081 0.000 1.242 321 L HN 0.968 nan 8.230 nan 0.000 0.404 322 T N 3.909 118.453 114.554 -0.017 0.000 2.797 322 T HA 0.873 5.223 4.350 0.000 0.000 0.279 322 T C -0.285 174.378 174.700 -0.062 0.000 0.991 322 T CA -0.328 61.747 62.100 -0.041 0.000 0.979 322 T CB 1.526 70.356 68.868 -0.064 0.000 0.943 322 T HN 0.782 nan 8.240 nan 0.000 0.444 323 A N 3.352 126.143 122.820 -0.047 0.000 2.330 323 A HA 0.811 5.131 4.320 0.000 0.000 0.327 323 A C -0.630 176.910 177.584 -0.073 0.000 1.155 323 A CA -0.784 51.202 52.037 -0.085 0.000 0.803 323 A CB 0.720 19.753 19.000 0.055 0.000 1.208 323 A HN 0.871 nan 8.150 nan 0.000 0.477 324 L N 4.170 125.310 121.223 -0.138 0.000 2.433 324 L HA 0.349 4.689 4.340 0.000 0.000 0.256 324 L C -2.539 174.283 176.870 -0.080 0.000 1.063 324 L CA -1.690 53.102 54.840 -0.081 0.000 0.922 324 L CB 1.951 43.967 42.059 -0.071 0.000 1.238 324 L HN 0.474 nan 8.230 nan 0.000 0.466 325 P HA 0.281 nan 4.420 nan 0.000 0.286 325 P C -0.624 176.673 177.300 -0.005 0.000 1.261 325 P CA -0.387 62.748 63.100 0.058 0.000 0.821 325 P CB 2.202 33.936 31.700 0.055 0.000 1.013 326 V N 4.202 124.105 119.914 -0.018 0.000 2.483 326 V HA 0.440 4.560 4.120 0.000 0.000 0.295 326 V C 0.270 176.349 176.094 -0.025 0.000 1.035 326 V CA -0.535 61.757 62.300 -0.014 0.000 0.896 326 V CB 1.613 33.432 31.823 -0.006 0.000 0.986 326 V HN 0.419 nan 8.190 nan 0.000 0.447 327 I N 3.291 123.861 120.570 -0.001 0.000 2.582 327 I HA 0.417 4.587 4.170 0.000 0.000 0.292 327 I C -0.133 176.008 176.117 0.039 0.000 1.066 327 I CA -0.451 60.852 61.300 0.006 0.000 1.053 327 I CB 2.187 40.187 38.000 -0.001 0.000 1.241 327 I HN 0.805 nan 8.210 nan 0.000 0.421 328 E N 5.045 125.273 120.200 0.046 0.000 2.055 328 E HA 0.349 4.699 4.350 0.000 0.000 0.274 328 E C -0.170 176.475 176.600 0.076 0.000 0.949 328 E CA -0.422 56.014 56.400 0.059 0.000 0.775 328 E CB 0.934 30.666 29.700 0.054 0.000 1.097 328 E HN 0.723 nan 8.360 nan 0.000 0.404 329 T N 1.898 116.510 114.554 0.097 0.000 2.729 329 T HA 0.236 4.586 4.350 0.000 0.000 0.298 329 T C 0.108 174.865 174.700 0.095 0.000 1.013 329 T CA -0.699 61.465 62.100 0.107 0.000 0.957 329 T CB 0.916 69.880 68.868 0.160 0.000 1.130 329 T HN 0.436 nan 8.240 nan 0.000 0.526 330 Q N -0.296 119.561 119.800 0.096 0.000 2.305 330 Q HA 0.537 4.877 4.340 0.000 0.000 0.271 330 Q C -0.143 175.909 176.000 0.086 0.000 1.046 330 Q CA -0.466 55.386 55.803 0.082 0.000 0.798 330 Q CB 1.887 30.672 28.738 0.078 0.000 1.286 330 Q HN 1.309 nan 8.270 nan 0.000 0.435 331 A N 1.614 124.481 122.820 0.078 0.000 2.687 331 A HA -0.168 4.152 4.320 0.000 0.000 0.299 331 A C 1.171 178.821 177.584 0.109 0.000 1.497 331 A CA 1.306 53.391 52.037 0.080 0.000 0.751 331 A CB -2.210 16.831 19.000 0.068 0.000 1.048 331 A HN 1.662 nan 8.150 nan 0.000 0.464 332 G N -0.688 108.195 108.800 0.139 0.000 2.320 332 G HA2 -0.286 3.674 3.960 0.000 0.000 0.291 332 G HA3 -0.286 3.674 3.960 0.000 0.000 0.291 332 G C 0.086 175.136 174.900 0.251 0.000 0.994 332 G CA 1.419 46.664 45.100 0.241 0.000 0.760 332 G HN 1.840 nan 8.290 nan 0.000 0.514 333 D N -0.002 120.486 120.400 0.146 0.000 2.435 333 D HA 0.386 5.026 4.640 0.000 0.000 0.230 333 D C 1.715 178.031 176.300 0.027 0.000 1.215 333 D CA 0.211 54.259 54.000 0.080 0.000 0.947 333 D CB 0.540 41.380 40.800 0.067 0.000 1.048 333 D HN 0.286 nan 8.370 nan 0.000 0.512 334 V N 1.261 121.122 119.914 -0.089 0.000 3.041 334 V HA -0.074 4.046 4.120 0.000 0.000 0.260 334 V C 1.844 177.868 176.094 -0.117 0.000 1.105 334 V CA 0.873 63.051 62.300 -0.203 0.000 1.125 334 V CB -0.475 31.010 31.823 -0.563 0.000 0.730 334 V HN 0.371 nan 8.190 nan 0.000 0.479 335 S N 1.008 116.667 115.700 -0.069 0.000 2.515 335 S HA 0.323 4.793 4.470 0.000 0.000 0.231 335 S C 1.359 175.968 174.600 0.015 0.000 0.987 335 S CA 0.475 58.657 58.200 -0.031 0.000 0.936 335 S CB -0.438 62.751 63.200 -0.018 0.000 0.766 335 S HN 0.840 nan 8.310 nan 0.000 0.528 336 A N 1.353 124.191 122.820 0.030 0.000 2.587 336 A HA 0.090 4.410 4.320 0.000 0.000 0.233 336 A C 0.956 178.600 177.584 0.101 0.000 1.049 336 A CA -0.035 52.049 52.037 0.078 0.000 0.754 336 A CB -0.321 18.727 19.000 0.079 0.000 0.977 336 A HN 0.420 nan 8.150 nan 0.000 0.509 337 Y N 2.844 123.156 120.300 0.020 0.000 2.002 337 Y HA -0.309 4.241 4.550 0.000 0.000 0.268 337 Y C 1.680 177.585 175.900 0.009 0.000 1.177 337 Y CA 2.768 60.878 58.100 0.016 0.000 1.111 337 Y CB -0.518 37.959 38.460 0.030 0.000 0.952 337 Y HN 0.570 nan 8.280 nan 0.000 0.491 338 I N 0.398 120.829 120.570 -0.232 0.000 2.179 338 I HA -0.209 3.961 4.170 0.000 0.000 0.242 338 I C -0.752 175.284 176.117 -0.136 0.000 1.088 338 I CA 1.613 62.729 61.300 -0.307 0.000 1.357 338 I CB -1.729 36.118 38.000 -0.255 0.000 1.051 338 I HN 0.213 nan 8.210 nan 0.000 0.409 339 P HA -0.146 nan 4.420 nan 0.000 0.216 339 P C 1.695 178.971 177.300 -0.041 0.000 1.150 339 P CA 2.068 65.149 63.100 -0.031 0.000 0.837 339 P CB -0.399 31.292 31.700 -0.014 0.000 0.786 340 T N -4.383 110.145 114.554 -0.044 0.000 2.942 340 T HA -0.029 4.321 4.350 0.000 0.000 0.265 340 T C 1.738 176.424 174.700 -0.022 0.000 1.062 340 T CA 0.790 62.872 62.100 -0.030 0.000 1.139 340 T CB -0.977 67.885 68.868 -0.010 0.000 0.883 340 T HN -0.067 nan 8.240 nan 0.000 0.468 341 N N 1.683 120.339 118.700 -0.074 0.000 2.043 341 N HA -0.076 4.664 4.740 0.000 0.000 0.193 341 N C 1.955 177.544 175.510 0.131 0.000 1.037 341 N CA 1.453 54.502 53.050 -0.002 0.000 0.851 341 N CB -0.830 37.569 38.487 -0.146 0.000 1.027 341 N HN 0.357 nan 8.380 nan 0.000 0.422 342 V N 1.322 121.274 119.914 0.063 0.000 2.548 342 V HA -0.086 4.035 4.120 0.000 0.000 0.249 342 V C 2.190 178.308 176.094 0.040 0.000 1.055 342 V CA 0.942 63.276 62.300 0.057 0.000 1.065 342 V CB -0.409 31.418 31.823 0.005 0.000 0.681 342 V HN 0.248 nan 8.190 nan 0.000 0.462 343 I N 1.537 122.120 120.570 0.021 0.000 2.454 343 I HA -0.169 4.001 4.170 0.000 0.000 0.254 343 I C 2.198 178.336 176.117 0.035 0.000 1.156 343 I CA 1.683 62.990 61.300 0.012 0.000 1.433 343 I CB -0.353 37.637 38.000 -0.018 0.000 1.082 343 I HN 0.459 nan 8.210 nan 0.000 0.432 344 S N -0.303 115.437 115.700 0.068 0.000 2.701 344 S HA 0.199 4.669 4.470 0.000 0.000 0.220 344 S C 1.349 176.044 174.600 0.158 0.000 0.954 344 S CA 0.120 58.378 58.200 0.096 0.000 0.936 344 S CB -0.267 62.978 63.200 0.075 0.000 0.777 344 S HN 0.426 nan 8.310 nan 0.000 0.518 345 I N 1.113 121.759 120.570 0.127 0.000 3.673 345 I HA 0.067 4.238 4.170 0.000 0.000 0.281 345 I C 1.373 177.519 176.117 0.048 0.000 1.182 345 I CA 0.433 61.794 61.300 0.101 0.000 1.391 345 I CB -0.187 37.841 38.000 0.047 0.000 1.383 345 I HN 0.313 nan 8.210 nan 0.000 0.456 346 T N -1.152 113.421 114.554 0.031 0.000 2.802 346 T HA 0.030 4.380 4.350 0.000 0.000 0.305 346 T C 0.385 175.096 174.700 0.019 0.000 1.053 346 T CA -0.257 61.854 62.100 0.018 0.000 1.058 346 T CB 0.581 69.456 68.868 0.010 0.000 0.988 346 T HN 0.064 nan 8.240 nan 0.000 0.539 347 D N 1.192 121.599 120.400 0.012 0.000 2.519 347 D HA 0.385 5.025 4.640 0.000 0.000 0.238 347 D C 1.010 177.315 176.300 0.008 0.000 1.192 347 D CA 0.578 54.584 54.000 0.009 0.000 0.835 347 D CB -0.473 40.328 40.800 0.002 0.000 0.975 347 D HN 0.982 nan 8.370 nan 0.000 0.490 348 G N 0.663 109.470 108.800 0.012 0.000 2.347 348 G HA2 0.139 4.099 3.960 0.000 0.000 0.341 348 G HA3 0.139 4.099 3.960 0.000 0.000 0.341 348 G C -1.783 173.128 174.900 0.018 0.000 1.287 348 G CA -1.000 44.109 45.100 0.014 0.000 0.984 348 G HN 0.113 nan 8.290 nan 0.000 0.526 349 Q N -1.302 118.514 119.800 0.028 0.000 2.435 349 Q HA 0.734 5.074 4.340 0.000 0.000 0.282 349 Q C -0.747 175.297 176.000 0.072 0.000 1.020 349 Q CA -0.630 55.200 55.803 0.044 0.000 0.820 349 Q CB 2.066 30.830 28.738 0.043 0.000 1.436 349 Q HN 0.747 nan 8.270 nan 0.000 0.395 350 I N 1.914 122.536 120.570 0.088 0.000 2.359 350 I HA 0.382 4.552 4.170 0.000 0.000 0.284 350 I C -1.079 175.144 176.117 0.177 0.000 1.018 350 I CA -0.725 60.637 61.300 0.104 0.000 1.173 350 I CB 0.579 38.615 38.000 0.060 0.000 1.326 350 I HN 0.511 nan 8.210 nan 0.000 0.462 351 F N 8.231 128.190 119.950 0.015 0.000 2.391 351 F HA 0.543 5.070 4.527 0.000 0.000 0.359 351 F C -0.744 175.070 175.800 0.023 0.000 1.122 351 F CA -0.813 57.198 58.000 0.018 0.000 1.120 351 F CB 0.680 39.692 39.000 0.019 0.000 1.142 351 F HN 0.201 nan 8.300 nan 0.000 0.483 352 L N 5.971 126.985 121.223 -0.349 0.000 2.295 352 L HA 0.483 4.823 4.340 0.000 0.000 0.285 352 L C -0.318 176.184 176.870 -0.613 0.000 1.035 352 L CA -0.604 54.017 54.840 -0.365 0.000 0.806 352 L CB 1.508 43.478 42.059 -0.148 0.000 1.214 352 L HN 0.548 nan 8.230 nan 0.000 0.426 353 E N 0.124 120.047 120.200 -0.461 0.000 2.207 353 E HA 0.191 4.541 4.350 0.000 0.000 0.270 353 E C 0.502 177.014 176.600 -0.147 0.000 0.927 353 E CA -0.293 55.891 56.400 -0.361 0.000 0.799 353 E CB 2.127 31.662 29.700 -0.275 0.000 1.172 353 E HN 0.711 nan 8.360 nan 0.000 0.404 354 T N -0.780 113.713 114.554 -0.103 0.000 2.951 354 T HA -0.145 4.205 4.350 0.000 0.000 0.268 354 T C 1.488 176.253 174.700 0.108 0.000 1.073 354 T CA 1.052 63.110 62.100 -0.070 0.000 1.134 354 T CB 0.097 68.964 68.868 -0.002 0.000 0.884 354 T HN 0.548 nan 8.240 nan 0.000 0.479 355 E N 1.020 121.285 120.200 0.109 0.000 2.031 355 E HA -0.122 4.229 4.350 0.000 0.000 0.193 355 E C 2.211 178.891 176.600 0.135 0.000 0.994 355 E CA 1.168 57.658 56.400 0.149 0.000 0.800 355 E CB -0.352 29.403 29.700 0.092 0.000 0.752 355 E HN 0.588 nan 8.360 nan 0.000 0.447 356 L N 0.083 121.348 121.223 0.070 0.000 2.012 356 L HA -0.190 4.150 4.340 0.000 0.000 0.210 356 L C 2.599 179.501 176.870 0.052 0.000 1.073 356 L CA 1.484 56.352 54.840 0.046 0.000 0.748 356 L CB -0.613 41.447 42.059 0.003 0.000 0.891 356 L HN 0.220 nan 8.230 nan 0.000 0.431 357 F N 0.026 119.892 119.950 -0.140 0.000 2.026 357 F HA -0.320 4.207 4.527 0.000 0.000 0.296 357 F C 2.478 178.154 175.800 -0.207 0.000 1.133 357 F CA 1.727 59.589 58.000 -0.231 0.000 1.188 357 F CB -0.568 38.193 39.000 -0.398 0.000 0.968 357 F HN -0.073 nan 8.300 nan 0.000 0.476 358 Y N 0.533 121.042 120.300 0.348 0.000 2.207 358 Y HA -0.216 4.334 4.550 0.000 0.000 0.287 358 Y C 2.367 178.310 175.900 0.072 0.000 1.156 358 Y CA 1.684 59.906 58.100 0.204 0.000 1.182 358 Y CB -0.970 37.586 38.460 0.160 0.000 0.979 358 Y HN 0.070 nan 8.280 nan 0.000 0.521 359 K N -0.905 119.603 120.400 0.180 0.000 2.442 359 K HA -0.012 4.308 4.320 0.000 0.000 0.198 359 K C 1.492 178.112 176.600 0.034 0.000 1.044 359 K CA 0.842 57.188 56.287 0.097 0.000 0.948 359 K CB -0.325 32.223 32.500 0.081 0.000 0.762 359 K HN 0.520 nan 8.250 nan 0.000 0.472 360 G N 0.619 109.401 108.800 -0.030 0.000 2.184 360 G HA2 -0.182 3.778 3.960 0.000 0.000 0.206 360 G HA3 -0.182 3.778 3.960 0.000 0.000 0.206 360 G C 0.109 174.938 174.900 -0.118 0.000 0.995 360 G CA -0.460 44.588 45.100 -0.087 0.000 0.651 360 G HN 0.153 nan 8.290 nan 0.000 0.511 361 I N 2.309 122.821 120.570 -0.097 0.000 2.293 361 I HA 0.295 4.465 4.170 0.000 0.000 0.299 361 I C 0.475 176.502 176.117 -0.149 0.000 1.153 361 I CA 0.296 61.547 61.300 -0.082 0.000 1.302 361 I CB -0.155 37.828 38.000 -0.028 0.000 1.460 361 I HN 0.116 nan 8.210 nan 0.000 0.552 362 R N 6.762 127.149 120.500 -0.187 0.000 2.476 362 R HA 0.437 4.777 4.340 0.000 0.000 0.305 362 R C -2.594 173.628 176.300 -0.131 0.000 0.965 362 R CA -1.824 54.137 56.100 -0.230 0.000 0.867 362 R CB 2.145 32.188 30.300 -0.429 0.000 1.176 362 R HN 0.195 nan 8.270 nan 0.000 0.447 363 P HA -0.041 nan 4.420 nan 0.000 0.268 363 P C -0.119 177.157 177.300 -0.040 0.000 1.208 363 P CA 0.016 63.084 63.100 -0.053 0.000 0.777 363 P CB 0.636 32.319 31.700 -0.029 0.000 0.875 364 A N 3.249 126.074 122.820 0.008 0.000 2.543 364 A HA 0.138 4.458 4.320 0.000 0.000 0.258 364 A C 0.687 178.243 177.584 -0.047 0.000 1.391 364 A CA -0.222 51.816 52.037 0.002 0.000 1.066 364 A CB -1.510 17.537 19.000 0.079 0.000 0.972 364 A HN 0.467 nan 8.150 nan 0.000 0.560 365 I N 1.092 121.646 120.570 -0.026 0.000 2.618 365 I HA -0.020 4.150 4.170 0.000 0.000 0.284 365 I C 0.597 176.714 176.117 0.000 0.000 1.146 365 I CA -0.127 61.166 61.300 -0.013 0.000 1.425 365 I CB 0.461 38.468 38.000 0.012 0.000 1.383 365 I HN 0.312 nan 8.210 nan 0.000 0.562 366 N N 6.712 125.422 118.700 0.017 0.000 2.558 366 N HA 0.110 4.850 4.740 0.000 0.000 0.233 366 N C 0.739 176.317 175.510 0.114 0.000 1.038 366 N CA -0.119 52.975 53.050 0.074 0.000 0.934 366 N CB 1.309 39.873 38.487 0.130 0.000 1.175 366 N HN 0.435 nan 8.380 nan 0.000 0.512 367 V N 3.779 123.743 119.914 0.083 0.000 2.250 367 V HA -0.272 3.848 4.120 0.000 0.000 0.250 367 V C 2.394 178.536 176.094 0.081 0.000 1.060 367 V CA 2.528 64.874 62.300 0.077 0.000 1.030 367 V CB -1.009 30.857 31.823 0.071 0.000 0.643 367 V HN 0.754 nan 8.190 nan 0.000 0.445 368 G N -0.216 108.635 108.800 0.084 0.000 2.514 368 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 368 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 368 G C 1.452 176.397 174.900 0.075 0.000 1.198 368 G CA 1.279 46.422 45.100 0.072 0.000 0.780 368 G HN 0.516 nan 8.290 nan 0.000 0.565 369 L N 1.014 122.308 121.223 0.117 0.000 2.465 369 L HA 0.119 4.459 4.340 0.000 0.000 0.224 369 L C 0.866 177.791 176.870 0.092 0.000 1.145 369 L CA -0.098 54.801 54.840 0.099 0.000 0.834 369 L CB -0.234 41.911 42.059 0.143 0.000 0.944 369 L HN 0.055 nan 8.230 nan 0.000 0.451 370 S N 0.086 115.857 115.700 0.118 0.000 2.616 370 S HA 0.604 5.074 4.470 0.000 0.000 0.277 370 S C -0.113 174.520 174.600 0.056 0.000 1.234 370 S CA -0.653 57.605 58.200 0.097 0.000 1.028 370 S CB 2.217 65.482 63.200 0.108 0.000 0.988 370 S HN 0.102 nan 8.310 nan 0.000 0.522 371 V N -1.050 118.889 119.914 0.041 0.000 3.232 371 V HA 0.927 5.047 4.120 0.000 0.000 0.303 371 V C -0.770 175.337 176.094 0.022 0.000 1.311 371 V CA -0.827 61.489 62.300 0.027 0.000 1.061 371 V CB 1.792 33.625 31.823 0.018 0.000 1.085 371 V HN 0.774 nan 8.190 nan 0.000 0.447 372 S N 0.622 116.331 115.700 0.015 0.000 2.756 372 S HA 0.498 4.968 4.470 0.000 0.000 0.303 372 S C 0.521 175.125 174.600 0.006 0.000 1.135 372 S CA -0.751 57.455 58.200 0.009 0.000 1.066 372 S CB 1.387 64.591 63.200 0.007 0.000 1.008 372 S HN 0.857 nan 8.310 nan 0.000 0.482 373 R N 3.118 123.621 120.500 0.005 0.000 2.339 373 R HA 0.063 4.403 4.340 0.000 0.000 0.199 373 R C 1.096 177.396 176.300 0.000 0.000 1.018 373 R CA 0.539 56.641 56.100 0.004 0.000 1.036 373 R CB -0.231 30.073 30.300 0.006 0.000 0.899 373 R HN 0.498 nan 8.270 nan 0.000 0.473 374 V N 0.238 120.150 119.914 -0.003 0.000 2.992 374 V HA 0.090 4.210 4.120 0.000 0.000 0.250 374 V C 1.405 177.495 176.094 -0.007 0.000 1.090 374 V CA 1.121 63.416 62.300 -0.008 0.000 1.101 374 V CB -0.207 31.607 31.823 -0.015 0.000 0.743 374 V HN 0.650 nan 8.190 nan 0.000 0.468 375 G N 1.151 109.949 108.800 -0.004 0.000 2.601 375 G HA2 -0.343 3.617 3.960 0.000 0.000 0.261 375 G HA3 -0.343 3.617 3.960 0.000 0.000 0.261 375 G C 0.988 175.886 174.900 -0.005 0.000 1.289 375 G CA 0.638 45.737 45.100 -0.002 0.000 0.920 375 G HN 0.858 nan 8.290 nan 0.000 0.571 376 S N -0.355 115.343 115.700 -0.003 0.000 2.469 376 S HA 0.185 4.655 4.470 0.000 0.000 0.238 376 S C 2.568 177.163 174.600 -0.008 0.000 0.998 376 S CA 1.705 59.903 58.200 -0.004 0.000 0.957 376 S CB -0.395 62.805 63.200 -0.000 0.000 0.764 376 S HN 2.160 nan 8.310 nan 0.000 0.514 377 A N 1.202 124.016 122.820 -0.010 0.000 2.186 377 A HA 0.339 4.659 4.320 0.000 0.000 0.219 377 A C 2.100 179.671 177.584 -0.022 0.000 1.159 377 A CA 1.334 53.363 52.037 -0.014 0.000 0.680 377 A CB -0.856 18.137 19.000 -0.013 0.000 0.787 377 A HN 0.912 nan 8.150 nan 0.000 0.467 378 A N -1.591 121.215 122.820 -0.023 0.000 2.430 378 A HA 0.390 4.710 4.320 0.000 0.000 0.243 378 A C 0.702 178.266 177.584 -0.033 0.000 1.254 378 A CA -0.192 51.825 52.037 -0.034 0.000 0.914 378 A CB 0.098 19.076 19.000 -0.036 0.000 0.998 378 A HN 0.570 nan 8.150 nan 0.000 0.515 379 Q N 0.238 120.026 119.800 -0.021 0.000 2.257 379 Q HA 0.454 4.794 4.340 0.000 0.000 0.262 379 Q C 0.120 176.112 176.000 -0.012 0.000 0.997 379 Q CA -0.482 55.313 55.803 -0.014 0.000 0.873 379 Q CB 1.685 30.421 28.738 -0.004 0.000 1.312 379 Q HN 0.441 nan 8.270 nan 0.000 0.450 380 T N -1.314 113.235 114.554 -0.007 0.000 2.860 380 T HA 0.175 4.525 4.350 0.000 0.000 0.299 380 T C 0.874 175.576 174.700 0.004 0.000 1.045 380 T CA -0.345 61.754 62.100 -0.003 0.000 1.071 380 T CB 0.873 69.743 68.868 0.003 0.000 0.985 380 T HN 0.556 nan 8.240 nan 0.000 0.537 381 R N 1.394 121.898 120.500 0.005 0.000 2.105 381 R HA 0.023 4.363 4.340 0.000 0.000 0.239 381 R C 2.794 179.105 176.300 0.019 0.000 1.135 381 R CA 1.666 57.772 56.100 0.011 0.000 0.967 381 R CB -1.154 29.152 30.300 0.010 0.000 0.861 381 R HN 0.863 nan 8.270 nan 0.000 0.442 382 A N 0.380 123.211 122.820 0.019 0.000 1.883 382 A HA -0.252 4.068 4.320 0.000 0.000 0.217 382 A C 2.117 179.724 177.584 0.038 0.000 1.186 382 A CA 1.922 53.976 52.037 0.028 0.000 0.624 382 A CB -0.477 18.535 19.000 0.020 0.000 0.822 382 A HN 0.329 nan 8.150 nan 0.000 0.444 383 M N -0.267 119.351 119.600 0.030 0.000 2.254 383 M HA -0.022 4.458 4.480 0.000 0.000 0.265 383 M C 1.929 178.245 176.300 0.027 0.000 1.066 383 M CA 2.143 57.462 55.300 0.031 0.000 1.123 383 M CB -0.296 32.318 32.600 0.023 0.000 1.388 383 M HN 0.418 nan 8.290 nan 0.000 0.425 384 K N -0.497 119.915 120.400 0.020 0.000 2.097 384 K HA -0.189 4.131 4.320 0.000 0.000 0.205 384 K C 1.906 178.519 176.600 0.021 0.000 1.050 384 K CA 1.579 57.876 56.287 0.015 0.000 0.938 384 K CB -0.145 32.362 32.500 0.010 0.000 0.718 384 K HN 0.543 nan 8.250 nan 0.000 0.442 385 Q N 0.334 120.153 119.800 0.030 0.000 2.030 385 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 385 Q C 2.265 178.291 176.000 0.043 0.000 0.986 385 Q CA 2.275 58.102 55.803 0.040 0.000 0.843 385 Q CB -0.246 28.527 28.738 0.058 0.000 0.904 385 Q HN 0.404 nan 8.270 nan 0.000 0.420 386 V N -2.619 117.330 119.914 0.057 0.000 2.407 386 V HA 0.077 4.197 4.120 0.000 0.000 0.245 386 V C 1.694 177.797 176.094 0.015 0.000 1.041 386 V CA 1.635 63.966 62.300 0.051 0.000 1.040 386 V CB -0.543 31.337 31.823 0.094 0.000 0.671 386 V HN 0.237 nan 8.190 nan 0.000 0.455 387 A N 0.335 123.165 122.820 0.017 0.000 2.423 387 A HA 0.546 4.866 4.320 0.000 0.000 0.246 387 A C 2.007 179.592 177.584 0.003 0.000 1.278 387 A CA 0.592 52.632 52.037 0.006 0.000 0.903 387 A CB -0.721 18.285 19.000 0.011 0.000 0.997 387 A HN 0.661 nan 8.150 nan 0.000 0.510 388 G N 0.729 109.530 108.800 0.003 0.000 2.513 388 G HA2 -0.298 3.662 3.960 0.000 0.000 0.219 388 G HA3 -0.298 3.662 3.960 0.000 0.000 0.219 388 G C 1.562 176.461 174.900 -0.002 0.000 1.160 388 G CA 2.093 47.193 45.100 0.001 0.000 0.767 388 G HN 0.770 nan 8.290 nan 0.000 0.571 389 T N -3.154 111.395 114.554 -0.008 0.000 3.001 389 T HA 0.255 4.605 4.350 0.000 0.000 0.251 389 T C 2.165 176.861 174.700 -0.007 0.000 1.040 389 T CA 0.741 62.836 62.100 -0.008 0.000 0.985 389 T CB 0.015 68.875 68.868 -0.014 0.000 1.011 389 T HN 0.149 nan 8.240 nan 0.000 0.509 390 M N 1.392 120.986 119.600 -0.011 0.000 2.128 390 M HA -0.248 4.232 4.480 0.000 0.000 0.253 390 M C 2.303 178.607 176.300 0.006 0.000 1.079 390 M CA 2.114 57.407 55.300 -0.011 0.000 1.082 390 M CB -0.270 32.323 32.600 -0.013 0.000 1.335 390 M HN 0.298 nan 8.290 nan 0.000 0.401 391 K N 0.185 120.592 120.400 0.012 0.000 2.001 391 K HA -0.203 4.117 4.320 0.000 0.000 0.214 391 K C 1.722 178.339 176.600 0.028 0.000 1.050 391 K CA 2.021 58.322 56.287 0.023 0.000 0.934 391 K CB -0.364 32.149 32.500 0.021 0.000 0.718 391 K HN 0.442 nan 8.250 nan 0.000 0.443 392 L N 0.575 121.810 121.223 0.020 0.000 2.191 392 L HA -0.171 4.169 4.340 0.000 0.000 0.212 392 L C 2.540 179.427 176.870 0.029 0.000 1.103 392 L CA 1.193 56.046 54.840 0.021 0.000 0.769 392 L CB -0.422 41.643 42.059 0.011 0.000 0.908 392 L HN 0.407 nan 8.230 nan 0.000 0.438 393 E N 0.863 121.078 120.200 0.026 0.000 2.031 393 E HA -0.221 4.130 4.350 0.000 0.000 0.193 393 E C 2.372 179.022 176.600 0.083 0.000 0.994 393 E CA 1.118 57.537 56.400 0.032 0.000 0.800 393 E CB -0.068 29.632 29.700 0.000 0.000 0.752 393 E HN 0.407 nan 8.360 nan 0.000 0.447 394 L N 0.326 121.601 121.223 0.087 0.000 2.127 394 L HA -0.208 4.132 4.340 0.000 0.000 0.211 394 L C 2.527 179.504 176.870 0.179 0.000 1.089 394 L CA 0.961 55.903 54.840 0.171 0.000 0.757 394 L CB -0.408 41.725 42.059 0.123 0.000 0.899 394 L HN 0.268 nan 8.230 nan 0.000 0.434 395 A N -0.867 122.011 122.820 0.097 0.000 1.855 395 A HA -0.206 4.114 4.320 0.000 0.000 0.215 395 A C 2.183 179.795 177.584 0.047 0.000 1.191 395 A CA 1.121 53.194 52.037 0.060 0.000 0.613 395 A CB -0.421 18.602 19.000 0.038 0.000 0.829 395 A HN 0.345 nan 8.150 nan 0.000 0.442 396 Q N -1.608 118.226 119.800 0.057 0.000 2.291 396 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 396 Q C 1.794 177.840 176.000 0.078 0.000 0.976 396 Q CA 1.666 57.495 55.803 0.044 0.000 0.875 396 Q CB -0.397 28.362 28.738 0.036 0.000 0.927 396 Q HN 0.914 nan 8.270 nan 0.000 0.450 397 Y N 0.959 121.259 120.300 -0.000 0.000 2.286 397 Y HA -0.065 4.485 4.550 0.000 0.000 0.293 397 Y C 2.020 177.930 175.900 0.016 0.000 1.124 397 Y CA 1.200 59.303 58.100 0.004 0.000 1.178 397 Y CB -0.113 38.346 38.460 -0.002 0.000 1.010 397 Y HN -0.088 nan 8.280 nan 0.000 0.536 398 R N 0.419 120.699 120.500 -0.366 0.000 2.096 398 R HA -0.142 4.198 4.340 0.000 0.000 0.235 398 R C 2.321 178.476 176.300 -0.241 0.000 1.127 398 R CA 1.354 57.196 56.100 -0.429 0.000 0.968 398 R CB -0.307 29.889 30.300 -0.173 0.000 0.861 398 R HN 0.363 nan 8.270 nan 0.000 0.440 399 E N 0.688 120.815 120.200 -0.122 0.000 2.001 399 E HA -0.157 4.193 4.350 0.000 0.000 0.195 399 E C 2.055 178.641 176.600 -0.023 0.000 1.002 399 E CA 2.002 58.371 56.400 -0.052 0.000 0.819 399 E CB -0.140 29.536 29.700 -0.040 0.000 0.769 399 E HN 0.169 nan 8.360 nan 0.000 0.454 400 V N 0.231 120.136 119.914 -0.016 0.000 2.380 400 V HA -0.235 3.885 4.120 0.000 0.000 0.251 400 V C 2.560 178.659 176.094 0.009 0.000 1.063 400 V CA 2.230 64.564 62.300 0.056 0.000 1.055 400 V CB -1.588 30.280 31.823 0.074 0.000 0.657 400 V HN 0.316 nan 8.190 nan 0.000 0.455 401 A N 0.714 123.458 122.820 -0.128 0.000 1.948 401 A HA -0.039 4.281 4.320 0.000 0.000 0.220 401 A C 2.464 180.006 177.584 -0.071 0.000 1.177 401 A CA 2.752 54.691 52.037 -0.163 0.000 0.636 401 A CB -0.952 17.773 19.000 -0.457 0.000 0.815 401 A HN 0.933 nan 8.150 nan 0.000 0.449 402 A N -1.464 121.336 122.820 -0.034 0.000 1.855 402 A HA 0.075 4.395 4.320 0.000 0.000 0.213 402 A C 1.929 179.581 177.584 0.114 0.000 1.195 402 A CA 1.285 53.356 52.037 0.057 0.000 0.610 402 A CB -0.769 18.273 19.000 0.070 0.000 0.837 402 A HN 0.658 nan 8.150 nan 0.000 0.444 403 F N 0.787 120.691 119.950 -0.077 0.000 2.411 403 F HA 0.025 4.552 4.527 0.000 0.000 0.299 403 F C 1.560 177.019 175.800 -0.569 0.000 1.077 403 F CA 0.805 58.694 58.000 -0.185 0.000 1.439 403 F CB -0.008 38.909 39.000 -0.137 0.000 1.085 403 F HN 0.192 nan 8.300 nan 0.000 0.564 404 A N -0.306 122.225 122.820 -0.483 0.000 2.643 404 A HA 0.269 4.589 4.320 0.000 0.000 0.295 404 A C 0.938 178.325 177.584 -0.329 0.000 1.065 404 A CA -0.398 51.248 52.037 -0.651 0.000 0.986 404 A CB -0.462 18.337 19.000 -0.335 0.000 1.212 404 A HN 0.395 nan 8.150 nan 0.000 0.516 405 Q N 0.415 120.178 119.800 -0.062 0.000 2.307 405 Q HA 0.216 4.556 4.340 0.000 0.000 0.216 405 Q C -1.099 175.193 176.000 0.486 0.000 0.931 405 Q CA 0.203 56.153 55.803 0.244 0.000 0.953 405 Q CB -0.607 28.297 28.738 0.277 0.000 1.006 405 Q HN 0.753 nan 8.270 nan 0.000 0.472 406 F N -4.426 115.468 119.950 -0.094 0.000 3.667 406 F HA 0.306 4.833 4.527 0.000 0.000 0.396 406 F C 0.230 175.956 175.800 -0.123 0.000 1.173 406 F CA -2.005 55.934 58.000 -0.101 0.000 1.453 406 F CB -0.411 38.517 39.000 -0.120 0.000 2.117 406 F HN -0.098 nan 8.300 nan 0.000 0.789 407 G N 1.735 110.499 108.800 -0.060 0.000 2.615 407 G HA2 0.130 4.090 3.960 0.000 0.000 0.273 407 G HA3 0.130 4.090 3.960 0.000 0.000 0.273 407 G C 0.119 174.939 174.900 -0.134 0.000 0.657 407 G CA 0.078 45.111 45.100 -0.112 0.000 2.071 407 G HN 0.644 nan 8.290 nan 0.000 0.562 408 S N 2.052 117.588 115.700 -0.274 0.000 3.355 408 S HA 0.178 4.648 4.470 0.000 0.000 0.293 408 S C 0.617 175.136 174.600 -0.135 0.000 1.197 408 S CA 0.316 58.377 58.200 -0.232 0.000 1.117 408 S CB -0.238 62.681 63.200 -0.468 0.000 1.587 408 S HN 0.908 nan 8.310 nan 0.000 0.536 409 D N 0.447 120.807 120.400 -0.067 0.000 2.859 409 D HA -0.247 4.393 4.640 0.000 0.000 0.215 409 D C -0.598 175.686 176.300 -0.026 0.000 1.253 409 D CA 0.402 54.382 54.000 -0.033 0.000 0.673 409 D CB -1.623 39.168 40.800 -0.014 0.000 0.941 409 D HN 0.530 nan 8.370 nan 0.000 0.394 410 L N 0.826 122.027 121.223 -0.036 0.000 2.361 410 L HA 0.250 4.590 4.340 0.000 0.000 0.278 410 L C 1.503 178.370 176.870 -0.005 0.000 1.113 410 L CA -0.498 54.330 54.840 -0.019 0.000 0.849 410 L CB 0.181 42.221 42.059 -0.032 0.000 1.155 410 L HN 0.336 nan 8.230 nan 0.000 0.452 411 D N 3.059 123.462 120.400 0.006 0.000 1.984 411 D HA 0.081 4.721 4.640 0.000 0.000 0.251 411 D C 1.072 177.373 176.300 0.001 0.000 1.191 411 D CA 0.359 54.362 54.000 0.005 0.000 0.951 411 D CB 0.476 41.282 40.800 0.008 0.000 1.290 411 D HN 0.460 nan 8.370 nan 0.000 0.517 412 A N -1.038 121.782 122.820 -0.000 0.000 1.909 412 A HA 0.418 4.738 4.320 0.000 0.000 0.210 412 A C 2.210 179.791 177.584 -0.004 0.000 1.273 412 A CA 0.977 53.011 52.037 -0.004 0.000 0.654 412 A CB -1.312 17.684 19.000 -0.007 0.000 0.945 412 A HN 0.603 nan 8.150 nan 0.000 0.471 413 A N -0.022 122.796 122.820 -0.004 0.000 2.042 413 A HA -0.197 4.123 4.320 0.000 0.000 0.222 413 A C 2.341 179.927 177.584 0.004 0.000 1.167 413 A CA 2.794 54.828 52.037 -0.005 0.000 0.649 413 A CB -1.201 17.796 19.000 -0.005 0.000 0.809 413 A HN 0.838 nan 8.150 nan 0.000 0.457 414 T N -3.662 110.900 114.554 0.013 0.000 3.044 414 T HA 0.006 4.356 4.350 0.000 0.000 0.255 414 T C 1.861 176.579 174.700 0.030 0.000 1.073 414 T CA 1.180 63.297 62.100 0.029 0.000 1.125 414 T CB -0.125 68.768 68.868 0.041 0.000 0.908 414 T HN 0.502 nan 8.240 nan 0.000 0.480 415 Q N -0.156 119.652 119.800 0.013 0.000 2.123 415 Q HA -0.026 4.314 4.340 0.000 0.000 0.199 415 Q C 2.609 178.608 176.000 -0.002 0.000 0.966 415 Q CA 0.971 56.778 55.803 0.007 0.000 0.845 415 Q CB -0.038 28.699 28.738 -0.002 0.000 0.907 415 Q HN 0.405 nan 8.270 nan 0.000 0.439 416 Q N 0.082 119.875 119.800 -0.012 0.000 2.079 416 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 416 Q C 2.048 178.026 176.000 -0.037 0.000 0.974 416 Q CA 0.872 56.656 55.803 -0.031 0.000 0.840 416 Q CB -0.194 28.523 28.738 -0.035 0.000 0.898 416 Q HN 0.339 nan 8.270 nan 0.000 0.430 417 L N 0.676 121.895 121.223 -0.007 0.000 2.012 417 L HA -0.165 4.175 4.340 0.000 0.000 0.210 417 L C 2.203 179.091 176.870 0.029 0.000 1.073 417 L CA 1.620 56.469 54.840 0.015 0.000 0.748 417 L CB -0.871 41.222 42.059 0.057 0.000 0.891 417 L HN 0.201 nan 8.230 nan 0.000 0.431 418 L N -1.504 119.767 121.223 0.079 0.000 2.093 418 L HA -0.152 4.188 4.340 0.000 0.000 0.208 418 L C 2.413 179.268 176.870 -0.025 0.000 1.085 418 L CA 1.133 56.056 54.840 0.138 0.000 0.755 418 L CB -0.584 41.564 42.059 0.149 0.000 0.904 418 L HN 0.192 nan 8.230 nan 0.000 0.435 419 S N -0.776 114.893 115.700 -0.052 0.000 2.383 419 S HA -0.085 4.385 4.470 0.000 0.000 0.227 419 S C 2.117 176.623 174.600 -0.156 0.000 1.026 419 S CA 0.805 58.954 58.200 -0.086 0.000 0.981 419 S CB -0.107 63.056 63.200 -0.062 0.000 0.818 419 S HN 0.285 nan 8.310 nan 0.000 0.472 420 R N 1.005 121.394 120.500 -0.186 0.000 2.062 420 R HA 0.030 4.370 4.340 0.000 0.000 0.229 420 R C 2.611 178.694 176.300 -0.361 0.000 1.128 420 R CA 1.332 57.296 56.100 -0.226 0.000 0.960 420 R CB -1.453 28.732 30.300 -0.191 0.000 0.855 420 R HN 0.478 nan 8.270 nan 0.000 0.432 421 G N 0.743 109.172 108.800 -0.618 0.000 2.599 421 G HA2 -0.278 3.682 3.960 0.000 0.000 0.219 421 G HA3 -0.278 3.682 3.960 0.000 0.000 0.219 421 G C 1.567 175.871 174.900 -0.993 0.000 1.193 421 G CA 1.534 45.799 45.100 -1.393 0.000 0.778 421 G HN 0.220 nan 8.290 nan 0.000 0.589 422 V N 1.156 120.692 119.914 -0.630 0.000 2.332 422 V HA -0.184 3.936 4.120 0.000 0.000 0.248 422 V C 3.019 179.028 176.094 -0.142 0.000 1.055 422 V CA 2.043 64.225 62.300 -0.197 0.000 1.038 422 V CB -0.488 31.307 31.823 -0.046 0.000 0.651 422 V HN 0.278 nan 8.190 nan 0.000 0.450 423 R N -0.079 120.322 120.500 -0.164 0.000 2.081 423 R HA -0.035 4.305 4.340 0.000 0.000 0.235 423 R C 2.279 178.515 176.300 -0.107 0.000 1.131 423 R CA 1.274 57.303 56.100 -0.118 0.000 0.960 423 R CB -0.962 29.259 30.300 -0.132 0.000 0.856 423 R HN 0.429 nan 8.270 nan 0.000 0.436 424 L N 0.431 121.563 121.223 -0.150 0.000 2.046 424 L HA -0.159 4.181 4.340 0.000 0.000 0.208 424 L C 2.371 179.200 176.870 -0.068 0.000 1.077 424 L CA 1.463 56.236 54.840 -0.113 0.000 0.747 424 L CB -0.633 41.344 42.059 -0.137 0.000 0.896 424 L HN 0.198 nan 8.230 nan 0.000 0.432 425 T N -0.933 113.577 114.554 -0.073 0.000 2.788 425 T HA -0.159 4.191 4.350 0.000 0.000 0.268 425 T C 1.739 176.440 174.700 0.001 0.000 1.044 425 T CA 1.099 63.195 62.100 -0.007 0.000 1.139 425 T CB -0.081 68.816 68.868 0.049 0.000 0.867 425 T HN 0.304 nan 8.240 nan 0.000 0.454 426 E N 0.862 121.058 120.200 -0.007 0.000 2.152 426 E HA 0.047 4.397 4.350 0.000 0.000 0.192 426 E C 2.242 178.850 176.600 0.013 0.000 0.983 426 E CA 0.529 56.934 56.400 0.007 0.000 0.818 426 E CB -0.268 29.439 29.700 0.013 0.000 0.758 426 E HN 0.471 nan 8.360 nan 0.000 0.467 427 L N 0.401 121.628 121.223 0.007 0.000 2.156 427 L HA -0.089 4.251 4.340 0.000 0.000 0.208 427 L C 2.366 179.244 176.870 0.013 0.000 1.095 427 L CA 0.558 55.408 54.840 0.018 0.000 0.770 427 L CB -0.223 41.843 42.059 0.011 0.000 0.914 427 L HN 0.093 nan 8.230 nan 0.000 0.439 428 L N -0.636 120.590 121.223 0.005 0.000 2.376 428 L HA -0.079 4.262 4.340 0.000 0.000 0.219 428 L C 1.156 178.024 176.870 -0.003 0.000 1.133 428 L CA 0.437 55.280 54.840 0.004 0.000 0.816 428 L CB -0.420 41.643 42.059 0.007 0.000 0.933 428 L HN 0.182 nan 8.230 nan 0.000 0.449 429 K N 0.798 121.195 120.400 -0.005 0.000 2.286 429 K HA 0.177 4.498 4.320 0.000 0.000 0.256 429 K C -0.059 176.528 176.600 -0.022 0.000 0.999 429 K CA 0.398 56.673 56.287 -0.021 0.000 0.908 429 K CB 0.497 32.985 32.500 -0.020 0.000 0.981 429 K HN 0.013 nan 8.250 nan 0.000 0.500 430 Q N -0.715 119.061 119.800 -0.041 0.000 2.541 430 Q HA 0.210 4.550 4.340 0.000 0.000 0.259 430 Q C -0.935 175.029 176.000 -0.059 0.000 0.974 430 Q CA -0.463 55.318 55.803 -0.038 0.000 0.955 430 Q CB 1.576 30.295 28.738 -0.031 0.000 1.517 430 Q HN 0.837 nan 8.270 nan 0.000 0.412 431 G N 1.257 110.030 108.800 -0.045 0.000 2.553 431 G HA2 0.291 4.251 3.960 0.000 0.000 0.278 431 G HA3 0.291 4.251 3.960 0.000 0.000 0.278 431 G C -0.592 174.258 174.900 -0.084 0.000 1.349 431 G CA -0.124 44.944 45.100 -0.052 0.000 1.037 431 G HN 0.503 nan 8.290 nan 0.000 0.508 432 Q N -1.551 118.185 119.800 -0.107 0.000 2.226 432 Q HA 0.370 4.710 4.340 0.000 0.000 0.256 432 Q C -0.722 175.188 176.000 -0.149 0.000 0.962 432 Q CA -0.603 55.013 55.803 -0.311 0.000 0.887 432 Q CB 1.339 29.702 28.738 -0.625 0.000 1.282 432 Q HN 0.553 nan 8.270 nan 0.000 0.449 433 Y N -1.273 119.023 120.300 -0.006 0.000 4.798 433 Y HA -0.256 4.294 4.550 0.000 0.000 0.237 433 Y C 0.181 176.073 175.900 -0.012 0.000 1.017 433 Y CA 0.747 58.841 58.100 -0.010 0.000 2.010 433 Y CB -1.950 36.503 38.460 -0.012 0.000 1.582 433 Y HN 0.362 nan 8.280 nan 0.000 0.621 434 S N 0.141 115.886 115.700 0.075 0.000 2.272 434 S HA 0.331 4.801 4.470 0.000 0.000 0.207 434 S C -2.459 172.150 174.600 0.014 0.000 1.336 434 S CA -0.932 57.295 58.200 0.046 0.000 1.259 434 S CB 0.607 63.830 63.200 0.037 0.000 1.130 434 S HN -0.005 nan 8.310 nan 0.000 0.444 435 P HA 0.036 nan 4.420 nan 0.000 0.261 435 P C -0.229 177.067 177.300 -0.007 0.000 1.183 435 P CA 0.508 63.611 63.100 0.004 0.000 0.761 435 P CB 0.174 31.882 31.700 0.013 0.000 0.785 436 M N 2.113 121.710 119.600 -0.005 0.000 2.291 436 M HA 0.478 4.958 4.480 0.000 0.000 0.324 436 M C 0.739 177.033 176.300 -0.011 0.000 1.148 436 M CA -0.717 54.575 55.300 -0.013 0.000 1.104 436 M CB 1.046 33.642 32.600 -0.007 0.000 1.483 436 M HN 0.278 nan 8.290 nan 0.000 0.467 437 A N 1.276 124.080 122.820 -0.027 0.000 2.371 437 A HA 0.269 4.589 4.320 0.000 0.000 0.257 437 A C 0.916 178.503 177.584 0.005 0.000 1.089 437 A CA -0.532 51.492 52.037 -0.022 0.000 0.794 437 A CB 0.147 19.115 19.000 -0.053 0.000 1.029 437 A HN 0.930 nan 8.150 nan 0.000 0.488 438 I N 1.100 121.690 120.570 0.034 0.000 2.145 438 I HA -0.285 3.885 4.170 0.000 0.000 0.244 438 I C 2.610 178.738 176.117 0.019 0.000 1.075 438 I CA 2.592 63.913 61.300 0.036 0.000 1.332 438 I CB -0.269 37.763 38.000 0.053 0.000 1.033 438 I HN 0.865 nan 8.210 nan 0.000 0.410 439 E N 0.307 120.509 120.200 0.004 0.000 2.118 439 E HA -0.296 4.054 4.350 0.000 0.000 0.195 439 E C 1.919 178.510 176.600 -0.016 0.000 0.992 439 E CA 1.785 58.178 56.400 -0.011 0.000 0.804 439 E CB -0.805 28.878 29.700 -0.029 0.000 0.741 439 E HN 0.649 nan 8.360 nan 0.000 0.458 440 E N 0.893 121.080 120.200 -0.022 0.000 2.077 440 E HA -0.166 4.184 4.350 0.000 0.000 0.193 440 E C 2.367 178.975 176.600 0.014 0.000 0.989 440 E CA 1.601 57.986 56.400 -0.025 0.000 0.800 440 E CB -0.015 29.661 29.700 -0.040 0.000 0.746 440 E HN 0.416 nan 8.360 nan 0.000 0.452 441 Q N 0.047 119.861 119.800 0.022 0.000 2.020 441 Q HA -0.156 4.185 4.340 0.000 0.000 0.202 441 Q C 2.420 178.458 176.000 0.064 0.000 0.982 441 Q CA 1.602 57.428 55.803 0.039 0.000 0.838 441 Q CB -0.239 28.518 28.738 0.032 0.000 0.899 441 Q HN 0.180 nan 8.270 nan 0.000 0.423 442 V N 1.623 121.572 119.914 0.059 0.000 2.250 442 V HA -0.357 3.763 4.120 0.000 0.000 0.250 442 V C 2.428 178.603 176.094 0.135 0.000 1.060 442 V CA 2.035 64.386 62.300 0.085 0.000 1.030 442 V CB -1.261 30.595 31.823 0.056 0.000 0.643 442 V HN 0.455 nan 8.190 nan 0.000 0.445 443 A N 0.315 123.198 122.820 0.105 0.000 1.892 443 A HA -0.220 4.100 4.320 0.000 0.000 0.218 443 A C 2.464 180.246 177.584 0.330 0.000 1.188 443 A CA 2.846 54.992 52.037 0.182 0.000 0.631 443 A CB -0.934 18.128 19.000 0.103 0.000 0.822 443 A HN 0.777 nan 8.150 nan 0.000 0.447 444 V N -1.438 118.622 119.914 0.243 0.000 2.453 444 V HA -0.124 3.996 4.120 0.000 0.000 0.247 444 V C 2.079 178.251 176.094 0.131 0.000 1.048 444 V CA 1.727 64.142 62.300 0.192 0.000 1.049 444 V CB -0.721 31.186 31.823 0.140 0.000 0.672 444 V HN 0.431 nan 8.190 nan 0.000 0.457 445 I N -0.162 120.480 120.570 0.121 0.000 2.315 445 I HA -0.140 4.030 4.170 0.000 0.000 0.248 445 I C 2.547 178.712 176.117 0.080 0.000 1.117 445 I CA 2.066 63.411 61.300 0.075 0.000 1.404 445 I CB -1.744 36.292 38.000 0.060 0.000 1.071 445 I HN 0.487 nan 8.210 nan 0.000 0.419 446 Y N 2.573 122.892 120.300 0.031 0.000 2.040 446 Y HA -0.360 4.190 4.550 0.000 0.000 0.275 446 Y C 2.730 178.651 175.900 0.036 0.000 1.171 446 Y CA 2.468 60.593 58.100 0.042 0.000 1.123 446 Y CB -0.448 38.065 38.460 0.087 0.000 0.963 446 Y HN 0.136 nan 8.280 nan 0.000 0.493 447 A N -0.023 122.911 122.820 0.190 0.000 1.917 447 A HA -0.210 4.110 4.320 0.000 0.000 0.219 447 A C 2.454 179.986 177.584 -0.086 0.000 1.182 447 A CA 2.196 54.281 52.037 0.079 0.000 0.633 447 A CB -1.748 17.225 19.000 -0.046 0.000 0.819 447 A HN 0.664 nan 8.150 nan 0.000 0.448 448 G N -1.171 107.572 108.800 -0.096 0.000 2.395 448 G HA2 0.016 3.976 3.960 0.000 0.000 0.214 448 G HA3 0.016 3.976 3.960 0.000 0.000 0.214 448 G C 1.457 176.228 174.900 -0.215 0.000 1.177 448 G CA 0.930 45.944 45.100 -0.145 0.000 0.794 448 G HN 0.308 nan 8.290 nan 0.000 0.532 449 V N 1.136 120.926 119.914 -0.207 0.000 2.568 449 V HA -0.088 4.032 4.120 0.000 0.000 0.253 449 V C 2.464 178.353 176.094 -0.342 0.000 1.072 449 V CA 1.322 63.486 62.300 -0.228 0.000 1.084 449 V CB -0.356 31.368 31.823 -0.165 0.000 0.676 449 V HN 0.195 nan 8.190 nan 0.000 0.469 450 R N -0.049 120.134 120.500 -0.529 0.000 2.356 450 R HA 0.243 4.583 4.340 0.000 0.000 0.234 450 R C 1.763 177.531 176.300 -0.886 0.000 0.929 450 R CA 0.578 56.211 56.100 -0.779 0.000 1.084 450 R CB -0.574 29.032 30.300 -1.157 0.000 1.105 450 R HN 0.556 nan 8.270 nan 0.000 0.515 451 G N 0.764 109.233 108.800 -0.552 0.000 2.196 451 G HA2 -0.384 3.576 3.960 0.000 0.000 0.268 451 G HA3 -0.384 3.576 3.960 0.000 0.000 0.268 451 G C 0.586 175.264 174.900 -0.370 0.000 0.975 451 G CA 0.731 45.585 45.100 -0.410 0.000 0.648 451 G HN 0.367 nan 8.290 nan 0.000 0.538 452 Y N 0.052 120.248 120.300 -0.174 0.000 2.384 452 Y HA 0.090 4.640 4.550 0.000 0.000 0.289 452 Y C 2.685 178.464 175.900 -0.203 0.000 1.152 452 Y CA 1.443 59.449 58.100 -0.158 0.000 1.258 452 Y CB -0.340 38.042 38.460 -0.129 0.000 0.979 452 Y HN 0.422 nan 8.280 nan 0.000 0.549 453 L N -0.907 120.231 121.223 -0.141 0.000 2.640 453 L HA 0.068 4.408 4.340 0.000 0.000 0.230 453 L C 1.143 177.918 176.870 -0.159 0.000 1.123 453 L CA 0.010 54.721 54.840 -0.214 0.000 0.900 453 L CB -0.142 41.751 42.059 -0.277 0.000 1.146 453 L HN -0.023 nan 8.230 nan 0.000 0.484 454 D N 1.432 121.750 120.400 -0.138 0.000 2.239 454 D HA -0.196 4.444 4.640 0.000 0.000 0.202 454 D C 1.794 178.043 176.300 -0.085 0.000 0.993 454 D CA 1.398 55.329 54.000 -0.115 0.000 0.874 454 D CB 0.082 40.813 40.800 -0.115 0.000 0.922 454 D HN 0.316 nan 8.370 nan 0.000 0.464 455 K N -0.623 119.731 120.400 -0.076 0.000 2.367 455 K HA 0.099 4.419 4.320 0.000 0.000 0.194 455 K C 0.612 177.180 176.600 -0.052 0.000 1.027 455 K CA -0.476 55.779 56.287 -0.054 0.000 1.075 455 K CB 0.567 33.046 32.500 -0.035 0.000 0.845 455 K HN 0.027 nan 8.250 nan 0.000 0.529 456 L N 1.838 123.013 121.223 -0.081 0.000 2.472 456 L HA 0.077 4.418 4.340 0.000 0.000 0.260 456 L C 0.029 176.878 176.870 -0.036 0.000 1.209 456 L CA 0.208 55.009 54.840 -0.066 0.000 0.817 456 L CB 0.644 42.617 42.059 -0.144 0.000 1.106 456 L HN 0.003 nan 8.230 nan 0.000 0.479 457 E N 3.825 124.024 120.200 -0.001 0.000 2.259 457 E HA 0.189 4.539 4.350 0.000 0.000 0.281 457 E C -1.853 174.756 176.600 0.015 0.000 1.027 457 E CA -1.744 54.660 56.400 0.007 0.000 0.838 457 E CB 1.320 31.031 29.700 0.018 0.000 1.066 457 E HN 0.487 nan 8.360 nan 0.000 0.401 458 P HA -0.277 nan 4.420 nan 0.000 0.217 458 P C 1.179 178.499 177.300 0.034 0.000 1.158 458 P CA 1.857 64.963 63.100 0.010 0.000 0.887 458 P CB 0.034 31.739 31.700 0.008 0.000 0.792 459 S N -1.335 114.389 115.700 0.040 0.000 2.440 459 S HA -0.131 4.339 4.470 0.000 0.000 0.238 459 S C 1.692 176.342 174.600 0.083 0.000 1.010 459 S CA 0.972 59.203 58.200 0.053 0.000 0.972 459 S CB -0.754 62.472 63.200 0.044 0.000 0.774 459 S HN 0.144 nan 8.310 nan 0.000 0.501 460 K N 1.430 121.891 120.400 0.101 0.000 2.137 460 K HA 0.272 4.592 4.320 0.000 0.000 0.202 460 K C 2.038 178.770 176.600 0.220 0.000 1.052 460 K CA 0.564 56.960 56.287 0.182 0.000 0.961 460 K CB -0.635 31.992 32.500 0.211 0.000 0.741 460 K HN 0.430 nan 8.250 nan 0.000 0.452 461 I N 1.332 121.983 120.570 0.136 0.000 2.147 461 I HA -0.393 3.777 4.170 0.000 0.000 0.245 461 I C 2.168 178.393 176.117 0.181 0.000 1.059 461 I CA 1.708 63.089 61.300 0.134 0.000 1.320 461 I CB -0.907 37.125 38.000 0.054 0.000 1.021 461 I HN 0.168 nan 8.210 nan 0.000 0.415 462 T N 0.148 114.783 114.554 0.135 0.000 2.708 462 T HA -0.201 4.149 4.350 0.000 0.000 0.266 462 T C 1.991 176.771 174.700 0.135 0.000 1.037 462 T CA 1.442 63.608 62.100 0.110 0.000 1.146 462 T CB -0.128 68.786 68.868 0.075 0.000 0.865 462 T HN 0.287 nan 8.240 nan 0.000 0.435 463 K N -0.124 120.390 120.400 0.190 0.000 2.026 463 K HA -0.105 4.215 4.320 0.000 0.000 0.208 463 K C 2.080 178.830 176.600 0.250 0.000 1.048 463 K CA 1.367 57.801 56.287 0.245 0.000 0.929 463 K CB -0.332 32.363 32.500 0.325 0.000 0.713 463 K HN 0.319 nan 8.250 nan 0.000 0.439 464 F N 2.256 122.242 119.950 0.059 0.000 2.043 464 F HA -0.270 4.257 4.527 0.000 0.000 0.297 464 F C 2.266 177.979 175.800 -0.145 0.000 1.121 464 F CA 2.204 59.980 58.000 -0.375 0.000 1.199 464 F CB -0.523 38.218 39.000 -0.432 0.000 0.968 464 F HN 0.165 nan 8.300 nan 0.000 0.478 465 E N 0.141 120.269 120.200 -0.121 0.000 2.147 465 E HA -0.291 4.060 4.350 0.000 0.000 0.199 465 E C 1.932 178.445 176.600 -0.145 0.000 1.005 465 E CA 1.677 57.980 56.400 -0.162 0.000 0.810 465 E CB -0.350 29.366 29.700 0.026 0.000 0.736 465 E HN 0.562 nan 8.360 nan 0.000 0.460 466 N N 0.114 118.776 118.700 -0.063 0.000 2.216 466 N HA -0.121 4.619 4.740 0.000 0.000 0.183 466 N C 1.776 177.261 175.510 -0.042 0.000 1.017 466 N CA 1.077 54.109 53.050 -0.029 0.000 0.861 466 N CB -0.184 38.319 38.487 0.027 0.000 0.986 466 N HN 0.214 nan 8.380 nan 0.000 0.428 467 A N 1.458 124.265 122.820 -0.022 0.000 1.841 467 A HA -0.138 4.182 4.320 0.000 0.000 0.214 467 A C 2.081 179.612 177.584 -0.088 0.000 1.195 467 A CA 0.965 53.068 52.037 0.109 0.000 0.611 467 A CB -1.133 18.074 19.000 0.346 0.000 0.835 467 A HN 0.246 nan 8.150 nan 0.000 0.443 468 F N 0.276 119.799 119.950 -0.710 0.000 2.027 468 F HA -0.237 4.290 4.527 0.000 0.000 0.297 468 F C 1.911 177.331 175.800 -0.634 0.000 1.129 468 F CA 2.086 59.374 58.000 -1.187 0.000 1.195 468 F CB -0.607 37.518 39.000 -1.458 0.000 0.960 468 F HN 0.169 nan 8.300 nan 0.000 0.485 469 L N 0.095 121.049 121.223 -0.448 0.000 2.129 469 L HA -0.238 4.102 4.340 0.000 0.000 0.212 469 L C 2.548 179.229 176.870 -0.314 0.000 1.087 469 L CA 1.901 56.519 54.840 -0.371 0.000 0.757 469 L CB -1.409 40.555 42.059 -0.158 0.000 0.896 469 L HN 0.226 nan 8.230 nan 0.000 0.434 470 S N -1.895 113.675 115.700 -0.217 0.000 2.345 470 S HA -0.233 4.237 4.470 0.000 0.000 0.220 470 S C 1.851 176.388 174.600 -0.106 0.000 1.031 470 S CA 1.224 59.360 58.200 -0.106 0.000 0.996 470 S CB -0.364 62.834 63.200 -0.004 0.000 0.882 470 S HN 0.671 nan 8.310 nan 0.000 0.445 471 H N 2.176 121.083 119.070 -0.273 0.000 2.254 471 H HA -0.124 4.432 4.556 0.000 0.000 0.294 471 H C 2.191 177.366 175.328 -0.256 0.000 1.071 471 H CA 2.545 58.452 56.048 -0.235 0.000 1.228 471 H CB -0.981 28.549 29.762 -0.387 0.000 1.358 471 H HN 0.198 nan 8.280 nan 0.000 0.495 472 V N -0.547 118.963 119.914 -0.673 0.000 2.324 472 V HA -0.239 3.881 4.120 0.000 0.000 0.250 472 V C 2.599 178.507 176.094 -0.310 0.000 1.060 472 V CA 2.250 64.192 62.300 -0.597 0.000 1.042 472 V CB -1.031 30.332 31.823 -0.768 0.000 0.650 472 V HN 0.489 nan 8.190 nan 0.000 0.450 473 I N 1.424 121.833 120.570 -0.269 0.000 2.179 473 I HA -0.217 3.953 4.170 0.000 0.000 0.242 473 I C 2.968 179.010 176.117 -0.125 0.000 1.088 473 I CA 2.162 63.360 61.300 -0.170 0.000 1.357 473 I CB -0.535 37.380 38.000 -0.142 0.000 1.051 473 I HN 0.593 nan 8.210 nan 0.000 0.409 474 S N 0.195 115.831 115.700 -0.107 0.000 2.329 474 S HA -0.184 4.286 4.470 0.000 0.000 0.215 474 S C 1.963 176.510 174.600 -0.088 0.000 1.031 474 S CA 1.029 59.188 58.200 -0.069 0.000 0.985 474 S CB -0.336 62.852 63.200 -0.020 0.000 0.917 474 S HN 0.373 nan 8.310 nan 0.000 0.441 475 Q N 0.204 119.944 119.800 -0.099 0.000 1.890 475 Q HA -0.083 4.257 4.340 0.000 0.000 0.208 475 Q C 1.492 177.312 176.000 -0.300 0.000 0.982 475 Q CA 1.651 57.344 55.803 -0.183 0.000 0.856 475 Q CB -0.567 28.063 28.738 -0.180 0.000 0.915 475 Q HN 0.764 nan 8.270 nan 0.000 0.427 476 H N 1.572 120.462 119.070 -0.300 0.000 2.996 476 H HA -0.044 4.512 4.556 0.000 0.000 0.285 476 H C 1.211 176.422 175.328 -0.195 0.000 1.092 476 H CA 0.412 56.310 56.048 -0.250 0.000 1.221 476 H CB -0.695 28.877 29.762 -0.317 0.000 1.277 476 H HN 0.361 nan 8.280 nan 0.000 0.668 477 Q N -0.604 119.133 119.800 -0.105 0.000 2.561 477 Q HA -0.032 4.308 4.340 0.000 0.000 0.217 477 Q C 1.881 177.837 176.000 -0.073 0.000 0.980 477 Q CA 0.833 56.584 55.803 -0.088 0.000 0.927 477 Q CB 0.096 28.782 28.738 -0.086 0.000 0.980 477 Q HN 0.543 nan 8.270 nan 0.000 0.525 478 A N 1.211 123.987 122.820 -0.074 0.000 1.975 478 A HA 0.023 4.343 4.320 0.000 0.000 0.215 478 A C 1.937 179.495 177.584 -0.044 0.000 1.170 478 A CA 0.377 52.378 52.037 -0.059 0.000 0.656 478 A CB -0.265 18.694 19.000 -0.068 0.000 0.821 478 A HN 0.430 nan 8.150 nan 0.000 0.449 479 L N -0.541 120.661 121.223 -0.035 0.000 2.209 479 L HA 0.021 4.361 4.340 0.000 0.000 0.207 479 L C 2.269 179.102 176.870 -0.060 0.000 1.094 479 L CA 0.682 55.497 54.840 -0.041 0.000 0.790 479 L CB -0.169 41.868 42.059 -0.038 0.000 0.932 479 L HN 0.386 nan 8.230 nan 0.000 0.447 480 L N -0.786 120.395 121.223 -0.069 0.000 2.027 480 L HA -0.111 4.230 4.340 0.000 0.000 0.206 480 L C 2.552 179.389 176.870 -0.054 0.000 1.074 480 L CA 1.407 56.203 54.840 -0.074 0.000 0.745 480 L CB -1.137 40.867 42.059 -0.091 0.000 0.898 480 L HN 0.311 nan 8.230 nan 0.000 0.433 481 G N -0.594 108.176 108.800 -0.050 0.000 2.471 481 G HA2 -0.222 3.738 3.960 0.000 0.000 0.219 481 G HA3 -0.222 3.738 3.960 0.000 0.000 0.219 481 G C 1.736 176.617 174.900 -0.030 0.000 1.125 481 G CA 0.343 45.419 45.100 -0.039 0.000 0.775 481 G HN 0.217 nan 8.290 nan 0.000 0.548 482 K N -0.119 120.261 120.400 -0.033 0.000 2.044 482 K HA 0.146 4.466 4.320 0.000 0.000 0.204 482 K C 2.447 179.033 176.600 -0.024 0.000 1.049 482 K CA 0.400 56.672 56.287 -0.026 0.000 0.945 482 K CB -0.174 32.309 32.500 -0.028 0.000 0.724 482 K HN 0.298 nan 8.250 nan 0.000 0.440 483 I N 0.849 121.400 120.570 -0.032 0.000 2.163 483 I HA -0.316 3.854 4.170 0.000 0.000 0.243 483 I C 2.754 178.861 176.117 -0.015 0.000 1.085 483 I CA 1.181 62.465 61.300 -0.028 0.000 1.347 483 I CB -0.216 37.759 38.000 -0.042 0.000 1.044 483 I HN 0.221 nan 8.210 nan 0.000 0.408 484 R N 0.189 120.680 120.500 -0.016 0.000 2.073 484 R HA -0.157 4.183 4.340 0.000 0.000 0.234 484 R C 2.288 178.589 176.300 0.002 0.000 1.134 484 R CA 2.118 58.216 56.100 -0.004 0.000 0.952 484 R CB -0.324 29.971 30.300 -0.009 0.000 0.850 484 R HN 0.230 nan 8.270 nan 0.000 0.433 485 T N 1.059 115.610 114.554 -0.005 0.000 2.612 485 T HA -0.111 4.239 4.350 0.000 0.000 0.259 485 T C 1.150 175.849 174.700 -0.001 0.000 1.065 485 T CA 1.724 63.823 62.100 -0.002 0.000 1.167 485 T CB -0.441 68.423 68.868 -0.007 0.000 0.863 485 T HN 0.321 nan 8.240 nan 0.000 0.407 486 D N 0.329 120.726 120.400 -0.005 0.000 2.190 486 D HA 0.002 4.642 4.640 0.000 0.000 0.200 486 D C 1.718 178.019 176.300 0.000 0.000 0.992 486 D CA 1.401 55.399 54.000 -0.003 0.000 0.854 486 D CB -0.658 40.139 40.800 -0.004 0.000 0.936 486 D HN 0.577 nan 8.370 nan 0.000 0.462 487 G N -0.115 108.686 108.800 0.001 0.000 2.184 487 G HA2 -0.340 3.620 3.960 0.000 0.000 0.264 487 G HA3 -0.340 3.620 3.960 0.000 0.000 0.264 487 G C 0.520 175.423 174.900 0.005 0.000 0.975 487 G CA 0.802 45.904 45.100 0.004 0.000 0.642 487 G HN 0.498 nan 8.290 nan 0.000 0.536 488 K N -0.516 119.886 120.400 0.004 0.000 2.349 488 K HA 0.765 5.085 4.320 0.000 0.000 0.243 488 K C -0.736 175.867 176.600 0.005 0.000 1.058 488 K CA -1.187 55.105 56.287 0.008 0.000 0.871 488 K CB 1.170 33.675 32.500 0.008 0.000 1.337 488 K HN 0.067 nan 8.250 nan 0.000 0.469 489 I N 3.038 123.616 120.570 0.013 0.000 2.388 489 I HA 0.093 4.264 4.170 0.000 0.000 0.281 489 I C 0.324 176.450 176.117 0.015 0.000 1.046 489 I CA -0.533 60.772 61.300 0.008 0.000 1.187 489 I CB 1.340 39.355 38.000 0.025 0.000 1.351 489 I HN 0.585 nan 8.210 nan 0.000 0.472 490 S N 3.250 118.953 115.700 0.004 0.000 2.596 490 S HA 0.124 4.594 4.470 0.000 0.000 0.260 490 S C 1.022 175.631 174.600 0.015 0.000 1.336 490 S CA -0.477 57.728 58.200 0.009 0.000 0.993 490 S CB 1.068 64.269 63.200 0.003 0.000 0.923 490 S HN 0.576 nan 8.310 nan 0.000 0.567 491 E N 0.628 120.840 120.200 0.020 0.000 2.085 491 E HA -0.157 4.193 4.350 0.000 0.000 0.194 491 E C 1.930 178.544 176.600 0.024 0.000 0.994 491 E CA 1.569 57.986 56.400 0.028 0.000 0.801 491 E CB -0.199 29.517 29.700 0.026 0.000 0.743 491 E HN 0.867 nan 8.360 nan 0.000 0.453 492 E N 0.205 120.413 120.200 0.013 0.000 2.072 492 E HA -0.114 4.236 4.350 0.000 0.000 0.190 492 E C 1.901 178.499 176.600 -0.004 0.000 0.982 492 E CA 1.055 57.460 56.400 0.008 0.000 0.803 492 E CB 0.049 29.752 29.700 0.005 0.000 0.755 492 E HN 0.075 nan 8.360 nan 0.000 0.453 493 S N 0.697 116.388 115.700 -0.016 0.000 2.370 493 S HA -0.216 4.254 4.470 0.000 0.000 0.226 493 S C 1.571 176.127 174.600 -0.073 0.000 1.033 493 S CA 1.597 59.770 58.200 -0.045 0.000 1.011 493 S CB -0.378 62.791 63.200 -0.051 0.000 0.852 493 S HN 0.413 nan 8.310 nan 0.000 0.457 494 D N 0.780 121.160 120.400 -0.034 0.000 2.263 494 D HA -0.008 4.632 4.640 0.000 0.000 0.208 494 D C 1.732 178.055 176.300 0.038 0.000 0.971 494 D CA 1.061 55.058 54.000 -0.004 0.000 0.867 494 D CB -0.125 40.732 40.800 0.095 0.000 0.929 494 D HN 0.364 nan 8.370 nan 0.000 0.492 495 A N -0.071 122.765 122.820 0.026 0.000 1.878 495 A HA 0.013 4.333 4.320 0.000 0.000 0.213 495 A C 2.091 179.682 177.584 0.012 0.000 1.192 495 A CA 1.030 53.089 52.037 0.037 0.000 0.619 495 A CB -0.406 18.614 19.000 0.034 0.000 0.837 495 A HN 0.046 nan 8.150 nan 0.000 0.446 496 K N 0.341 120.735 120.400 -0.010 0.000 2.097 496 K HA 0.011 4.331 4.320 0.000 0.000 0.206 496 K C 1.716 178.288 176.600 -0.046 0.000 1.049 496 K CA 1.279 57.559 56.287 -0.012 0.000 0.933 496 K CB -0.695 31.803 32.500 -0.004 0.000 0.717 496 K HN 0.470 nan 8.250 nan 0.000 0.442 497 L N 0.426 121.588 121.223 -0.103 0.000 2.017 497 L HA -0.176 4.164 4.340 0.000 0.000 0.208 497 L C 2.567 179.416 176.870 -0.035 0.000 1.073 497 L CA 1.684 56.426 54.840 -0.164 0.000 0.745 497 L CB -0.452 41.297 42.059 -0.517 0.000 0.894 497 L HN 0.265 nan 8.230 nan 0.000 0.432 498 K N 0.230 120.651 120.400 0.034 0.000 2.044 498 K HA -0.283 4.037 4.320 0.000 0.000 0.210 498 K C 1.986 178.514 176.600 -0.121 0.000 1.049 498 K CA 1.885 58.163 56.287 -0.014 0.000 0.927 498 K CB -0.111 32.426 32.500 0.061 0.000 0.713 498 K HN 0.273 nan 8.250 nan 0.000 0.443 499 E N 0.463 120.641 120.200 -0.036 0.000 2.049 499 E HA -0.224 4.126 4.350 0.000 0.000 0.198 499 E C 2.089 178.703 176.600 0.024 0.000 1.007 499 E CA 1.889 58.284 56.400 -0.008 0.000 0.809 499 E CB -0.149 29.564 29.700 0.022 0.000 0.749 499 E HN 0.382 nan 8.360 nan 0.000 0.450 500 I N 0.565 121.154 120.570 0.033 0.000 2.127 500 I HA -0.281 3.889 4.170 0.000 0.000 0.241 500 I C 2.724 178.985 176.117 0.239 0.000 1.075 500 I CA 1.334 62.690 61.300 0.093 0.000 1.334 500 I CB -0.580 37.377 38.000 -0.073 0.000 1.040 500 I HN 0.164 nan 8.210 nan 0.000 0.405 501 V N 0.513 120.543 119.914 0.193 0.000 2.261 501 V HA -0.278 3.842 4.120 0.000 0.000 0.246 501 V C 2.561 178.719 176.094 0.107 0.000 1.047 501 V CA 2.657 65.052 62.300 0.159 0.000 1.015 501 V CB -1.368 30.431 31.823 -0.041 0.000 0.642 501 V HN 0.640 nan 8.190 nan 0.000 0.446 502 T N -0.673 113.828 114.554 -0.087 0.000 2.684 502 T HA -0.239 4.111 4.350 0.000 0.000 0.267 502 T C 1.877 176.611 174.700 0.057 0.000 1.036 502 T CA 2.025 64.078 62.100 -0.079 0.000 1.148 502 T CB -0.915 67.832 68.868 -0.202 0.000 0.863 502 T HN 0.589 nan 8.240 nan 0.000 0.436 503 N N 0.777 119.536 118.700 0.097 0.000 2.080 503 N HA 0.014 4.754 4.740 0.000 0.000 0.189 503 N C 1.594 177.219 175.510 0.191 0.000 1.036 503 N CA 1.175 54.299 53.050 0.123 0.000 0.846 503 N CB -0.659 37.895 38.487 0.112 0.000 1.015 503 N HN 0.428 nan 8.380 nan 0.000 0.423 504 F N 2.603 122.626 119.950 0.123 0.000 2.120 504 F HA -0.138 4.389 4.527 0.000 0.000 0.300 504 F C 2.277 178.226 175.800 0.248 0.000 1.095 504 F CA 0.980 59.074 58.000 0.156 0.000 1.249 504 F CB -0.387 38.746 39.000 0.222 0.000 0.995 504 F HN -0.020 nan 8.300 nan 0.000 0.480 505 L N 0.294 121.829 121.223 0.519 0.000 2.013 505 L HA -0.237 4.103 4.340 0.000 0.000 0.212 505 L C 2.520 179.525 176.870 0.225 0.000 1.073 505 L CA 2.175 57.241 54.840 0.377 0.000 0.753 505 L CB -1.517 40.620 42.059 0.130 0.000 0.890 505 L HN 0.343 nan 8.230 nan 0.000 0.432 506 A N -0.193 122.705 122.820 0.129 0.000 1.865 506 A HA -0.175 4.145 4.320 0.000 0.000 0.217 506 A C 2.356 179.960 177.584 0.033 0.000 1.191 506 A CA 1.834 53.911 52.037 0.066 0.000 0.623 506 A CB -1.404 17.622 19.000 0.043 0.000 0.826 506 A HN 0.522 nan 8.150 nan 0.000 0.444 507 G N -1.669 107.130 108.800 -0.002 0.000 2.442 507 G HA2 -0.241 3.719 3.960 0.000 0.000 0.219 507 G HA3 -0.241 3.719 3.960 0.000 0.000 0.219 507 G C 1.452 176.298 174.900 -0.090 0.000 1.141 507 G CA 1.132 46.187 45.100 -0.075 0.000 0.763 507 G HN 0.490 nan 8.290 nan 0.000 0.554 508 F N 1.089 120.901 119.950 -0.230 0.000 2.234 508 F HA 0.088 4.615 4.527 0.000 0.000 0.299 508 F C 2.120 177.889 175.800 -0.050 0.000 1.087 508 F CA 1.171 59.072 58.000 -0.165 0.000 1.340 508 F CB 0.249 39.233 39.000 -0.026 0.000 1.031 508 F HN 0.146 nan 8.300 nan 0.000 0.500 509 E N 0.934 121.151 120.200 0.028 0.000 2.349 509 E HA 0.235 4.585 4.350 0.000 0.000 0.201 509 E C 0.539 177.088 176.600 -0.084 0.000 1.087 509 E CA -0.240 56.130 56.400 -0.050 0.000 1.128 509 E CB -0.082 29.641 29.700 0.038 0.000 1.188 509 E HN 0.348 nan 8.360 nan 0.000 0.445 510 A N 0.000 122.747 122.820 -0.121 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.980 52.037 -0.095 0.000 0.836 510 A CB 0.000 18.941 19.000 -0.098 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486