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 3hxz_1_D DATA FIRST_RESID 1 DATA SEQUENCE SKSTAEIRQA FLDFFHSKGH QVVASSSLVP HNDPTLLFTN AGMNQFKDVF DATA SEQUENCE LGLDKRNYSR ATTSQRCVRA GGKHNDLENV GYTARHHTFF EMLGNFSFGD DATA SEQUENCE YFKLDAILFA WLLLTSEKWF ALPKERLWVT VYESDDEAYE IWEKEVGIPR DATA SEQUENCE ERIIRIGDNK GAPYASDNFW QMGDTGPCGP CTEIFYDHGD HIWGGPPGSP DATA SEQUENCE EEDGDRYIEI WNIVFMQFNR QADGTMEPLP KPSVDTAMGL ERIAAVLQHV DATA SEQUENCE NSNYDIDLFR TLIQAVAKVT GATDLSNKSL RVIADHIRSC AFLIADGVMP DATA SEQUENCE SNENRGYVLR RIIRRAVRHG NMLGAKETFF YKLVGPLIDV MGSAGEDLKR DATA SEQUENCE QQAQVEQVLK TEEEQFARTL ERGLALLDEE LAKLSGDTLD GETAFRLYDT DATA SEQUENCE YGFPVDLTAD VCRERNIKVD EAGFEAAMEE QRRRAREASG F 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.591 174.600 -0.015 0.000 1.055 1 S CA 0.000 58.213 58.200 0.022 0.000 1.107 1 S CB 0.000 63.216 63.200 0.026 0.000 0.593 2 K N 1.812 122.183 120.400 -0.050 0.000 2.326 2 K HA 0.485 4.805 4.320 -0.001 0.000 0.275 2 K C 0.741 177.304 176.600 -0.061 0.000 1.018 2 K CA -0.103 56.154 56.287 -0.050 0.000 0.962 2 K CB 0.730 33.189 32.500 -0.068 0.000 0.953 2 K HN 0.786 nan 8.250 nan 0.000 0.475 3 S N 1.264 116.941 115.700 -0.038 0.000 2.600 3 S HA 0.009 4.479 4.470 -0.001 0.000 0.265 3 S C 1.153 175.719 174.600 -0.055 0.000 1.325 3 S CA -0.450 57.725 58.200 -0.041 0.000 1.002 3 S CB 1.133 64.318 63.200 -0.025 0.000 0.921 3 S HN 0.565 nan 8.310 nan 0.000 0.554 4 T N 1.783 116.301 114.554 -0.059 0.000 2.720 4 T HA -0.107 4.242 4.350 -0.001 0.000 0.268 4 T C 2.145 176.816 174.700 -0.048 0.000 1.037 4 T CA 1.752 63.810 62.100 -0.069 0.000 1.144 4 T CB -0.974 67.848 68.868 -0.076 0.000 0.864 4 T HN 0.822 nan 8.240 nan 0.000 0.444 5 A N 1.389 124.191 122.820 -0.032 0.000 1.902 5 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 5 A C 2.187 179.779 177.584 0.012 0.000 1.181 5 A CA 1.684 53.715 52.037 -0.010 0.000 0.623 5 A CB -0.524 18.472 19.000 -0.007 0.000 0.818 5 A HN 0.571 nan 8.150 nan 0.000 0.443 6 E N -0.412 119.794 120.200 0.010 0.000 2.106 6 E HA -0.122 4.228 4.350 -0.001 0.000 0.192 6 E C 1.843 178.484 176.600 0.069 0.000 0.984 6 E CA 1.110 57.533 56.400 0.037 0.000 0.806 6 E CB -0.249 29.465 29.700 0.024 0.000 0.750 6 E HN 0.711 nan 8.360 nan 0.000 0.458 7 I N 0.679 121.261 120.570 0.020 0.000 2.252 7 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 7 I C 2.710 178.901 176.117 0.123 0.000 1.102 7 I CA 0.909 62.225 61.300 0.027 0.000 1.385 7 I CB -0.233 37.684 38.000 -0.138 0.000 1.064 7 I HN 0.036 nan 8.210 nan 0.000 0.414 8 R N 0.755 121.286 120.500 0.051 0.000 2.083 8 R HA -0.278 4.062 4.340 -0.001 0.000 0.237 8 R C 2.362 178.753 176.300 0.151 0.000 1.137 8 R CA 2.043 58.178 56.100 0.058 0.000 0.951 8 R CB -0.195 30.108 30.300 0.005 0.000 0.851 8 R HN 0.235 nan 8.270 nan 0.000 0.434 9 Q N 0.107 119.985 119.800 0.130 0.000 2.119 9 Q HA -0.021 4.319 4.340 -0.001 0.000 0.201 9 Q C 1.773 177.892 176.000 0.199 0.000 0.972 9 Q CA 1.953 57.840 55.803 0.140 0.000 0.847 9 Q CB -0.203 28.592 28.738 0.095 0.000 0.903 9 Q HN 0.442 nan 8.270 nan 0.000 0.433 10 A N -0.421 122.549 122.820 0.250 0.000 1.898 10 A HA -0.136 4.184 4.320 -0.001 0.000 0.216 10 A C 1.999 179.762 177.584 0.298 0.000 1.181 10 A CA 1.282 53.513 52.037 0.323 0.000 0.620 10 A CB -0.986 18.279 19.000 0.442 0.000 0.819 10 A HN 0.567 nan 8.150 nan 0.000 0.442 11 F N 0.651 120.709 119.950 0.180 0.000 2.095 11 F HA -0.173 4.354 4.527 -0.000 0.000 0.298 11 F C 1.908 177.802 175.800 0.156 0.000 1.104 11 F CA 1.927 59.983 58.000 0.093 0.000 1.232 11 F CB -0.209 38.836 39.000 0.075 0.000 0.987 11 F HN 0.146 nan 8.300 nan 0.000 0.475 12 L N -0.082 121.357 121.223 0.361 0.000 2.083 12 L HA -0.215 4.125 4.340 -0.001 0.000 0.209 12 L C 2.132 179.081 176.870 0.133 0.000 1.083 12 L CA 1.314 56.300 54.840 0.244 0.000 0.752 12 L CB -0.859 41.330 42.059 0.218 0.000 0.899 12 L HN 0.101 nan 8.230 nan 0.000 0.433 13 D N -0.206 120.275 120.400 0.135 0.000 2.117 13 D HA -0.219 4.420 4.640 -0.001 0.000 0.197 13 D C 1.887 178.228 176.300 0.068 0.000 0.987 13 D CA 1.165 55.249 54.000 0.140 0.000 0.829 13 D CB -0.222 40.693 40.800 0.192 0.000 0.961 13 D HN 0.202 nan 8.370 nan 0.000 0.460 14 F N 0.543 120.333 119.950 -0.266 0.000 2.069 14 F HA -0.239 4.288 4.527 -0.001 0.000 0.298 14 F C 2.042 177.386 175.800 -0.760 0.000 1.113 14 F CA 1.467 58.998 58.000 -0.781 0.000 1.214 14 F CB -0.426 37.755 39.000 -1.364 0.000 0.978 14 F HN -0.152 nan 8.300 nan 0.000 0.474 15 F N -0.516 119.115 119.950 -0.532 0.000 2.259 15 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 15 F C 2.531 178.122 175.800 -0.349 0.000 1.088 15 F CA 1.667 59.241 58.000 -0.710 0.000 1.358 15 F CB -1.131 37.364 39.000 -0.841 0.000 1.040 15 F HN 0.137 nan 8.300 nan 0.000 0.505 16 H N 0.009 119.023 119.070 -0.093 0.000 2.353 16 H HA -0.158 4.397 4.556 -0.001 0.000 0.300 16 H C 2.376 177.652 175.328 -0.087 0.000 1.090 16 H CA 1.916 57.944 56.048 -0.032 0.000 1.327 16 H CB -0.212 29.548 29.762 -0.004 0.000 1.383 16 H HN 0.160 nan 8.280 nan 0.000 0.508 17 S N -0.509 115.088 115.700 -0.171 0.000 2.447 17 S HA -0.061 4.408 4.470 -0.001 0.000 0.233 17 S C 1.386 175.805 174.600 -0.302 0.000 1.006 17 S CA 0.643 58.712 58.200 -0.217 0.000 0.957 17 S CB 0.000 63.127 63.200 -0.121 0.000 0.773 17 S HN 0.259 nan 8.310 nan 0.000 0.507 18 K N 1.134 121.289 120.400 -0.408 0.000 2.500 18 K HA 0.325 4.645 4.320 -0.001 0.000 0.206 18 K C 1.170 177.708 176.600 -0.104 0.000 1.034 18 K CA 0.405 56.493 56.287 -0.332 0.000 1.179 18 K CB -0.342 31.722 32.500 -0.726 0.000 0.884 18 K HN 0.560 nan 8.250 nan 0.000 0.493 19 G N 1.396 110.109 108.800 -0.145 0.000 2.143 19 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.249 19 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.249 19 G C -0.383 174.438 174.900 -0.131 0.000 0.981 19 G CA 0.081 45.092 45.100 -0.148 0.000 0.665 19 G HN 0.488 nan 8.290 nan 0.000 0.528 20 H N -0.049 118.951 119.070 -0.117 0.000 2.646 20 H HA 0.523 5.079 4.556 -0.001 0.000 0.325 20 H C 0.555 175.874 175.328 -0.015 0.000 1.075 20 H CA -0.058 55.967 56.048 -0.039 0.000 1.421 20 H CB 1.208 30.959 29.762 -0.018 0.000 1.461 20 H HN 0.332 nan 8.280 nan 0.000 0.525 21 Q N 2.562 122.363 119.800 0.003 0.000 2.271 21 Q HA 0.135 4.475 4.340 -0.001 0.000 0.273 21 Q C -0.969 175.008 176.000 -0.037 0.000 1.051 21 Q CA -0.203 55.532 55.803 -0.113 0.000 0.901 21 Q CB 0.328 28.706 28.738 -0.599 0.000 1.174 21 Q HN 0.506 nan 8.270 nan 0.000 0.385 22 V N 5.950 125.901 119.914 0.061 0.000 2.439 22 V HA 0.213 4.332 4.120 -0.001 0.000 0.271 22 V C -0.158 175.956 176.094 0.032 0.000 1.040 22 V CA -0.351 61.992 62.300 0.071 0.000 1.002 22 V CB 0.786 32.636 31.823 0.046 0.000 1.000 22 V HN 0.614 nan 8.190 nan 0.000 0.477 23 V N 4.512 124.485 119.914 0.099 0.000 2.513 23 V HA 0.701 4.821 4.120 -0.001 0.000 0.299 23 V C 0.588 176.762 176.094 0.133 0.000 1.035 23 V CA -0.765 61.613 62.300 0.131 0.000 0.889 23 V CB 1.783 33.777 31.823 0.285 0.000 0.988 23 V HN 0.974 nan 8.190 nan 0.000 0.440 24 A N 2.989 125.861 122.820 0.086 0.000 2.425 24 A HA 0.429 4.749 4.320 -0.001 0.000 0.242 24 A C 0.764 178.377 177.584 0.047 0.000 1.077 24 A CA 0.258 52.331 52.037 0.061 0.000 0.781 24 A CB 0.271 19.295 19.000 0.041 0.000 1.020 24 A HN 0.995 nan 8.150 nan 0.000 0.494 25 S N 0.993 116.715 115.700 0.036 0.000 2.558 25 S HA 0.256 4.725 4.470 -0.001 0.000 0.293 25 S C 0.910 175.500 174.600 -0.016 0.000 1.292 25 S CA 0.135 58.337 58.200 0.004 0.000 1.063 25 S CB -0.274 62.922 63.200 -0.007 0.000 0.831 25 S HN 1.636 nan 8.310 nan 0.000 0.499 26 S N 4.081 119.748 115.700 -0.054 0.000 2.634 26 S HA 0.409 4.878 4.470 -0.001 0.000 0.261 26 S C 0.488 175.081 174.600 -0.011 0.000 1.271 26 S CA -0.470 57.698 58.200 -0.053 0.000 0.985 26 S CB 0.958 64.098 63.200 -0.100 0.000 0.968 26 S HN 0.860 nan 8.310 nan 0.000 0.568 27 S N -0.513 115.195 115.700 0.013 0.000 2.589 27 S HA 0.188 4.658 4.470 -0.001 0.000 0.265 27 S C 1.050 175.683 174.600 0.054 0.000 1.342 27 S CA -0.630 57.601 58.200 0.050 0.000 1.005 27 S CB -0.403 62.835 63.200 0.063 0.000 0.909 27 S HN 0.639 nan 8.310 nan 0.000 0.555 28 L N 2.119 123.393 121.223 0.084 0.000 2.478 28 L HA 0.172 4.512 4.340 -0.001 0.000 0.223 28 L C -0.289 176.698 176.870 0.196 0.000 1.140 28 L CA 0.145 55.045 54.840 0.099 0.000 0.842 28 L CB 0.124 42.222 42.059 0.065 0.000 0.953 28 L HN 0.343 nan 8.230 nan 0.000 0.452 29 V N 1.193 121.211 119.914 0.174 0.000 2.376 29 V HA 0.320 4.440 4.120 -0.001 0.000 0.287 29 V C -2.074 174.102 176.094 0.136 0.000 1.015 29 V CA -1.534 60.888 62.300 0.203 0.000 0.834 29 V CB 1.293 33.239 31.823 0.205 0.000 1.001 29 V HN -0.010 nan 8.190 nan 0.000 0.428 30 P HA 0.220 nan 4.420 nan 0.000 0.275 30 P C -0.030 177.331 177.300 0.102 0.000 1.228 30 P CA -0.011 63.141 63.100 0.088 0.000 0.786 30 P CB 1.453 33.188 31.700 0.058 0.000 0.927 31 H N 1.660 120.741 119.070 0.018 0.000 2.553 31 H HA 0.187 4.742 4.556 -0.001 0.000 0.276 31 H C 0.564 175.897 175.328 0.008 0.000 0.979 31 H CA 0.719 56.776 56.048 0.014 0.000 1.268 31 H CB 0.508 30.276 29.762 0.010 0.000 1.450 31 H HN 0.275 nan 8.280 nan 0.000 0.527 32 N N 0.703 119.444 118.700 0.069 0.000 2.497 32 N HA 0.058 4.798 4.740 -0.001 0.000 0.284 32 N C -1.208 174.309 175.510 0.012 0.000 1.459 32 N CA 0.124 53.191 53.050 0.029 0.000 0.899 32 N CB 1.101 39.635 38.487 0.079 0.000 1.316 32 N HN 0.264 nan 8.380 nan 0.000 0.500 33 D N 0.931 121.331 120.400 0.001 0.000 2.336 33 D HA 0.209 4.848 4.640 -0.001 0.000 0.248 33 D C -1.784 174.509 176.300 -0.012 0.000 1.326 33 D CA -1.439 52.564 54.000 0.005 0.000 0.973 33 D CB 1.983 42.797 40.800 0.024 0.000 1.255 33 D HN -0.021 nan 8.370 nan 0.000 0.558 34 P HA -0.055 nan 4.420 nan 0.000 0.226 34 P C 1.080 178.364 177.300 -0.026 0.000 1.153 34 P CA 0.728 63.810 63.100 -0.031 0.000 0.777 34 P CB 0.049 31.732 31.700 -0.029 0.000 0.794 35 T N -3.544 111.002 114.554 -0.014 0.000 3.100 35 T HA 0.133 4.483 4.350 -0.001 0.000 0.253 35 T C 0.508 175.199 174.700 -0.016 0.000 1.118 35 T CA -0.154 61.938 62.100 -0.013 0.000 1.058 35 T CB -0.418 68.450 68.868 -0.000 0.000 0.953 35 T HN -0.076 nan 8.240 nan 0.000 0.515 36 L N 1.665 122.878 121.223 -0.016 0.000 2.319 36 L HA 0.554 4.894 4.340 -0.001 0.000 0.281 36 L C 0.618 177.448 176.870 -0.066 0.000 1.005 36 L CA -1.046 53.788 54.840 -0.010 0.000 0.828 36 L CB 1.471 43.549 42.059 0.032 0.000 1.227 36 L HN 0.044 nan 8.230 nan 0.000 0.415 37 L N 5.204 126.348 121.223 -0.132 0.000 1.961 37 L HA 0.248 4.588 4.340 -0.001 0.000 0.209 37 L C -0.265 176.310 176.870 -0.491 0.000 1.075 37 L CA 1.774 56.388 54.840 -0.377 0.000 0.749 37 L CB -0.110 41.684 42.059 -0.442 0.000 0.890 37 L HN 0.490 nan 8.230 nan 0.000 0.433 38 F N -1.393 118.596 119.950 0.066 0.000 2.593 38 F HA 0.378 4.905 4.527 -0.000 0.000 0.320 38 F C 0.418 176.252 175.800 0.056 0.000 1.060 38 F CA -1.310 56.727 58.000 0.062 0.000 0.940 38 F CB 0.614 39.656 39.000 0.070 0.000 1.268 38 F HN -0.395 nan 8.300 nan 0.000 0.475 39 T N 2.022 116.722 114.554 0.242 0.000 2.792 39 T HA 0.043 4.393 4.350 -0.001 0.000 0.286 39 T C 0.801 175.556 174.700 0.091 0.000 0.970 39 T CA 0.177 62.348 62.100 0.118 0.000 1.187 39 T CB -0.193 68.699 68.868 0.040 0.000 0.915 39 T HN 0.648 nan 8.240 nan 0.000 0.529 40 N N 1.233 120.011 118.700 0.130 0.000 2.171 40 N HA 0.397 5.137 4.740 -0.001 0.000 0.212 40 N C -0.251 175.340 175.510 0.135 0.000 1.184 40 N CA -0.432 52.711 53.050 0.155 0.000 0.888 40 N CB 0.791 39.452 38.487 0.290 0.000 1.038 40 N HN 0.610 nan 8.380 nan 0.000 0.517 41 A N -1.378 121.505 122.820 0.105 0.000 2.605 41 A HA 0.681 5.001 4.320 -0.001 0.000 0.294 41 A C 0.923 178.550 177.584 0.073 0.000 1.062 41 A CA -0.476 51.612 52.037 0.086 0.000 0.682 41 A CB 0.564 19.678 19.000 0.189 0.000 1.278 41 A HN 0.029 nan 8.150 nan 0.000 0.410 42 G N 0.592 109.452 108.800 0.101 0.000 2.450 42 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.220 42 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.220 42 G C 1.183 176.254 174.900 0.285 0.000 1.130 42 G CA 1.968 47.218 45.100 0.250 0.000 0.760 42 G HN 1.227 nan 8.290 nan 0.000 0.557 43 M N 0.068 119.874 119.600 0.342 0.000 2.476 43 M HA 0.218 4.697 4.480 -0.001 0.000 0.262 43 M C 1.520 177.990 176.300 0.283 0.000 1.079 43 M CA 0.982 56.523 55.300 0.401 0.000 1.104 43 M CB -1.050 31.826 32.600 0.459 0.000 1.409 43 M HN 0.183 nan 8.290 nan 0.000 0.467 44 N N 1.452 120.252 118.700 0.166 0.000 2.060 44 N HA -0.275 4.465 4.740 -0.001 0.000 0.195 44 N C 1.709 177.213 175.510 -0.009 0.000 1.028 44 N CA 1.834 54.951 53.050 0.111 0.000 0.861 44 N CB -0.377 38.159 38.487 0.082 0.000 1.029 44 N HN 0.809 nan 8.380 nan 0.000 0.428 45 Q N -0.194 119.477 119.800 -0.216 0.000 2.488 45 Q HA -0.038 4.302 4.340 -0.001 0.000 0.211 45 Q C 0.312 175.989 176.000 -0.539 0.000 0.967 45 Q CA 0.998 56.554 55.803 -0.411 0.000 0.926 45 Q CB 0.003 28.397 28.738 -0.574 0.000 0.992 45 Q HN 0.375 nan 8.270 nan 0.000 0.506 46 F N 0.457 120.374 119.950 -0.055 0.000 2.661 46 F HA 0.344 4.870 4.527 -0.001 0.000 0.306 46 F C 1.724 177.525 175.800 0.001 0.000 1.094 46 F CA -0.783 57.118 58.000 -0.165 0.000 1.254 46 F CB 0.298 39.133 39.000 -0.275 0.000 1.040 46 F HN -0.006 nan 8.300 nan 0.000 0.562 47 K N 0.939 121.491 120.400 0.254 0.000 2.034 47 K HA -0.235 4.084 4.320 -0.001 0.000 0.214 47 K C 1.150 177.880 176.600 0.216 0.000 1.051 47 K CA 2.362 58.835 56.287 0.310 0.000 0.931 47 K CB -0.127 32.487 32.500 0.189 0.000 0.715 47 K HN 0.087 nan 8.250 nan 0.000 0.446 48 D N 0.092 120.541 120.400 0.082 0.000 2.264 48 D HA -0.088 4.552 4.640 -0.001 0.000 0.208 48 D C 1.879 178.156 176.300 -0.038 0.000 0.966 48 D CA 0.641 54.658 54.000 0.027 0.000 0.864 48 D CB 0.092 40.886 40.800 -0.010 0.000 0.933 48 D HN 0.082 nan 8.370 nan 0.000 0.499 49 V N 0.456 120.285 119.914 -0.142 0.000 2.307 49 V HA -0.208 3.912 4.120 -0.001 0.000 0.245 49 V C 2.047 178.002 176.094 -0.231 0.000 1.045 49 V CA 1.164 63.247 62.300 -0.362 0.000 1.024 49 V CB -0.620 30.686 31.823 -0.862 0.000 0.651 49 V HN 0.058 nan 8.190 nan 0.000 0.449 50 F N 0.016 119.989 119.950 0.038 0.000 2.202 50 F HA -0.110 4.416 4.527 -0.001 0.000 0.301 50 F C 2.055 177.895 175.800 0.067 0.000 1.082 50 F CA 1.259 59.329 58.000 0.117 0.000 1.313 50 F CB -0.680 38.428 39.000 0.180 0.000 1.024 50 F HN 0.060 nan 8.300 nan 0.000 0.495 51 L N -0.882 120.469 121.223 0.214 0.000 2.478 51 L HA 0.112 4.452 4.340 -0.001 0.000 0.223 51 L C 1.871 178.781 176.870 0.066 0.000 1.140 51 L CA 0.786 55.704 54.840 0.130 0.000 0.842 51 L CB -0.914 41.208 42.059 0.105 0.000 0.953 51 L HN 0.388 nan 8.230 nan 0.000 0.452 52 G N -0.069 108.748 108.800 0.027 0.000 2.143 52 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.248 52 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.248 52 G C 0.712 175.596 174.900 -0.026 0.000 0.991 52 G CA 0.394 45.486 45.100 -0.013 0.000 0.689 52 G HN 0.344 nan 8.290 nan 0.000 0.522 53 L N -0.536 120.672 121.223 -0.025 0.000 2.416 53 L HA 0.323 4.663 4.340 -0.001 0.000 0.216 53 L C 0.870 177.708 176.870 -0.054 0.000 1.098 53 L CA 0.668 55.492 54.840 -0.027 0.000 0.840 53 L CB 0.282 42.337 42.059 -0.008 0.000 0.981 53 L HN 0.261 nan 8.230 nan 0.000 0.462 54 D N 0.579 120.926 120.400 -0.088 0.000 2.502 54 D HA 0.258 4.897 4.640 -0.001 0.000 0.249 54 D C -0.874 175.315 176.300 -0.185 0.000 1.092 54 D CA -0.441 53.486 54.000 -0.122 0.000 0.839 54 D CB 1.638 42.364 40.800 -0.123 0.000 1.264 54 D HN -0.200 nan 8.370 nan 0.000 0.511 55 K N 3.026 123.321 120.400 -0.176 0.000 2.221 55 K HA 0.508 4.828 4.320 -0.001 0.000 0.258 55 K C -0.415 176.023 176.600 -0.270 0.000 0.944 55 K CA -0.822 55.335 56.287 -0.217 0.000 0.823 55 K CB 0.992 33.403 32.500 -0.149 0.000 1.113 55 K HN 0.299 nan 8.250 nan 0.000 0.431 56 R N 1.972 122.234 120.500 -0.397 0.000 2.828 56 R HA 0.265 4.605 4.340 -0.001 0.000 0.264 56 R C 0.370 176.407 176.300 -0.437 0.000 1.022 56 R CA -0.869 54.899 56.100 -0.552 0.000 1.021 56 R CB 0.587 30.236 30.300 -1.085 0.000 1.163 56 R HN 0.652 nan 8.270 nan 0.000 0.494 57 N N 0.519 118.993 118.700 -0.376 0.000 2.515 57 N HA -0.025 4.715 4.740 -0.001 0.000 0.185 57 N C -0.300 175.192 175.510 -0.031 0.000 1.109 57 N CA 0.619 53.592 53.050 -0.129 0.000 0.903 57 N CB -0.034 38.455 38.487 0.003 0.000 0.969 57 N HN 0.435 nan 8.380 nan 0.000 0.450 58 Y N -2.228 118.086 120.300 0.024 0.000 2.509 58 Y HA 0.570 5.120 4.550 -0.000 0.000 0.341 58 Y C 0.976 176.930 175.900 0.091 0.000 1.038 58 Y CA -1.392 56.736 58.100 0.047 0.000 1.089 58 Y CB 0.924 39.425 38.460 0.067 0.000 1.241 58 Y HN -0.121 nan 8.280 nan 0.000 0.468 59 S N 0.530 116.370 115.700 0.233 0.000 2.559 59 S HA 0.340 4.809 4.470 -0.001 0.000 0.226 59 S C -0.025 174.633 174.600 0.097 0.000 1.000 59 S CA -0.530 57.784 58.200 0.190 0.000 0.948 59 S CB -0.276 62.965 63.200 0.068 0.000 0.870 59 S HN 0.818 nan 8.310 nan 0.000 0.497 60 R N -0.134 120.419 120.500 0.089 0.000 2.626 60 R HA 0.873 5.213 4.340 -0.001 0.000 0.274 60 R C -1.305 174.987 176.300 -0.012 0.000 1.031 60 R CA -0.875 55.122 56.100 -0.172 0.000 0.898 60 R CB 1.343 31.393 30.300 -0.415 0.000 1.222 60 R HN 0.133 nan 8.270 nan 0.000 0.455 61 A N 0.865 123.709 122.820 0.041 0.000 2.594 61 A HA 0.812 5.132 4.320 -0.001 0.000 0.291 61 A C -1.274 176.470 177.584 0.267 0.000 1.105 61 A CA -0.763 51.352 52.037 0.131 0.000 0.694 61 A CB 2.464 21.503 19.000 0.064 0.000 1.291 61 A HN 0.701 nan 8.150 nan 0.000 0.410 62 T N 0.267 114.963 114.554 0.238 0.000 2.952 62 T HA 0.739 5.088 4.350 -0.001 0.000 0.305 62 T C -0.767 174.125 174.700 0.321 0.000 1.064 62 T CA 0.402 62.617 62.100 0.192 0.000 1.008 62 T CB 1.257 70.142 68.868 0.028 0.000 1.078 62 T HN 1.907 nan 8.240 nan 0.000 0.459 63 T N 0.404 115.195 114.554 0.396 0.000 2.883 63 T HA 0.687 5.037 4.350 -0.001 0.000 0.301 63 T C -0.803 174.005 174.700 0.179 0.000 1.158 63 T CA -0.808 61.485 62.100 0.322 0.000 1.007 63 T CB 1.796 70.914 68.868 0.416 0.000 1.186 63 T HN 0.498 nan 8.240 nan 0.000 0.499 64 S N 1.254 117.005 115.700 0.086 0.000 2.532 64 S HA 0.418 4.888 4.470 -0.001 0.000 0.318 64 S C -0.646 173.920 174.600 -0.057 0.000 1.083 64 S CA -0.545 57.631 58.200 -0.039 0.000 1.131 64 S CB 0.278 63.448 63.200 -0.050 0.000 0.973 64 S HN 0.777 nan 8.310 nan 0.000 0.468 65 Q N 4.212 123.958 119.800 -0.091 0.000 2.278 65 Q HA 0.363 4.703 4.340 -0.001 0.000 0.257 65 Q C 0.023 175.843 176.000 -0.299 0.000 0.928 65 Q CA -0.632 55.095 55.803 -0.126 0.000 0.932 65 Q CB 0.727 29.430 28.738 -0.059 0.000 1.221 65 Q HN 0.769 nan 8.270 nan 0.000 0.434 66 R N 2.051 122.353 120.500 -0.329 0.000 2.442 66 R HA 0.503 4.842 4.340 -0.001 0.000 0.291 66 R C -0.919 175.006 176.300 -0.626 0.000 1.069 66 R CA -0.376 55.355 56.100 -0.614 0.000 1.022 66 R CB 0.208 30.215 30.300 -0.488 0.000 0.976 66 R HN 0.533 nan 8.270 nan 0.000 0.443 67 C N 2.673 121.389 119.300 -0.973 0.000 2.634 67 C HA 0.601 5.061 4.460 -0.001 0.000 0.313 67 C C -0.506 174.081 174.990 -0.671 0.000 1.198 67 C CA -0.765 57.786 59.018 -0.778 0.000 1.605 67 C CB 1.957 29.059 27.740 -1.064 0.000 2.196 67 C HN 0.695 nan 8.230 nan 0.000 0.486 68 V N 2.818 122.597 119.914 -0.226 0.000 2.483 68 V HA 0.503 4.623 4.120 -0.001 0.000 0.297 68 V C -0.248 175.967 176.094 0.201 0.000 1.027 68 V CA -0.453 61.857 62.300 0.018 0.000 0.855 68 V CB 1.592 33.415 31.823 0.000 0.000 0.995 68 V HN 0.828 nan 8.190 nan 0.000 0.424 69 R N 3.829 124.522 120.500 0.322 0.000 2.396 69 R HA 0.652 4.992 4.340 -0.001 0.000 0.292 69 R C 0.220 176.700 176.300 0.299 0.000 1.240 69 R CA -0.084 56.231 56.100 0.358 0.000 1.270 69 R CB 1.349 31.920 30.300 0.453 0.000 1.108 69 R HN 0.782 nan 8.270 nan 0.000 0.573 70 A N 0.982 123.974 122.820 0.286 0.000 2.592 70 A HA 0.503 4.823 4.320 -0.001 0.000 0.290 70 A C 0.174 177.881 177.584 0.205 0.000 0.998 70 A CA -0.078 52.097 52.037 0.229 0.000 0.983 70 A CB 1.017 20.144 19.000 0.212 0.000 1.240 70 A HN 0.687 nan 8.150 nan 0.000 0.535 71 G N -2.532 106.381 108.800 0.189 0.000 2.356 71 G HA2 0.613 4.573 3.960 -0.001 0.000 0.294 71 G HA3 0.613 4.573 3.960 -0.001 0.000 0.294 71 G C 0.373 175.321 174.900 0.080 0.000 1.423 71 G CA 0.578 45.744 45.100 0.110 0.000 0.806 71 G HN 1.952 nan 8.290 nan 0.000 0.527 72 G N 0.157 108.971 108.800 0.024 0.000 2.528 72 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.262 72 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.262 72 G C 1.225 176.106 174.900 -0.032 0.000 1.200 72 G CA 1.196 46.292 45.100 -0.006 0.000 0.951 72 G HN 1.682 nan 8.290 nan 0.000 0.566 73 K N 0.141 120.489 120.400 -0.087 0.000 2.057 73 K HA -0.030 4.290 4.320 -0.001 0.000 0.207 73 K C 1.030 177.401 176.600 -0.382 0.000 1.049 73 K CA 2.056 58.177 56.287 -0.277 0.000 0.931 73 K CB -0.159 32.095 32.500 -0.410 0.000 0.714 73 K HN 0.618 nan 8.250 nan 0.000 0.440 74 H N 0.233 119.347 119.070 0.073 0.000 2.685 74 H HA 0.266 4.822 4.556 -0.000 0.000 0.307 74 H C -1.088 174.328 175.328 0.147 0.000 1.017 74 H CA -0.702 55.420 56.048 0.124 0.000 1.237 74 H CB 0.834 30.713 29.762 0.195 0.000 1.409 74 H HN 0.071 nan 8.280 nan 0.000 0.488 75 N N 2.619 121.439 118.700 0.200 0.000 2.504 75 N HA 0.088 4.828 4.740 -0.001 0.000 0.280 75 N C -0.529 175.060 175.510 0.131 0.000 1.052 75 N CA -0.401 52.747 53.050 0.164 0.000 0.887 75 N CB 1.192 39.741 38.487 0.104 0.000 1.323 75 N HN 0.414 nan 8.380 nan 0.000 0.509 76 D N 3.141 123.635 120.400 0.156 0.000 2.440 76 D HA 0.009 4.649 4.640 -0.001 0.000 0.216 76 D C 1.642 178.005 176.300 0.104 0.000 1.150 76 D CA -0.207 53.849 54.000 0.093 0.000 0.832 76 D CB 0.783 41.672 40.800 0.149 0.000 0.992 76 D HN 0.406 nan 8.370 nan 0.000 0.502 77 L N 1.540 122.840 121.223 0.128 0.000 2.043 77 L HA -0.180 4.160 4.340 -0.001 0.000 0.212 77 L C 1.695 178.648 176.870 0.139 0.000 1.075 77 L CA 1.962 56.890 54.840 0.146 0.000 0.752 77 L CB -0.156 41.968 42.059 0.108 0.000 0.891 77 L HN -0.145 nan 8.230 nan 0.000 0.432 78 E N -0.506 119.736 120.200 0.070 0.000 2.482 78 E HA -0.058 4.292 4.350 -0.001 0.000 0.196 78 E C 1.583 178.193 176.600 0.016 0.000 1.047 78 E CA 0.304 56.727 56.400 0.038 0.000 0.869 78 E CB -0.405 29.276 29.700 -0.033 0.000 0.836 78 E HN 0.628 nan 8.360 nan 0.000 0.520 79 N N 0.356 119.059 118.700 0.005 0.000 2.415 79 N HA -0.022 4.717 4.740 -0.001 0.000 0.176 79 N C 0.381 176.006 175.510 0.190 0.000 1.042 79 N CA 0.125 53.165 53.050 -0.017 0.000 0.902 79 N CB 0.551 38.798 38.487 -0.400 0.000 0.986 79 N HN -0.035 nan 8.380 nan 0.000 0.447 80 V N 0.873 120.918 119.914 0.218 0.000 2.540 80 V HA 0.223 4.343 4.120 -0.001 0.000 0.297 80 V C 1.520 177.679 176.094 0.109 0.000 1.024 80 V CA 0.962 63.392 62.300 0.216 0.000 1.105 80 V CB 0.382 32.365 31.823 0.266 0.000 0.938 80 V HN 0.597 nan 8.190 nan 0.000 0.482 81 G N 4.027 112.803 108.800 -0.041 0.000 2.253 81 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.251 81 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.251 81 G C 0.443 175.143 174.900 -0.333 0.000 0.998 81 G CA 0.713 45.637 45.100 -0.292 0.000 0.621 81 G HN 0.730 nan 8.290 nan 0.000 0.524 82 Y N 1.408 121.693 120.300 -0.026 0.000 2.481 82 Y HA 0.388 4.938 4.550 -0.001 0.000 0.258 82 Y C 1.881 177.796 175.900 0.026 0.000 1.103 82 Y CA 1.163 59.256 58.100 -0.011 0.000 1.287 82 Y CB 0.801 39.256 38.460 -0.009 0.000 1.108 82 Y HN 0.520 nan 8.280 nan 0.000 0.529 83 T N -3.744 110.928 114.554 0.197 0.000 2.887 83 T HA 0.689 5.038 4.350 -0.001 0.000 0.292 83 T C 0.682 175.462 174.700 0.134 0.000 1.087 83 T CA -0.419 61.789 62.100 0.180 0.000 1.009 83 T CB 1.866 70.916 68.868 0.303 0.000 1.203 83 T HN -0.055 nan 8.240 nan 0.000 0.518 84 A N 0.390 123.255 122.820 0.076 0.000 2.251 84 A HA 0.245 4.564 4.320 -0.001 0.000 0.209 84 A C 1.940 179.463 177.584 -0.102 0.000 1.187 84 A CA 0.361 52.433 52.037 0.059 0.000 0.823 84 A CB -0.541 18.459 19.000 0.001 0.000 0.846 84 A HN 0.881 nan 8.150 nan 0.000 0.486 85 R N -1.700 118.688 120.500 -0.187 0.000 2.469 85 R HA 0.224 4.564 4.340 -0.001 0.000 0.250 85 R C -0.650 175.256 176.300 -0.658 0.000 0.909 85 R CA -0.227 55.623 56.100 -0.418 0.000 1.050 85 R CB -0.126 29.951 30.300 -0.372 0.000 1.256 85 R HN 0.453 nan 8.270 nan 0.000 0.550 86 H N 1.198 120.055 119.070 -0.355 0.000 2.467 86 H HA 0.436 4.991 4.556 -0.000 0.000 0.326 86 H C -0.636 174.482 175.328 -0.349 0.000 1.094 86 H CA -0.422 55.435 56.048 -0.318 0.000 1.253 86 H CB 0.929 30.641 29.762 -0.082 0.000 1.439 86 H HN 0.112 nan 8.280 nan 0.000 0.479 87 H N 0.152 119.290 119.070 0.113 0.000 2.834 87 H HA 0.139 4.694 4.556 -0.001 0.000 0.369 87 H C 0.818 176.335 175.328 0.315 0.000 1.174 87 H CA -0.372 55.816 56.048 0.233 0.000 1.165 87 H CB 1.689 31.611 29.762 0.267 0.000 1.820 87 H HN 0.759 nan 8.280 nan 0.000 0.558 88 T N -1.391 113.471 114.554 0.514 0.000 2.770 88 T HA -0.009 4.340 4.350 -0.001 0.000 0.258 88 T C 0.800 175.796 174.700 0.493 0.000 1.039 88 T CA 0.420 62.777 62.100 0.429 0.000 1.143 88 T CB -0.081 68.976 68.868 0.316 0.000 0.866 88 T HN 0.293 nan 8.240 nan 0.000 0.428 89 F N 3.231 123.373 119.950 0.321 0.000 2.408 89 F HA 0.563 5.090 4.527 -0.001 0.000 0.344 89 F C -0.957 175.012 175.800 0.282 0.000 1.112 89 F CA -1.959 56.139 58.000 0.163 0.000 1.096 89 F CB 0.922 39.937 39.000 0.026 0.000 1.129 89 F HN 0.333 nan 8.300 nan 0.000 0.486 90 F N 1.934 121.550 119.950 -0.558 0.000 2.741 90 F HA 0.564 5.091 4.527 -0.001 0.000 0.313 90 F C -1.839 173.618 175.800 -0.573 0.000 1.153 90 F CA -1.259 56.531 58.000 -0.350 0.000 0.931 90 F CB 1.120 40.117 39.000 -0.006 0.000 1.335 90 F HN 0.339 nan 8.300 nan 0.000 0.460 91 E N 1.939 121.976 120.200 -0.270 0.000 2.179 91 E HA 0.485 4.835 4.350 -0.001 0.000 0.275 91 E C -1.170 175.317 176.600 -0.188 0.000 0.945 91 E CA -0.972 55.219 56.400 -0.349 0.000 0.792 91 E CB 2.195 31.746 29.700 -0.249 0.000 1.125 91 E HN 0.544 nan 8.360 nan 0.000 0.397 92 M N 3.503 122.949 119.600 -0.257 0.000 2.129 92 M HA 0.299 4.778 4.480 -0.001 0.000 0.348 92 M C -0.717 175.387 176.300 -0.327 0.000 1.116 92 M CA -0.574 54.598 55.300 -0.214 0.000 1.022 92 M CB 0.813 33.327 32.600 -0.143 0.000 1.599 92 M HN 0.290 nan 8.290 nan 0.000 0.449 93 L N 3.492 124.370 121.223 -0.575 0.000 2.283 93 L HA 0.539 4.878 4.340 -0.001 0.000 0.287 93 L C 0.573 176.900 176.870 -0.904 0.000 1.073 93 L CA -0.472 53.729 54.840 -1.064 0.000 0.822 93 L CB 0.298 41.225 42.059 -1.887 0.000 1.186 93 L HN 0.772 nan 8.230 nan 0.000 0.436 94 G N 3.082 111.661 108.800 -0.368 0.000 2.482 94 G HA2 0.487 4.446 3.960 -0.001 0.000 0.317 94 G HA3 0.487 4.446 3.960 -0.001 0.000 0.317 94 G C -1.158 173.457 174.900 -0.475 0.000 1.241 94 G CA -0.620 44.266 45.100 -0.357 0.000 0.967 94 G HN 0.615 nan 8.290 nan 0.000 0.482 95 N N -0.183 118.017 118.700 -0.834 0.000 2.272 95 N HA 0.676 5.415 4.740 -0.001 0.000 0.305 95 N C -1.758 173.145 175.510 -1.011 0.000 1.103 95 N CA -0.601 51.835 53.050 -1.023 0.000 0.791 95 N CB 2.373 39.906 38.487 -1.590 0.000 1.356 95 N HN 0.232 nan 8.380 nan 0.000 0.486 96 F N -0.409 119.428 119.950 -0.189 0.000 2.569 96 F HA 0.408 4.935 4.527 -0.000 0.000 0.312 96 F C 0.269 175.662 175.800 -0.678 0.000 1.109 96 F CA -0.900 56.861 58.000 -0.399 0.000 0.919 96 F CB 2.312 40.913 39.000 -0.665 0.000 1.211 96 F HN 0.459 nan 8.300 nan 0.000 0.446 97 S N 3.084 118.469 115.700 -0.525 0.000 2.530 97 S HA 0.605 5.075 4.470 -0.001 0.000 0.322 97 S C -1.097 173.192 174.600 -0.519 0.000 1.085 97 S CA -0.452 57.318 58.200 -0.716 0.000 1.096 97 S CB -0.015 62.556 63.200 -1.049 0.000 0.988 97 S HN 0.471 nan 8.310 nan 0.000 0.466 98 F N 3.678 123.530 119.950 -0.163 0.000 2.359 98 F HA 0.425 4.952 4.527 -0.000 0.000 0.355 98 F C 1.577 177.302 175.800 -0.125 0.000 1.132 98 F CA -0.330 57.562 58.000 -0.180 0.000 1.246 98 F CB 0.550 39.385 39.000 -0.276 0.000 1.569 98 F HN 0.898 nan 8.300 nan 0.000 0.561 99 G N 1.113 109.931 108.800 0.030 0.000 2.249 99 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.273 99 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.273 99 G C 0.280 175.152 174.900 -0.047 0.000 1.036 99 G CA 0.559 45.643 45.100 -0.028 0.000 0.824 99 G HN 0.550 nan 8.290 nan 0.000 0.504 100 D N -0.500 119.843 120.400 -0.094 0.000 2.825 100 D HA 0.266 4.906 4.640 -0.001 0.000 0.249 100 D C 1.314 177.616 176.300 0.004 0.000 1.286 100 D CA 0.403 54.365 54.000 -0.063 0.000 1.168 100 D CB 0.108 40.840 40.800 -0.114 0.000 0.926 100 D HN 0.420 nan 8.370 nan 0.000 0.216 101 Y N -0.809 119.548 120.300 0.096 0.000 2.295 101 Y HA 0.473 5.023 4.550 -0.000 0.000 0.331 101 Y C -0.056 175.995 175.900 0.251 0.000 1.311 101 Y CA -0.985 57.195 58.100 0.134 0.000 1.430 101 Y CB 0.328 38.870 38.460 0.137 0.000 1.339 101 Y HN 0.113 nan 8.280 nan 0.000 0.552 102 F N 0.138 120.199 119.950 0.185 0.000 3.255 102 F HA 0.435 4.962 4.527 -0.001 0.000 0.204 102 F C 1.414 177.252 175.800 0.064 0.000 1.613 102 F CA -1.384 56.658 58.000 0.070 0.000 0.925 102 F CB 0.313 39.290 39.000 -0.038 0.000 1.893 102 F HN 0.484 nan 8.300 nan 0.000 0.306 103 K N 0.282 120.299 120.400 -0.638 0.000 1.991 103 K HA -0.162 4.158 4.320 -0.001 0.000 0.212 103 K C 1.704 178.077 176.600 -0.378 0.000 1.049 103 K CA 2.035 57.799 56.287 -0.872 0.000 0.932 103 K CB -0.710 31.055 32.500 -1.225 0.000 0.717 103 K HN 0.307 nan 8.250 nan 0.000 0.441 104 L N 2.082 123.133 121.223 -0.286 0.000 1.994 104 L HA -0.192 4.148 4.340 -0.001 0.000 0.208 104 L C 1.626 178.333 176.870 -0.272 0.000 1.071 104 L CA 1.973 56.650 54.840 -0.272 0.000 0.745 104 L CB -0.559 41.374 42.059 -0.210 0.000 0.892 104 L HN 0.160 nan 8.230 nan 0.000 0.431 105 D N -0.406 119.863 120.400 -0.218 0.000 2.178 105 D HA -0.098 4.541 4.640 -0.001 0.000 0.202 105 D C 2.124 178.180 176.300 -0.407 0.000 0.974 105 D CA 1.274 55.015 54.000 -0.431 0.000 0.841 105 D CB 0.080 40.599 40.800 -0.469 0.000 0.953 105 D HN 0.513 nan 8.370 nan 0.000 0.478 106 A N 1.017 123.850 122.820 0.021 0.000 1.877 106 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 106 A C 2.339 179.916 177.584 -0.011 0.000 1.186 106 A CA 0.884 53.053 52.037 0.220 0.000 0.620 106 A CB -0.666 18.546 19.000 0.354 0.000 0.822 106 A HN 0.167 nan 8.150 nan 0.000 0.443 107 I N -0.385 120.080 120.570 -0.175 0.000 2.252 107 I HA -0.230 3.939 4.170 -0.001 0.000 0.245 107 I C 2.344 178.279 176.117 -0.303 0.000 1.102 107 I CA 0.945 62.014 61.300 -0.386 0.000 1.385 107 I CB -0.248 37.283 38.000 -0.783 0.000 1.064 107 I HN 0.299 nan 8.210 nan 0.000 0.414 108 L N -0.429 120.617 121.223 -0.295 0.000 2.056 108 L HA -0.204 4.135 4.340 -0.001 0.000 0.207 108 L C 2.527 179.358 176.870 -0.064 0.000 1.078 108 L CA 1.548 56.268 54.840 -0.200 0.000 0.749 108 L CB -0.650 41.222 42.059 -0.311 0.000 0.901 108 L HN 0.157 nan 8.230 nan 0.000 0.433 109 F N 0.087 119.997 119.950 -0.067 0.000 2.095 109 F HA -0.310 4.217 4.527 -0.001 0.000 0.298 109 F C 2.683 178.435 175.800 -0.081 0.000 1.104 109 F CA 0.836 58.833 58.000 -0.005 0.000 1.232 109 F CB -0.338 38.730 39.000 0.114 0.000 0.987 109 F HN 0.079 nan 8.300 nan 0.000 0.475 110 A N 0.079 122.908 122.820 0.014 0.000 1.877 110 A HA -0.254 4.065 4.320 -0.001 0.000 0.216 110 A C 2.111 179.672 177.584 -0.037 0.000 1.186 110 A CA 1.315 53.119 52.037 -0.388 0.000 0.620 110 A CB -1.492 16.928 19.000 -0.966 0.000 0.822 110 A HN 0.712 nan 8.150 nan 0.000 0.443 111 W N 0.153 121.404 121.300 -0.083 0.000 2.358 111 W HA -0.184 4.476 4.660 -0.001 0.000 0.303 111 W C 1.804 178.323 176.519 0.000 0.000 1.208 111 W CA 1.731 59.102 57.345 0.043 0.000 1.274 111 W CB -0.224 29.287 29.460 0.085 0.000 1.138 111 W HN 0.358 nan 8.180 nan 0.000 0.515 112 L N 1.110 122.357 121.223 0.040 0.000 1.994 112 L HA -0.233 4.106 4.340 -0.001 0.000 0.208 112 L C 2.559 179.240 176.870 -0.315 0.000 1.071 112 L CA 1.924 56.730 54.840 -0.057 0.000 0.745 112 L CB -1.492 40.619 42.059 0.087 0.000 0.892 112 L HN 0.033 nan 8.230 nan 0.000 0.431 113 L N -0.967 119.829 121.223 -0.712 0.000 2.046 113 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 113 L C 2.263 178.795 176.870 -0.564 0.000 1.077 113 L CA 1.846 55.961 54.840 -1.208 0.000 0.747 113 L CB -0.596 40.455 42.059 -1.682 0.000 0.896 113 L HN 0.291 nan 8.230 nan 0.000 0.432 114 L N -1.143 119.942 121.223 -0.231 0.000 2.056 114 L HA -0.128 4.212 4.340 -0.001 0.000 0.207 114 L C 2.155 178.946 176.870 -0.132 0.000 1.078 114 L CA 1.795 56.616 54.840 -0.030 0.000 0.749 114 L CB -0.829 41.254 42.059 0.039 0.000 0.901 114 L HN 0.549 nan 8.230 nan 0.000 0.433 115 T N -5.761 108.586 114.554 -0.345 0.000 2.985 115 T HA 0.066 4.416 4.350 -0.001 0.000 0.254 115 T C 0.934 175.533 174.700 -0.168 0.000 1.021 115 T CA -0.095 61.778 62.100 -0.377 0.000 0.957 115 T CB 0.203 68.546 68.868 -0.875 0.000 1.047 115 T HN 0.062 nan 8.240 nan 0.000 0.511 116 S N 2.110 117.769 115.700 -0.067 0.000 2.562 116 S HA 0.050 4.520 4.470 -0.001 0.000 0.281 116 S C 1.515 176.154 174.600 0.066 0.000 1.333 116 S CA -0.051 58.188 58.200 0.065 0.000 1.052 116 S CB 0.760 64.113 63.200 0.256 0.000 0.884 116 S HN 0.649 nan 8.310 nan 0.000 0.506 117 E N 3.626 123.845 120.200 0.032 0.000 2.265 117 E HA -0.185 4.165 4.350 -0.001 0.000 0.196 117 E C 1.228 177.799 176.600 -0.049 0.000 0.996 117 E CA 1.160 57.562 56.400 0.003 0.000 0.832 117 E CB -0.130 29.567 29.700 -0.003 0.000 0.756 117 E HN 0.711 nan 8.360 nan 0.000 0.491 118 K N -0.704 119.635 120.400 -0.102 0.000 2.418 118 K HA 0.032 4.351 4.320 -0.001 0.000 0.195 118 K C 0.242 176.457 176.600 -0.641 0.000 1.035 118 K CA 0.695 56.761 56.287 -0.369 0.000 1.003 118 K CB 0.120 32.350 32.500 -0.450 0.000 0.793 118 K HN 0.209 nan 8.250 nan 0.000 0.494 119 W N -1.258 120.018 121.300 -0.041 0.000 4.187 119 W HA 0.225 4.885 4.660 0.000 0.000 0.641 119 W C 1.090 177.643 176.519 0.056 0.000 3.211 119 W CA -0.850 56.437 57.345 -0.097 0.000 1.093 119 W CB -0.571 28.692 29.460 -0.327 0.000 2.402 119 W HN -0.305 nan 8.180 nan 0.000 0.443 120 F N 1.175 121.226 119.950 0.169 0.000 2.407 120 F HA 0.171 4.698 4.527 -0.001 0.000 0.299 120 F C 1.878 177.670 175.800 -0.014 0.000 1.097 120 F CA 0.819 58.836 58.000 0.029 0.000 1.422 120 F CB -1.624 37.358 39.000 -0.030 0.000 1.067 120 F HN 0.254 nan 8.300 nan 0.000 0.539 121 A N 0.645 123.562 122.820 0.162 0.000 2.745 121 A HA -0.249 4.071 4.320 -0.001 0.000 0.296 121 A C 0.426 178.035 177.584 0.042 0.000 1.500 121 A CA 0.194 52.271 52.037 0.065 0.000 0.766 121 A CB -2.491 16.546 19.000 0.061 0.000 1.030 121 A HN 0.277 nan 8.150 nan 0.000 0.489 122 L N -0.387 120.849 121.223 0.022 0.000 2.439 122 L HA 0.285 4.625 4.340 -0.001 0.000 0.269 122 L C -1.774 175.118 176.870 0.036 0.000 1.179 122 L CA -1.783 53.075 54.840 0.030 0.000 0.828 122 L CB 0.237 42.312 42.059 0.026 0.000 1.106 122 L HN 0.152 nan 8.230 nan 0.000 0.467 123 P HA 0.062 nan 4.420 nan 0.000 0.265 123 P C -0.047 177.304 177.300 0.084 0.000 1.222 123 P CA 0.016 63.170 63.100 0.090 0.000 0.767 123 P CB 0.430 32.198 31.700 0.113 0.000 0.801 124 K N 2.985 123.419 120.400 0.057 0.000 2.152 124 K HA -0.183 4.137 4.320 -0.001 0.000 0.206 124 K C 1.709 178.407 176.600 0.162 0.000 1.048 124 K CA 1.283 57.646 56.287 0.126 0.000 0.933 124 K CB 0.004 32.640 32.500 0.226 0.000 0.721 124 K HN 0.579 nan 8.250 nan 0.000 0.447 125 E N 1.226 121.478 120.200 0.087 0.000 2.338 125 E HA -0.195 4.155 4.350 -0.001 0.000 0.197 125 E C 1.198 177.808 176.600 0.016 0.000 1.007 125 E CA 1.056 57.474 56.400 0.031 0.000 0.849 125 E CB -0.074 29.637 29.700 0.019 0.000 0.774 125 E HN 0.316 nan 8.360 nan 0.000 0.506 126 R N 0.356 120.874 120.500 0.030 0.000 2.334 126 R HA 0.336 4.676 4.340 -0.001 0.000 0.216 126 R C 0.345 176.706 176.300 0.102 0.000 0.905 126 R CA -0.119 55.958 56.100 -0.039 0.000 1.064 126 R CB 0.323 30.412 30.300 -0.352 0.000 1.046 126 R HN 0.084 nan 8.270 nan 0.000 0.508 127 L N 0.946 122.289 121.223 0.201 0.000 2.282 127 L HA 0.341 4.681 4.340 -0.001 0.000 0.288 127 L C -0.859 176.169 176.870 0.264 0.000 1.033 127 L CA -0.640 54.404 54.840 0.340 0.000 0.807 127 L CB 0.778 43.075 42.059 0.396 0.000 1.209 127 L HN -0.072 nan 8.230 nan 0.000 0.423 128 W N 3.085 124.458 121.300 0.123 0.000 2.706 128 W HA 0.684 5.344 4.660 -0.000 0.000 0.346 128 W C -0.513 175.984 176.519 -0.037 0.000 1.071 128 W CA -0.744 56.607 57.345 0.011 0.000 1.206 128 W CB 1.797 31.265 29.460 0.012 0.000 1.413 128 W HN 0.177 nan 8.180 nan 0.000 0.542 129 V N -0.638 119.257 119.914 -0.032 0.000 2.914 129 V HA 0.936 5.055 4.120 -0.001 0.000 0.314 129 V C -0.390 175.662 176.094 -0.070 0.000 1.084 129 V CA -0.987 61.173 62.300 -0.233 0.000 0.963 129 V CB 1.215 32.340 31.823 -1.165 0.000 1.025 129 V HN 0.597 nan 8.190 nan 0.000 0.432 130 T N 0.793 115.398 114.554 0.086 0.000 2.885 130 T HA 0.879 5.229 4.350 -0.001 0.000 0.285 130 T C -0.326 174.504 174.700 0.216 0.000 1.019 130 T CA -0.292 61.898 62.100 0.150 0.000 1.010 130 T CB 1.514 70.521 68.868 0.231 0.000 1.022 130 T HN 2.016 nan 8.240 nan 0.000 0.466 131 V N -0.107 119.964 119.914 0.262 0.000 3.040 131 V HA 0.658 4.778 4.120 -0.001 0.000 0.312 131 V C -0.866 175.461 176.094 0.389 0.000 1.115 131 V CA -1.524 60.991 62.300 0.358 0.000 0.998 131 V CB 1.416 33.481 31.823 0.404 0.000 1.042 131 V HN 0.894 nan 8.190 nan 0.000 0.433 132 Y N 1.458 121.921 120.300 0.271 0.000 2.620 132 Y HA 0.172 4.722 4.550 -0.001 0.000 0.330 132 Y C 1.708 177.738 175.900 0.217 0.000 1.186 132 Y CA 0.550 58.805 58.100 0.259 0.000 1.467 132 Y CB 0.956 39.609 38.460 0.321 0.000 1.262 132 Y HN 1.054 nan 8.280 nan 0.000 0.550 133 E N 1.861 121.999 120.200 -0.104 0.000 2.114 133 E HA -0.255 4.095 4.350 -0.001 0.000 0.199 133 E C 1.691 178.224 176.600 -0.111 0.000 1.008 133 E CA 2.008 58.340 56.400 -0.114 0.000 0.810 133 E CB 0.078 29.669 29.700 -0.182 0.000 0.739 133 E HN 0.752 nan 8.360 nan 0.000 0.456 134 S N -0.196 115.372 115.700 -0.219 0.000 2.562 134 S HA -0.064 4.406 4.470 -0.001 0.000 0.221 134 S C 0.772 175.428 174.600 0.093 0.000 0.975 134 S CA 0.241 58.404 58.200 -0.062 0.000 0.918 134 S CB 0.255 63.413 63.200 -0.069 0.000 0.772 134 S HN 0.113 nan 8.310 nan 0.000 0.531 135 D N 2.436 122.949 120.400 0.187 0.000 2.551 135 D HA 0.178 4.818 4.640 -0.001 0.000 0.223 135 D C 0.018 176.436 176.300 0.197 0.000 1.144 135 D CA -0.158 53.993 54.000 0.252 0.000 1.025 135 D CB 0.032 41.062 40.800 0.382 0.000 1.085 135 D HN 0.099 nan 8.370 nan 0.000 0.506 136 D N 1.486 121.962 120.400 0.126 0.000 2.219 136 D HA -0.132 4.508 4.640 -0.001 0.000 0.205 136 D C 1.532 177.906 176.300 0.123 0.000 0.970 136 D CA 0.774 54.835 54.000 0.102 0.000 0.851 136 D CB 0.348 41.171 40.800 0.039 0.000 0.943 136 D HN 0.583 nan 8.370 nan 0.000 0.488 137 E N 0.646 120.893 120.200 0.078 0.000 2.051 137 E HA -0.116 4.233 4.350 -0.001 0.000 0.192 137 E C 2.121 178.718 176.600 -0.005 0.000 0.991 137 E CA 1.021 57.429 56.400 0.012 0.000 0.799 137 E CB -0.022 29.649 29.700 -0.049 0.000 0.748 137 E HN 0.186 nan 8.360 nan 0.000 0.449 138 A N 0.672 123.519 122.820 0.045 0.000 1.902 138 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 138 A C 2.011 179.709 177.584 0.190 0.000 1.181 138 A CA 1.307 53.392 52.037 0.080 0.000 0.623 138 A CB -0.828 18.344 19.000 0.287 0.000 0.818 138 A HN 0.393 nan 8.150 nan 0.000 0.443 139 Y N 0.404 120.797 120.300 0.155 0.000 2.128 139 Y HA -0.251 4.299 4.550 -0.000 0.000 0.284 139 Y C 2.568 178.526 175.900 0.097 0.000 1.154 139 Y CA 2.336 60.534 58.100 0.163 0.000 1.149 139 Y CB -0.027 38.497 38.460 0.106 0.000 0.976 139 Y HN 0.408 nan 8.280 nan 0.000 0.505 140 E N 0.696 121.049 120.200 0.255 0.000 2.085 140 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 140 E C 2.133 178.719 176.600 -0.024 0.000 0.994 140 E CA 1.789 58.263 56.400 0.122 0.000 0.801 140 E CB -0.378 29.368 29.700 0.077 0.000 0.743 140 E HN 0.677 nan 8.360 nan 0.000 0.453 141 I N -0.637 119.870 120.570 -0.104 0.000 2.142 141 I HA -0.271 3.899 4.170 -0.001 0.000 0.240 141 I C 2.343 178.288 176.117 -0.287 0.000 1.078 141 I CA 1.390 62.539 61.300 -0.252 0.000 1.343 141 I CB -0.468 37.293 38.000 -0.399 0.000 1.046 141 I HN 0.193 nan 8.210 nan 0.000 0.405 142 W N 1.029 122.193 121.300 -0.227 0.000 2.355 142 W HA -0.202 4.457 4.660 -0.001 0.000 0.309 142 W C 2.689 178.997 176.519 -0.351 0.000 1.206 142 W CA 1.209 58.355 57.345 -0.331 0.000 1.284 142 W CB -0.192 29.067 29.460 -0.335 0.000 1.145 142 W HN 0.159 nan 8.180 nan 0.000 0.502 143 E N 0.654 120.795 120.200 -0.099 0.000 2.028 143 E HA -0.206 4.143 4.350 -0.001 0.000 0.191 143 E C 1.807 178.356 176.600 -0.085 0.000 0.988 143 E CA 1.360 57.680 56.400 -0.133 0.000 0.799 143 E CB -0.031 29.596 29.700 -0.122 0.000 0.755 143 E HN 0.247 nan 8.360 nan 0.000 0.447 144 K N -0.659 119.699 120.400 -0.070 0.000 2.287 144 K HA 0.041 4.361 4.320 -0.001 0.000 0.199 144 K C 2.061 178.610 176.600 -0.086 0.000 1.061 144 K CA 0.290 56.541 56.287 -0.059 0.000 0.976 144 K CB 0.309 32.791 32.500 -0.031 0.000 0.898 144 K HN -0.009 nan 8.250 nan 0.000 0.492 145 E N 0.770 120.895 120.200 -0.125 0.000 2.086 145 E HA -0.053 4.296 4.350 -0.001 0.000 0.190 145 E C 2.151 178.649 176.600 -0.170 0.000 0.975 145 E CA 0.927 57.238 56.400 -0.148 0.000 0.813 145 E CB 0.047 29.631 29.700 -0.193 0.000 0.768 145 E HN -0.001 nan 8.360 nan 0.000 0.457 146 V N -0.272 119.501 119.914 -0.236 0.000 2.426 146 V HA 0.108 4.227 4.120 -0.001 0.000 0.242 146 V C 1.451 177.405 176.094 -0.234 0.000 1.036 146 V CA 1.253 63.361 62.300 -0.320 0.000 1.044 146 V CB -0.271 31.230 31.823 -0.536 0.000 0.688 146 V HN 0.470 nan 8.190 nan 0.000 0.462 147 G N 0.798 109.488 108.800 -0.183 0.000 2.167 147 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.194 147 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.194 147 G C -0.094 174.721 174.900 -0.142 0.000 1.027 147 G CA -0.305 44.723 45.100 -0.121 0.000 0.717 147 G HN 0.287 nan 8.290 nan 0.000 0.501 148 I N 0.954 121.397 120.570 -0.212 0.000 2.533 148 I HA 0.183 4.352 4.170 -0.001 0.000 0.284 148 I C -1.551 174.449 176.117 -0.195 0.000 1.109 148 I CA -2.106 59.052 61.300 -0.235 0.000 1.412 148 I CB 0.001 37.803 38.000 -0.329 0.000 1.396 148 I HN -0.074 nan 8.210 nan 0.000 0.543 149 P HA 0.115 nan 4.420 nan 0.000 0.265 149 P C 0.741 177.927 177.300 -0.190 0.000 1.193 149 P CA -0.071 62.934 63.100 -0.158 0.000 0.765 149 P CB 0.457 32.061 31.700 -0.161 0.000 0.823 150 R N 2.620 123.047 120.500 -0.123 0.000 2.139 150 R HA -0.182 4.158 4.340 -0.001 0.000 0.243 150 R C 1.849 178.093 176.300 -0.093 0.000 1.145 150 R CA 1.388 57.440 56.100 -0.081 0.000 0.976 150 R CB -0.304 30.017 30.300 0.035 0.000 0.866 150 R HN 0.640 nan 8.270 nan 0.000 0.449 151 E N 0.890 121.009 120.200 -0.134 0.000 2.409 151 E HA -0.184 4.166 4.350 -0.001 0.000 0.198 151 E C 0.961 177.375 176.600 -0.309 0.000 1.024 151 E CA 1.008 57.318 56.400 -0.150 0.000 0.861 151 E CB -0.011 29.606 29.700 -0.138 0.000 0.788 151 E HN 0.349 nan 8.360 nan 0.000 0.521 152 R N 0.578 120.802 120.500 -0.461 0.000 2.546 152 R HA 0.397 4.736 4.340 -0.001 0.000 0.320 152 R C 0.098 176.213 176.300 -0.308 0.000 1.021 152 R CA -0.129 55.540 56.100 -0.720 0.000 1.088 152 R CB 0.573 30.200 30.300 -1.122 0.000 1.278 152 R HN 0.120 nan 8.270 nan 0.000 0.557 153 I N 2.343 122.788 120.570 -0.209 0.000 2.354 153 I HA 0.299 4.469 4.170 -0.001 0.000 0.286 153 I C -0.388 175.743 176.117 0.022 0.000 1.007 153 I CA -0.693 60.500 61.300 -0.179 0.000 1.167 153 I CB 1.406 39.171 38.000 -0.393 0.000 1.320 153 I HN -0.188 nan 8.210 nan 0.000 0.458 154 I N 6.208 126.812 120.570 0.056 0.000 2.378 154 I HA 0.414 4.584 4.170 -0.001 0.000 0.291 154 I C 0.273 176.474 176.117 0.140 0.000 0.992 154 I CA -0.640 60.718 61.300 0.097 0.000 1.154 154 I CB 1.448 39.470 38.000 0.036 0.000 1.315 154 I HN 0.520 nan 8.210 nan 0.000 0.448 155 R N 6.039 126.631 120.500 0.153 0.000 2.297 155 R HA 0.621 4.961 4.340 -0.001 0.000 0.308 155 R C -0.744 175.620 176.300 0.107 0.000 1.029 155 R CA -0.635 55.556 56.100 0.151 0.000 0.929 155 R CB 1.631 31.995 30.300 0.107 0.000 1.046 155 R HN 0.411 nan 8.270 nan 0.000 0.461 156 I N 2.279 122.938 120.570 0.147 0.000 2.436 156 I HA 0.301 4.471 4.170 -0.001 0.000 0.289 156 I C 0.868 177.079 176.117 0.157 0.000 1.010 156 I CA -0.333 61.056 61.300 0.147 0.000 1.098 156 I CB 1.426 39.543 38.000 0.194 0.000 1.266 156 I HN 0.745 nan 8.210 nan 0.000 0.434 157 G N 4.635 113.483 108.800 0.079 0.000 2.630 157 G HA2 0.176 4.135 3.960 -0.001 0.000 0.223 157 G HA3 0.176 4.135 3.960 -0.001 0.000 0.223 157 G C -0.287 174.709 174.900 0.160 0.000 1.434 157 G CA -0.271 44.839 45.100 0.017 0.000 1.057 157 G HN 0.542 nan 8.290 nan 0.000 0.570 158 D N 1.299 121.757 120.400 0.097 0.000 2.600 158 D HA 0.033 4.673 4.640 -0.001 0.000 0.226 158 D C 1.055 177.402 176.300 0.079 0.000 1.119 158 D CA -0.129 53.943 54.000 0.119 0.000 1.051 158 D CB 0.097 40.915 40.800 0.029 0.000 1.106 158 D HN 0.425 nan 8.370 nan 0.000 0.491 159 N N 0.252 119.017 118.700 0.107 0.000 2.521 159 N HA -0.121 4.619 4.740 -0.001 0.000 0.188 159 N C 0.602 176.154 175.510 0.069 0.000 1.146 159 N CA 0.170 53.266 53.050 0.077 0.000 0.893 159 N CB 0.225 38.764 38.487 0.086 0.000 0.975 159 N HN 0.175 nan 8.380 nan 0.000 0.451 160 K N -0.188 120.257 120.400 0.074 0.000 2.397 160 K HA 0.220 4.540 4.320 -0.001 0.000 0.202 160 K C 0.389 177.010 176.600 0.036 0.000 1.022 160 K CA 0.235 56.558 56.287 0.060 0.000 1.141 160 K CB 0.340 32.884 32.500 0.074 0.000 0.857 160 K HN 0.248 nan 8.250 nan 0.000 0.514 161 G N 0.939 109.754 108.800 0.026 0.000 2.160 161 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.244 161 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.244 161 G C -0.118 174.781 174.900 -0.002 0.000 1.022 161 G CA 0.112 45.218 45.100 0.009 0.000 0.741 161 G HN 0.505 nan 8.290 nan 0.000 0.508 162 A N -1.197 121.620 122.820 -0.006 0.000 2.608 162 A HA 0.829 5.149 4.320 -0.001 0.000 0.292 162 A C -3.083 174.471 177.584 -0.051 0.000 1.066 162 A CA -0.950 51.074 52.037 -0.022 0.000 0.676 162 A CB 1.125 20.120 19.000 -0.008 0.000 1.277 162 A HN 0.144 nan 8.150 nan 0.000 0.413 163 P HA 0.310 nan 4.420 nan 0.000 0.263 163 P C -0.563 176.625 177.300 -0.187 0.000 1.195 163 P CA 1.189 64.150 63.100 -0.232 0.000 0.762 163 P CB -0.223 31.344 31.700 -0.223 0.000 0.799 164 Y N 0.170 120.349 120.300 -0.202 0.000 4.916 164 Y HA -0.278 4.272 4.550 -0.001 0.000 0.247 164 Y C 0.908 176.681 175.900 -0.211 0.000 0.962 164 Y CA 0.839 58.649 58.100 -0.482 0.000 1.933 164 Y CB -2.515 35.455 38.460 -0.817 0.000 1.451 164 Y HN 0.450 nan 8.280 nan 0.000 0.539 165 A N 0.925 123.771 122.820 0.043 0.000 2.506 165 A HA 0.660 4.980 4.320 -0.001 0.000 0.320 165 A C 0.439 178.105 177.584 0.136 0.000 1.424 165 A CA 0.638 52.726 52.037 0.086 0.000 1.044 165 A CB 0.538 19.567 19.000 0.049 0.000 1.140 165 A HN 0.462 nan 8.150 nan 0.000 0.538 166 S N 1.216 117.037 115.700 0.202 0.000 2.547 166 S HA 0.373 4.843 4.470 -0.001 0.000 0.270 166 S C -0.239 174.518 174.600 0.261 0.000 1.150 166 S CA -0.576 57.778 58.200 0.257 0.000 0.850 166 S CB 1.192 64.629 63.200 0.396 0.000 1.118 166 S HN 0.503 nan 8.310 nan 0.000 0.461 167 D N 2.143 122.695 120.400 0.253 0.000 2.310 167 D HA 0.025 4.665 4.640 -0.001 0.000 0.212 167 D C 0.399 176.870 176.300 0.284 0.000 0.965 167 D CA 1.064 55.222 54.000 0.262 0.000 0.879 167 D CB -0.152 40.797 40.800 0.248 0.000 0.921 167 D HN 0.540 nan 8.370 nan 0.000 0.510 168 N N -0.751 118.133 118.700 0.305 0.000 2.328 168 N HA 0.141 4.881 4.740 -0.001 0.000 0.247 168 N C -1.026 174.537 175.510 0.088 0.000 1.165 168 N CA -0.203 53.013 53.050 0.276 0.000 0.873 168 N CB 0.456 39.188 38.487 0.408 0.000 1.125 168 N HN -0.034 nan 8.380 nan 0.000 0.513 169 F N 0.346 120.260 119.950 -0.059 0.000 2.612 169 F HA 0.360 4.886 4.527 -0.000 0.000 0.332 169 F C -1.383 174.474 175.800 0.094 0.000 1.167 169 F CA -1.207 56.717 58.000 -0.127 0.000 0.970 169 F CB 0.835 39.682 39.000 -0.256 0.000 1.234 169 F HN -0.012 nan 8.300 nan 0.000 0.453 170 W N 7.337 128.496 121.300 -0.235 0.000 2.390 170 W HA 0.556 5.216 4.660 -0.000 0.000 0.312 170 W C -1.106 175.385 176.519 -0.046 0.000 1.123 170 W CA -0.203 57.107 57.345 -0.058 0.000 1.202 170 W CB 1.176 30.585 29.460 -0.084 0.000 1.251 170 W HN 0.483 nan 8.180 nan 0.000 0.511 171 Q N 5.731 125.124 119.800 -0.679 0.000 2.353 171 Q HA 0.222 4.562 4.340 -0.001 0.000 0.268 171 Q C 1.069 176.378 176.000 -1.153 0.000 1.045 171 Q CA -0.700 54.758 55.803 -0.575 0.000 0.811 171 Q CB 2.538 31.151 28.738 -0.208 0.000 1.305 171 Q HN 0.763 nan 8.270 nan 0.000 0.447 172 M N 0.965 120.145 119.600 -0.699 0.000 2.175 172 M HA 0.050 4.530 4.480 -0.001 0.000 0.264 172 M C 0.324 176.524 176.300 -0.166 0.000 1.063 172 M CA 1.959 57.032 55.300 -0.378 0.000 1.119 172 M CB 0.295 32.942 32.600 0.078 0.000 1.377 172 M HN 0.761 nan 8.290 nan 0.000 0.415 173 G N -1.457 107.246 108.800 -0.163 0.000 2.570 173 G HA2 0.126 4.086 3.960 -0.001 0.000 0.310 173 G HA3 0.126 4.086 3.960 -0.001 0.000 0.310 173 G C -0.943 173.894 174.900 -0.104 0.000 1.266 173 G CA -0.132 44.890 45.100 -0.130 0.000 0.825 173 G HN 0.127 nan 8.290 nan 0.000 0.483 174 D N 0.173 120.528 120.400 -0.076 0.000 2.182 174 D HA 0.007 4.647 4.640 -0.001 0.000 0.201 174 D C 1.595 177.878 176.300 -0.028 0.000 0.986 174 D CA 2.017 55.987 54.000 -0.050 0.000 0.847 174 D CB -0.016 40.760 40.800 -0.040 0.000 0.942 174 D HN 0.583 nan 8.370 nan 0.000 0.467 175 T N -3.043 111.501 114.554 -0.017 0.000 2.930 175 T HA 0.652 5.002 4.350 -0.001 0.000 0.290 175 T C 0.353 175.064 174.700 0.018 0.000 1.052 175 T CA -0.221 61.882 62.100 0.005 0.000 1.017 175 T CB 2.967 71.842 68.868 0.011 0.000 1.137 175 T HN 0.247 nan 8.240 nan 0.000 0.511 176 G N 1.087 109.914 108.800 0.044 0.000 2.408 176 G HA2 0.236 4.196 3.960 -0.001 0.000 0.682 176 G HA3 0.236 4.196 3.960 -0.001 0.000 0.682 176 G C -3.380 171.575 174.900 0.091 0.000 1.303 176 G CA -1.063 44.081 45.100 0.073 0.000 0.966 176 G HN 0.794 nan 8.290 nan 0.000 0.560 177 P HA 0.430 nan 4.420 nan 0.000 0.265 177 P C 0.519 177.874 177.300 0.092 0.000 1.193 177 P CA 0.588 63.751 63.100 0.105 0.000 0.765 177 P CB 0.355 32.105 31.700 0.084 0.000 0.823 178 C N 1.039 120.384 119.300 0.076 0.000 3.320 178 C HA 1.004 5.463 4.460 -0.001 0.000 0.335 178 C C -0.169 174.747 174.990 -0.123 0.000 1.430 178 C CA -0.200 58.823 59.018 0.009 0.000 1.271 178 C CB 1.369 29.146 27.740 0.062 0.000 1.609 178 C HN 0.811 nan 8.230 nan 0.000 0.457 179 G N -0.055 108.407 108.800 -0.563 0.000 2.328 179 G HA2 0.636 4.596 3.960 -0.001 0.000 0.295 179 G HA3 0.636 4.596 3.960 -0.001 0.000 0.295 179 G C -3.703 170.670 174.900 -0.879 0.000 1.413 179 G CA -0.720 44.012 45.100 -0.613 0.000 0.817 179 G HN 0.630 nan 8.290 nan 0.000 0.546 180 P HA 0.413 nan 4.420 nan 0.000 0.269 180 P C 0.261 177.522 177.300 -0.064 0.000 1.215 180 P CA -0.150 62.899 63.100 -0.085 0.000 0.780 180 P CB 0.591 32.502 31.700 0.351 0.000 0.898 181 C N -0.662 118.612 119.300 -0.043 0.000 3.171 181 C HA 0.878 5.337 4.460 -0.001 0.000 0.308 181 C C -0.437 174.558 174.990 0.008 0.000 1.334 181 C CA -0.585 58.327 59.018 -0.177 0.000 1.473 181 C CB 1.340 28.992 27.740 -0.146 0.000 1.866 181 C HN 0.559 nan 8.230 nan 0.000 0.465 182 T N 0.833 115.341 114.554 -0.076 0.000 2.861 182 T HA 0.626 4.976 4.350 -0.001 0.000 0.287 182 T C -1.041 173.741 174.700 0.137 0.000 1.003 182 T CA -0.047 62.159 62.100 0.176 0.000 0.977 182 T CB 1.090 70.215 68.868 0.427 0.000 0.996 182 T HN 0.869 nan 8.240 nan 0.000 0.448 183 E N 3.607 123.926 120.200 0.198 0.000 2.256 183 E HA 0.501 4.851 4.350 -0.001 0.000 0.267 183 E C -0.687 176.007 176.600 0.157 0.000 0.892 183 E CA -0.883 55.600 56.400 0.138 0.000 0.775 183 E CB 2.435 32.210 29.700 0.126 0.000 1.207 183 E HN 0.572 nan 8.360 nan 0.000 0.420 184 I N 2.512 123.127 120.570 0.074 0.000 2.354 184 I HA 0.338 4.508 4.170 -0.001 0.000 0.292 184 I C -0.787 175.368 176.117 0.064 0.000 0.989 184 I CA -0.569 60.818 61.300 0.146 0.000 1.188 184 I CB 0.541 38.682 38.000 0.234 0.000 1.342 184 I HN 0.309 nan 8.210 nan 0.000 0.457 185 F N 5.292 125.362 119.950 0.200 0.000 2.492 185 F HA 0.427 4.954 4.527 -0.001 0.000 0.327 185 F C -0.398 175.586 175.800 0.306 0.000 1.079 185 F CA -0.743 57.394 58.000 0.228 0.000 0.967 185 F CB 1.442 40.548 39.000 0.177 0.000 1.169 185 F HN 0.282 nan 8.300 nan 0.000 0.472 186 Y N 2.025 122.490 120.300 0.275 0.000 2.335 186 Y HA 0.335 4.885 4.550 -0.001 0.000 0.338 186 Y C -0.588 175.339 175.900 0.046 0.000 0.977 186 Y CA -1.145 57.038 58.100 0.138 0.000 1.114 186 Y CB 1.014 39.455 38.460 -0.031 0.000 1.182 186 Y HN 0.548 nan 8.280 nan 0.000 0.463 187 D N 4.288 124.372 120.400 -0.528 0.000 2.336 187 D HA 0.069 4.709 4.640 -0.001 0.000 0.249 187 D C 0.661 176.556 176.300 -0.676 0.000 1.213 187 D CA 0.445 54.050 54.000 -0.658 0.000 0.870 187 D CB 0.412 40.913 40.800 -0.498 0.000 1.076 187 D HN 0.750 nan 8.370 nan 0.000 0.483 188 H N 3.027 121.904 119.070 -0.322 0.000 2.547 188 H HA 0.202 4.757 4.556 -0.000 0.000 0.272 188 H C 1.147 176.416 175.328 -0.099 0.000 0.989 188 H CA 0.979 56.983 56.048 -0.074 0.000 1.214 188 H CB 0.460 30.237 29.762 0.025 0.000 1.389 188 H HN 0.666 nan 8.280 nan 0.000 0.577 189 G N 1.244 109.981 108.800 -0.105 0.000 2.497 189 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.686 189 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.686 189 G C 0.077 174.994 174.900 0.027 0.000 1.288 189 G CA -0.111 44.971 45.100 -0.030 0.000 0.899 189 G HN 0.282 nan 8.290 nan 0.000 0.608 190 D N -1.103 119.351 120.400 0.090 0.000 2.378 190 D HA 0.001 4.641 4.640 -0.001 0.000 0.227 190 D C 1.340 177.686 176.300 0.076 0.000 1.012 190 D CA 1.411 55.448 54.000 0.060 0.000 0.905 190 D CB -0.249 40.571 40.800 0.032 0.000 0.895 190 D HN 0.582 nan 8.370 nan 0.000 0.532 191 H N -0.422 118.661 119.070 0.022 0.000 2.547 191 H HA 0.208 4.764 4.556 -0.000 0.000 0.272 191 H C 0.271 175.633 175.328 0.058 0.000 0.989 191 H CA 0.343 56.416 56.048 0.041 0.000 1.214 191 H CB 0.233 30.020 29.762 0.042 0.000 1.389 191 H HN 0.178 nan 8.280 nan 0.000 0.577 192 I N -0.323 120.344 120.570 0.163 0.000 2.404 192 I HA 0.042 4.211 4.170 -0.001 0.000 0.293 192 I C -0.075 176.131 176.117 0.149 0.000 0.992 192 I CA -1.332 60.052 61.300 0.140 0.000 1.149 192 I CB 0.847 38.901 38.000 0.090 0.000 1.315 192 I HN 0.222 nan 8.210 nan 0.000 0.446 193 W N 6.169 127.487 121.300 0.030 0.000 2.181 193 W HA 0.503 5.163 4.660 -0.001 0.000 0.335 193 W C 0.541 177.090 176.519 0.050 0.000 1.310 193 W CA 1.351 58.717 57.345 0.034 0.000 1.226 193 W CB 0.831 30.307 29.460 0.028 0.000 1.155 193 W HN 0.778 nan 8.180 nan 0.000 0.565 194 G N 2.549 110.810 108.800 -0.899 0.000 2.317 194 G HA2 0.412 4.371 3.960 -0.001 0.000 0.445 194 G HA3 0.412 4.371 3.960 -0.001 0.000 0.445 194 G C -0.867 173.762 174.900 -0.451 0.000 1.486 194 G CA -0.559 44.055 45.100 -0.809 0.000 0.991 194 G HN 1.082 nan 8.290 nan 0.000 0.660 195 G N 0.115 108.665 108.800 -0.417 0.000 2.644 195 G HA2 0.919 4.878 3.960 -0.001 0.000 0.307 195 G HA3 0.919 4.878 3.960 -0.001 0.000 0.307 195 G C -2.644 171.809 174.900 -0.746 0.000 1.250 195 G CA -1.320 43.529 45.100 -0.418 0.000 0.996 195 G HN 0.623 nan 8.290 nan 0.000 0.489 196 P HA 0.230 nan 4.420 nan 0.000 0.272 196 P C -2.631 174.126 177.300 -0.904 0.000 1.240 196 P CA -1.261 60.787 63.100 -1.753 0.000 0.791 196 P CB 0.308 30.808 31.700 -1.999 0.000 0.978 197 P HA -0.029 nan 4.420 nan 0.000 0.266 197 P C 1.036 178.111 177.300 -0.375 0.000 1.195 197 P CA 1.245 63.973 63.100 -0.619 0.000 0.768 197 P CB -0.168 30.945 31.700 -0.978 0.000 0.838 198 G N 1.586 110.257 108.800 -0.216 0.000 2.268 198 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.240 198 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.240 198 G C 0.385 175.208 174.900 -0.127 0.000 1.010 198 G CA 0.370 45.394 45.100 -0.127 0.000 0.618 198 G HN 0.894 nan 8.290 nan 0.000 0.516 199 S N 0.922 116.503 115.700 -0.198 0.000 2.632 199 S HA 0.645 5.115 4.470 -0.001 0.000 0.267 199 S C -0.800 173.726 174.600 -0.124 0.000 1.276 199 S CA -0.376 57.718 58.200 -0.176 0.000 0.998 199 S CB 2.113 65.153 63.200 -0.267 0.000 0.953 199 S HN 0.019 nan 8.310 nan 0.000 0.547 200 P HA -0.056 nan 4.420 nan 0.000 0.218 200 P C 0.462 177.747 177.300 -0.025 0.000 1.148 200 P CA 1.207 64.287 63.100 -0.033 0.000 0.822 200 P CB -0.031 31.661 31.700 -0.013 0.000 0.784 201 E N -0.541 119.582 120.200 -0.129 0.000 2.394 201 E HA -0.024 4.326 4.350 -0.001 0.000 0.191 201 E C 1.392 177.850 176.600 -0.236 0.000 1.044 201 E CA -0.084 56.172 56.400 -0.239 0.000 0.939 201 E CB -0.184 29.144 29.700 -0.619 0.000 1.089 201 E HN 0.541 nan 8.360 nan 0.000 0.456 202 E N 0.773 120.887 120.200 -0.143 0.000 2.204 202 E HA -0.247 4.102 4.350 -0.001 0.000 0.195 202 E C 1.281 177.884 176.600 0.006 0.000 0.990 202 E CA 1.286 57.605 56.400 -0.134 0.000 0.821 202 E CB -0.067 29.555 29.700 -0.130 0.000 0.750 202 E HN 0.033 nan 8.360 nan 0.000 0.477 203 D N 1.016 121.471 120.400 0.092 0.000 2.371 203 D HA 0.045 4.685 4.640 -0.001 0.000 0.221 203 D C 0.755 177.209 176.300 0.257 0.000 0.986 203 D CA 0.728 54.838 54.000 0.182 0.000 0.899 203 D CB -0.085 40.831 40.800 0.194 0.000 0.902 203 D HN 0.305 nan 8.370 nan 0.000 0.530 204 G N -0.343 108.611 108.800 0.257 0.000 2.667 204 G HA2 -0.028 3.932 3.960 -0.001 0.000 0.250 204 G HA3 -0.028 3.932 3.960 -0.001 0.000 0.250 204 G C 0.415 175.447 174.900 0.221 0.000 1.212 204 G CA -0.413 44.897 45.100 0.350 0.000 0.874 204 G HN 0.062 nan 8.290 nan 0.000 0.561 205 D N -0.833 119.695 120.400 0.213 0.000 2.328 205 D HA 0.018 4.658 4.640 -0.001 0.000 0.226 205 D C 2.057 178.399 176.300 0.070 0.000 1.066 205 D CA -0.048 54.018 54.000 0.110 0.000 0.861 205 D CB 0.351 41.190 40.800 0.065 0.000 0.912 205 D HN 0.500 nan 8.370 nan 0.000 0.521 206 R N -0.178 120.371 120.500 0.081 0.000 2.055 206 R HA -0.076 4.263 4.340 -0.001 0.000 0.228 206 R C 0.102 176.360 176.300 -0.070 0.000 1.143 206 R CA 0.792 56.879 56.100 -0.021 0.000 0.945 206 R CB 0.057 30.285 30.300 -0.120 0.000 0.841 206 R HN 0.043 nan 8.270 nan 0.000 0.429 207 Y N 1.853 122.156 120.300 0.005 0.000 2.594 207 Y HA 0.289 4.839 4.550 -0.001 0.000 0.342 207 Y C -0.215 175.831 175.900 0.243 0.000 1.010 207 Y CA -0.855 57.264 58.100 0.032 0.000 1.270 207 Y CB 0.806 39.125 38.460 -0.236 0.000 1.125 207 Y HN 0.015 nan 8.280 nan 0.000 0.513 208 I N 3.117 123.924 120.570 0.396 0.000 2.365 208 I HA 0.066 4.235 4.170 -0.001 0.000 0.291 208 I C 0.520 176.716 176.117 0.131 0.000 1.004 208 I CA -0.680 60.783 61.300 0.272 0.000 1.311 208 I CB 1.300 39.448 38.000 0.247 0.000 1.401 208 I HN 0.622 nan 8.210 nan 0.000 0.491 209 E N 6.412 126.524 120.200 -0.147 0.000 2.159 209 E HA 0.060 4.410 4.350 -0.001 0.000 0.272 209 E C 0.842 177.255 176.600 -0.311 0.000 1.138 209 E CA -0.112 55.879 56.400 -0.683 0.000 0.915 209 E CB 0.540 29.883 29.700 -0.595 0.000 1.028 209 E HN 0.639 nan 8.360 nan 0.000 0.423 210 I N 2.800 123.244 120.570 -0.209 0.000 2.927 210 I HA 0.314 4.483 4.170 -0.001 0.000 0.268 210 I C 0.281 176.405 176.117 0.012 0.000 1.153 210 I CA -0.288 60.975 61.300 -0.061 0.000 1.459 210 I CB 0.400 38.419 38.000 0.032 0.000 1.149 210 I HN 0.333 nan 8.210 nan 0.000 0.443 211 W N 3.102 124.321 121.300 -0.136 0.000 2.830 211 W HA 0.486 5.145 4.660 -0.001 0.000 0.335 211 W C -1.558 174.902 176.519 -0.098 0.000 1.043 211 W CA -1.489 55.809 57.345 -0.078 0.000 1.239 211 W CB 1.341 30.820 29.460 0.032 0.000 1.378 211 W HN -0.082 nan 8.180 nan 0.000 0.456 212 N N 4.810 123.683 118.700 0.289 0.000 2.408 212 N HA 0.497 5.237 4.740 -0.001 0.000 0.280 212 N C -1.203 174.307 175.510 -0.001 0.000 1.002 212 N CA -0.189 52.895 53.050 0.057 0.000 0.907 212 N CB 0.890 39.332 38.487 -0.076 0.000 1.161 212 N HN 0.336 nan 8.380 nan 0.000 0.488 213 I N 3.306 123.778 120.570 -0.163 0.000 2.390 213 I HA 0.273 4.443 4.170 -0.001 0.000 0.283 213 I C -0.559 175.200 176.117 -0.597 0.000 1.016 213 I CA -0.969 60.132 61.300 -0.330 0.000 1.151 213 I CB 1.531 39.315 38.000 -0.359 0.000 1.293 213 I HN 0.120 nan 8.210 nan 0.000 0.458 214 V N 6.579 126.197 119.914 -0.494 0.000 2.407 214 V HA 0.295 4.415 4.120 -0.001 0.000 0.278 214 V C -0.328 175.505 176.094 -0.436 0.000 1.037 214 V CA -0.450 61.563 62.300 -0.478 0.000 0.900 214 V CB 1.034 32.683 31.823 -0.290 0.000 0.983 214 V HN 0.351 nan 8.190 nan 0.000 0.459 215 F N 4.850 124.758 119.950 -0.070 0.000 2.451 215 F HA 0.435 4.962 4.527 -0.001 0.000 0.356 215 F C 0.595 176.416 175.800 0.036 0.000 1.178 215 F CA -1.156 56.833 58.000 -0.018 0.000 1.210 215 F CB 0.193 39.098 39.000 -0.158 0.000 1.504 215 F HN 0.270 nan 8.300 nan 0.000 0.598 216 M N 3.432 123.126 119.600 0.157 0.000 2.303 216 M HA 0.003 4.483 4.480 -0.001 0.000 0.350 216 M C 0.862 177.172 176.300 0.018 0.000 1.518 216 M CA 0.822 56.125 55.300 0.006 0.000 1.070 216 M CB 0.687 33.205 32.600 -0.137 0.000 1.910 216 M HN 0.615 nan 8.290 nan 0.000 0.458 217 Q N 2.156 121.860 119.800 -0.160 0.000 2.279 217 Q HA 0.292 4.632 4.340 -0.001 0.000 0.261 217 Q C -0.627 174.973 176.000 -0.667 0.000 0.796 217 Q CA 0.730 56.238 55.803 -0.492 0.000 0.971 217 Q CB 1.041 29.274 28.738 -0.841 0.000 1.179 217 Q HN 0.593 nan 8.270 nan 0.000 0.505 218 F N 0.418 120.413 119.950 0.074 0.000 2.620 218 F HA 0.433 4.960 4.527 -0.000 0.000 0.320 218 F C 0.066 175.897 175.800 0.053 0.000 1.069 218 F CA -1.412 56.626 58.000 0.065 0.000 0.953 218 F CB 0.986 40.023 39.000 0.062 0.000 1.322 218 F HN -0.241 nan 8.300 nan 0.000 0.479 219 N N 1.237 120.092 118.700 0.260 0.000 2.476 219 N HA 0.258 4.998 4.740 -0.001 0.000 0.257 219 N C -0.975 174.608 175.510 0.121 0.000 0.970 219 N CA -0.613 52.533 53.050 0.161 0.000 0.938 219 N CB 1.006 39.568 38.487 0.124 0.000 1.144 219 N HN 0.613 nan 8.380 nan 0.000 0.500 220 R N 2.310 122.863 120.500 0.087 0.000 2.438 220 R HA 0.174 4.514 4.340 -0.001 0.000 0.287 220 R C -0.298 176.014 176.300 0.021 0.000 1.077 220 R CA -0.313 55.804 56.100 0.029 0.000 1.034 220 R CB 0.471 30.780 30.300 0.015 0.000 0.993 220 R HN 0.564 nan 8.270 nan 0.000 0.459 221 Q N 1.918 121.721 119.800 0.004 0.000 2.193 221 Q HA 0.228 4.568 4.340 -0.001 0.000 0.246 221 Q C 0.710 176.710 176.000 -0.001 0.000 0.959 221 Q CA 0.006 55.813 55.803 0.007 0.000 0.904 221 Q CB 1.487 30.229 28.738 0.007 0.000 1.238 221 Q HN 0.806 nan 8.270 nan 0.000 0.469 222 A N 1.321 124.142 122.820 0.000 0.000 1.972 222 A HA -0.215 4.105 4.320 -0.001 0.000 0.219 222 A C 1.237 178.817 177.584 -0.005 0.000 1.169 222 A CA 2.116 54.151 52.037 -0.004 0.000 0.635 222 A CB -0.488 18.510 19.000 -0.002 0.000 0.810 222 A HN 0.803 nan 8.150 nan 0.000 0.446 223 D N -2.578 117.820 120.400 -0.003 0.000 2.347 223 D HA 0.267 4.907 4.640 -0.001 0.000 0.215 223 D C 1.227 177.525 176.300 -0.005 0.000 0.976 223 D CA 1.175 55.174 54.000 -0.003 0.000 0.884 223 D CB -0.373 40.427 40.800 -0.000 0.000 0.915 223 D HN 0.786 nan 8.370 nan 0.000 0.526 224 G N -0.370 108.425 108.800 -0.009 0.000 2.195 224 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.224 224 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.224 224 G C 0.501 175.384 174.900 -0.029 0.000 0.990 224 G CA 0.206 45.298 45.100 -0.014 0.000 0.639 224 G HN 0.767 nan 8.290 nan 0.000 0.514 225 T N -0.102 114.436 114.554 -0.026 0.000 2.898 225 T HA 0.629 4.978 4.350 -0.001 0.000 0.301 225 T C 0.519 175.170 174.700 -0.082 0.000 1.049 225 T CA -0.181 61.895 62.100 -0.040 0.000 1.095 225 T CB 1.345 70.205 68.868 -0.013 0.000 0.976 225 T HN 0.129 nan 8.240 nan 0.000 0.539 226 M N 2.688 122.197 119.600 -0.151 0.000 2.066 226 M HA 0.343 4.823 4.480 -0.001 0.000 0.340 226 M C -0.115 176.171 176.300 -0.023 0.000 1.053 226 M CA -0.235 54.929 55.300 -0.226 0.000 0.983 226 M CB 0.807 32.952 32.600 -0.758 0.000 1.520 226 M HN 0.768 nan 8.290 nan 0.000 0.428 227 E N 4.518 124.780 120.200 0.104 0.000 2.156 227 E HA 0.391 4.741 4.350 -0.001 0.000 0.279 227 E C -2.297 174.473 176.600 0.284 0.000 0.965 227 E CA -1.826 54.674 56.400 0.165 0.000 0.789 227 E CB 1.185 30.948 29.700 0.104 0.000 1.098 227 E HN 0.287 nan 8.360 nan 0.000 0.397 228 P HA -0.043 nan 4.420 nan 0.000 0.266 228 P C -0.542 176.819 177.300 0.102 0.000 1.195 228 P CA 0.266 63.493 63.100 0.212 0.000 0.768 228 P CB 0.489 32.279 31.700 0.150 0.000 0.838 229 L N 5.553 126.796 121.223 0.033 0.000 2.436 229 L HA 0.191 4.531 4.340 -0.001 0.000 0.265 229 L C -0.917 175.963 176.870 0.017 0.000 1.168 229 L CA -1.545 53.321 54.840 0.043 0.000 0.815 229 L CB 0.110 42.202 42.059 0.054 0.000 1.109 229 L HN 0.345 nan 8.230 nan 0.000 0.462 230 P HA -0.100 nan 4.420 nan 0.000 0.216 230 P C -0.569 176.719 177.300 -0.019 0.000 1.150 230 P CA 1.453 64.557 63.100 0.007 0.000 0.837 230 P CB 0.228 31.936 31.700 0.012 0.000 0.786 231 K N -0.959 119.432 120.400 -0.016 0.000 2.541 231 K HA 0.359 4.679 4.320 -0.001 0.000 0.250 231 K C -2.838 173.712 176.600 -0.083 0.000 0.950 231 K CA -2.312 53.940 56.287 -0.060 0.000 0.805 231 K CB 1.905 34.384 32.500 -0.036 0.000 1.166 231 K HN -0.197 nan 8.250 nan 0.000 0.430 232 P HA 0.008 nan 4.420 nan 0.000 0.262 232 P C -0.861 176.285 177.300 -0.258 0.000 1.182 232 P CA 0.358 63.235 63.100 -0.372 0.000 0.761 232 P CB 0.748 31.889 31.700 -0.931 0.000 0.795 233 S N 0.937 116.713 115.700 0.127 0.000 2.732 233 S HA 0.638 5.107 4.470 -0.001 0.000 0.293 233 S C -0.840 174.039 174.600 0.464 0.000 1.159 233 S CA -0.660 57.727 58.200 0.312 0.000 0.847 233 S CB 1.482 64.989 63.200 0.512 0.000 1.169 233 S HN 0.102 nan 8.310 nan 0.000 0.501 234 V N 1.953 122.082 119.914 0.358 0.000 2.540 234 V HA 0.577 4.697 4.120 -0.001 0.000 0.302 234 V C -1.255 174.989 176.094 0.249 0.000 1.035 234 V CA -0.619 61.835 62.300 0.257 0.000 0.873 234 V CB 1.692 33.622 31.823 0.179 0.000 0.992 234 V HN 0.914 nan 8.190 nan 0.000 0.428 235 D N 3.068 123.519 120.400 0.085 0.000 2.505 235 D HA 0.572 5.212 4.640 -0.001 0.000 0.250 235 D C -0.262 175.966 176.300 -0.119 0.000 1.164 235 D CA -0.118 53.945 54.000 0.104 0.000 0.870 235 D CB 1.932 42.687 40.800 -0.075 0.000 1.160 235 D HN 0.729 nan 8.370 nan 0.000 0.549 236 T N 0.601 115.030 114.554 -0.207 0.000 2.930 236 T HA 0.895 5.244 4.350 -0.001 0.000 0.290 236 T C -0.842 173.791 174.700 -0.111 0.000 1.052 236 T CA -0.790 61.259 62.100 -0.084 0.000 1.017 236 T CB 1.711 70.684 68.868 0.174 0.000 1.137 236 T HN 0.639 nan 8.240 nan 0.000 0.511 237 A N 2.699 125.538 122.820 0.032 0.000 2.480 237 A HA 0.633 4.953 4.320 -0.001 0.000 0.289 237 A C -0.762 176.658 177.584 -0.274 0.000 1.044 237 A CA -0.792 51.143 52.037 -0.170 0.000 0.761 237 A CB 1.335 20.232 19.000 -0.172 0.000 1.289 237 A HN 1.161 nan 8.150 nan 0.000 0.401 238 M N 3.126 122.307 119.600 -0.699 0.000 2.294 238 M HA 0.629 5.109 4.480 -0.001 0.000 0.335 238 M C 0.464 176.496 176.300 -0.446 0.000 1.079 238 M CA -0.172 54.700 55.300 -0.714 0.000 0.982 238 M CB 1.375 33.223 32.600 -1.253 0.000 1.651 238 M HN 0.915 nan 8.290 nan 0.000 0.437 239 G N 4.256 112.899 108.800 -0.262 0.000 2.335 239 G HA2 0.217 4.176 3.960 -0.001 0.000 0.268 239 G HA3 0.217 4.176 3.960 -0.001 0.000 0.268 239 G C 0.380 175.172 174.900 -0.182 0.000 1.228 239 G CA -0.522 44.484 45.100 -0.155 0.000 0.968 239 G HN 0.889 nan 8.290 nan 0.000 0.459 240 L N 2.749 123.876 121.223 -0.160 0.000 2.012 240 L HA -0.063 4.277 4.340 -0.001 0.000 0.210 240 L C 2.479 179.284 176.870 -0.107 0.000 1.073 240 L CA 2.143 56.880 54.840 -0.172 0.000 0.748 240 L CB -0.477 41.489 42.059 -0.156 0.000 0.891 240 L HN 0.574 nan 8.230 nan 0.000 0.431 241 E N -0.346 119.841 120.200 -0.023 0.000 2.110 241 E HA -0.173 4.176 4.350 -0.001 0.000 0.193 241 E C 2.295 178.879 176.600 -0.026 0.000 0.988 241 E CA 1.425 57.845 56.400 0.034 0.000 0.804 241 E CB -0.220 29.609 29.700 0.215 0.000 0.745 241 E HN 0.470 nan 8.360 nan 0.000 0.458 242 R N -0.159 120.298 120.500 -0.073 0.000 2.073 242 R HA -0.027 4.313 4.340 -0.001 0.000 0.229 242 R C 2.286 178.522 176.300 -0.106 0.000 1.120 242 R CA 1.032 57.078 56.100 -0.090 0.000 0.967 242 R CB -0.357 29.873 30.300 -0.117 0.000 0.862 242 R HN 0.152 nan 8.270 nan 0.000 0.436 243 I N 1.001 121.476 120.570 -0.159 0.000 2.439 243 I HA -0.110 4.060 4.170 -0.001 0.000 0.251 243 I C 2.063 178.019 176.117 -0.268 0.000 1.139 243 I CA 0.921 62.086 61.300 -0.225 0.000 1.438 243 I CB -0.252 37.607 38.000 -0.234 0.000 1.085 243 I HN 0.103 nan 8.210 nan 0.000 0.427 244 A N 0.544 123.240 122.820 -0.207 0.000 1.902 244 A HA -0.127 4.192 4.320 -0.001 0.000 0.217 244 A C 2.517 180.005 177.584 -0.161 0.000 1.181 244 A CA 1.837 53.760 52.037 -0.190 0.000 0.623 244 A CB -1.276 17.652 19.000 -0.120 0.000 0.818 244 A HN 0.513 nan 8.150 nan 0.000 0.443 245 A N -0.511 122.248 122.820 -0.102 0.000 1.877 245 A HA -0.020 4.300 4.320 -0.001 0.000 0.216 245 A C 2.244 179.785 177.584 -0.072 0.000 1.186 245 A CA 1.861 53.872 52.037 -0.044 0.000 0.620 245 A CB -1.010 17.993 19.000 0.004 0.000 0.822 245 A HN 0.409 nan 8.150 nan 0.000 0.443 246 V N 0.085 119.893 119.914 -0.177 0.000 2.255 246 V HA -0.271 3.848 4.120 -0.001 0.000 0.247 246 V C 2.548 178.345 176.094 -0.495 0.000 1.051 246 V CA 2.084 64.123 62.300 -0.435 0.000 1.018 246 V CB -0.790 30.577 31.823 -0.759 0.000 0.641 246 V HN 0.569 nan 8.190 nan 0.000 0.445 247 L N -0.667 120.271 121.223 -0.475 0.000 2.217 247 L HA -0.145 4.194 4.340 -0.001 0.000 0.211 247 L C 2.328 178.840 176.870 -0.596 0.000 1.107 247 L CA 1.283 55.801 54.840 -0.537 0.000 0.783 247 L CB -0.387 41.373 42.059 -0.498 0.000 0.919 247 L HN 0.394 nan 8.230 nan 0.000 0.442 248 Q N -1.221 118.346 119.800 -0.389 0.000 2.320 248 Q HA 0.034 4.374 4.340 -0.001 0.000 0.201 248 Q C -0.366 175.578 176.000 -0.093 0.000 0.910 248 Q CA -0.115 55.561 55.803 -0.211 0.000 0.946 248 Q CB 0.350 29.034 28.738 -0.090 0.000 1.062 248 Q HN 0.411 nan 8.270 nan 0.000 0.503 249 H N -1.599 117.448 119.070 -0.038 0.000 2.886 249 H HA -0.126 4.429 4.556 -0.001 0.000 0.294 249 H C -0.181 175.163 175.328 0.026 0.000 1.246 249 H CA 0.879 56.924 56.048 -0.005 0.000 1.142 249 H CB -2.484 27.271 29.762 -0.012 0.000 1.358 249 H HN 0.219 nan 8.280 nan 0.000 0.406 250 V N -3.328 116.645 119.914 0.098 0.000 3.158 250 V HA 0.472 4.591 4.120 -0.001 0.000 0.315 250 V C 0.821 176.983 176.094 0.113 0.000 1.148 250 V CA -0.386 61.968 62.300 0.089 0.000 1.042 250 V CB 2.222 34.076 31.823 0.053 0.000 1.101 250 V HN 0.155 nan 8.190 nan 0.000 0.448 251 N N -0.049 118.664 118.700 0.022 0.000 2.463 251 N HA 0.131 4.870 4.740 -0.001 0.000 0.183 251 N C 0.701 176.048 175.510 -0.273 0.000 1.064 251 N CA 0.484 53.431 53.050 -0.172 0.000 0.879 251 N CB 0.486 38.913 38.487 -0.100 0.000 1.148 251 N HN 0.696 nan 8.380 nan 0.000 0.451 252 S N 0.131 115.772 115.700 -0.099 0.000 2.541 252 S HA 0.246 4.715 4.470 -0.001 0.000 0.283 252 S C 0.669 175.237 174.600 -0.054 0.000 1.196 252 S CA -0.706 57.456 58.200 -0.063 0.000 1.062 252 S CB 0.791 64.013 63.200 0.036 0.000 1.009 252 S HN 0.066 nan 8.310 nan 0.000 0.502 253 N N 2.568 121.189 118.700 -0.131 0.000 2.192 253 N HA -0.114 4.626 4.740 -0.001 0.000 0.188 253 N C 0.726 176.137 175.510 -0.165 0.000 1.013 253 N CA 1.625 54.580 53.050 -0.159 0.000 0.863 253 N CB -0.542 37.778 38.487 -0.279 0.000 0.990 253 N HN 0.722 nan 8.380 nan 0.000 0.430 254 Y N 0.425 120.670 120.300 -0.092 0.000 2.578 254 Y HA 0.022 4.572 4.550 -0.001 0.000 0.297 254 Y C 1.106 177.035 175.900 0.048 0.000 1.176 254 Y CA 0.388 58.403 58.100 -0.141 0.000 1.315 254 Y CB 0.162 38.477 38.460 -0.242 0.000 1.031 254 Y HN 0.012 nan 8.280 nan 0.000 0.524 255 D N 0.240 120.727 120.400 0.145 0.000 2.369 255 D HA 0.101 4.740 4.640 -0.001 0.000 0.211 255 D C 0.783 177.143 176.300 0.100 0.000 1.077 255 D CA 0.151 54.219 54.000 0.113 0.000 0.842 255 D CB 0.056 40.898 40.800 0.070 0.000 0.947 255 D HN 0.383 nan 8.370 nan 0.000 0.509 256 I N -0.544 120.099 120.570 0.122 0.000 2.945 256 I HA 0.063 4.233 4.170 -0.001 0.000 0.292 256 I C 1.514 177.678 176.117 0.079 0.000 1.093 256 I CA -0.703 60.645 61.300 0.080 0.000 1.336 256 I CB 0.903 38.942 38.000 0.065 0.000 1.435 256 I HN -0.299 nan 8.210 nan 0.000 0.593 257 D N 3.386 123.802 120.400 0.027 0.000 2.133 257 D HA -0.308 4.331 4.640 -0.001 0.000 0.192 257 D C 1.873 178.171 176.300 -0.003 0.000 1.001 257 D CA 1.842 55.849 54.000 0.012 0.000 0.844 257 D CB -0.458 40.335 40.800 -0.011 0.000 0.944 257 D HN 0.779 nan 8.370 nan 0.000 0.447 258 L N -1.121 120.073 121.223 -0.049 0.000 1.990 258 L HA -0.174 4.166 4.340 -0.001 0.000 0.213 258 L C 2.637 179.413 176.870 -0.157 0.000 1.072 258 L CA 1.586 56.334 54.840 -0.154 0.000 0.755 258 L CB -0.335 41.555 42.059 -0.281 0.000 0.889 258 L HN -0.080 nan 8.230 nan 0.000 0.432 259 F N -0.625 119.327 119.950 0.004 0.000 2.367 259 F HA -0.082 4.445 4.527 -0.001 0.000 0.298 259 F C 2.626 178.465 175.800 0.064 0.000 1.094 259 F CA 0.654 58.684 58.000 0.050 0.000 1.409 259 F CB -0.099 38.953 39.000 0.086 0.000 1.064 259 F HN -0.043 nan 8.300 nan 0.000 0.528 260 R N -0.355 120.270 120.500 0.207 0.000 2.073 260 R HA -0.127 4.213 4.340 -0.001 0.000 0.234 260 R C 2.069 178.421 176.300 0.086 0.000 1.134 260 R CA 1.965 58.144 56.100 0.130 0.000 0.952 260 R CB -0.951 29.401 30.300 0.087 0.000 0.850 260 R HN 0.176 nan 8.270 nan 0.000 0.433 261 T N 1.556 116.141 114.554 0.053 0.000 2.821 261 T HA -0.107 4.243 4.350 -0.001 0.000 0.267 261 T C 1.685 176.402 174.700 0.028 0.000 1.046 261 T CA 0.838 62.952 62.100 0.023 0.000 1.139 261 T CB -0.150 68.714 68.868 -0.006 0.000 0.871 261 T HN 0.032 nan 8.240 nan 0.000 0.454 262 L N 0.917 122.164 121.223 0.042 0.000 2.056 262 L HA 0.144 4.484 4.340 -0.001 0.000 0.207 262 L C 2.118 179.050 176.870 0.102 0.000 1.078 262 L CA 1.402 56.275 54.840 0.054 0.000 0.749 262 L CB -0.618 41.467 42.059 0.044 0.000 0.901 262 L HN 0.260 nan 8.230 nan 0.000 0.433 263 I N -1.044 119.614 120.570 0.146 0.000 2.286 263 I HA -0.333 3.836 4.170 -0.001 0.000 0.248 263 I C 2.453 178.604 176.117 0.057 0.000 1.115 263 I CA 1.076 62.442 61.300 0.111 0.000 1.392 263 I CB -0.271 37.799 38.000 0.115 0.000 1.065 263 I HN 0.394 nan 8.210 nan 0.000 0.418 264 Q N 0.506 120.335 119.800 0.048 0.000 2.096 264 Q HA -0.224 4.115 4.340 -0.001 0.000 0.204 264 Q C 2.476 178.486 176.000 0.015 0.000 0.982 264 Q CA 1.893 57.710 55.803 0.024 0.000 0.850 264 Q CB -0.303 28.447 28.738 0.019 0.000 0.901 264 Q HN 0.605 nan 8.270 nan 0.000 0.422 265 A N 0.170 123.002 122.820 0.020 0.000 1.902 265 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 265 A C 2.316 179.915 177.584 0.025 0.000 1.181 265 A CA 1.304 53.348 52.037 0.012 0.000 0.623 265 A CB -0.643 18.359 19.000 0.003 0.000 0.818 265 A HN 0.218 nan 8.150 nan 0.000 0.443 266 V N -0.065 119.876 119.914 0.046 0.000 2.343 266 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 266 V C 3.058 179.149 176.094 -0.004 0.000 1.051 266 V CA 1.949 64.283 62.300 0.057 0.000 1.036 266 V CB -1.289 30.581 31.823 0.078 0.000 0.654 266 V HN 0.613 nan 8.190 nan 0.000 0.451 267 A N -0.177 122.636 122.820 -0.012 0.000 1.908 267 A HA -0.288 4.032 4.320 -0.001 0.000 0.218 267 A C 2.349 179.911 177.584 -0.037 0.000 1.181 267 A CA 2.287 54.304 52.037 -0.034 0.000 0.627 267 A CB -0.507 18.479 19.000 -0.023 0.000 0.818 267 A HN 0.551 nan 8.150 nan 0.000 0.445 268 K N 0.032 120.420 120.400 -0.020 0.000 2.026 268 K HA -0.131 4.189 4.320 -0.001 0.000 0.208 268 K C 1.845 178.432 176.600 -0.022 0.000 1.048 268 K CA 1.972 58.248 56.287 -0.019 0.000 0.929 268 K CB -0.323 32.171 32.500 -0.011 0.000 0.713 268 K HN 0.452 nan 8.250 nan 0.000 0.439 269 V N -1.136 118.770 119.914 -0.013 0.000 2.719 269 V HA -0.069 4.051 4.120 -0.001 0.000 0.252 269 V C 1.972 178.035 176.094 -0.051 0.000 1.065 269 V CA 1.738 64.041 62.300 0.006 0.000 1.086 269 V CB -0.633 31.237 31.823 0.079 0.000 0.700 269 V HN 0.484 nan 8.190 nan 0.000 0.467 270 T N -3.183 111.281 114.554 -0.149 0.000 3.057 270 T HA 0.385 4.735 4.350 -0.001 0.000 0.254 270 T C 1.752 176.357 174.700 -0.158 0.000 1.094 270 T CA 0.921 62.852 62.100 -0.281 0.000 1.088 270 T CB 0.225 68.858 68.868 -0.393 0.000 0.934 270 T HN 1.599 nan 8.240 nan 0.000 0.497 271 G N 1.431 110.173 108.800 -0.097 0.000 2.136 271 G HA2 0.000 3.960 3.960 -0.001 0.000 0.242 271 G HA3 0.000 3.960 3.960 -0.001 0.000 0.242 271 G C 0.239 175.099 174.900 -0.066 0.000 0.989 271 G CA -0.062 44.998 45.100 -0.066 0.000 0.682 271 G HN 1.140 nan 8.290 nan 0.000 0.522 272 A N -0.431 122.343 122.820 -0.078 0.000 2.351 272 A HA 0.795 5.115 4.320 -0.001 0.000 0.257 272 A C 1.447 179.003 177.584 -0.047 0.000 1.087 272 A CA 1.223 53.220 52.037 -0.067 0.000 0.798 272 A CB 0.580 19.533 19.000 -0.078 0.000 1.033 272 A HN 1.409 nan 8.150 nan 0.000 0.488 273 T N -2.186 112.344 114.554 -0.041 0.000 2.964 273 T HA 0.120 4.469 4.350 -0.001 0.000 0.249 273 T C 0.205 174.887 174.700 -0.029 0.000 1.000 273 T CA 0.587 62.669 62.100 -0.031 0.000 0.992 273 T CB -0.175 68.677 68.868 -0.026 0.000 1.087 273 T HN 0.539 nan 8.240 nan 0.000 0.489 274 D N 1.814 122.194 120.400 -0.035 0.000 2.402 274 D HA 0.208 4.848 4.640 -0.001 0.000 0.235 274 D C 0.851 177.128 176.300 -0.039 0.000 1.226 274 D CA -0.528 53.451 54.000 -0.035 0.000 0.918 274 D CB 0.087 40.864 40.800 -0.039 0.000 1.043 274 D HN 0.288 nan 8.370 nan 0.000 0.506 275 L N 2.492 123.697 121.223 -0.030 0.000 2.700 275 L HA -0.057 4.282 4.340 -0.001 0.000 0.240 275 L C 1.798 178.644 176.870 -0.038 0.000 1.162 275 L CA 0.473 55.296 54.840 -0.028 0.000 0.874 275 L CB -0.356 41.696 42.059 -0.011 0.000 1.001 275 L HN 0.352 nan 8.230 nan 0.000 0.447 276 S N -2.827 112.845 115.700 -0.047 0.000 2.523 276 S HA 0.032 4.501 4.470 -0.001 0.000 0.217 276 S C 0.871 175.420 174.600 -0.086 0.000 0.996 276 S CA -0.531 57.633 58.200 -0.059 0.000 0.921 276 S CB -0.099 63.075 63.200 -0.044 0.000 0.829 276 S HN 0.359 nan 8.310 nan 0.000 0.495 277 N N 3.231 121.881 118.700 -0.084 0.000 2.454 277 N HA 0.012 4.752 4.740 -0.001 0.000 0.260 277 N C 1.059 176.484 175.510 -0.141 0.000 1.218 277 N CA 0.320 53.311 53.050 -0.098 0.000 0.904 277 N CB 1.105 39.545 38.487 -0.078 0.000 1.065 277 N HN 0.649 nan 8.380 nan 0.000 0.462 278 K N 1.594 121.893 120.400 -0.169 0.000 2.280 278 K HA -0.052 4.268 4.320 -0.001 0.000 0.202 278 K C 1.358 177.796 176.600 -0.271 0.000 1.047 278 K CA 1.154 57.290 56.287 -0.253 0.000 0.942 278 K CB 0.029 32.354 32.500 -0.291 0.000 0.739 278 K HN 0.272 nan 8.250 nan 0.000 0.457 279 S N 1.254 116.856 115.700 -0.163 0.000 2.419 279 S HA -0.001 4.468 4.470 -0.001 0.000 0.233 279 S C 1.735 176.228 174.600 -0.178 0.000 1.016 279 S CA 0.959 59.079 58.200 -0.133 0.000 0.974 279 S CB -0.259 62.984 63.200 0.072 0.000 0.786 279 S HN 0.265 nan 8.310 nan 0.000 0.492 280 L N 0.798 121.931 121.223 -0.149 0.000 2.093 280 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 280 L C 2.666 179.450 176.870 -0.143 0.000 1.085 280 L CA 1.191 55.965 54.840 -0.110 0.000 0.755 280 L CB -0.366 41.643 42.059 -0.083 0.000 0.904 280 L HN 0.233 nan 8.230 nan 0.000 0.435 281 R N -0.779 119.546 120.500 -0.293 0.000 2.090 281 R HA -0.082 4.257 4.340 -0.001 0.000 0.228 281 R C 2.241 178.307 176.300 -0.390 0.000 1.110 281 R CA 0.953 56.753 56.100 -0.500 0.000 0.973 281 R CB -0.411 29.294 30.300 -0.991 0.000 0.869 281 R HN 0.175 nan 8.270 nan 0.000 0.440 282 V N 1.655 121.306 119.914 -0.438 0.000 2.295 282 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 282 V C 2.282 178.089 176.094 -0.478 0.000 1.049 282 V CA 1.780 63.743 62.300 -0.562 0.000 1.024 282 V CB -0.370 30.890 31.823 -0.938 0.000 0.648 282 V HN 0.260 nan 8.190 nan 0.000 0.447 283 I N 0.365 120.788 120.570 -0.245 0.000 2.252 283 I HA -0.216 3.954 4.170 -0.001 0.000 0.245 283 I C 2.676 178.938 176.117 0.240 0.000 1.102 283 I CA 1.385 62.723 61.300 0.064 0.000 1.385 283 I CB -0.631 37.482 38.000 0.187 0.000 1.064 283 I HN 0.285 nan 8.210 nan 0.000 0.414 284 A N 0.634 123.569 122.820 0.190 0.000 1.908 284 A HA -0.327 3.993 4.320 -0.001 0.000 0.218 284 A C 1.990 179.835 177.584 0.436 0.000 1.181 284 A CA 2.478 54.706 52.037 0.318 0.000 0.627 284 A CB -0.817 18.424 19.000 0.403 0.000 0.818 284 A HN 0.511 nan 8.150 nan 0.000 0.445 285 D N -1.799 118.855 120.400 0.424 0.000 2.117 285 D HA -0.187 4.452 4.640 -0.001 0.000 0.198 285 D C 1.746 178.340 176.300 0.491 0.000 0.982 285 D CA 1.442 55.739 54.000 0.494 0.000 0.828 285 D CB -0.137 40.953 40.800 0.482 0.000 0.967 285 D HN 0.520 nan 8.370 nan 0.000 0.464 286 H N -0.559 118.679 119.070 0.281 0.000 2.423 286 H HA 0.019 4.575 4.556 -0.001 0.000 0.297 286 H C 1.843 177.404 175.328 0.389 0.000 1.075 286 H CA 0.786 57.014 56.048 0.300 0.000 1.342 286 H CB -0.435 29.468 29.762 0.234 0.000 1.395 286 H HN 0.231 nan 8.280 nan 0.000 0.530 287 I N 0.995 121.848 120.570 0.473 0.000 2.286 287 I HA -0.210 3.960 4.170 -0.001 0.000 0.248 287 I C 2.105 178.210 176.117 -0.021 0.000 1.115 287 I CA 1.206 62.538 61.300 0.054 0.000 1.392 287 I CB -0.186 37.716 38.000 -0.163 0.000 1.065 287 I HN 0.062 nan 8.210 nan 0.000 0.418 288 R N 0.225 120.740 120.500 0.024 0.000 2.070 288 R HA -0.144 4.196 4.340 -0.001 0.000 0.233 288 R C 2.434 178.613 176.300 -0.203 0.000 1.137 288 R CA 1.988 57.972 56.100 -0.193 0.000 0.945 288 R CB -1.086 29.048 30.300 -0.277 0.000 0.845 288 R HN 0.561 nan 8.270 nan 0.000 0.430 289 S N 0.734 116.473 115.700 0.065 0.000 2.356 289 S HA -0.162 4.308 4.470 -0.001 0.000 0.223 289 S C 2.452 177.087 174.600 0.059 0.000 1.032 289 S CA 1.338 59.626 58.200 0.146 0.000 1.005 289 S CB -0.799 62.508 63.200 0.178 0.000 0.867 289 S HN 0.350 nan 8.310 nan 0.000 0.449 290 C N 2.305 121.649 119.300 0.072 0.000 2.436 290 C HA 0.179 4.639 4.460 -0.001 0.000 0.277 290 C C 3.396 178.373 174.990 -0.022 0.000 1.241 290 C CA 0.635 59.688 59.018 0.057 0.000 1.721 290 C CB -1.730 26.140 27.740 0.216 0.000 2.043 290 C HN 0.754 nan 8.230 nan 0.000 0.472 291 A N -0.267 122.493 122.820 -0.100 0.000 1.902 291 A HA -0.115 4.204 4.320 -0.001 0.000 0.217 291 A C 1.881 179.328 177.584 -0.229 0.000 1.181 291 A CA 1.540 53.450 52.037 -0.211 0.000 0.623 291 A CB -0.819 17.983 19.000 -0.331 0.000 0.818 291 A HN 0.524 nan 8.150 nan 0.000 0.443 292 F N -0.116 119.711 119.950 -0.205 0.000 2.186 292 F HA -0.045 4.482 4.527 -0.001 0.000 0.299 292 F C 2.097 177.856 175.800 -0.068 0.000 1.090 292 F CA 1.131 59.050 58.000 -0.134 0.000 1.307 292 F CB -0.292 38.625 39.000 -0.138 0.000 1.019 292 F HN 0.093 nan 8.300 nan 0.000 0.489 293 L N -0.411 120.855 121.223 0.072 0.000 2.046 293 L HA -0.236 4.104 4.340 -0.001 0.000 0.208 293 L C 2.292 179.160 176.870 -0.004 0.000 1.077 293 L CA 1.304 56.126 54.840 -0.031 0.000 0.747 293 L CB -0.618 41.335 42.059 -0.176 0.000 0.896 293 L HN 0.130 nan 8.230 nan 0.000 0.432 294 I N -0.227 120.332 120.570 -0.019 0.000 2.226 294 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 294 I C 2.774 178.875 176.117 -0.026 0.000 1.100 294 I CA 1.135 62.423 61.300 -0.019 0.000 1.374 294 I CB -0.485 37.493 38.000 -0.037 0.000 1.057 294 I HN 0.188 nan 8.210 nan 0.000 0.413 295 A N 0.132 122.916 122.820 -0.061 0.000 1.972 295 A HA -0.219 4.101 4.320 -0.001 0.000 0.219 295 A C 1.682 179.265 177.584 -0.003 0.000 1.169 295 A CA 1.909 53.906 52.037 -0.067 0.000 0.635 295 A CB -0.450 18.457 19.000 -0.154 0.000 0.810 295 A HN 0.340 nan 8.150 nan 0.000 0.446 296 D N -1.704 118.718 120.400 0.038 0.000 2.328 296 D HA 0.323 4.962 4.640 -0.001 0.000 0.226 296 D C 1.252 177.593 176.300 0.069 0.000 1.066 296 D CA 1.076 55.116 54.000 0.067 0.000 0.861 296 D CB 0.294 41.155 40.800 0.101 0.000 0.912 296 D HN 0.580 nan 8.370 nan 0.000 0.521 297 G N -0.397 108.435 108.800 0.053 0.000 2.192 297 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.193 297 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.193 297 G C 0.314 175.259 174.900 0.075 0.000 0.999 297 G CA -0.068 45.068 45.100 0.061 0.000 0.659 297 G HN 0.230 nan 8.290 nan 0.000 0.503 298 V N 3.042 123.007 119.914 0.084 0.000 2.555 298 V HA 0.618 4.738 4.120 -0.001 0.000 0.286 298 V C 0.674 176.813 176.094 0.074 0.000 1.044 298 V CA 0.084 62.449 62.300 0.107 0.000 1.026 298 V CB 1.405 33.310 31.823 0.137 0.000 0.981 298 V HN 0.307 nan 8.190 nan 0.000 0.480 299 M N 5.820 125.468 119.600 0.079 0.000 2.383 299 M HA 0.481 4.960 4.480 -0.001 0.000 0.325 299 M C -2.652 173.694 176.300 0.077 0.000 1.092 299 M CA -2.660 52.677 55.300 0.062 0.000 0.961 299 M CB 1.490 34.119 32.600 0.049 0.000 1.672 299 M HN 0.292 nan 8.290 nan 0.000 0.438 300 P HA 0.144 nan 4.420 nan 0.000 0.266 300 P C -0.477 176.875 177.300 0.087 0.000 1.195 300 P CA 0.196 63.343 63.100 0.079 0.000 0.768 300 P CB 0.587 32.321 31.700 0.057 0.000 0.838 301 S N 1.480 117.254 115.700 0.123 0.000 2.724 301 S HA 0.361 4.831 4.470 -0.001 0.000 0.278 301 S C -0.224 174.472 174.600 0.161 0.000 1.190 301 S CA -0.743 57.522 58.200 0.108 0.000 0.860 301 S CB 0.687 63.938 63.200 0.086 0.000 1.206 301 S HN 0.220 nan 8.310 nan 0.000 0.507 302 N N 1.418 120.151 118.700 0.055 0.000 2.238 302 N HA 0.289 5.029 4.740 -0.001 0.000 0.222 302 N C -0.950 174.441 175.510 -0.199 0.000 1.133 302 N CA 0.171 53.153 53.050 -0.113 0.000 0.854 302 N CB 0.307 38.698 38.487 -0.161 0.000 1.041 302 N HN 0.750 nan 8.380 nan 0.000 0.510 303 E N -0.935 119.271 120.200 0.009 0.000 2.356 303 E HA 0.467 4.817 4.350 -0.001 0.000 0.275 303 E C 0.286 176.955 176.600 0.115 0.000 0.904 303 E CA -0.824 55.593 56.400 0.028 0.000 0.757 303 E CB 1.119 30.820 29.700 0.000 0.000 1.232 303 E HN -0.235 nan 8.360 nan 0.000 0.442 304 N N 1.085 119.848 118.700 0.106 0.000 1.156 304 N HA -0.337 4.403 4.740 -0.001 0.000 0.125 304 N C 1.105 176.673 175.510 0.097 0.000 0.726 304 N CA 1.863 54.956 53.050 0.072 0.000 0.887 304 N CB -0.795 37.706 38.487 0.024 0.000 1.163 304 N HN 0.749 nan 8.380 nan 0.000 0.564 305 R N 0.841 121.375 120.500 0.057 0.000 2.081 305 R HA -0.055 4.285 4.340 -0.001 0.000 0.235 305 R C 2.349 178.813 176.300 0.273 0.000 1.131 305 R CA 1.721 57.903 56.100 0.136 0.000 0.960 305 R CB -0.800 29.595 30.300 0.158 0.000 0.856 305 R HN 0.678 nan 8.270 nan 0.000 0.436 306 G N 0.018 108.939 108.800 0.202 0.000 2.450 306 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.220 306 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.220 306 G C 1.165 176.200 174.900 0.225 0.000 1.130 306 G CA 0.562 45.775 45.100 0.188 0.000 0.760 306 G HN 0.309 nan 8.290 nan 0.000 0.557 307 Y N 1.104 121.458 120.300 0.089 0.000 2.286 307 Y HA 0.021 4.571 4.550 -0.000 0.000 0.293 307 Y C 2.785 178.737 175.900 0.087 0.000 1.124 307 Y CA 0.567 58.712 58.100 0.076 0.000 1.178 307 Y CB -0.201 38.305 38.460 0.077 0.000 1.010 307 Y HN 0.047 nan 8.280 nan 0.000 0.536 308 V N 0.128 120.106 119.914 0.108 0.000 2.343 308 V HA -0.289 3.830 4.120 -0.001 0.000 0.247 308 V C 2.387 178.501 176.094 0.033 0.000 1.051 308 V CA 1.738 64.076 62.300 0.064 0.000 1.036 308 V CB -1.086 30.905 31.823 0.281 0.000 0.654 308 V HN 0.425 nan 8.190 nan 0.000 0.451 309 L N 0.750 122.037 121.223 0.106 0.000 2.012 309 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 309 L C 2.614 179.470 176.870 -0.023 0.000 1.073 309 L CA 2.420 57.283 54.840 0.038 0.000 0.748 309 L CB -0.808 41.295 42.059 0.073 0.000 0.891 309 L HN 0.278 nan 8.230 nan 0.000 0.431 310 R N -0.667 119.819 120.500 -0.022 0.000 2.091 310 R HA -0.189 4.151 4.340 -0.001 0.000 0.238 310 R C 2.451 178.627 176.300 -0.206 0.000 1.136 310 R CA 1.792 57.848 56.100 -0.074 0.000 0.959 310 R CB -0.248 30.065 30.300 0.022 0.000 0.856 310 R HN 0.351 nan 8.270 nan 0.000 0.437 311 R N 0.107 120.422 120.500 -0.308 0.000 2.083 311 R HA -0.113 4.227 4.340 -0.001 0.000 0.237 311 R C 2.374 178.532 176.300 -0.236 0.000 1.137 311 R CA 2.071 57.964 56.100 -0.344 0.000 0.951 311 R CB -0.406 29.645 30.300 -0.414 0.000 0.851 311 R HN 0.324 nan 8.270 nan 0.000 0.434 312 I N 0.394 120.844 120.570 -0.200 0.000 2.252 312 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 312 I C 2.246 178.247 176.117 -0.192 0.000 1.102 312 I CA 1.248 62.398 61.300 -0.251 0.000 1.385 312 I CB -0.284 37.548 38.000 -0.280 0.000 1.064 312 I HN 0.129 nan 8.210 nan 0.000 0.414 313 I N 0.599 121.088 120.570 -0.135 0.000 2.163 313 I HA -0.306 3.864 4.170 -0.001 0.000 0.243 313 I C 2.771 178.734 176.117 -0.257 0.000 1.085 313 I CA 1.572 62.780 61.300 -0.153 0.000 1.347 313 I CB -0.414 37.571 38.000 -0.024 0.000 1.044 313 I HN 0.155 nan 8.210 nan 0.000 0.408 314 R N 0.285 120.619 120.500 -0.277 0.000 2.092 314 R HA -0.111 4.229 4.340 -0.001 0.000 0.231 314 R C 2.448 178.651 176.300 -0.162 0.000 1.119 314 R CA 1.085 56.950 56.100 -0.392 0.000 0.970 314 R CB -0.289 29.452 30.300 -0.932 0.000 0.864 314 R HN 0.358 nan 8.270 nan 0.000 0.440 315 R N 0.310 120.745 120.500 -0.108 0.000 2.096 315 R HA -0.066 4.273 4.340 -0.001 0.000 0.235 315 R C 2.333 178.759 176.300 0.211 0.000 1.127 315 R CA 1.347 57.491 56.100 0.074 0.000 0.968 315 R CB -0.299 30.093 30.300 0.154 0.000 0.861 315 R HN 0.197 nan 8.270 nan 0.000 0.440 316 A N 0.532 123.418 122.820 0.111 0.000 1.902 316 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 316 A C 2.312 179.888 177.584 -0.013 0.000 1.181 316 A CA 1.384 53.400 52.037 -0.034 0.000 0.623 316 A CB -0.531 18.127 19.000 -0.571 0.000 0.818 316 A HN 0.121 nan 8.150 nan 0.000 0.443 317 V N 0.228 120.076 119.914 -0.110 0.000 2.343 317 V HA -0.227 3.893 4.120 -0.001 0.000 0.247 317 V C 2.737 178.964 176.094 0.221 0.000 1.051 317 V CA 2.075 64.444 62.300 0.115 0.000 1.036 317 V CB -0.833 31.058 31.823 0.113 0.000 0.654 317 V HN 0.543 nan 8.190 nan 0.000 0.451 318 R N -0.472 120.116 120.500 0.146 0.000 2.083 318 R HA -0.171 4.169 4.340 -0.001 0.000 0.237 318 R C 2.284 178.567 176.300 -0.029 0.000 1.137 318 R CA 1.832 57.951 56.100 0.033 0.000 0.951 318 R CB -0.745 29.525 30.300 -0.049 0.000 0.851 318 R HN 0.608 nan 8.270 nan 0.000 0.434 319 H N -1.256 117.828 119.070 0.024 0.000 2.387 319 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 319 H C 1.853 177.157 175.328 -0.040 0.000 1.090 319 H CA 1.514 57.550 56.048 -0.019 0.000 1.332 319 H CB -0.190 29.541 29.762 -0.051 0.000 1.386 319 H HN 0.408 nan 8.280 nan 0.000 0.516 320 G N 1.005 109.886 108.800 0.136 0.000 2.422 320 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.218 320 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.218 320 G C 1.691 176.502 174.900 -0.149 0.000 1.146 320 G CA 0.640 45.623 45.100 -0.194 0.000 0.769 320 G HN 0.404 nan 8.290 nan 0.000 0.547 321 N N 0.397 119.098 118.700 0.002 0.000 2.120 321 N HA -0.087 4.653 4.740 -0.001 0.000 0.188 321 N C 2.202 177.678 175.510 -0.056 0.000 1.024 321 N CA 1.354 54.391 53.050 -0.020 0.000 0.852 321 N CB -0.261 38.223 38.487 -0.006 0.000 1.003 321 N HN 0.367 nan 8.380 nan 0.000 0.424 322 M N 0.498 120.059 119.600 -0.066 0.000 2.159 322 M HA -0.072 4.408 4.480 -0.001 0.000 0.263 322 M C 1.722 177.981 176.300 -0.068 0.000 1.063 322 M CA 1.152 56.409 55.300 -0.071 0.000 1.110 322 M CB 0.087 32.633 32.600 -0.090 0.000 1.374 322 M HN 0.135 nan 8.290 nan 0.000 0.411 323 L N -0.522 120.649 121.223 -0.086 0.000 2.478 323 L HA 0.086 4.426 4.340 -0.001 0.000 0.223 323 L C 1.227 178.033 176.870 -0.106 0.000 1.140 323 L CA 0.578 55.357 54.840 -0.101 0.000 0.842 323 L CB -0.426 41.550 42.059 -0.137 0.000 0.953 323 L HN 0.675 nan 8.230 nan 0.000 0.452 324 G N -0.015 108.724 108.800 -0.101 0.000 2.130 324 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.216 324 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.216 324 G C 0.321 175.165 174.900 -0.093 0.000 0.999 324 G CA -0.182 44.870 45.100 -0.080 0.000 0.686 324 G HN 0.453 nan 8.290 nan 0.000 0.515 325 A N -0.512 122.219 122.820 -0.148 0.000 2.548 325 A HA 0.591 4.911 4.320 -0.001 0.000 0.247 325 A C 1.211 178.781 177.584 -0.023 0.000 1.067 325 A CA 1.331 53.280 52.037 -0.147 0.000 0.757 325 A CB 0.302 19.102 19.000 -0.333 0.000 0.996 325 A HN 0.391 nan 8.150 nan 0.000 0.504 326 K N 0.509 120.911 120.400 0.003 0.000 2.352 326 K HA 0.095 4.415 4.320 -0.001 0.000 0.194 326 K C 0.374 177.014 176.600 0.067 0.000 1.038 326 K CA 1.159 57.463 56.287 0.028 0.000 1.023 326 K CB 0.349 32.858 32.500 0.015 0.000 0.840 326 K HN 0.930 nan 8.250 nan 0.000 0.519 327 E N -1.468 118.797 120.200 0.108 0.000 2.429 327 E HA 0.284 4.634 4.350 -0.001 0.000 0.276 327 E C -1.086 175.665 176.600 0.252 0.000 0.953 327 E CA -1.009 55.480 56.400 0.148 0.000 0.787 327 E CB 0.841 30.612 29.700 0.118 0.000 1.307 327 E HN -0.241 nan 8.360 nan 0.000 0.458 328 T N 1.849 116.547 114.554 0.240 0.000 2.800 328 T HA 0.010 4.360 4.350 -0.001 0.000 0.283 328 T C 0.092 174.986 174.700 0.324 0.000 0.999 328 T CA 0.805 63.075 62.100 0.284 0.000 1.176 328 T CB -0.397 68.638 68.868 0.279 0.000 0.973 328 T HN 0.526 nan 8.240 nan 0.000 0.519 329 F N 0.718 120.766 119.950 0.164 0.000 2.754 329 F HA 0.390 4.916 4.527 -0.001 0.000 0.316 329 F C 1.446 177.267 175.800 0.035 0.000 0.959 329 F CA -0.624 57.395 58.000 0.033 0.000 1.148 329 F CB -0.388 38.646 39.000 0.056 0.000 0.951 329 F HN 0.444 nan 8.300 nan 0.000 0.625 330 F N 2.655 122.027 119.950 -0.964 0.000 2.095 330 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 330 F C 2.618 178.289 175.800 -0.215 0.000 1.104 330 F CA 1.908 59.523 58.000 -0.641 0.000 1.232 330 F CB -1.025 37.601 39.000 -0.623 0.000 0.987 330 F HN 0.269 nan 8.300 nan 0.000 0.475 331 Y N -0.163 120.034 120.300 -0.171 0.000 2.403 331 Y HA -0.067 4.483 4.550 -0.000 0.000 0.291 331 Y C 1.827 177.640 175.900 -0.145 0.000 1.143 331 Y CA 1.238 59.225 58.100 -0.188 0.000 1.257 331 Y CB -1.299 37.103 38.460 -0.098 0.000 0.984 331 Y HN -0.011 nan 8.280 nan 0.000 0.550 332 K N 0.722 120.640 120.400 -0.804 0.000 2.504 332 K HA 0.068 4.388 4.320 -0.001 0.000 0.195 332 K C 1.288 177.730 176.600 -0.264 0.000 1.036 332 K CA 0.755 56.693 56.287 -0.581 0.000 0.984 332 K CB -0.069 32.123 32.500 -0.512 0.000 0.788 332 K HN 0.452 nan 8.250 nan 0.000 0.488 333 L N 0.108 121.186 121.223 -0.242 0.000 2.567 333 L HA -0.017 4.323 4.340 -0.001 0.000 0.225 333 L C 1.782 178.533 176.870 -0.198 0.000 1.119 333 L CA -0.050 54.686 54.840 -0.174 0.000 0.871 333 L CB 0.117 42.089 42.059 -0.145 0.000 1.036 333 L HN -0.081 nan 8.230 nan 0.000 0.459 334 V N 0.342 120.124 119.914 -0.220 0.000 2.358 334 V HA -0.183 3.937 4.120 -0.001 0.000 0.246 334 V C 2.613 178.610 176.094 -0.162 0.000 1.047 334 V CA 2.084 64.260 62.300 -0.208 0.000 1.035 334 V CB -1.116 30.598 31.823 -0.182 0.000 0.658 334 V HN 0.559 nan 8.190 nan 0.000 0.452 335 G N 0.718 109.444 108.800 -0.124 0.000 2.480 335 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 335 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 335 G C -0.151 174.695 174.900 -0.091 0.000 1.200 335 G CA 1.208 46.251 45.100 -0.096 0.000 0.782 335 G HN 0.503 nan 8.290 nan 0.000 0.554 336 P HA -0.112 nan 4.420 nan 0.000 0.216 336 P C 2.014 179.264 177.300 -0.084 0.000 1.150 336 P CA 0.710 63.767 63.100 -0.072 0.000 0.843 336 P CB -0.109 31.555 31.700 -0.060 0.000 0.787 337 L N -0.753 120.404 121.223 -0.110 0.000 2.017 337 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 337 L C 2.203 179.008 176.870 -0.109 0.000 1.073 337 L CA 1.707 56.474 54.840 -0.121 0.000 0.745 337 L CB -1.253 40.711 42.059 -0.159 0.000 0.894 337 L HN -0.132 nan 8.230 nan 0.000 0.432 338 I N -0.091 120.402 120.570 -0.128 0.000 2.264 338 I HA -0.306 3.863 4.170 -0.001 0.000 0.248 338 I C 1.798 177.875 176.117 -0.067 0.000 1.111 338 I CA 1.406 62.641 61.300 -0.108 0.000 1.382 338 I CB -0.535 37.394 38.000 -0.118 0.000 1.060 338 I HN 0.302 nan 8.210 nan 0.000 0.418 339 D N 0.030 120.391 120.400 -0.066 0.000 2.264 339 D HA -0.100 4.540 4.640 -0.001 0.000 0.208 339 D C 2.037 178.309 176.300 -0.047 0.000 0.966 339 D CA 1.295 55.266 54.000 -0.050 0.000 0.864 339 D CB 0.049 40.821 40.800 -0.047 0.000 0.933 339 D HN 0.397 nan 8.370 nan 0.000 0.499 340 V N -2.957 116.921 119.914 -0.059 0.000 3.660 340 V HA 0.150 4.270 4.120 -0.001 0.000 0.276 340 V C 1.625 177.681 176.094 -0.062 0.000 1.317 340 V CA 0.098 62.356 62.300 -0.069 0.000 1.097 340 V CB 0.191 31.952 31.823 -0.104 0.000 0.863 340 V HN -0.079 nan 8.190 nan 0.000 0.438 341 M N 1.110 120.691 119.600 -0.031 0.000 2.541 341 M HA 0.372 4.852 4.480 -0.001 0.000 0.252 341 M C 1.632 177.945 176.300 0.023 0.000 1.125 341 M CA 0.937 56.246 55.300 0.015 0.000 1.091 341 M CB -0.764 31.907 32.600 0.117 0.000 1.420 341 M HN 0.671 nan 8.290 nan 0.000 0.486 342 G N 1.380 110.183 108.800 0.005 0.000 2.596 342 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.295 342 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.295 342 G C 0.875 175.789 174.900 0.023 0.000 1.240 342 G CA 1.291 46.395 45.100 0.007 0.000 0.985 342 G HN 0.488 nan 8.290 nan 0.000 0.555 343 S N 0.016 115.731 115.700 0.025 0.000 2.474 343 S HA 0.254 4.724 4.470 -0.001 0.000 0.235 343 S C 2.459 177.093 174.600 0.057 0.000 0.997 343 S CA 1.658 59.878 58.200 0.033 0.000 0.949 343 S CB -0.280 62.936 63.200 0.027 0.000 0.766 343 S HN 2.032 nan 8.310 nan 0.000 0.517 344 A N 1.188 124.049 122.820 0.070 0.000 2.168 344 A HA 0.413 4.732 4.320 -0.001 0.000 0.215 344 A C 1.952 179.682 177.584 0.243 0.000 1.152 344 A CA 0.812 52.914 52.037 0.109 0.000 0.716 344 A CB -0.881 18.157 19.000 0.063 0.000 0.794 344 A HN 0.636 nan 8.150 nan 0.000 0.465 345 G N -1.075 107.844 108.800 0.198 0.000 3.337 345 G HA2 0.203 4.162 3.960 -0.001 0.000 0.246 345 G HA3 0.203 4.162 3.960 -0.001 0.000 0.246 345 G C 0.872 175.793 174.900 0.035 0.000 1.131 345 G CA 0.322 45.532 45.100 0.183 0.000 0.773 345 G HN 0.575 nan 8.290 nan 0.000 0.544 346 E N 0.917 121.151 120.200 0.057 0.000 2.086 346 E HA -0.178 4.172 4.350 -0.001 0.000 0.200 346 E C 1.542 178.136 176.600 -0.010 0.000 1.012 346 E CA 1.427 57.837 56.400 0.017 0.000 0.812 346 E CB 0.073 29.791 29.700 0.030 0.000 0.743 346 E HN 0.255 nan 8.360 nan 0.000 0.453 347 D N 0.267 120.676 120.400 0.015 0.000 2.178 347 D HA -0.120 4.520 4.640 -0.001 0.000 0.202 347 D C 1.958 178.197 176.300 -0.102 0.000 0.974 347 D CA 0.534 54.527 54.000 -0.012 0.000 0.841 347 D CB -0.059 40.769 40.800 0.047 0.000 0.953 347 D HN 0.086 nan 8.370 nan 0.000 0.478 348 L N 1.282 122.374 121.223 -0.218 0.000 2.072 348 L HA -0.058 4.282 4.340 -0.001 0.000 0.205 348 L C 2.101 178.835 176.870 -0.227 0.000 1.079 348 L CA 1.658 56.281 54.840 -0.361 0.000 0.752 348 L CB -0.418 41.194 42.059 -0.746 0.000 0.906 348 L HN -0.198 nan 8.230 nan 0.000 0.436 349 K N -0.380 119.921 120.400 -0.165 0.000 2.057 349 K HA -0.260 4.060 4.320 -0.001 0.000 0.207 349 K C 2.421 178.971 176.600 -0.084 0.000 1.049 349 K CA 1.622 57.842 56.287 -0.112 0.000 0.931 349 K CB -0.236 32.218 32.500 -0.077 0.000 0.714 349 K HN 0.285 nan 8.250 nan 0.000 0.440 350 R N 0.509 120.966 120.500 -0.071 0.000 2.127 350 R HA -0.146 4.194 4.340 -0.001 0.000 0.238 350 R C 0.907 177.173 176.300 -0.057 0.000 1.134 350 R CA 1.860 57.929 56.100 -0.052 0.000 0.975 350 R CB 0.085 30.362 30.300 -0.038 0.000 0.865 350 R HN 0.333 nan 8.270 nan 0.000 0.447 351 Q N -0.576 119.177 119.800 -0.078 0.000 2.165 351 Q HA 0.030 4.370 4.340 -0.001 0.000 0.245 351 Q C 0.810 176.757 176.000 -0.089 0.000 0.841 351 Q CA -0.279 55.479 55.803 -0.075 0.000 1.078 351 Q CB 1.154 29.848 28.738 -0.074 0.000 1.169 351 Q HN 0.370 nan 8.270 nan 0.000 0.475 352 Q N 1.071 120.816 119.800 -0.092 0.000 2.045 352 Q HA -0.269 4.071 4.340 -0.001 0.000 0.206 352 Q C 1.850 177.808 176.000 -0.069 0.000 0.991 352 Q CA 2.149 57.895 55.803 -0.095 0.000 0.851 352 Q CB -0.037 28.652 28.738 -0.082 0.000 0.911 352 Q HN 0.504 nan 8.270 nan 0.000 0.418 353 A N 0.428 123.217 122.820 -0.051 0.000 1.877 353 A HA -0.278 4.041 4.320 -0.001 0.000 0.216 353 A C 2.012 179.569 177.584 -0.045 0.000 1.186 353 A CA 1.764 53.778 52.037 -0.038 0.000 0.620 353 A CB -0.831 18.150 19.000 -0.032 0.000 0.822 353 A HN 0.639 nan 8.150 nan 0.000 0.443 354 Q N -0.396 119.376 119.800 -0.048 0.000 2.061 354 Q HA -0.145 4.195 4.340 -0.001 0.000 0.204 354 Q C 2.025 177.994 176.000 -0.052 0.000 0.984 354 Q CA 2.073 57.849 55.803 -0.045 0.000 0.846 354 Q CB -0.218 28.495 28.738 -0.040 0.000 0.902 354 Q HN 0.442 nan 8.270 nan 0.000 0.421 355 V N 0.960 120.833 119.914 -0.068 0.000 2.343 355 V HA -0.255 3.864 4.120 -0.001 0.000 0.247 355 V C 1.955 178.011 176.094 -0.064 0.000 1.051 355 V CA 2.127 64.378 62.300 -0.081 0.000 1.036 355 V CB -0.574 31.171 31.823 -0.131 0.000 0.654 355 V HN 0.398 nan 8.190 nan 0.000 0.451 356 E N -0.254 119.918 120.200 -0.047 0.000 2.058 356 E HA -0.313 4.036 4.350 -0.001 0.000 0.194 356 E C 2.292 178.857 176.600 -0.059 0.000 0.997 356 E CA 1.557 57.962 56.400 0.008 0.000 0.801 356 E CB -0.175 29.565 29.700 0.067 0.000 0.746 356 E HN 0.479 nan 8.360 nan 0.000 0.450 357 Q N 0.691 120.440 119.800 -0.086 0.000 2.084 357 Q HA -0.122 4.218 4.340 -0.001 0.000 0.202 357 Q C 2.071 178.022 176.000 -0.083 0.000 0.978 357 Q CA 1.203 56.936 55.803 -0.117 0.000 0.844 357 Q CB -0.193 28.494 28.738 -0.086 0.000 0.898 357 Q HN 0.126 nan 8.270 nan 0.000 0.426 358 V N 0.360 120.246 119.914 -0.048 0.000 2.295 358 V HA -0.262 3.858 4.120 -0.001 0.000 0.246 358 V C 2.305 178.399 176.094 -0.000 0.000 1.049 358 V CA 1.795 64.082 62.300 -0.021 0.000 1.024 358 V CB -0.591 31.225 31.823 -0.011 0.000 0.648 358 V HN 0.364 nan 8.190 nan 0.000 0.447 359 L N -0.366 120.863 121.223 0.009 0.000 2.093 359 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 359 L C 2.567 179.484 176.870 0.078 0.000 1.085 359 L CA 1.762 56.647 54.840 0.075 0.000 0.755 359 L CB -0.560 41.535 42.059 0.060 0.000 0.904 359 L HN 0.317 nan 8.230 nan 0.000 0.435 360 K N -0.217 120.163 120.400 -0.033 0.000 2.025 360 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 360 K C 2.049 178.608 176.600 -0.069 0.000 1.049 360 K CA 1.865 58.060 56.287 -0.154 0.000 0.933 360 K CB -0.051 32.111 32.500 -0.563 0.000 0.714 360 K HN 0.147 nan 8.250 nan 0.000 0.438 361 T N 0.831 115.347 114.554 -0.062 0.000 2.684 361 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 361 T C 1.627 176.341 174.700 0.023 0.000 1.036 361 T CA 1.822 63.908 62.100 -0.022 0.000 1.148 361 T CB -0.274 68.581 68.868 -0.022 0.000 0.863 361 T HN 0.364 nan 8.240 nan 0.000 0.436 362 E N 1.219 121.442 120.200 0.039 0.000 2.077 362 E HA -0.144 4.206 4.350 -0.001 0.000 0.193 362 E C 2.115 178.778 176.600 0.104 0.000 0.989 362 E CA 1.499 57.938 56.400 0.065 0.000 0.800 362 E CB -0.188 29.547 29.700 0.059 0.000 0.746 362 E HN 0.636 nan 8.360 nan 0.000 0.452 363 E N 0.035 120.297 120.200 0.103 0.000 2.072 363 E HA -0.217 4.133 4.350 -0.001 0.000 0.191 363 E C 1.875 178.552 176.600 0.127 0.000 0.985 363 E CA 1.235 57.710 56.400 0.125 0.000 0.801 363 E CB -0.057 29.692 29.700 0.081 0.000 0.750 363 E HN 0.363 nan 8.360 nan 0.000 0.452 364 E N 0.102 120.352 120.200 0.084 0.000 2.077 364 E HA -0.268 4.082 4.350 -0.001 0.000 0.193 364 E C 2.127 178.777 176.600 0.083 0.000 0.989 364 E CA 1.319 57.759 56.400 0.067 0.000 0.800 364 E CB -0.066 29.652 29.700 0.031 0.000 0.746 364 E HN 0.164 nan 8.360 nan 0.000 0.452 365 Q N 0.272 120.131 119.800 0.099 0.000 2.084 365 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 365 Q C 1.768 177.888 176.000 0.201 0.000 0.978 365 Q CA 1.406 57.280 55.803 0.118 0.000 0.844 365 Q CB -0.346 28.453 28.738 0.102 0.000 0.898 365 Q HN 0.281 nan 8.270 nan 0.000 0.426 366 F N 0.224 120.199 119.950 0.042 0.000 2.259 366 F HA 0.184 4.711 4.527 -0.001 0.000 0.298 366 F C 1.848 177.696 175.800 0.080 0.000 1.088 366 F CA 0.848 58.882 58.000 0.058 0.000 1.358 366 F CB -0.772 38.241 39.000 0.022 0.000 1.040 366 F HN 0.157 nan 8.300 nan 0.000 0.505 367 A N 0.486 123.312 122.820 0.009 0.000 2.125 367 A HA -0.164 4.156 4.320 -0.001 0.000 0.219 367 A C 2.277 179.836 177.584 -0.041 0.000 1.156 367 A CA 1.167 53.158 52.037 -0.078 0.000 0.671 367 A CB -0.717 18.287 19.000 0.006 0.000 0.794 367 A HN 0.440 nan 8.150 nan 0.000 0.459 368 R N -0.675 119.835 120.500 0.018 0.000 2.193 368 R HA -0.083 4.256 4.340 -0.001 0.000 0.229 368 R C 1.636 177.962 176.300 0.044 0.000 1.110 368 R CA 1.714 57.835 56.100 0.035 0.000 0.988 368 R CB -0.234 30.098 30.300 0.053 0.000 0.871 368 R HN 0.726 nan 8.270 nan 0.000 0.458 369 T N -3.424 111.160 114.554 0.048 0.000 3.009 369 T HA 0.106 4.456 4.350 -0.001 0.000 0.267 369 T C 1.398 176.168 174.700 0.116 0.000 0.942 369 T CA -0.412 61.781 62.100 0.155 0.000 0.883 369 T CB 0.062 69.101 68.868 0.285 0.000 1.192 369 T HN 0.000 nan 8.240 nan 0.000 0.524 370 L N 2.303 123.402 121.223 -0.206 0.000 1.955 370 L HA 0.048 4.388 4.340 -0.001 0.000 0.213 370 L C 2.340 179.196 176.870 -0.025 0.000 1.072 370 L CA 2.090 56.734 54.840 -0.327 0.000 0.755 370 L CB -0.815 40.791 42.059 -0.755 0.000 0.888 370 L HN 0.271 nan 8.230 nan 0.000 0.432 371 E N -0.852 119.314 120.200 -0.057 0.000 2.110 371 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 371 E C 2.245 178.830 176.600 -0.025 0.000 0.988 371 E CA 1.220 57.605 56.400 -0.025 0.000 0.804 371 E CB -0.104 29.582 29.700 -0.023 0.000 0.745 371 E HN 0.496 nan 8.360 nan 0.000 0.458 372 R N -0.045 120.453 120.500 -0.003 0.000 2.081 372 R HA -0.092 4.248 4.340 -0.001 0.000 0.235 372 R C 2.514 178.651 176.300 -0.272 0.000 1.131 372 R CA 1.181 57.275 56.100 -0.009 0.000 0.960 372 R CB -0.480 29.919 30.300 0.166 0.000 0.856 372 R HN 0.181 nan 8.270 nan 0.000 0.436 373 G N 1.246 109.788 108.800 -0.430 0.000 2.418 373 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.217 373 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.217 373 G C 1.477 176.050 174.900 -0.544 0.000 1.158 373 G CA 0.351 44.794 45.100 -1.096 0.000 0.771 373 G HN 0.110 nan 8.290 nan 0.000 0.545 374 L N 0.609 121.780 121.223 -0.086 0.000 2.083 374 L HA -0.050 4.289 4.340 -0.001 0.000 0.209 374 L C 3.407 180.229 176.870 -0.079 0.000 1.083 374 L CA 0.940 55.785 54.840 0.009 0.000 0.752 374 L CB -0.395 41.697 42.059 0.057 0.000 0.899 374 L HN 0.311 nan 8.230 nan 0.000 0.433 375 A N 0.103 122.857 122.820 -0.109 0.000 1.902 375 A HA -0.234 4.086 4.320 -0.001 0.000 0.217 375 A C 2.209 179.721 177.584 -0.120 0.000 1.181 375 A CA 1.735 53.717 52.037 -0.091 0.000 0.623 375 A CB -0.681 18.278 19.000 -0.069 0.000 0.818 375 A HN 0.328 nan 8.150 nan 0.000 0.443 376 L N -0.721 120.372 121.223 -0.218 0.000 2.017 376 L HA -0.115 4.225 4.340 -0.001 0.000 0.208 376 L C 2.246 179.020 176.870 -0.159 0.000 1.073 376 L CA 2.122 56.835 54.840 -0.213 0.000 0.745 376 L CB -0.623 41.211 42.059 -0.376 0.000 0.894 376 L HN 0.352 nan 8.230 nan 0.000 0.432 377 L N -0.373 120.741 121.223 -0.182 0.000 2.046 377 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 377 L C 2.059 178.902 176.870 -0.044 0.000 1.077 377 L CA 1.918 56.705 54.840 -0.089 0.000 0.747 377 L CB -1.047 40.989 42.059 -0.040 0.000 0.896 377 L HN 0.319 nan 8.230 nan 0.000 0.432 378 D N -0.194 120.179 120.400 -0.045 0.000 2.104 378 D HA -0.204 4.436 4.640 -0.001 0.000 0.194 378 D C 2.088 178.372 176.300 -0.026 0.000 0.994 378 D CA 1.590 55.573 54.000 -0.028 0.000 0.830 378 D CB -0.065 40.718 40.800 -0.028 0.000 0.959 378 D HN 0.520 nan 8.370 nan 0.000 0.452 379 E N 0.428 120.607 120.200 -0.035 0.000 2.070 379 E HA -0.184 4.166 4.350 -0.001 0.000 0.197 379 E C 2.013 178.603 176.600 -0.016 0.000 1.004 379 E CA 0.868 57.253 56.400 -0.025 0.000 0.805 379 E CB 0.060 29.743 29.700 -0.028 0.000 0.744 379 E HN 0.258 nan 8.360 nan 0.000 0.451 380 E N 0.433 120.622 120.200 -0.019 0.000 2.106 380 E HA -0.123 4.227 4.350 -0.001 0.000 0.192 380 E C 2.244 178.844 176.600 0.001 0.000 0.984 380 E CA 0.658 57.055 56.400 -0.006 0.000 0.806 380 E CB -0.070 29.628 29.700 -0.004 0.000 0.750 380 E HN 0.324 nan 8.360 nan 0.000 0.458 381 L N 0.297 121.519 121.223 -0.002 0.000 2.156 381 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 381 L C 2.467 179.337 176.870 0.001 0.000 1.095 381 L CA 0.818 55.660 54.840 0.002 0.000 0.770 381 L CB -0.413 41.647 42.059 0.002 0.000 0.914 381 L HN 0.031 nan 8.230 nan 0.000 0.439 382 A N 1.110 123.928 122.820 -0.003 0.000 1.972 382 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 382 A C 2.140 179.723 177.584 -0.000 0.000 1.169 382 A CA 1.884 53.919 52.037 -0.003 0.000 0.635 382 A CB -0.313 18.683 19.000 -0.006 0.000 0.810 382 A HN 0.555 nan 8.150 nan 0.000 0.446 383 K N -1.125 119.276 120.400 0.001 0.000 2.358 383 K HA 0.349 4.668 4.320 -0.001 0.000 0.200 383 K C 0.087 176.691 176.600 0.006 0.000 1.030 383 K CA -0.498 55.792 56.287 0.004 0.000 1.097 383 K CB -0.221 32.281 32.500 0.004 0.000 0.862 383 K HN 0.231 nan 8.250 nan 0.000 0.534 384 L N 2.367 123.594 121.223 0.007 0.000 2.453 384 L HA 0.138 4.478 4.340 -0.001 0.000 0.272 384 L C -0.461 176.415 176.870 0.009 0.000 1.182 384 L CA 0.406 55.252 54.840 0.010 0.000 0.858 384 L CB 1.442 43.508 42.059 0.012 0.000 1.120 384 L HN 0.208 nan 8.230 nan 0.000 0.474 385 S N 4.370 120.075 115.700 0.010 0.000 2.438 385 S HA 0.838 5.307 4.470 -0.001 0.000 0.316 385 S C -0.108 174.497 174.600 0.009 0.000 1.084 385 S CA 0.326 58.532 58.200 0.008 0.000 1.107 385 S CB -0.112 63.093 63.200 0.008 0.000 0.981 385 S HN 1.543 nan 8.310 nan 0.000 0.466 386 G N 4.129 112.934 108.800 0.008 0.000 2.483 386 G HA2 -0.086 3.874 3.960 -0.001 0.000 0.521 386 G HA3 -0.086 3.874 3.960 -0.001 0.000 0.521 386 G C -0.461 174.444 174.900 0.008 0.000 1.278 386 G CA 0.041 45.145 45.100 0.008 0.000 0.965 386 G HN 0.800 nan 8.290 nan 0.000 0.504 387 D N -1.011 119.394 120.400 0.008 0.000 2.402 387 D HA 0.338 4.977 4.640 -0.001 0.000 0.216 387 D C 0.578 176.885 176.300 0.010 0.000 1.128 387 D CA 0.595 54.600 54.000 0.008 0.000 0.833 387 D CB 0.379 41.182 40.800 0.005 0.000 0.971 387 D HN 0.531 nan 8.370 nan 0.000 0.503 388 T N 1.000 115.563 114.554 0.014 0.000 2.937 388 T HA 0.336 4.686 4.350 -0.001 0.000 0.297 388 T C -0.590 174.125 174.700 0.026 0.000 0.991 388 T CA -0.702 61.410 62.100 0.019 0.000 0.990 388 T CB 1.950 70.830 68.868 0.019 0.000 0.991 388 T HN 0.038 nan 8.240 nan 0.000 0.440 389 L N 5.186 126.427 121.223 0.031 0.000 2.410 389 L HA 0.283 4.623 4.340 -0.001 0.000 0.273 389 L C 0.502 177.405 176.870 0.056 0.000 1.152 389 L CA -0.193 54.672 54.840 0.041 0.000 0.855 389 L CB 0.334 42.419 42.059 0.043 0.000 1.129 389 L HN 0.650 nan 8.230 nan 0.000 0.463 390 D N 3.097 123.534 120.400 0.061 0.000 2.382 390 D HA 0.005 4.645 4.640 -0.001 0.000 0.240 390 D C 0.948 177.316 176.300 0.113 0.000 1.146 390 D CA 0.241 54.285 54.000 0.073 0.000 0.897 390 D CB 1.122 41.959 40.800 0.063 0.000 1.197 390 D HN 0.688 nan 8.370 nan 0.000 0.432 391 G N 0.890 109.764 108.800 0.125 0.000 2.432 391 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.219 391 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.219 391 G C 1.244 176.286 174.900 0.236 0.000 1.135 391 G CA 0.697 45.915 45.100 0.196 0.000 0.767 391 G HN 0.744 nan 8.290 nan 0.000 0.550 392 E N -0.086 120.211 120.200 0.162 0.000 2.110 392 E HA -0.121 4.229 4.350 -0.001 0.000 0.193 392 E C 2.438 179.185 176.600 0.245 0.000 0.988 392 E CA 1.437 57.949 56.400 0.186 0.000 0.804 392 E CB -0.050 29.718 29.700 0.113 0.000 0.745 392 E HN 0.373 nan 8.360 nan 0.000 0.458 393 T N 0.456 115.120 114.554 0.185 0.000 2.812 393 T HA -0.058 4.292 4.350 -0.001 0.000 0.264 393 T C 1.861 176.681 174.700 0.199 0.000 1.042 393 T CA 1.100 63.293 62.100 0.156 0.000 1.140 393 T CB -0.260 68.664 68.868 0.094 0.000 0.870 393 T HN 0.318 nan 8.240 nan 0.000 0.445 394 A N 1.193 124.160 122.820 0.245 0.000 1.908 394 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 394 A C 2.018 179.909 177.584 0.513 0.000 1.181 394 A CA 1.545 53.758 52.037 0.292 0.000 0.627 394 A CB -1.021 18.126 19.000 0.244 0.000 0.818 394 A HN 0.492 nan 8.150 nan 0.000 0.445 395 F N 0.345 120.581 119.950 0.476 0.000 2.186 395 F HA -0.101 4.425 4.527 -0.001 0.000 0.299 395 F C 2.319 178.336 175.800 0.363 0.000 1.090 395 F CA 1.833 60.090 58.000 0.429 0.000 1.307 395 F CB -0.231 38.836 39.000 0.112 0.000 1.019 395 F HN 0.212 nan 8.300 nan 0.000 0.489 396 R N 0.315 120.963 120.500 0.247 0.000 2.081 396 R HA -0.138 4.202 4.340 -0.001 0.000 0.235 396 R C 2.251 178.633 176.300 0.136 0.000 1.131 396 R CA 1.777 57.951 56.100 0.122 0.000 0.960 396 R CB -0.498 29.907 30.300 0.174 0.000 0.856 396 R HN 0.408 nan 8.270 nan 0.000 0.436 397 L N -0.332 120.983 121.223 0.153 0.000 2.083 397 L HA -0.212 4.128 4.340 -0.001 0.000 0.209 397 L C 2.333 179.326 176.870 0.205 0.000 1.083 397 L CA 1.380 56.257 54.840 0.062 0.000 0.752 397 L CB -0.550 41.458 42.059 -0.084 0.000 0.899 397 L HN 0.302 nan 8.230 nan 0.000 0.433 398 Y N 0.747 121.127 120.300 0.132 0.000 2.153 398 Y HA -0.289 4.261 4.550 -0.001 0.000 0.289 398 Y C 2.316 178.200 175.900 -0.026 0.000 1.127 398 Y CA 2.080 60.270 58.100 0.151 0.000 1.131 398 Y CB -0.222 38.410 38.460 0.286 0.000 0.995 398 Y HN 0.203 nan 8.280 nan 0.000 0.505 399 D N -1.220 119.008 120.400 -0.286 0.000 2.123 399 D HA -0.126 4.513 4.640 -0.001 0.000 0.200 399 D C 1.849 177.976 176.300 -0.289 0.000 0.976 399 D CA 2.026 55.758 54.000 -0.447 0.000 0.831 399 D CB -0.065 40.358 40.800 -0.628 0.000 0.974 399 D HN 0.393 nan 8.370 nan 0.000 0.469 400 T N -1.597 112.821 114.554 -0.226 0.000 2.939 400 T HA 0.005 4.355 4.350 -0.001 0.000 0.254 400 T C 0.861 175.295 174.700 -0.444 0.000 1.041 400 T CA 0.677 62.559 62.100 -0.364 0.000 1.142 400 T CB -0.144 68.425 68.868 -0.498 0.000 0.874 400 T HN 0.220 nan 8.240 nan 0.000 0.452 401 Y N 0.279 120.527 120.300 -0.087 0.000 2.444 401 Y HA 0.434 4.984 4.550 -0.001 0.000 0.249 401 Y C 1.740 177.800 175.900 0.267 0.000 1.134 401 Y CA -0.326 57.771 58.100 -0.005 0.000 1.261 401 Y CB 0.353 38.636 38.460 -0.295 0.000 1.143 401 Y HN 0.270 nan 8.280 nan 0.000 0.523 402 G N 0.501 109.460 108.800 0.265 0.000 2.198 402 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.257 402 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.257 402 G C -0.429 174.752 174.900 0.468 0.000 1.042 402 G CA -0.341 44.904 45.100 0.243 0.000 0.791 402 G HN 0.140 nan 8.290 nan 0.000 0.502 403 F N 1.172 121.260 119.950 0.231 0.000 2.413 403 F HA 0.414 4.941 4.527 -0.000 0.000 0.359 403 F C -1.406 174.543 175.800 0.250 0.000 1.122 403 F CA -2.998 55.139 58.000 0.229 0.000 1.160 403 F CB 0.971 40.108 39.000 0.228 0.000 1.146 403 F HN -0.082 nan 8.300 nan 0.000 0.514 404 P HA -0.046 nan 4.420 nan 0.000 0.267 404 P C 1.083 178.459 177.300 0.127 0.000 1.200 404 P CA 0.124 63.397 63.100 0.289 0.000 0.772 404 P CB 1.016 32.737 31.700 0.036 0.000 0.855 405 V N 2.642 122.520 119.914 -0.060 0.000 2.490 405 V HA -0.222 3.898 4.120 -0.001 0.000 0.250 405 V C 1.621 177.611 176.094 -0.175 0.000 1.061 405 V CA 2.539 64.623 62.300 -0.360 0.000 1.064 405 V CB -0.987 30.174 31.823 -1.105 0.000 0.670 405 V HN 0.669 nan 8.190 nan 0.000 0.461 406 D N -0.591 119.747 120.400 -0.104 0.000 2.224 406 D HA -0.197 4.443 4.640 -0.001 0.000 0.205 406 D C 2.122 178.407 176.300 -0.025 0.000 0.965 406 D CA 1.359 55.325 54.000 -0.057 0.000 0.852 406 D CB -0.278 40.496 40.800 -0.042 0.000 0.947 406 D HN 0.541 nan 8.370 nan 0.000 0.494 407 L N 0.837 122.041 121.223 -0.032 0.000 2.056 407 L HA -0.121 4.218 4.340 -0.001 0.000 0.207 407 L C 2.310 179.182 176.870 0.004 0.000 1.078 407 L CA 1.415 56.231 54.840 -0.040 0.000 0.749 407 L CB -0.462 41.518 42.059 -0.131 0.000 0.901 407 L HN -0.074 nan 8.230 nan 0.000 0.433 408 T N 0.095 114.691 114.554 0.070 0.000 2.746 408 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 408 T C 1.890 176.621 174.700 0.052 0.000 1.039 408 T CA 1.297 63.473 62.100 0.126 0.000 1.142 408 T CB -0.369 68.591 68.868 0.153 0.000 0.866 408 T HN 0.556 nan 8.240 nan 0.000 0.444 409 A N 1.467 124.292 122.820 0.009 0.000 1.933 409 A HA -0.154 4.165 4.320 -0.001 0.000 0.218 409 A C 2.096 179.694 177.584 0.024 0.000 1.175 409 A CA 2.049 54.087 52.037 0.002 0.000 0.628 409 A CB -0.795 18.191 19.000 -0.025 0.000 0.814 409 A HN 0.496 nan 8.150 nan 0.000 0.444 410 D N -0.386 120.036 120.400 0.035 0.000 2.097 410 D HA -0.128 4.512 4.640 -0.001 0.000 0.195 410 D C 1.832 178.159 176.300 0.046 0.000 0.989 410 D CA 1.644 55.686 54.000 0.070 0.000 0.827 410 D CB -0.123 40.733 40.800 0.093 0.000 0.966 410 D HN 0.156 nan 8.370 nan 0.000 0.456 411 V N -0.105 119.815 119.914 0.011 0.000 2.295 411 V HA -0.287 3.833 4.120 -0.001 0.000 0.246 411 V C 2.796 178.901 176.094 0.017 0.000 1.049 411 V CA 1.644 63.941 62.300 -0.006 0.000 1.024 411 V CB -0.597 31.234 31.823 0.013 0.000 0.648 411 V HN 0.430 nan 8.190 nan 0.000 0.447 412 C N -0.543 118.774 119.300 0.029 0.000 2.440 412 C HA -0.114 4.346 4.460 -0.001 0.000 0.278 412 C C 2.910 177.917 174.990 0.029 0.000 1.295 412 C CA 1.095 60.129 59.018 0.027 0.000 1.738 412 C CB -1.173 26.582 27.740 0.026 0.000 1.987 412 C HN 0.536 nan 8.230 nan 0.000 0.492 413 R N 1.194 121.718 120.500 0.040 0.000 2.105 413 R HA -0.152 4.187 4.340 -0.001 0.000 0.239 413 R C 1.953 178.301 176.300 0.079 0.000 1.135 413 R CA 1.509 57.641 56.100 0.054 0.000 0.967 413 R CB -0.233 30.108 30.300 0.067 0.000 0.861 413 R HN 0.613 nan 8.270 nan 0.000 0.442 414 E N -0.373 119.874 120.200 0.078 0.000 2.333 414 E HA -0.156 4.194 4.350 -0.001 0.000 0.198 414 E C 1.020 177.639 176.600 0.031 0.000 1.007 414 E CA 0.798 57.234 56.400 0.060 0.000 0.845 414 E CB 0.159 29.875 29.700 0.025 0.000 0.766 414 E HN 0.321 nan 8.360 nan 0.000 0.507 415 R N 0.514 121.028 120.500 0.024 0.000 2.586 415 R HA 0.156 4.496 4.340 -0.001 0.000 0.336 415 R C -0.235 176.073 176.300 0.013 0.000 1.060 415 R CA -0.187 55.920 56.100 0.013 0.000 1.079 415 R CB 0.325 30.629 30.300 0.007 0.000 1.317 415 R HN -0.001 nan 8.270 nan 0.000 0.568 416 N N 1.132 119.844 118.700 0.020 0.000 2.735 416 N HA -0.171 4.568 4.740 -0.001 0.000 0.248 416 N C -0.903 174.613 175.510 0.009 0.000 1.083 416 N CA 1.036 54.094 53.050 0.013 0.000 0.703 416 N CB -0.606 37.886 38.487 0.008 0.000 1.005 416 N HN 0.247 nan 8.380 nan 0.000 0.550 417 I N 0.438 121.015 120.570 0.012 0.000 2.509 417 I HA 0.270 4.440 4.170 -0.001 0.000 0.293 417 I C 0.853 176.976 176.117 0.010 0.000 1.020 417 I CA -0.514 60.793 61.300 0.011 0.000 1.088 417 I CB 1.903 39.911 38.000 0.013 0.000 1.267 417 I HN -0.120 nan 8.210 nan 0.000 0.430 418 K N 3.641 124.045 120.400 0.007 0.000 2.148 418 K HA 0.713 5.032 4.320 -0.001 0.000 0.239 418 K C -0.826 175.781 176.600 0.012 0.000 1.018 418 K CA -0.737 55.553 56.287 0.005 0.000 0.923 418 K CB 1.518 34.019 32.500 0.002 0.000 1.117 418 K HN 0.247 nan 8.250 nan 0.000 0.477 419 V N 1.165 121.084 119.914 0.009 0.000 2.540 419 V HA 0.046 4.166 4.120 -0.001 0.000 0.302 419 V C -0.801 175.309 176.094 0.027 0.000 1.035 419 V CA -0.802 61.508 62.300 0.017 0.000 0.873 419 V CB 1.674 33.494 31.823 -0.005 0.000 0.992 419 V HN 0.707 nan 8.190 nan 0.000 0.428 420 D N 3.657 124.087 120.400 0.050 0.000 2.398 420 D HA 0.068 4.708 4.640 -0.001 0.000 0.250 420 D C 1.231 177.588 176.300 0.095 0.000 1.287 420 D CA 0.117 54.154 54.000 0.061 0.000 0.992 420 D CB 0.780 41.619 40.800 0.064 0.000 1.071 420 D HN 0.495 nan 8.370 nan 0.000 0.514 421 E N 2.498 122.744 120.200 0.075 0.000 2.110 421 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 421 E C 1.789 178.478 176.600 0.149 0.000 0.988 421 E CA 0.999 57.465 56.400 0.110 0.000 0.804 421 E CB -0.192 29.544 29.700 0.061 0.000 0.745 421 E HN 0.614 nan 8.360 nan 0.000 0.458 422 A N 1.185 124.058 122.820 0.088 0.000 1.902 422 A HA -0.087 4.232 4.320 -0.001 0.000 0.217 422 A C 2.499 180.116 177.584 0.055 0.000 1.181 422 A CA 1.933 54.007 52.037 0.061 0.000 0.623 422 A CB -1.054 17.966 19.000 0.034 0.000 0.818 422 A HN 0.339 nan 8.150 nan 0.000 0.443 423 G N -1.331 107.512 108.800 0.073 0.000 2.418 423 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.217 423 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.217 423 G C 1.487 176.429 174.900 0.071 0.000 1.158 423 G CA 1.076 46.210 45.100 0.057 0.000 0.771 423 G HN 0.522 nan 8.290 nan 0.000 0.545 424 F N 1.590 121.546 119.950 0.010 0.000 2.095 424 F HA -0.076 4.450 4.527 -0.000 0.000 0.298 424 F C 2.692 178.475 175.800 -0.028 0.000 1.104 424 F CA 1.908 59.926 58.000 0.030 0.000 1.232 424 F CB 0.144 39.176 39.000 0.053 0.000 0.987 424 F HN 0.067 nan 8.300 nan 0.000 0.475 425 E N 0.736 120.932 120.200 -0.007 0.000 2.110 425 E HA -0.189 4.161 4.350 -0.001 0.000 0.193 425 E C 2.413 178.892 176.600 -0.200 0.000 0.988 425 E CA 1.117 57.444 56.400 -0.123 0.000 0.804 425 E CB -0.871 28.839 29.700 0.017 0.000 0.745 425 E HN 0.532 nan 8.360 nan 0.000 0.458 426 A N 1.545 124.275 122.820 -0.150 0.000 1.902 426 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 426 A C 2.435 179.852 177.584 -0.278 0.000 1.181 426 A CA 2.108 54.047 52.037 -0.162 0.000 0.623 426 A CB -0.579 18.360 19.000 -0.102 0.000 0.818 426 A HN 0.271 nan 8.150 nan 0.000 0.443 427 A N -0.802 121.778 122.820 -0.400 0.000 1.902 427 A HA -0.114 4.206 4.320 -0.001 0.000 0.217 427 A C 2.199 179.193 177.584 -0.982 0.000 1.181 427 A CA 1.915 53.524 52.037 -0.713 0.000 0.623 427 A CB -0.490 18.015 19.000 -0.825 0.000 0.818 427 A HN 0.437 nan 8.150 nan 0.000 0.443 428 M N -0.782 118.326 119.600 -0.819 0.000 2.080 428 M HA -0.155 4.324 4.480 -0.001 0.000 0.260 428 M C 2.067 178.191 176.300 -0.294 0.000 1.068 428 M CA 2.056 57.053 55.300 -0.505 0.000 1.109 428 M CB -1.211 31.121 32.600 -0.446 0.000 1.342 428 M HN 0.596 nan 8.290 nan 0.000 0.405 429 E N 0.796 120.840 120.200 -0.259 0.000 2.072 429 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 429 E C 1.722 178.231 176.600 -0.152 0.000 0.985 429 E CA 1.564 57.868 56.400 -0.160 0.000 0.801 429 E CB -0.089 29.535 29.700 -0.126 0.000 0.750 429 E HN 0.522 nan 8.360 nan 0.000 0.452 430 E N 0.122 120.200 120.200 -0.203 0.000 2.085 430 E HA -0.262 4.087 4.350 -0.001 0.000 0.194 430 E C 2.111 178.629 176.600 -0.137 0.000 0.994 430 E CA 1.393 57.693 56.400 -0.167 0.000 0.801 430 E CB -0.148 29.432 29.700 -0.201 0.000 0.743 430 E HN 0.377 nan 8.360 nan 0.000 0.453 431 Q N 0.615 120.309 119.800 -0.176 0.000 2.079 431 Q HA -0.152 4.187 4.340 -0.001 0.000 0.200 431 Q C 2.139 178.127 176.000 -0.020 0.000 0.974 431 Q CA 1.040 56.807 55.803 -0.060 0.000 0.840 431 Q CB 0.126 28.887 28.738 0.039 0.000 0.898 431 Q HN 0.146 nan 8.270 nan 0.000 0.430 432 R N -0.274 120.202 120.500 -0.039 0.000 2.091 432 R HA -0.095 4.245 4.340 -0.001 0.000 0.238 432 R C 2.347 178.632 176.300 -0.025 0.000 1.136 432 R CA 1.112 57.199 56.100 -0.023 0.000 0.959 432 R CB -0.093 30.188 30.300 -0.033 0.000 0.856 432 R HN 0.163 nan 8.270 nan 0.000 0.437 433 R N 0.641 121.117 120.500 -0.039 0.000 2.081 433 R HA -0.086 4.253 4.340 -0.001 0.000 0.235 433 R C 2.179 178.468 176.300 -0.019 0.000 1.131 433 R CA 1.317 57.399 56.100 -0.030 0.000 0.960 433 R CB -0.494 29.783 30.300 -0.039 0.000 0.856 433 R HN 0.312 nan 8.270 nan 0.000 0.436 434 R N 0.266 120.755 120.500 -0.019 0.000 2.081 434 R HA -0.053 4.287 4.340 -0.001 0.000 0.235 434 R C 2.289 178.590 176.300 0.001 0.000 1.131 434 R CA 1.443 57.539 56.100 -0.007 0.000 0.960 434 R CB -0.445 29.854 30.300 -0.002 0.000 0.856 434 R HN 0.201 nan 8.270 nan 0.000 0.436 435 A N 1.396 124.218 122.820 0.003 0.000 1.902 435 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 435 A C 2.133 179.717 177.584 0.000 0.000 1.181 435 A CA 1.232 53.272 52.037 0.006 0.000 0.623 435 A CB -0.359 18.646 19.000 0.009 0.000 0.818 435 A HN 0.229 nan 8.150 nan 0.000 0.443 436 R N -0.722 119.775 120.500 -0.004 0.000 2.081 436 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 436 R C 2.333 178.636 176.300 0.006 0.000 1.131 436 R CA 1.443 57.540 56.100 -0.004 0.000 0.960 436 R CB -0.342 29.953 30.300 -0.008 0.000 0.856 436 R HN 0.783 nan 8.270 nan 0.000 0.436 437 E N 0.657 120.860 120.200 0.005 0.000 2.077 437 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 437 E C 1.867 178.475 176.600 0.014 0.000 0.989 437 E CA 1.319 57.725 56.400 0.010 0.000 0.800 437 E CB -0.004 29.699 29.700 0.005 0.000 0.746 437 E HN 0.371 nan 8.360 nan 0.000 0.452 438 A N 0.238 123.064 122.820 0.011 0.000 1.929 438 A HA -0.091 4.228 4.320 -0.001 0.000 0.216 438 A C 2.267 179.860 177.584 0.015 0.000 1.176 438 A CA 1.519 53.563 52.037 0.012 0.000 0.628 438 A CB -0.500 18.506 19.000 0.010 0.000 0.816 438 A HN 0.306 nan 8.150 nan 0.000 0.444 439 S N -1.771 113.936 115.700 0.013 0.000 2.406 439 S HA 0.316 4.786 4.470 -0.001 0.000 0.228 439 S C 1.355 175.972 174.600 0.027 0.000 1.020 439 S CA 1.724 59.931 58.200 0.012 0.000 0.965 439 S CB -0.628 62.571 63.200 -0.002 0.000 0.798 439 S HN 1.857 nan 8.310 nan 0.000 0.488 440 G N 0.612 109.434 108.800 0.037 0.000 2.512 440 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.240 440 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.240 440 G C 0.032 174.995 174.900 0.106 0.000 1.246 440 G CA -0.203 44.943 45.100 0.076 0.000 0.919 440 G HN 0.652 nan 8.290 nan 0.000 0.577 441 F N 0.000 119.948 119.950 -0.003 0.000 2.286 441 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 441 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 441 F CB 0.000 38.999 39.000 -0.002 0.000 1.145 441 F HN 0.000 nan 8.300 nan 0.000 0.574