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 2d32_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIPDVSQALA WLEKHPQALK GIQRGLERET LRVNADGTLA TTGHPEALGS DATA SEQUENCE ALTHKWITTD FAEALLEFIT PVDGDIEHML TFMRDLHRYT ARNMGDERMW DATA SEQUENCE PLSMPSYIAE GQDIELAQYG TSNTGRFKTL YREGLKNRYG ALMQTISGVH DATA SEQUENCE YNFSLPMAFW QAKXXXXXXX XXKEKISAGY FRVIRNYYRF GWVIPYLFGA DATA SEQUENCE SPAISSSFLX XXXTSLPFEK TESGMYYLPY ATSLRLSDLG YTNXXQSNLG DATA SEQUENCE ITFNDLYEYV AGLKQAIKTP SEEYAKIGIE KDGKRLQINS NVLQIENELY DATA SEQUENCE APIRPKRVTR XXESPSDALL RGGIEYIEVR SLDINPFSPI GVDEQQVRFL DATA SEQUENCE DLFMVWCALA DAPEMSSSEL AcTRVNWNRV ILEGRKPGLT LGIGcETAQF DATA SEQUENCE PLPQVGKDLF RDLKRVAQTL DSINGGEAYQ KVCDELVACF DNPDLTFSAR DATA SEQUENCE ILRSMIDTGI GGTGKAFAEA YRNLLREEPL EILREEDFVA EREASERRQQ DATA SEQUENCE EMEAAXXEPF AVWLEKHA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.215 176.300 -0.141 0.000 1.140 1 M CA 0.000 54.942 55.300 -0.597 0.000 0.988 1 M CB 0.000 31.919 32.600 -1.135 0.000 1.302 2 I N 5.206 125.672 120.570 -0.173 0.000 2.396 2 I HA 0.335 4.504 4.170 -0.002 0.000 0.289 2 I C -1.814 174.272 176.117 -0.052 0.000 1.056 2 I CA -1.609 59.572 61.300 -0.199 0.000 1.365 2 I CB 0.111 37.956 38.000 -0.258 0.000 1.407 2 I HN 0.220 nan 8.210 nan 0.000 0.509 3 P HA 0.029 nan 4.420 nan 0.000 0.269 3 P C -0.540 176.790 177.300 0.051 0.000 1.217 3 P CA -0.213 62.922 63.100 0.057 0.000 0.783 3 P CB 0.685 32.426 31.700 0.068 0.000 0.898 4 D N -0.142 120.277 120.400 0.032 0.000 2.312 4 D HA 0.194 4.832 4.640 -0.002 0.000 0.252 4 D C 0.207 176.509 176.300 0.004 0.000 1.150 4 D CA -0.278 53.740 54.000 0.029 0.000 0.870 4 D CB 0.357 41.172 40.800 0.025 0.000 1.153 4 D HN -0.065 nan 8.370 nan 0.000 0.457 5 V N 3.061 122.985 119.914 0.017 0.000 3.166 5 V HA 0.002 4.121 4.120 -0.002 0.000 0.332 5 V C 1.589 177.688 176.094 0.009 0.000 1.434 5 V CA 0.298 62.577 62.300 -0.034 0.000 1.121 5 V CB 0.040 31.808 31.823 -0.091 0.000 1.062 5 V HN 0.672 nan 8.190 nan 0.000 0.489 6 S N -0.067 115.650 115.700 0.028 0.000 2.402 6 S HA -0.279 4.189 4.470 -0.002 0.000 0.229 6 S C 1.779 176.408 174.600 0.049 0.000 1.021 6 S CA 1.579 59.804 58.200 0.042 0.000 0.974 6 S CB -0.191 63.031 63.200 0.038 0.000 0.800 6 S HN 0.665 nan 8.310 nan 0.000 0.484 7 Q N 1.551 121.372 119.800 0.034 0.000 2.046 7 Q HA -0.040 4.299 4.340 -0.002 0.000 0.200 7 Q C 2.320 178.375 176.000 0.091 0.000 0.975 7 Q CA 1.344 57.177 55.803 0.050 0.000 0.836 7 Q CB -0.524 28.224 28.738 0.017 0.000 0.896 7 Q HN 0.657 nan 8.270 nan 0.000 0.428 8 A N 0.727 123.575 122.820 0.046 0.000 1.933 8 A HA -0.143 4.176 4.320 -0.002 0.000 0.218 8 A C 2.043 179.760 177.584 0.223 0.000 1.175 8 A CA 1.153 53.240 52.037 0.084 0.000 0.628 8 A CB -0.616 18.354 19.000 -0.049 0.000 0.814 8 A HN 0.439 nan 8.150 nan 0.000 0.444 9 L N -0.898 120.406 121.223 0.136 0.000 2.027 9 L HA -0.145 4.194 4.340 -0.002 0.000 0.206 9 L C 3.114 180.058 176.870 0.123 0.000 1.074 9 L CA 0.989 55.909 54.840 0.132 0.000 0.745 9 L CB -0.613 41.503 42.059 0.095 0.000 0.898 9 L HN 0.410 nan 8.230 nan 0.000 0.433 10 A N -0.250 122.637 122.820 0.113 0.000 1.883 10 A HA -0.297 4.022 4.320 -0.002 0.000 0.217 10 A C 2.023 179.684 177.584 0.129 0.000 1.186 10 A CA 1.864 53.956 52.037 0.091 0.000 0.624 10 A CB -1.218 17.828 19.000 0.078 0.000 0.822 10 A HN 0.649 nan 8.150 nan 0.000 0.444 11 W N 0.430 121.748 121.300 0.030 0.000 2.318 11 W HA -0.221 4.438 4.660 -0.002 0.000 0.313 11 W C 1.732 178.341 176.519 0.151 0.000 1.221 11 W CA 2.076 59.477 57.345 0.093 0.000 1.266 11 W CB -0.487 28.992 29.460 0.031 0.000 1.150 11 W HN 0.296 nan 8.180 nan 0.000 0.496 12 L N 1.436 122.723 121.223 0.108 0.000 2.046 12 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 12 L C 2.225 178.968 176.870 -0.210 0.000 1.077 12 L CA 2.439 57.165 54.840 -0.190 0.000 0.747 12 L CB -1.037 41.098 42.059 0.127 0.000 0.896 12 L HN 0.122 nan 8.230 nan 0.000 0.432 13 E N -0.696 119.443 120.200 -0.102 0.000 2.204 13 E HA -0.265 4.084 4.350 -0.002 0.000 0.195 13 E C 1.981 178.467 176.600 -0.190 0.000 0.990 13 E CA 1.073 57.409 56.400 -0.108 0.000 0.821 13 E CB -0.088 29.582 29.700 -0.050 0.000 0.750 13 E HN 0.453 nan 8.360 nan 0.000 0.477 14 K N 0.224 120.454 120.400 -0.283 0.000 2.305 14 K HA -0.054 4.264 4.320 -0.002 0.000 0.199 14 K C 0.144 176.304 176.600 -0.733 0.000 1.047 14 K CA 0.803 56.811 56.287 -0.466 0.000 0.976 14 K CB 0.243 32.446 32.500 -0.495 0.000 0.765 14 K HN 0.137 nan 8.250 nan 0.000 0.474 15 H N -0.290 118.484 119.070 -0.492 0.000 2.551 15 H HA 0.167 4.722 4.556 -0.002 0.000 0.238 15 H C -2.059 173.027 175.328 -0.404 0.000 1.345 15 H CA -1.616 54.114 56.048 -0.531 0.000 1.105 15 H CB 1.132 30.326 29.762 -0.947 0.000 1.805 15 H HN 0.174 nan 8.280 nan 0.000 0.553 16 P HA -0.201 nan 4.420 nan 0.000 0.218 16 P C 1.104 178.355 177.300 -0.082 0.000 1.148 16 P CA 1.101 64.127 63.100 -0.123 0.000 0.822 16 P CB 0.587 32.229 31.700 -0.096 0.000 0.784 17 Q N -0.613 119.143 119.800 -0.072 0.000 2.515 17 Q HA 0.091 4.430 4.340 -0.002 0.000 0.212 17 Q C 2.061 178.046 176.000 -0.025 0.000 0.970 17 Q CA 0.725 56.505 55.803 -0.038 0.000 0.941 17 Q CB -0.721 28.000 28.738 -0.029 0.000 0.998 17 Q HN 0.253 nan 8.270 nan 0.000 0.518 18 A N 0.234 123.024 122.820 -0.050 0.000 2.121 18 A HA -0.057 4.262 4.320 -0.002 0.000 0.218 18 A C 1.768 179.416 177.584 0.108 0.000 1.154 18 A CA 0.761 52.797 52.037 -0.002 0.000 0.679 18 A CB -0.166 18.765 19.000 -0.115 0.000 0.795 18 A HN 0.326 nan 8.150 nan 0.000 0.458 19 L N -1.292 119.963 121.223 0.053 0.000 2.693 19 L HA 0.162 4.501 4.340 -0.002 0.000 0.235 19 L C 0.820 177.693 176.870 0.005 0.000 1.127 19 L CA -0.186 54.675 54.840 0.035 0.000 0.914 19 L CB 0.102 42.166 42.059 0.008 0.000 1.193 19 L HN 0.212 nan 8.230 nan 0.000 0.502 20 K N 1.358 121.763 120.400 0.008 0.000 2.383 20 K HA 0.284 4.603 4.320 -0.002 0.000 0.286 20 K C 0.724 177.326 176.600 0.004 0.000 1.051 20 K CA 0.831 57.123 56.287 0.009 0.000 0.974 20 K CB 0.373 32.878 32.500 0.008 0.000 0.968 20 K HN 0.189 nan 8.250 nan 0.000 0.475 21 G N 4.434 113.236 108.800 0.002 0.000 2.167 21 G HA2 -0.199 3.759 3.960 -0.002 0.000 0.194 21 G HA3 -0.199 3.759 3.960 -0.002 0.000 0.194 21 G C 0.029 174.902 174.900 -0.045 0.000 1.027 21 G CA -0.441 44.652 45.100 -0.012 0.000 0.717 21 G HN 0.643 nan 8.290 nan 0.000 0.501 22 I N 0.738 121.277 120.570 -0.052 0.000 2.710 22 I HA 0.111 4.279 4.170 -0.002 0.000 0.286 22 I C 0.618 176.663 176.117 -0.120 0.000 1.181 22 I CA 0.422 61.641 61.300 -0.135 0.000 1.430 22 I CB 0.611 38.584 38.000 -0.045 0.000 1.367 22 I HN 0.141 nan 8.210 nan 0.000 0.577 23 Q N 6.925 126.594 119.800 -0.219 0.000 2.306 23 Q HA 0.662 5.001 4.340 -0.002 0.000 0.265 23 Q C -0.895 174.981 176.000 -0.207 0.000 1.022 23 Q CA -0.710 54.990 55.803 -0.172 0.000 0.853 23 Q CB 2.597 31.230 28.738 -0.175 0.000 1.327 23 Q HN 0.582 nan 8.270 nan 0.000 0.449 24 R N -0.503 119.913 120.500 -0.139 0.000 2.739 24 R HA 0.855 5.193 4.340 -0.002 0.000 0.271 24 R C -0.596 175.624 176.300 -0.133 0.000 1.010 24 R CA -0.964 55.052 56.100 -0.139 0.000 0.897 24 R CB 2.091 32.425 30.300 0.056 0.000 1.236 24 R HN 0.732 nan 8.270 nan 0.000 0.466 25 G N 1.173 109.885 108.800 -0.148 0.000 2.696 25 G HA2 0.643 4.601 3.960 -0.002 0.000 0.295 25 G HA3 0.643 4.601 3.960 -0.002 0.000 0.295 25 G C -1.611 173.318 174.900 0.048 0.000 1.398 25 G CA -0.645 44.417 45.100 -0.064 0.000 0.920 25 G HN 0.263 nan 8.290 nan 0.000 0.492 26 L N 0.584 121.879 121.223 0.120 0.000 2.365 26 L HA 0.549 4.887 4.340 -0.002 0.000 0.273 26 L C -0.394 176.596 176.870 0.200 0.000 1.000 26 L CA -0.740 54.220 54.840 0.200 0.000 0.819 26 L CB 2.480 44.667 42.059 0.214 0.000 1.284 26 L HN 0.529 nan 8.230 nan 0.000 0.418 27 E N 3.527 123.852 120.200 0.208 0.000 2.176 27 E HA 0.487 4.836 4.350 -0.002 0.000 0.267 27 E C -1.011 175.671 176.600 0.135 0.000 0.893 27 E CA -0.891 55.614 56.400 0.174 0.000 0.761 27 E CB 2.629 32.409 29.700 0.133 0.000 1.133 27 E HN 0.201 nan 8.360 nan 0.000 0.409 28 R N 3.030 123.651 120.500 0.201 0.000 2.513 28 R HA 0.268 4.607 4.340 -0.002 0.000 0.301 28 R C -1.117 175.284 176.300 0.167 0.000 0.968 28 R CA -0.382 55.841 56.100 0.205 0.000 0.872 28 R CB 1.299 31.806 30.300 0.345 0.000 1.177 28 R HN 0.668 nan 8.270 nan 0.000 0.444 29 E N 1.105 121.348 120.200 0.070 0.000 2.222 29 E HA 0.378 4.726 4.350 -0.002 0.000 0.272 29 E C -0.789 175.872 176.600 0.101 0.000 0.982 29 E CA -0.682 55.738 56.400 0.034 0.000 0.842 29 E CB 2.179 31.871 29.700 -0.014 0.000 1.144 29 E HN 0.456 nan 8.360 nan 0.000 0.397 30 T N 1.601 116.206 114.554 0.084 0.000 3.295 30 T HA 0.261 4.610 4.350 -0.002 0.000 0.331 30 T C -1.195 173.589 174.700 0.140 0.000 1.142 30 T CA -0.686 61.511 62.100 0.162 0.000 1.078 30 T CB 0.461 69.471 68.868 0.236 0.000 1.150 30 T HN 0.337 nan 8.240 nan 0.000 0.465 31 L N 4.728 126.066 121.223 0.192 0.000 2.455 31 L HA 0.383 4.721 4.340 -0.002 0.000 0.272 31 L C 1.188 178.155 176.870 0.161 0.000 1.174 31 L CA -0.254 54.675 54.840 0.148 0.000 0.869 31 L CB 0.328 42.452 42.059 0.109 0.000 1.130 31 L HN 0.507 nan 8.230 nan 0.000 0.474 32 R N 3.121 123.681 120.500 0.100 0.000 2.351 32 R HA 0.297 4.635 4.340 -0.002 0.000 0.318 32 R C -0.565 175.783 176.300 0.080 0.000 1.055 32 R CA -0.193 55.960 56.100 0.089 0.000 0.968 32 R CB 0.569 30.898 30.300 0.049 0.000 0.974 32 R HN 0.508 nan 8.270 nan 0.000 0.439 33 V N 0.163 120.143 119.914 0.111 0.000 2.962 33 V HA 0.444 4.563 4.120 -0.002 0.000 0.313 33 V C -0.214 175.925 176.094 0.076 0.000 1.099 33 V CA -1.371 60.983 62.300 0.091 0.000 0.971 33 V CB 2.172 34.088 31.823 0.155 0.000 1.028 33 V HN 0.676 nan 8.190 nan 0.000 0.430 34 N N 1.330 120.050 118.700 0.033 0.000 2.381 34 N HA 0.561 5.299 4.740 -0.002 0.000 0.254 34 N C 1.361 176.889 175.510 0.031 0.000 1.264 34 N CA -0.074 52.985 53.050 0.015 0.000 0.942 34 N CB 1.065 39.539 38.487 -0.022 0.000 1.190 34 N HN 0.991 nan 8.380 nan 0.000 0.495 35 A N 0.551 123.380 122.820 0.015 0.000 2.024 35 A HA -0.201 4.118 4.320 -0.002 0.000 0.220 35 A C 1.235 178.814 177.584 -0.008 0.000 1.164 35 A CA 1.780 53.829 52.037 0.019 0.000 0.643 35 A CB -0.601 18.400 19.000 0.002 0.000 0.806 35 A HN 0.864 nan 8.150 nan 0.000 0.451 36 D N -2.495 117.862 120.400 -0.071 0.000 2.349 36 D HA 0.284 4.923 4.640 -0.002 0.000 0.224 36 D C 1.197 177.284 176.300 -0.355 0.000 1.029 36 D CA 0.934 54.822 54.000 -0.186 0.000 0.879 36 D CB -0.509 40.168 40.800 -0.205 0.000 0.906 36 D HN 0.711 nan 8.370 nan 0.000 0.528 37 G N 0.123 108.849 108.800 -0.124 0.000 2.225 37 G HA2 -0.298 3.661 3.960 -0.002 0.000 0.254 37 G HA3 -0.298 3.661 3.960 -0.002 0.000 0.254 37 G C 0.595 175.427 174.900 -0.113 0.000 0.988 37 G CA 0.505 45.588 45.100 -0.029 0.000 0.625 37 G HN 0.796 nan 8.290 nan 0.000 0.527 38 T N -0.512 113.938 114.554 -0.174 0.000 2.900 38 T HA 0.549 4.898 4.350 -0.002 0.000 0.307 38 T C 0.560 175.225 174.700 -0.059 0.000 1.065 38 T CA -0.090 61.955 62.100 -0.092 0.000 1.105 38 T CB 2.058 70.873 68.868 -0.089 0.000 0.979 38 T HN 1.075 nan 8.240 nan 0.000 0.544 39 L N 2.570 123.763 121.223 -0.049 0.000 2.477 39 L HA 0.467 4.806 4.340 -0.002 0.000 0.272 39 L C 0.681 177.540 176.870 -0.018 0.000 1.157 39 L CA 0.011 54.831 54.840 -0.034 0.000 0.889 39 L CB -0.644 41.398 42.059 -0.028 0.000 1.158 39 L HN 0.973 nan 8.230 nan 0.000 0.473 40 A N 3.301 126.118 122.820 -0.006 0.000 2.520 40 A HA 0.334 4.653 4.320 -0.002 0.000 0.245 40 A C 1.042 178.620 177.584 -0.010 0.000 1.072 40 A CA 0.465 52.499 52.037 -0.006 0.000 0.761 40 A CB -0.238 18.764 19.000 0.004 0.000 1.004 40 A HN 0.928 nan 8.150 nan 0.000 0.499 41 T N -0.403 114.141 114.554 -0.016 0.000 3.134 41 T HA 0.229 4.577 4.350 -0.002 0.000 0.260 41 T C 0.724 175.410 174.700 -0.022 0.000 1.027 41 T CA 0.360 62.449 62.100 -0.020 0.000 0.913 41 T CB -0.933 67.923 68.868 -0.021 0.000 1.046 41 T HN 0.893 nan 8.240 nan 0.000 0.553 42 T N -0.177 114.365 114.554 -0.020 0.000 2.748 42 T HA 0.551 4.900 4.350 -0.002 0.000 0.304 42 T C 0.962 175.650 174.700 -0.021 0.000 1.041 42 T CA -0.288 61.799 62.100 -0.022 0.000 1.033 42 T CB 0.603 69.457 68.868 -0.024 0.000 0.995 42 T HN 0.361 nan 8.240 nan 0.000 0.536 43 G N -0.974 107.814 108.800 -0.020 0.000 2.580 43 G HA2 0.356 4.315 3.960 -0.002 0.000 0.278 43 G HA3 0.356 4.315 3.960 -0.002 0.000 0.278 43 G C -0.442 174.468 174.900 0.017 0.000 1.212 43 G CA -0.766 44.329 45.100 -0.008 0.000 0.939 43 G HN 1.025 nan 8.290 nan 0.000 0.513 44 H N 0.788 119.816 119.070 -0.070 0.000 3.192 44 H HA 0.117 4.672 4.556 -0.002 0.000 0.295 44 H C -1.796 173.512 175.328 -0.035 0.000 0.943 44 H CA -0.813 55.199 56.048 -0.060 0.000 1.416 44 H CB 0.046 29.765 29.762 -0.071 0.000 1.434 44 H HN 0.071 nan 8.280 nan 0.000 0.565 45 P HA -0.105 nan 4.420 nan 0.000 0.261 45 P C 0.569 177.735 177.300 -0.224 0.000 1.165 45 P CA 0.529 63.472 63.100 -0.260 0.000 0.759 45 P CB 0.531 32.071 31.700 -0.265 0.000 0.772 46 E N 2.767 122.908 120.200 -0.098 0.000 2.097 46 E HA -0.248 4.100 4.350 -0.002 0.000 0.196 46 E C 1.872 178.480 176.600 0.012 0.000 1.000 46 E CA 1.596 57.979 56.400 -0.029 0.000 0.804 46 E CB -0.271 29.421 29.700 -0.013 0.000 0.740 46 E HN 0.540 nan 8.360 nan 0.000 0.454 47 A N 0.666 123.488 122.820 0.002 0.000 2.125 47 A HA -0.106 4.213 4.320 -0.002 0.000 0.219 47 A C 1.892 179.610 177.584 0.225 0.000 1.156 47 A CA 0.825 52.929 52.037 0.111 0.000 0.671 47 A CB -0.359 18.664 19.000 0.039 0.000 0.794 47 A HN 0.157 nan 8.150 nan 0.000 0.459 48 L N -1.433 119.845 121.223 0.092 0.000 2.592 48 L HA 0.286 4.625 4.340 -0.002 0.000 0.227 48 L C 1.625 178.647 176.870 0.253 0.000 1.127 48 L CA 0.130 55.049 54.840 0.130 0.000 0.884 48 L CB -0.965 41.022 42.059 -0.120 0.000 1.065 48 L HN 0.537 nan 8.230 nan 0.000 0.457 49 G N 0.729 109.663 108.800 0.224 0.000 2.574 49 G HA2 -0.362 3.596 3.960 -0.002 0.000 0.286 49 G HA3 -0.362 3.596 3.960 -0.002 0.000 0.286 49 G C 0.112 175.173 174.900 0.269 0.000 1.212 49 G CA 0.139 45.383 45.100 0.240 0.000 0.979 49 G HN 0.321 nan 8.290 nan 0.000 0.557 50 S N 0.961 116.802 115.700 0.236 0.000 2.416 50 S HA 0.582 5.051 4.470 -0.002 0.000 0.287 50 S C 1.538 176.251 174.600 0.187 0.000 1.139 50 S CA 0.544 58.854 58.200 0.182 0.000 1.058 50 S CB 0.829 64.098 63.200 0.115 0.000 0.967 50 S HN 1.981 nan 8.310 nan 0.000 0.495 51 A N 5.283 128.149 122.820 0.078 0.000 1.978 51 A HA -0.052 4.266 4.320 -0.002 0.000 0.220 51 A C 1.914 179.596 177.584 0.164 0.000 1.170 51 A CA 1.434 53.447 52.037 -0.040 0.000 0.636 51 A CB -0.651 18.121 19.000 -0.380 0.000 0.810 51 A HN 0.890 nan 8.150 nan 0.000 0.448 52 L N 0.157 121.517 121.223 0.228 0.000 2.083 52 L HA -0.101 4.238 4.340 -0.002 0.000 0.209 52 L C 2.283 179.166 176.870 0.022 0.000 1.083 52 L CA 2.881 57.788 54.840 0.111 0.000 0.752 52 L CB -0.362 41.768 42.059 0.118 0.000 0.899 52 L HN 0.546 nan 8.230 nan 0.000 0.433 53 T N -5.787 108.801 114.554 0.057 0.000 2.958 53 T HA 0.096 4.444 4.350 -0.002 0.000 0.256 53 T C 0.984 175.691 174.700 0.013 0.000 0.983 53 T CA -0.380 61.729 62.100 0.015 0.000 0.924 53 T CB -0.668 68.194 68.868 -0.009 0.000 1.136 53 T HN 0.285 nan 8.240 nan 0.000 0.506 54 H N 2.090 121.142 119.070 -0.029 0.000 3.073 54 H HA 0.131 4.686 4.556 -0.002 0.000 0.340 54 H C 0.954 176.207 175.328 -0.126 0.000 1.054 54 H CA 0.981 56.983 56.048 -0.076 0.000 1.372 54 H CB 0.950 30.727 29.762 0.025 0.000 1.314 54 H HN 0.258 nan 8.280 nan 0.000 0.603 55 K N 2.972 123.171 120.400 -0.336 0.000 2.167 55 K HA -0.063 4.255 4.320 -0.002 0.000 0.203 55 K C 1.165 177.787 176.600 0.037 0.000 1.052 55 K CA 1.082 57.169 56.287 -0.334 0.000 0.956 55 K CB 0.384 32.398 32.500 -0.812 0.000 0.735 55 K HN 0.601 nan 8.250 nan 0.000 0.451 56 W N -0.416 121.212 121.300 0.547 0.000 2.942 56 W HA 0.367 5.025 4.660 -0.002 0.000 0.260 56 W C 0.146 176.886 176.519 0.369 0.000 1.101 56 W CA -0.275 57.338 57.345 0.447 0.000 1.436 56 W CB 0.346 30.114 29.460 0.514 0.000 0.883 56 W HN -0.209 nan 8.180 nan 0.000 0.646 57 I N 0.457 121.267 120.570 0.400 0.000 2.533 57 I HA 0.538 4.706 4.170 -0.002 0.000 0.290 57 I C 0.163 176.291 176.117 0.017 0.000 1.056 57 I CA -0.100 61.273 61.300 0.121 0.000 1.057 57 I CB 2.451 40.476 38.000 0.042 0.000 1.240 57 I HN -0.365 nan 8.210 nan 0.000 0.423 58 T N 2.387 116.937 114.554 -0.007 0.000 2.612 58 T HA 0.633 4.981 4.350 -0.002 0.000 0.296 58 T C -1.034 173.590 174.700 -0.127 0.000 1.148 58 T CA -0.221 61.852 62.100 -0.046 0.000 1.077 58 T CB 1.761 70.658 68.868 0.049 0.000 1.591 58 T HN 0.749 nan 8.240 nan 0.000 0.479 59 T N -0.653 113.848 114.554 -0.087 0.000 2.916 59 T HA 0.669 5.017 4.350 -0.002 0.000 0.292 59 T C -0.009 174.733 174.700 0.070 0.000 1.055 59 T CA -0.551 61.512 62.100 -0.063 0.000 1.009 59 T CB 2.009 70.778 68.868 -0.164 0.000 1.118 59 T HN 0.605 nan 8.240 nan 0.000 0.497 60 D N -0.426 120.023 120.400 0.081 0.000 2.789 60 D HA 0.297 4.936 4.640 -0.002 0.000 0.258 60 D C 1.213 177.645 176.300 0.220 0.000 1.215 60 D CA -0.536 53.562 54.000 0.162 0.000 1.113 60 D CB 0.056 40.941 40.800 0.141 0.000 0.953 60 D HN 0.464 nan 8.370 nan 0.000 0.252 61 F N 0.621 120.627 119.950 0.093 0.000 2.206 61 F HA 0.354 4.880 4.527 -0.002 0.000 0.298 61 F C 0.318 176.137 175.800 0.032 0.000 1.090 61 F CA 0.813 58.862 58.000 0.082 0.000 1.323 61 F CB -0.026 39.032 39.000 0.097 0.000 1.028 61 F HN 0.112 nan 8.300 nan 0.000 0.492 62 A N 0.062 122.919 122.820 0.061 0.000 2.337 62 A HA 0.410 4.729 4.320 -0.002 0.000 0.331 62 A C 0.861 178.386 177.584 -0.098 0.000 1.137 62 A CA -0.228 51.769 52.037 -0.066 0.000 0.807 62 A CB 1.035 20.143 19.000 0.180 0.000 1.250 62 A HN 0.256 nan 8.150 nan 0.000 0.468 63 E N 1.311 121.422 120.200 -0.147 0.000 2.204 63 E HA -0.091 4.258 4.350 -0.002 0.000 0.195 63 E C 1.518 178.092 176.600 -0.042 0.000 0.990 63 E CA 2.057 58.374 56.400 -0.139 0.000 0.821 63 E CB -0.084 29.532 29.700 -0.140 0.000 0.750 63 E HN 0.714 nan 8.360 nan 0.000 0.477 64 A N -0.182 122.631 122.820 -0.011 0.000 2.251 64 A HA 0.165 4.484 4.320 -0.002 0.000 0.209 64 A C 0.538 178.147 177.584 0.042 0.000 1.187 64 A CA -0.211 51.840 52.037 0.023 0.000 0.823 64 A CB -0.067 18.946 19.000 0.022 0.000 0.846 64 A HN 0.224 nan 8.150 nan 0.000 0.486 65 L N 1.261 122.510 121.223 0.044 0.000 2.288 65 L HA 0.458 4.796 4.340 -0.002 0.000 0.283 65 L C -0.317 176.553 176.870 0.000 0.000 1.072 65 L CA -0.513 54.359 54.840 0.054 0.000 0.862 65 L CB -0.023 42.102 42.059 0.109 0.000 1.245 65 L HN 0.242 nan 8.230 nan 0.000 0.432 66 L N 3.646 124.841 121.223 -0.046 0.000 2.473 66 L HA 0.294 4.633 4.340 -0.002 0.000 0.268 66 L C 0.359 177.077 176.870 -0.254 0.000 1.215 66 L CA 0.235 54.962 54.840 -0.188 0.000 0.823 66 L CB 0.551 42.398 42.059 -0.353 0.000 1.099 66 L HN 0.614 nan 8.230 nan 0.000 0.483 67 E N 1.229 121.219 120.200 -0.350 0.000 2.278 67 E HA 0.412 4.760 4.350 -0.002 0.000 0.272 67 E C -1.717 174.695 176.600 -0.313 0.000 0.890 67 E CA -0.628 55.623 56.400 -0.248 0.000 0.770 67 E CB 1.195 30.861 29.700 -0.056 0.000 1.212 67 E HN 0.234 nan 8.360 nan 0.000 0.415 68 F N 4.143 124.157 119.950 0.106 0.000 2.421 68 F HA 0.548 5.074 4.527 -0.002 0.000 0.337 68 F C 0.077 175.995 175.800 0.197 0.000 1.105 68 F CA -0.642 57.456 58.000 0.163 0.000 1.049 68 F CB 1.183 40.268 39.000 0.141 0.000 1.139 68 F HN 0.310 nan 8.300 nan 0.000 0.479 69 I N 1.961 122.793 120.570 0.436 0.000 2.512 69 I HA 0.284 4.453 4.170 -0.002 0.000 0.287 69 I C -0.448 175.856 176.117 0.311 0.000 1.069 69 I CA -0.788 60.702 61.300 0.317 0.000 1.056 69 I CB 2.296 40.451 38.000 0.258 0.000 1.229 69 I HN 0.612 nan 8.210 nan 0.000 0.429 70 T N 2.942 117.601 114.554 0.176 0.000 2.889 70 T HA 0.529 4.878 4.350 -0.002 0.000 0.291 70 T C -2.547 172.083 174.700 -0.116 0.000 0.995 70 T CA -1.888 60.189 62.100 -0.038 0.000 1.092 70 T CB 1.024 69.855 68.868 -0.062 0.000 0.954 70 T HN 0.169 nan 8.240 nan 0.000 0.506 71 P HA 0.185 nan 4.420 nan 0.000 0.271 71 P C 0.291 177.478 177.300 -0.189 0.000 1.216 71 P CA -0.664 62.326 63.100 -0.183 0.000 0.771 71 P CB 0.402 31.961 31.700 -0.235 0.000 0.864 72 V N 3.188 123.013 119.914 -0.149 0.000 2.752 72 V HA -0.024 4.094 4.120 -0.002 0.000 0.306 72 V C 0.081 176.097 176.094 -0.131 0.000 1.099 72 V CA 1.253 63.455 62.300 -0.163 0.000 1.240 72 V CB -0.050 31.653 31.823 -0.200 0.000 0.887 72 V HN 0.596 nan 8.190 nan 0.000 0.499 73 D N 3.169 123.507 120.400 -0.105 0.000 2.736 73 D HA 0.492 5.130 4.640 -0.002 0.000 0.223 73 D C 0.355 176.627 176.300 -0.045 0.000 1.231 73 D CA 0.214 54.175 54.000 -0.066 0.000 0.818 73 D CB 2.232 43.029 40.800 -0.006 0.000 1.587 73 D HN 0.580 nan 8.370 nan 0.000 0.463 74 G N 0.990 109.764 108.800 -0.042 0.000 3.020 74 G HA2 0.064 4.023 3.960 -0.002 0.000 0.217 74 G HA3 0.064 4.023 3.960 -0.002 0.000 0.217 74 G C 0.208 175.121 174.900 0.022 0.000 1.144 74 G CA -0.061 45.029 45.100 -0.017 0.000 0.760 74 G HN 0.408 nan 8.290 nan 0.000 0.548 75 D N 0.499 120.918 120.400 0.031 0.000 2.344 75 D HA 0.285 4.923 4.640 -0.002 0.000 0.239 75 D C 1.156 177.524 176.300 0.113 0.000 1.064 75 D CA -0.572 53.469 54.000 0.069 0.000 0.829 75 D CB 1.690 42.520 40.800 0.049 0.000 1.129 75 D HN 0.000 nan 8.370 nan 0.000 0.506 76 I N 2.976 123.609 120.570 0.106 0.000 2.127 76 I HA -0.251 3.917 4.170 -0.002 0.000 0.241 76 I C 2.424 178.591 176.117 0.084 0.000 1.075 76 I CA 1.068 62.428 61.300 0.101 0.000 1.334 76 I CB -0.174 37.868 38.000 0.070 0.000 1.040 76 I HN 0.598 nan 8.210 nan 0.000 0.405 77 E N 0.627 120.870 120.200 0.071 0.000 2.058 77 E HA -0.335 4.014 4.350 -0.002 0.000 0.194 77 E C 2.357 179.004 176.600 0.078 0.000 0.997 77 E CA 1.577 58.011 56.400 0.056 0.000 0.801 77 E CB -0.277 29.450 29.700 0.046 0.000 0.746 77 E HN 0.508 nan 8.360 nan 0.000 0.450 78 H N 0.609 119.697 119.070 0.030 0.000 2.290 78 H HA -0.186 4.369 4.556 -0.002 0.000 0.298 78 H C 2.242 177.610 175.328 0.068 0.000 1.087 78 H CA 2.038 58.113 56.048 0.044 0.000 1.291 78 H CB -0.275 29.506 29.762 0.031 0.000 1.369 78 H HN 0.343 nan 8.280 nan 0.000 0.492 79 M N 0.268 119.957 119.600 0.148 0.000 2.149 79 M HA -0.169 4.310 4.480 -0.002 0.000 0.261 79 M C 2.036 178.377 176.300 0.070 0.000 1.064 79 M CA 1.504 56.859 55.300 0.093 0.000 1.102 79 M CB -0.017 32.645 32.600 0.103 0.000 1.369 79 M HN 0.242 nan 8.290 nan 0.000 0.408 80 L N -0.894 120.355 121.223 0.045 0.000 2.131 80 L HA -0.113 4.226 4.340 -0.002 0.000 0.206 80 L C 2.284 179.138 176.870 -0.026 0.000 1.087 80 L CA 1.197 56.043 54.840 0.010 0.000 0.767 80 L CB -0.840 41.214 42.059 -0.007 0.000 0.917 80 L HN 0.296 nan 8.230 nan 0.000 0.441 81 T N -0.192 114.336 114.554 -0.044 0.000 2.746 81 T HA -0.203 4.145 4.350 -0.002 0.000 0.267 81 T C 1.618 176.257 174.700 -0.102 0.000 1.039 81 T CA 1.351 63.399 62.100 -0.087 0.000 1.142 81 T CB -0.334 68.469 68.868 -0.109 0.000 0.866 81 T HN 0.165 nan 8.240 nan 0.000 0.444 82 F N 1.680 121.472 119.950 -0.263 0.000 2.102 82 F HA -0.076 4.450 4.527 -0.002 0.000 0.298 82 F C 2.319 178.024 175.800 -0.159 0.000 1.105 82 F CA 1.348 59.184 58.000 -0.273 0.000 1.239 82 F CB -0.439 38.368 39.000 -0.322 0.000 0.991 82 F HN 0.023 nan 8.300 nan 0.000 0.474 83 M N 0.482 120.208 119.600 0.210 0.000 2.149 83 M HA -0.191 4.288 4.480 -0.002 0.000 0.261 83 M C 2.261 178.569 176.300 0.013 0.000 1.064 83 M CA 1.712 57.102 55.300 0.151 0.000 1.102 83 M CB -0.605 32.067 32.600 0.120 0.000 1.369 83 M HN 0.145 nan 8.290 nan 0.000 0.408 84 R N -0.457 119.994 120.500 -0.080 0.000 2.073 84 R HA -0.130 4.209 4.340 -0.002 0.000 0.229 84 R C 1.608 177.850 176.300 -0.095 0.000 1.120 84 R CA 1.708 57.724 56.100 -0.140 0.000 0.967 84 R CB -0.308 29.904 30.300 -0.147 0.000 0.862 84 R HN 0.367 nan 8.270 nan 0.000 0.436 85 D N 0.690 121.018 120.400 -0.121 0.000 2.133 85 D HA -0.189 4.450 4.640 -0.002 0.000 0.195 85 D C 1.897 178.206 176.300 0.014 0.000 0.997 85 D CA 1.188 55.134 54.000 -0.091 0.000 0.840 85 D CB -0.139 40.527 40.800 -0.224 0.000 0.947 85 D HN 0.262 nan 8.370 nan 0.000 0.452 86 L N -0.368 120.846 121.223 -0.016 0.000 2.046 86 L HA -0.185 4.154 4.340 -0.002 0.000 0.208 86 L C 2.347 179.083 176.870 -0.223 0.000 1.077 86 L CA 1.149 56.031 54.840 0.069 0.000 0.747 86 L CB -0.476 41.613 42.059 0.050 0.000 0.896 86 L HN 0.114 nan 8.230 nan 0.000 0.432 87 H N -0.362 118.396 119.070 -0.519 0.000 2.357 87 H HA -0.081 4.474 4.556 -0.002 0.000 0.301 87 H C 2.466 177.681 175.328 -0.189 0.000 1.082 87 H CA 1.396 57.158 56.048 -0.476 0.000 1.342 87 H CB 0.027 29.538 29.762 -0.419 0.000 1.389 87 H HN 0.107 nan 8.280 nan 0.000 0.511 88 R N -0.622 119.865 120.500 -0.022 0.000 2.097 88 R HA -0.223 4.116 4.340 -0.002 0.000 0.236 88 R C 2.062 178.317 176.300 -0.074 0.000 1.135 88 R CA 1.944 58.023 56.100 -0.035 0.000 0.934 88 R CB -0.620 29.662 30.300 -0.029 0.000 0.846 88 R HN 0.349 nan 8.270 nan 0.000 0.431 89 Y N 1.386 121.515 120.300 -0.284 0.000 2.145 89 Y HA -0.227 4.322 4.550 -0.002 0.000 0.286 89 Y C 2.286 178.005 175.900 -0.302 0.000 1.145 89 Y CA 1.969 59.788 58.100 -0.467 0.000 1.148 89 Y CB -0.400 37.325 38.460 -1.226 0.000 0.981 89 Y HN 0.008 nan 8.280 nan 0.000 0.507 90 T N 0.380 114.853 114.554 -0.135 0.000 2.788 90 T HA -0.181 4.168 4.350 -0.002 0.000 0.268 90 T C 2.073 176.709 174.700 -0.106 0.000 1.044 90 T CA 1.261 63.316 62.100 -0.076 0.000 1.139 90 T CB -0.680 68.301 68.868 0.189 0.000 0.867 90 T HN 0.475 nan 8.240 nan 0.000 0.454 91 A N 2.225 124.998 122.820 -0.078 0.000 1.969 91 A HA -0.086 4.233 4.320 -0.002 0.000 0.218 91 A C 2.142 179.670 177.584 -0.094 0.000 1.169 91 A CA 1.158 53.170 52.037 -0.041 0.000 0.635 91 A CB -0.387 18.614 19.000 0.002 0.000 0.810 91 A HN 0.654 nan 8.150 nan 0.000 0.445 92 R N -1.516 118.879 120.500 -0.175 0.000 2.466 92 R HA 0.251 4.590 4.340 -0.002 0.000 0.279 92 R C -0.521 175.627 176.300 -0.254 0.000 0.976 92 R CA 0.010 56.000 56.100 -0.183 0.000 1.081 92 R CB -0.078 30.121 30.300 -0.169 0.000 1.215 92 R HN 0.219 nan 8.270 nan 0.000 0.546 93 N N 1.472 120.001 118.700 -0.285 0.000 2.536 93 N HA 0.145 4.883 4.740 -0.002 0.000 0.286 93 N C -0.245 175.154 175.510 -0.186 0.000 1.577 93 N CA -0.045 52.830 53.050 -0.292 0.000 0.883 93 N CB 1.346 39.533 38.487 -0.500 0.000 1.390 93 N HN 0.405 nan 8.380 nan 0.000 0.491 94 M N -2.484 117.040 119.600 -0.126 0.000 3.470 94 M HA 0.392 4.871 4.480 -0.002 0.000 0.454 94 M C 0.629 176.896 176.300 -0.057 0.000 1.631 94 M CA -0.578 54.671 55.300 -0.084 0.000 0.732 94 M CB 0.669 33.233 32.600 -0.061 0.000 1.454 94 M HN -0.026 nan 8.290 nan 0.000 0.521 95 G N 2.194 110.958 108.800 -0.060 0.000 2.611 95 G HA2 -0.373 3.586 3.960 -0.002 0.000 0.301 95 G HA3 -0.373 3.586 3.960 -0.002 0.000 0.301 95 G C 0.021 174.903 174.900 -0.031 0.000 1.233 95 G CA 1.010 46.085 45.100 -0.043 0.000 0.993 95 G HN 0.657 nan 8.290 nan 0.000 0.553 96 D N 1.693 122.081 120.400 -0.020 0.000 2.325 96 D HA 0.267 4.906 4.640 -0.002 0.000 0.225 96 D C 0.937 177.240 176.300 0.005 0.000 1.096 96 D CA 0.383 54.377 54.000 -0.009 0.000 0.844 96 D CB -0.039 40.755 40.800 -0.011 0.000 0.925 96 D HN 0.526 nan 8.370 nan 0.000 0.513 97 E N 0.726 120.929 120.200 0.005 0.000 2.373 97 E HA 0.250 4.599 4.350 -0.002 0.000 0.263 97 E C 0.560 177.190 176.600 0.051 0.000 1.073 97 E CA -0.320 56.096 56.400 0.027 0.000 0.894 97 E CB 0.870 30.581 29.700 0.018 0.000 1.008 97 E HN 0.124 nan 8.360 nan 0.000 0.420 98 R N 1.791 122.345 120.500 0.090 0.000 2.885 98 R HA 0.470 4.809 4.340 -0.002 0.000 0.260 98 R C -1.016 175.392 176.300 0.180 0.000 1.107 98 R CA -0.988 55.187 56.100 0.124 0.000 0.978 98 R CB 0.464 30.838 30.300 0.123 0.000 1.227 98 R HN 0.434 nan 8.270 nan 0.000 0.473 99 M N 1.157 120.884 119.600 0.211 0.000 2.129 99 M HA 0.307 4.785 4.480 -0.002 0.000 0.348 99 M C -0.311 176.176 176.300 0.311 0.000 1.116 99 M CA -0.466 54.988 55.300 0.257 0.000 1.022 99 M CB 1.469 34.228 32.600 0.265 0.000 1.599 99 M HN 0.389 nan 8.290 nan 0.000 0.449 100 W N 6.825 128.197 121.300 0.120 0.000 2.264 100 W HA 0.100 4.759 4.660 -0.002 0.000 0.331 100 W C -2.043 174.538 176.519 0.104 0.000 1.364 100 W CA -0.915 56.496 57.345 0.110 0.000 1.253 100 W CB 0.977 30.495 29.460 0.097 0.000 1.215 100 W HN 0.463 nan 8.180 nan 0.000 0.561 101 P HA 0.147 nan 4.420 nan 0.000 0.268 101 P C -0.368 176.689 177.300 -0.405 0.000 1.329 101 P CA 0.542 63.473 63.100 -0.282 0.000 0.899 101 P CB 0.484 32.041 31.700 -0.239 0.000 1.378 102 L N -1.332 119.619 121.223 -0.453 0.000 2.333 102 L HA 0.399 4.738 4.340 -0.002 0.000 0.263 102 L C 1.593 178.491 176.870 0.045 0.000 1.014 102 L CA -0.681 54.010 54.840 -0.248 0.000 0.820 102 L CB 1.558 43.461 42.059 -0.260 0.000 1.352 102 L HN -0.368 nan 8.230 nan 0.000 0.421 103 S N 0.756 116.480 115.700 0.039 0.000 2.356 103 S HA 0.071 4.540 4.470 -0.002 0.000 0.223 103 S C 0.749 175.428 174.600 0.132 0.000 1.032 103 S CA 1.119 59.371 58.200 0.087 0.000 1.005 103 S CB -0.045 63.187 63.200 0.053 0.000 0.867 103 S HN 0.374 nan 8.310 nan 0.000 0.449 104 M N 2.614 122.278 119.600 0.107 0.000 2.180 104 M HA 0.337 4.816 4.480 -0.002 0.000 0.358 104 M C -2.521 173.944 176.300 0.276 0.000 1.233 104 M CA -2.879 52.452 55.300 0.051 0.000 1.114 104 M CB -0.049 32.496 32.600 -0.092 0.000 1.594 104 M HN 0.004 nan 8.290 nan 0.000 0.467 105 P HA 0.230 nan 4.420 nan 0.000 0.276 105 P C 0.077 177.358 177.300 -0.031 0.000 1.252 105 P CA -0.206 62.859 63.100 -0.058 0.000 0.802 105 P CB 1.373 33.038 31.700 -0.058 0.000 1.035 106 S N 0.073 115.588 115.700 -0.308 0.000 2.807 106 S HA 0.122 4.590 4.470 -0.002 0.000 0.247 106 S C 0.622 174.985 174.600 -0.394 0.000 1.078 106 S CA -0.008 58.017 58.200 -0.290 0.000 0.867 106 S CB -0.438 62.556 63.200 -0.343 0.000 0.797 106 S HN 0.371 nan 8.310 nan 0.000 0.515 107 Y N 1.781 121.955 120.300 -0.211 0.000 2.801 107 Y HA 0.531 5.080 4.550 -0.002 0.000 0.340 107 Y C -0.294 175.538 175.900 -0.113 0.000 1.088 107 Y CA -0.247 57.777 58.100 -0.126 0.000 1.444 107 Y CB -0.237 38.146 38.460 -0.128 0.000 1.251 107 Y HN 0.142 nan 8.280 nan 0.000 0.522 108 I N 1.041 121.600 120.570 -0.018 0.000 2.355 108 I HA 0.495 4.664 4.170 -0.002 0.000 0.288 108 I C 0.108 176.199 176.117 -0.044 0.000 0.999 108 I CA -0.928 60.355 61.300 -0.027 0.000 1.163 108 I CB 1.200 39.174 38.000 -0.043 0.000 1.316 108 I HN 0.156 nan 8.210 nan 0.000 0.454 109 A N 6.064 128.861 122.820 -0.037 0.000 2.371 109 A HA 0.232 4.551 4.320 -0.002 0.000 0.257 109 A C 0.250 177.775 177.584 -0.098 0.000 1.089 109 A CA -0.331 51.675 52.037 -0.051 0.000 0.794 109 A CB 0.494 19.480 19.000 -0.025 0.000 1.029 109 A HN 0.725 nan 8.150 nan 0.000 0.488 110 E N 0.856 120.984 120.200 -0.120 0.000 2.414 110 E HA 0.254 4.603 4.350 -0.002 0.000 0.263 110 E C 1.206 177.753 176.600 -0.089 0.000 1.000 110 E CA 1.224 57.535 56.400 -0.148 0.000 0.914 110 E CB 0.368 29.978 29.700 -0.151 0.000 0.948 110 E HN 1.524 nan 8.360 nan 0.000 0.444 111 G N 3.787 112.536 108.800 -0.085 0.000 2.175 111 G HA2 -0.381 3.577 3.960 -0.002 0.000 0.265 111 G HA3 -0.381 3.577 3.960 -0.002 0.000 0.265 111 G C 0.412 175.294 174.900 -0.030 0.000 0.979 111 G CA 0.882 45.955 45.100 -0.046 0.000 0.663 111 G HN 0.665 nan 8.290 nan 0.000 0.533 112 Q N 0.410 120.188 119.800 -0.037 0.000 2.304 112 Q HA 0.205 4.543 4.340 -0.002 0.000 0.301 112 Q C -0.140 175.860 176.000 -0.001 0.000 1.063 112 Q CA 0.319 56.110 55.803 -0.019 0.000 0.947 112 Q CB 0.243 28.967 28.738 -0.023 0.000 1.201 112 Q HN 0.220 nan 8.270 nan 0.000 0.389 113 D N 4.193 124.593 120.400 -0.000 0.000 2.498 113 D HA 0.164 4.802 4.640 -0.002 0.000 0.229 113 D C -0.932 175.374 176.300 0.009 0.000 1.188 113 D CA -0.126 53.876 54.000 0.005 0.000 1.028 113 D CB -0.243 40.554 40.800 -0.005 0.000 1.087 113 D HN 0.373 nan 8.370 nan 0.000 0.510 114 I N 2.296 122.888 120.570 0.036 0.000 2.396 114 I HA 0.055 4.224 4.170 -0.002 0.000 0.289 114 I C 1.087 177.204 176.117 -0.000 0.000 1.056 114 I CA -0.301 61.027 61.300 0.047 0.000 1.365 114 I CB 0.863 38.945 38.000 0.136 0.000 1.407 114 I HN 0.225 nan 8.210 nan 0.000 0.509 115 E N 6.750 126.927 120.200 -0.038 0.000 2.498 115 E HA 0.064 4.413 4.350 -0.002 0.000 0.252 115 E C -0.541 175.952 176.600 -0.178 0.000 1.025 115 E CA -0.277 56.067 56.400 -0.093 0.000 0.938 115 E CB 0.471 30.120 29.700 -0.085 0.000 0.947 115 E HN 0.447 nan 8.360 nan 0.000 0.478 116 L N 2.968 124.034 121.223 -0.262 0.000 2.467 116 L HA 0.121 4.460 4.340 -0.002 0.000 0.270 116 L C 0.750 177.393 176.870 -0.378 0.000 1.205 116 L CA -0.378 54.187 54.840 -0.459 0.000 0.828 116 L CB 0.332 42.132 42.059 -0.433 0.000 1.101 116 L HN 0.581 nan 8.230 nan 0.000 0.479 117 A N 2.490 125.051 122.820 -0.430 0.000 2.531 117 A HA 0.173 4.492 4.320 -0.002 0.000 0.236 117 A C -0.171 177.047 177.584 -0.609 0.000 1.062 117 A CA -0.177 51.566 52.037 -0.490 0.000 0.760 117 A CB 0.093 18.809 19.000 -0.473 0.000 0.995 117 A HN 0.639 nan 8.150 nan 0.000 0.501 118 Q N 1.094 120.490 119.800 -0.672 0.000 2.333 118 Q HA 0.395 4.734 4.340 -0.002 0.000 0.265 118 Q C -1.416 174.209 176.000 -0.626 0.000 0.989 118 Q CA -0.048 55.460 55.803 -0.492 0.000 0.842 118 Q CB 1.340 29.913 28.738 -0.276 0.000 1.262 118 Q HN 0.764 nan 8.270 nan 0.000 0.451 119 Y N 0.110 120.350 120.300 -0.100 0.000 2.706 119 Y HA 0.391 4.939 4.550 -0.002 0.000 0.255 119 Y C 1.142 176.989 175.900 -0.087 0.000 1.163 119 Y CA 0.142 58.190 58.100 -0.087 0.000 1.174 119 Y CB 0.790 39.204 38.460 -0.076 0.000 1.200 119 Y HN 0.881 nan 8.280 nan 0.000 0.544 120 G N 0.543 109.342 108.800 -0.003 0.000 2.660 120 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.215 120 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.215 120 G C 0.807 175.665 174.900 -0.070 0.000 1.345 120 G CA 0.016 45.097 45.100 -0.030 0.000 0.877 120 G HN 0.372 nan 8.290 nan 0.000 0.549 121 T N -1.907 112.599 114.554 -0.080 0.000 3.037 121 T HA 0.456 4.804 4.350 -0.002 0.000 0.251 121 T C 1.701 176.312 174.700 -0.148 0.000 1.079 121 T CA 1.305 63.336 62.100 -0.115 0.000 1.067 121 T CB -0.355 68.464 68.868 -0.082 0.000 0.948 121 T HN 2.182 nan 8.240 nan 0.000 0.496 122 S N 1.799 117.419 115.700 -0.132 0.000 2.560 122 S HA 0.071 4.540 4.470 -0.002 0.000 0.276 122 S C 0.938 175.376 174.600 -0.271 0.000 1.350 122 S CA -0.057 58.038 58.200 -0.175 0.000 1.024 122 S CB 0.106 63.219 63.200 -0.144 0.000 0.864 122 S HN 0.483 nan 8.310 nan 0.000 0.536 123 N N 1.122 119.582 118.700 -0.399 0.000 2.104 123 N HA -0.113 4.625 4.740 -0.002 0.000 0.190 123 N C 1.766 176.904 175.510 -0.619 0.000 1.024 123 N CA 1.762 54.422 53.050 -0.651 0.000 0.853 123 N CB -0.476 37.105 38.487 -1.510 0.000 1.008 123 N HN 0.708 nan 8.380 nan 0.000 0.424 124 T N -0.147 114.117 114.554 -0.484 0.000 2.622 124 T HA -0.140 4.208 4.350 -0.002 0.000 0.266 124 T C 2.024 176.699 174.700 -0.041 0.000 1.047 124 T CA 1.476 63.468 62.100 -0.180 0.000 1.159 124 T CB -0.964 67.837 68.868 -0.112 0.000 0.863 124 T HN 0.453 nan 8.240 nan 0.000 0.422 125 G N 1.243 109.991 108.800 -0.087 0.000 2.476 125 G HA2 -0.291 3.667 3.960 -0.002 0.000 0.218 125 G HA3 -0.291 3.667 3.960 -0.002 0.000 0.218 125 G C 1.862 176.759 174.900 -0.004 0.000 1.164 125 G CA 1.632 46.729 45.100 -0.005 0.000 0.768 125 G HN 0.638 nan 8.290 nan 0.000 0.560 126 R N -0.322 120.068 120.500 -0.182 0.000 2.148 126 R HA 0.135 4.473 4.340 -0.002 0.000 0.227 126 R C 2.256 178.490 176.300 -0.111 0.000 1.103 126 R CA 1.542 57.411 56.100 -0.385 0.000 0.983 126 R CB -1.161 28.494 30.300 -1.076 0.000 0.874 126 R HN 0.462 nan 8.270 nan 0.000 0.451 127 F N 1.464 121.412 119.950 -0.004 0.000 2.163 127 F HA 0.062 4.588 4.527 -0.002 0.000 0.297 127 F C 2.105 178.026 175.800 0.200 0.000 1.094 127 F CA 1.445 59.604 58.000 0.264 0.000 1.290 127 F CB 0.015 39.224 39.000 0.349 0.000 1.017 127 F HN 0.154 nan 8.300 nan 0.000 0.483 128 K N -0.566 119.886 120.400 0.088 0.000 2.063 128 K HA -0.159 4.160 4.320 -0.002 0.000 0.208 128 K C 1.932 178.613 176.600 0.135 0.000 1.048 128 K CA 2.082 58.384 56.287 0.025 0.000 0.928 128 K CB -0.622 31.765 32.500 -0.188 0.000 0.713 128 K HN 0.218 nan 8.250 nan 0.000 0.442 129 T N 1.611 116.255 114.554 0.151 0.000 2.867 129 T HA -0.098 4.251 4.350 -0.002 0.000 0.268 129 T C 1.664 176.362 174.700 -0.003 0.000 1.057 129 T CA 0.835 62.969 62.100 0.057 0.000 1.136 129 T CB -0.096 68.766 68.868 -0.010 0.000 0.874 129 T HN 0.087 nan 8.240 nan 0.000 0.466 130 L N 0.420 121.660 121.223 0.029 0.000 2.109 130 L HA 0.062 4.401 4.340 -0.002 0.000 0.207 130 L C 2.097 178.986 176.870 0.031 0.000 1.086 130 L CA 1.499 56.373 54.840 0.057 0.000 0.760 130 L CB -0.932 41.246 42.059 0.199 0.000 0.910 130 L HN 0.223 nan 8.230 nan 0.000 0.437 131 Y N 1.052 121.244 120.300 -0.180 0.000 2.069 131 Y HA -0.331 4.218 4.550 -0.002 0.000 0.278 131 Y C 2.653 178.545 175.900 -0.013 0.000 1.175 131 Y CA 2.276 60.279 58.100 -0.161 0.000 1.134 131 Y CB -0.437 37.876 38.460 -0.244 0.000 0.965 131 Y HN 0.198 nan 8.280 nan 0.000 0.498 132 R N -0.221 120.169 120.500 -0.182 0.000 2.096 132 R HA -0.173 4.166 4.340 -0.002 0.000 0.235 132 R C 2.210 178.471 176.300 -0.066 0.000 1.127 132 R CA 1.444 57.436 56.100 -0.180 0.000 0.968 132 R CB -0.380 29.739 30.300 -0.301 0.000 0.861 132 R HN 0.346 nan 8.270 nan 0.000 0.440 133 E N 0.337 120.489 120.200 -0.080 0.000 2.085 133 E HA -0.137 4.211 4.350 -0.002 0.000 0.194 133 E C 1.958 178.539 176.600 -0.032 0.000 0.994 133 E CA 1.790 58.169 56.400 -0.036 0.000 0.801 133 E CB -0.519 29.167 29.700 -0.024 0.000 0.743 133 E HN 0.327 nan 8.360 nan 0.000 0.453 134 G N 0.835 109.599 108.800 -0.061 0.000 2.459 134 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.217 134 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.217 134 G C 1.615 176.411 174.900 -0.174 0.000 1.183 134 G CA 1.112 46.146 45.100 -0.110 0.000 0.776 134 G HN 0.306 nan 8.290 nan 0.000 0.552 135 L N 0.423 121.563 121.223 -0.139 0.000 2.012 135 L HA -0.130 4.209 4.340 -0.002 0.000 0.210 135 L C 2.814 179.718 176.870 0.057 0.000 1.073 135 L CA 1.899 56.737 54.840 -0.003 0.000 0.748 135 L CB -0.483 41.602 42.059 0.043 0.000 0.891 135 L HN 0.261 nan 8.230 nan 0.000 0.431 136 K N 0.307 120.816 120.400 0.182 0.000 2.044 136 K HA -0.224 4.095 4.320 -0.002 0.000 0.210 136 K C 1.881 178.487 176.600 0.009 0.000 1.049 136 K CA 1.926 58.310 56.287 0.162 0.000 0.927 136 K CB -0.068 32.574 32.500 0.236 0.000 0.713 136 K HN 0.319 nan 8.250 nan 0.000 0.443 137 N N 0.506 119.173 118.700 -0.055 0.000 2.331 137 N HA -0.068 4.671 4.740 -0.002 0.000 0.180 137 N C 1.737 177.138 175.510 -0.182 0.000 1.019 137 N CA 0.890 53.886 53.050 -0.091 0.000 0.881 137 N CB -0.014 38.426 38.487 -0.079 0.000 0.972 137 N HN 0.300 nan 8.380 nan 0.000 0.435 138 R N -0.545 119.731 120.500 -0.373 0.000 2.080 138 R HA 0.032 4.371 4.340 -0.002 0.000 0.222 138 R C 0.924 176.879 176.300 -0.575 0.000 1.107 138 R CA 1.031 56.717 56.100 -0.690 0.000 0.980 138 R CB -0.028 29.408 30.300 -1.440 0.000 0.879 138 R HN 0.300 nan 8.270 nan 0.000 0.439 139 Y N -0.894 119.377 120.300 -0.049 0.000 2.426 139 Y HA 0.400 4.949 4.550 -0.002 0.000 0.249 139 Y C 0.757 176.617 175.900 -0.067 0.000 1.103 139 Y CA 0.033 58.111 58.100 -0.036 0.000 1.256 139 Y CB 0.983 39.416 38.460 -0.045 0.000 1.208 139 Y HN 0.180 nan 8.280 nan 0.000 0.519 140 G N 0.623 109.441 108.800 0.029 0.000 2.692 140 G HA2 0.076 4.034 3.960 -0.002 0.000 0.686 140 G HA3 0.076 4.034 3.960 -0.002 0.000 0.686 140 G C 0.548 175.411 174.900 -0.061 0.000 1.243 140 G CA -0.406 44.685 45.100 -0.015 0.000 0.782 140 G HN 0.522 nan 8.290 nan 0.000 0.625 141 A N 0.658 123.453 122.820 -0.041 0.000 2.072 141 A HA 0.371 4.689 4.320 -0.002 0.000 0.216 141 A C 2.449 179.933 177.584 -0.167 0.000 1.156 141 A CA 2.139 54.130 52.037 -0.076 0.000 0.701 141 A CB -0.154 18.968 19.000 0.202 0.000 0.816 141 A HN 1.782 nan 8.150 nan 0.000 0.458 142 L N -0.380 120.742 121.223 -0.167 0.000 1.994 142 L HA -0.156 4.183 4.340 -0.002 0.000 0.208 142 L C 2.408 179.170 176.870 -0.179 0.000 1.071 142 L CA 2.537 57.221 54.840 -0.260 0.000 0.745 142 L CB -0.465 41.305 42.059 -0.481 0.000 0.892 142 L HN 0.518 nan 8.230 nan 0.000 0.431 143 M N -1.321 118.201 119.600 -0.130 0.000 2.260 143 M HA -0.242 4.236 4.480 -0.002 0.000 0.261 143 M C 1.478 177.848 176.300 0.116 0.000 1.066 143 M CA 1.611 56.961 55.300 0.082 0.000 1.082 143 M CB -0.160 32.430 32.600 -0.016 0.000 1.388 143 M HN 0.431 nan 8.290 nan 0.000 0.419 144 Q N -0.515 119.209 119.800 -0.126 0.000 2.403 144 Q HA 0.018 4.356 4.340 -0.002 0.000 0.203 144 Q C 1.669 177.645 176.000 -0.041 0.000 0.932 144 Q CA 1.407 57.083 55.803 -0.211 0.000 0.945 144 Q CB 0.081 28.050 28.738 -1.281 0.000 1.045 144 Q HN 0.710 nan 8.270 nan 0.000 0.511 145 T N -3.412 111.177 114.554 0.059 0.000 3.044 145 T HA 0.231 4.579 4.350 -0.002 0.000 0.250 145 T C 1.042 175.834 174.700 0.154 0.000 1.081 145 T CA -0.268 61.904 62.100 0.121 0.000 1.040 145 T CB 0.079 69.011 68.868 0.107 0.000 0.962 145 T HN 0.009 nan 8.240 nan 0.000 0.506 146 I N 4.151 124.844 120.570 0.205 0.000 2.741 146 I HA 0.091 4.260 4.170 -0.002 0.000 0.288 146 I C 0.778 176.922 176.117 0.046 0.000 1.192 146 I CA -0.017 61.372 61.300 0.149 0.000 1.426 146 I CB 0.256 38.368 38.000 0.186 0.000 1.367 146 I HN 0.396 nan 8.210 nan 0.000 0.563 147 S N 4.673 120.404 115.700 0.052 0.000 2.689 147 S HA 0.961 5.430 4.470 -0.002 0.000 0.306 147 S C -0.278 174.320 174.600 -0.004 0.000 1.104 147 S CA -0.440 57.765 58.200 0.008 0.000 0.973 147 S CB 2.370 65.614 63.200 0.073 0.000 1.121 147 S HN 0.855 nan 8.310 nan 0.000 0.523 148 G N -0.547 108.231 108.800 -0.038 0.000 2.649 148 G HA2 0.579 4.538 3.960 -0.002 0.000 0.290 148 G HA3 0.579 4.538 3.960 -0.002 0.000 0.290 148 G C -1.906 172.973 174.900 -0.035 0.000 1.426 148 G CA -0.628 44.470 45.100 -0.003 0.000 0.794 148 G HN 0.914 nan 8.290 nan 0.000 0.483 149 V N 0.320 120.266 119.914 0.052 0.000 2.628 149 V HA 0.541 4.660 4.120 -0.002 0.000 0.306 149 V C -0.643 175.586 176.094 0.226 0.000 1.045 149 V CA -0.690 61.656 62.300 0.077 0.000 0.905 149 V CB 1.601 33.498 31.823 0.123 0.000 0.997 149 V HN 0.775 nan 8.190 nan 0.000 0.436 150 H N 2.901 122.077 119.070 0.177 0.000 2.495 150 H HA 0.490 5.044 4.556 -0.002 0.000 0.348 150 H C -1.612 173.872 175.328 0.261 0.000 1.113 150 H CA -0.608 55.558 56.048 0.196 0.000 1.195 150 H CB 2.173 32.029 29.762 0.157 0.000 1.521 150 H HN 0.650 nan 8.280 nan 0.000 0.509 151 Y N 3.190 123.645 120.300 0.257 0.000 2.328 151 Y HA 0.265 4.813 4.550 -0.002 0.000 0.336 151 Y C -1.095 174.932 175.900 0.211 0.000 0.960 151 Y CA -1.088 57.135 58.100 0.207 0.000 1.134 151 Y CB 0.779 39.351 38.460 0.188 0.000 1.166 151 Y HN 0.611 nan 8.280 nan 0.000 0.464 152 N N 6.836 125.368 118.700 -0.280 0.000 2.400 152 N HA 0.352 5.091 4.740 -0.002 0.000 0.288 152 N C -1.887 173.399 175.510 -0.375 0.000 1.024 152 N CA -0.293 52.658 53.050 -0.166 0.000 0.894 152 N CB 2.074 40.518 38.487 -0.072 0.000 1.173 152 N HN 0.658 nan 8.380 nan 0.000 0.487 153 F N 1.310 121.085 119.950 -0.292 0.000 2.573 153 F HA 0.416 4.942 4.527 -0.002 0.000 0.316 153 F C -0.977 174.804 175.800 -0.032 0.000 1.148 153 F CA -0.569 57.282 58.000 -0.249 0.000 0.940 153 F CB 1.247 40.125 39.000 -0.203 0.000 1.214 153 F HN 0.415 nan 8.300 nan 0.000 0.448 154 S N 5.978 121.236 115.700 -0.736 0.000 2.549 154 S HA 0.754 5.222 4.470 -0.002 0.000 0.280 154 S C -1.261 172.915 174.600 -0.707 0.000 1.109 154 S CA -0.918 56.997 58.200 -0.474 0.000 0.905 154 S CB 1.761 64.910 63.200 -0.086 0.000 1.081 154 S HN 0.783 nan 8.310 nan 0.000 0.477 155 L N 2.702 123.730 121.223 -0.326 0.000 2.418 155 L HA 0.503 4.842 4.340 -0.002 0.000 0.265 155 L C -1.826 174.986 176.870 -0.097 0.000 1.143 155 L CA -1.966 52.665 54.840 -0.349 0.000 0.809 155 L CB 0.645 42.358 42.059 -0.576 0.000 1.124 155 L HN 0.554 nan 8.230 nan 0.000 0.456 156 P HA 0.121 nan 4.420 nan 0.000 0.276 156 P C 0.322 177.699 177.300 0.128 0.000 1.261 156 P CA -0.568 62.546 63.100 0.024 0.000 0.800 156 P CB 0.703 32.406 31.700 0.004 0.000 1.066 157 M N 0.454 120.169 119.600 0.193 0.000 2.159 157 M HA -0.130 4.349 4.480 -0.002 0.000 0.263 157 M C 2.132 178.555 176.300 0.206 0.000 1.063 157 M CA 1.988 57.464 55.300 0.294 0.000 1.110 157 M CB -2.223 30.497 32.600 0.199 0.000 1.374 157 M HN 0.481 nan 8.290 nan 0.000 0.411 158 A N -0.106 122.782 122.820 0.112 0.000 2.009 158 A HA -0.255 4.064 4.320 -0.002 0.000 0.222 158 A C 2.105 179.720 177.584 0.052 0.000 1.175 158 A CA 1.814 53.894 52.037 0.070 0.000 0.651 158 A CB -1.180 17.848 19.000 0.046 0.000 0.815 158 A HN 0.476 nan 8.150 nan 0.000 0.459 159 F N -1.009 118.837 119.950 -0.172 0.000 2.084 159 F HA -0.103 4.422 4.527 -0.002 0.000 0.296 159 F C 1.961 177.595 175.800 -0.277 0.000 1.111 159 F CA 1.760 59.572 58.000 -0.314 0.000 1.224 159 F CB -0.510 38.080 39.000 -0.683 0.000 0.991 159 F HN 0.401 nan 8.300 nan 0.000 0.471 160 W N 0.527 121.884 121.300 0.094 0.000 2.388 160 W HA -0.081 4.578 4.660 -0.002 0.000 0.294 160 W C 2.395 178.869 176.519 -0.075 0.000 1.212 160 W CA 0.852 58.171 57.345 -0.042 0.000 1.271 160 W CB -0.874 28.608 29.460 0.036 0.000 1.126 160 W HN 0.025 nan 8.180 nan 0.000 0.535 161 Q N 0.080 119.978 119.800 0.163 0.000 2.364 161 Q HA -0.064 4.275 4.340 -0.002 0.000 0.207 161 Q C 2.190 178.204 176.000 0.024 0.000 0.970 161 Q CA 1.307 57.162 55.803 0.086 0.000 0.888 161 Q CB -0.244 28.544 28.738 0.083 0.000 0.951 161 Q HN 0.322 nan 8.270 nan 0.000 0.469 162 A N -0.121 122.693 122.820 -0.010 0.000 2.267 162 A HA 0.056 4.375 4.320 -0.002 0.000 0.213 162 A C 0.663 178.291 177.584 0.073 0.000 1.192 162 A CA -0.057 51.968 52.037 -0.020 0.000 0.851 162 A CB 0.332 19.278 19.000 -0.090 0.000 0.881 162 A HN -0.051 nan 8.150 nan 0.000 0.494 174 E N 1.284 121.445 120.200 -0.065 0.000 2.385 174 E HA 0.027 4.376 4.350 -0.002 0.000 0.194 174 E C 1.871 178.430 176.600 -0.069 0.000 1.013 174 E CA 1.435 57.816 56.400 -0.031 0.000 0.866 174 E CB 0.485 30.186 29.700 0.001 0.000 0.832 174 E HN 0.584 nan 8.360 nan 0.000 0.500 175 K N 0.137 120.464 120.400 -0.122 0.000 2.097 175 K HA 0.032 4.350 4.320 -0.002 0.000 0.205 175 K C 2.242 178.615 176.600 -0.378 0.000 1.050 175 K CA 0.887 57.081 56.287 -0.155 0.000 0.938 175 K CB -1.132 31.308 32.500 -0.100 0.000 0.718 175 K HN 0.184 nan 8.250 nan 0.000 0.442 176 I N 1.731 121.933 120.570 -0.613 0.000 2.202 176 I HA -0.182 3.987 4.170 -0.002 0.000 0.242 176 I C 2.699 178.486 176.117 -0.550 0.000 1.091 176 I CA 1.614 62.242 61.300 -1.121 0.000 1.368 176 I CB -0.521 36.912 38.000 -0.945 0.000 1.058 176 I HN 0.252 nan 8.210 nan 0.000 0.410 177 S N 0.848 116.427 115.700 -0.202 0.000 2.370 177 S HA -0.213 4.256 4.470 -0.002 0.000 0.226 177 S C 2.216 176.888 174.600 0.120 0.000 1.033 177 S CA 1.547 59.746 58.200 -0.003 0.000 1.011 177 S CB -0.381 62.891 63.200 0.120 0.000 0.852 177 S HN 0.558 nan 8.310 nan 0.000 0.457 178 A N 1.273 124.140 122.820 0.079 0.000 1.930 178 A HA 0.151 4.469 4.320 -0.002 0.000 0.217 178 A C 2.317 179.973 177.584 0.119 0.000 1.175 178 A CA 1.567 53.700 52.037 0.161 0.000 0.627 178 A CB -1.311 17.730 19.000 0.069 0.000 0.815 178 A HN 0.515 nan 8.150 nan 0.000 0.443 179 G N -1.295 107.492 108.800 -0.023 0.000 2.446 179 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.217 179 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.217 179 G C 1.424 176.349 174.900 0.041 0.000 1.168 179 G CA 1.271 46.416 45.100 0.075 0.000 0.771 179 G HN 0.523 nan 8.290 nan 0.000 0.551 180 Y N -0.355 119.988 120.300 0.072 0.000 2.314 180 Y HA 0.144 4.693 4.550 -0.002 0.000 0.293 180 Y C 2.417 178.255 175.900 -0.103 0.000 1.129 180 Y CA 0.169 58.250 58.100 -0.032 0.000 1.201 180 Y CB -0.450 37.903 38.460 -0.178 0.000 0.999 180 Y HN 0.160 nan 8.280 nan 0.000 0.541 181 F N -0.119 119.925 119.950 0.158 0.000 2.186 181 F HA -0.120 4.406 4.527 -0.002 0.000 0.299 181 F C 2.551 178.423 175.800 0.120 0.000 1.090 181 F CA 1.326 59.400 58.000 0.123 0.000 1.307 181 F CB -0.540 38.521 39.000 0.102 0.000 1.019 181 F HN -0.089 nan 8.300 nan 0.000 0.489 182 R N 0.400 121.062 120.500 0.270 0.000 2.073 182 R HA -0.141 4.198 4.340 -0.002 0.000 0.234 182 R C 2.108 178.494 176.300 0.143 0.000 1.134 182 R CA 1.791 57.993 56.100 0.170 0.000 0.952 182 R CB -0.799 29.566 30.300 0.108 0.000 0.850 182 R HN 0.116 nan 8.270 nan 0.000 0.433 183 V N 1.415 121.410 119.914 0.134 0.000 2.278 183 V HA -0.319 3.799 4.120 -0.002 0.000 0.251 183 V C 2.387 178.571 176.094 0.150 0.000 1.062 183 V CA 2.280 64.650 62.300 0.116 0.000 1.038 183 V CB -0.435 31.496 31.823 0.180 0.000 0.646 183 V HN 0.385 nan 8.190 nan 0.000 0.447 184 I N -0.766 119.890 120.570 0.143 0.000 2.226 184 I HA -0.248 3.921 4.170 -0.002 0.000 0.245 184 I C 2.752 179.033 176.117 0.274 0.000 1.100 184 I CA 1.589 62.963 61.300 0.123 0.000 1.374 184 I CB -0.453 37.546 38.000 -0.002 0.000 1.057 184 I HN 0.247 nan 8.210 nan 0.000 0.413 185 R N 0.499 121.154 120.500 0.258 0.000 2.092 185 R HA -0.100 4.239 4.340 -0.002 0.000 0.231 185 R C 2.055 178.517 176.300 0.269 0.000 1.119 185 R CA 1.155 57.411 56.100 0.260 0.000 0.970 185 R CB -0.390 30.034 30.300 0.207 0.000 0.864 185 R HN 0.407 nan 8.270 nan 0.000 0.440 186 N N 0.368 119.222 118.700 0.257 0.000 2.188 186 N HA -0.186 4.553 4.740 -0.002 0.000 0.184 186 N C 1.539 177.291 175.510 0.402 0.000 1.018 186 N CA 1.052 54.305 53.050 0.338 0.000 0.858 186 N CB -0.306 38.341 38.487 0.267 0.000 0.989 186 N HN 0.258 nan 8.380 nan 0.000 0.426 187 Y N 0.434 120.871 120.300 0.230 0.000 2.181 187 Y HA -0.206 4.343 4.550 -0.002 0.000 0.288 187 Y C 1.849 177.964 175.900 0.358 0.000 1.146 187 Y CA 1.468 59.734 58.100 0.276 0.000 1.164 187 Y CB -0.457 38.083 38.460 0.133 0.000 0.982 187 Y HN 0.016 nan 8.280 nan 0.000 0.515 188 Y N -0.137 120.391 120.300 0.381 0.000 2.293 188 Y HA -0.166 4.383 4.550 -0.002 0.000 0.291 188 Y C 2.520 178.647 175.900 0.379 0.000 1.137 188 Y CA 1.723 60.034 58.100 0.352 0.000 1.202 188 Y CB -0.191 38.358 38.460 0.148 0.000 0.990 188 Y HN 0.010 nan 8.280 nan 0.000 0.537 189 R N -1.576 119.035 120.500 0.185 0.000 2.075 189 R HA -0.035 4.303 4.340 -0.002 0.000 0.226 189 R C 0.714 176.770 176.300 -0.407 0.000 1.114 189 R CA 1.446 57.368 56.100 -0.297 0.000 0.972 189 R CB -0.134 29.591 30.300 -0.958 0.000 0.869 189 R HN 0.242 nan 8.270 nan 0.000 0.437 190 F N -2.247 117.802 119.950 0.166 0.000 2.746 190 F HA 0.347 4.873 4.527 -0.002 0.000 0.320 190 F C 1.713 176.999 175.800 -0.858 0.000 1.097 190 F CA -0.382 57.437 58.000 -0.302 0.000 1.195 190 F CB 0.365 39.363 39.000 -0.004 0.000 1.056 190 F HN -0.021 nan 8.300 nan 0.000 0.562 191 G N 0.694 109.218 108.800 -0.460 0.000 2.744 191 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.211 191 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.211 191 G C 1.272 175.396 174.900 -1.293 0.000 1.143 191 G CA 0.184 44.833 45.100 -0.752 0.000 0.788 191 G HN 0.600 nan 8.290 nan 0.000 0.534 192 W N 0.056 120.412 121.300 -1.573 0.000 2.538 192 W HA -0.008 4.650 4.660 -0.002 0.000 0.254 192 W C 1.309 177.445 176.519 -0.638 0.000 1.249 192 W CA 0.305 56.766 57.345 -1.473 0.000 1.253 192 W CB -0.918 27.838 29.460 -1.172 0.000 1.130 192 W HN 0.071 nan 8.180 nan 0.000 0.618 193 V N 2.126 121.441 119.914 -0.999 0.000 2.759 193 V HA -0.256 3.863 4.120 -0.002 0.000 0.256 193 V C 2.120 177.987 176.094 -0.379 0.000 1.080 193 V CA 1.637 63.545 62.300 -0.653 0.000 1.101 193 V CB -0.286 30.968 31.823 -0.949 0.000 0.698 193 V HN 0.135 nan 8.190 nan 0.000 0.477 194 I N 1.027 121.388 120.570 -0.348 0.000 2.162 194 I HA -0.058 4.111 4.170 -0.002 0.000 0.238 194 I C -0.054 176.033 176.117 -0.049 0.000 1.076 194 I CA 1.516 62.756 61.300 -0.099 0.000 1.353 194 I CB -1.386 36.703 38.000 0.149 0.000 1.063 194 I HN 0.326 nan 8.210 nan 0.000 0.408 195 P HA -0.223 nan 4.420 nan 0.000 0.220 195 P C 1.494 178.784 177.300 -0.016 0.000 1.148 195 P CA 1.565 64.714 63.100 0.082 0.000 0.803 195 P CB -0.195 31.615 31.700 0.183 0.000 0.782 196 Y N 1.116 121.333 120.300 -0.139 0.000 2.114 196 Y HA -0.174 4.375 4.550 -0.002 0.000 0.284 196 Y C 2.352 178.006 175.900 -0.411 0.000 1.143 196 Y CA 1.641 59.626 58.100 -0.193 0.000 1.135 196 Y CB -1.067 37.333 38.460 -0.100 0.000 0.980 196 Y HN -0.246 nan 8.280 nan 0.000 0.499 197 L N -1.786 119.025 121.223 -0.687 0.000 2.109 197 L HA -0.132 4.207 4.340 -0.002 0.000 0.207 197 L C 1.100 177.213 176.870 -1.261 0.000 1.086 197 L CA 1.079 55.187 54.840 -1.220 0.000 0.760 197 L CB -0.258 40.724 42.059 -1.794 0.000 0.910 197 L HN 0.196 nan 8.230 nan 0.000 0.437 198 F N -1.065 118.564 119.950 -0.536 0.000 2.798 198 F HA 0.332 4.858 4.527 -0.002 0.000 0.328 198 F C 1.374 177.118 175.800 -0.094 0.000 1.098 198 F CA -1.002 56.637 58.000 -0.603 0.000 1.172 198 F CB -0.644 38.068 39.000 -0.480 0.000 1.072 198 F HN -0.185 nan 8.300 nan 0.000 0.555 199 G N 0.739 109.581 108.800 0.069 0.000 2.432 199 G HA2 0.375 4.334 3.960 -0.002 0.000 0.239 199 G HA3 0.375 4.334 3.960 -0.002 0.000 0.239 199 G C 0.280 175.291 174.900 0.185 0.000 1.291 199 G CA 0.415 45.597 45.100 0.137 0.000 0.863 199 G HN 0.374 nan 8.290 nan 0.000 0.560 200 A N 1.264 124.186 122.820 0.169 0.000 2.897 200 A HA 0.552 4.870 4.320 -0.002 0.000 0.230 200 A C 0.501 178.112 177.584 0.044 0.000 0.896 200 A CA 0.263 52.371 52.037 0.120 0.000 1.114 200 A CB 0.088 19.146 19.000 0.097 0.000 1.230 200 A HN 1.465 nan 8.150 nan 0.000 0.481 201 S N -0.322 115.418 115.700 0.066 0.000 2.407 201 S HA 0.364 4.832 4.470 -0.002 0.000 0.166 201 S C -2.234 172.413 174.600 0.078 0.000 1.445 201 S CA -0.687 57.542 58.200 0.049 0.000 1.260 201 S CB 0.863 64.086 63.200 0.037 0.000 1.401 201 S HN 0.202 nan 8.310 nan 0.000 0.379 202 P HA 0.306 nan 4.420 nan 0.000 0.245 202 P C 0.348 177.761 177.300 0.189 0.000 1.206 202 P CA 0.375 63.554 63.100 0.132 0.000 0.781 202 P CB 0.153 31.916 31.700 0.104 0.000 0.994 203 A N -0.225 122.677 122.820 0.136 0.000 2.423 203 A HA 0.777 5.095 4.320 -0.002 0.000 0.304 203 A C -1.177 176.445 177.584 0.064 0.000 1.104 203 A CA -0.837 51.296 52.037 0.160 0.000 0.757 203 A CB 1.332 20.407 19.000 0.125 0.000 1.313 203 A HN 0.072 nan 8.150 nan 0.000 0.423 204 I N 0.813 121.408 120.570 0.042 0.000 2.656 204 I HA 0.445 4.614 4.170 -0.002 0.000 0.292 204 I C 0.381 176.513 176.117 0.025 0.000 1.144 204 I CA -0.306 60.952 61.300 -0.070 0.000 1.038 204 I CB 2.307 40.219 38.000 -0.148 0.000 1.244 204 I HN 0.870 nan 8.210 nan 0.000 0.420 205 S N 3.470 119.203 115.700 0.054 0.000 2.603 205 S HA 0.136 4.605 4.470 -0.002 0.000 0.268 205 S C 1.187 175.918 174.600 0.217 0.000 1.317 205 S CA 0.092 58.380 58.200 0.147 0.000 1.012 205 S CB 1.468 64.738 63.200 0.117 0.000 0.926 205 S HN 0.765 nan 8.310 nan 0.000 0.539 206 S N 1.402 117.243 115.700 0.234 0.000 2.447 206 S HA -0.105 4.364 4.470 -0.002 0.000 0.233 206 S C 1.804 176.449 174.600 0.075 0.000 1.006 206 S CA 0.972 59.291 58.200 0.198 0.000 0.957 206 S CB -1.051 62.344 63.200 0.325 0.000 0.773 206 S HN 0.667 nan 8.310 nan 0.000 0.507 207 S N 1.564 117.320 115.700 0.094 0.000 2.392 207 S HA -0.060 4.409 4.470 -0.002 0.000 0.232 207 S C 1.085 175.619 174.600 -0.109 0.000 1.041 207 S CA 1.539 59.727 58.200 -0.021 0.000 1.026 207 S CB -0.577 62.590 63.200 -0.054 0.000 0.845 207 S HN 0.656 nan 8.310 nan 0.000 0.465 208 F N 1.044 120.953 119.950 -0.068 0.000 2.802 208 F HA 0.284 4.810 4.527 -0.002 0.000 0.300 208 F C 0.892 176.626 175.800 -0.111 0.000 1.168 208 F CA 0.214 58.170 58.000 -0.073 0.000 1.433 208 F CB -0.281 38.685 39.000 -0.057 0.000 1.115 208 F HN 0.077 nan 8.300 nan 0.000 0.582 215 S N 3.117 118.827 115.700 0.016 0.000 2.603 215 S HA 0.393 4.861 4.470 -0.002 0.000 0.232 215 S C 0.564 175.134 174.600 -0.051 0.000 1.016 215 S CA -0.457 57.741 58.200 -0.002 0.000 0.976 215 S CB -0.288 62.911 63.200 -0.003 0.000 0.921 215 S HN 0.641 nan 8.310 nan 0.000 0.516 216 L N 3.252 124.404 121.223 -0.119 0.000 2.490 216 L HA 0.253 4.591 4.340 -0.002 0.000 0.274 216 L C -1.685 175.008 176.870 -0.295 0.000 1.201 216 L CA -1.426 53.228 54.840 -0.310 0.000 0.869 216 L CB 0.089 41.751 42.059 -0.662 0.000 1.123 216 L HN 0.104 nan 8.230 nan 0.000 0.484 217 P HA -0.007 nan 4.420 nan 0.000 0.249 217 P C -0.246 176.988 177.300 -0.109 0.000 1.686 217 P CA -0.213 62.815 63.100 -0.119 0.000 0.873 217 P CB -0.415 31.233 31.700 -0.086 0.000 1.828 218 F N 1.389 121.329 119.950 -0.017 0.000 2.623 218 F HA -0.042 4.484 4.527 -0.002 0.000 0.383 218 F C 1.527 177.258 175.800 -0.114 0.000 1.077 218 F CA 0.751 58.733 58.000 -0.030 0.000 1.268 218 F CB 0.119 39.186 39.000 0.112 0.000 1.053 218 F HN 0.066 nan 8.300 nan 0.000 0.571 219 E N 2.837 122.951 120.200 -0.143 0.000 2.314 219 E HA 0.296 4.644 4.350 -0.002 0.000 0.262 219 E C -0.438 175.968 176.600 -0.324 0.000 1.093 219 E CA -0.626 55.544 56.400 -0.383 0.000 0.908 219 E CB 1.483 30.606 29.700 -0.961 0.000 1.091 219 E HN 0.432 nan 8.360 nan 0.000 0.425 220 K N 0.793 121.051 120.400 -0.237 0.000 2.513 220 K HA 0.220 4.539 4.320 -0.002 0.000 0.251 220 K C -0.570 175.965 176.600 -0.108 0.000 0.939 220 K CA -0.381 55.733 56.287 -0.290 0.000 0.793 220 K CB 1.392 33.617 32.500 -0.459 0.000 1.241 220 K HN 0.638 nan 8.250 nan 0.000 0.431 221 T N -0.172 114.363 114.554 -0.032 0.000 2.816 221 T HA 0.075 4.424 4.350 -0.002 0.000 0.282 221 T C 1.159 175.831 174.700 -0.047 0.000 0.993 221 T CA -0.258 61.854 62.100 0.020 0.000 0.994 221 T CB 1.311 70.207 68.868 0.048 0.000 1.025 221 T HN 0.703 nan 8.240 nan 0.000 0.529 222 E N 0.608 120.795 120.200 -0.021 0.000 2.153 222 E HA -0.133 4.215 4.350 -0.002 0.000 0.194 222 E C 2.106 178.687 176.600 -0.031 0.000 0.988 222 E CA 1.686 58.070 56.400 -0.026 0.000 0.811 222 E CB -0.604 29.090 29.700 -0.010 0.000 0.746 222 E HN 0.762 nan 8.360 nan 0.000 0.466 223 S N -1.618 114.066 115.700 -0.027 0.000 2.603 223 S HA 0.201 4.670 4.470 -0.002 0.000 0.220 223 S C 1.528 176.103 174.600 -0.042 0.000 0.967 223 S CA 0.470 58.657 58.200 -0.022 0.000 0.920 223 S CB 0.115 63.311 63.200 -0.006 0.000 0.773 223 S HN 0.538 nan 8.310 nan 0.000 0.529 224 G N 0.751 109.497 108.800 -0.089 0.000 2.163 224 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.213 224 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.213 224 G C -0.140 174.633 174.900 -0.212 0.000 0.991 224 G CA 0.045 45.057 45.100 -0.148 0.000 0.653 224 G HN 0.582 nan 8.290 nan 0.000 0.518 225 M N 0.991 120.502 119.600 -0.148 0.000 2.211 225 M HA 0.650 5.128 4.480 -0.002 0.000 0.356 225 M C -0.269 175.936 176.300 -0.157 0.000 1.216 225 M CA -0.550 54.706 55.300 -0.074 0.000 1.134 225 M CB 0.464 33.074 32.600 0.017 0.000 1.564 225 M HN 0.119 nan 8.290 nan 0.000 0.463 226 Y N 4.378 124.661 120.300 -0.029 0.000 2.334 226 Y HA 0.510 5.059 4.550 -0.002 0.000 0.328 226 Y C -0.625 175.319 175.900 0.073 0.000 1.130 226 Y CA -0.123 57.903 58.100 -0.122 0.000 1.163 226 Y CB 1.002 39.148 38.460 -0.523 0.000 1.207 226 Y HN 0.618 nan 8.280 nan 0.000 0.471 227 Y N -0.543 119.898 120.300 0.234 0.000 2.656 227 Y HA 0.736 5.285 4.550 -0.002 0.000 0.334 227 Y C -2.323 173.801 175.900 0.373 0.000 1.179 227 Y CA -1.925 56.334 58.100 0.265 0.000 1.050 227 Y CB 0.891 39.417 38.460 0.110 0.000 1.308 227 Y HN 0.406 nan 8.280 nan 0.000 0.456 228 L N 3.696 125.144 121.223 0.375 0.000 2.307 228 L HA 0.484 4.822 4.340 -0.002 0.000 0.284 228 L C -1.589 175.409 176.870 0.213 0.000 1.023 228 L CA -2.127 52.798 54.840 0.141 0.000 0.810 228 L CB 2.289 44.379 42.059 0.053 0.000 1.231 228 L HN 0.539 nan 8.230 nan 0.000 0.423 229 P HA -0.181 nan 4.420 nan 0.000 0.219 229 P C 0.394 177.472 177.300 -0.370 0.000 1.146 229 P CA 1.571 64.583 63.100 -0.146 0.000 0.808 229 P CB 0.110 31.507 31.700 -0.505 0.000 0.779 230 Y N -1.152 119.219 120.300 0.119 0.000 2.660 230 Y HA 0.515 5.064 4.550 -0.002 0.000 0.254 230 Y C 1.302 177.244 175.900 0.071 0.000 1.176 230 Y CA -1.113 57.033 58.100 0.077 0.000 1.195 230 Y CB -0.518 37.976 38.460 0.055 0.000 1.190 230 Y HN -0.100 nan 8.280 nan 0.000 0.535 231 A N 0.434 123.366 122.820 0.188 0.000 2.386 231 A HA 0.407 4.726 4.320 -0.002 0.000 0.248 231 A C 1.346 179.006 177.584 0.126 0.000 1.082 231 A CA 0.675 52.805 52.037 0.156 0.000 0.789 231 A CB 0.329 19.426 19.000 0.161 0.000 1.025 231 A HN 0.420 nan 8.150 nan 0.000 0.490 232 T N -2.213 112.410 114.554 0.115 0.000 3.114 232 T HA 0.294 4.642 4.350 -0.002 0.000 0.240 232 T C 0.700 175.463 174.700 0.106 0.000 0.983 232 T CA 0.791 62.940 62.100 0.081 0.000 1.151 232 T CB -0.013 68.891 68.868 0.060 0.000 0.974 232 T HN 0.975 nan 8.240 nan 0.000 0.442 233 S N 0.351 116.130 115.700 0.132 0.000 2.383 233 S HA 0.481 4.950 4.470 -0.002 0.000 0.196 233 S C 0.435 175.120 174.600 0.141 0.000 1.364 233 S CA -0.693 57.591 58.200 0.140 0.000 1.212 233 S CB -0.096 63.207 63.200 0.172 0.000 1.171 233 S HN 0.415 nan 8.310 nan 0.000 0.456 234 L N 3.122 124.417 121.223 0.121 0.000 2.465 234 L HA 0.087 4.426 4.340 -0.002 0.000 0.224 234 L C 2.627 179.544 176.870 0.079 0.000 1.145 234 L CA 0.591 55.500 54.840 0.115 0.000 0.834 234 L CB -0.304 41.832 42.059 0.127 0.000 0.944 234 L HN 0.597 nan 8.230 nan 0.000 0.451 235 R N 1.188 121.731 120.500 0.071 0.000 2.127 235 R HA -0.153 4.185 4.340 -0.002 0.000 0.238 235 R C 1.774 178.145 176.300 0.118 0.000 1.134 235 R CA 1.374 57.520 56.100 0.077 0.000 0.975 235 R CB -0.085 30.267 30.300 0.087 0.000 0.865 235 R HN 0.386 nan 8.270 nan 0.000 0.447 236 L N 1.155 122.463 121.223 0.141 0.000 2.607 236 L HA 0.149 4.488 4.340 -0.002 0.000 0.228 236 L C 0.863 177.808 176.870 0.126 0.000 1.123 236 L CA -0.260 54.671 54.840 0.152 0.000 0.890 236 L CB 0.259 42.457 42.059 0.230 0.000 1.103 236 L HN 0.201 nan 8.230 nan 0.000 0.468 237 S N -1.848 113.920 115.700 0.113 0.000 2.661 237 S HA 0.101 4.570 4.470 -0.002 0.000 0.265 237 S C 0.809 175.449 174.600 0.067 0.000 1.225 237 S CA -0.586 57.674 58.200 0.101 0.000 0.986 237 S CB 1.116 64.385 63.200 0.115 0.000 1.008 237 S HN 0.038 nan 8.310 nan 0.000 0.565 238 D N 0.456 120.895 120.400 0.065 0.000 2.190 238 D HA -0.056 4.583 4.640 -0.002 0.000 0.200 238 D C 1.533 177.866 176.300 0.054 0.000 0.992 238 D CA 1.180 55.208 54.000 0.047 0.000 0.854 238 D CB -0.464 40.369 40.800 0.055 0.000 0.936 238 D HN 0.516 nan 8.370 nan 0.000 0.462 239 L N -0.509 120.771 121.223 0.094 0.000 2.554 239 L HA 0.182 4.521 4.340 -0.002 0.000 0.226 239 L C 1.693 178.644 176.870 0.134 0.000 1.137 239 L CA 0.006 54.923 54.840 0.128 0.000 0.863 239 L CB -0.190 41.968 42.059 0.166 0.000 0.985 239 L HN -0.030 nan 8.230 nan 0.000 0.451 240 G N -1.560 107.285 108.800 0.077 0.000 2.882 240 G HA2 -0.025 3.934 3.960 -0.002 0.000 0.164 240 G HA3 -0.025 3.934 3.960 -0.002 0.000 0.164 240 G C -0.926 174.004 174.900 0.051 0.000 1.429 240 G CA -0.346 44.800 45.100 0.075 0.000 1.059 240 G HN 0.024 nan 8.290 nan 0.000 0.581 241 Y N 2.257 122.511 120.300 -0.078 0.000 2.736 241 Y HA 0.443 4.991 4.550 -0.002 0.000 0.339 241 Y C 0.462 176.102 175.900 -0.435 0.000 1.301 241 Y CA -0.159 57.824 58.100 -0.196 0.000 1.676 241 Y CB -0.503 37.910 38.460 -0.077 0.000 1.725 241 Y HN 0.521 nan 8.280 nan 0.000 0.466 242 T N -1.031 113.099 114.554 -0.706 0.000 2.841 242 T HA 0.529 4.878 4.350 -0.002 0.000 0.296 242 T C 0.352 174.603 174.700 -0.748 0.000 1.166 242 T CA -0.496 61.195 62.100 -0.681 0.000 1.007 242 T CB 0.285 69.020 68.868 -0.222 0.000 1.253 242 T HN 0.667 nan 8.240 nan 0.000 0.511 247 S N 0.349 116.110 115.700 0.102 0.000 2.440 247 S HA -0.207 4.262 4.470 -0.002 0.000 0.238 247 S C 1.533 176.166 174.600 0.056 0.000 1.010 247 S CA 1.509 59.760 58.200 0.086 0.000 0.972 247 S CB -1.172 62.077 63.200 0.082 0.000 0.774 247 S HN 0.517 nan 8.310 nan 0.000 0.501 248 N N 1.633 120.363 118.700 0.051 0.000 2.513 248 N HA 0.134 4.873 4.740 -0.002 0.000 0.187 248 N C 1.730 177.251 175.510 0.019 0.000 1.056 248 N CA 1.346 54.414 53.050 0.031 0.000 0.907 248 N CB -0.856 37.647 38.487 0.026 0.000 0.954 248 N HN 0.629 nan 8.380 nan 0.000 0.445 249 L N -0.992 120.246 121.223 0.025 0.000 2.395 249 L HA 0.191 4.530 4.340 -0.002 0.000 0.218 249 L C 2.079 178.937 176.870 -0.019 0.000 1.130 249 L CA 0.602 55.445 54.840 0.005 0.000 0.826 249 L CB -0.214 41.853 42.059 0.013 0.000 0.941 249 L HN 0.490 nan 8.230 nan 0.000 0.451 250 G N 1.281 110.073 108.800 -0.014 0.000 2.249 250 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.273 250 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.273 250 G C 0.064 174.914 174.900 -0.083 0.000 1.036 250 G CA -0.033 45.045 45.100 -0.037 0.000 0.824 250 G HN 0.219 nan 8.290 nan 0.000 0.504 251 I N 1.511 122.019 120.570 -0.105 0.000 2.588 251 I HA 0.474 4.643 4.170 -0.002 0.000 0.283 251 I C 1.223 177.128 176.117 -0.354 0.000 1.119 251 I CA 1.220 62.392 61.300 -0.214 0.000 1.419 251 I CB 1.119 39.006 38.000 -0.188 0.000 1.394 251 I HN 0.409 nan 8.210 nan 0.000 0.562 252 T N 1.673 115.940 114.554 -0.479 0.000 2.864 252 T HA 0.618 4.967 4.350 -0.002 0.000 0.289 252 T C -0.338 173.926 174.700 -0.726 0.000 1.082 252 T CA -0.512 61.292 62.100 -0.494 0.000 1.009 252 T CB 1.193 69.944 68.868 -0.197 0.000 1.234 252 T HN 0.182 nan 8.240 nan 0.000 0.526 253 F N 0.795 120.730 119.950 -0.025 0.000 2.818 253 F HA 0.440 4.965 4.527 -0.002 0.000 0.369 253 F C 1.258 176.918 175.800 -0.232 0.000 1.327 253 F CA -0.966 57.024 58.000 -0.017 0.000 1.211 253 F CB 0.101 39.222 39.000 0.202 0.000 1.036 253 F HN 0.431 nan 8.300 nan 0.000 0.510 254 N N 0.285 118.813 118.700 -0.287 0.000 2.415 254 N HA 0.037 4.776 4.740 -0.002 0.000 0.174 254 N C -0.301 174.953 175.510 -0.425 0.000 1.048 254 N CA 0.557 53.460 53.050 -0.245 0.000 0.895 254 N CB 0.701 39.110 38.487 -0.130 0.000 1.036 254 N HN 0.370 nan 8.380 nan 0.000 0.449 255 D N -0.875 119.108 120.400 -0.695 0.000 2.886 255 D HA 0.115 4.754 4.640 -0.002 0.000 0.216 255 D C 0.455 176.461 176.300 -0.489 0.000 1.256 255 D CA -0.571 53.142 54.000 -0.479 0.000 0.844 255 D CB 1.173 41.863 40.800 -0.183 0.000 1.669 255 D HN -0.239 nan 8.370 nan 0.000 0.513 256 L N 3.787 124.939 121.223 -0.117 0.000 2.013 256 L HA -0.100 4.239 4.340 -0.002 0.000 0.212 256 L C 1.234 178.220 176.870 0.194 0.000 1.073 256 L CA 1.899 56.902 54.840 0.271 0.000 0.753 256 L CB -0.675 41.609 42.059 0.376 0.000 0.890 256 L HN 0.691 nan 8.230 nan 0.000 0.432 257 Y N -0.005 120.317 120.300 0.038 0.000 2.220 257 Y HA -0.172 4.376 4.550 -0.002 0.000 0.291 257 Y C 2.644 178.531 175.900 -0.020 0.000 1.129 257 Y CA 1.742 59.851 58.100 0.015 0.000 1.161 257 Y CB -0.251 38.204 38.460 -0.008 0.000 0.997 257 Y HN 0.309 nan 8.280 nan 0.000 0.522 258 E N -1.045 119.208 120.200 0.087 0.000 2.085 258 E HA -0.303 4.045 4.350 -0.002 0.000 0.194 258 E C 1.860 178.433 176.600 -0.045 0.000 0.994 258 E CA 1.593 57.986 56.400 -0.012 0.000 0.801 258 E CB -0.359 29.298 29.700 -0.071 0.000 0.743 258 E HN 0.544 nan 8.360 nan 0.000 0.453 259 Y N 0.663 120.874 120.300 -0.149 0.000 2.133 259 Y HA -0.224 4.325 4.550 -0.002 0.000 0.287 259 Y C 2.093 177.953 175.900 -0.067 0.000 1.134 259 Y CA 1.304 59.328 58.100 -0.128 0.000 1.133 259 Y CB -0.467 38.008 38.460 0.025 0.000 0.987 259 Y HN -0.173 nan 8.280 nan 0.000 0.502 260 V N 0.821 120.663 119.914 -0.119 0.000 2.343 260 V HA -0.329 3.789 4.120 -0.002 0.000 0.247 260 V C 2.707 178.662 176.094 -0.232 0.000 1.051 260 V CA 1.780 63.940 62.300 -0.233 0.000 1.036 260 V CB -1.674 30.056 31.823 -0.153 0.000 0.654 260 V HN 0.593 nan 8.190 nan 0.000 0.451 261 A N 0.641 123.369 122.820 -0.153 0.000 1.883 261 A HA -0.135 4.183 4.320 -0.002 0.000 0.217 261 A C 2.457 179.956 177.584 -0.142 0.000 1.186 261 A CA 2.085 54.054 52.037 -0.112 0.000 0.624 261 A CB -1.340 17.633 19.000 -0.045 0.000 0.822 261 A HN 0.528 nan 8.150 nan 0.000 0.444 262 G N -0.430 108.261 108.800 -0.182 0.000 2.442 262 G HA2 -0.156 3.803 3.960 -0.002 0.000 0.219 262 G HA3 -0.156 3.803 3.960 -0.002 0.000 0.219 262 G C 1.481 176.255 174.900 -0.209 0.000 1.141 262 G CA 1.291 46.280 45.100 -0.185 0.000 0.763 262 G HN 0.467 nan 8.290 nan 0.000 0.554 263 L N 0.555 121.586 121.223 -0.320 0.000 2.027 263 L HA 0.140 4.478 4.340 -0.002 0.000 0.206 263 L C 2.705 179.472 176.870 -0.170 0.000 1.074 263 L CA 1.858 56.525 54.840 -0.288 0.000 0.745 263 L CB -0.612 41.170 42.059 -0.461 0.000 0.898 263 L HN 0.127 nan 8.230 nan 0.000 0.433 264 K N -0.993 119.311 120.400 -0.160 0.000 2.057 264 K HA -0.236 4.082 4.320 -0.002 0.000 0.207 264 K C 2.148 178.701 176.600 -0.078 0.000 1.049 264 K CA 1.461 57.685 56.287 -0.105 0.000 0.931 264 K CB -0.218 32.222 32.500 -0.099 0.000 0.714 264 K HN 0.257 nan 8.250 nan 0.000 0.440 265 Q N 1.032 120.783 119.800 -0.082 0.000 2.112 265 Q HA -0.158 4.181 4.340 -0.002 0.000 0.206 265 Q C 1.877 177.851 176.000 -0.045 0.000 0.987 265 Q CA 2.122 57.890 55.803 -0.059 0.000 0.858 265 Q CB -0.429 28.273 28.738 -0.060 0.000 0.905 265 Q HN 0.332 nan 8.270 nan 0.000 0.420 266 A N 0.216 123.004 122.820 -0.053 0.000 1.940 266 A HA -0.159 4.160 4.320 -0.002 0.000 0.219 266 A C 1.942 179.525 177.584 -0.002 0.000 1.176 266 A CA 1.519 53.540 52.037 -0.025 0.000 0.631 266 A CB -0.723 18.257 19.000 -0.033 0.000 0.814 266 A HN 0.472 nan 8.150 nan 0.000 0.446 267 I N 0.120 120.681 120.570 -0.014 0.000 2.567 267 I HA -0.198 3.971 4.170 -0.002 0.000 0.257 267 I C 1.834 177.958 176.117 0.011 0.000 1.184 267 I CA 1.960 63.262 61.300 0.004 0.000 1.451 267 I CB -0.743 37.249 38.000 -0.013 0.000 1.089 267 I HN 0.614 nan 8.210 nan 0.000 0.441 268 K N -0.375 120.024 120.400 -0.002 0.000 2.413 268 K HA 0.196 4.515 4.320 -0.002 0.000 0.204 268 K C 0.200 176.803 176.600 0.004 0.000 1.041 268 K CA -0.060 56.227 56.287 -0.000 0.000 1.082 268 K CB 0.045 32.536 32.500 -0.015 0.000 0.871 268 K HN -0.095 nan 8.250 nan 0.000 0.535 269 T N 4.549 119.109 114.554 0.009 0.000 2.737 269 T HA 0.233 4.581 4.350 -0.002 0.000 0.296 269 T C -2.589 172.125 174.700 0.024 0.000 0.922 269 T CA -1.391 60.714 62.100 0.009 0.000 1.079 269 T CB 1.120 69.992 68.868 0.006 0.000 0.892 269 T HN 0.083 nan 8.240 nan 0.000 0.514 270 P HA 0.264 nan 4.420 nan 0.000 0.275 270 P C -0.661 176.641 177.300 0.004 0.000 1.228 270 P CA -0.543 62.570 63.100 0.022 0.000 0.786 270 P CB 0.649 32.356 31.700 0.011 0.000 0.927 271 S N 0.669 116.373 115.700 0.008 0.000 2.438 271 S HA 0.126 4.595 4.470 -0.002 0.000 0.316 271 S C 1.300 175.840 174.600 -0.099 0.000 1.084 271 S CA -0.384 57.759 58.200 -0.095 0.000 1.107 271 S CB 0.337 63.416 63.200 -0.203 0.000 0.981 271 S HN 0.334 nan 8.310 nan 0.000 0.466 272 E N 3.405 123.541 120.200 -0.107 0.000 2.048 272 E HA -0.219 4.130 4.350 -0.002 0.000 0.202 272 E C 1.684 178.224 176.600 -0.099 0.000 1.021 272 E CA 2.288 58.641 56.400 -0.079 0.000 0.825 272 E CB -0.629 29.029 29.700 -0.070 0.000 0.756 272 E HN 0.913 nan 8.360 nan 0.000 0.454 273 E N -1.644 118.437 120.200 -0.198 0.000 2.070 273 E HA -0.219 4.130 4.350 -0.002 0.000 0.197 273 E C 2.024 178.579 176.600 -0.077 0.000 1.004 273 E CA 1.769 58.046 56.400 -0.205 0.000 0.805 273 E CB -0.275 29.207 29.700 -0.364 0.000 0.744 273 E HN 0.604 nan 8.360 nan 0.000 0.451 274 Y N -0.561 119.727 120.300 -0.020 0.000 2.519 274 Y HA 0.165 4.714 4.550 -0.002 0.000 0.287 274 Y C 2.039 177.930 175.900 -0.016 0.000 1.128 274 Y CA 0.405 58.487 58.100 -0.030 0.000 1.282 274 Y CB -0.719 37.721 38.460 -0.035 0.000 1.027 274 Y HN 0.120 nan 8.280 nan 0.000 0.551 275 A N 0.536 123.421 122.820 0.108 0.000 1.929 275 A HA -0.155 4.164 4.320 -0.002 0.000 0.216 275 A C 2.189 179.803 177.584 0.051 0.000 1.176 275 A CA 1.269 53.346 52.037 0.066 0.000 0.628 275 A CB -0.399 18.621 19.000 0.035 0.000 0.816 275 A HN 0.360 nan 8.150 nan 0.000 0.444 276 K N -0.227 120.199 120.400 0.042 0.000 2.209 276 K HA -0.027 4.291 4.320 -0.002 0.000 0.204 276 K C 1.589 178.214 176.600 0.041 0.000 1.048 276 K CA 1.318 57.624 56.287 0.033 0.000 0.940 276 K CB -0.347 32.166 32.500 0.020 0.000 0.729 276 K HN 0.545 nan 8.250 nan 0.000 0.451 277 I N 0.694 121.302 120.570 0.064 0.000 2.315 277 I HA -0.131 4.038 4.170 -0.002 0.000 0.248 277 I C 1.045 177.183 176.117 0.035 0.000 1.117 277 I CA 0.723 62.051 61.300 0.047 0.000 1.404 277 I CB -0.684 37.344 38.000 0.047 0.000 1.071 277 I HN 0.316 nan 8.210 nan 0.000 0.419 278 G N 0.716 109.542 108.800 0.044 0.000 2.733 278 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.686 278 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.686 278 G C 0.104 175.026 174.900 0.037 0.000 1.373 278 G CA -0.579 44.543 45.100 0.036 0.000 0.838 278 G HN 0.042 nan 8.290 nan 0.000 0.588 279 I N 0.459 121.052 120.570 0.038 0.000 3.059 279 I HA 0.198 4.367 4.170 -0.002 0.000 0.270 279 I C 1.165 177.308 176.117 0.043 0.000 1.238 279 I CA 1.608 62.934 61.300 0.043 0.000 1.478 279 I CB -0.531 37.495 38.000 0.044 0.000 1.097 279 I HN 0.704 nan 8.210 nan 0.000 0.455 280 E N 0.738 120.959 120.200 0.036 0.000 2.380 280 E HA 0.529 4.878 4.350 -0.002 0.000 0.281 280 E C -1.014 175.603 176.600 0.029 0.000 0.999 280 E CA -0.404 56.018 56.400 0.037 0.000 0.800 280 E CB 1.872 31.596 29.700 0.040 0.000 1.228 280 E HN -0.010 nan 8.360 nan 0.000 0.436 281 K N 2.271 122.687 120.400 0.027 0.000 2.601 281 K HA 0.474 4.793 4.320 -0.002 0.000 0.249 281 K C -0.733 175.880 176.600 0.021 0.000 0.966 281 K CA -0.032 56.268 56.287 0.021 0.000 0.827 281 K CB 0.978 33.488 32.500 0.017 0.000 1.178 281 K HN 0.631 nan 8.250 nan 0.000 0.437 282 D N 1.509 121.921 120.400 0.020 0.000 2.739 282 D HA -0.143 4.495 4.640 -0.002 0.000 0.240 282 D C 1.096 177.410 176.300 0.024 0.000 1.114 282 D CA 2.761 56.772 54.000 0.019 0.000 0.695 282 D CB -1.492 39.317 40.800 0.015 0.000 1.078 282 D HN 2.019 nan 8.370 nan 0.000 0.434 283 G N -0.632 108.185 108.800 0.029 0.000 2.196 283 G HA2 -0.412 3.547 3.960 -0.002 0.000 0.268 283 G HA3 -0.412 3.547 3.960 -0.002 0.000 0.268 283 G C 0.380 175.308 174.900 0.046 0.000 0.975 283 G CA 0.811 45.933 45.100 0.037 0.000 0.648 283 G HN 0.585 nan 8.290 nan 0.000 0.538 284 K N 0.613 121.038 120.400 0.041 0.000 2.240 284 K HA 0.445 4.763 4.320 -0.002 0.000 0.271 284 K C 0.427 177.061 176.600 0.057 0.000 1.018 284 K CA -0.826 55.489 56.287 0.046 0.000 0.874 284 K CB 0.618 33.136 32.500 0.030 0.000 1.098 284 K HN 0.274 nan 8.250 nan 0.000 0.458 285 R N 4.510 125.060 120.500 0.083 0.000 2.389 285 R HA 0.112 4.451 4.340 -0.002 0.000 0.295 285 R C 0.921 177.264 176.300 0.071 0.000 1.075 285 R CA 0.058 56.214 56.100 0.093 0.000 1.005 285 R CB 0.513 30.904 30.300 0.150 0.000 0.987 285 R HN 0.685 nan 8.270 nan 0.000 0.452 286 L N 2.974 124.229 121.223 0.053 0.000 2.357 286 L HA 0.108 4.446 4.340 -0.002 0.000 0.211 286 L C 0.443 177.321 176.870 0.013 0.000 1.075 286 L CA 0.440 55.295 54.840 0.026 0.000 0.830 286 L CB 0.031 42.098 42.059 0.013 0.000 0.996 286 L HN 0.686 nan 8.230 nan 0.000 0.467 287 Q N -1.800 118.019 119.800 0.032 0.000 2.565 287 Q HA 0.359 4.698 4.340 -0.002 0.000 0.294 287 Q C 0.445 176.494 176.000 0.083 0.000 1.005 287 Q CA -0.722 55.097 55.803 0.026 0.000 0.771 287 Q CB 1.971 30.691 28.738 -0.030 0.000 1.486 287 Q HN -0.117 nan 8.270 nan 0.000 0.422 288 I N 0.176 120.807 120.570 0.102 0.000 2.286 288 I HA -0.146 4.022 4.170 -0.002 0.000 0.245 288 I C 0.400 176.597 176.117 0.133 0.000 1.104 288 I CA 1.592 62.990 61.300 0.164 0.000 1.397 288 I CB -0.284 37.826 38.000 0.184 0.000 1.072 288 I HN 0.764 nan 8.210 nan 0.000 0.417 289 N N -1.636 117.122 118.700 0.096 0.000 3.364 289 N HA 0.106 4.845 4.740 -0.002 0.000 0.294 289 N C -0.197 175.358 175.510 0.075 0.000 1.562 289 N CA -0.194 52.904 53.050 0.081 0.000 0.862 289 N CB 0.807 39.342 38.487 0.080 0.000 1.691 289 N HN -0.164 nan 8.380 nan 0.000 0.572 290 S N -1.610 114.143 115.700 0.089 0.000 2.651 290 S HA 0.366 4.835 4.470 -0.002 0.000 0.246 290 S C -0.684 174.020 174.600 0.172 0.000 1.039 290 S CA -0.740 57.541 58.200 0.135 0.000 1.013 290 S CB -1.071 62.197 63.200 0.113 0.000 0.861 290 S HN 0.465 nan 8.310 nan 0.000 0.485 291 N N 1.038 119.826 118.700 0.146 0.000 2.434 291 N HA 0.272 5.011 4.740 -0.002 0.000 0.266 291 N C 1.518 177.169 175.510 0.234 0.000 1.223 291 N CA -0.480 52.655 53.050 0.142 0.000 0.972 291 N CB 0.921 39.459 38.487 0.086 0.000 1.207 291 N HN 0.005 nan 8.380 nan 0.000 0.525 292 V N 0.086 120.112 119.914 0.186 0.000 2.392 292 V HA -0.135 3.984 4.120 -0.002 0.000 0.249 292 V C 0.932 177.179 176.094 0.255 0.000 1.059 292 V CA 1.481 63.928 62.300 0.244 0.000 1.051 292 V CB -0.453 31.446 31.823 0.127 0.000 0.658 292 V HN 0.414 nan 8.190 nan 0.000 0.455 293 L N -0.499 120.815 121.223 0.153 0.000 2.356 293 L HA 0.349 4.687 4.340 -0.002 0.000 0.277 293 L C 0.857 177.789 176.870 0.104 0.000 0.996 293 L CA -0.316 54.595 54.840 0.118 0.000 0.822 293 L CB 1.880 43.976 42.059 0.062 0.000 1.256 293 L HN 0.027 nan 8.230 nan 0.000 0.413 294 Q N 2.829 122.703 119.800 0.123 0.000 2.046 294 Q HA 0.007 4.345 4.340 -0.002 0.000 0.200 294 Q C 0.369 176.409 176.000 0.068 0.000 0.975 294 Q CA 1.441 57.314 55.803 0.116 0.000 0.836 294 Q CB 0.265 29.114 28.738 0.185 0.000 0.896 294 Q HN 0.681 nan 8.270 nan 0.000 0.428 295 I N -4.547 116.023 120.570 0.000 0.000 3.322 295 I HA 0.256 4.425 4.170 -0.002 0.000 0.313 295 I C 0.226 176.311 176.117 -0.054 0.000 1.129 295 I CA -0.946 60.316 61.300 -0.063 0.000 0.963 295 I CB 1.466 39.348 38.000 -0.197 0.000 1.273 295 I HN -0.161 nan 8.210 nan 0.000 0.473 296 E N 0.615 120.785 120.200 -0.051 0.000 2.204 296 E HA -0.116 4.233 4.350 -0.002 0.000 0.194 296 E C 0.958 177.548 176.600 -0.015 0.000 0.989 296 E CA 1.106 57.488 56.400 -0.030 0.000 0.824 296 E CB -0.184 29.499 29.700 -0.028 0.000 0.756 296 E HN 0.532 nan 8.360 nan 0.000 0.477 297 N N 1.135 119.811 118.700 -0.042 0.000 2.550 297 N HA -0.120 4.618 4.740 -0.002 0.000 0.186 297 N C 1.296 176.843 175.510 0.063 0.000 1.110 297 N CA 0.526 53.585 53.050 0.014 0.000 0.912 297 N CB 0.082 38.569 38.487 0.000 0.000 0.968 297 N HN 0.293 nan 8.380 nan 0.000 0.448 298 E N 0.017 120.245 120.200 0.047 0.000 2.427 298 E HA -0.064 4.284 4.350 -0.002 0.000 0.196 298 E C -0.052 176.380 176.600 -0.281 0.000 1.028 298 E CA -0.133 56.257 56.400 -0.016 0.000 0.864 298 E CB 0.103 29.883 29.700 0.133 0.000 0.813 298 E HN 0.082 nan 8.360 nan 0.000 0.514 299 L N 2.241 123.396 121.223 -0.113 0.000 2.369 299 L HA 0.105 4.444 4.340 -0.002 0.000 0.279 299 L C -1.089 175.769 176.870 -0.020 0.000 1.108 299 L CA -0.071 54.732 54.840 -0.061 0.000 0.852 299 L CB -0.035 42.054 42.059 0.050 0.000 1.169 299 L HN -0.046 nan 8.230 nan 0.000 0.452 300 Y N 4.487 124.851 120.300 0.105 0.000 2.359 300 Y HA 0.575 5.124 4.550 -0.002 0.000 0.330 300 Y C 0.600 176.577 175.900 0.128 0.000 1.143 300 Y CA 0.023 58.182 58.100 0.098 0.000 1.318 300 Y CB 0.959 39.429 38.460 0.017 0.000 1.234 300 Y HN 0.751 nan 8.280 nan 0.000 0.522 301 A N 4.584 127.583 122.820 0.299 0.000 2.577 301 A HA 0.471 4.790 4.320 -0.002 0.000 0.297 301 A C -2.368 175.246 177.584 0.051 0.000 1.060 301 A CA -1.284 50.862 52.037 0.182 0.000 0.697 301 A CB 1.298 20.421 19.000 0.205 0.000 1.281 301 A HN 0.416 nan 8.150 nan 0.000 0.402 302 P HA 0.094 nan 4.420 nan 0.000 0.223 302 P C 0.350 177.536 177.300 -0.190 0.000 1.151 302 P CA 1.065 64.097 63.100 -0.114 0.000 0.787 302 P CB 0.375 31.873 31.700 -0.337 0.000 0.788 303 I N -2.209 118.171 120.570 -0.317 0.000 2.918 303 I HA 0.483 4.652 4.170 -0.002 0.000 0.301 303 I C -1.486 174.486 176.117 -0.241 0.000 1.312 303 I CA -1.320 59.715 61.300 -0.441 0.000 1.007 303 I CB 2.859 40.342 38.000 -0.863 0.000 1.281 303 I HN -0.371 nan 8.210 nan 0.000 0.440 304 R N 6.571 126.935 120.500 -0.227 0.000 2.564 304 R HA 0.556 4.895 4.340 -0.002 0.000 0.284 304 R C -2.841 173.310 176.300 -0.248 0.000 1.031 304 R CA -1.738 54.276 56.100 -0.142 0.000 0.904 304 R CB 2.529 32.773 30.300 -0.094 0.000 1.199 304 R HN 0.292 nan 8.270 nan 0.000 0.443 305 P HA 0.168 nan 4.420 nan 0.000 0.276 305 P C -1.283 175.778 177.300 -0.397 0.000 1.230 305 P CA -0.213 62.635 63.100 -0.420 0.000 0.776 305 P CB 1.015 32.393 31.700 -0.537 0.000 0.888 306 K N 2.669 122.699 120.400 -0.617 0.000 2.477 306 K HA 0.564 4.883 4.320 -0.002 0.000 0.255 306 K C -0.396 175.829 176.600 -0.625 0.000 0.952 306 K CA -0.764 55.097 56.287 -0.709 0.000 0.826 306 K CB 3.291 35.010 32.500 -1.301 0.000 1.331 306 K HN 0.517 nan 8.250 nan 0.000 0.437 307 R N 0.695 121.011 120.500 -0.307 0.000 2.604 307 R HA 0.332 4.671 4.340 -0.002 0.000 0.281 307 R C -1.021 175.306 176.300 0.044 0.000 1.020 307 R CA -0.634 55.411 56.100 -0.091 0.000 0.899 307 R CB 1.540 31.805 30.300 -0.058 0.000 1.205 307 R HN 0.320 nan 8.270 nan 0.000 0.450 308 V N 4.106 124.121 119.914 0.169 0.000 2.493 308 V HA 0.030 4.149 4.120 -0.002 0.000 0.292 308 V C 0.804 176.938 176.094 0.066 0.000 1.016 308 V CA 0.435 62.817 62.300 0.137 0.000 1.097 308 V CB 0.591 32.482 31.823 0.113 0.000 0.947 308 V HN 0.933 nan 8.190 nan 0.000 0.479 309 T N 4.666 119.253 114.554 0.054 0.000 2.849 309 T HA 0.547 4.896 4.350 -0.002 0.000 0.284 309 T C 0.076 174.795 174.700 0.032 0.000 1.004 309 T CA -0.714 61.407 62.100 0.035 0.000 1.021 309 T CB 1.156 70.043 68.868 0.033 0.000 1.013 309 T HN 0.614 nan 8.240 nan 0.000 0.527 314 S N 2.684 118.385 115.700 0.002 0.000 2.672 314 S HA 0.497 4.965 4.470 -0.002 0.000 0.276 314 S C -1.998 172.601 174.600 -0.002 0.000 1.207 314 S CA -1.057 57.145 58.200 0.003 0.000 1.002 314 S CB 1.539 64.732 63.200 -0.012 0.000 0.998 314 S HN 0.321 nan 8.310 nan 0.000 0.542 315 P HA -0.097 nan 4.420 nan 0.000 0.216 315 P C 1.761 179.062 177.300 0.003 0.000 1.153 315 P CA 1.711 64.813 63.100 0.004 0.000 0.848 315 P CB -0.226 31.483 31.700 0.014 0.000 0.787 316 S N -1.040 114.655 115.700 -0.008 0.000 2.383 316 S HA -0.154 4.314 4.470 -0.002 0.000 0.227 316 S C 1.676 176.249 174.600 -0.046 0.000 1.026 316 S CA 1.290 59.477 58.200 -0.022 0.000 0.981 316 S CB -1.429 61.728 63.200 -0.073 0.000 0.818 316 S HN 0.019 nan 8.310 nan 0.000 0.472 317 D N 2.851 123.224 120.400 -0.046 0.000 2.116 317 D HA -0.042 4.596 4.640 -0.002 0.000 0.193 317 D C 2.278 178.557 176.300 -0.034 0.000 0.998 317 D CA 1.671 55.643 54.000 -0.047 0.000 0.836 317 D CB -0.821 39.957 40.800 -0.037 0.000 0.951 317 D HN 0.554 nan 8.370 nan 0.000 0.449 318 A N 0.348 123.155 122.820 -0.021 0.000 1.940 318 A HA -0.137 4.182 4.320 -0.002 0.000 0.219 318 A C 2.380 179.951 177.584 -0.022 0.000 1.176 318 A CA 0.994 53.022 52.037 -0.015 0.000 0.631 318 A CB -0.678 18.318 19.000 -0.007 0.000 0.814 318 A HN 0.227 nan 8.150 nan 0.000 0.446 319 L N -0.930 120.279 121.223 -0.023 0.000 2.044 319 L HA -0.115 4.224 4.340 -0.002 0.000 0.205 319 L C 2.570 179.424 176.870 -0.027 0.000 1.075 319 L CA 0.837 55.667 54.840 -0.017 0.000 0.747 319 L CB -0.550 41.529 42.059 0.033 0.000 0.903 319 L HN 0.363 nan 8.230 nan 0.000 0.435 320 L N -0.141 121.038 121.223 -0.074 0.000 2.013 320 L HA -0.277 4.062 4.340 -0.002 0.000 0.212 320 L C 2.885 179.729 176.870 -0.044 0.000 1.073 320 L CA 1.574 56.334 54.840 -0.132 0.000 0.753 320 L CB -0.551 41.389 42.059 -0.199 0.000 0.890 320 L HN 0.319 nan 8.230 nan 0.000 0.432 321 R N -0.006 120.477 120.500 -0.028 0.000 2.081 321 R HA -0.135 4.204 4.340 -0.002 0.000 0.235 321 R C 1.811 178.115 176.300 0.007 0.000 1.131 321 R CA 1.757 57.855 56.100 -0.004 0.000 0.960 321 R CB -0.272 30.024 30.300 -0.005 0.000 0.856 321 R HN 0.368 nan 8.270 nan 0.000 0.436 322 G N -1.326 107.475 108.800 0.001 0.000 3.104 322 G HA2 0.398 4.357 3.960 -0.002 0.000 0.237 322 G HA3 0.398 4.357 3.960 -0.002 0.000 0.237 322 G C 0.189 175.088 174.900 -0.001 0.000 1.035 322 G CA 0.192 45.294 45.100 0.003 0.000 0.844 322 G HN 0.727 nan 8.290 nan 0.000 0.531 323 G N 0.212 109.012 108.800 0.000 0.000 2.828 323 G HA2 -0.196 3.762 3.960 -0.002 0.000 0.463 323 G HA3 -0.196 3.762 3.960 -0.002 0.000 0.463 323 G C -0.134 174.738 174.900 -0.048 0.000 1.394 323 G CA -0.428 44.671 45.100 -0.001 0.000 0.862 323 G HN 0.588 nan 8.290 nan 0.000 0.540 324 I N 1.061 121.582 120.570 -0.081 0.000 2.517 324 I HA 0.136 4.305 4.170 -0.002 0.000 0.285 324 I C 1.535 177.568 176.117 -0.139 0.000 1.106 324 I CA 0.449 61.635 61.300 -0.190 0.000 1.402 324 I CB 1.251 39.083 38.000 -0.281 0.000 1.399 324 I HN 0.837 nan 8.210 nan 0.000 0.535 325 E N 6.730 126.814 120.200 -0.193 0.000 2.166 325 E HA -0.044 4.305 4.350 -0.002 0.000 0.192 325 E C -0.599 175.936 176.600 -0.108 0.000 0.967 325 E CA 0.559 56.928 56.400 -0.052 0.000 0.840 325 E CB 0.539 30.283 29.700 0.073 0.000 0.795 325 E HN 0.651 nan 8.360 nan 0.000 0.470 326 Y N -1.083 118.917 120.300 -0.500 0.000 2.725 326 Y HA 0.444 4.993 4.550 -0.002 0.000 0.333 326 Y C -1.181 174.356 175.900 -0.605 0.000 1.242 326 Y CA -1.866 55.866 58.100 -0.613 0.000 1.059 326 Y CB 0.516 38.792 38.460 -0.307 0.000 1.306 326 Y HN -0.113 nan 8.280 nan 0.000 0.454 327 I N -0.814 119.552 120.570 -0.341 0.000 2.693 327 I HA 0.668 4.836 4.170 -0.002 0.000 0.303 327 I C -0.785 175.299 176.117 -0.055 0.000 1.025 327 I CA -1.319 59.810 61.300 -0.285 0.000 1.086 327 I CB 2.166 40.053 38.000 -0.188 0.000 1.268 327 I HN 0.766 nan 8.210 nan 0.000 0.440 328 E N 3.499 123.620 120.200 -0.131 0.000 2.145 328 E HA 0.495 4.844 4.350 -0.002 0.000 0.262 328 E C -1.554 174.979 176.600 -0.111 0.000 0.883 328 E CA -0.771 55.606 56.400 -0.038 0.000 0.748 328 E CB 1.669 31.333 29.700 -0.060 0.000 1.140 328 E HN 0.633 nan 8.360 nan 0.000 0.417 329 V N 5.796 125.708 119.914 -0.003 0.000 2.455 329 V HA 0.178 4.297 4.120 -0.002 0.000 0.273 329 V C 1.015 177.155 176.094 0.076 0.000 1.045 329 V CA 0.162 62.460 62.300 -0.003 0.000 0.976 329 V CB 0.987 32.961 31.823 0.251 0.000 0.993 329 V HN 0.730 nan 8.190 nan 0.000 0.475 330 R N 2.008 122.511 120.500 0.004 0.000 2.437 330 R HA 0.156 4.494 4.340 -0.002 0.000 0.257 330 R C 1.600 178.046 176.300 0.243 0.000 0.927 330 R CA -0.009 56.095 56.100 0.008 0.000 1.078 330 R CB 0.441 30.608 30.300 -0.223 0.000 1.161 330 R HN 0.623 nan 8.270 nan 0.000 0.529 331 S N 0.836 116.729 115.700 0.321 0.000 2.562 331 S HA 0.153 4.621 4.470 -0.002 0.000 0.221 331 S C 0.642 175.447 174.600 0.343 0.000 0.975 331 S CA 0.175 58.603 58.200 0.381 0.000 0.918 331 S CB 0.120 63.671 63.200 0.584 0.000 0.772 331 S HN 0.218 nan 8.310 nan 0.000 0.531 332 L N 2.814 124.228 121.223 0.318 0.000 2.418 332 L HA 0.143 4.481 4.340 -0.002 0.000 0.274 332 L C -0.007 176.988 176.870 0.208 0.000 1.135 332 L CA -0.383 54.612 54.840 0.258 0.000 0.870 332 L CB 0.367 42.557 42.059 0.218 0.000 1.154 332 L HN 0.075 nan 8.230 nan 0.000 0.462 333 D N 2.919 123.436 120.400 0.195 0.000 2.360 333 D HA 0.188 4.827 4.640 -0.002 0.000 0.242 333 D C 0.390 176.760 176.300 0.116 0.000 1.184 333 D CA -0.271 53.818 54.000 0.148 0.000 0.930 333 D CB 0.873 41.763 40.800 0.150 0.000 1.161 333 D HN 0.126 nan 8.370 nan 0.000 0.447 334 I N 1.877 122.485 120.570 0.062 0.000 2.683 334 I HA -0.092 4.076 4.170 -0.002 0.000 0.286 334 I C 0.881 176.979 176.117 -0.032 0.000 1.175 334 I CA 0.005 61.313 61.300 0.013 0.000 1.429 334 I CB -0.605 37.384 38.000 -0.018 0.000 1.371 334 I HN 0.232 nan 8.210 nan 0.000 0.569 335 N N 10.109 128.783 118.700 -0.042 0.000 2.399 335 N HA 0.123 4.861 4.740 -0.002 0.000 0.259 335 N C -1.677 173.580 175.510 -0.421 0.000 1.160 335 N CA -1.837 51.136 53.050 -0.129 0.000 0.946 335 N CB 0.950 39.435 38.487 -0.004 0.000 1.156 335 N HN 0.288 nan 8.380 nan 0.000 0.489 336 P HA -0.032 nan 4.420 nan 0.000 0.230 336 P C 0.193 176.789 177.300 -1.174 0.000 1.158 336 P CA 0.852 63.275 63.100 -1.127 0.000 0.769 336 P CB -0.050 30.742 31.700 -1.513 0.000 0.807 337 F N -0.877 118.791 119.950 -0.469 0.000 2.664 337 F HA 0.282 4.807 4.527 -0.002 0.000 0.303 337 F C 1.191 176.914 175.800 -0.129 0.000 1.092 337 F CA -0.163 57.706 58.000 -0.218 0.000 1.305 337 F CB -0.038 38.770 39.000 -0.320 0.000 1.054 337 F HN -0.184 nan 8.300 nan 0.000 0.565 338 S N 1.027 116.619 115.700 -0.181 0.000 2.500 338 S HA 0.371 4.840 4.470 -0.002 0.000 0.301 338 S C -1.720 172.405 174.600 -0.793 0.000 1.092 338 S CA -1.689 56.306 58.200 -0.341 0.000 1.030 338 S CB 1.516 64.572 63.200 -0.240 0.000 1.031 338 S HN -0.185 nan 8.310 nan 0.000 0.483 339 P HA -0.034 nan 4.420 nan 0.000 0.220 339 P C 1.086 177.966 177.300 -0.699 0.000 1.148 339 P CA 0.990 63.302 63.100 -1.312 0.000 0.803 339 P CB -0.300 30.951 31.700 -0.749 0.000 0.782 340 I N -5.892 114.289 120.570 -0.649 0.000 3.928 340 I HA 0.504 4.672 4.170 -0.002 0.000 0.335 340 I C 1.174 177.088 176.117 -0.340 0.000 1.325 340 I CA 0.319 61.138 61.300 -0.802 0.000 1.107 340 I CB -0.636 36.860 38.000 -0.840 0.000 1.014 340 I HN 0.010 nan 8.210 nan 0.000 0.400 341 G N 1.177 109.823 108.800 -0.256 0.000 2.179 341 G HA2 -0.245 3.713 3.960 -0.002 0.000 0.260 341 G HA3 -0.245 3.713 3.960 -0.002 0.000 0.260 341 G C 0.019 174.874 174.900 -0.074 0.000 0.977 341 G CA 0.211 45.240 45.100 -0.118 0.000 0.641 341 G HN 0.710 nan 8.290 nan 0.000 0.533 342 V N 0.719 120.574 119.914 -0.098 0.000 3.077 342 V HA 0.667 4.786 4.120 -0.002 0.000 0.299 342 V C -1.569 174.477 176.094 -0.081 0.000 1.276 342 V CA 0.146 62.409 62.300 -0.061 0.000 0.993 342 V CB 2.314 34.127 31.823 -0.017 0.000 1.076 342 V HN 0.776 nan 8.190 nan 0.000 0.434 343 D N 1.930 122.287 120.400 -0.072 0.000 2.614 343 D HA 0.321 4.960 4.640 -0.002 0.000 0.264 343 D C 0.606 176.867 176.300 -0.065 0.000 1.092 343 D CA -0.043 53.921 54.000 -0.059 0.000 1.071 343 D CB 1.385 42.172 40.800 -0.022 0.000 1.443 343 D HN 0.558 nan 8.370 nan 0.000 0.528 344 E N -0.794 119.380 120.200 -0.043 0.000 2.153 344 E HA -0.261 4.088 4.350 -0.002 0.000 0.194 344 E C 1.592 178.169 176.600 -0.039 0.000 0.988 344 E CA 0.956 57.332 56.400 -0.040 0.000 0.811 344 E CB 0.134 29.812 29.700 -0.036 0.000 0.746 344 E HN 0.536 nan 8.360 nan 0.000 0.466 345 Q N 0.127 119.918 119.800 -0.016 0.000 2.050 345 Q HA -0.239 4.099 4.340 -0.002 0.000 0.202 345 Q C 2.181 178.194 176.000 0.021 0.000 0.980 345 Q CA 1.759 57.585 55.803 0.038 0.000 0.840 345 Q CB 0.057 28.852 28.738 0.096 0.000 0.898 345 Q HN 0.416 nan 8.270 nan 0.000 0.424 346 Q N -0.527 119.146 119.800 -0.212 0.000 2.050 346 Q HA -0.155 4.183 4.340 -0.002 0.000 0.202 346 Q C 2.230 178.114 176.000 -0.194 0.000 0.980 346 Q CA 1.840 57.367 55.803 -0.461 0.000 0.840 346 Q CB -0.089 28.204 28.738 -0.743 0.000 0.898 346 Q HN 0.237 nan 8.270 nan 0.000 0.424 347 V N 1.288 121.080 119.914 -0.203 0.000 2.282 347 V HA -0.320 3.799 4.120 -0.002 0.000 0.249 347 V C 2.223 178.276 176.094 -0.067 0.000 1.057 347 V CA 2.122 64.280 62.300 -0.237 0.000 1.032 347 V CB -0.615 31.167 31.823 -0.069 0.000 0.645 347 V HN 0.330 nan 8.190 nan 0.000 0.447 348 R N -0.962 119.558 120.500 0.033 0.000 2.092 348 R HA -0.146 4.193 4.340 -0.002 0.000 0.231 348 R C 2.260 178.725 176.300 0.275 0.000 1.119 348 R CA 1.809 58.005 56.100 0.159 0.000 0.970 348 R CB -0.563 29.695 30.300 -0.071 0.000 0.864 348 R HN 0.550 nan 8.270 nan 0.000 0.440 349 F N 1.812 121.841 119.950 0.132 0.000 2.102 349 F HA -0.147 4.378 4.527 -0.002 0.000 0.298 349 F C 1.871 177.749 175.800 0.130 0.000 1.105 349 F CA 1.372 59.477 58.000 0.175 0.000 1.239 349 F CB -0.270 38.897 39.000 0.278 0.000 0.991 349 F HN -0.120 nan 8.300 nan 0.000 0.474 350 L N 0.020 121.181 121.223 -0.103 0.000 2.083 350 L HA -0.234 4.104 4.340 -0.002 0.000 0.209 350 L C 2.204 178.969 176.870 -0.177 0.000 1.083 350 L CA 1.437 56.157 54.840 -0.200 0.000 0.752 350 L CB -0.913 40.940 42.059 -0.344 0.000 0.899 350 L HN 0.097 nan 8.230 nan 0.000 0.433 351 D N 0.286 120.680 120.400 -0.011 0.000 2.103 351 D HA -0.210 4.428 4.640 -0.002 0.000 0.190 351 D C 2.342 178.570 176.300 -0.120 0.000 0.997 351 D CA 1.367 55.412 54.000 0.074 0.000 0.833 351 D CB -0.361 40.641 40.800 0.337 0.000 0.961 351 D HN 0.211 nan 8.370 nan 0.000 0.447 352 L N -0.508 120.648 121.223 -0.110 0.000 2.012 352 L HA -0.188 4.151 4.340 -0.002 0.000 0.210 352 L C 2.402 179.151 176.870 -0.202 0.000 1.073 352 L CA 0.991 55.735 54.840 -0.161 0.000 0.748 352 L CB -0.444 41.542 42.059 -0.122 0.000 0.891 352 L HN 0.015 nan 8.230 nan 0.000 0.431 353 F N -0.051 119.562 119.950 -0.562 0.000 2.206 353 F HA -0.186 4.340 4.527 -0.002 0.000 0.298 353 F C 2.447 178.129 175.800 -0.197 0.000 1.090 353 F CA 1.245 58.951 58.000 -0.490 0.000 1.323 353 F CB -0.093 38.399 39.000 -0.847 0.000 1.028 353 F HN -0.040 nan 8.300 nan 0.000 0.492 354 M N -0.133 119.200 119.600 -0.445 0.000 2.086 354 M HA -0.132 4.347 4.480 -0.002 0.000 0.261 354 M C 2.348 178.411 176.300 -0.394 0.000 1.067 354 M CA 1.186 56.142 55.300 -0.573 0.000 1.116 354 M CB -1.586 30.311 32.600 -1.171 0.000 1.348 354 M HN 0.021 nan 8.290 nan 0.000 0.407 355 V N -1.196 118.537 119.914 -0.301 0.000 2.332 355 V HA -0.292 3.827 4.120 -0.002 0.000 0.248 355 V C 2.113 178.143 176.094 -0.108 0.000 1.055 355 V CA 1.925 64.129 62.300 -0.159 0.000 1.038 355 V CB -0.868 30.904 31.823 -0.086 0.000 0.651 355 V HN 0.626 nan 8.190 nan 0.000 0.450 356 W N 0.079 121.217 121.300 -0.270 0.000 2.338 356 W HA -0.236 4.423 4.660 -0.002 0.000 0.304 356 W C 2.553 178.920 176.519 -0.254 0.000 1.212 356 W CA 1.882 59.085 57.345 -0.237 0.000 1.264 356 W CB -0.544 28.762 29.460 -0.256 0.000 1.142 356 W HN 0.234 nan 8.180 nan 0.000 0.512 357 C N 0.439 119.624 119.300 -0.191 0.000 2.419 357 C HA -0.076 4.383 4.460 -0.002 0.000 0.281 357 C C 2.886 177.740 174.990 -0.225 0.000 1.336 357 C CA 1.449 60.312 59.018 -0.259 0.000 1.770 357 C CB -1.833 25.759 27.740 -0.246 0.000 1.929 357 C HN 0.470 nan 8.230 nan 0.000 0.509 358 A N -0.594 122.111 122.820 -0.191 0.000 2.123 358 A HA 0.171 4.489 4.320 -0.002 0.000 0.214 358 A C 1.951 179.474 177.584 -0.101 0.000 1.152 358 A CA 0.932 52.903 52.037 -0.110 0.000 0.728 358 A CB -0.227 18.652 19.000 -0.202 0.000 0.814 358 A HN 0.620 nan 8.150 nan 0.000 0.464 359 L N -1.238 119.847 121.223 -0.230 0.000 2.425 359 L HA 0.260 4.599 4.340 -0.002 0.000 0.215 359 L C 1.427 178.076 176.870 -0.368 0.000 1.065 359 L CA 0.236 54.938 54.840 -0.229 0.000 0.842 359 L CB -0.204 41.747 42.059 -0.180 0.000 1.033 359 L HN 0.301 nan 8.230 nan 0.000 0.474 360 A N 0.468 122.908 122.820 -0.633 0.000 2.440 360 A HA 0.148 4.467 4.320 -0.002 0.000 0.251 360 A C -0.522 176.880 177.584 -0.303 0.000 1.089 360 A CA -0.452 51.217 52.037 -0.613 0.000 0.779 360 A CB -0.024 18.305 19.000 -1.117 0.000 1.022 360 A HN 0.112 nan 8.150 nan 0.000 0.492 361 D N 1.025 121.314 120.400 -0.185 0.000 2.455 361 D HA 0.392 5.031 4.640 -0.002 0.000 0.241 361 D C 0.086 176.372 176.300 -0.024 0.000 1.138 361 D CA 1.185 55.135 54.000 -0.084 0.000 0.877 361 D CB 1.032 41.800 40.800 -0.052 0.000 1.187 361 D HN 0.643 nan 8.370 nan 0.000 0.451 362 A N 3.587 126.415 122.820 0.013 0.000 2.410 362 A HA 0.528 4.847 4.320 -0.002 0.000 0.289 362 A C -2.441 175.181 177.584 0.062 0.000 1.200 362 A CA -1.324 50.753 52.037 0.066 0.000 0.751 362 A CB 0.872 19.928 19.000 0.093 0.000 1.161 362 A HN 0.246 nan 8.150 nan 0.000 0.459 363 P HA 0.127 nan 4.420 nan 0.000 0.270 363 P C 0.007 177.341 177.300 0.056 0.000 1.227 363 P CA 0.039 63.169 63.100 0.049 0.000 0.788 363 P CB 0.503 32.233 31.700 0.050 0.000 0.926 364 E N 0.477 120.700 120.200 0.040 0.000 2.392 364 E HA 0.293 4.642 4.350 -0.002 0.000 0.259 364 E C -0.222 176.401 176.600 0.039 0.000 1.108 364 E CA 0.108 56.530 56.400 0.036 0.000 0.916 364 E CB 0.342 30.047 29.700 0.009 0.000 0.989 364 E HN 0.364 nan 8.360 nan 0.000 0.432 365 M N 1.524 121.149 119.600 0.041 0.000 2.326 365 M HA 0.180 4.659 4.480 -0.002 0.000 0.292 365 M C -0.308 176.004 176.300 0.020 0.000 1.081 365 M CA -0.621 54.703 55.300 0.040 0.000 0.919 365 M CB 2.178 34.814 32.600 0.060 0.000 1.634 365 M HN 0.571 nan 8.290 nan 0.000 0.451 366 S N 0.713 116.422 115.700 0.014 0.000 2.626 366 S HA 0.197 4.666 4.470 -0.002 0.000 0.257 366 S C 1.157 175.758 174.600 0.002 0.000 1.288 366 S CA -0.023 58.177 58.200 0.000 0.000 0.980 366 S CB 0.738 63.940 63.200 0.003 0.000 0.975 366 S HN 0.805 nan 8.310 nan 0.000 0.577 367 S N -0.189 115.507 115.700 -0.007 0.000 2.470 367 S HA -0.070 4.399 4.470 -0.002 0.000 0.225 367 S C 1.824 176.433 174.600 0.016 0.000 1.006 367 S CA 0.648 58.846 58.200 -0.004 0.000 0.934 367 S CB -0.958 62.232 63.200 -0.017 0.000 0.778 367 S HN 0.969 nan 8.310 nan 0.000 0.517 368 S N 1.376 117.087 115.700 0.018 0.000 2.470 368 S HA 0.094 4.562 4.470 -0.002 0.000 0.225 368 S C 1.596 176.219 174.600 0.039 0.000 1.006 368 S CA 0.404 58.622 58.200 0.029 0.000 0.934 368 S CB -0.434 62.781 63.200 0.025 0.000 0.778 368 S HN 0.627 nan 8.310 nan 0.000 0.517 369 E N 1.098 121.320 120.200 0.036 0.000 2.152 369 E HA 0.081 4.430 4.350 -0.002 0.000 0.192 369 E C 1.887 178.520 176.600 0.055 0.000 0.983 369 E CA 0.888 57.316 56.400 0.047 0.000 0.818 369 E CB -0.274 29.451 29.700 0.043 0.000 0.758 369 E HN 0.495 nan 8.360 nan 0.000 0.467 370 L N 0.541 121.787 121.223 0.038 0.000 2.056 370 L HA -0.140 4.199 4.340 -0.002 0.000 0.207 370 L C 2.537 179.445 176.870 0.064 0.000 1.078 370 L CA 1.007 55.858 54.840 0.018 0.000 0.749 370 L CB -0.360 41.674 42.059 -0.042 0.000 0.901 370 L HN 0.134 nan 8.230 nan 0.000 0.433 371 A N -1.193 121.666 122.820 0.064 0.000 1.972 371 A HA -0.224 4.095 4.320 -0.002 0.000 0.219 371 A C 2.357 180.001 177.584 0.100 0.000 1.169 371 A CA 1.710 53.796 52.037 0.081 0.000 0.635 371 A CB -1.128 17.910 19.000 0.064 0.000 0.810 371 A HN 0.540 nan 8.150 nan 0.000 0.446 372 c N -0.320 118.336 118.600 0.094 0.000 2.432 372 c HA -0.062 4.507 4.570 -0.002 0.000 0.280 372 c C 3.152 177.326 174.090 0.141 0.000 1.353 372 c CA 1.520 57.910 56.329 0.101 0.000 1.766 372 c CB -1.356 41.203 42.510 0.082 0.000 1.924 372 c HN 0.816 nan 8.230 nan 0.000 0.509 373 T N -0.698 113.960 114.554 0.175 0.000 2.977 373 T HA -0.200 4.149 4.350 -0.002 0.000 0.271 373 T C 1.745 176.684 174.700 0.397 0.000 1.105 373 T CA 1.383 63.644 62.100 0.268 0.000 1.116 373 T CB -0.346 68.716 68.868 0.322 0.000 0.878 373 T HN 0.432 nan 8.240 nan 0.000 0.509 374 R N 1.025 121.699 120.500 0.291 0.000 2.189 374 R HA 0.175 4.513 4.340 -0.002 0.000 0.218 374 R C 2.069 178.539 176.300 0.283 0.000 1.074 374 R CA 0.699 56.973 56.100 0.289 0.000 0.991 374 R CB -1.114 29.285 30.300 0.164 0.000 0.883 374 R HN 0.387 nan 8.270 nan 0.000 0.457 375 V N 1.228 121.260 119.914 0.196 0.000 2.287 375 V HA -0.269 3.849 4.120 -0.002 0.000 0.248 375 V C 1.685 177.830 176.094 0.085 0.000 1.053 375 V CA 2.149 64.522 62.300 0.122 0.000 1.027 375 V CB -0.616 31.257 31.823 0.082 0.000 0.646 375 V HN 0.372 nan 8.190 nan 0.000 0.447 376 N N -1.076 117.660 118.700 0.059 0.000 2.188 376 N HA -0.148 4.590 4.740 -0.002 0.000 0.184 376 N C 1.495 176.923 175.510 -0.136 0.000 1.018 376 N CA 1.334 54.281 53.050 -0.173 0.000 0.858 376 N CB -0.420 37.845 38.487 -0.369 0.000 0.989 376 N HN 0.593 nan 8.380 nan 0.000 0.426 377 W N 2.095 123.411 121.300 0.027 0.000 2.317 377 W HA -0.093 4.566 4.660 -0.002 0.000 0.318 377 W C 2.159 178.722 176.519 0.072 0.000 1.227 377 W CA 0.907 58.328 57.345 0.125 0.000 1.269 377 W CB -0.639 28.922 29.460 0.167 0.000 1.155 377 W HN 0.103 nan 8.180 nan 0.000 0.484 378 N N -0.091 118.785 118.700 0.293 0.000 2.120 378 N HA -0.132 4.607 4.740 -0.002 0.000 0.188 378 N C 1.660 177.228 175.510 0.096 0.000 1.024 378 N CA 1.421 54.577 53.050 0.177 0.000 0.852 378 N CB -0.685 37.881 38.487 0.132 0.000 1.003 378 N HN 0.222 nan 8.380 nan 0.000 0.424 379 R N 0.353 120.876 120.500 0.037 0.000 2.096 379 R HA -0.068 4.271 4.340 -0.002 0.000 0.240 379 R C 2.142 178.434 176.300 -0.012 0.000 1.139 379 R CA 1.179 57.267 56.100 -0.021 0.000 0.952 379 R CB -0.437 29.803 30.300 -0.101 0.000 0.854 379 R HN 0.044 nan 8.270 nan 0.000 0.436 380 V N 0.965 120.859 119.914 -0.032 0.000 2.453 380 V HA -0.193 3.926 4.120 -0.002 0.000 0.247 380 V C 2.185 178.350 176.094 0.119 0.000 1.048 380 V CA 1.518 63.833 62.300 0.024 0.000 1.049 380 V CB -0.338 31.490 31.823 0.008 0.000 0.672 380 V HN 0.297 nan 8.190 nan 0.000 0.457 381 I N -0.511 120.149 120.570 0.150 0.000 2.226 381 I HA -0.239 3.929 4.170 -0.002 0.000 0.245 381 I C 2.119 178.315 176.117 0.133 0.000 1.100 381 I CA 1.738 63.141 61.300 0.173 0.000 1.374 381 I CB -0.127 38.002 38.000 0.216 0.000 1.057 381 I HN 0.262 nan 8.210 nan 0.000 0.413 382 L N -0.355 120.930 121.223 0.103 0.000 2.408 382 L HA 0.030 4.369 4.340 -0.002 0.000 0.215 382 L C 0.698 177.625 176.870 0.095 0.000 1.081 382 L CA 0.547 55.432 54.840 0.074 0.000 0.840 382 L CB 0.050 42.126 42.059 0.027 0.000 1.002 382 L HN 0.288 nan 8.230 nan 0.000 0.468 383 E N -1.338 118.926 120.200 0.106 0.000 3.625 383 E HA 0.158 4.507 4.350 -0.002 0.000 0.166 383 E C 1.083 177.752 176.600 0.114 0.000 0.978 383 E CA 0.194 56.686 56.400 0.154 0.000 1.429 383 E CB -0.105 29.666 29.700 0.119 0.000 1.100 383 E HN 0.081 nan 8.360 nan 0.000 0.428 384 G N 1.496 110.375 108.800 0.132 0.000 2.462 384 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.220 384 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.220 384 G C 1.517 176.550 174.900 0.220 0.000 1.121 384 G CA 0.297 45.494 45.100 0.162 0.000 0.758 384 G HN 0.138 nan 8.290 nan 0.000 0.559 385 R N -0.164 120.447 120.500 0.185 0.000 2.317 385 R HA 0.160 4.499 4.340 -0.002 0.000 0.208 385 R C 0.785 177.039 176.300 -0.076 0.000 0.914 385 R CA -0.261 55.931 56.100 0.153 0.000 1.060 385 R CB 0.196 30.598 30.300 0.170 0.000 1.015 385 R HN 0.125 nan 8.270 nan 0.000 0.498 386 K N 2.702 122.910 120.400 -0.320 0.000 2.416 386 K HA 0.094 4.413 4.320 -0.002 0.000 0.283 386 K C -2.329 174.011 176.600 -0.435 0.000 1.037 386 K CA -1.737 54.028 56.287 -0.869 0.000 0.995 386 K CB 0.595 32.720 32.500 -0.626 0.000 0.938 386 K HN -0.205 nan 8.250 nan 0.000 0.475 387 P HA -0.032 nan 4.420 nan 0.000 0.262 387 P C 0.225 177.433 177.300 -0.153 0.000 1.182 387 P CA 0.721 63.707 63.100 -0.190 0.000 0.761 387 P CB 0.543 32.160 31.700 -0.138 0.000 0.795 388 G N 1.811 110.552 108.800 -0.098 0.000 2.155 388 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.257 388 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.257 388 G C 0.030 174.875 174.900 -0.091 0.000 0.983 388 G CA -0.216 44.835 45.100 -0.082 0.000 0.676 388 G HN 0.587 nan 8.290 nan 0.000 0.528 389 L N 2.419 123.575 121.223 -0.112 0.000 2.540 389 L HA 0.528 4.867 4.340 -0.002 0.000 0.276 389 L C 1.081 177.891 176.870 -0.099 0.000 1.212 389 L CA 1.230 56.004 54.840 -0.111 0.000 0.893 389 L CB 0.498 42.482 42.059 -0.124 0.000 1.138 389 L HN 0.512 nan 8.230 nan 0.000 0.491 390 T N 3.723 118.223 114.554 -0.090 0.000 2.912 390 T HA 0.718 5.067 4.350 -0.002 0.000 0.288 390 T C -0.220 174.431 174.700 -0.083 0.000 1.030 390 T CA -0.976 61.083 62.100 -0.069 0.000 1.020 390 T CB 1.242 70.076 68.868 -0.057 0.000 1.056 390 T HN 0.496 nan 8.240 nan 0.000 0.480 391 L N 0.844 122.041 121.223 -0.044 0.000 2.304 391 L HA 0.893 5.232 4.340 -0.002 0.000 0.268 391 L C 0.725 177.677 176.870 0.137 0.000 1.010 391 L CA -1.155 53.646 54.840 -0.063 0.000 0.813 391 L CB 1.867 43.782 42.059 -0.239 0.000 1.315 391 L HN 0.995 nan 8.230 nan 0.000 0.445 392 G N -0.042 108.827 108.800 0.114 0.000 2.730 392 G HA2 0.677 4.635 3.960 -0.002 0.000 0.289 392 G HA3 0.677 4.635 3.960 -0.002 0.000 0.289 392 G C -1.126 173.886 174.900 0.186 0.000 1.341 392 G CA -0.760 44.475 45.100 0.226 0.000 0.932 392 G HN 0.398 nan 8.290 nan 0.000 0.481 393 I N 2.039 122.740 120.570 0.218 0.000 2.363 393 I HA 0.388 4.557 4.170 -0.002 0.000 0.292 393 I C 1.392 177.580 176.117 0.118 0.000 1.075 393 I CA 1.023 62.414 61.300 0.151 0.000 1.333 393 I CB 0.360 38.457 38.000 0.161 0.000 1.415 393 I HN 1.020 nan 8.210 nan 0.000 0.502 394 G N 4.879 113.739 108.800 0.100 0.000 2.622 394 G HA2 -0.336 3.623 3.960 -0.002 0.000 0.307 394 G HA3 -0.336 3.623 3.960 -0.002 0.000 0.307 394 G C 0.744 175.696 174.900 0.086 0.000 1.226 394 G CA 0.314 45.470 45.100 0.092 0.000 0.997 394 G HN 0.602 nan 8.290 nan 0.000 0.551 395 c N 2.454 121.100 118.600 0.076 0.000 2.626 395 c HA 0.353 4.921 4.570 -0.002 0.000 0.266 395 c C 1.258 175.383 174.090 0.058 0.000 1.317 395 c CA 0.191 56.558 56.329 0.064 0.000 1.716 395 c CB -1.544 40.999 42.510 0.056 0.000 1.819 395 c HN 0.491 nan 8.230 nan 0.000 0.578 396 E N 1.105 121.347 120.200 0.070 0.000 2.392 396 E HA 0.113 4.461 4.350 -0.002 0.000 0.256 396 E C 0.159 176.793 176.600 0.058 0.000 1.145 396 E CA 0.047 56.487 56.400 0.066 0.000 0.929 396 E CB 0.417 30.168 29.700 0.084 0.000 0.998 396 E HN 0.271 nan 8.360 nan 0.000 0.442 397 T N 1.417 115.993 114.554 0.037 0.000 2.777 397 T HA 0.004 4.353 4.350 -0.002 0.000 0.273 397 T C 0.115 174.824 174.700 0.016 0.000 1.016 397 T CA 0.015 62.123 62.100 0.014 0.000 1.156 397 T CB 0.081 68.944 68.868 -0.009 0.000 1.019 397 T HN 0.514 nan 8.240 nan 0.000 0.503 398 A N 3.749 126.570 122.820 0.002 0.000 2.491 398 A HA 0.298 4.616 4.320 -0.002 0.000 0.261 398 A C 0.974 178.522 177.584 -0.060 0.000 1.101 398 A CA -0.351 51.685 52.037 -0.002 0.000 0.772 398 A CB 0.036 19.023 19.000 -0.021 0.000 1.043 398 A HN 0.982 nan 8.150 nan 0.000 0.501 399 Q N 1.467 121.203 119.800 -0.107 0.000 1.982 399 Q HA 0.218 4.557 4.340 -0.002 0.000 0.208 399 Q C -1.177 174.546 176.000 -0.462 0.000 0.751 399 Q CA -0.097 55.515 55.803 -0.319 0.000 0.914 399 Q CB 0.496 28.934 28.738 -0.500 0.000 1.207 399 Q HN 0.643 nan 8.270 nan 0.000 0.433 400 F N 3.183 123.112 119.950 -0.036 0.000 2.388 400 F HA 0.449 4.975 4.527 -0.002 0.000 0.358 400 F C -2.317 173.441 175.800 -0.069 0.000 1.122 400 F CA -2.833 55.144 58.000 -0.038 0.000 1.056 400 F CB 1.033 40.024 39.000 -0.016 0.000 1.155 400 F HN -0.222 nan 8.300 nan 0.000 0.461 401 P HA -0.006 nan 4.420 nan 0.000 0.267 401 P C 1.102 178.403 177.300 0.002 0.000 1.209 401 P CA 0.108 63.213 63.100 0.008 0.000 0.763 401 P CB 0.799 32.498 31.700 -0.002 0.000 0.816 402 L N 6.813 128.002 121.223 -0.056 0.000 2.043 402 L HA -0.150 4.188 4.340 -0.002 0.000 0.212 402 L C -0.881 175.972 176.870 -0.029 0.000 1.075 402 L CA 2.335 57.119 54.840 -0.094 0.000 0.752 402 L CB -1.422 40.521 42.059 -0.193 0.000 0.891 402 L HN 0.354 nan 8.230 nan 0.000 0.432 403 P HA -0.237 nan 4.420 nan 0.000 0.216 403 P C 1.307 178.569 177.300 -0.063 0.000 1.150 403 P CA 1.488 64.625 63.100 0.063 0.000 0.837 403 P CB -0.091 31.647 31.700 0.064 0.000 0.786 404 Q N -0.080 119.695 119.800 -0.041 0.000 2.079 404 Q HA -0.116 4.223 4.340 -0.002 0.000 0.200 404 Q C 1.828 177.770 176.000 -0.096 0.000 0.974 404 Q CA 1.547 57.325 55.803 -0.042 0.000 0.840 404 Q CB -0.400 28.350 28.738 0.021 0.000 0.898 404 Q HN 0.028 nan 8.270 nan 0.000 0.430 405 V N 0.575 120.432 119.914 -0.095 0.000 2.295 405 V HA -0.201 3.917 4.120 -0.002 0.000 0.246 405 V C 2.391 178.291 176.094 -0.322 0.000 1.049 405 V CA 1.900 64.126 62.300 -0.123 0.000 1.024 405 V CB -1.347 30.488 31.823 0.022 0.000 0.648 405 V HN 0.614 nan 8.190 nan 0.000 0.447 406 G N -0.054 108.350 108.800 -0.659 0.000 2.446 406 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.217 406 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.217 406 G C 1.659 176.113 174.900 -0.743 0.000 1.168 406 G CA 0.949 45.141 45.100 -1.514 0.000 0.771 406 G HN 0.494 nan 8.290 nan 0.000 0.551 407 K N 0.075 120.193 120.400 -0.470 0.000 2.097 407 K HA -0.083 4.236 4.320 -0.002 0.000 0.206 407 K C 2.153 178.690 176.600 -0.105 0.000 1.049 407 K CA 1.037 57.221 56.287 -0.171 0.000 0.933 407 K CB -0.175 32.263 32.500 -0.104 0.000 0.717 407 K HN 0.192 nan 8.250 nan 0.000 0.442 408 D N 1.484 121.794 120.400 -0.150 0.000 2.103 408 D HA -0.196 4.442 4.640 -0.002 0.000 0.190 408 D C 1.869 178.056 176.300 -0.189 0.000 0.997 408 D CA 1.037 54.959 54.000 -0.131 0.000 0.833 408 D CB -0.124 40.595 40.800 -0.134 0.000 0.961 408 D HN -0.004 nan 8.370 nan 0.000 0.447 409 L N -0.247 120.781 121.223 -0.324 0.000 2.043 409 L HA -0.137 4.201 4.340 -0.002 0.000 0.212 409 L C 2.249 178.853 176.870 -0.443 0.000 1.075 409 L CA 1.632 56.151 54.840 -0.536 0.000 0.752 409 L CB -0.970 40.662 42.059 -0.712 0.000 0.891 409 L HN 0.009 nan 8.230 nan 0.000 0.432 410 F N -0.599 119.181 119.950 -0.283 0.000 2.502 410 F HA -0.030 4.496 4.527 -0.002 0.000 0.298 410 F C 2.480 178.230 175.800 -0.083 0.000 1.111 410 F CA 0.696 58.610 58.000 -0.143 0.000 1.445 410 F CB -0.253 38.696 39.000 -0.085 0.000 1.081 410 F HN 0.022 nan 8.300 nan 0.000 0.558 411 R N 0.219 120.743 120.500 0.040 0.000 2.081 411 R HA -0.150 4.188 4.340 -0.002 0.000 0.235 411 R C 1.703 178.014 176.300 0.019 0.000 1.131 411 R CA 1.717 57.836 56.100 0.032 0.000 0.960 411 R CB -0.368 29.941 30.300 0.014 0.000 0.856 411 R HN 0.214 nan 8.270 nan 0.000 0.436 412 D N 0.583 120.970 120.400 -0.023 0.000 2.103 412 D HA -0.115 4.524 4.640 -0.002 0.000 0.199 412 D C 2.016 178.322 176.300 0.011 0.000 0.978 412 D CA 0.953 54.978 54.000 0.042 0.000 0.829 412 D CB -0.280 40.616 40.800 0.159 0.000 0.981 412 D HN 0.155 nan 8.370 nan 0.000 0.464 413 L N 0.487 121.620 121.223 -0.150 0.000 2.079 413 L HA -0.199 4.139 4.340 -0.002 0.000 0.210 413 L C 2.412 179.275 176.870 -0.011 0.000 1.081 413 L CA 1.106 55.856 54.840 -0.150 0.000 0.752 413 L CB -0.389 41.422 42.059 -0.412 0.000 0.896 413 L HN 0.019 nan 8.230 nan 0.000 0.433 414 K N 0.419 120.845 120.400 0.044 0.000 2.147 414 K HA -0.160 4.159 4.320 -0.002 0.000 0.205 414 K C 2.222 178.860 176.600 0.065 0.000 1.049 414 K CA 1.175 57.517 56.287 0.093 0.000 0.936 414 K CB 0.056 32.625 32.500 0.114 0.000 0.722 414 K HN 0.173 nan 8.250 nan 0.000 0.446 415 R N -0.380 120.152 120.500 0.052 0.000 2.090 415 R HA -0.040 4.298 4.340 -0.002 0.000 0.228 415 R C 2.164 178.484 176.300 0.033 0.000 1.110 415 R CA 1.234 57.362 56.100 0.046 0.000 0.973 415 R CB -0.225 30.107 30.300 0.053 0.000 0.869 415 R HN 0.024 nan 8.270 nan 0.000 0.440 416 V N 1.209 121.143 119.914 0.033 0.000 2.343 416 V HA -0.253 3.866 4.120 -0.002 0.000 0.247 416 V C 2.459 178.519 176.094 -0.056 0.000 1.051 416 V CA 1.996 64.295 62.300 -0.002 0.000 1.036 416 V CB -0.758 31.064 31.823 -0.001 0.000 0.654 416 V HN 0.394 nan 8.190 nan 0.000 0.451 417 A N -0.643 122.166 122.820 -0.017 0.000 1.902 417 A HA -0.296 4.023 4.320 -0.002 0.000 0.217 417 A C 2.196 179.802 177.584 0.038 0.000 1.181 417 A CA 1.979 54.025 52.037 0.015 0.000 0.623 417 A CB -0.491 18.593 19.000 0.140 0.000 0.818 417 A HN 0.625 nan 8.150 nan 0.000 0.443 418 Q N -0.908 118.916 119.800 0.040 0.000 2.096 418 Q HA -0.137 4.201 4.340 -0.002 0.000 0.204 418 Q C 2.202 178.210 176.000 0.013 0.000 0.982 418 Q CA 2.016 57.842 55.803 0.038 0.000 0.850 418 Q CB -0.440 28.317 28.738 0.032 0.000 0.901 418 Q HN 0.680 nan 8.270 nan 0.000 0.422 419 T N 1.277 115.822 114.554 -0.014 0.000 2.708 419 T HA -0.119 4.230 4.350 -0.002 0.000 0.266 419 T C 1.845 176.517 174.700 -0.046 0.000 1.037 419 T CA 0.954 63.034 62.100 -0.034 0.000 1.146 419 T CB -0.242 68.601 68.868 -0.043 0.000 0.865 419 T HN 0.166 nan 8.240 nan 0.000 0.435 420 L N 0.833 121.993 121.223 -0.106 0.000 2.083 420 L HA -0.115 4.224 4.340 -0.002 0.000 0.209 420 L C 2.440 179.334 176.870 0.040 0.000 1.083 420 L CA 1.119 55.867 54.840 -0.153 0.000 0.752 420 L CB -0.471 41.207 42.059 -0.634 0.000 0.899 420 L HN 0.185 nan 8.230 nan 0.000 0.433 421 D N -0.772 119.690 120.400 0.103 0.000 2.183 421 D HA -0.133 4.506 4.640 -0.002 0.000 0.203 421 D C 2.385 178.735 176.300 0.083 0.000 0.969 421 D CA 1.569 55.661 54.000 0.154 0.000 0.842 421 D CB 0.013 40.906 40.800 0.155 0.000 0.957 421 D HN 0.339 nan 8.370 nan 0.000 0.484 422 S N 0.872 116.599 115.700 0.045 0.000 2.402 422 S HA -0.114 4.354 4.470 -0.002 0.000 0.229 422 S C 2.133 176.746 174.600 0.021 0.000 1.021 422 S CA 0.629 58.844 58.200 0.025 0.000 0.974 422 S CB -0.593 62.609 63.200 0.003 0.000 0.800 422 S HN 0.507 nan 8.310 nan 0.000 0.484 423 I N -2.065 118.518 120.570 0.021 0.000 3.603 423 I HA 0.268 4.437 4.170 -0.002 0.000 0.297 423 I C 1.423 177.565 176.117 0.042 0.000 1.269 423 I CA 0.413 61.725 61.300 0.019 0.000 1.361 423 I CB -0.239 37.763 38.000 0.004 0.000 1.063 423 I HN 0.114 nan 8.210 nan 0.000 0.448 424 N N 1.711 120.454 118.700 0.071 0.000 2.368 424 N HA 0.188 4.927 4.740 -0.002 0.000 0.178 424 N C 0.748 176.301 175.510 0.073 0.000 1.076 424 N CA 1.104 54.210 53.050 0.092 0.000 0.889 424 N CB 0.974 39.561 38.487 0.166 0.000 1.040 424 N HN 0.540 nan 8.380 nan 0.000 0.463 425 G N 0.106 108.946 108.800 0.065 0.000 2.777 425 G HA2 0.268 4.226 3.960 -0.002 0.000 0.686 425 G HA3 0.268 4.226 3.960 -0.002 0.000 0.686 425 G C 0.180 175.117 174.900 0.061 0.000 1.177 425 G CA -0.212 44.919 45.100 0.052 0.000 0.775 425 G HN 0.632 nan 8.290 nan 0.000 0.613 426 G N 0.565 109.396 108.800 0.050 0.000 2.545 426 G HA2 0.208 4.167 3.960 -0.002 0.000 0.216 426 G HA3 0.208 4.167 3.960 -0.002 0.000 0.216 426 G C 0.127 175.065 174.900 0.064 0.000 1.314 426 G CA 0.754 45.883 45.100 0.049 0.000 0.906 426 G HN 1.646 nan 8.290 nan 0.000 0.563 427 E N -0.392 119.845 120.200 0.061 0.000 2.945 427 E HA 0.405 4.754 4.350 -0.002 0.000 0.196 427 E C 1.738 178.382 176.600 0.075 0.000 0.965 427 E CA 0.447 56.892 56.400 0.076 0.000 1.270 427 E CB 0.754 30.489 29.700 0.058 0.000 1.045 427 E HN 0.854 nan 8.360 nan 0.000 0.474 428 A N 0.291 123.135 122.820 0.042 0.000 1.940 428 A HA -0.198 4.120 4.320 -0.002 0.000 0.219 428 A C 1.588 179.158 177.584 -0.023 0.000 1.176 428 A CA 1.341 53.359 52.037 -0.032 0.000 0.631 428 A CB -0.507 18.416 19.000 -0.128 0.000 0.814 428 A HN 0.255 nan 8.150 nan 0.000 0.446 429 Y N -0.264 120.080 120.300 0.074 0.000 2.263 429 Y HA -0.133 4.416 4.550 -0.002 0.000 0.292 429 Y C 2.729 178.692 175.900 0.104 0.000 1.130 429 Y CA 1.626 59.781 58.100 0.091 0.000 1.179 429 Y CB -0.358 38.150 38.460 0.080 0.000 0.998 429 Y HN 0.396 nan 8.280 nan 0.000 0.532 430 Q N -0.174 119.769 119.800 0.238 0.000 2.119 430 Q HA -0.217 4.122 4.340 -0.002 0.000 0.201 430 Q C 2.122 178.206 176.000 0.141 0.000 0.972 430 Q CA 1.454 57.359 55.803 0.171 0.000 0.847 430 Q CB -0.117 28.696 28.738 0.126 0.000 0.903 430 Q HN 0.120 nan 8.270 nan 0.000 0.433 431 K N 0.585 121.051 120.400 0.110 0.000 2.063 431 K HA -0.134 4.184 4.320 -0.002 0.000 0.208 431 K C 1.769 178.430 176.600 0.100 0.000 1.048 431 K CA 1.147 57.482 56.287 0.081 0.000 0.928 431 K CB -0.480 32.050 32.500 0.051 0.000 0.713 431 K HN 0.026 nan 8.250 nan 0.000 0.442 432 V N -0.075 119.921 119.914 0.136 0.000 2.427 432 V HA -0.298 3.821 4.120 -0.002 0.000 0.248 432 V C 2.405 178.649 176.094 0.251 0.000 1.051 432 V CA 1.771 64.180 62.300 0.181 0.000 1.048 432 V CB -0.452 31.499 31.823 0.214 0.000 0.666 432 V HN 0.443 nan 8.190 nan 0.000 0.456 433 C N 0.002 119.483 119.300 0.302 0.000 2.432 433 C HA -0.161 4.297 4.460 -0.002 0.000 0.277 433 C C 2.525 177.608 174.990 0.155 0.000 1.249 433 C CA 0.902 60.151 59.018 0.386 0.000 1.725 433 C CB -1.039 26.922 27.740 0.368 0.000 2.028 433 C HN 0.597 nan 8.230 nan 0.000 0.477 434 D N 0.576 121.036 120.400 0.102 0.000 2.123 434 D HA -0.119 4.520 4.640 -0.002 0.000 0.196 434 D C 2.083 178.368 176.300 -0.025 0.000 0.992 434 D CA 1.260 55.277 54.000 0.027 0.000 0.833 434 D CB -0.488 40.334 40.800 0.036 0.000 0.954 434 D HN 0.633 nan 8.370 nan 0.000 0.455 435 E N 0.262 120.461 120.200 -0.002 0.000 2.017 435 E HA -0.099 4.249 4.350 -0.002 0.000 0.193 435 E C 2.409 178.941 176.600 -0.113 0.000 0.997 435 E CA 0.588 56.968 56.400 -0.033 0.000 0.804 435 E CB -0.142 29.566 29.700 0.014 0.000 0.757 435 E HN 0.244 nan 8.360 nan 0.000 0.448 436 L N 0.657 121.802 121.223 -0.131 0.000 2.156 436 L HA -0.102 4.237 4.340 -0.002 0.000 0.208 436 L C 2.551 179.078 176.870 -0.570 0.000 1.095 436 L CA 0.235 54.887 54.840 -0.313 0.000 0.770 436 L CB -0.263 41.694 42.059 -0.171 0.000 0.914 436 L HN 0.068 nan 8.230 nan 0.000 0.439 437 V N 0.348 119.858 119.914 -0.674 0.000 2.490 437 V HA -0.269 3.850 4.120 -0.002 0.000 0.250 437 V C 2.664 178.628 176.094 -0.218 0.000 1.061 437 V CA 1.732 63.673 62.300 -0.598 0.000 1.064 437 V CB -0.150 31.403 31.823 -0.450 0.000 0.670 437 V HN 0.454 nan 8.190 nan 0.000 0.461 438 A N -1.235 121.474 122.820 -0.184 0.000 2.024 438 A HA -0.276 4.043 4.320 -0.002 0.000 0.220 438 A C 2.237 179.739 177.584 -0.137 0.000 1.164 438 A CA 2.160 54.125 52.037 -0.119 0.000 0.643 438 A CB -1.187 17.754 19.000 -0.099 0.000 0.806 438 A HN 0.680 nan 8.150 nan 0.000 0.451 439 C N -1.857 117.300 119.300 -0.238 0.000 2.432 439 C HA 0.006 4.464 4.460 -0.002 0.000 0.282 439 C C 2.211 177.046 174.990 -0.259 0.000 1.388 439 C CA 0.429 59.262 59.018 -0.308 0.000 1.777 439 C CB -1.815 25.625 27.740 -0.501 0.000 1.882 439 C HN 0.629 nan 8.230 nan 0.000 0.520 440 F N 0.979 120.898 119.950 -0.051 0.000 2.234 440 F HA -0.040 4.486 4.527 -0.002 0.000 0.296 440 F C 2.260 178.040 175.800 -0.033 0.000 1.089 440 F CA 1.302 59.281 58.000 -0.034 0.000 1.343 440 F CB -0.561 38.355 39.000 -0.141 0.000 1.040 440 F HN 0.221 nan 8.300 nan 0.000 0.498 441 D N -0.388 120.064 120.400 0.086 0.000 2.178 441 D HA -0.132 4.507 4.640 -0.002 0.000 0.202 441 D C 0.389 176.697 176.300 0.013 0.000 0.974 441 D CA 1.181 55.202 54.000 0.035 0.000 0.841 441 D CB -0.155 40.648 40.800 0.005 0.000 0.953 441 D HN 0.115 nan 8.370 nan 0.000 0.478 442 N N -0.439 118.252 118.700 -0.015 0.000 2.607 442 N HA 0.114 4.852 4.740 -0.002 0.000 0.271 442 N C -2.297 173.177 175.510 -0.060 0.000 1.142 442 N CA -1.628 51.405 53.050 -0.029 0.000 0.810 442 N CB 1.889 40.352 38.487 -0.041 0.000 1.306 442 N HN -0.255 nan 8.380 nan 0.000 0.536 443 P HA -0.021 nan 4.420 nan 0.000 0.228 443 P C 0.216 177.445 177.300 -0.120 0.000 1.151 443 P CA 0.776 63.821 63.100 -0.092 0.000 0.770 443 P CB 0.525 32.233 31.700 0.015 0.000 0.786 444 D N -0.773 119.590 120.400 -0.063 0.000 2.371 444 D HA -0.032 4.607 4.640 -0.002 0.000 0.221 444 D C 1.484 177.741 176.300 -0.072 0.000 0.986 444 D CA 0.369 54.340 54.000 -0.049 0.000 0.899 444 D CB -0.073 40.714 40.800 -0.022 0.000 0.902 444 D HN 0.117 nan 8.370 nan 0.000 0.530 445 L N 0.585 121.744 121.223 -0.107 0.000 2.558 445 L HA 0.057 4.396 4.340 -0.002 0.000 0.225 445 L C 1.013 177.808 176.870 -0.124 0.000 1.128 445 L CA 0.452 55.224 54.840 -0.113 0.000 0.868 445 L CB -0.340 41.645 42.059 -0.124 0.000 1.006 445 L HN -0.104 nan 8.230 nan 0.000 0.454 446 T N -4.215 110.226 114.554 -0.188 0.000 2.860 446 T HA 0.053 4.402 4.350 -0.002 0.000 0.299 446 T C 1.294 176.046 174.700 0.088 0.000 1.045 446 T CA -0.411 61.552 62.100 -0.228 0.000 1.071 446 T CB 0.360 68.923 68.868 -0.510 0.000 0.985 446 T HN 0.010 nan 8.240 nan 0.000 0.537 447 F N 1.310 121.226 119.950 -0.056 0.000 2.154 447 F HA -0.094 4.432 4.527 -0.002 0.000 0.301 447 F C 3.002 178.886 175.800 0.141 0.000 1.087 447 F CA 1.386 59.498 58.000 0.186 0.000 1.274 447 F CB -1.452 37.697 39.000 0.250 0.000 1.009 447 F HN 0.789 nan 8.300 nan 0.000 0.485 448 S N -0.310 115.514 115.700 0.206 0.000 2.414 448 S HA 0.035 4.503 4.470 -0.002 0.000 0.227 448 S C 2.234 176.878 174.600 0.074 0.000 1.022 448 S CA 0.587 58.855 58.200 0.113 0.000 0.958 448 S CB -0.804 62.426 63.200 0.050 0.000 0.797 448 S HN 0.220 nan 8.310 nan 0.000 0.493 449 A N 2.661 125.504 122.820 0.039 0.000 1.873 449 A HA 0.022 4.341 4.320 -0.002 0.000 0.215 449 A C 2.386 179.996 177.584 0.044 0.000 1.186 449 A CA 1.227 53.276 52.037 0.021 0.000 0.616 449 A CB -0.572 18.420 19.000 -0.013 0.000 0.823 449 A HN 0.529 nan 8.150 nan 0.000 0.442 450 R N -1.143 119.408 120.500 0.085 0.000 2.073 450 R HA -0.074 4.265 4.340 -0.002 0.000 0.234 450 R C 1.935 178.359 176.300 0.207 0.000 1.134 450 R CA 1.553 57.719 56.100 0.111 0.000 0.952 450 R CB -0.448 29.871 30.300 0.031 0.000 0.850 450 R HN 0.495 nan 8.270 nan 0.000 0.433 451 I N 0.427 121.151 120.570 0.257 0.000 2.617 451 I HA -0.127 4.042 4.170 -0.002 0.000 0.256 451 I C 1.767 177.912 176.117 0.046 0.000 1.167 451 I CA 0.704 62.092 61.300 0.147 0.000 1.469 451 I CB -0.008 37.990 38.000 -0.004 0.000 1.098 451 I HN 0.076 nan 8.210 nan 0.000 0.436 452 L N 0.424 121.658 121.223 0.019 0.000 2.093 452 L HA -0.124 4.215 4.340 -0.002 0.000 0.208 452 L C 2.548 179.359 176.870 -0.098 0.000 1.085 452 L CA 1.671 56.472 54.840 -0.065 0.000 0.755 452 L CB -0.680 41.327 42.059 -0.087 0.000 0.904 452 L HN 0.130 nan 8.230 nan 0.000 0.435 453 R N -1.192 119.279 120.500 -0.049 0.000 2.105 453 R HA -0.161 4.178 4.340 -0.002 0.000 0.239 453 R C 2.508 178.784 176.300 -0.039 0.000 1.135 453 R CA 1.523 57.591 56.100 -0.052 0.000 0.967 453 R CB -0.590 29.697 30.300 -0.022 0.000 0.861 453 R HN 0.485 nan 8.270 nan 0.000 0.442 454 S N 0.211 115.913 115.700 0.003 0.000 2.387 454 S HA -0.062 4.406 4.470 -0.002 0.000 0.226 454 S C 1.919 176.512 174.600 -0.012 0.000 1.026 454 S CA 0.822 59.030 58.200 0.013 0.000 0.972 454 S CB 0.089 63.342 63.200 0.087 0.000 0.814 454 S HN 0.175 nan 8.310 nan 0.000 0.477 455 M N 0.475 120.057 119.600 -0.030 0.000 2.254 455 M HA 0.141 4.619 4.480 -0.002 0.000 0.265 455 M C 1.921 178.170 176.300 -0.085 0.000 1.066 455 M CA 1.072 56.345 55.300 -0.044 0.000 1.123 455 M CB -0.299 32.276 32.600 -0.042 0.000 1.388 455 M HN 0.318 nan 8.290 nan 0.000 0.425 456 I N -0.105 120.375 120.570 -0.150 0.000 2.394 456 I HA -0.292 3.877 4.170 -0.002 0.000 0.251 456 I C 2.199 178.261 176.117 -0.091 0.000 1.136 456 I CA 1.196 62.384 61.300 -0.186 0.000 1.425 456 I CB -0.368 37.467 38.000 -0.275 0.000 1.079 456 I HN 0.363 nan 8.210 nan 0.000 0.425 457 D N 0.256 120.614 120.400 -0.069 0.000 2.120 457 D HA -0.103 4.536 4.640 -0.002 0.000 0.202 457 D C 1.660 177.944 176.300 -0.027 0.000 0.972 457 D CA 1.947 55.921 54.000 -0.043 0.000 0.837 457 D CB 0.389 41.165 40.800 -0.041 0.000 0.989 457 D HN 0.336 nan 8.370 nan 0.000 0.469 458 T N -2.412 112.130 114.554 -0.020 0.000 3.040 458 T HA 0.472 4.821 4.350 -0.002 0.000 0.266 458 T C 0.884 175.595 174.700 0.019 0.000 1.005 458 T CA 0.224 62.323 62.100 -0.001 0.000 0.906 458 T CB 1.387 70.252 68.868 -0.005 0.000 1.082 458 T HN 0.313 nan 8.240 nan 0.000 0.531 459 G N 1.504 110.308 108.800 0.006 0.000 2.758 459 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.686 459 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.686 459 G C 0.431 175.354 174.900 0.040 0.000 1.389 459 G CA -0.423 44.687 45.100 0.017 0.000 0.845 459 G HN 0.286 nan 8.290 nan 0.000 0.572 460 I N 1.384 121.982 120.570 0.047 0.000 2.163 460 I HA -0.161 4.008 4.170 -0.002 0.000 0.243 460 I C 3.025 179.269 176.117 0.212 0.000 1.085 460 I CA 2.186 63.550 61.300 0.107 0.000 1.347 460 I CB -0.704 37.365 38.000 0.116 0.000 1.044 460 I HN 0.763 nan 8.210 nan 0.000 0.408 461 G N 0.671 109.556 108.800 0.142 0.000 2.480 461 G HA2 -0.199 3.760 3.960 -0.002 0.000 0.216 461 G HA3 -0.199 3.760 3.960 -0.002 0.000 0.216 461 G C 1.722 176.856 174.900 0.390 0.000 1.200 461 G CA 0.908 46.179 45.100 0.286 0.000 0.782 461 G HN 0.493 nan 8.290 nan 0.000 0.554 462 G N 0.006 108.936 108.800 0.217 0.000 2.418 462 G HA2 -0.146 3.813 3.960 -0.002 0.000 0.217 462 G HA3 -0.146 3.813 3.960 -0.002 0.000 0.217 462 G C 1.872 176.813 174.900 0.069 0.000 1.158 462 G CA 1.821 47.005 45.100 0.140 0.000 0.771 462 G HN 0.398 nan 8.290 nan 0.000 0.545 463 T N 0.948 115.533 114.554 0.051 0.000 2.708 463 T HA -0.049 4.300 4.350 -0.002 0.000 0.266 463 T C 2.502 177.199 174.700 -0.004 0.000 1.037 463 T CA 1.557 63.676 62.100 0.031 0.000 1.146 463 T CB -0.660 68.240 68.868 0.054 0.000 0.865 463 T HN 0.355 nan 8.240 nan 0.000 0.435 464 G N 1.652 110.342 108.800 -0.182 0.000 2.421 464 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.216 464 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.216 464 G C 1.611 176.247 174.900 -0.440 0.000 1.171 464 G CA 0.713 45.333 45.100 -0.799 0.000 0.775 464 G HN 0.433 nan 8.290 nan 0.000 0.543 465 K N 0.635 121.037 120.400 0.003 0.000 2.032 465 K HA -0.017 4.302 4.320 -0.002 0.000 0.209 465 K C 2.974 179.568 176.600 -0.010 0.000 1.048 465 K CA 1.102 57.467 56.287 0.130 0.000 0.927 465 K CB -0.296 32.337 32.500 0.221 0.000 0.712 465 K HN 0.263 nan 8.250 nan 0.000 0.441 466 A N 1.032 123.813 122.820 -0.064 0.000 1.883 466 A HA -0.171 4.147 4.320 -0.002 0.000 0.217 466 A C 2.004 179.426 177.584 -0.271 0.000 1.186 466 A CA 1.414 53.350 52.037 -0.169 0.000 0.624 466 A CB -0.742 18.121 19.000 -0.229 0.000 0.822 466 A HN 0.187 nan 8.150 nan 0.000 0.444 467 F N 0.069 119.817 119.950 -0.338 0.000 2.113 467 F HA -0.069 4.457 4.527 -0.002 0.000 0.297 467 F C 2.821 178.286 175.800 -0.558 0.000 1.103 467 F CA 1.056 58.714 58.000 -0.570 0.000 1.248 467 F CB -0.600 38.078 39.000 -0.538 0.000 0.999 467 F HN 0.257 nan 8.300 nan 0.000 0.475 468 A N -0.337 122.423 122.820 -0.100 0.000 1.908 468 A HA -0.256 4.062 4.320 -0.002 0.000 0.218 468 A C 2.069 179.662 177.584 0.015 0.000 1.181 468 A CA 1.973 54.017 52.037 0.012 0.000 0.627 468 A CB -0.819 18.229 19.000 0.080 0.000 0.818 468 A HN 0.362 nan 8.150 nan 0.000 0.445 469 E N 0.508 120.688 120.200 -0.032 0.000 2.038 469 E HA -0.101 4.247 4.350 -0.002 0.000 0.195 469 E C 2.001 178.572 176.600 -0.049 0.000 1.000 469 E CA 1.983 58.366 56.400 -0.029 0.000 0.803 469 E CB -0.612 29.061 29.700 -0.045 0.000 0.750 469 E HN 0.441 nan 8.360 nan 0.000 0.448 470 A N -0.560 122.177 122.820 -0.138 0.000 1.933 470 A HA -0.148 4.171 4.320 -0.002 0.000 0.218 470 A C 2.055 179.638 177.584 -0.002 0.000 1.175 470 A CA 1.549 53.509 52.037 -0.129 0.000 0.628 470 A CB -0.918 17.936 19.000 -0.244 0.000 0.814 470 A HN 0.426 nan 8.150 nan 0.000 0.444 471 Y N -0.195 120.125 120.300 0.034 0.000 2.314 471 Y HA -0.090 4.459 4.550 -0.002 0.000 0.293 471 Y C 2.429 178.343 175.900 0.023 0.000 1.129 471 Y CA 0.868 58.987 58.100 0.031 0.000 1.201 471 Y CB -0.733 37.751 38.460 0.039 0.000 0.999 471 Y HN 0.437 nan 8.280 nan 0.000 0.541 472 R N 0.600 121.201 120.500 0.168 0.000 2.073 472 R HA -0.169 4.170 4.340 -0.002 0.000 0.234 472 R C 1.725 178.062 176.300 0.061 0.000 1.134 472 R CA 1.854 58.014 56.100 0.099 0.000 0.952 472 R CB -0.170 30.173 30.300 0.071 0.000 0.850 472 R HN 0.224 nan 8.270 nan 0.000 0.433 473 N N 0.884 119.612 118.700 0.047 0.000 2.142 473 N HA -0.164 4.575 4.740 -0.002 0.000 0.186 473 N C 1.732 177.262 175.510 0.033 0.000 1.023 473 N CA 1.042 54.107 53.050 0.025 0.000 0.852 473 N CB -0.380 38.111 38.487 0.008 0.000 0.998 473 N HN 0.196 nan 8.380 nan 0.000 0.424 474 L N 1.128 122.388 121.223 0.062 0.000 1.994 474 L HA -0.024 4.315 4.340 -0.002 0.000 0.208 474 L C 2.001 178.894 176.870 0.038 0.000 1.071 474 L CA 1.377 56.253 54.840 0.061 0.000 0.745 474 L CB -0.536 41.591 42.059 0.114 0.000 0.892 474 L HN 0.087 nan 8.230 nan 0.000 0.431 475 L N -1.007 120.244 121.223 0.046 0.000 2.156 475 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 475 L C 2.719 179.588 176.870 -0.002 0.000 1.095 475 L CA 0.932 55.781 54.840 0.014 0.000 0.770 475 L CB -0.477 41.597 42.059 0.025 0.000 0.914 475 L HN 0.236 nan 8.230 nan 0.000 0.439 476 R N -0.210 120.290 120.500 0.001 0.000 2.120 476 R HA -0.136 4.202 4.340 -0.002 0.000 0.234 476 R C 1.980 178.270 176.300 -0.017 0.000 1.123 476 R CA 0.913 57.002 56.100 -0.019 0.000 0.975 476 R CB -0.154 30.135 30.300 -0.018 0.000 0.866 476 R HN 0.295 nan 8.270 nan 0.000 0.446 477 E N 0.990 121.186 120.200 -0.007 0.000 2.299 477 E HA -0.017 4.332 4.350 -0.002 0.000 0.193 477 E C -0.084 176.512 176.600 -0.007 0.000 0.998 477 E CA 0.538 56.934 56.400 -0.007 0.000 0.851 477 E CB 0.128 29.826 29.700 -0.002 0.000 0.795 477 E HN 0.436 nan 8.360 nan 0.000 0.492 478 E N 2.709 122.904 120.200 -0.009 0.000 2.316 478 E HA 0.130 4.478 4.350 -0.002 0.000 0.275 478 E C -2.192 174.401 176.600 -0.011 0.000 1.029 478 E CA -1.845 54.547 56.400 -0.012 0.000 0.871 478 E CB 0.535 30.223 29.700 -0.019 0.000 1.022 478 E HN 0.006 nan 8.360 nan 0.000 0.418 479 P HA -0.006 nan 4.420 nan 0.000 0.271 479 P C -0.062 177.234 177.300 -0.006 0.000 1.218 479 P CA -0.015 63.084 63.100 -0.002 0.000 0.780 479 P CB 0.672 32.372 31.700 -0.000 0.000 0.901 480 L N 1.935 123.162 121.223 0.007 0.000 2.492 480 L HA -0.020 4.319 4.340 -0.002 0.000 0.280 480 L C 1.620 178.475 176.870 -0.024 0.000 1.240 480 L CA 0.768 55.608 54.840 -0.001 0.000 0.831 480 L CB -0.217 41.867 42.059 0.041 0.000 1.100 480 L HN 0.533 nan 8.230 nan 0.000 0.505 481 E N 0.540 120.705 120.200 -0.058 0.000 2.505 481 E HA 0.170 4.518 4.350 -0.002 0.000 0.212 481 E C 1.255 177.811 176.600 -0.072 0.000 0.825 481 E CA 0.151 56.517 56.400 -0.057 0.000 1.333 481 E CB 0.824 30.488 29.700 -0.060 0.000 1.319 481 E HN 0.596 nan 8.360 nan 0.000 0.658 482 I N 0.301 120.790 120.570 -0.134 0.000 3.650 482 I HA 0.110 4.279 4.170 -0.002 0.000 0.261 482 I C 0.408 176.411 176.117 -0.190 0.000 1.154 482 I CA -0.006 61.207 61.300 -0.146 0.000 1.418 482 I CB 0.655 38.519 38.000 -0.227 0.000 1.539 482 I HN -0.119 nan 8.210 nan 0.000 0.449 483 L N 2.027 123.052 121.223 -0.331 0.000 2.417 483 L HA 0.295 4.634 4.340 -0.002 0.000 0.268 483 L C 0.086 176.890 176.870 -0.111 0.000 1.158 483 L CA -0.004 54.625 54.840 -0.352 0.000 0.819 483 L CB 0.528 42.156 42.059 -0.719 0.000 1.112 483 L HN 0.156 nan 8.230 nan 0.000 0.458 484 R N 0.674 121.133 120.500 -0.068 0.000 2.758 484 R HA 0.156 4.495 4.340 -0.002 0.000 0.265 484 R C 0.764 177.132 176.300 0.113 0.000 1.016 484 R CA -0.714 55.405 56.100 0.031 0.000 1.040 484 R CB 1.389 31.702 30.300 0.021 0.000 1.152 484 R HN 0.612 nan 8.270 nan 0.000 0.503 485 E N 1.174 121.463 120.200 0.148 0.000 2.171 485 E HA -0.269 4.080 4.350 -0.002 0.000 0.197 485 E C 0.666 177.354 176.600 0.146 0.000 0.997 485 E CA 1.696 58.207 56.400 0.184 0.000 0.810 485 E CB 0.272 30.087 29.700 0.192 0.000 0.738 485 E HN 0.483 nan 8.360 nan 0.000 0.467 486 E N 0.900 121.158 120.200 0.097 0.000 2.118 486 E HA -0.191 4.157 4.350 -0.002 0.000 0.195 486 E C 1.640 178.278 176.600 0.063 0.000 0.992 486 E CA 1.504 57.949 56.400 0.075 0.000 0.804 486 E CB -0.091 29.640 29.700 0.052 0.000 0.741 486 E HN 0.395 nan 8.360 nan 0.000 0.458 487 D N -0.559 119.860 120.400 0.033 0.000 2.149 487 D HA -0.104 4.535 4.640 -0.002 0.000 0.201 487 D C 1.657 177.968 176.300 0.017 0.000 0.972 487 D CA 0.782 54.789 54.000 0.011 0.000 0.835 487 D CB -0.212 40.541 40.800 -0.078 0.000 0.966 487 D HN 0.204 nan 8.370 nan 0.000 0.476 488 F N 0.989 120.931 119.950 -0.013 0.000 2.163 488 F HA -0.119 4.407 4.527 -0.002 0.000 0.297 488 F C 2.521 178.330 175.800 0.015 0.000 1.094 488 F CA 0.422 58.377 58.000 -0.075 0.000 1.290 488 F CB -0.609 37.882 39.000 -0.849 0.000 1.017 488 F HN -0.202 nan 8.300 nan 0.000 0.483 489 V N 0.019 120.052 119.914 0.198 0.000 2.261 489 V HA -0.319 3.800 4.120 -0.002 0.000 0.246 489 V C 2.623 178.770 176.094 0.088 0.000 1.047 489 V CA 1.856 64.251 62.300 0.157 0.000 1.015 489 V CB -1.392 30.513 31.823 0.136 0.000 0.642 489 V HN 0.347 nan 8.190 nan 0.000 0.446 490 A N -0.216 122.636 122.820 0.053 0.000 1.948 490 A HA -0.299 4.020 4.320 -0.002 0.000 0.220 490 A C 2.188 179.737 177.584 -0.058 0.000 1.177 490 A CA 2.371 54.411 52.037 0.005 0.000 0.636 490 A CB -0.496 18.507 19.000 0.005 0.000 0.815 490 A HN 0.567 nan 8.150 nan 0.000 0.449 491 E N -0.184 119.952 120.200 -0.107 0.000 2.122 491 E HA -0.092 4.257 4.350 -0.002 0.000 0.190 491 E C 2.103 178.569 176.600 -0.224 0.000 0.977 491 E CA 1.030 57.232 56.400 -0.330 0.000 0.820 491 E CB -0.326 28.955 29.700 -0.698 0.000 0.770 491 E HN 0.574 nan 8.360 nan 0.000 0.462 492 R N 0.559 121.077 120.500 0.029 0.000 2.083 492 R HA -0.179 4.159 4.340 -0.002 0.000 0.237 492 R C 1.940 178.270 176.300 0.051 0.000 1.137 492 R CA 1.963 58.141 56.100 0.131 0.000 0.951 492 R CB -0.136 30.281 30.300 0.195 0.000 0.851 492 R HN 0.227 nan 8.270 nan 0.000 0.434 493 E N -0.103 120.110 120.200 0.022 0.000 2.028 493 E HA -0.135 4.213 4.350 -0.002 0.000 0.191 493 E C 2.046 178.633 176.600 -0.022 0.000 0.988 493 E CA 1.048 57.454 56.400 0.010 0.000 0.799 493 E CB -0.168 29.539 29.700 0.013 0.000 0.755 493 E HN 0.476 nan 8.360 nan 0.000 0.447 494 A N 1.516 124.298 122.820 -0.063 0.000 1.948 494 A HA -0.247 4.072 4.320 -0.002 0.000 0.220 494 A C 2.343 179.871 177.584 -0.093 0.000 1.177 494 A CA 2.203 54.187 52.037 -0.089 0.000 0.636 494 A CB -0.692 18.227 19.000 -0.135 0.000 0.815 494 A HN 0.346 nan 8.150 nan 0.000 0.449 495 S N -0.533 115.102 115.700 -0.108 0.000 2.395 495 S HA -0.111 4.358 4.470 -0.002 0.000 0.225 495 S C 1.696 176.294 174.600 -0.004 0.000 1.027 495 S CA 1.186 59.344 58.200 -0.071 0.000 0.965 495 S CB -0.394 62.767 63.200 -0.065 0.000 0.812 495 S HN 0.653 nan 8.310 nan 0.000 0.482 496 E N 1.263 121.474 120.200 0.017 0.000 2.072 496 E HA -0.040 4.309 4.350 -0.002 0.000 0.191 496 E C 2.511 179.116 176.600 0.008 0.000 0.985 496 E CA 0.793 57.209 56.400 0.028 0.000 0.801 496 E CB -0.091 29.633 29.700 0.040 0.000 0.750 496 E HN 0.489 nan 8.360 nan 0.000 0.452 497 R N 0.595 121.093 120.500 -0.004 0.000 2.082 497 R HA -0.126 4.213 4.340 -0.002 0.000 0.234 497 R C 2.423 178.714 176.300 -0.015 0.000 1.136 497 R CA 1.421 57.514 56.100 -0.011 0.000 0.935 497 R CB -0.345 29.945 30.300 -0.017 0.000 0.842 497 R HN 0.110 nan 8.270 nan 0.000 0.430 498 R N 0.620 121.106 120.500 -0.024 0.000 2.103 498 R HA -0.242 4.097 4.340 -0.002 0.000 0.242 498 R C 2.468 178.757 176.300 -0.018 0.000 1.142 498 R CA 1.887 57.972 56.100 -0.026 0.000 0.960 498 R CB -0.367 29.911 30.300 -0.038 0.000 0.858 498 R HN 0.427 nan 8.270 nan 0.000 0.439 499 Q N 1.118 120.912 119.800 -0.009 0.000 2.050 499 Q HA -0.228 4.111 4.340 -0.002 0.000 0.202 499 Q C 2.246 178.239 176.000 -0.013 0.000 0.980 499 Q CA 1.950 57.750 55.803 -0.005 0.000 0.840 499 Q CB 0.059 28.806 28.738 0.016 0.000 0.898 499 Q HN 0.526 nan 8.270 nan 0.000 0.424 500 Q N -0.383 119.412 119.800 -0.009 0.000 2.123 500 Q HA -0.161 4.178 4.340 -0.002 0.000 0.199 500 Q C 1.579 177.569 176.000 -0.017 0.000 0.966 500 Q CA 1.349 57.144 55.803 -0.013 0.000 0.845 500 Q CB -0.251 28.482 28.738 -0.007 0.000 0.907 500 Q HN 0.453 nan 8.270 nan 0.000 0.439 501 E N 0.667 120.857 120.200 -0.016 0.000 2.209 501 E HA -0.147 4.202 4.350 -0.002 0.000 0.196 501 E C 1.946 178.534 176.600 -0.021 0.000 0.993 501 E CA 1.366 57.756 56.400 -0.016 0.000 0.819 501 E CB -0.097 29.594 29.700 -0.015 0.000 0.745 501 E HN 0.465 nan 8.360 nan 0.000 0.477 502 M N -0.126 119.457 119.600 -0.027 0.000 2.287 502 M HA -0.092 4.387 4.480 -0.002 0.000 0.266 502 M C 1.798 178.066 176.300 -0.052 0.000 1.079 502 M CA 1.124 56.401 55.300 -0.040 0.000 1.146 502 M CB 0.154 32.726 32.600 -0.046 0.000 1.374 502 M HN -0.009 nan 8.290 nan 0.000 0.435 503 E N 0.325 120.497 120.200 -0.046 0.000 2.208 503 E HA -0.086 4.262 4.350 -0.002 0.000 0.193 503 E C 1.951 178.526 176.600 -0.041 0.000 0.988 503 E CA 0.950 57.318 56.400 -0.052 0.000 0.828 503 E CB 0.010 29.684 29.700 -0.043 0.000 0.763 503 E HN 0.466 nan 8.360 nan 0.000 0.478 504 A N 1.830 124.633 122.820 -0.029 0.000 1.855 504 A HA 0.178 4.497 4.320 -0.002 0.000 0.213 504 A C 1.616 179.189 177.584 -0.019 0.000 1.195 504 A CA 0.764 52.789 52.037 -0.020 0.000 0.610 504 A CB -0.683 18.309 19.000 -0.014 0.000 0.837 504 A HN 0.279 nan 8.150 nan 0.000 0.444 509 P HA 0.407 nan 4.420 nan 0.000 0.277 509 P C 0.730 178.127 177.300 0.162 0.000 1.271 509 P CA -0.561 62.601 63.100 0.103 0.000 0.795 509 P CB 0.410 32.162 31.700 0.087 0.000 1.101 510 F N 1.046 121.016 119.950 0.033 0.000 2.128 510 F HA -0.018 4.507 4.527 -0.002 0.000 0.295 510 F C 2.329 178.224 175.800 0.159 0.000 1.100 510 F CA 1.862 59.899 58.000 0.062 0.000 1.260 510 F CB -1.023 37.984 39.000 0.012 0.000 1.009 510 F HN 0.362 nan 8.300 nan 0.000 0.476 511 A N -0.260 122.554 122.820 -0.011 0.000 1.978 511 A HA -0.116 4.203 4.320 -0.002 0.000 0.220 511 A C 2.261 179.793 177.584 -0.086 0.000 1.170 511 A CA 1.940 53.912 52.037 -0.110 0.000 0.636 511 A CB -1.325 17.690 19.000 0.026 0.000 0.810 511 A HN 0.307 nan 8.150 nan 0.000 0.448 512 V N -2.488 117.424 119.914 -0.004 0.000 2.346 512 V HA -0.206 3.913 4.120 -0.002 0.000 0.244 512 V C 2.126 178.238 176.094 0.031 0.000 1.037 512 V CA 1.556 63.866 62.300 0.017 0.000 1.029 512 V CB -0.928 30.923 31.823 0.047 0.000 0.663 512 V HN 0.873 nan 8.190 nan 0.000 0.454 513 W N 0.412 121.623 121.300 -0.149 0.000 2.342 513 W HA -0.220 4.439 4.660 -0.002 0.000 0.297 513 W C 2.073 178.450 176.519 -0.236 0.000 1.213 513 W CA 1.648 58.888 57.345 -0.176 0.000 1.251 513 W CB -0.125 29.216 29.460 -0.199 0.000 1.136 513 W HN 0.221 nan 8.180 nan 0.000 0.526 514 L N 1.959 123.121 121.223 -0.101 0.000 2.201 514 L HA -0.026 4.313 4.340 -0.002 0.000 0.212 514 L C 2.521 179.281 176.870 -0.183 0.000 1.105 514 L CA 2.799 57.500 54.840 -0.231 0.000 0.775 514 L CB -1.526 40.287 42.059 -0.411 0.000 0.913 514 L HN 0.229 nan 8.230 nan 0.000 0.440 515 E N -0.017 120.100 120.200 -0.138 0.000 2.265 515 E HA -0.149 4.199 4.350 -0.002 0.000 0.196 515 E C 2.084 178.603 176.600 -0.135 0.000 0.996 515 E CA 1.558 57.895 56.400 -0.104 0.000 0.832 515 E CB -0.980 28.678 29.700 -0.071 0.000 0.756 515 E HN 0.641 nan 8.360 nan 0.000 0.491 516 K N -0.314 119.978 120.400 -0.179 0.000 2.358 516 K HA 0.333 4.652 4.320 -0.002 0.000 0.197 516 K C 1.306 177.646 176.600 -0.432 0.000 1.025 516 K CA 0.808 56.950 56.287 -0.241 0.000 1.104 516 K CB -0.269 32.101 32.500 -0.217 0.000 0.855 516 K HN 0.647 nan 8.250 nan 0.000 0.531 517 H N -1.981 116.767 119.070 -0.538 0.000 3.794 517 H HA 0.481 5.035 4.556 -0.002 0.000 0.258 517 H C 1.161 176.307 175.328 -0.302 0.000 1.120 517 H CA -0.206 55.490 56.048 -0.586 0.000 1.166 517 H CB 0.689 29.752 29.762 -1.165 0.000 1.517 517 H HN 0.470 nan 8.280 nan 0.000 0.615 518 A N 0.000 122.781 122.820 -0.065 0.000 2.254 518 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 518 A CA 0.000 52.077 52.037 0.067 0.000 0.836 518 A CB 0.000 19.036 19.000 0.060 0.000 0.831 518 A HN 0.000 nan 8.150 nan 0.000 0.486