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 3ge1_1_B DATA FIRST_RESID 0 DATA SEQUENCE AXEKYILSID QGTTSSRAIL FNQKGEIAGV AQREFKQYFP QSGWVEHDAN DATA SEQUENCE EIWTSVLAVX TEVINENDVR ADQIAGIGIT NQRETTVVWD KHTGRPIYHA DATA SEQUENCE IVWQSRQTQS ICSELKQQGY EQTFRDKTGL LLDPYFAGTK VKWILDNVEG DATA SEQUENCE AREKAENGDL LFGTIDTWLV WKLSGKAAHI TDYSNASRTL XFNIHDLEWD DATA SEQUENCE DELLELLTVP KNXLPEVKAS SEVYGKTIDY HFYGQEVPIA GVAGDQQAAL DATA SEQUENCE FGQACFERGD VKNTYGTGGF XLXNTGDKAV KSESGLLTTI AYGIDGKVNY DATA SEQUENCE ALEGSIFVSG SAIQWLRDGL RXINSAPQSE SYATRVDSTE GVYVVPAFVG DATA SEQUENCE LGTPYWDSEA RGAIFGLTRG TEKEHFIRAT LESLCYQTRD VXEAXSKDSG DATA SEQUENCE IDVQSLRVDG GAVKNNFIXQ FQADIVNTSV ERPEIQETTA LGAAFLAGLA DATA SEQUENCE VGFWESKDDI AKNWKLEEKF DPKXDEGERE KLYRGWKKAV EATQVFKT 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.595 177.584 0.019 0.000 1.274 0 A CA 0.000 52.047 52.037 0.016 0.000 0.836 0 A CB 0.000 19.002 19.000 0.004 0.000 0.831 3 K N 1.548 121.842 120.400 -0.177 0.000 2.132 3 K HA 0.629 4.928 4.320 -0.035 0.000 0.241 3 K C -1.250 175.136 176.600 -0.357 0.000 1.000 3 K CA -0.271 55.968 56.287 -0.081 0.000 0.911 3 K CB 0.525 33.109 32.500 0.140 0.000 1.093 3 K HN 0.374 nan 8.250 nan 0.000 0.460 4 Y N -0.679 119.578 120.300 -0.071 0.000 2.625 4 Y HA 0.469 4.998 4.550 -0.036 0.000 0.338 4 Y C -0.594 175.009 175.900 -0.495 0.000 1.123 4 Y CA -1.056 56.928 58.100 -0.194 0.000 1.046 4 Y CB 1.494 39.932 38.460 -0.036 0.000 1.299 4 Y HN 0.140 nan 8.280 nan 0.000 0.464 5 I N 3.147 123.556 120.570 -0.268 0.000 2.410 5 I HA 0.225 4.374 4.170 -0.035 0.000 0.286 5 I C -0.972 175.204 176.117 0.098 0.000 1.009 5 I CA -0.628 60.527 61.300 -0.242 0.000 1.111 5 I CB 1.348 39.136 38.000 -0.353 0.000 1.262 5 I HN 0.416 nan 8.210 nan 0.000 0.443 6 L N 6.440 127.711 121.223 0.079 0.000 2.331 6 L HA 0.343 4.662 4.340 -0.035 0.000 0.278 6 L C 0.194 177.165 176.870 0.167 0.000 1.106 6 L CA 0.636 55.562 54.840 0.144 0.000 0.824 6 L CB 1.244 43.393 42.059 0.150 0.000 1.142 6 L HN 0.600 nan 8.230 nan 0.000 0.443 7 S N 5.126 120.968 115.700 0.237 0.000 2.478 7 S HA 0.708 5.156 4.470 -0.035 0.000 0.312 7 S C -0.640 174.070 174.600 0.185 0.000 1.094 7 S CA -0.602 57.739 58.200 0.235 0.000 1.081 7 S CB 0.520 63.941 63.200 0.369 0.000 1.007 7 S HN 0.470 nan 8.310 nan 0.000 0.475 8 I N 4.126 124.781 120.570 0.141 0.000 2.354 8 I HA 0.384 4.532 4.170 -0.035 0.000 0.292 8 I C -0.366 175.824 176.117 0.122 0.000 0.989 8 I CA -0.259 61.113 61.300 0.120 0.000 1.188 8 I CB 1.729 39.786 38.000 0.095 0.000 1.342 8 I HN 0.509 nan 8.210 nan 0.000 0.457 9 D N 6.077 126.554 120.400 0.129 0.000 2.464 9 D HA 0.085 4.704 4.640 -0.035 0.000 0.243 9 D C -0.618 175.765 176.300 0.137 0.000 1.104 9 D CA -0.442 53.638 54.000 0.133 0.000 0.883 9 D CB 0.879 41.769 40.800 0.149 0.000 1.050 9 D HN 0.265 nan 8.370 nan 0.000 0.524 10 Q N 2.953 122.831 119.800 0.130 0.000 2.423 10 Q HA 0.384 4.703 4.340 -0.035 0.000 0.235 10 Q C -0.047 176.074 176.000 0.201 0.000 1.100 10 Q CA -0.397 55.491 55.803 0.141 0.000 0.908 10 Q CB 0.688 29.489 28.738 0.105 0.000 1.312 10 Q HN 0.611 nan 8.270 nan 0.000 0.497 11 G N 1.949 110.903 108.800 0.256 0.000 2.557 11 G HA2 0.217 4.155 3.960 -0.035 0.000 0.292 11 G HA3 0.217 4.155 3.960 -0.035 0.000 0.292 11 G C 0.692 175.837 174.900 0.408 0.000 1.237 11 G CA -0.191 45.086 45.100 0.296 0.000 0.978 11 G HN 0.559 nan 8.290 nan 0.000 0.498 12 T N -0.475 114.335 114.554 0.427 0.000 2.867 12 T HA -0.093 4.236 4.350 -0.035 0.000 0.268 12 T C 2.329 177.107 174.700 0.130 0.000 1.057 12 T CA 2.011 64.405 62.100 0.490 0.000 1.136 12 T CB -0.193 69.068 68.868 0.655 0.000 0.874 12 T HN 0.708 nan 8.240 nan 0.000 0.466 13 T N -1.280 113.268 114.554 -0.009 0.000 3.003 13 T HA 0.387 4.716 4.350 -0.035 0.000 0.261 13 T C 0.511 174.941 174.700 -0.451 0.000 1.003 13 T CA 0.079 61.958 62.100 -0.369 0.000 0.917 13 T CB 0.221 69.021 68.868 -0.113 0.000 1.084 13 T HN 0.393 nan 8.240 nan 0.000 0.522 14 S N -0.221 115.474 115.700 -0.007 0.000 2.587 14 S HA 0.689 5.138 4.470 -0.035 0.000 0.269 14 S C -1.326 173.504 174.600 0.384 0.000 1.154 14 S CA -0.750 57.581 58.200 0.217 0.000 0.824 14 S CB 1.703 64.964 63.200 0.102 0.000 1.118 14 S HN 0.109 nan 8.310 nan 0.000 0.462 15 S N 0.540 116.427 115.700 0.311 0.000 2.509 15 S HA 0.752 5.201 4.470 -0.035 0.000 0.297 15 S C -0.602 174.075 174.600 0.129 0.000 1.118 15 S CA -0.868 57.442 58.200 0.183 0.000 1.074 15 S CB 0.946 64.200 63.200 0.090 0.000 1.038 15 S HN 0.663 nan 8.310 nan 0.000 0.498 16 R N 0.863 121.432 120.500 0.114 0.000 2.673 16 R HA 0.735 5.054 4.340 -0.035 0.000 0.281 16 R C -1.298 175.057 176.300 0.092 0.000 0.991 16 R CA -0.717 55.442 56.100 0.098 0.000 0.896 16 R CB 1.994 32.362 30.300 0.113 0.000 1.201 16 R HN 0.634 nan 8.270 nan 0.000 0.457 17 A N 3.792 126.654 122.820 0.071 0.000 2.343 17 A HA 0.745 5.044 4.320 -0.035 0.000 0.316 17 A C -0.663 176.953 177.584 0.053 0.000 1.104 17 A CA -0.642 51.439 52.037 0.073 0.000 0.768 17 A CB 0.729 19.761 19.000 0.053 0.000 1.213 17 A HN 0.649 nan 8.150 nan 0.000 0.456 18 I N 2.528 123.146 120.570 0.080 0.000 2.619 18 I HA 0.340 4.489 4.170 -0.035 0.000 0.292 18 I C -0.954 175.147 176.117 -0.026 0.000 1.100 18 I CA -0.456 60.836 61.300 -0.013 0.000 1.043 18 I CB 2.125 40.127 38.000 0.004 0.000 1.239 18 I HN 0.488 nan 8.210 nan 0.000 0.420 19 L N 5.409 126.524 121.223 -0.180 0.000 2.295 19 L HA 0.518 4.837 4.340 -0.035 0.000 0.285 19 L C -1.213 175.547 176.870 -0.185 0.000 1.035 19 L CA -0.416 54.376 54.840 -0.080 0.000 0.806 19 L CB 1.161 43.131 42.059 -0.148 0.000 1.214 19 L HN 0.382 nan 8.230 nan 0.000 0.426 20 F N 2.165 122.277 119.950 0.270 0.000 2.449 20 F HA 0.311 4.817 4.527 -0.036 0.000 0.342 20 F C 0.502 176.563 175.800 0.434 0.000 1.127 20 F CA -1.031 57.192 58.000 0.372 0.000 0.975 20 F CB 1.297 40.575 39.000 0.464 0.000 1.146 20 F HN 0.522 nan 8.300 nan 0.000 0.444 21 N N 1.335 120.373 118.700 0.564 0.000 2.327 21 N HA 0.048 4.767 4.740 -0.035 0.000 0.257 21 N C 1.012 176.837 175.510 0.524 0.000 1.281 21 N CA -0.393 52.890 53.050 0.388 0.000 0.942 21 N CB 0.329 38.957 38.487 0.236 0.000 1.199 21 N HN 0.588 nan 8.380 nan 0.000 0.532 22 Q N -0.063 119.887 119.800 0.251 0.000 2.152 22 Q HA -0.153 4.166 4.340 -0.035 0.000 0.206 22 Q C 0.985 177.183 176.000 0.330 0.000 0.985 22 Q CA 1.993 57.793 55.803 -0.006 0.000 0.863 22 Q CB -0.197 28.389 28.738 -0.254 0.000 0.904 22 Q HN 0.711 nan 8.270 nan 0.000 0.422 23 K N -1.265 119.309 120.400 0.291 0.000 2.439 23 K HA 0.105 4.404 4.320 -0.035 0.000 0.197 23 K C 0.807 177.633 176.600 0.376 0.000 1.041 23 K CA 0.563 57.020 56.287 0.284 0.000 0.970 23 K CB -0.005 32.608 32.500 0.188 0.000 0.773 23 K HN 0.441 nan 8.250 nan 0.000 0.479 24 G N 2.008 111.143 108.800 0.557 0.000 2.132 24 G HA2 -0.251 3.688 3.960 -0.035 0.000 0.228 24 G HA3 -0.251 3.688 3.960 -0.035 0.000 0.228 24 G C -0.503 174.749 174.900 0.586 0.000 1.000 24 G CA -0.109 45.353 45.100 0.603 0.000 0.693 24 G HN 0.371 nan 8.290 nan 0.000 0.515 25 E N -0.676 119.800 120.200 0.461 0.000 2.250 25 E HA 0.584 4.913 4.350 -0.035 0.000 0.269 25 E C 0.555 177.262 176.600 0.178 0.000 1.018 25 E CA -0.984 55.596 56.400 0.299 0.000 0.873 25 E CB 1.432 31.248 29.700 0.193 0.000 1.134 25 E HN 0.301 nan 8.360 nan 0.000 0.403 26 I N 2.095 122.659 120.570 -0.010 0.000 2.436 26 I HA 0.009 4.158 4.170 -0.035 0.000 0.289 26 I C 0.800 176.853 176.117 -0.106 0.000 1.083 26 I CA 0.271 61.413 61.300 -0.263 0.000 1.372 26 I CB 0.805 38.674 38.000 -0.219 0.000 1.408 26 I HN 0.656 nan 8.210 nan 0.000 0.516 27 A N 5.349 128.105 122.820 -0.107 0.000 2.308 27 A HA 0.564 4.863 4.320 -0.035 0.000 0.217 27 A C 0.869 178.382 177.584 -0.118 0.000 1.216 27 A CA 0.429 52.449 52.037 -0.028 0.000 0.864 27 A CB 0.080 19.128 19.000 0.080 0.000 0.902 27 A HN 0.861 nan 8.150 nan 0.000 0.499 28 G N -1.651 107.059 108.800 -0.151 0.000 2.402 28 G HA2 0.469 4.408 3.960 -0.035 0.000 0.301 28 G HA3 0.469 4.408 3.960 -0.035 0.000 0.301 28 G C -1.690 173.137 174.900 -0.120 0.000 1.615 28 G CA -0.213 44.810 45.100 -0.129 0.000 0.889 28 G HN 0.548 nan 8.290 nan 0.000 0.647 29 V N 0.013 119.880 119.914 -0.077 0.000 2.760 29 V HA 0.925 5.024 4.120 -0.035 0.000 0.309 29 V C 0.119 176.198 176.094 -0.025 0.000 1.077 29 V CA -0.218 62.054 62.300 -0.046 0.000 0.910 29 V CB 1.714 33.520 31.823 -0.029 0.000 1.008 29 V HN 1.953 nan 8.190 nan 0.000 0.424 30 A N 3.696 126.513 122.820 -0.006 0.000 2.427 30 A HA 0.853 5.152 4.320 -0.035 0.000 0.298 30 A C -1.041 176.558 177.584 0.025 0.000 1.036 30 A CA -0.529 51.508 52.037 0.001 0.000 0.701 30 A CB 1.965 20.958 19.000 -0.011 0.000 1.250 30 A HN 0.804 nan 8.150 nan 0.000 0.412 31 Q N 0.753 120.570 119.800 0.029 0.000 2.397 31 Q HA 0.778 5.097 4.340 -0.035 0.000 0.275 31 Q C -1.266 174.763 176.000 0.049 0.000 1.090 31 Q CA -0.854 54.979 55.803 0.050 0.000 0.809 31 Q CB 1.888 30.658 28.738 0.054 0.000 1.362 31 Q HN 0.604 nan 8.270 nan 0.000 0.431 32 R N 2.043 122.588 120.500 0.075 0.000 2.605 32 R HA 0.235 4.554 4.340 -0.035 0.000 0.291 32 R C -1.477 174.904 176.300 0.137 0.000 1.226 32 R CA -0.220 55.927 56.100 0.078 0.000 0.981 32 R CB 1.113 31.448 30.300 0.058 0.000 1.215 32 R HN 0.733 nan 8.270 nan 0.000 0.428 33 E N 3.843 124.094 120.200 0.085 0.000 2.408 33 E HA 0.243 4.572 4.350 -0.035 0.000 0.259 33 E C -0.304 176.369 176.600 0.122 0.000 1.110 33 E CA 0.144 56.569 56.400 0.040 0.000 0.929 33 E CB 0.596 30.263 29.700 -0.055 0.000 0.971 33 E HN 0.441 nan 8.360 nan 0.000 0.438 34 F N -1.468 118.445 119.950 -0.062 0.000 2.603 34 F HA 0.507 5.011 4.527 -0.037 0.000 0.317 34 F C -0.145 175.575 175.800 -0.134 0.000 1.066 34 F CA -1.615 56.334 58.000 -0.085 0.000 0.941 34 F CB 0.843 39.793 39.000 -0.082 0.000 1.291 34 F HN 0.129 nan 8.300 nan 0.000 0.472 35 K N 1.071 121.427 120.400 -0.074 0.000 2.380 35 K HA 0.160 4.459 4.320 -0.035 0.000 0.267 35 K C -0.821 175.533 176.600 -0.410 0.000 0.990 35 K CA -0.191 55.901 56.287 -0.325 0.000 0.946 35 K CB 0.510 32.730 32.500 -0.468 0.000 0.937 35 K HN 0.671 nan 8.250 nan 0.000 0.491 36 Q N 3.000 122.469 119.800 -0.552 0.000 2.331 36 Q HA 0.231 4.550 4.340 -0.035 0.000 0.267 36 Q C -1.382 174.026 176.000 -0.985 0.000 1.006 36 Q CA -0.503 54.961 55.803 -0.565 0.000 0.818 36 Q CB 1.524 29.982 28.738 -0.466 0.000 1.276 36 Q HN 0.508 nan 8.270 nan 0.000 0.450 37 Y N 1.149 121.050 120.300 -0.667 0.000 2.341 37 Y HA 0.407 4.936 4.550 -0.036 0.000 0.337 37 Y C -0.002 175.518 175.900 -0.634 0.000 1.014 37 Y CA -0.670 57.089 58.100 -0.568 0.000 1.111 37 Y CB 1.092 39.370 38.460 -0.304 0.000 1.194 37 Y HN 0.469 nan 8.280 nan 0.000 0.462 38 F N 3.910 123.943 119.950 0.138 0.000 2.530 38 F HA 0.295 4.800 4.527 -0.036 0.000 0.318 38 F C -1.533 174.312 175.800 0.075 0.000 1.356 38 F CA -1.732 56.323 58.000 0.092 0.000 1.135 38 F CB 0.419 39.436 39.000 0.028 0.000 1.315 38 F HN 0.446 nan 8.300 nan 0.000 0.549 39 P HA -0.198 nan 4.420 nan 0.000 0.217 39 P C -0.258 176.961 177.300 -0.135 0.000 1.158 39 P CA 1.685 64.814 63.100 0.048 0.000 0.887 39 P CB 0.333 32.076 31.700 0.072 0.000 0.792 40 Q N -1.845 117.794 119.800 -0.269 0.000 2.416 40 Q HA 0.398 4.716 4.340 -0.035 0.000 0.281 40 Q C -0.657 175.249 176.000 -0.157 0.000 1.067 40 Q CA -0.767 54.789 55.803 -0.412 0.000 0.809 40 Q CB 1.909 30.042 28.738 -1.008 0.000 1.418 40 Q HN -0.224 nan 8.270 nan 0.000 0.411 41 S N 0.598 116.257 115.700 -0.068 0.000 2.626 41 S HA 0.181 4.630 4.470 -0.035 0.000 0.303 41 S C 1.125 175.816 174.600 0.151 0.000 1.256 41 S CA 1.341 59.560 58.200 0.032 0.000 1.069 41 S CB -0.031 63.185 63.200 0.027 0.000 0.807 41 S HN 0.967 nan 8.310 nan 0.000 0.500 42 G N 2.721 111.605 108.800 0.139 0.000 2.268 42 G HA2 -0.235 3.704 3.960 -0.035 0.000 0.240 42 G HA3 -0.235 3.704 3.960 -0.035 0.000 0.240 42 G C -0.163 174.880 174.900 0.240 0.000 1.010 42 G CA -0.185 45.012 45.100 0.161 0.000 0.618 42 G HN 0.594 nan 8.290 nan 0.000 0.516 43 W N 0.583 121.881 121.300 -0.003 0.000 2.218 43 W HA 0.621 5.260 4.660 -0.034 0.000 0.326 43 W C 0.200 176.765 176.519 0.076 0.000 1.276 43 W CA -0.578 56.765 57.345 -0.003 0.000 1.210 43 W CB 1.179 30.652 29.460 0.021 0.000 1.143 43 W HN 0.228 nan 8.180 nan 0.000 0.563 44 V N 3.280 123.284 119.914 0.150 0.000 2.668 44 V HA 0.416 4.515 4.120 -0.035 0.000 0.304 44 V C -0.472 175.541 176.094 -0.134 0.000 1.071 44 V CA -1.231 61.111 62.300 0.070 0.000 0.894 44 V CB 1.713 33.518 31.823 -0.029 0.000 1.008 44 V HN 0.515 nan 8.190 nan 0.000 0.425 45 E N 2.275 122.365 120.200 -0.183 0.000 2.408 45 E HA 0.641 4.970 4.350 -0.035 0.000 0.275 45 E C -1.585 174.865 176.600 -0.249 0.000 0.935 45 E CA -0.970 55.294 56.400 -0.228 0.000 0.775 45 E CB 3.030 32.678 29.700 -0.087 0.000 1.277 45 E HN 0.821 nan 8.360 nan 0.000 0.455 46 H N -0.364 118.704 119.070 -0.003 0.000 2.834 46 H HA 0.265 4.799 4.556 -0.037 0.000 0.369 46 H C -1.170 174.121 175.328 -0.063 0.000 1.174 46 H CA -1.055 55.042 56.048 0.081 0.000 1.165 46 H CB 1.714 31.613 29.762 0.227 0.000 1.820 46 H HN 0.323 nan 8.280 nan 0.000 0.558 47 D N 0.938 121.460 120.400 0.203 0.000 2.428 47 D HA 0.199 4.817 4.640 -0.035 0.000 0.221 47 D C 0.919 177.302 176.300 0.138 0.000 1.123 47 D CA -0.211 53.886 54.000 0.162 0.000 0.869 47 D CB 0.944 41.892 40.800 0.246 0.000 1.032 47 D HN 0.664 nan 8.370 nan 0.000 0.506 48 A N 4.871 127.721 122.820 0.049 0.000 1.940 48 A HA -0.309 3.990 4.320 -0.035 0.000 0.221 48 A C 1.934 179.671 177.584 0.255 0.000 1.190 48 A CA 1.532 53.528 52.037 -0.069 0.000 0.647 48 A CB -0.419 18.267 19.000 -0.524 0.000 0.821 48 A HN 0.647 nan 8.150 nan 0.000 0.457 49 N N -0.613 118.244 118.700 0.261 0.000 2.142 49 N HA -0.145 4.574 4.740 -0.035 0.000 0.186 49 N C 1.738 177.423 175.510 0.292 0.000 1.023 49 N CA 1.462 54.733 53.050 0.369 0.000 0.852 49 N CB -0.439 38.214 38.487 0.277 0.000 0.998 49 N HN 0.788 nan 8.380 nan 0.000 0.424 50 E N 0.721 121.036 120.200 0.191 0.000 2.150 50 E HA -0.057 4.272 4.350 -0.035 0.000 0.193 50 E C 1.944 178.542 176.600 -0.003 0.000 0.985 50 E CA 0.424 56.894 56.400 0.115 0.000 0.814 50 E CB 0.056 29.845 29.700 0.148 0.000 0.752 50 E HN 0.290 nan 8.360 nan 0.000 0.466 51 I N 0.569 121.105 120.570 -0.056 0.000 2.179 51 I HA -0.262 3.887 4.170 -0.035 0.000 0.242 51 I C 2.413 178.540 176.117 0.016 0.000 1.088 51 I CA 1.142 62.286 61.300 -0.260 0.000 1.357 51 I CB -0.567 37.323 38.000 -0.184 0.000 1.051 51 I HN 0.464 nan 8.210 nan 0.000 0.409 52 W N 2.402 123.722 121.300 0.033 0.000 2.332 52 W HA -0.313 4.325 4.660 -0.037 0.000 0.321 52 W C 2.701 179.174 176.519 -0.076 0.000 1.219 52 W CA 2.237 59.547 57.345 -0.057 0.000 1.277 52 W CB -0.334 29.088 29.460 -0.063 0.000 1.161 52 W HN 0.264 nan 8.180 nan 0.000 0.476 53 T N -0.956 113.486 114.554 -0.187 0.000 2.849 53 T HA -0.253 4.076 4.350 -0.035 0.000 0.270 53 T C 1.997 176.551 174.700 -0.244 0.000 1.066 53 T CA 2.154 64.070 62.100 -0.307 0.000 1.130 53 T CB -0.947 67.870 68.868 -0.085 0.000 0.864 53 T HN 0.289 nan 8.240 nan 0.000 0.481 54 S N 1.191 116.795 115.700 -0.160 0.000 2.357 54 S HA -0.022 4.427 4.470 -0.035 0.000 0.221 54 S C 2.071 176.592 174.600 -0.131 0.000 1.031 54 S CA 0.869 59.006 58.200 -0.105 0.000 0.982 54 S CB -0.963 62.194 63.200 -0.071 0.000 0.853 54 S HN 0.380 nan 8.310 nan 0.000 0.458 55 V N 1.625 121.437 119.914 -0.170 0.000 2.490 55 V HA -0.054 4.044 4.120 -0.035 0.000 0.250 55 V C 2.491 178.442 176.094 -0.237 0.000 1.061 55 V CA 1.435 63.651 62.300 -0.140 0.000 1.064 55 V CB -0.870 30.910 31.823 -0.073 0.000 0.670 55 V HN 0.371 nan 8.190 nan 0.000 0.461 56 L N 0.253 121.189 121.223 -0.478 0.000 2.156 56 L HA 0.056 4.375 4.340 -0.035 0.000 0.208 56 L C 2.406 179.133 176.870 -0.237 0.000 1.095 56 L CA 1.945 56.469 54.840 -0.527 0.000 0.770 56 L CB -0.874 40.641 42.059 -0.906 0.000 0.914 56 L HN 0.245 nan 8.230 nan 0.000 0.439 57 A N -0.734 121.973 122.820 -0.188 0.000 1.854 57 A HA 0.016 4.315 4.320 -0.035 0.000 0.214 57 A C 1.334 178.890 177.584 -0.048 0.000 1.192 57 A CA 1.131 53.113 52.037 -0.092 0.000 0.611 57 A CB -1.209 17.748 19.000 -0.071 0.000 0.832 57 A HN 0.240 nan 8.150 nan 0.000 0.442 61 E N 1.017 121.179 120.200 -0.064 0.000 2.023 61 E HA -0.119 4.210 4.350 -0.035 0.000 0.196 61 E C 2.135 178.680 176.600 -0.092 0.000 1.003 61 E CA 1.661 58.019 56.400 -0.071 0.000 0.809 61 E CB -0.136 29.538 29.700 -0.043 0.000 0.755 61 E HN 0.202 nan 8.360 nan 0.000 0.449 62 V N 1.168 121.034 119.914 -0.080 0.000 2.392 62 V HA -0.258 3.841 4.120 -0.035 0.000 0.249 62 V C 1.983 177.988 176.094 -0.149 0.000 1.059 62 V CA 1.616 63.859 62.300 -0.095 0.000 1.051 62 V CB -0.267 31.518 31.823 -0.063 0.000 0.658 62 V HN 0.277 nan 8.190 nan 0.000 0.455 63 I N 0.103 120.561 120.570 -0.187 0.000 2.163 63 I HA -0.194 3.955 4.170 -0.035 0.000 0.240 63 I C 2.305 178.274 176.117 -0.247 0.000 1.081 63 I CA 2.027 63.167 61.300 -0.266 0.000 1.353 63 I CB -0.583 37.159 38.000 -0.431 0.000 1.054 63 I HN 0.376 nan 8.210 nan 0.000 0.407 64 N N 0.940 119.502 118.700 -0.229 0.000 2.047 64 N HA -0.177 4.541 4.740 -0.035 0.000 0.193 64 N C 1.720 177.151 175.510 -0.132 0.000 1.055 64 N CA 1.194 54.137 53.050 -0.177 0.000 0.847 64 N CB -0.352 38.044 38.487 -0.151 0.000 1.038 64 N HN 0.114 nan 8.380 nan 0.000 0.427 65 E N 0.427 120.561 120.200 -0.110 0.000 2.208 65 E HA -0.120 4.209 4.350 -0.035 0.000 0.202 65 E C 0.298 176.843 176.600 -0.091 0.000 1.014 65 E CA 1.033 57.382 56.400 -0.086 0.000 0.819 65 E CB -0.194 29.463 29.700 -0.070 0.000 0.735 65 E HN 0.355 nan 8.360 nan 0.000 0.469 66 N N 0.889 119.518 118.700 -0.119 0.000 2.251 66 N HA -0.032 4.687 4.740 -0.035 0.000 0.217 66 N C -0.582 174.846 175.510 -0.137 0.000 1.124 66 N CA 0.166 53.139 53.050 -0.128 0.000 0.843 66 N CB 0.517 38.906 38.487 -0.163 0.000 1.024 66 N HN 0.026 nan 8.380 nan 0.000 0.501 67 D N 0.947 121.275 120.400 -0.120 0.000 2.740 67 D HA -0.176 4.443 4.640 -0.035 0.000 0.231 67 D C -1.070 175.161 176.300 -0.115 0.000 1.194 67 D CA 0.557 54.495 54.000 -0.103 0.000 0.673 67 D CB -0.815 39.947 40.800 -0.063 0.000 0.995 67 D HN -0.053 nan 8.370 nan 0.000 0.411 68 V N 2.227 122.040 119.914 -0.169 0.000 2.656 68 V HA 0.425 4.524 4.120 -0.035 0.000 0.307 68 V C 0.896 176.898 176.094 -0.153 0.000 1.051 68 V CA -0.924 61.269 62.300 -0.178 0.000 0.893 68 V CB 2.091 33.685 31.823 -0.383 0.000 0.999 68 V HN 0.097 nan 8.190 nan 0.000 0.426 69 R N 1.986 122.444 120.500 -0.071 0.000 2.582 69 R HA 0.438 4.757 4.340 -0.035 0.000 0.271 69 R C 1.315 177.585 176.300 -0.051 0.000 1.078 69 R CA 0.285 56.343 56.100 -0.069 0.000 1.127 69 R CB 0.934 31.229 30.300 -0.008 0.000 1.038 69 R HN 0.896 nan 8.270 nan 0.000 0.500 70 A N 1.888 124.656 122.820 -0.086 0.000 2.015 70 A HA -0.165 4.133 4.320 -0.035 0.000 0.219 70 A C 1.153 178.859 177.584 0.204 0.000 1.163 70 A CA 1.706 53.746 52.037 0.006 0.000 0.646 70 A CB -0.331 18.626 19.000 -0.072 0.000 0.806 70 A HN 0.848 nan 8.150 nan 0.000 0.448 71 D N -0.635 119.840 120.400 0.124 0.000 2.336 71 D HA -0.048 4.571 4.640 -0.035 0.000 0.229 71 D C 1.205 177.573 176.300 0.113 0.000 1.061 71 D CA 0.411 54.485 54.000 0.124 0.000 0.875 71 D CB -0.380 40.469 40.800 0.082 0.000 0.904 71 D HN 0.580 nan 8.370 nan 0.000 0.525 72 Q N -0.195 119.687 119.800 0.137 0.000 2.282 72 Q HA 0.163 4.482 4.340 -0.035 0.000 0.206 72 Q C -0.060 176.050 176.000 0.184 0.000 0.878 72 Q CA -0.230 55.674 55.803 0.170 0.000 0.944 72 Q CB 0.961 29.853 28.738 0.257 0.000 1.100 72 Q HN 0.297 nan 8.270 nan 0.000 0.509 73 I N 1.211 121.878 120.570 0.162 0.000 2.291 73 I HA 0.118 4.267 4.170 -0.035 0.000 0.292 73 I C 1.119 177.227 176.117 -0.014 0.000 1.064 73 I CA -0.167 61.194 61.300 0.102 0.000 1.269 73 I CB 0.470 38.587 38.000 0.194 0.000 1.418 73 I HN 0.042 nan 8.210 nan 0.000 0.485 74 A N 5.282 128.029 122.820 -0.122 0.000 1.969 74 A HA 0.345 4.644 4.320 -0.035 0.000 0.218 74 A C 1.125 178.607 177.584 -0.169 0.000 1.169 74 A CA 1.249 53.194 52.037 -0.153 0.000 0.635 74 A CB -0.158 18.691 19.000 -0.252 0.000 0.810 74 A HN 0.816 nan 8.150 nan 0.000 0.445 75 G N -2.071 106.605 108.800 -0.208 0.000 2.547 75 G HA2 0.497 4.436 3.960 -0.035 0.000 0.291 75 G HA3 0.497 4.436 3.960 -0.035 0.000 0.291 75 G C -1.374 173.443 174.900 -0.139 0.000 1.471 75 G CA -0.677 44.322 45.100 -0.169 0.000 0.798 75 G HN 0.155 nan 8.290 nan 0.000 0.504 76 I N 0.451 120.954 120.570 -0.110 0.000 2.474 76 I HA 0.639 4.788 4.170 -0.035 0.000 0.294 76 I C 0.507 176.626 176.117 0.004 0.000 1.005 76 I CA -0.879 60.384 61.300 -0.061 0.000 1.113 76 I CB 2.400 40.328 38.000 -0.121 0.000 1.289 76 I HN 0.665 nan 8.210 nan 0.000 0.436 77 G N 6.580 115.409 108.800 0.049 0.000 2.513 77 G HA2 0.776 4.714 3.960 -0.035 0.000 0.317 77 G HA3 0.776 4.714 3.960 -0.035 0.000 0.317 77 G C -1.003 173.944 174.900 0.078 0.000 1.277 77 G CA -0.410 44.735 45.100 0.075 0.000 0.955 77 G HN 0.463 nan 8.290 nan 0.000 0.484 78 I N 1.417 122.026 120.570 0.065 0.000 2.418 78 I HA 0.431 4.580 4.170 -0.035 0.000 0.287 78 I C -0.015 176.128 176.117 0.044 0.000 1.008 78 I CA -0.581 60.752 61.300 0.053 0.000 1.104 78 I CB 2.489 40.505 38.000 0.026 0.000 1.264 78 I HN 0.449 nan 8.210 nan 0.000 0.438 79 T N 5.445 120.036 114.554 0.061 0.000 2.916 79 T HA 0.651 4.980 4.350 -0.035 0.000 0.292 79 T C -1.152 173.589 174.700 0.069 0.000 1.055 79 T CA -0.568 61.565 62.100 0.054 0.000 1.009 79 T CB 1.399 70.305 68.868 0.064 0.000 1.118 79 T HN 0.838 nan 8.240 nan 0.000 0.497 80 N N 1.430 120.166 118.700 0.060 0.000 2.927 80 N HA 0.209 4.928 4.740 -0.035 0.000 0.248 80 N C -1.503 174.056 175.510 0.082 0.000 1.443 80 N CA -0.885 52.218 53.050 0.089 0.000 0.870 80 N CB 1.045 39.588 38.487 0.093 0.000 1.444 80 N HN 0.800 nan 8.380 nan 0.000 0.519 81 Q N 0.501 120.392 119.800 0.152 0.000 2.289 81 Q HA 0.293 4.612 4.340 -0.035 0.000 0.273 81 Q C -0.344 175.735 176.000 0.131 0.000 1.029 81 Q CA -0.057 55.850 55.803 0.174 0.000 0.896 81 Q CB 0.877 29.875 28.738 0.432 0.000 1.182 81 Q HN 0.356 nan 8.270 nan 0.000 0.385 82 R N 1.974 122.456 120.500 -0.030 0.000 2.652 82 R HA 0.075 4.394 4.340 -0.035 0.000 0.271 82 R C 0.132 176.510 176.300 0.130 0.000 1.129 82 R CA -0.222 55.880 56.100 0.003 0.000 1.200 82 R CB 0.336 30.572 30.300 -0.108 0.000 1.146 82 R HN 0.887 nan 8.270 nan 0.000 0.581 83 E N -1.476 118.810 120.200 0.144 0.000 5.229 83 E HA -0.263 4.066 4.350 -0.035 0.000 0.167 83 E C -0.314 176.451 176.600 0.275 0.000 1.240 83 E CA 2.276 58.802 56.400 0.209 0.000 2.124 83 E CB -1.570 28.212 29.700 0.136 0.000 1.848 83 E HN 0.680 nan 8.360 nan 0.000 0.388 84 T N 2.493 117.254 114.554 0.345 0.000 2.709 84 T HA 0.074 4.403 4.350 -0.035 0.000 0.269 84 T C 0.119 174.942 174.700 0.204 0.000 1.008 84 T CA 1.156 63.432 62.100 0.294 0.000 1.194 84 T CB 0.161 69.249 68.868 0.367 0.000 0.986 84 T HN 0.159 nan 8.240 nan 0.000 0.508 85 T N 3.839 118.500 114.554 0.177 0.000 2.907 85 T HA 0.575 4.904 4.350 -0.035 0.000 0.284 85 T C -0.120 174.631 174.700 0.085 0.000 1.004 85 T CA -0.608 61.599 62.100 0.177 0.000 1.063 85 T CB 1.189 70.232 68.868 0.292 0.000 0.992 85 T HN 0.354 nan 8.240 nan 0.000 0.483 86 V N 2.896 122.820 119.914 0.017 0.000 2.686 86 V HA 0.543 4.642 4.120 -0.035 0.000 0.306 86 V C -0.785 175.364 176.094 0.092 0.000 1.065 86 V CA -0.772 61.516 62.300 -0.020 0.000 0.894 86 V CB 2.201 33.875 31.823 -0.250 0.000 1.004 86 V HN 0.677 nan 8.190 nan 0.000 0.424 87 V N 4.599 124.571 119.914 0.096 0.000 2.483 87 V HA 0.642 4.741 4.120 -0.035 0.000 0.297 87 V C -0.782 175.354 176.094 0.071 0.000 1.027 87 V CA -0.489 61.816 62.300 0.007 0.000 0.855 87 V CB 1.584 33.423 31.823 0.028 0.000 0.995 87 V HN 1.032 nan 8.190 nan 0.000 0.424 88 W N 2.592 123.785 121.300 -0.179 0.000 3.017 88 W HA 0.791 5.428 4.660 -0.037 0.000 0.341 88 W C -0.911 175.543 176.519 -0.109 0.000 1.180 88 W CA -1.135 56.123 57.345 -0.146 0.000 1.097 88 W CB 0.755 30.127 29.460 -0.147 0.000 1.468 88 W HN 0.463 nan 8.180 nan 0.000 0.584 89 D N 1.484 122.010 120.400 0.210 0.000 2.295 89 D HA 0.075 4.694 4.640 -0.035 0.000 0.248 89 D C 1.265 177.685 176.300 0.200 0.000 1.154 89 D CA -0.092 53.990 54.000 0.136 0.000 0.857 89 D CB 1.577 42.497 40.800 0.201 0.000 1.117 89 D HN 0.554 nan 8.370 nan 0.000 0.468 90 K N 2.927 123.323 120.400 -0.007 0.000 2.089 90 K HA -0.291 4.008 4.320 -0.035 0.000 0.210 90 K C 0.803 177.505 176.600 0.170 0.000 1.048 90 K CA 1.671 57.945 56.287 -0.020 0.000 0.926 90 K CB 0.007 32.365 32.500 -0.237 0.000 0.714 90 K HN 0.608 nan 8.250 nan 0.000 0.448 91 H N -0.980 118.229 119.070 0.231 0.000 2.287 91 H HA -0.028 4.507 4.556 -0.035 0.000 0.309 91 H C 2.231 177.703 175.328 0.240 0.000 1.059 91 H CA 2.001 58.177 56.048 0.214 0.000 1.357 91 H CB -0.506 29.332 29.762 0.127 0.000 1.409 91 H HN 0.393 nan 8.280 nan 0.000 0.515 92 T N -1.939 112.828 114.554 0.354 0.000 3.072 92 T HA 0.055 4.384 4.350 -0.035 0.000 0.266 92 T C 1.781 176.674 174.700 0.323 0.000 1.127 92 T CA 0.582 62.847 62.100 0.275 0.000 1.107 92 T CB -0.647 68.347 68.868 0.210 0.000 0.910 92 T HN 0.638 nan 8.240 nan 0.000 0.513 93 G N 1.891 110.976 108.800 0.475 0.000 2.283 93 G HA2 -0.256 3.683 3.960 -0.035 0.000 0.280 93 G HA3 -0.256 3.683 3.960 -0.035 0.000 0.280 93 G C -0.055 175.114 174.900 0.449 0.000 1.029 93 G CA -0.111 45.354 45.100 0.609 0.000 0.840 93 G HN 0.649 nan 8.290 nan 0.000 0.505 94 R N 0.134 120.872 120.500 0.397 0.000 2.534 94 R HA 0.398 4.717 4.340 -0.035 0.000 0.301 94 R C -2.624 173.841 176.300 0.274 0.000 0.961 94 R CA -1.959 54.325 56.100 0.308 0.000 0.871 94 R CB 2.398 32.831 30.300 0.223 0.000 1.170 94 R HN 0.104 nan 8.270 nan 0.000 0.446 95 P HA 0.079 nan 4.420 nan 0.000 0.271 95 P C 0.908 178.268 177.300 0.099 0.000 1.216 95 P CA -0.018 63.120 63.100 0.064 0.000 0.771 95 P CB 0.498 32.107 31.700 -0.151 0.000 0.864 96 I N -0.057 120.583 120.570 0.117 0.000 3.564 96 I HA 0.210 4.359 4.170 -0.035 0.000 0.294 96 I C -0.096 176.135 176.117 0.190 0.000 1.289 96 I CA 0.477 61.850 61.300 0.122 0.000 1.325 96 I CB -0.382 37.674 38.000 0.094 0.000 1.039 96 I HN 0.191 nan 8.210 nan 0.000 0.474 97 Y N 0.014 120.314 120.300 0.001 0.000 2.774 97 Y HA 0.351 4.879 4.550 -0.037 0.000 0.346 97 Y C -0.541 175.360 175.900 0.002 0.000 1.222 97 Y CA -1.290 56.796 58.100 -0.022 0.000 1.088 97 Y CB 0.688 39.182 38.460 0.057 0.000 1.354 97 Y HN 0.036 nan 8.280 nan 0.000 0.455 98 H N 1.607 120.218 119.070 -0.764 0.000 2.913 98 H HA 0.466 5.001 4.556 -0.035 0.000 0.365 98 H C -0.146 175.111 175.328 -0.118 0.000 1.155 98 H CA 0.279 56.060 56.048 -0.444 0.000 1.417 98 H CB 0.760 30.170 29.762 -0.587 0.000 1.386 98 H HN 0.689 nan 8.280 nan 0.000 0.614 99 A N 3.395 126.257 122.820 0.070 0.000 2.409 99 A HA 0.227 4.526 4.320 -0.035 0.000 0.267 99 A C 0.127 177.730 177.584 0.032 0.000 1.127 99 A CA -0.436 51.631 52.037 0.051 0.000 0.795 99 A CB -0.163 18.854 19.000 0.029 0.000 1.061 99 A HN 0.589 nan 8.150 nan 0.000 0.502 100 I N 3.666 124.256 120.570 0.032 0.000 2.396 100 I HA 0.120 4.269 4.170 -0.035 0.000 0.289 100 I C 0.071 176.155 176.117 -0.056 0.000 1.056 100 I CA -0.299 60.956 61.300 -0.075 0.000 1.365 100 I CB 0.937 38.845 38.000 -0.152 0.000 1.407 100 I HN 0.332 nan 8.210 nan 0.000 0.509 101 V N 6.785 126.602 119.914 -0.161 0.000 3.003 101 V HA -0.025 4.074 4.120 -0.035 0.000 0.305 101 V C 1.256 177.320 176.094 -0.051 0.000 1.078 101 V CA -0.370 61.841 62.300 -0.148 0.000 1.083 101 V CB 0.975 32.528 31.823 -0.450 0.000 1.039 101 V HN 0.940 nan 8.190 nan 0.000 0.481 102 W N 1.317 122.700 121.300 0.138 0.000 2.341 102 W HA -0.191 4.453 4.660 -0.027 0.000 0.283 102 W C 1.329 177.986 176.519 0.230 0.000 1.215 102 W CA 1.137 58.621 57.345 0.232 0.000 1.211 102 W CB -0.682 29.001 29.460 0.372 0.000 1.131 102 W HN 0.653 nan 8.180 nan 0.000 0.552 103 Q N 1.141 120.639 119.800 -0.503 0.000 2.187 103 Q HA -0.059 4.260 4.340 -0.035 0.000 0.199 103 Q C 1.419 177.221 176.000 -0.331 0.000 0.957 103 Q CA 0.742 56.217 55.803 -0.548 0.000 0.857 103 Q CB -0.162 28.092 28.738 -0.807 0.000 0.929 103 Q HN 0.065 nan 8.270 nan 0.000 0.453 104 S N 0.422 115.964 115.700 -0.263 0.000 2.561 104 S HA -0.056 4.393 4.470 -0.035 0.000 0.294 104 S C 0.747 175.199 174.600 -0.246 0.000 1.294 104 S CA 0.050 58.105 58.200 -0.242 0.000 1.055 104 S CB 0.407 63.422 63.200 -0.309 0.000 0.819 104 S HN 0.199 nan 8.310 nan 0.000 0.503 105 R N 2.512 122.876 120.500 -0.227 0.000 2.468 105 R HA 0.073 4.392 4.340 -0.035 0.000 0.280 105 R C 1.550 177.702 176.300 -0.247 0.000 0.963 105 R CA 0.104 56.100 56.100 -0.174 0.000 1.083 105 R CB -0.245 30.012 30.300 -0.070 0.000 1.200 105 R HN 0.886 nan 8.270 nan 0.000 0.541 106 Q N 0.402 119.847 119.800 -0.591 0.000 2.515 106 Q HA -0.032 4.287 4.340 -0.035 0.000 0.212 106 Q C 0.122 175.814 176.000 -0.513 0.000 0.970 106 Q CA 1.246 56.483 55.803 -0.943 0.000 0.941 106 Q CB 0.039 27.422 28.738 -2.259 0.000 0.998 106 Q HN 0.029 nan 8.270 nan 0.000 0.518 107 T N -3.770 110.610 114.554 -0.289 0.000 3.293 107 T HA 0.183 4.512 4.350 -0.035 0.000 0.276 107 T C 0.949 175.661 174.700 0.019 0.000 1.003 107 T CA -0.284 61.788 62.100 -0.046 0.000 0.916 107 T CB 0.904 69.739 68.868 -0.055 0.000 1.134 107 T HN 0.104 nan 8.240 nan 0.000 0.530 108 Q N 2.738 122.550 119.800 0.019 0.000 2.046 108 Q HA -0.100 4.219 4.340 -0.035 0.000 0.200 108 Q C 2.437 178.478 176.000 0.068 0.000 0.975 108 Q CA 2.409 58.241 55.803 0.048 0.000 0.836 108 Q CB -0.590 28.182 28.738 0.056 0.000 0.896 108 Q HN 0.673 nan 8.270 nan 0.000 0.428 109 S N -0.262 115.491 115.700 0.088 0.000 2.370 109 S HA -0.189 4.260 4.470 -0.035 0.000 0.226 109 S C 2.005 176.646 174.600 0.068 0.000 1.033 109 S CA 1.440 59.689 58.200 0.081 0.000 1.011 109 S CB -0.781 62.474 63.200 0.092 0.000 0.852 109 S HN 0.468 nan 8.310 nan 0.000 0.457 110 I N 1.337 121.952 120.570 0.076 0.000 2.208 110 I HA -0.214 3.935 4.170 -0.035 0.000 0.245 110 I C 2.671 178.811 176.117 0.038 0.000 1.097 110 I CA 1.200 62.533 61.300 0.055 0.000 1.363 110 I CB -0.737 37.303 38.000 0.068 0.000 1.051 110 I HN 0.433 nan 8.210 nan 0.000 0.413 111 C N 0.028 119.351 119.300 0.037 0.000 2.432 111 C HA -0.136 4.303 4.460 -0.035 0.000 0.277 111 C C 3.188 178.205 174.990 0.046 0.000 1.249 111 C CA 1.177 60.209 59.018 0.024 0.000 1.725 111 C CB -0.983 26.783 27.740 0.043 0.000 2.028 111 C HN 0.487 nan 8.230 nan 0.000 0.477 112 S N 0.480 116.214 115.700 0.057 0.000 2.383 112 S HA -0.172 4.277 4.470 -0.035 0.000 0.229 112 S C 1.795 176.435 174.600 0.067 0.000 1.030 112 S CA 1.262 59.499 58.200 0.062 0.000 1.002 112 S CB -0.333 62.902 63.200 0.058 0.000 0.829 112 S HN 0.619 nan 8.310 nan 0.000 0.467 113 E N 1.372 121.611 120.200 0.065 0.000 2.012 113 E HA -0.115 4.214 4.350 -0.035 0.000 0.197 113 E C 2.204 178.873 176.600 0.115 0.000 1.007 113 E CA 1.027 57.472 56.400 0.076 0.000 0.816 113 E CB -0.616 29.121 29.700 0.062 0.000 0.762 113 E HN 0.455 nan 8.360 nan 0.000 0.451 114 L N 0.735 122.034 121.223 0.126 0.000 2.079 114 L HA -0.178 4.140 4.340 -0.035 0.000 0.210 114 L C 2.717 179.732 176.870 0.241 0.000 1.081 114 L CA 1.209 56.186 54.840 0.228 0.000 0.752 114 L CB -0.428 41.725 42.059 0.158 0.000 0.896 114 L HN 0.106 nan 8.230 nan 0.000 0.433 115 K N 0.207 120.689 120.400 0.138 0.000 2.097 115 K HA -0.246 4.052 4.320 -0.035 0.000 0.206 115 K C 2.188 178.844 176.600 0.093 0.000 1.049 115 K CA 1.370 57.724 56.287 0.112 0.000 0.933 115 K CB 0.004 32.552 32.500 0.080 0.000 0.717 115 K HN 0.272 nan 8.250 nan 0.000 0.442 116 Q N 0.198 120.050 119.800 0.087 0.000 2.369 116 Q HA -0.115 4.204 4.340 -0.035 0.000 0.206 116 Q C 0.828 176.856 176.000 0.047 0.000 0.963 116 Q CA 0.974 56.813 55.803 0.060 0.000 0.894 116 Q CB 0.327 29.098 28.738 0.056 0.000 0.965 116 Q HN 0.415 nan 8.270 nan 0.000 0.475 117 Q N -1.287 118.561 119.800 0.080 0.000 2.246 117 Q HA 0.181 4.500 4.340 -0.035 0.000 0.202 117 Q C 0.653 176.529 176.000 -0.207 0.000 0.883 117 Q CA 0.330 56.139 55.803 0.011 0.000 0.952 117 Q CB 0.885 29.749 28.738 0.210 0.000 1.078 117 Q HN 0.545 nan 8.270 nan 0.000 0.493 118 G N 0.402 109.148 108.800 -0.090 0.000 2.184 118 G HA2 -0.354 3.585 3.960 -0.035 0.000 0.264 118 G HA3 -0.354 3.585 3.960 -0.035 0.000 0.264 118 G C 0.426 175.263 174.900 -0.105 0.000 0.975 118 G CA 0.409 45.436 45.100 -0.121 0.000 0.642 118 G HN 0.520 nan 8.290 nan 0.000 0.536 119 Y N 0.290 120.657 120.300 0.112 0.000 2.574 119 Y HA 0.110 4.638 4.550 -0.037 0.000 0.294 119 Y C 2.467 178.538 175.900 0.285 0.000 1.142 119 Y CA 1.417 59.619 58.100 0.169 0.000 1.314 119 Y CB 0.019 38.637 38.460 0.263 0.000 0.991 119 Y HN 0.560 nan 8.280 nan 0.000 0.555 120 E N 0.528 120.925 120.200 0.329 0.000 2.058 120 E HA -0.349 3.979 4.350 -0.035 0.000 0.194 120 E C 2.152 178.886 176.600 0.225 0.000 0.997 120 E CA 1.489 58.055 56.400 0.278 0.000 0.801 120 E CB -0.003 29.779 29.700 0.137 0.000 0.746 120 E HN 0.333 nan 8.360 nan 0.000 0.450 121 Q N 0.158 120.035 119.800 0.128 0.000 2.135 121 Q HA -0.141 4.178 4.340 -0.035 0.000 0.204 121 Q C 1.927 177.966 176.000 0.065 0.000 0.981 121 Q CA 2.312 58.157 55.803 0.070 0.000 0.856 121 Q CB -0.575 28.177 28.738 0.024 0.000 0.902 121 Q HN 0.253 nan 8.270 nan 0.000 0.425 122 T N -0.044 114.555 114.554 0.076 0.000 2.652 122 T HA -0.137 4.192 4.350 -0.035 0.000 0.267 122 T C 1.302 175.955 174.700 -0.077 0.000 1.039 122 T CA 1.658 63.741 62.100 -0.028 0.000 1.153 122 T CB -0.483 68.345 68.868 -0.066 0.000 0.863 122 T HN 0.309 nan 8.240 nan 0.000 0.428 123 F N 1.369 121.341 119.950 0.036 0.000 2.171 123 F HA -0.006 4.499 4.527 -0.036 0.000 0.300 123 F C 2.606 178.387 175.800 -0.031 0.000 1.090 123 F CA 0.930 58.928 58.000 -0.003 0.000 1.293 123 F CB -0.310 38.683 39.000 -0.012 0.000 1.013 123 F HN -0.006 nan 8.300 nan 0.000 0.486 124 R N 0.192 120.780 120.500 0.146 0.000 2.066 124 R HA -0.142 4.177 4.340 -0.035 0.000 0.232 124 R C 1.613 177.946 176.300 0.056 0.000 1.131 124 R CA 1.683 57.818 56.100 0.058 0.000 0.955 124 R CB -0.590 29.730 30.300 0.033 0.000 0.851 124 R HN 0.195 nan 8.270 nan 0.000 0.432 125 D N 0.206 120.625 120.400 0.032 0.000 2.219 125 D HA -0.088 4.531 4.640 -0.035 0.000 0.205 125 D C 1.490 177.814 176.300 0.041 0.000 0.970 125 D CA 1.247 55.246 54.000 -0.003 0.000 0.851 125 D CB 0.130 40.894 40.800 -0.059 0.000 0.943 125 D HN 0.231 nan 8.370 nan 0.000 0.488 126 K N -0.667 119.769 120.400 0.060 0.000 2.172 126 K HA 0.048 4.347 4.320 -0.035 0.000 0.203 126 K C 2.048 178.723 176.600 0.124 0.000 1.040 126 K CA 1.108 57.456 56.287 0.102 0.000 0.974 126 K CB 0.148 32.630 32.500 -0.030 0.000 0.857 126 K HN 0.139 nan 8.250 nan 0.000 0.464 127 T N -2.317 112.282 114.554 0.074 0.000 3.067 127 T HA 0.122 4.451 4.350 -0.035 0.000 0.257 127 T C 1.471 176.160 174.700 -0.019 0.000 1.105 127 T CA 0.664 62.787 62.100 0.038 0.000 1.104 127 T CB 0.257 69.151 68.868 0.045 0.000 0.925 127 T HN 0.360 nan 8.240 nan 0.000 0.498 128 G N 1.057 109.859 108.800 0.003 0.000 2.153 128 G HA2 -0.215 3.724 3.960 -0.035 0.000 0.252 128 G HA3 -0.215 3.724 3.960 -0.035 0.000 0.252 128 G C 0.130 174.982 174.900 -0.081 0.000 0.994 128 G CA 0.740 45.830 45.100 -0.018 0.000 0.698 128 G HN 0.593 nan 8.290 nan 0.000 0.521 129 L N -1.687 119.432 121.223 -0.173 0.000 2.740 129 L HA 0.931 5.250 4.340 -0.035 0.000 0.217 129 L C 0.654 177.353 176.870 -0.286 0.000 1.869 129 L CA -0.488 54.125 54.840 -0.378 0.000 2.863 129 L CB 0.207 41.686 42.059 -0.967 0.000 2.720 129 L HN 0.554 nan 8.230 nan 0.000 0.700 130 L N -2.487 118.534 121.223 -0.336 0.000 3.119 130 L HA 0.350 4.669 4.340 -0.035 0.000 0.283 130 L C -1.273 175.568 176.870 -0.048 0.000 1.028 130 L CA -0.529 54.227 54.840 -0.140 0.000 0.975 130 L CB 1.039 42.965 42.059 -0.222 0.000 1.543 130 L HN 0.179 nan 8.230 nan 0.000 0.390 131 L N 1.896 123.106 121.223 -0.022 0.000 2.583 131 L HA 0.392 4.711 4.340 -0.035 0.000 0.239 131 L C -0.575 176.359 176.870 0.107 0.000 1.347 131 L CA 0.264 55.085 54.840 -0.033 0.000 1.246 131 L CB -0.658 41.359 42.059 -0.071 0.000 1.496 131 L HN 0.577 nan 8.230 nan 0.000 0.413 132 D N 1.935 122.493 120.400 0.263 0.000 2.248 132 D HA 0.254 4.873 4.640 -0.035 0.000 0.246 132 D C -1.873 174.564 176.300 0.227 0.000 1.027 132 D CA -2.072 52.101 54.000 0.287 0.000 0.853 132 D CB 2.655 43.725 40.800 0.449 0.000 1.243 132 D HN -0.043 nan 8.370 nan 0.000 0.462 133 P HA -0.153 nan 4.420 nan 0.000 0.234 133 P C 0.918 178.262 177.300 0.073 0.000 1.162 133 P CA 0.451 63.588 63.100 0.061 0.000 0.759 133 P CB -0.170 31.522 31.700 -0.014 0.000 0.813 134 Y N 0.636 120.869 120.300 -0.111 0.000 2.439 134 Y HA 0.079 4.604 4.550 -0.042 0.000 0.292 134 Y C 0.471 176.201 175.900 -0.283 0.000 1.130 134 Y CA -0.496 57.476 58.100 -0.213 0.000 1.254 134 Y CB -0.614 37.710 38.460 -0.227 0.000 1.000 134 Y HN -0.267 nan 8.280 nan 0.000 0.554 135 F N -1.161 118.853 119.950 0.106 0.000 2.440 135 F HA 0.558 5.053 4.527 -0.053 0.000 0.328 135 F C 1.493 177.324 175.800 0.051 0.000 1.070 135 F CA -0.518 57.471 58.000 -0.019 0.000 1.011 135 F CB 0.503 39.480 39.000 -0.037 0.000 1.226 135 F HN -0.131 nan 8.300 nan 0.000 0.491 136 A N 1.877 124.866 122.820 0.283 0.000 1.873 136 A HA -0.094 4.205 4.320 -0.035 0.000 0.218 136 A C 2.419 180.087 177.584 0.141 0.000 1.193 136 A CA 2.257 54.444 52.037 0.249 0.000 0.629 136 A CB -1.640 17.580 19.000 0.365 0.000 0.826 136 A HN 1.010 nan 8.150 nan 0.000 0.447 137 G N -0.421 108.435 108.800 0.095 0.000 2.679 137 G HA2 -0.430 3.509 3.960 -0.035 0.000 0.222 137 G HA3 -0.430 3.509 3.960 -0.035 0.000 0.222 137 G C 1.772 176.672 174.900 -0.001 0.000 1.164 137 G CA 2.872 47.975 45.100 0.005 0.000 0.769 137 G HN 0.903 nan 8.290 nan 0.000 0.610 138 T N -1.005 113.567 114.554 0.031 0.000 2.904 138 T HA 0.048 4.377 4.350 -0.035 0.000 0.267 138 T C 2.149 176.895 174.700 0.077 0.000 1.059 138 T CA 1.526 63.647 62.100 0.035 0.000 1.137 138 T CB -0.174 68.713 68.868 0.031 0.000 0.879 138 T HN 0.435 nan 8.240 nan 0.000 0.467 139 K N 0.882 121.326 120.400 0.073 0.000 2.097 139 K HA 0.026 4.325 4.320 -0.035 0.000 0.205 139 K C 2.366 179.050 176.600 0.140 0.000 1.050 139 K CA 1.108 57.444 56.287 0.081 0.000 0.938 139 K CB -0.521 32.020 32.500 0.069 0.000 0.718 139 K HN 0.211 nan 8.250 nan 0.000 0.442 140 V N 2.078 122.046 119.914 0.090 0.000 2.261 140 V HA -0.282 3.817 4.120 -0.035 0.000 0.246 140 V C 2.411 178.529 176.094 0.040 0.000 1.047 140 V CA 1.841 64.174 62.300 0.055 0.000 1.015 140 V CB -0.474 31.284 31.823 -0.108 0.000 0.642 140 V HN 0.334 nan 8.190 nan 0.000 0.446 141 K N -1.126 119.283 120.400 0.013 0.000 2.074 141 K HA -0.303 3.995 4.320 -0.035 0.000 0.209 141 K C 2.009 178.623 176.600 0.023 0.000 1.048 141 K CA 2.371 58.656 56.287 -0.003 0.000 0.926 141 K CB -0.384 32.112 32.500 -0.007 0.000 0.713 141 K HN 0.572 nan 8.250 nan 0.000 0.444 142 W N 1.333 122.573 121.300 -0.100 0.000 2.335 142 W HA -0.199 4.442 4.660 -0.032 0.000 0.311 142 W C 1.620 178.041 176.519 -0.163 0.000 1.213 142 W CA 1.920 59.187 57.345 -0.129 0.000 1.274 142 W CB -0.162 29.206 29.460 -0.153 0.000 1.148 142 W HN 0.030 nan 8.180 nan 0.000 0.498 143 I N 0.229 120.951 120.570 0.253 0.000 2.179 143 I HA -0.355 3.794 4.170 -0.035 0.000 0.242 143 I C 2.346 178.393 176.117 -0.115 0.000 1.088 143 I CA 1.379 62.725 61.300 0.077 0.000 1.357 143 I CB -0.831 37.246 38.000 0.129 0.000 1.051 143 I HN 0.026 nan 8.210 nan 0.000 0.409 144 L N 0.149 121.320 121.223 -0.086 0.000 2.141 144 L HA -0.203 4.116 4.340 -0.035 0.000 0.209 144 L C 1.865 178.637 176.870 -0.163 0.000 1.094 144 L CA 1.145 55.918 54.840 -0.111 0.000 0.763 144 L CB -0.607 41.399 42.059 -0.089 0.000 0.908 144 L HN 0.262 nan 8.230 nan 0.000 0.437 145 D N -0.699 119.570 120.400 -0.218 0.000 2.249 145 D HA -0.069 4.550 4.640 -0.035 0.000 0.205 145 D C 1.742 177.826 176.300 -0.361 0.000 0.962 145 D CA 0.704 54.551 54.000 -0.256 0.000 0.860 145 D CB 0.034 40.686 40.800 -0.247 0.000 0.955 145 D HN 0.274 nan 8.370 nan 0.000 0.505 146 N N -0.411 117.959 118.700 -0.551 0.000 2.463 146 N HA 0.027 4.746 4.740 -0.035 0.000 0.183 146 N C 0.137 175.378 175.510 -0.449 0.000 1.064 146 N CA 0.113 52.765 53.050 -0.664 0.000 0.879 146 N CB 0.909 38.556 38.487 -1.399 0.000 1.148 146 N HN -0.056 nan 8.380 nan 0.000 0.451 147 V N 2.876 122.559 119.914 -0.385 0.000 2.439 147 V HA 0.044 4.143 4.120 -0.035 0.000 0.271 147 V C 0.753 176.767 176.094 -0.133 0.000 1.040 147 V CA -0.642 61.526 62.300 -0.219 0.000 1.002 147 V CB 0.568 32.295 31.823 -0.161 0.000 1.000 147 V HN 0.205 nan 8.190 nan 0.000 0.477 148 E N 3.888 124.034 120.200 -0.089 0.000 2.452 148 E HA 0.239 4.568 4.350 -0.035 0.000 0.261 148 E C 1.385 177.959 176.600 -0.044 0.000 0.987 148 E CA 0.908 57.270 56.400 -0.063 0.000 0.926 148 E CB 0.325 30.002 29.700 -0.039 0.000 0.934 148 E HN 0.973 nan 8.360 nan 0.000 0.452 149 G N 3.094 111.867 108.800 -0.045 0.000 2.347 149 G HA2 -0.451 3.488 3.960 -0.035 0.000 0.247 149 G HA3 -0.451 3.488 3.960 -0.035 0.000 0.247 149 G C 1.087 175.963 174.900 -0.039 0.000 1.037 149 G CA 0.657 45.737 45.100 -0.034 0.000 0.622 149 G HN 0.882 nan 8.290 nan 0.000 0.521 150 A N 0.689 123.479 122.820 -0.050 0.000 1.869 150 A HA -0.101 4.198 4.320 -0.035 0.000 0.218 150 A C 2.343 179.889 177.584 -0.063 0.000 1.203 150 A CA 2.576 54.580 52.037 -0.055 0.000 0.638 150 A CB -0.620 18.338 19.000 -0.070 0.000 0.831 150 A HN 0.459 nan 8.150 nan 0.000 0.450 151 R N 0.117 120.573 120.500 -0.073 0.000 2.196 151 R HA -0.221 4.097 4.340 -0.035 0.000 0.234 151 R C 2.119 178.385 176.300 -0.058 0.000 1.113 151 R CA 2.074 58.132 56.100 -0.070 0.000 0.899 151 R CB -1.042 29.215 30.300 -0.071 0.000 0.863 151 R HN 0.847 nan 8.270 nan 0.000 0.430 152 E N 0.888 121.059 120.200 -0.049 0.000 2.204 152 E HA -0.180 4.149 4.350 -0.035 0.000 0.195 152 E C 1.713 178.292 176.600 -0.035 0.000 0.990 152 E CA 1.197 57.573 56.400 -0.039 0.000 0.821 152 E CB -0.308 29.372 29.700 -0.033 0.000 0.750 152 E HN 0.401 nan 8.360 nan 0.000 0.477 153 K N 0.705 121.083 120.400 -0.036 0.000 2.103 153 K HA 0.086 4.385 4.320 -0.035 0.000 0.204 153 K C 2.242 178.816 176.600 -0.043 0.000 1.052 153 K CA 0.992 57.261 56.287 -0.030 0.000 0.945 153 K CB -0.083 32.402 32.500 -0.024 0.000 0.722 153 K HN 0.170 nan 8.250 nan 0.000 0.443 154 A N 1.614 124.399 122.820 -0.059 0.000 1.969 154 A HA -0.159 4.140 4.320 -0.035 0.000 0.218 154 A C 1.748 179.293 177.584 -0.066 0.000 1.169 154 A CA 1.252 53.242 52.037 -0.077 0.000 0.635 154 A CB -0.232 18.716 19.000 -0.087 0.000 0.810 154 A HN 0.265 nan 8.150 nan 0.000 0.445 155 E N -0.000 120.168 120.200 -0.053 0.000 2.208 155 E HA -0.102 4.227 4.350 -0.035 0.000 0.193 155 E C 1.047 177.628 176.600 -0.033 0.000 0.988 155 E CA 0.961 57.335 56.400 -0.044 0.000 0.828 155 E CB -0.223 29.453 29.700 -0.039 0.000 0.763 155 E HN 0.726 nan 8.360 nan 0.000 0.478 156 N N 0.022 118.705 118.700 -0.027 0.000 2.398 156 N HA 0.029 4.747 4.740 -0.035 0.000 0.188 156 N C 0.532 176.040 175.510 -0.004 0.000 1.122 156 N CA 0.192 53.234 53.050 -0.013 0.000 0.866 156 N CB 0.766 39.248 38.487 -0.009 0.000 0.970 156 N HN 0.113 nan 8.380 nan 0.000 0.462 157 G N 1.894 110.680 108.800 -0.024 0.000 2.246 157 G HA2 -0.225 3.714 3.960 -0.035 0.000 0.273 157 G HA3 -0.225 3.714 3.960 -0.035 0.000 0.273 157 G C 0.038 174.931 174.900 -0.013 0.000 1.055 157 G CA 0.178 45.258 45.100 -0.034 0.000 0.851 157 G HN 0.319 nan 8.290 nan 0.000 0.500 158 D N -0.633 119.762 120.400 -0.008 0.000 2.367 158 D HA 0.198 4.817 4.640 -0.035 0.000 0.207 158 D C 1.549 177.817 176.300 -0.054 0.000 1.034 158 D CA 0.426 54.454 54.000 0.047 0.000 0.861 158 D CB 0.402 41.238 40.800 0.061 0.000 0.943 158 D HN 0.549 nan 8.370 nan 0.000 0.515 159 L N 0.496 121.631 121.223 -0.147 0.000 2.330 159 L HA 0.538 4.857 4.340 -0.035 0.000 0.271 159 L C -0.357 176.239 176.870 -0.456 0.000 1.013 159 L CA -0.799 53.876 54.840 -0.274 0.000 0.816 159 L CB 2.108 44.048 42.059 -0.199 0.000 1.287 159 L HN -0.293 nan 8.230 nan 0.000 0.435 160 L N 1.288 122.028 121.223 -0.804 0.000 2.388 160 L HA 0.525 4.844 4.340 -0.035 0.000 0.264 160 L C -1.036 175.224 176.870 -1.018 0.000 0.998 160 L CA -0.489 53.718 54.840 -1.055 0.000 0.817 160 L CB 2.672 43.690 42.059 -1.737 0.000 1.338 160 L HN 0.392 nan 8.230 nan 0.000 0.414 161 F N 1.033 120.598 119.950 -0.641 0.000 2.483 161 F HA 0.900 5.404 4.527 -0.038 0.000 0.329 161 F C 0.036 175.775 175.800 -0.102 0.000 1.064 161 F CA -0.409 57.370 58.000 -0.369 0.000 0.986 161 F CB 2.157 41.023 39.000 -0.223 0.000 1.218 161 F HN 0.366 nan 8.300 nan 0.000 0.484 162 G N 1.700 109.581 108.800 -1.533 0.000 2.503 162 G HA2 0.419 4.358 3.960 -0.035 0.000 0.305 162 G HA3 0.419 4.358 3.960 -0.035 0.000 0.305 162 G C -1.209 173.253 174.900 -0.730 0.000 1.575 162 G CA -0.385 44.125 45.100 -0.984 0.000 0.890 162 G HN 0.895 nan 8.290 nan 0.000 0.612 163 T N 0.400 114.685 114.554 -0.448 0.000 2.828 163 T HA 0.366 4.695 4.350 -0.035 0.000 0.290 163 T C 1.875 176.588 174.700 0.022 0.000 1.019 163 T CA -0.653 61.393 62.100 -0.089 0.000 1.031 163 T CB 0.823 69.723 68.868 0.053 0.000 1.001 163 T HN 0.307 nan 8.240 nan 0.000 0.531 164 I N 2.156 122.786 120.570 0.100 0.000 2.143 164 I HA -0.261 3.887 4.170 -0.035 0.000 0.245 164 I C 2.535 178.735 176.117 0.138 0.000 1.068 164 I CA 2.083 63.483 61.300 0.167 0.000 1.326 164 I CB -1.531 36.577 38.000 0.179 0.000 1.028 164 I HN 0.889 nan 8.210 nan 0.000 0.412 165 D N 0.264 120.703 120.400 0.065 0.000 2.133 165 D HA -0.228 4.390 4.640 -0.035 0.000 0.192 165 D C 1.822 178.114 176.300 -0.014 0.000 1.001 165 D CA 2.363 56.366 54.000 0.006 0.000 0.844 165 D CB -0.995 39.778 40.800 -0.045 0.000 0.944 165 D HN 0.288 nan 8.370 nan 0.000 0.447 166 T N 0.074 114.632 114.554 0.006 0.000 2.708 166 T HA -0.166 4.163 4.350 -0.035 0.000 0.266 166 T C 1.512 176.297 174.700 0.143 0.000 1.037 166 T CA 1.244 63.368 62.100 0.041 0.000 1.146 166 T CB -0.742 68.135 68.868 0.016 0.000 0.865 166 T HN 0.418 nan 8.240 nan 0.000 0.435 167 W N 1.891 123.126 121.300 -0.108 0.000 2.318 167 W HA -0.169 4.469 4.660 -0.036 0.000 0.313 167 W C 1.661 177.995 176.519 -0.309 0.000 1.221 167 W CA 1.023 58.136 57.345 -0.386 0.000 1.266 167 W CB -0.447 28.802 29.460 -0.351 0.000 1.150 167 W HN 0.238 nan 8.180 nan 0.000 0.496 168 L N 0.310 121.381 121.223 -0.252 0.000 2.027 168 L HA -0.250 4.068 4.340 -0.035 0.000 0.206 168 L C 2.464 179.152 176.870 -0.302 0.000 1.074 168 L CA 1.301 55.946 54.840 -0.325 0.000 0.745 168 L CB -1.399 40.635 42.059 -0.041 0.000 0.898 168 L HN -0.176 nan 8.230 nan 0.000 0.433 169 V N -1.223 118.600 119.914 -0.152 0.000 2.407 169 V HA -0.296 3.803 4.120 -0.035 0.000 0.248 169 V C 2.063 178.087 176.094 -0.116 0.000 1.055 169 V CA 1.888 64.120 62.300 -0.113 0.000 1.049 169 V CB -0.652 31.119 31.823 -0.087 0.000 0.662 169 V HN 0.597 nan 8.190 nan 0.000 0.455 170 W N 1.035 122.171 121.300 -0.274 0.000 2.358 170 W HA -0.118 4.521 4.660 -0.035 0.000 0.303 170 W C 2.458 178.696 176.519 -0.469 0.000 1.208 170 W CA 1.522 58.728 57.345 -0.231 0.000 1.274 170 W CB 0.026 29.456 29.460 -0.050 0.000 1.138 170 W HN -0.007 nan 8.180 nan 0.000 0.515 171 K N -0.087 119.891 120.400 -0.702 0.000 2.007 171 K HA -0.138 4.160 4.320 -0.035 0.000 0.206 171 K C 1.930 177.983 176.600 -0.912 0.000 1.047 171 K CA 1.262 56.830 56.287 -1.198 0.000 0.937 171 K CB -1.442 29.651 32.500 -2.345 0.000 0.718 171 K HN 0.226 nan 8.250 nan 0.000 0.438 172 L N 1.992 122.801 121.223 -0.689 0.000 2.042 172 L HA -0.141 4.177 4.340 -0.035 0.000 0.210 172 L C 2.008 178.770 176.870 -0.180 0.000 1.076 172 L CA 2.091 56.800 54.840 -0.219 0.000 0.749 172 L CB -0.772 41.254 42.059 -0.054 0.000 0.893 172 L HN 0.221 nan 8.230 nan 0.000 0.432 173 S N -1.046 114.507 115.700 -0.244 0.000 2.650 173 S HA 0.262 4.711 4.470 -0.035 0.000 0.219 173 S C 1.375 175.812 174.600 -0.272 0.000 0.960 173 S CA 0.153 58.227 58.200 -0.210 0.000 0.925 173 S CB -0.710 62.396 63.200 -0.158 0.000 0.775 173 S HN 0.841 nan 8.310 nan 0.000 0.525 174 G N 2.181 110.773 108.800 -0.346 0.000 2.221 174 G HA2 -0.307 3.632 3.960 -0.035 0.000 0.265 174 G HA3 -0.307 3.632 3.960 -0.035 0.000 0.265 174 G C 0.384 174.977 174.900 -0.513 0.000 1.041 174 G CA 0.127 45.014 45.100 -0.356 0.000 0.807 174 G HN 0.628 nan 8.290 nan 0.000 0.502 175 K N -3.276 116.591 120.400 -0.889 0.000 3.553 175 K HA -0.303 3.996 4.320 -0.035 0.000 0.303 175 K C 2.059 178.395 176.600 -0.441 0.000 1.327 175 K CA 1.526 57.103 56.287 -1.184 0.000 0.983 175 K CB -1.953 30.006 32.500 -0.903 0.000 1.275 175 K HN 1.429 nan 8.250 nan 0.000 0.453 176 A N 1.014 123.665 122.820 -0.282 0.000 1.902 176 A HA 0.228 4.527 4.320 -0.035 0.000 0.217 176 A C 1.081 178.671 177.584 0.008 0.000 1.181 176 A CA 1.561 53.539 52.037 -0.100 0.000 0.623 176 A CB -0.010 18.936 19.000 -0.091 0.000 0.818 176 A HN 0.527 nan 8.150 nan 0.000 0.443 177 A N -0.993 121.844 122.820 0.029 0.000 2.330 177 A HA 0.577 4.876 4.320 -0.035 0.000 0.313 177 A C -0.546 177.252 177.584 0.356 0.000 1.124 177 A CA -0.371 51.759 52.037 0.155 0.000 0.774 177 A CB 0.413 19.474 19.000 0.102 0.000 1.198 177 A HN 0.463 nan 8.150 nan 0.000 0.465 178 H N 3.797 123.042 119.070 0.291 0.000 2.418 178 H HA 0.487 5.023 4.556 -0.034 0.000 0.238 178 H C -1.262 174.177 175.328 0.184 0.000 1.403 178 H CA -0.366 55.886 56.048 0.340 0.000 1.419 178 H CB 0.112 30.078 29.762 0.340 0.000 1.463 178 H HN 0.692 nan 8.280 nan 0.000 0.515 179 I N 0.109 120.640 120.570 -0.065 0.000 3.294 179 I HA 0.707 4.856 4.170 -0.035 0.000 0.311 179 I C -0.541 175.451 176.117 -0.207 0.000 1.111 179 I CA -1.066 60.156 61.300 -0.131 0.000 0.976 179 I CB 1.981 39.931 38.000 -0.082 0.000 1.260 179 I HN 0.204 nan 8.210 nan 0.000 0.474 180 T N 0.406 114.836 114.554 -0.207 0.000 2.840 180 T HA 0.466 4.795 4.350 -0.035 0.000 0.317 180 T C -1.943 172.578 174.700 -0.299 0.000 1.401 180 T CA -0.514 61.452 62.100 -0.224 0.000 1.028 180 T CB 1.133 69.951 68.868 -0.084 0.000 1.317 180 T HN 1.083 nan 8.240 nan 0.000 0.495 181 D N 1.297 121.516 120.400 -0.301 0.000 2.487 181 D HA 0.245 4.864 4.640 -0.035 0.000 0.262 181 D C 0.825 176.887 176.300 -0.397 0.000 1.130 181 D CA -0.478 53.313 54.000 -0.348 0.000 1.038 181 D CB 0.491 41.182 40.800 -0.181 0.000 1.142 181 D HN 0.530 nan 8.370 nan 0.000 0.575 182 Y N 0.414 120.560 120.300 -0.257 0.000 2.097 182 Y HA -0.270 4.257 4.550 -0.037 0.000 0.282 182 Y C 3.018 178.712 175.900 -0.344 0.000 1.152 182 Y CA 2.038 59.900 58.100 -0.397 0.000 1.136 182 Y CB -1.113 37.207 38.460 -0.233 0.000 0.975 182 Y HN 0.530 nan 8.280 nan 0.000 0.498 183 S N 0.367 116.055 115.700 -0.019 0.000 2.365 183 S HA -0.283 4.166 4.470 -0.035 0.000 0.221 183 S C 1.924 176.489 174.600 -0.058 0.000 1.037 183 S CA 1.679 59.865 58.200 -0.023 0.000 1.060 183 S CB -0.933 62.280 63.200 0.022 0.000 0.974 183 S HN 0.478 nan 8.310 nan 0.000 0.427 184 N N 2.690 121.347 118.700 -0.072 0.000 2.104 184 N HA -0.039 4.680 4.740 -0.035 0.000 0.190 184 N C 2.068 177.555 175.510 -0.039 0.000 1.024 184 N CA 1.578 54.604 53.050 -0.040 0.000 0.853 184 N CB -0.979 37.485 38.487 -0.039 0.000 1.008 184 N HN 0.663 nan 8.380 nan 0.000 0.424 185 A N 0.986 123.689 122.820 -0.196 0.000 1.933 185 A HA -0.126 4.173 4.320 -0.035 0.000 0.218 185 A C 2.192 179.663 177.584 -0.189 0.000 1.175 185 A CA 1.900 53.748 52.037 -0.315 0.000 0.628 185 A CB -0.738 17.616 19.000 -1.076 0.000 0.814 185 A HN 0.457 nan 8.150 nan 0.000 0.444 186 S N -1.060 114.531 115.700 -0.182 0.000 2.660 186 S HA 0.032 4.481 4.470 -0.035 0.000 0.228 186 S C 1.006 175.642 174.600 0.061 0.000 0.966 186 S CA 0.301 58.530 58.200 0.048 0.000 0.940 186 S CB -0.141 63.093 63.200 0.057 0.000 0.773 186 S HN 0.466 nan 8.310 nan 0.000 0.535 187 R N 1.024 121.572 120.500 0.079 0.000 2.629 187 R HA 0.204 4.523 4.340 -0.035 0.000 0.386 187 R C 0.865 177.286 176.300 0.201 0.000 1.071 187 R CA 0.712 56.885 56.100 0.122 0.000 1.104 187 R CB -0.226 30.142 30.300 0.114 0.000 1.370 187 R HN 0.674 nan 8.270 nan 0.000 0.574 188 T N -2.766 111.911 114.554 0.205 0.000 3.044 188 T HA 0.319 4.648 4.350 -0.035 0.000 0.260 188 T C 0.861 175.684 174.700 0.204 0.000 1.019 188 T CA -0.265 61.995 62.100 0.267 0.000 0.921 188 T CB 0.528 69.633 68.868 0.395 0.000 1.053 188 T HN 0.100 nan 8.240 nan 0.000 0.533 192 N N 6.768 125.172 118.700 -0.494 0.000 2.399 192 N HA 0.145 4.864 4.740 -0.035 0.000 0.259 192 N C 1.159 176.418 175.510 -0.419 0.000 1.160 192 N CA -0.038 52.819 53.050 -0.322 0.000 0.946 192 N CB 0.629 38.969 38.487 -0.246 0.000 1.156 192 N HN 0.803 nan 8.380 nan 0.000 0.489 193 I N 0.991 121.481 120.570 -0.132 0.000 3.176 193 I HA -0.055 4.094 4.170 -0.035 0.000 0.275 193 I C 0.749 176.810 176.117 -0.093 0.000 1.298 193 I CA 0.633 61.920 61.300 -0.022 0.000 1.445 193 I CB -0.200 37.823 38.000 0.038 0.000 1.075 193 I HN 0.404 nan 8.210 nan 0.000 0.482 194 H N 2.014 121.074 119.070 -0.017 0.000 2.451 194 H HA 0.017 4.552 4.556 -0.035 0.000 0.294 194 H C 1.168 176.473 175.328 -0.039 0.000 1.028 194 H CA 1.582 57.613 56.048 -0.028 0.000 1.349 194 H CB 0.242 29.956 29.762 -0.081 0.000 1.444 194 H HN 0.616 nan 8.280 nan 0.000 0.538 195 D N -0.081 120.322 120.400 0.004 0.000 2.407 195 D HA 0.037 4.656 4.640 -0.035 0.000 0.208 195 D C 0.413 176.639 176.300 -0.124 0.000 1.083 195 D CA -0.143 53.828 54.000 -0.050 0.000 0.844 195 D CB 0.070 40.834 40.800 -0.060 0.000 0.967 195 D HN 0.133 nan 8.370 nan 0.000 0.506 196 L N 0.724 121.798 121.223 -0.248 0.000 3.453 196 L HA -0.213 4.106 4.340 -0.035 0.000 0.650 196 L C -0.945 175.658 176.870 -0.444 0.000 1.276 196 L CA 0.656 55.310 54.840 -0.310 0.000 1.063 196 L CB -2.077 39.976 42.059 -0.010 0.000 1.664 196 L HN 0.529 nan 8.230 nan 0.000 0.878 197 E N -0.894 118.678 120.200 -1.048 0.000 2.393 197 E HA 0.274 4.602 4.350 -0.035 0.000 0.282 197 E C -1.064 175.177 176.600 -0.599 0.000 1.096 197 E CA -1.160 54.867 56.400 -0.622 0.000 0.866 197 E CB 0.401 29.979 29.700 -0.204 0.000 1.232 197 E HN 0.169 nan 8.360 nan 0.000 0.431 198 W N 2.107 123.377 121.300 -0.050 0.000 2.347 198 W HA 0.085 4.723 4.660 -0.037 0.000 0.333 198 W C 0.533 177.010 176.519 -0.070 0.000 1.383 198 W CA 0.181 57.533 57.345 0.011 0.000 1.283 198 W CB 0.378 29.884 29.460 0.078 0.000 1.253 198 W HN 0.343 nan 8.180 nan 0.000 0.563 199 D N 3.890 124.385 120.400 0.158 0.000 2.339 199 D HA -0.031 4.587 4.640 -0.035 0.000 0.241 199 D C 0.792 177.116 176.300 0.039 0.000 1.183 199 D CA 0.003 54.024 54.000 0.036 0.000 0.859 199 D CB 0.851 41.633 40.800 -0.030 0.000 1.067 199 D HN 0.392 nan 8.370 nan 0.000 0.484 200 D N 3.114 123.525 120.400 0.020 0.000 2.116 200 D HA -0.231 4.387 4.640 -0.035 0.000 0.193 200 D C 1.489 177.768 176.300 -0.035 0.000 0.998 200 D CA 1.112 55.113 54.000 0.000 0.000 0.836 200 D CB 0.095 40.893 40.800 -0.004 0.000 0.951 200 D HN 0.687 nan 8.370 nan 0.000 0.449 201 E N 0.545 120.709 120.200 -0.060 0.000 2.023 201 E HA -0.166 4.162 4.350 -0.035 0.000 0.196 201 E C 2.376 178.894 176.600 -0.138 0.000 1.003 201 E CA 0.762 57.102 56.400 -0.100 0.000 0.809 201 E CB -0.191 29.439 29.700 -0.117 0.000 0.755 201 E HN 0.199 nan 8.360 nan 0.000 0.449 202 L N 0.651 121.781 121.223 -0.156 0.000 2.081 202 L HA -0.242 4.077 4.340 -0.035 0.000 0.212 202 L C 2.697 179.557 176.870 -0.017 0.000 1.080 202 L CA 0.946 55.701 54.840 -0.141 0.000 0.754 202 L CB -0.557 41.455 42.059 -0.079 0.000 0.893 202 L HN 0.303 nan 8.230 nan 0.000 0.433 203 L N -0.455 120.754 121.223 -0.023 0.000 1.994 203 L HA -0.206 4.112 4.340 -0.035 0.000 0.208 203 L C 2.617 179.451 176.870 -0.061 0.000 1.071 203 L CA 1.406 56.220 54.840 -0.043 0.000 0.745 203 L CB -0.503 41.524 42.059 -0.053 0.000 0.892 203 L HN 0.266 nan 8.230 nan 0.000 0.431 204 E N -0.171 119.989 120.200 -0.067 0.000 2.077 204 E HA -0.253 4.075 4.350 -0.035 0.000 0.193 204 E C 2.086 178.634 176.600 -0.087 0.000 0.989 204 E CA 0.959 57.315 56.400 -0.073 0.000 0.800 204 E CB -0.144 29.515 29.700 -0.070 0.000 0.746 204 E HN 0.219 nan 8.360 nan 0.000 0.452 205 L N 0.350 121.505 121.223 -0.113 0.000 2.362 205 L HA -0.081 4.238 4.340 -0.035 0.000 0.219 205 L C 1.638 178.477 176.870 -0.051 0.000 1.134 205 L CA 1.343 56.088 54.840 -0.158 0.000 0.807 205 L CB 0.092 41.989 42.059 -0.269 0.000 0.927 205 L HN 0.084 nan 8.230 nan 0.000 0.447 206 L N -0.840 120.374 121.223 -0.014 0.000 2.769 206 L HA 0.121 4.440 4.340 -0.035 0.000 0.240 206 L C 0.813 177.653 176.870 -0.049 0.000 1.163 206 L CA 0.540 55.375 54.840 -0.008 0.000 0.962 206 L CB -0.339 41.728 42.059 0.014 0.000 1.258 206 L HN 0.389 nan 8.230 nan 0.000 0.513 207 T N -2.442 112.076 114.554 -0.060 0.000 3.760 207 T HA -0.194 4.135 4.350 -0.035 0.000 0.366 207 T C -0.085 174.564 174.700 -0.084 0.000 0.761 207 T CA 0.271 62.330 62.100 -0.068 0.000 1.887 207 T CB -2.667 66.163 68.868 -0.063 0.000 1.811 207 T HN 0.016 nan 8.240 nan 0.000 0.749 208 V N 1.937 121.790 119.914 -0.102 0.000 2.357 208 V HA 0.514 4.613 4.120 -0.035 0.000 0.284 208 V C -1.786 174.220 176.094 -0.147 0.000 1.018 208 V CA -2.005 60.210 62.300 -0.141 0.000 0.841 208 V CB 1.514 33.218 31.823 -0.198 0.000 0.991 208 V HN 0.326 nan 8.190 nan 0.000 0.437 209 P HA 0.132 nan 4.420 nan 0.000 0.267 209 P C 0.503 177.706 177.300 -0.161 0.000 1.200 209 P CA -0.142 62.883 63.100 -0.125 0.000 0.772 209 P CB 0.863 32.496 31.700 -0.110 0.000 0.855 210 K N 1.502 121.822 120.400 -0.133 0.000 2.365 210 K HA -0.046 4.253 4.320 -0.035 0.000 0.197 210 K C 0.908 177.425 176.600 -0.139 0.000 1.042 210 K CA 0.202 56.397 56.287 -0.154 0.000 0.987 210 K CB -0.071 32.381 32.500 -0.081 0.000 0.779 210 K HN 0.562 nan 8.250 nan 0.000 0.484 214 P HA 0.290 nan 4.420 nan 0.000 0.282 214 P C -1.123 176.351 177.300 0.291 0.000 1.287 214 P CA -0.477 62.602 63.100 -0.035 0.000 0.792 214 P CB 0.790 32.159 31.700 -0.551 0.000 1.163 215 E N -0.510 119.798 120.200 0.181 0.000 2.313 215 E HA 0.274 4.603 4.350 -0.035 0.000 0.276 215 E C -0.575 176.073 176.600 0.079 0.000 1.031 215 E CA -0.762 55.755 56.400 0.195 0.000 0.857 215 E CB 0.919 30.699 29.700 0.134 0.000 1.040 215 E HN 0.110 nan 8.360 nan 0.000 0.408 216 V N 5.160 125.081 119.914 0.013 0.000 2.408 216 V HA 0.131 4.230 4.120 -0.035 0.000 0.267 216 V C 0.370 176.270 176.094 -0.324 0.000 1.047 216 V CA -0.104 62.047 62.300 -0.247 0.000 0.937 216 V CB 0.295 31.905 31.823 -0.355 0.000 0.999 216 V HN 0.534 nan 8.190 nan 0.000 0.472 217 K N 2.816 122.980 120.400 -0.393 0.000 2.316 217 K HA 0.817 5.116 4.320 -0.035 0.000 0.234 217 K C 0.114 176.398 176.600 -0.526 0.000 1.054 217 K CA -0.692 55.424 56.287 -0.285 0.000 0.879 217 K CB 2.180 34.725 32.500 0.075 0.000 1.252 217 K HN 0.607 nan 8.250 nan 0.000 0.471 218 A N 0.414 123.126 122.820 -0.179 0.000 2.366 218 A HA 0.123 4.422 4.320 -0.035 0.000 0.250 218 A C 0.944 178.577 177.584 0.081 0.000 1.099 218 A CA 0.049 52.086 52.037 -0.000 0.000 0.794 218 A CB 0.077 19.154 19.000 0.129 0.000 1.056 218 A HN 0.657 nan 8.150 nan 0.000 0.499 219 S N -0.469 115.308 115.700 0.128 0.000 2.489 219 S HA 0.058 4.507 4.470 -0.035 0.000 0.228 219 S C 0.896 175.553 174.600 0.095 0.000 0.995 219 S CA 1.091 59.359 58.200 0.113 0.000 0.934 219 S CB -0.027 63.219 63.200 0.078 0.000 0.771 219 S HN 0.782 nan 8.310 nan 0.000 0.522 220 S N 1.343 117.061 115.700 0.030 0.000 2.395 220 S HA 0.461 4.910 4.470 -0.035 0.000 0.207 220 S C -0.935 173.579 174.600 -0.143 0.000 1.454 220 S CA -0.621 57.548 58.200 -0.050 0.000 1.211 220 S CB 0.284 63.458 63.200 -0.043 0.000 1.093 220 S HN 0.420 nan 8.310 nan 0.000 0.472 221 E N 2.802 122.770 120.200 -0.387 0.000 2.375 221 E HA 0.357 4.686 4.350 -0.035 0.000 0.280 221 E C -1.503 174.588 176.600 -0.849 0.000 0.972 221 E CA -0.808 55.279 56.400 -0.522 0.000 0.782 221 E CB 1.665 31.087 29.700 -0.464 0.000 1.229 221 E HN 0.322 nan 8.360 nan 0.000 0.439 222 V N 5.139 124.765 119.914 -0.480 0.000 2.381 222 V HA 0.025 4.124 4.120 -0.035 0.000 0.257 222 V C 0.143 176.028 176.094 -0.348 0.000 1.057 222 V CA 0.404 62.487 62.300 -0.360 0.000 1.013 222 V CB -0.573 31.144 31.823 -0.177 0.000 1.069 222 V HN 0.657 nan 8.190 nan 0.000 0.484 223 Y N 3.501 123.777 120.300 -0.039 0.000 2.519 223 Y HA 0.406 4.934 4.550 -0.035 0.000 0.287 223 Y C 1.581 177.461 175.900 -0.033 0.000 1.128 223 Y CA 0.672 58.752 58.100 -0.033 0.000 1.282 223 Y CB 0.266 38.705 38.460 -0.034 0.000 1.027 223 Y HN 0.776 nan 8.280 nan 0.000 0.551 224 G N -0.688 108.147 108.800 0.057 0.000 2.398 224 G HA2 0.269 4.208 3.960 -0.035 0.000 0.251 224 G HA3 0.269 4.208 3.960 -0.035 0.000 0.251 224 G C -1.572 173.310 174.900 -0.029 0.000 1.277 224 G CA -1.114 43.992 45.100 0.009 0.000 0.927 224 G HN -0.058 nan 8.290 nan 0.000 0.477 225 K N -0.309 120.059 120.400 -0.053 0.000 2.480 225 K HA 0.665 4.964 4.320 -0.035 0.000 0.258 225 K C -0.295 176.237 176.600 -0.113 0.000 0.990 225 K CA -0.455 55.779 56.287 -0.088 0.000 0.857 225 K CB 2.113 34.565 32.500 -0.081 0.000 1.384 225 K HN 0.854 nan 8.250 nan 0.000 0.446 226 T N -0.968 113.496 114.554 -0.150 0.000 2.907 226 T HA 0.359 4.688 4.350 -0.035 0.000 0.298 226 T C 0.748 175.365 174.700 -0.138 0.000 1.017 226 T CA -0.846 61.165 62.100 -0.149 0.000 1.118 226 T CB -0.065 68.682 68.868 -0.202 0.000 0.948 226 T HN 0.508 nan 8.240 nan 0.000 0.531 227 I N 0.923 121.377 120.570 -0.193 0.000 2.696 227 I HA 0.249 4.398 4.170 -0.035 0.000 0.284 227 I C 1.302 177.243 176.117 -0.294 0.000 1.129 227 I CA -0.843 60.275 61.300 -0.305 0.000 1.410 227 I CB 0.529 38.190 38.000 -0.565 0.000 1.399 227 I HN 0.716 nan 8.210 nan 0.000 0.579 228 D N 5.452 125.727 120.400 -0.208 0.000 2.133 228 D HA -0.347 4.272 4.640 -0.035 0.000 0.192 228 D C 1.729 177.964 176.300 -0.107 0.000 1.001 228 D CA 2.388 56.336 54.000 -0.087 0.000 0.844 228 D CB -0.992 39.798 40.800 -0.015 0.000 0.944 228 D HN 0.879 nan 8.370 nan 0.000 0.447 229 Y N -1.211 119.018 120.300 -0.118 0.000 2.497 229 Y HA 0.066 4.595 4.550 -0.035 0.000 0.292 229 Y C 1.676 177.422 175.900 -0.256 0.000 1.137 229 Y CA 0.850 58.830 58.100 -0.199 0.000 1.285 229 Y CB -0.662 37.653 38.460 -0.242 0.000 0.991 229 Y HN 0.035 nan 8.280 nan 0.000 0.556 230 H N -0.962 117.955 119.070 -0.254 0.000 2.529 230 H HA 0.191 4.727 4.556 -0.034 0.000 0.277 230 H C -0.748 174.460 175.328 -0.199 0.000 1.004 230 H CA -0.268 55.693 56.048 -0.146 0.000 1.167 230 H CB 0.157 29.887 29.762 -0.052 0.000 1.445 230 H HN 0.458 nan 8.280 nan 0.000 0.554 231 F N 0.531 120.249 119.950 -0.386 0.000 2.599 231 F HA 0.122 4.628 4.527 -0.035 0.000 0.367 231 F C -0.728 174.870 175.800 -0.335 0.000 1.517 231 F CA -0.801 56.890 58.000 -0.515 0.000 1.090 231 F CB -0.414 38.501 39.000 -0.141 0.000 1.758 231 F HN -0.107 nan 8.300 nan 0.000 0.550 232 Y N 0.089 120.326 120.300 -0.105 0.000 3.396 232 Y HA -0.198 4.331 4.550 -0.036 0.000 0.214 232 Y C 1.504 177.391 175.900 -0.022 0.000 1.203 232 Y CA 0.725 58.759 58.100 -0.110 0.000 1.401 232 Y CB -1.792 36.519 38.460 -0.249 0.000 1.409 232 Y HN 0.744 nan 8.280 nan 0.000 0.594 233 G N -2.107 106.734 108.800 0.068 0.000 2.176 233 G HA2 -0.263 3.676 3.960 -0.035 0.000 0.253 233 G HA3 -0.263 3.676 3.960 -0.035 0.000 0.253 233 G C 0.060 175.018 174.900 0.096 0.000 0.979 233 G CA 0.210 45.354 45.100 0.073 0.000 0.641 233 G HN 0.428 nan 8.290 nan 0.000 0.530 234 Q N 0.175 120.078 119.800 0.172 0.000 2.235 234 Q HA 0.530 4.849 4.340 -0.035 0.000 0.256 234 Q C -0.145 175.939 176.000 0.140 0.000 0.951 234 Q CA -0.368 55.556 55.803 0.201 0.000 0.890 234 Q CB 1.306 30.262 28.738 0.362 0.000 1.279 234 Q HN 0.576 nan 8.270 nan 0.000 0.444 235 E N 1.199 121.430 120.200 0.051 0.000 2.731 235 E HA 0.270 4.599 4.350 -0.035 0.000 0.220 235 E C -0.657 175.903 176.600 -0.068 0.000 1.087 235 E CA -0.223 56.161 56.400 -0.027 0.000 1.020 235 E CB 0.997 30.677 29.700 -0.032 0.000 1.339 235 E HN 0.190 nan 8.360 nan 0.000 0.444 236 V N 3.569 123.390 119.914 -0.155 0.000 2.686 236 V HA 0.160 4.259 4.120 -0.035 0.000 0.295 236 V C -1.785 174.185 176.094 -0.207 0.000 1.055 236 V CA -1.685 60.484 62.300 -0.218 0.000 1.050 236 V CB 0.613 32.166 31.823 -0.450 0.000 0.984 236 V HN 0.416 nan 8.190 nan 0.000 0.482 237 P HA 0.248 nan 4.420 nan 0.000 0.271 237 P C -0.676 176.554 177.300 -0.116 0.000 1.216 237 P CA 0.022 63.053 63.100 -0.116 0.000 0.776 237 P CB 0.688 32.330 31.700 -0.096 0.000 0.881 238 I N 2.362 122.894 120.570 -0.064 0.000 2.347 238 I HA 0.307 4.456 4.170 -0.035 0.000 0.283 238 I C 0.898 177.052 176.117 0.063 0.000 1.058 238 I CA -0.399 60.905 61.300 0.006 0.000 1.202 238 I CB 0.881 38.909 38.000 0.048 0.000 1.386 238 I HN 0.327 nan 8.210 nan 0.000 0.475 239 A N 4.986 127.806 122.820 0.000 0.000 2.637 239 A HA 0.709 5.008 4.320 -0.035 0.000 0.293 239 A C 0.566 178.137 177.584 -0.022 0.000 1.216 239 A CA -0.313 51.658 52.037 -0.109 0.000 0.956 239 A CB 0.180 19.106 19.000 -0.124 0.000 1.174 239 A HN 0.709 nan 8.150 nan 0.000 0.525 240 G N -0.500 108.419 108.800 0.198 0.000 2.728 240 G HA2 0.525 4.464 3.960 -0.035 0.000 0.294 240 G HA3 0.525 4.464 3.960 -0.035 0.000 0.294 240 G C -1.646 173.384 174.900 0.217 0.000 1.398 240 G CA -0.277 44.940 45.100 0.195 0.000 1.183 240 G HN 0.454 nan 8.290 nan 0.000 0.578 241 V N 0.411 120.428 119.914 0.173 0.000 2.932 241 V HA 0.970 5.069 4.120 -0.035 0.000 0.307 241 V C -0.041 176.044 176.094 -0.014 0.000 1.147 241 V CA -0.023 62.280 62.300 0.005 0.000 0.951 241 V CB 1.616 33.313 31.823 -0.211 0.000 1.031 241 V HN 1.996 nan 8.190 nan 0.000 0.426 242 A N 2.371 125.177 122.820 -0.023 0.000 2.586 242 A HA 0.731 5.030 4.320 -0.035 0.000 0.296 242 A C -0.217 177.363 177.584 -0.005 0.000 1.040 242 A CA -0.038 51.990 52.037 -0.014 0.000 0.701 242 A CB 0.850 19.839 19.000 -0.019 0.000 1.277 242 A HN 1.652 nan 8.150 nan 0.000 0.413 243 G N 1.032 109.829 108.800 -0.006 0.000 2.353 243 G HA2 0.354 4.293 3.960 -0.035 0.000 0.239 243 G HA3 0.354 4.293 3.960 -0.035 0.000 0.239 243 G C 0.630 175.520 174.900 -0.017 0.000 1.295 243 G CA 0.647 45.736 45.100 -0.019 0.000 0.884 243 G HN 1.092 nan 8.290 nan 0.000 0.537 244 D N 1.857 122.243 120.400 -0.025 0.000 2.157 244 D HA -0.268 4.351 4.640 -0.035 0.000 0.191 244 D C 1.848 178.139 176.300 -0.015 0.000 1.004 244 D CA 1.755 55.752 54.000 -0.006 0.000 0.854 244 D CB -0.168 40.630 40.800 -0.004 0.000 0.936 244 D HN 0.402 nan 8.370 nan 0.000 0.446 245 Q N -0.071 119.676 119.800 -0.087 0.000 2.079 245 Q HA -0.098 4.221 4.340 -0.035 0.000 0.200 245 Q C 2.359 178.372 176.000 0.022 0.000 0.974 245 Q CA 1.310 57.077 55.803 -0.060 0.000 0.840 245 Q CB -0.487 28.148 28.738 -0.172 0.000 0.898 245 Q HN 0.459 nan 8.270 nan 0.000 0.430 246 Q N 0.724 120.545 119.800 0.034 0.000 2.050 246 Q HA -0.038 4.281 4.340 -0.035 0.000 0.202 246 Q C 2.066 178.143 176.000 0.128 0.000 0.980 246 Q CA 1.808 57.680 55.803 0.114 0.000 0.840 246 Q CB -0.599 28.214 28.738 0.126 0.000 0.898 246 Q HN 0.444 nan 8.270 nan 0.000 0.424 247 A N 0.444 123.308 122.820 0.074 0.000 1.978 247 A HA -0.155 4.144 4.320 -0.035 0.000 0.220 247 A C 2.206 179.854 177.584 0.108 0.000 1.170 247 A CA 1.800 53.879 52.037 0.070 0.000 0.636 247 A CB -0.900 18.128 19.000 0.047 0.000 0.810 247 A HN 0.388 nan 8.150 nan 0.000 0.448 248 A N -0.795 122.077 122.820 0.087 0.000 1.929 248 A HA 0.093 4.392 4.320 -0.035 0.000 0.216 248 A C 2.072 179.690 177.584 0.057 0.000 1.176 248 A CA 1.478 53.562 52.037 0.079 0.000 0.628 248 A CB -0.510 18.536 19.000 0.076 0.000 0.816 248 A HN 0.593 nan 8.150 nan 0.000 0.444 249 L N -1.465 119.801 121.223 0.073 0.000 1.989 249 L HA -0.103 4.216 4.340 -0.035 0.000 0.211 249 L C 2.189 179.039 176.870 -0.033 0.000 1.071 249 L CA 2.208 57.073 54.840 0.041 0.000 0.749 249 L CB -0.816 41.321 42.059 0.129 0.000 0.890 249 L HN 0.417 nan 8.230 nan 0.000 0.431 250 F N 0.272 120.149 119.950 -0.121 0.000 2.095 250 F HA -0.105 4.398 4.527 -0.039 0.000 0.298 250 F C 2.264 177.933 175.800 -0.218 0.000 1.104 250 F CA 1.844 59.727 58.000 -0.196 0.000 1.232 250 F CB -0.890 37.991 39.000 -0.197 0.000 0.987 250 F HN 0.169 nan 8.300 nan 0.000 0.475 251 G N -0.817 108.012 108.800 0.049 0.000 2.450 251 G HA2 -0.244 3.695 3.960 -0.035 0.000 0.220 251 G HA3 -0.244 3.695 3.960 -0.035 0.000 0.220 251 G C 1.433 176.252 174.900 -0.135 0.000 1.130 251 G CA 0.598 45.668 45.100 -0.051 0.000 0.760 251 G HN 0.339 nan 8.290 nan 0.000 0.557 252 Q N -0.521 119.178 119.800 -0.167 0.000 2.444 252 Q HA 0.309 4.628 4.340 -0.035 0.000 0.206 252 Q C 1.529 177.254 176.000 -0.458 0.000 0.948 252 Q CA 0.644 56.324 55.803 -0.204 0.000 0.946 252 Q CB 0.170 28.812 28.738 -0.160 0.000 1.027 252 Q HN 0.652 nan 8.270 nan 0.000 0.513 253 A N -0.324 122.068 122.820 -0.712 0.000 3.115 253 A HA -0.159 4.140 4.320 -0.035 0.000 0.255 253 A C 0.128 176.922 177.584 -1.317 0.000 1.380 253 A CA 0.386 51.716 52.037 -1.179 0.000 0.806 253 A CB -2.345 16.323 19.000 -0.553 0.000 1.044 253 A HN 0.362 nan 8.150 nan 0.000 0.589 254 C N 0.382 118.998 119.300 -1.139 0.000 2.136 254 C HA 0.564 5.003 4.460 -0.035 0.000 0.381 254 C C 1.279 175.973 174.990 -0.493 0.000 1.039 254 C CA 0.097 58.741 59.018 -0.625 0.000 1.491 254 C CB -1.999 25.560 27.740 -0.301 0.000 1.663 254 C HN 0.557 nan 8.230 nan 0.000 0.470 255 F N 0.992 120.913 119.950 -0.049 0.000 2.731 255 F HA 0.145 4.653 4.527 -0.031 0.000 0.298 255 F C 1.470 177.324 175.800 0.090 0.000 1.106 255 F CA 0.010 58.044 58.000 0.056 0.000 1.329 255 F CB 0.354 39.319 39.000 -0.058 0.000 1.100 255 F HN 0.482 nan 8.300 nan 0.000 0.592 256 E N 0.317 120.604 120.200 0.146 0.000 2.459 256 E HA 0.328 4.657 4.350 -0.035 0.000 0.275 256 E C -0.720 175.903 176.600 0.038 0.000 0.987 256 E CA -1.098 55.359 56.400 0.094 0.000 0.828 256 E CB 0.691 30.440 29.700 0.081 0.000 1.428 256 E HN 0.017 nan 8.360 nan 0.000 0.457 257 R N -0.287 120.230 120.500 0.030 0.000 2.538 257 R HA 0.232 4.551 4.340 -0.035 0.000 0.273 257 R C 1.033 177.331 176.300 -0.003 0.000 0.967 257 R CA 1.779 57.887 56.100 0.014 0.000 1.101 257 R CB -0.352 29.955 30.300 0.012 0.000 0.908 257 R HN 0.961 nan 8.270 nan 0.000 0.411 258 G N 2.014 110.808 108.800 -0.010 0.000 2.317 258 G HA2 -0.241 3.698 3.960 -0.035 0.000 0.227 258 G HA3 -0.241 3.698 3.960 -0.035 0.000 0.227 258 G C -0.358 174.517 174.900 -0.042 0.000 1.042 258 G CA -0.027 45.058 45.100 -0.024 0.000 0.623 258 G HN 0.628 nan 8.290 nan 0.000 0.509 259 D N 1.311 121.679 120.400 -0.053 0.000 2.401 259 D HA 0.478 5.097 4.640 -0.035 0.000 0.254 259 D C 0.271 176.528 176.300 -0.072 0.000 1.192 259 D CA 0.497 54.441 54.000 -0.093 0.000 0.885 259 D CB 1.647 42.366 40.800 -0.135 0.000 1.147 259 D HN 0.347 nan 8.370 nan 0.000 0.478 260 V N 2.767 122.634 119.914 -0.078 0.000 2.789 260 V HA 0.551 4.650 4.120 -0.035 0.000 0.311 260 V C -0.114 175.945 176.094 -0.059 0.000 1.073 260 V CA -0.911 61.358 62.300 -0.051 0.000 0.921 260 V CB 2.234 34.035 31.823 -0.035 0.000 1.009 260 V HN 0.549 nan 8.190 nan 0.000 0.426 261 K N 2.116 122.495 120.400 -0.035 0.000 2.480 261 K HA 0.760 5.059 4.320 -0.035 0.000 0.258 261 K C -1.172 175.423 176.600 -0.008 0.000 0.990 261 K CA -0.765 55.510 56.287 -0.020 0.000 0.857 261 K CB 1.709 34.197 32.500 -0.020 0.000 1.384 261 K HN 0.450 nan 8.250 nan 0.000 0.446 262 N N -0.360 118.338 118.700 -0.004 0.000 2.310 262 N HA 0.470 5.189 4.740 -0.035 0.000 0.292 262 N C -1.689 173.771 175.510 -0.084 0.000 1.049 262 N CA -0.361 52.640 53.050 -0.081 0.000 0.849 262 N CB 2.289 40.683 38.487 -0.155 0.000 1.532 262 N HN 0.695 nan 8.380 nan 0.000 0.479 263 T N 3.006 117.494 114.554 -0.111 0.000 2.823 263 T HA 0.373 4.701 4.350 -0.035 0.000 0.279 263 T C -0.919 173.697 174.700 -0.140 0.000 0.998 263 T CA -0.106 61.993 62.100 -0.001 0.000 0.994 263 T CB 0.424 69.364 68.868 0.120 0.000 0.960 263 T HN 0.302 nan 8.240 nan 0.000 0.448 264 Y N 1.860 122.224 120.300 0.107 0.000 2.842 264 Y HA 0.557 5.104 4.550 -0.004 0.000 0.334 264 Y C 0.878 176.857 175.900 0.131 0.000 1.019 264 Y CA -0.692 57.462 58.100 0.091 0.000 1.258 264 Y CB 0.849 39.340 38.460 0.051 0.000 1.106 264 Y HN 0.881 nan 8.280 nan 0.000 0.545 265 G N 0.163 109.131 108.800 0.280 0.000 3.247 265 G HA2 0.102 4.041 3.960 -0.035 0.000 0.163 265 G HA3 0.102 4.041 3.960 -0.035 0.000 0.163 265 G C 0.934 176.012 174.900 0.297 0.000 1.206 265 G CA -0.154 45.114 45.100 0.279 0.000 0.918 265 G HN 0.287 nan 8.290 nan 0.000 0.625 266 T N 0.382 115.148 114.554 0.354 0.000 2.652 266 T HA 0.082 4.411 4.350 -0.035 0.000 0.267 266 T C 1.251 176.205 174.700 0.424 0.000 1.039 266 T CA 1.633 63.970 62.100 0.396 0.000 1.153 266 T CB -0.525 68.653 68.868 0.516 0.000 0.863 266 T HN 0.632 nan 8.240 nan 0.000 0.428 267 G N -0.754 108.349 108.800 0.505 0.000 2.597 267 G HA2 0.585 4.524 3.960 -0.035 0.000 0.317 267 G HA3 0.585 4.524 3.960 -0.035 0.000 0.317 267 G C -0.493 174.338 174.900 -0.114 0.000 1.230 267 G CA -0.413 44.827 45.100 0.234 0.000 0.996 267 G HN 0.423 nan 8.290 nan 0.000 0.490 268 G N -1.083 107.375 108.800 -0.570 0.000 2.372 268 G HA2 0.646 4.585 3.960 -0.035 0.000 0.323 268 G HA3 0.646 4.585 3.960 -0.035 0.000 0.323 268 G C -1.252 173.088 174.900 -0.934 0.000 1.152 268 G CA -0.375 44.397 45.100 -0.547 0.000 0.906 268 G HN 0.335 nan 8.290 nan 0.000 0.460 274 T N 0.366 114.942 114.554 0.037 0.000 3.266 274 T HA 0.504 4.833 4.350 -0.035 0.000 0.278 274 T C 1.007 175.734 174.700 0.046 0.000 1.010 274 T CA 0.649 62.772 62.100 0.038 0.000 0.909 274 T CB -0.264 68.629 68.868 0.041 0.000 1.122 274 T HN 0.971 nan 8.240 nan 0.000 0.536 275 G N 3.068 111.890 108.800 0.036 0.000 2.566 275 G HA2 -0.347 3.592 3.960 -0.035 0.000 0.280 275 G HA3 -0.347 3.592 3.960 -0.035 0.000 0.280 275 G C 0.327 175.263 174.900 0.060 0.000 1.225 275 G CA 0.448 45.569 45.100 0.035 0.000 0.966 275 G HN 0.670 nan 8.290 nan 0.000 0.560 276 D N 0.387 120.835 120.400 0.080 0.000 2.339 276 D HA 0.134 4.753 4.640 -0.035 0.000 0.217 276 D C 0.767 177.204 176.300 0.228 0.000 1.050 276 D CA 0.526 54.620 54.000 0.158 0.000 0.856 276 D CB 0.106 40.951 40.800 0.075 0.000 0.922 276 D HN 0.529 nan 8.370 nan 0.000 0.518 277 K N 1.169 121.627 120.400 0.097 0.000 2.266 277 K HA 0.526 4.825 4.320 -0.035 0.000 0.274 277 K C -0.373 176.137 176.600 -0.150 0.000 1.090 277 K CA -0.600 55.668 56.287 -0.033 0.000 0.925 277 K CB 1.608 34.093 32.500 -0.024 0.000 1.225 277 K HN 0.081 nan 8.250 nan 0.000 0.458 278 A N 3.139 125.636 122.820 -0.537 0.000 2.522 278 A HA 0.144 4.443 4.320 -0.035 0.000 0.256 278 A C 0.185 177.619 177.584 -0.250 0.000 1.086 278 A CA -0.218 51.424 52.037 -0.658 0.000 0.763 278 A CB 0.140 18.399 19.000 -1.236 0.000 1.024 278 A HN 0.459 nan 8.150 nan 0.000 0.502 279 V N 4.514 124.353 119.914 -0.124 0.000 2.394 279 V HA 0.249 4.347 4.120 -0.035 0.000 0.282 279 V C 0.575 176.652 176.094 -0.028 0.000 1.031 279 V CA -0.681 61.586 62.300 -0.055 0.000 0.881 279 V CB 1.451 33.261 31.823 -0.022 0.000 0.982 279 V HN 0.959 nan 8.190 nan 0.000 0.451 280 K N 3.045 123.436 120.400 -0.016 0.000 2.298 280 K HA 0.364 4.663 4.320 -0.035 0.000 0.280 280 K C 0.067 176.674 176.600 0.011 0.000 1.032 280 K CA -0.028 56.261 56.287 0.003 0.000 0.958 280 K CB 0.938 33.438 32.500 -0.000 0.000 0.978 280 K HN 0.711 nan 8.250 nan 0.000 0.472 281 S N 2.585 118.300 115.700 0.024 0.000 2.565 281 S HA 0.211 4.660 4.470 -0.035 0.000 0.290 281 S C -0.034 174.587 174.600 0.035 0.000 1.150 281 S CA -0.609 57.613 58.200 0.037 0.000 1.058 281 S CB 1.076 64.314 63.200 0.062 0.000 1.032 281 S HN 0.718 nan 8.310 nan 0.000 0.510 282 E N 2.229 122.450 120.200 0.035 0.000 2.562 282 E HA 0.221 4.550 4.350 -0.035 0.000 0.214 282 E C -0.096 176.530 176.600 0.044 0.000 0.979 282 E CA 0.082 56.502 56.400 0.033 0.000 1.002 282 E CB 0.841 30.554 29.700 0.022 0.000 1.048 282 E HN 0.470 nan 8.360 nan 0.000 0.488 283 S N -0.134 115.599 115.700 0.055 0.000 2.741 283 S HA 0.357 4.806 4.470 -0.035 0.000 0.247 283 S C 0.985 175.639 174.600 0.090 0.000 1.050 283 S CA 0.141 58.373 58.200 0.054 0.000 1.025 283 S CB 1.049 64.269 63.200 0.033 0.000 0.897 283 S HN 0.356 nan 8.310 nan 0.000 0.508 284 G N 1.666 110.557 108.800 0.153 0.000 2.136 284 G HA2 -0.216 3.723 3.960 -0.035 0.000 0.242 284 G HA3 -0.216 3.723 3.960 -0.035 0.000 0.242 284 G C -0.053 175.103 174.900 0.427 0.000 0.989 284 G CA -0.095 45.200 45.100 0.325 0.000 0.682 284 G HN 0.475 nan 8.290 nan 0.000 0.522 285 L N -0.483 120.890 121.223 0.250 0.000 2.431 285 L HA 0.718 5.037 4.340 -0.035 0.000 0.260 285 L C 0.934 177.945 176.870 0.235 0.000 1.098 285 L CA -1.078 53.910 54.840 0.247 0.000 0.800 285 L CB 1.105 43.250 42.059 0.143 0.000 1.210 285 L HN 0.002 nan 8.230 nan 0.000 0.465 286 L N 0.375 121.748 121.223 0.251 0.000 2.317 286 L HA 0.414 4.733 4.340 -0.035 0.000 0.281 286 L C -0.358 176.589 176.870 0.129 0.000 1.024 286 L CA -0.445 54.512 54.840 0.196 0.000 0.810 286 L CB 1.875 44.121 42.059 0.312 0.000 1.240 286 L HN 0.548 nan 8.230 nan 0.000 0.427 287 T N 1.095 115.692 114.554 0.071 0.000 2.753 287 T HA 0.420 4.749 4.350 -0.035 0.000 0.297 287 T C -0.048 174.687 174.700 0.058 0.000 0.981 287 T CA -0.195 61.934 62.100 0.050 0.000 0.956 287 T CB 1.217 70.086 68.868 0.001 0.000 0.936 287 T HN 0.624 nan 8.240 nan 0.000 0.463 288 T N 2.435 117.052 114.554 0.104 0.000 2.841 288 T HA 0.614 4.943 4.350 -0.035 0.000 0.296 288 T C -0.792 173.987 174.700 0.132 0.000 1.166 288 T CA -0.746 61.420 62.100 0.110 0.000 1.007 288 T CB 0.875 69.799 68.868 0.093 0.000 1.253 288 T HN 0.453 nan 8.240 nan 0.000 0.511 289 I N 2.843 123.444 120.570 0.050 0.000 2.441 289 I HA 0.332 4.481 4.170 -0.035 0.000 0.287 289 I C 1.455 177.528 176.117 -0.074 0.000 1.049 289 I CA -0.385 60.848 61.300 -0.113 0.000 1.381 289 I CB 1.453 39.350 38.000 -0.172 0.000 1.409 289 I HN 0.856 nan 8.210 nan 0.000 0.523 290 A N 7.280 130.006 122.820 -0.156 0.000 1.855 290 A HA 0.065 4.364 4.320 -0.035 0.000 0.213 290 A C 0.221 177.860 177.584 0.092 0.000 1.195 290 A CA 1.262 53.263 52.037 -0.061 0.000 0.610 290 A CB 0.042 18.910 19.000 -0.220 0.000 0.837 290 A HN 0.792 nan 8.150 nan 0.000 0.444 291 Y N -5.027 115.272 120.300 -0.003 0.000 2.721 291 Y HA 0.514 5.041 4.550 -0.039 0.000 0.357 291 Y C -0.404 175.512 175.900 0.028 0.000 1.183 291 Y CA -1.146 56.969 58.100 0.025 0.000 1.231 291 Y CB 0.165 38.651 38.460 0.044 0.000 1.390 291 Y HN 0.273 nan 8.280 nan 0.000 0.488 292 G N 2.330 111.313 108.800 0.305 0.000 2.384 292 G HA2 0.650 4.589 3.960 -0.035 0.000 0.316 292 G HA3 0.650 4.589 3.960 -0.035 0.000 0.316 292 G C -1.563 173.497 174.900 0.266 0.000 1.160 292 G CA -0.853 44.418 45.100 0.286 0.000 0.936 292 G HN 1.000 nan 8.290 nan 0.000 0.455 293 I N 1.635 122.345 120.570 0.234 0.000 2.743 293 I HA 0.265 4.414 4.170 -0.035 0.000 0.292 293 I C -1.131 175.073 176.117 0.144 0.000 1.343 293 I CA -0.637 60.776 61.300 0.189 0.000 1.038 293 I CB 2.085 40.223 38.000 0.229 0.000 1.311 293 I HN 0.552 nan 8.210 nan 0.000 0.426 294 D N 5.598 126.057 120.400 0.099 0.000 2.723 294 D HA -0.173 4.446 4.640 -0.035 0.000 0.236 294 D C 0.954 177.291 176.300 0.062 0.000 1.138 294 D CA 1.623 55.666 54.000 0.071 0.000 0.676 294 D CB -1.240 39.602 40.800 0.070 0.000 1.069 294 D HN 1.281 nan 8.370 nan 0.000 0.430 295 G N -1.201 107.638 108.800 0.065 0.000 2.257 295 G HA2 -0.389 3.550 3.960 -0.035 0.000 0.267 295 G HA3 -0.389 3.550 3.960 -0.035 0.000 0.267 295 G C 0.527 175.446 174.900 0.031 0.000 0.984 295 G CA 1.006 46.137 45.100 0.051 0.000 0.626 295 G HN 0.418 nan 8.290 nan 0.000 0.540 296 K N -0.078 120.343 120.400 0.036 0.000 2.087 296 K HA 0.669 4.968 4.320 -0.035 0.000 0.255 296 K C -0.256 176.310 176.600 -0.056 0.000 0.988 296 K CA -0.502 55.783 56.287 -0.002 0.000 0.915 296 K CB 2.142 34.659 32.500 0.028 0.000 1.043 296 K HN 0.182 nan 8.250 nan 0.000 0.457 297 V N 2.922 122.733 119.914 -0.171 0.000 2.443 297 V HA 0.161 4.259 4.120 -0.035 0.000 0.272 297 V C -0.294 175.522 176.094 -0.464 0.000 1.002 297 V CA -0.846 61.240 62.300 -0.357 0.000 0.840 297 V CB 0.848 32.331 31.823 -0.567 0.000 1.042 297 V HN 0.693 nan 8.190 nan 0.000 0.446 298 N N 3.051 121.454 118.700 -0.494 0.000 2.525 298 N HA 0.453 5.172 4.740 -0.035 0.000 0.271 298 N C -1.087 174.100 175.510 -0.538 0.000 1.194 298 N CA -0.254 52.503 53.050 -0.487 0.000 0.964 298 N CB 1.209 39.288 38.487 -0.679 0.000 1.126 298 N HN 0.469 nan 8.380 nan 0.000 0.452 299 Y N 0.384 120.565 120.300 -0.198 0.000 2.565 299 Y HA 0.679 5.204 4.550 -0.041 0.000 0.325 299 Y C 0.341 176.182 175.900 -0.099 0.000 1.221 299 Y CA -0.606 57.413 58.100 -0.136 0.000 1.316 299 Y CB 1.341 39.738 38.460 -0.104 0.000 1.404 299 Y HN 0.490 nan 8.280 nan 0.000 0.527 300 A N 0.349 123.256 122.820 0.146 0.000 2.608 300 A HA 0.643 4.942 4.320 -0.035 0.000 0.292 300 A C -2.163 175.476 177.584 0.092 0.000 1.066 300 A CA -0.747 51.343 52.037 0.088 0.000 0.676 300 A CB 0.938 19.979 19.000 0.069 0.000 1.277 300 A HN 0.633 nan 8.150 nan 0.000 0.413 301 L N 1.359 122.628 121.223 0.076 0.000 2.282 301 L HA 0.603 4.922 4.340 -0.035 0.000 0.288 301 L C 0.194 177.123 176.870 0.098 0.000 1.033 301 L CA -0.215 54.674 54.840 0.081 0.000 0.807 301 L CB 1.605 43.699 42.059 0.060 0.000 1.209 301 L HN 0.892 nan 8.230 nan 0.000 0.423 302 E N 2.065 122.346 120.200 0.135 0.000 2.238 302 E HA 0.596 4.925 4.350 -0.035 0.000 0.267 302 E C -0.831 175.883 176.600 0.190 0.000 0.887 302 E CA -0.764 55.736 56.400 0.167 0.000 0.769 302 E CB 2.188 32.015 29.700 0.212 0.000 1.187 302 E HN 0.653 nan 8.360 nan 0.000 0.416 303 G N 1.695 110.582 108.800 0.144 0.000 2.417 303 G HA2 0.435 4.374 3.960 -0.035 0.000 0.320 303 G HA3 0.435 4.374 3.960 -0.035 0.000 0.320 303 G C -0.975 173.948 174.900 0.038 0.000 1.204 303 G CA -0.458 44.690 45.100 0.081 0.000 0.923 303 G HN 0.341 nan 8.290 nan 0.000 0.466 304 S N 1.401 117.071 115.700 -0.050 0.000 2.456 304 S HA 0.520 4.969 4.470 -0.035 0.000 0.316 304 S C -0.250 173.916 174.600 -0.723 0.000 1.089 304 S CA -0.386 57.650 58.200 -0.272 0.000 1.101 304 S CB 1.082 64.285 63.200 0.005 0.000 0.995 304 S HN 0.486 nan 8.310 nan 0.000 0.468 305 I N 3.974 124.023 120.570 -0.870 0.000 2.382 305 I HA 0.266 4.415 4.170 -0.035 0.000 0.285 305 I C 0.072 175.829 176.117 -0.600 0.000 1.007 305 I CA -0.537 60.348 61.300 -0.691 0.000 1.142 305 I CB 1.063 38.803 38.000 -0.433 0.000 1.289 305 I HN 0.566 nan 8.210 nan 0.000 0.453 306 F N 5.109 124.941 119.950 -0.198 0.000 2.095 306 F HA -0.095 4.454 4.527 0.037 0.000 0.298 306 F C 1.161 177.068 175.800 0.180 0.000 1.104 306 F CA 0.948 59.004 58.000 0.093 0.000 1.232 306 F CB -0.312 38.706 39.000 0.030 0.000 0.987 306 F HN 0.108 nan 8.300 nan 0.000 0.475 307 V N -0.333 119.724 119.914 0.238 0.000 2.376 307 V HA 0.366 4.465 4.120 -0.035 0.000 0.287 307 V C 0.199 176.380 176.094 0.145 0.000 1.015 307 V CA -0.205 62.230 62.300 0.225 0.000 0.834 307 V CB 1.201 33.167 31.823 0.239 0.000 1.001 307 V HN 0.186 nan 8.190 nan 0.000 0.428 308 S N 4.123 119.924 115.700 0.169 0.000 3.316 308 S HA 0.272 4.721 4.470 -0.035 0.000 0.174 308 S C 1.868 176.590 174.600 0.204 0.000 0.734 308 S CA 0.882 59.176 58.200 0.157 0.000 0.861 308 S CB 0.135 63.410 63.200 0.124 0.000 1.009 308 S HN 0.811 nan 8.310 nan 0.000 0.728 309 G N 0.869 109.802 108.800 0.223 0.000 2.443 309 G HA2 -0.109 3.830 3.960 -0.035 0.000 0.219 309 G HA3 -0.109 3.830 3.960 -0.035 0.000 0.219 309 G C 1.578 176.607 174.900 0.216 0.000 1.131 309 G CA 1.236 46.461 45.100 0.208 0.000 0.775 309 G HN 0.575 nan 8.290 nan 0.000 0.547 310 S N 0.624 116.469 115.700 0.240 0.000 2.440 310 S HA 0.014 4.463 4.470 -0.035 0.000 0.238 310 S C 2.564 177.328 174.600 0.273 0.000 1.010 310 S CA 1.545 59.887 58.200 0.237 0.000 0.972 310 S CB -0.294 63.055 63.200 0.247 0.000 0.774 310 S HN 0.528 nan 8.310 nan 0.000 0.501 311 A N 0.774 123.788 122.820 0.324 0.000 2.016 311 A HA 0.182 4.481 4.320 -0.035 0.000 0.217 311 A C 2.000 179.835 177.584 0.418 0.000 1.162 311 A CA 0.901 53.207 52.037 0.448 0.000 0.662 311 A CB -0.424 18.791 19.000 0.358 0.000 0.812 311 A HN 0.639 nan 8.150 nan 0.000 0.450 312 I N -1.004 119.733 120.570 0.278 0.000 2.333 312 I HA -0.208 3.941 4.170 -0.035 0.000 0.246 312 I C 2.673 178.895 176.117 0.174 0.000 1.106 312 I CA 1.319 62.743 61.300 0.207 0.000 1.411 312 I CB -0.405 37.684 38.000 0.149 0.000 1.082 312 I HN 0.467 nan 8.210 nan 0.000 0.420 313 Q N 0.587 120.492 119.800 0.175 0.000 2.152 313 Q HA -0.289 4.029 4.340 -0.035 0.000 0.206 313 Q C 2.156 178.241 176.000 0.141 0.000 0.985 313 Q CA 2.192 58.075 55.803 0.133 0.000 0.863 313 Q CB -0.237 28.582 28.738 0.135 0.000 0.904 313 Q HN 0.578 nan 8.270 nan 0.000 0.422 314 W N 0.884 122.175 121.300 -0.014 0.000 2.355 314 W HA -0.155 4.487 4.660 -0.031 0.000 0.309 314 W C 1.581 178.081 176.519 -0.032 0.000 1.206 314 W CA 1.393 58.684 57.345 -0.089 0.000 1.284 314 W CB -0.469 28.873 29.460 -0.196 0.000 1.145 314 W HN 0.132 nan 8.180 nan 0.000 0.502 315 L N 0.411 121.597 121.223 -0.061 0.000 2.129 315 L HA -0.263 4.056 4.340 -0.035 0.000 0.212 315 L C 2.782 179.493 176.870 -0.264 0.000 1.087 315 L CA 1.912 56.599 54.840 -0.255 0.000 0.757 315 L CB -0.918 41.122 42.059 -0.031 0.000 0.896 315 L HN 0.081 nan 8.230 nan 0.000 0.434 316 R N -0.018 120.399 120.500 -0.138 0.000 2.048 316 R HA -0.106 4.213 4.340 -0.035 0.000 0.224 316 R C 1.840 178.064 176.300 -0.127 0.000 1.163 316 R CA 1.590 57.626 56.100 -0.105 0.000 0.956 316 R CB 0.024 30.305 30.300 -0.031 0.000 0.849 316 R HN 0.229 nan 8.270 nan 0.000 0.435 317 D N -0.747 119.596 120.400 -0.096 0.000 2.183 317 D HA -0.008 4.611 4.640 -0.035 0.000 0.205 317 D C 1.620 177.847 176.300 -0.122 0.000 0.962 317 D CA 1.335 55.293 54.000 -0.070 0.000 0.849 317 D CB -0.340 40.464 40.800 0.006 0.000 0.978 317 D HN 0.468 nan 8.370 nan 0.000 0.488 318 G N 0.481 109.134 108.800 -0.245 0.000 2.425 318 G HA2 -0.070 3.868 3.960 -0.035 0.000 0.213 318 G HA3 -0.070 3.868 3.960 -0.035 0.000 0.213 318 G C 1.473 176.112 174.900 -0.436 0.000 1.201 318 G CA 0.047 44.943 45.100 -0.341 0.000 0.799 318 G HN 0.219 nan 8.290 nan 0.000 0.534 319 L N 0.036 120.852 121.223 -0.679 0.000 2.592 319 L HA 0.298 4.617 4.340 -0.035 0.000 0.227 319 L C 0.889 177.549 176.870 -0.349 0.000 1.127 319 L CA -0.312 54.208 54.840 -0.533 0.000 0.884 319 L CB -0.172 41.456 42.059 -0.719 0.000 1.065 319 L HN 0.198 nan 8.230 nan 0.000 0.457 323 N N 1.771 120.476 118.700 0.009 0.000 2.368 323 N HA 0.068 4.787 4.740 -0.035 0.000 0.176 323 N C 0.240 175.753 175.510 0.006 0.000 1.021 323 N CA 0.958 54.008 53.050 -0.000 0.000 0.888 323 N CB 0.072 38.562 38.487 0.006 0.000 0.995 323 N HN 0.866 nan 8.380 nan 0.000 0.437 324 S N -2.718 112.995 115.700 0.022 0.000 2.556 324 S HA 0.769 5.218 4.470 -0.035 0.000 0.271 324 S C 0.664 175.289 174.600 0.041 0.000 1.135 324 S CA -0.479 57.738 58.200 0.027 0.000 0.858 324 S CB 1.616 64.832 63.200 0.026 0.000 1.114 324 S HN 0.232 nan 8.310 nan 0.000 0.468 325 A N 1.736 124.584 122.820 0.045 0.000 1.903 325 A HA 0.042 4.341 4.320 -0.035 0.000 0.219 325 A C -0.564 177.057 177.584 0.061 0.000 1.191 325 A CA 2.174 54.247 52.037 0.059 0.000 0.638 325 A CB -2.282 16.758 19.000 0.067 0.000 0.823 325 A HN 0.716 nan 8.150 nan 0.000 0.451 326 P HA -0.187 nan 4.420 nan 0.000 0.218 326 P C 1.568 178.898 177.300 0.051 0.000 1.148 326 P CA 1.538 64.667 63.100 0.048 0.000 0.822 326 P CB -0.135 31.587 31.700 0.037 0.000 0.784 327 Q N 0.230 120.067 119.800 0.063 0.000 2.226 327 Q HA -0.164 4.155 4.340 -0.035 0.000 0.204 327 Q C 2.074 178.171 176.000 0.163 0.000 0.975 327 Q CA 1.900 57.755 55.803 0.088 0.000 0.866 327 Q CB -0.364 28.443 28.738 0.116 0.000 0.915 327 Q HN 0.302 nan 8.270 nan 0.000 0.440 328 S N 0.235 116.020 115.700 0.141 0.000 2.365 328 S HA -0.302 4.147 4.470 -0.035 0.000 0.225 328 S C 1.766 176.434 174.600 0.113 0.000 1.039 328 S CA 1.555 59.843 58.200 0.146 0.000 1.033 328 S CB -0.575 62.675 63.200 0.083 0.000 0.887 328 S HN 0.568 nan 8.310 nan 0.000 0.447 329 E N 1.172 121.402 120.200 0.050 0.000 2.070 329 E HA -0.213 4.116 4.350 -0.035 0.000 0.197 329 E C 2.142 178.696 176.600 -0.076 0.000 1.004 329 E CA 1.363 57.751 56.400 -0.021 0.000 0.805 329 E CB -0.498 29.216 29.700 0.024 0.000 0.744 329 E HN 0.601 nan 8.360 nan 0.000 0.451 330 S N -0.809 114.857 115.700 -0.056 0.000 2.380 330 S HA -0.256 4.193 4.470 -0.035 0.000 0.229 330 S C 1.832 176.309 174.600 -0.205 0.000 1.050 330 S CA 1.889 59.994 58.200 -0.158 0.000 1.100 330 S CB -0.587 62.464 63.200 -0.248 0.000 0.984 330 S HN 0.480 nan 8.310 nan 0.000 0.434 331 Y N 1.603 121.824 120.300 -0.130 0.000 2.097 331 Y HA -0.053 4.476 4.550 -0.035 0.000 0.282 331 Y C 2.912 178.671 175.900 -0.235 0.000 1.152 331 Y CA 1.113 59.123 58.100 -0.150 0.000 1.136 331 Y CB -1.056 37.336 38.460 -0.112 0.000 0.975 331 Y HN 0.386 nan 8.280 nan 0.000 0.498 332 A N -0.081 122.647 122.820 -0.153 0.000 1.948 332 A HA -0.244 4.055 4.320 -0.035 0.000 0.220 332 A C 2.196 179.445 177.584 -0.559 0.000 1.177 332 A CA 2.401 54.151 52.037 -0.479 0.000 0.636 332 A CB -1.423 17.057 19.000 -0.868 0.000 0.815 332 A HN 0.544 nan 8.150 nan 0.000 0.449 333 T N -3.336 110.967 114.554 -0.418 0.000 3.148 333 T HA 0.068 4.397 4.350 -0.035 0.000 0.253 333 T C 1.510 176.117 174.700 -0.154 0.000 1.134 333 T CA 0.866 62.812 62.100 -0.257 0.000 1.051 333 T CB -0.159 68.622 68.868 -0.145 0.000 0.959 333 T HN 0.494 nan 8.240 nan 0.000 0.525 334 R N 1.230 121.630 120.500 -0.167 0.000 2.317 334 R HA 0.270 4.589 4.340 -0.035 0.000 0.208 334 R C -0.016 176.212 176.300 -0.119 0.000 0.914 334 R CA 0.078 56.102 56.100 -0.127 0.000 1.060 334 R CB 0.146 30.364 30.300 -0.135 0.000 1.015 334 R HN 0.495 nan 8.270 nan 0.000 0.498 335 V N -2.996 116.834 119.914 -0.141 0.000 3.007 335 V HA 0.363 4.461 4.120 -0.035 0.000 0.311 335 V C -0.245 175.824 176.094 -0.042 0.000 1.120 335 V CA -1.008 61.219 62.300 -0.121 0.000 0.980 335 V CB 2.173 33.825 31.823 -0.284 0.000 1.033 335 V HN -0.162 nan 8.190 nan 0.000 0.429 336 D N 1.659 122.070 120.400 0.019 0.000 2.312 336 D HA 0.140 4.759 4.640 -0.035 0.000 0.211 336 D C 0.963 177.325 176.300 0.103 0.000 0.964 336 D CA 1.779 55.819 54.000 0.066 0.000 0.877 336 D CB 0.380 41.223 40.800 0.071 0.000 0.924 336 D HN 1.040 nan 8.370 nan 0.000 0.515 337 S N -2.700 113.062 115.700 0.104 0.000 2.656 337 S HA 0.179 4.628 4.470 -0.035 0.000 0.265 337 S C 0.477 175.180 174.600 0.172 0.000 1.132 337 S CA -0.196 58.086 58.200 0.138 0.000 0.819 337 S CB 0.920 64.205 63.200 0.141 0.000 1.119 337 S HN -0.047 nan 8.310 nan 0.000 0.476 338 T N -1.962 112.676 114.554 0.141 0.000 3.107 338 T HA 0.317 4.645 4.350 -0.035 0.000 0.249 338 T C 0.183 174.949 174.700 0.109 0.000 1.096 338 T CA 0.554 62.746 62.100 0.154 0.000 1.012 338 T CB -1.002 67.871 68.868 0.009 0.000 0.977 338 T HN 0.817 nan 8.240 nan 0.000 0.527 339 E N 0.860 121.116 120.200 0.093 0.000 2.149 339 E HA -0.229 4.100 4.350 -0.035 0.000 0.191 339 E C 1.096 177.669 176.600 -0.046 0.000 1.384 339 E CA 0.333 56.736 56.400 0.006 0.000 0.698 339 E CB -1.767 27.893 29.700 -0.067 0.000 1.086 339 E HN 0.909 nan 8.360 nan 0.000 0.338 340 G N -1.243 107.515 108.800 -0.069 0.000 2.199 340 G HA2 -0.354 3.585 3.960 -0.035 0.000 0.254 340 G HA3 -0.354 3.585 3.960 -0.035 0.000 0.254 340 G C 0.431 175.243 174.900 -0.146 0.000 0.982 340 G CA 0.107 45.156 45.100 -0.085 0.000 0.632 340 G HN 0.400 nan 8.290 nan 0.000 0.529 341 V N 0.997 120.817 119.914 -0.156 0.000 2.530 341 V HA 0.614 4.713 4.120 -0.035 0.000 0.282 341 V C 0.033 176.002 176.094 -0.209 0.000 1.048 341 V CA -0.262 61.982 62.300 -0.092 0.000 0.997 341 V CB 0.848 32.656 31.823 -0.025 0.000 0.987 341 V HN 0.245 nan 8.190 nan 0.000 0.477 342 Y N 2.518 122.883 120.300 0.109 0.000 2.499 342 Y HA 0.677 5.206 4.550 -0.035 0.000 0.347 342 Y C -0.137 175.826 175.900 0.105 0.000 0.987 342 Y CA -0.911 57.281 58.100 0.153 0.000 1.044 342 Y CB 2.339 40.886 38.460 0.146 0.000 1.245 342 Y HN 0.305 nan 8.280 nan 0.000 0.461 343 V N 3.616 123.721 119.914 0.318 0.000 2.443 343 V HA 0.383 4.481 4.120 -0.035 0.000 0.293 343 V C -1.012 175.215 176.094 0.221 0.000 1.021 343 V CA -0.869 61.505 62.300 0.125 0.000 0.848 343 V CB 1.599 33.416 31.823 -0.010 0.000 0.998 343 V HN 0.525 nan 8.190 nan 0.000 0.424 344 V N 7.898 127.833 119.914 0.035 0.000 2.277 344 V HA 0.315 4.414 4.120 -0.035 0.000 0.269 344 V C -1.833 174.104 176.094 -0.261 0.000 1.036 344 V CA -1.494 60.779 62.300 -0.046 0.000 0.821 344 V CB 1.704 33.376 31.823 -0.252 0.000 1.052 344 V HN 0.746 nan 8.190 nan 0.000 0.462 345 P HA 0.152 nan 4.420 nan 0.000 0.225 345 P C 0.390 177.228 177.300 -0.769 0.000 1.768 345 P CA -0.015 62.559 63.100 -0.877 0.000 0.943 345 P CB 0.302 31.721 31.700 -0.468 0.000 1.936 346 A N 0.267 122.751 122.820 -0.561 0.000 3.033 346 A HA 0.199 4.497 4.320 -0.035 0.000 0.250 346 A C 1.071 178.489 177.584 -0.277 0.000 1.633 346 A CA -0.548 51.316 52.037 -0.288 0.000 1.290 346 A CB -1.679 17.212 19.000 -0.183 0.000 1.048 346 A HN 0.209 nan 8.150 nan 0.000 0.648 347 F N -0.049 119.806 119.950 -0.158 0.000 2.269 347 F HA -0.119 4.388 4.527 -0.033 0.000 0.301 347 F C 1.487 177.171 175.800 -0.195 0.000 1.082 347 F CA 1.353 59.212 58.000 -0.236 0.000 1.360 347 F CB 0.256 39.055 39.000 -0.335 0.000 1.041 347 F HN 0.340 nan 8.300 nan 0.000 0.512 348 V N -2.287 117.610 119.914 -0.029 0.000 2.647 348 V HA 0.775 4.874 4.120 -0.035 0.000 0.305 348 V C 0.198 176.130 176.094 -0.270 0.000 1.162 348 V CA -0.406 61.786 62.300 -0.181 0.000 1.248 348 V CB -0.221 31.414 31.823 -0.314 0.000 1.508 348 V HN 0.398 nan 8.190 nan 0.000 0.647 349 G N 1.165 109.912 108.800 -0.088 0.000 2.828 349 G HA2 -0.134 3.805 3.960 -0.035 0.000 0.463 349 G HA3 -0.134 3.805 3.960 -0.035 0.000 0.463 349 G C -0.873 174.135 174.900 0.180 0.000 1.394 349 G CA -0.245 44.860 45.100 0.009 0.000 0.862 349 G HN 0.776 nan 8.290 nan 0.000 0.540 350 L N 1.169 122.510 121.223 0.197 0.000 2.317 350 L HA 0.696 5.015 4.340 -0.035 0.000 0.281 350 L C 1.410 178.287 176.870 0.013 0.000 1.024 350 L CA -0.163 54.757 54.840 0.133 0.000 0.810 350 L CB 1.466 43.548 42.059 0.039 0.000 1.240 350 L HN 1.028 nan 8.230 nan 0.000 0.427 351 G N 0.926 109.404 108.800 -0.538 0.000 2.945 351 G HA2 0.216 4.155 3.960 -0.035 0.000 0.156 351 G HA3 0.216 4.155 3.960 -0.035 0.000 0.156 351 G C -0.342 173.736 174.900 -1.371 0.000 1.375 351 G CA -0.344 43.842 45.100 -1.522 0.000 1.039 351 G HN 0.444 nan 8.290 nan 0.000 0.586 352 T N 2.581 116.356 114.554 -1.299 0.000 2.849 352 T HA 0.226 4.554 4.350 -0.035 0.000 0.289 352 T C -1.505 172.929 174.700 -0.444 0.000 1.010 352 T CA 0.168 61.903 62.100 -0.608 0.000 1.161 352 T CB 1.325 70.063 68.868 -0.217 0.000 0.989 352 T HN 0.311 nan 8.240 nan 0.000 0.523 353 P HA 0.172 nan 4.420 nan 0.000 0.275 353 P C 0.446 177.597 177.300 -0.249 0.000 1.310 353 P CA 0.066 62.974 63.100 -0.321 0.000 0.904 353 P CB 0.214 31.745 31.700 -0.281 0.000 1.381 354 Y N -1.472 118.771 120.300 -0.094 0.000 2.263 354 Y HA 0.030 4.573 4.550 -0.012 0.000 0.292 354 Y C 0.599 176.585 175.900 0.142 0.000 1.130 354 Y CA 0.214 58.317 58.100 0.005 0.000 1.179 354 Y CB -1.323 37.106 38.460 -0.052 0.000 0.998 354 Y HN -0.168 nan 8.280 nan 0.000 0.532 355 W N 1.756 123.185 121.300 0.215 0.000 6.228 355 W HA -0.222 4.410 4.660 -0.047 0.000 0.430 355 W C -0.512 176.125 176.519 0.196 0.000 1.759 355 W CA 0.509 57.978 57.345 0.207 0.000 1.013 355 W CB -0.855 28.713 29.460 0.180 0.000 2.940 355 W HN 0.080 nan 8.180 nan 0.000 1.326 356 D N 0.179 120.776 120.400 0.327 0.000 2.420 356 D HA 0.337 4.956 4.640 -0.035 0.000 0.255 356 D C 0.787 177.199 176.300 0.186 0.000 1.185 356 D CA -0.252 53.882 54.000 0.223 0.000 0.904 356 D CB 1.173 42.053 40.800 0.133 0.000 1.102 356 D HN -0.057 nan 8.370 nan 0.000 0.534 357 S N 2.161 117.975 115.700 0.190 0.000 2.447 357 S HA -0.094 4.355 4.470 -0.035 0.000 0.233 357 S C 1.434 176.071 174.600 0.062 0.000 1.006 357 S CA 0.618 58.890 58.200 0.119 0.000 0.957 357 S CB 0.240 63.513 63.200 0.121 0.000 0.773 357 S HN 0.510 nan 8.310 nan 0.000 0.507 358 E N 1.472 121.711 120.200 0.065 0.000 2.318 358 E HA 0.247 4.576 4.350 -0.035 0.000 0.193 358 E C 0.928 177.548 176.600 0.033 0.000 0.998 358 E CA 0.106 56.530 56.400 0.040 0.000 0.859 358 E CB -0.391 29.327 29.700 0.030 0.000 0.812 358 E HN 0.452 nan 8.360 nan 0.000 0.492 359 A N 2.264 125.104 122.820 0.033 0.000 2.507 359 A HA 0.205 4.504 4.320 -0.035 0.000 0.235 359 A C 0.467 178.058 177.584 0.012 0.000 1.070 359 A CA 0.241 52.289 52.037 0.019 0.000 0.768 359 A CB 0.376 19.365 19.000 -0.018 0.000 1.011 359 A HN -0.074 nan 8.150 nan 0.000 0.502 360 R N 0.163 120.673 120.500 0.017 0.000 2.855 360 R HA 0.517 4.836 4.340 -0.035 0.000 0.266 360 R C 0.331 176.555 176.300 -0.126 0.000 1.034 360 R CA -0.188 55.901 56.100 -0.018 0.000 0.944 360 R CB 1.042 31.382 30.300 0.068 0.000 1.219 360 R HN 0.962 nan 8.270 nan 0.000 0.474 361 G N 0.042 108.706 108.800 -0.227 0.000 2.353 361 G HA2 0.411 4.350 3.960 -0.035 0.000 0.239 361 G HA3 0.411 4.350 3.960 -0.035 0.000 0.239 361 G C -0.649 174.073 174.900 -0.295 0.000 1.295 361 G CA 0.317 45.159 45.100 -0.430 0.000 0.884 361 G HN 0.585 nan 8.290 nan 0.000 0.537 362 A N 1.700 124.330 122.820 -0.316 0.000 2.587 362 A HA 0.808 5.107 4.320 -0.035 0.000 0.293 362 A C -0.789 176.537 177.584 -0.430 0.000 1.087 362 A CA -0.689 51.111 52.037 -0.394 0.000 0.692 362 A CB 1.406 20.184 19.000 -0.369 0.000 1.291 362 A HN 0.705 nan 8.150 nan 0.000 0.407 363 I N 0.376 120.553 120.570 -0.654 0.000 2.647 363 I HA 0.646 4.794 4.170 -0.035 0.000 0.295 363 I C -1.351 174.313 176.117 -0.755 0.000 1.078 363 I CA -0.301 60.718 61.300 -0.467 0.000 1.048 363 I CB 2.047 39.908 38.000 -0.233 0.000 1.239 363 I HN 0.620 nan 8.210 nan 0.000 0.421 364 F N 1.030 120.967 119.950 -0.021 0.000 2.650 364 F HA 0.637 5.141 4.527 -0.038 0.000 0.320 364 F C 1.021 176.845 175.800 0.039 0.000 1.091 364 F CA -0.528 57.474 58.000 0.003 0.000 0.962 364 F CB 1.732 40.728 39.000 -0.006 0.000 1.363 364 F HN 0.616 nan 8.300 nan 0.000 0.482 365 G N 0.916 109.872 108.800 0.259 0.000 2.153 365 G HA2 -0.269 3.669 3.960 -0.035 0.000 0.252 365 G HA3 -0.269 3.669 3.960 -0.035 0.000 0.252 365 G C -0.279 174.662 174.900 0.068 0.000 0.994 365 G CA -0.191 44.996 45.100 0.145 0.000 0.698 365 G HN 0.492 nan 8.290 nan 0.000 0.521 366 L N 0.959 122.218 121.223 0.060 0.000 2.439 366 L HA 0.614 4.932 4.340 -0.035 0.000 0.269 366 L C 1.174 178.056 176.870 0.020 0.000 1.179 366 L CA 0.663 55.524 54.840 0.036 0.000 0.828 366 L CB 1.037 43.120 42.059 0.040 0.000 1.106 366 L HN 0.514 nan 8.230 nan 0.000 0.467 367 T N -1.618 112.938 114.554 0.002 0.000 2.787 367 T HA 0.350 4.679 4.350 -0.035 0.000 0.297 367 T C 0.715 175.408 174.700 -0.011 0.000 1.221 367 T CA -0.987 61.109 62.100 -0.007 0.000 1.006 367 T CB 1.399 70.254 68.868 -0.021 0.000 1.328 367 T HN 0.490 nan 8.240 nan 0.000 0.509 368 R N -0.023 120.471 120.500 -0.011 0.000 2.152 368 R HA 0.032 4.351 4.340 -0.035 0.000 0.232 368 R C 2.268 178.559 176.300 -0.015 0.000 1.117 368 R CA 1.467 57.562 56.100 -0.008 0.000 0.981 368 R CB -0.704 29.592 30.300 -0.006 0.000 0.870 368 R HN 0.825 nan 8.270 nan 0.000 0.451 369 G N 0.382 109.160 108.800 -0.035 0.000 2.920 369 G HA2 -0.069 3.870 3.960 -0.035 0.000 0.208 369 G HA3 -0.069 3.870 3.960 -0.035 0.000 0.208 369 G C 0.170 175.005 174.900 -0.109 0.000 1.159 369 G CA -0.051 45.016 45.100 -0.055 0.000 0.784 369 G HN 0.131 nan 8.290 nan 0.000 0.535 370 T N 1.632 116.135 114.554 -0.085 0.000 2.851 370 T HA 0.424 4.753 4.350 -0.035 0.000 0.298 370 T C -0.020 174.734 174.700 0.090 0.000 0.977 370 T CA 0.006 62.069 62.100 -0.063 0.000 1.126 370 T CB 1.023 69.900 68.868 0.014 0.000 0.916 370 T HN 0.603 nan 8.240 nan 0.000 0.529 371 E N 1.679 122.046 120.200 0.278 0.000 2.446 371 E HA 0.438 4.767 4.350 -0.035 0.000 0.276 371 E C 0.347 177.065 176.600 0.197 0.000 0.969 371 E CA -1.168 55.359 56.400 0.212 0.000 0.800 371 E CB 1.453 31.267 29.700 0.190 0.000 1.341 371 E HN 0.232 nan 8.360 nan 0.000 0.460 372 K N 0.595 121.028 120.400 0.054 0.000 2.056 372 K HA -0.332 3.967 4.320 -0.035 0.000 0.225 372 K C 1.581 178.201 176.600 0.033 0.000 1.053 372 K CA 2.633 58.900 56.287 -0.032 0.000 0.966 372 K CB -0.360 32.053 32.500 -0.145 0.000 0.735 372 K HN 0.446 nan 8.250 nan 0.000 0.455 373 E N -0.050 120.172 120.200 0.036 0.000 2.136 373 E HA -0.224 4.105 4.350 -0.035 0.000 0.208 373 E C 1.909 178.438 176.600 -0.117 0.000 1.035 373 E CA 2.062 58.435 56.400 -0.045 0.000 0.838 373 E CB -0.401 29.189 29.700 -0.183 0.000 0.748 373 E HN 0.499 nan 8.360 nan 0.000 0.459 374 H N -1.768 117.339 119.070 0.063 0.000 2.363 374 H HA 0.005 4.539 4.556 -0.036 0.000 0.301 374 H C 1.734 177.106 175.328 0.073 0.000 1.074 374 H CA 1.270 57.348 56.048 0.049 0.000 1.354 374 H CB -0.247 29.545 29.762 0.050 0.000 1.397 374 H HN 0.165 nan 8.280 nan 0.000 0.516 375 F N 0.868 120.870 119.950 0.086 0.000 2.113 375 F HA -0.127 4.381 4.527 -0.032 0.000 0.297 375 F C 2.029 177.839 175.800 0.016 0.000 1.103 375 F CA 1.246 59.273 58.000 0.044 0.000 1.248 375 F CB -0.135 38.869 39.000 0.008 0.000 0.999 375 F HN 0.018 nan 8.300 nan 0.000 0.475 376 I N 0.120 120.852 120.570 0.270 0.000 2.202 376 I HA -0.283 3.866 4.170 -0.035 0.000 0.242 376 I C 2.632 178.766 176.117 0.028 0.000 1.091 376 I CA 1.429 62.803 61.300 0.123 0.000 1.368 376 I CB -0.658 37.319 38.000 -0.039 0.000 1.058 376 I HN 0.115 nan 8.210 nan 0.000 0.410 377 R N 1.465 121.950 120.500 -0.026 0.000 2.091 377 R HA -0.209 4.110 4.340 -0.035 0.000 0.238 377 R C 2.365 178.650 176.300 -0.025 0.000 1.136 377 R CA 1.731 57.775 56.100 -0.093 0.000 0.959 377 R CB -0.257 29.953 30.300 -0.150 0.000 0.856 377 R HN 0.365 nan 8.270 nan 0.000 0.437 378 A N 0.057 122.867 122.820 -0.016 0.000 1.908 378 A HA -0.151 4.148 4.320 -0.035 0.000 0.218 378 A C 2.171 179.774 177.584 0.032 0.000 1.181 378 A CA 2.084 54.120 52.037 -0.001 0.000 0.627 378 A CB -0.891 18.077 19.000 -0.054 0.000 0.818 378 A HN 0.485 nan 8.150 nan 0.000 0.445 379 T N 0.583 115.139 114.554 0.004 0.000 2.708 379 T HA -0.098 4.231 4.350 -0.035 0.000 0.266 379 T C 1.822 176.571 174.700 0.083 0.000 1.037 379 T CA 1.461 63.601 62.100 0.068 0.000 1.146 379 T CB -0.424 68.518 68.868 0.124 0.000 0.865 379 T HN 0.367 nan 8.240 nan 0.000 0.435 380 L N 0.738 122.003 121.223 0.070 0.000 2.079 380 L HA -0.126 4.193 4.340 -0.035 0.000 0.210 380 L C 2.690 179.538 176.870 -0.037 0.000 1.081 380 L CA 1.465 56.350 54.840 0.076 0.000 0.752 380 L CB -0.603 41.567 42.059 0.185 0.000 0.896 380 L HN 0.365 nan 8.230 nan 0.000 0.433 381 E N -0.290 119.830 120.200 -0.134 0.000 2.268 381 E HA -0.164 4.165 4.350 -0.035 0.000 0.195 381 E C 2.263 178.725 176.600 -0.229 0.000 0.995 381 E CA 1.198 57.321 56.400 -0.461 0.000 0.836 381 E CB 0.020 29.335 29.700 -0.640 0.000 0.763 381 E HN 0.558 nan 8.360 nan 0.000 0.491 382 S N 0.837 116.543 115.700 0.010 0.000 2.382 382 S HA -0.156 4.293 4.470 -0.035 0.000 0.228 382 S C 1.961 176.524 174.600 -0.062 0.000 1.027 382 S CA 0.661 58.874 58.200 0.022 0.000 0.991 382 S CB -0.299 63.009 63.200 0.180 0.000 0.823 382 S HN 0.073 nan 8.310 nan 0.000 0.469 383 L N 1.386 122.606 121.223 -0.005 0.000 2.127 383 L HA -0.072 4.247 4.340 -0.035 0.000 0.211 383 L C 2.819 179.716 176.870 0.046 0.000 1.089 383 L CA 1.208 56.085 54.840 0.062 0.000 0.757 383 L CB -1.159 40.963 42.059 0.105 0.000 0.899 383 L HN 0.477 nan 8.230 nan 0.000 0.434 384 C N -2.518 116.733 119.300 -0.081 0.000 2.500 384 C HA -0.086 4.352 4.460 -0.035 0.000 0.279 384 C C 2.609 177.502 174.990 -0.162 0.000 1.288 384 C CA -0.273 58.692 59.018 -0.089 0.000 1.710 384 C CB -0.812 26.916 27.740 -0.021 0.000 2.052 384 C HN 0.427 nan 8.230 nan 0.000 0.488 385 Y N 1.854 121.999 120.300 -0.259 0.000 2.128 385 Y HA -0.243 4.280 4.550 -0.044 0.000 0.284 385 Y C 2.702 178.346 175.900 -0.426 0.000 1.154 385 Y CA 1.670 59.421 58.100 -0.582 0.000 1.149 385 Y CB -1.086 36.346 38.460 -1.713 0.000 0.976 385 Y HN 0.455 nan 8.280 nan 0.000 0.505 386 Q N -0.875 118.810 119.800 -0.191 0.000 2.096 386 Q HA -0.184 4.134 4.340 -0.035 0.000 0.204 386 Q C 2.167 178.181 176.000 0.023 0.000 0.982 386 Q CA 2.085 57.919 55.803 0.051 0.000 0.850 386 Q CB -0.585 28.192 28.738 0.064 0.000 0.901 386 Q HN 0.447 nan 8.270 nan 0.000 0.422 387 T N 0.908 115.449 114.554 -0.020 0.000 2.684 387 T HA -0.219 4.110 4.350 -0.035 0.000 0.267 387 T C 1.735 176.422 174.700 -0.022 0.000 1.036 387 T CA 1.623 63.699 62.100 -0.041 0.000 1.148 387 T CB -0.240 68.626 68.868 -0.004 0.000 0.863 387 T HN 0.303 nan 8.240 nan 0.000 0.436 388 R N 0.851 121.345 120.500 -0.010 0.000 2.096 388 R HA -0.140 4.179 4.340 -0.035 0.000 0.235 388 R C 1.881 178.221 176.300 0.067 0.000 1.127 388 R CA 1.776 57.856 56.100 -0.033 0.000 0.968 388 R CB -0.277 29.936 30.300 -0.145 0.000 0.861 388 R HN 0.279 nan 8.270 nan 0.000 0.440 389 D N 0.665 121.183 120.400 0.197 0.000 2.106 389 D HA -0.141 4.478 4.640 -0.035 0.000 0.191 389 D C 1.239 177.568 176.300 0.047 0.000 0.997 389 D CA 1.572 55.699 54.000 0.212 0.000 0.834 389 D CB -0.654 40.293 40.800 0.244 0.000 0.956 389 D HN 0.239 nan 8.370 nan 0.000 0.448 396 K N 0.756 121.158 120.400 0.004 0.000 2.276 396 K HA 0.242 4.541 4.320 -0.035 0.000 0.198 396 K C 0.577 177.182 176.600 0.009 0.000 1.052 396 K CA 0.876 57.167 56.287 0.007 0.000 0.984 396 K CB 0.043 32.550 32.500 0.010 0.000 0.836 396 K HN 0.168 nan 8.250 nan 0.000 0.490 397 D N 0.312 120.720 120.400 0.013 0.000 2.289 397 D HA -0.059 4.560 4.640 -0.035 0.000 0.207 397 D C 1.821 178.127 176.300 0.010 0.000 0.966 397 D CA 0.976 54.985 54.000 0.015 0.000 0.868 397 D CB 0.325 41.139 40.800 0.024 0.000 0.943 397 D HN 0.140 nan 8.370 nan 0.000 0.514 398 S N -1.552 114.153 115.700 0.007 0.000 2.460 398 S HA 0.291 4.740 4.470 -0.035 0.000 0.226 398 S C 1.927 176.527 174.600 -0.001 0.000 1.057 398 S CA 0.869 59.071 58.200 0.003 0.000 0.948 398 S CB 0.708 63.910 63.200 0.003 0.000 0.822 398 S HN 0.235 nan 8.310 nan 0.000 0.512 399 G N 1.477 110.276 108.800 -0.001 0.000 2.268 399 G HA2 -0.214 3.725 3.960 -0.035 0.000 0.240 399 G HA3 -0.214 3.725 3.960 -0.035 0.000 0.240 399 G C 0.136 175.032 174.900 -0.007 0.000 1.010 399 G CA 0.113 45.210 45.100 -0.004 0.000 0.618 399 G HN 0.568 nan 8.290 nan 0.000 0.516 400 I N 1.429 121.994 120.570 -0.008 0.000 2.696 400 I HA 0.350 4.499 4.170 -0.035 0.000 0.284 400 I C -0.143 175.965 176.117 -0.015 0.000 1.129 400 I CA -0.030 61.263 61.300 -0.012 0.000 1.410 400 I CB 0.969 38.961 38.000 -0.013 0.000 1.399 400 I HN 0.076 nan 8.210 nan 0.000 0.579 401 D N 5.083 125.472 120.400 -0.018 0.000 2.446 401 D HA 0.259 4.878 4.640 -0.035 0.000 0.251 401 D C -0.636 175.648 176.300 -0.026 0.000 1.137 401 D CA -0.391 53.596 54.000 -0.022 0.000 0.890 401 D CB 1.112 41.900 40.800 -0.021 0.000 1.071 401 D HN 0.049 nan 8.370 nan 0.000 0.528 402 V N 4.428 124.325 119.914 -0.028 0.000 2.673 402 V HA 0.061 4.160 4.120 -0.035 0.000 0.303 402 V C 1.085 177.160 176.094 -0.032 0.000 1.046 402 V CA 0.645 62.926 62.300 -0.031 0.000 1.126 402 V CB 1.026 32.830 31.823 -0.032 0.000 0.934 402 V HN 0.642 nan 8.190 nan 0.000 0.487 403 Q N 2.363 122.145 119.800 -0.030 0.000 2.063 403 Q HA 0.376 4.695 4.340 -0.035 0.000 0.245 403 Q C -0.272 175.716 176.000 -0.020 0.000 0.828 403 Q CA -0.059 55.728 55.803 -0.027 0.000 1.089 403 Q CB 1.015 29.738 28.738 -0.025 0.000 1.232 403 Q HN 0.721 nan 8.270 nan 0.000 0.445 404 S N -0.205 115.483 115.700 -0.019 0.000 2.514 404 S HA 0.187 4.636 4.470 -0.035 0.000 0.183 404 S C -1.174 173.421 174.600 -0.009 0.000 0.656 404 S CA -0.866 57.331 58.200 -0.005 0.000 0.872 404 S CB -0.104 63.092 63.200 -0.008 0.000 1.436 404 S HN 0.304 nan 8.310 nan 0.000 0.427 405 L N 3.050 124.278 121.223 0.009 0.000 2.331 405 L HA 0.596 4.915 4.340 -0.035 0.000 0.278 405 L C 0.380 177.279 176.870 0.049 0.000 1.106 405 L CA 0.084 54.932 54.840 0.013 0.000 0.824 405 L CB 0.616 42.687 42.059 0.020 0.000 1.142 405 L HN 0.701 nan 8.230 nan 0.000 0.443 406 R N 4.055 124.570 120.500 0.025 0.000 2.357 406 R HA 0.609 4.928 4.340 -0.035 0.000 0.296 406 R C -0.821 175.554 176.300 0.125 0.000 1.052 406 R CA -0.484 55.665 56.100 0.082 0.000 0.988 406 R CB 1.264 31.552 30.300 -0.020 0.000 1.025 406 R HN 0.654 nan 8.270 nan 0.000 0.469 407 V N -1.025 119.008 119.914 0.198 0.000 3.074 407 V HA 0.745 4.844 4.120 -0.035 0.000 0.314 407 V C -0.905 175.327 176.094 0.229 0.000 1.117 407 V CA -0.933 61.501 62.300 0.225 0.000 1.014 407 V CB 2.250 34.242 31.823 0.280 0.000 1.057 407 V HN 0.959 nan 8.190 nan 0.000 0.438 408 D N -0.978 119.568 120.400 0.244 0.000 2.738 408 D HA 0.775 5.394 4.640 -0.035 0.000 0.308 408 D C -0.117 176.327 176.300 0.240 0.000 1.311 408 D CA 0.214 54.340 54.000 0.211 0.000 0.799 408 D CB 0.957 41.864 40.800 0.179 0.000 1.332 408 D HN 2.040 nan 8.370 nan 0.000 0.441 409 G N -2.069 106.850 108.800 0.198 0.000 2.408 409 G HA2 0.430 4.368 3.960 -0.035 0.000 0.682 409 G HA3 0.430 4.368 3.960 -0.035 0.000 0.682 409 G C 0.629 175.634 174.900 0.174 0.000 1.303 409 G CA 0.144 45.368 45.100 0.206 0.000 0.966 409 G HN 1.247 nan 8.290 nan 0.000 0.560 410 G N -0.500 108.403 108.800 0.172 0.000 2.422 410 G HA2 0.355 4.294 3.960 -0.035 0.000 0.218 410 G HA3 0.355 4.294 3.960 -0.035 0.000 0.218 410 G C 1.736 176.703 174.900 0.112 0.000 1.140 410 G CA 2.263 47.444 45.100 0.136 0.000 0.775 410 G HN 1.915 nan 8.290 nan 0.000 0.545 411 A N 0.442 123.337 122.820 0.125 0.000 2.275 411 A HA 0.359 4.658 4.320 -0.035 0.000 0.212 411 A C 2.268 179.821 177.584 -0.051 0.000 1.201 411 A CA 0.960 53.030 52.037 0.054 0.000 0.843 411 A CB -0.178 18.867 19.000 0.075 0.000 0.873 411 A HN 0.725 nan 8.150 nan 0.000 0.492 412 V N -1.387 118.519 119.914 -0.014 0.000 3.380 412 V HA -0.086 4.013 4.120 -0.035 0.000 0.268 412 V C 1.603 177.669 176.094 -0.046 0.000 1.168 412 V CA 1.695 63.944 62.300 -0.085 0.000 1.156 412 V CB -0.967 30.878 31.823 0.037 0.000 0.785 412 V HN 0.674 nan 8.190 nan 0.000 0.487 413 K N 0.875 121.276 120.400 0.003 0.000 2.444 413 K HA 0.076 4.375 4.320 -0.035 0.000 0.193 413 K C 0.729 177.342 176.600 0.021 0.000 1.024 413 K CA 0.219 56.524 56.287 0.030 0.000 1.077 413 K CB -0.238 32.290 32.500 0.046 0.000 0.833 413 K HN 0.443 nan 8.250 nan 0.000 0.517 414 N N 2.042 120.730 118.700 -0.020 0.000 2.469 414 N HA 0.056 4.775 4.740 -0.035 0.000 0.239 414 N C -0.281 175.203 175.510 -0.043 0.000 1.053 414 N CA -0.151 52.898 53.050 -0.002 0.000 0.937 414 N CB 0.822 39.311 38.487 0.004 0.000 1.163 414 N HN 0.054 nan 8.380 nan 0.000 0.509 415 N N 2.495 121.214 118.700 0.032 0.000 2.104 415 N HA -0.177 4.542 4.740 -0.035 0.000 0.190 415 N C 1.247 176.745 175.510 -0.019 0.000 1.024 415 N CA 0.982 54.056 53.050 0.039 0.000 0.853 415 N CB -0.491 38.126 38.487 0.216 0.000 1.008 415 N HN 0.611 nan 8.380 nan 0.000 0.424 416 F N 1.676 121.593 119.950 -0.054 0.000 2.091 416 F HA -0.062 4.445 4.527 -0.032 0.000 0.299 416 F C 1.013 176.753 175.800 -0.100 0.000 1.103 416 F CA 0.816 58.787 58.000 -0.047 0.000 1.228 416 F CB -0.348 38.627 39.000 -0.041 0.000 0.984 416 F HN -0.112 nan 8.300 nan 0.000 0.477 420 F N 1.819 121.471 119.950 -0.498 0.000 2.186 420 F HA -0.050 4.452 4.527 -0.042 0.000 0.299 420 F C 2.087 177.657 175.800 -0.384 0.000 1.090 420 F CA 2.219 59.917 58.000 -0.502 0.000 1.307 420 F CB 0.196 38.700 39.000 -0.826 0.000 1.019 420 F HN 0.268 nan 8.300 nan 0.000 0.489 421 Q N 0.902 120.562 119.800 -0.233 0.000 2.050 421 Q HA -0.144 4.175 4.340 -0.035 0.000 0.202 421 Q C 2.262 178.122 176.000 -0.234 0.000 0.980 421 Q CA 2.215 57.887 55.803 -0.219 0.000 0.840 421 Q CB -0.813 27.817 28.738 -0.179 0.000 0.898 421 Q HN 0.433 nan 8.270 nan 0.000 0.424 422 A N 0.489 123.194 122.820 -0.191 0.000 1.883 422 A HA -0.228 4.071 4.320 -0.035 0.000 0.217 422 A C 1.844 179.323 177.584 -0.175 0.000 1.186 422 A CA 1.929 53.894 52.037 -0.120 0.000 0.624 422 A CB -0.876 18.112 19.000 -0.020 0.000 0.822 422 A HN 0.487 nan 8.150 nan 0.000 0.444 423 D N -0.420 119.828 120.400 -0.254 0.000 2.078 423 D HA -0.128 4.491 4.640 -0.035 0.000 0.193 423 D C 1.750 177.820 176.300 -0.384 0.000 0.990 423 D CA 1.354 55.173 54.000 -0.301 0.000 0.827 423 D CB -0.572 40.010 40.800 -0.364 0.000 0.975 423 D HN 0.343 nan 8.370 nan 0.000 0.451 424 I N 0.363 120.562 120.570 -0.620 0.000 2.423 424 I HA -0.187 3.962 4.170 -0.035 0.000 0.254 424 I C 1.861 177.772 176.117 -0.344 0.000 1.151 424 I CA 0.992 61.958 61.300 -0.557 0.000 1.421 424 I CB 0.200 37.747 38.000 -0.755 0.000 1.079 424 I HN -0.163 nan 8.210 nan 0.000 0.431 425 V N 0.145 119.890 119.914 -0.283 0.000 3.565 425 V HA 0.146 4.245 4.120 -0.035 0.000 0.260 425 V C 0.887 176.884 176.094 -0.161 0.000 1.231 425 V CA 0.717 62.888 62.300 -0.215 0.000 1.100 425 V CB -0.600 31.125 31.823 -0.164 0.000 0.807 425 V HN 0.663 nan 8.190 nan 0.000 0.454 426 N N 1.097 119.707 118.700 -0.150 0.000 2.780 426 N HA -0.156 4.563 4.740 -0.035 0.000 0.247 426 N C -0.397 175.067 175.510 -0.076 0.000 1.076 426 N CA 1.107 54.095 53.050 -0.104 0.000 0.688 426 N CB -1.171 37.260 38.487 -0.094 0.000 0.957 426 N HN 0.509 nan 8.380 nan 0.000 0.551 427 T N -0.060 114.453 114.554 -0.069 0.000 2.923 427 T HA 0.453 4.782 4.350 -0.035 0.000 0.311 427 T C -0.363 174.327 174.700 -0.016 0.000 1.183 427 T CA -0.366 61.709 62.100 -0.042 0.000 1.020 427 T CB 1.495 70.337 68.868 -0.044 0.000 1.165 427 T HN 0.091 nan 8.240 nan 0.000 0.482 428 S N 1.230 116.934 115.700 0.007 0.000 2.576 428 S HA 0.475 4.924 4.470 -0.035 0.000 0.276 428 S C -0.151 174.490 174.600 0.069 0.000 1.339 428 S CA -0.637 57.590 58.200 0.045 0.000 1.039 428 S CB 0.562 63.787 63.200 0.042 0.000 0.902 428 S HN 0.484 nan 8.310 nan 0.000 0.516 429 V N 3.164 123.161 119.914 0.138 0.000 2.407 429 V HA 0.323 4.422 4.120 -0.035 0.000 0.291 429 V C -0.249 176.005 176.094 0.268 0.000 1.018 429 V CA -0.626 61.771 62.300 0.161 0.000 0.842 429 V CB 1.505 33.383 31.823 0.091 0.000 0.996 429 V HN 0.829 nan 8.190 nan 0.000 0.426 430 E N 4.261 124.599 120.200 0.230 0.000 2.109 430 E HA 0.450 4.779 4.350 -0.035 0.000 0.278 430 E C -0.422 176.379 176.600 0.336 0.000 0.954 430 E CA -0.634 55.942 56.400 0.293 0.000 0.779 430 E CB 2.214 32.100 29.700 0.309 0.000 1.093 430 E HN 0.485 nan 8.360 nan 0.000 0.401 431 R N 4.419 125.101 120.500 0.304 0.000 2.294 431 R HA 0.326 4.645 4.340 -0.035 0.000 0.319 431 R C -2.536 173.815 176.300 0.086 0.000 0.984 431 R CA -1.864 54.375 56.100 0.232 0.000 0.861 431 R CB 0.834 31.292 30.300 0.263 0.000 1.104 431 R HN 0.230 nan 8.270 nan 0.000 0.451 432 P HA 0.090 nan 4.420 nan 0.000 0.276 432 P C -0.348 176.809 177.300 -0.239 0.000 1.252 432 P CA -0.312 62.602 63.100 -0.310 0.000 0.802 432 P CB 0.973 32.587 31.700 -0.142 0.000 1.035 433 E N 0.968 120.956 120.200 -0.354 0.000 2.028 433 E HA -0.020 4.309 4.350 -0.035 0.000 0.190 433 E C 0.316 176.862 176.600 -0.089 0.000 0.984 433 E CA 1.119 57.405 56.400 -0.190 0.000 0.800 433 E CB -0.389 29.189 29.700 -0.204 0.000 0.758 433 E HN 0.345 nan 8.360 nan 0.000 0.448 434 I N 2.178 122.700 120.570 -0.080 0.000 2.291 434 I HA 0.078 4.227 4.170 -0.035 0.000 0.292 434 I C 0.483 176.632 176.117 0.053 0.000 1.064 434 I CA 0.125 61.443 61.300 0.029 0.000 1.269 434 I CB 1.024 39.085 38.000 0.102 0.000 1.418 434 I HN 0.168 nan 8.210 nan 0.000 0.485 435 Q N 3.120 122.965 119.800 0.074 0.000 2.360 435 Q HA -0.007 4.312 4.340 -0.035 0.000 0.202 435 Q C 0.333 176.413 176.000 0.134 0.000 0.915 435 Q CA 0.270 56.135 55.803 0.102 0.000 0.943 435 Q CB 0.299 29.093 28.738 0.093 0.000 1.064 435 Q HN 0.398 nan 8.270 nan 0.000 0.511 436 E N 1.000 121.291 120.200 0.151 0.000 2.280 436 E HA 0.009 4.338 4.350 -0.035 0.000 0.279 436 E C 0.733 177.456 176.600 0.206 0.000 1.325 436 E CA -0.046 56.462 56.400 0.179 0.000 1.486 436 E CB -0.178 29.636 29.700 0.189 0.000 1.466 436 E HN 0.289 nan 8.360 nan 0.000 0.473 437 T N -2.537 112.116 114.554 0.166 0.000 2.821 437 T HA -0.138 4.191 4.350 -0.035 0.000 0.267 437 T C 1.750 176.524 174.700 0.123 0.000 1.046 437 T CA 1.517 63.699 62.100 0.137 0.000 1.139 437 T CB -0.280 68.662 68.868 0.123 0.000 0.871 437 T HN 0.171 nan 8.240 nan 0.000 0.454 438 T N 2.345 116.979 114.554 0.133 0.000 2.635 438 T HA -0.063 4.266 4.350 -0.035 0.000 0.267 438 T C 2.441 177.222 174.700 0.136 0.000 1.040 438 T CA 1.712 63.885 62.100 0.121 0.000 1.156 438 T CB -0.962 67.978 68.868 0.120 0.000 0.863 438 T HN 0.635 nan 8.240 nan 0.000 0.430 439 A N 1.092 124.026 122.820 0.189 0.000 1.877 439 A HA -0.010 4.289 4.320 -0.035 0.000 0.216 439 A C 2.322 180.004 177.584 0.163 0.000 1.186 439 A CA 1.542 53.731 52.037 0.254 0.000 0.620 439 A CB -0.941 18.290 19.000 0.386 0.000 0.822 439 A HN 0.528 nan 8.150 nan 0.000 0.443 440 L N -0.527 120.744 121.223 0.079 0.000 2.042 440 L HA -0.122 4.196 4.340 -0.035 0.000 0.210 440 L C 2.438 179.257 176.870 -0.085 0.000 1.076 440 L CA 1.863 56.535 54.840 -0.281 0.000 0.749 440 L CB -0.666 41.328 42.059 -0.107 0.000 0.893 440 L HN 0.399 nan 8.230 nan 0.000 0.432 441 G N -0.891 107.934 108.800 0.043 0.000 2.433 441 G HA2 -0.289 3.650 3.960 -0.035 0.000 0.216 441 G HA3 -0.289 3.650 3.960 -0.035 0.000 0.216 441 G C 1.629 176.602 174.900 0.121 0.000 1.186 441 G CA 0.753 45.949 45.100 0.160 0.000 0.779 441 G HN 0.590 nan 8.290 nan 0.000 0.543 442 A N 1.205 124.070 122.820 0.074 0.000 1.902 442 A HA 0.223 4.522 4.320 -0.035 0.000 0.217 442 A C 2.832 180.476 177.584 0.100 0.000 1.181 442 A CA 2.356 54.427 52.037 0.057 0.000 0.623 442 A CB -0.852 18.195 19.000 0.079 0.000 0.818 442 A HN 0.848 nan 8.150 nan 0.000 0.443 443 A N -1.175 121.718 122.820 0.121 0.000 1.883 443 A HA -0.101 4.198 4.320 -0.035 0.000 0.217 443 A C 2.034 179.798 177.584 0.300 0.000 1.186 443 A CA 1.609 53.746 52.037 0.167 0.000 0.624 443 A CB -0.804 18.201 19.000 0.007 0.000 0.822 443 A HN 0.511 nan 8.150 nan 0.000 0.444 444 F N -0.107 119.898 119.950 0.092 0.000 2.186 444 F HA -0.104 4.403 4.527 -0.033 0.000 0.299 444 F C 2.148 178.055 175.800 0.178 0.000 1.090 444 F CA 1.152 59.262 58.000 0.184 0.000 1.307 444 F CB -0.209 38.841 39.000 0.084 0.000 1.019 444 F HN 0.111 nan 8.300 nan 0.000 0.489 445 L N -0.626 120.679 121.223 0.136 0.000 2.042 445 L HA -0.283 4.036 4.340 -0.035 0.000 0.210 445 L C 2.686 179.582 176.870 0.044 0.000 1.076 445 L CA 1.251 56.062 54.840 -0.048 0.000 0.749 445 L CB -1.022 40.930 42.059 -0.179 0.000 0.893 445 L HN 0.166 nan 8.230 nan 0.000 0.432 446 A N 0.218 123.085 122.820 0.078 0.000 1.840 446 A HA -0.065 4.234 4.320 -0.035 0.000 0.214 446 A C 2.430 180.042 177.584 0.048 0.000 1.198 446 A CA 1.464 53.526 52.037 0.041 0.000 0.608 446 A CB -1.408 17.610 19.000 0.030 0.000 0.839 446 A HN 0.403 nan 8.150 nan 0.000 0.443 447 G N 0.020 108.894 108.800 0.122 0.000 2.513 447 G HA2 -0.267 3.672 3.960 -0.035 0.000 0.219 447 G HA3 -0.267 3.672 3.960 -0.035 0.000 0.219 447 G C 1.562 176.568 174.900 0.178 0.000 1.160 447 G CA 1.295 46.448 45.100 0.089 0.000 0.767 447 G HN 0.425 nan 8.290 nan 0.000 0.571 448 L N 0.475 121.857 121.223 0.265 0.000 2.093 448 L HA -0.006 4.313 4.340 -0.035 0.000 0.208 448 L C 3.417 180.341 176.870 0.091 0.000 1.085 448 L CA 0.885 55.847 54.840 0.204 0.000 0.755 448 L CB -0.430 41.770 42.059 0.235 0.000 0.904 448 L HN 0.317 nan 8.230 nan 0.000 0.435 449 A N 0.064 122.913 122.820 0.047 0.000 1.972 449 A HA -0.142 4.157 4.320 -0.035 0.000 0.219 449 A C 2.034 179.600 177.584 -0.030 0.000 1.169 449 A CA 1.926 53.952 52.037 -0.018 0.000 0.635 449 A CB -0.636 18.320 19.000 -0.074 0.000 0.810 449 A HN 0.360 nan 8.150 nan 0.000 0.446 450 V N -4.462 115.438 119.914 -0.023 0.000 3.621 450 V HA 0.560 4.659 4.120 -0.035 0.000 0.285 450 V C 1.221 177.307 176.094 -0.014 0.000 1.346 450 V CA 0.564 62.844 62.300 -0.034 0.000 1.104 450 V CB -0.726 31.062 31.823 -0.057 0.000 0.913 450 V HN 1.496 nan 8.190 nan 0.000 0.432 451 G N 0.242 109.046 108.800 0.007 0.000 2.137 451 G HA2 -0.350 3.588 3.960 -0.035 0.000 0.237 451 G HA3 -0.350 3.588 3.960 -0.035 0.000 0.237 451 G C 0.256 175.132 174.900 -0.041 0.000 1.002 451 G CA 0.499 45.598 45.100 -0.002 0.000 0.702 451 G HN 0.615 nan 8.290 nan 0.000 0.515 452 F N 0.038 119.823 119.950 -0.274 0.000 2.259 452 F HA 0.359 4.865 4.527 -0.036 0.000 0.298 452 F C 1.019 176.421 175.800 -0.663 0.000 1.088 452 F CA 0.846 58.509 58.000 -0.561 0.000 1.358 452 F CB 0.167 38.647 39.000 -0.866 0.000 1.040 452 F HN 0.259 nan 8.300 nan 0.000 0.505 453 W N 0.743 121.999 121.300 -0.073 0.000 2.915 453 W HA 0.268 4.909 4.660 -0.033 0.000 0.337 453 W C 0.858 177.347 176.519 -0.050 0.000 1.102 453 W CA -0.753 56.514 57.345 -0.130 0.000 1.224 453 W CB 1.061 30.409 29.460 -0.186 0.000 1.416 453 W HN -0.135 nan 8.180 nan 0.000 0.503 454 E N 1.123 121.435 120.200 0.186 0.000 2.112 454 E HA -0.065 4.264 4.350 -0.035 0.000 0.190 454 E C 0.825 177.495 176.600 0.117 0.000 0.979 454 E CA 0.998 57.464 56.400 0.109 0.000 0.814 454 E CB 0.553 30.292 29.700 0.064 0.000 0.762 454 E HN 0.243 nan 8.360 nan 0.000 0.460 455 S N -0.503 115.282 115.700 0.142 0.000 2.588 455 S HA 0.208 4.657 4.470 -0.035 0.000 0.275 455 S C 0.400 175.066 174.600 0.109 0.000 1.130 455 S CA -0.924 57.328 58.200 0.087 0.000 0.855 455 S CB 1.976 65.192 63.200 0.027 0.000 1.116 455 S HN 0.124 nan 8.310 nan 0.000 0.472 456 K N 0.446 120.839 120.400 -0.012 0.000 2.365 456 K HA -0.032 4.266 4.320 -0.035 0.000 0.199 456 K C 0.186 176.642 176.600 -0.241 0.000 1.045 456 K CA 1.249 57.449 56.287 -0.146 0.000 0.962 456 K CB -0.487 31.668 32.500 -0.576 0.000 0.759 456 K HN 0.503 nan 8.250 nan 0.000 0.469 457 D N 2.222 122.524 120.400 -0.164 0.000 2.265 457 D HA -0.140 4.479 4.640 -0.035 0.000 0.208 457 D C 1.084 177.362 176.300 -0.037 0.000 0.977 457 D CA 0.918 54.867 54.000 -0.085 0.000 0.871 457 D CB -0.204 40.566 40.800 -0.049 0.000 0.925 457 D HN 0.275 nan 8.370 nan 0.000 0.485 458 D N 0.225 120.624 120.400 -0.002 0.000 2.221 458 D HA -0.131 4.487 4.640 -0.035 0.000 0.204 458 D C 2.078 178.332 176.300 -0.078 0.000 0.982 458 D CA 0.247 54.261 54.000 0.025 0.000 0.857 458 D CB -0.116 40.747 40.800 0.106 0.000 0.934 458 D HN 0.314 nan 8.370 nan 0.000 0.475 459 I N 0.291 120.689 120.570 -0.287 0.000 2.286 459 I HA -0.217 3.932 4.170 -0.035 0.000 0.245 459 I C 2.060 178.091 176.117 -0.144 0.000 1.104 459 I CA 0.919 61.952 61.300 -0.445 0.000 1.397 459 I CB 0.081 37.638 38.000 -0.738 0.000 1.072 459 I HN -0.082 nan 8.210 nan 0.000 0.417 460 A N 0.653 123.437 122.820 -0.062 0.000 1.930 460 A HA -0.208 4.091 4.320 -0.035 0.000 0.217 460 A C 2.259 179.864 177.584 0.035 0.000 1.175 460 A CA 1.548 53.574 52.037 -0.019 0.000 0.627 460 A CB -0.406 18.606 19.000 0.019 0.000 0.815 460 A HN 0.413 nan 8.150 nan 0.000 0.443 461 K N -0.580 119.839 120.400 0.033 0.000 2.167 461 K HA -0.020 4.279 4.320 -0.035 0.000 0.203 461 K C 1.182 177.833 176.600 0.085 0.000 1.052 461 K CA 1.075 57.397 56.287 0.058 0.000 0.956 461 K CB -0.095 32.431 32.500 0.043 0.000 0.735 461 K HN 0.329 nan 8.250 nan 0.000 0.451 462 N N 0.051 118.796 118.700 0.076 0.000 2.416 462 N HA -0.078 4.641 4.740 -0.035 0.000 0.177 462 N C -0.100 175.474 175.510 0.106 0.000 1.036 462 N CA 0.201 53.300 53.050 0.082 0.000 0.901 462 N CB -0.092 38.438 38.487 0.071 0.000 0.976 462 N HN 0.191 nan 8.380 nan 0.000 0.444 463 W N 2.938 124.211 121.300 -0.045 0.000 2.385 463 W HA -0.019 4.620 4.660 -0.036 0.000 0.336 463 W C 0.456 176.967 176.519 -0.013 0.000 1.351 463 W CA 0.359 57.680 57.345 -0.039 0.000 1.295 463 W CB 0.335 29.754 29.460 -0.068 0.000 1.239 463 W HN -0.237 nan 8.180 nan 0.000 0.565 464 K N 7.895 127.929 120.400 -0.610 0.000 2.463 464 K HA 0.296 4.595 4.320 -0.035 0.000 0.255 464 K C -1.128 174.867 176.600 -1.009 0.000 0.942 464 K CA -0.916 55.044 56.287 -0.544 0.000 0.814 464 K CB 0.964 33.303 32.500 -0.269 0.000 1.122 464 K HN 0.661 nan 8.250 nan 0.000 0.425 465 L N 4.834 125.546 121.223 -0.852 0.000 2.433 465 L HA 0.082 4.401 4.340 -0.035 0.000 0.275 465 L C 1.198 177.884 176.870 -0.306 0.000 1.128 465 L CA 0.138 54.601 54.840 -0.629 0.000 0.875 465 L CB 0.727 42.739 42.059 -0.078 0.000 1.171 465 L HN 0.853 nan 8.230 nan 0.000 0.463 466 E N 4.277 124.324 120.200 -0.254 0.000 2.122 466 E HA -0.037 4.292 4.350 -0.035 0.000 0.190 466 E C -0.214 176.333 176.600 -0.089 0.000 0.977 466 E CA 0.712 57.031 56.400 -0.136 0.000 0.820 466 E CB 0.479 30.123 29.700 -0.093 0.000 0.770 466 E HN 0.804 nan 8.360 nan 0.000 0.462 467 E N -0.252 119.911 120.200 -0.062 0.000 2.537 467 E HA 0.146 4.475 4.350 -0.035 0.000 0.301 467 E C -1.520 175.006 176.600 -0.123 0.000 0.990 467 E CA -0.459 55.855 56.400 -0.143 0.000 0.828 467 E CB 1.157 30.711 29.700 -0.243 0.000 1.243 467 E HN -0.087 nan 8.360 nan 0.000 0.414 468 K N 3.681 123.965 120.400 -0.194 0.000 2.110 468 K HA 0.489 4.788 4.320 -0.035 0.000 0.263 468 K C -1.396 175.016 176.600 -0.314 0.000 0.975 468 K CA -0.481 55.760 56.287 -0.078 0.000 0.895 468 K CB 0.641 33.133 32.500 -0.013 0.000 1.060 468 K HN 0.307 nan 8.250 nan 0.000 0.448 469 F N 2.090 122.044 119.950 0.007 0.000 2.493 469 F HA 0.288 4.797 4.527 -0.031 0.000 0.329 469 F C -0.226 175.561 175.800 -0.022 0.000 1.126 469 F CA -0.828 57.164 58.000 -0.013 0.000 0.937 469 F CB 1.720 40.704 39.000 -0.027 0.000 1.146 469 F HN 0.397 nan 8.300 nan 0.000 0.442 470 D N 4.151 124.612 120.400 0.102 0.000 2.185 470 D HA 0.335 4.954 4.640 -0.035 0.000 0.247 470 D C -2.596 173.722 176.300 0.030 0.000 1.027 470 D CA -1.669 52.358 54.000 0.046 0.000 0.861 470 D CB 1.781 42.587 40.800 0.011 0.000 1.202 470 D HN 0.097 nan 8.370 nan 0.000 0.453 471 P HA 0.122 nan 4.420 nan 0.000 0.265 471 P C -0.465 176.818 177.300 -0.028 0.000 1.193 471 P CA 0.216 63.293 63.100 -0.038 0.000 0.765 471 P CB 0.799 32.467 31.700 -0.054 0.000 0.823 475 E N 1.045 121.242 120.200 -0.005 0.000 2.086 475 E HA -0.158 4.171 4.350 -0.035 0.000 0.200 475 E C 1.957 178.570 176.600 0.022 0.000 1.012 475 E CA 1.996 58.397 56.400 0.002 0.000 0.812 475 E CB -0.773 28.929 29.700 0.004 0.000 0.743 475 E HN 0.710 nan 8.360 nan 0.000 0.453 476 G N 1.471 110.286 108.800 0.025 0.000 2.766 476 G HA2 -0.411 3.528 3.960 -0.035 0.000 0.222 476 G HA3 -0.411 3.528 3.960 -0.035 0.000 0.222 476 G C 1.510 176.442 174.900 0.054 0.000 1.225 476 G CA 1.438 46.561 45.100 0.038 0.000 0.784 476 G HN 0.416 nan 8.290 nan 0.000 0.631 477 E N -0.203 120.029 120.200 0.052 0.000 2.106 477 E HA -0.102 4.227 4.350 -0.035 0.000 0.192 477 E C 2.551 179.204 176.600 0.089 0.000 0.984 477 E CA 0.581 57.026 56.400 0.075 0.000 0.806 477 E CB -0.130 29.610 29.700 0.067 0.000 0.750 477 E HN 0.429 nan 8.360 nan 0.000 0.458 478 R N 0.462 120.991 120.500 0.047 0.000 2.082 478 R HA -0.172 4.146 4.340 -0.035 0.000 0.234 478 R C 1.997 178.367 176.300 0.117 0.000 1.136 478 R CA 1.780 57.901 56.100 0.034 0.000 0.935 478 R CB -0.074 30.208 30.300 -0.030 0.000 0.842 478 R HN 0.142 nan 8.270 nan 0.000 0.430 479 E N 0.470 120.733 120.200 0.105 0.000 2.204 479 E HA -0.176 4.153 4.350 -0.035 0.000 0.194 479 E C 1.765 178.474 176.600 0.183 0.000 0.989 479 E CA 0.815 57.304 56.400 0.150 0.000 0.824 479 E CB -0.076 29.683 29.700 0.099 0.000 0.756 479 E HN 0.370 nan 8.360 nan 0.000 0.477 480 K N 0.965 121.461 120.400 0.159 0.000 2.001 480 K HA -0.080 4.219 4.320 -0.035 0.000 0.208 480 K C 2.306 179.049 176.600 0.238 0.000 1.048 480 K CA 0.785 57.170 56.287 0.163 0.000 0.932 480 K CB -0.114 32.468 32.500 0.138 0.000 0.715 480 K HN 0.024 nan 8.250 nan 0.000 0.437 481 L N -0.007 121.402 121.223 0.310 0.000 2.012 481 L HA -0.235 4.084 4.340 -0.035 0.000 0.210 481 L C 2.619 179.790 176.870 0.501 0.000 1.073 481 L CA 1.571 56.701 54.840 0.483 0.000 0.748 481 L CB -0.683 41.709 42.059 0.554 0.000 0.891 481 L HN 0.297 nan 8.230 nan 0.000 0.431 482 Y N 0.664 121.150 120.300 0.309 0.000 2.200 482 Y HA -0.224 4.297 4.550 -0.049 0.000 0.290 482 Y C 2.890 178.862 175.900 0.120 0.000 1.137 482 Y CA 1.425 59.670 58.100 0.242 0.000 1.163 482 Y CB -0.302 38.286 38.460 0.212 0.000 0.988 482 Y HN 0.005 nan 8.280 nan 0.000 0.518 483 R N -0.234 120.350 120.500 0.139 0.000 2.103 483 R HA -0.178 4.141 4.340 -0.035 0.000 0.242 483 R C 2.358 178.570 176.300 -0.148 0.000 1.142 483 R CA 1.709 57.805 56.100 -0.006 0.000 0.960 483 R CB -0.924 29.409 30.300 0.055 0.000 0.858 483 R HN 0.512 nan 8.270 nan 0.000 0.439 484 G N 0.429 109.164 108.800 -0.107 0.000 2.408 484 G HA2 -0.285 3.654 3.960 -0.035 0.000 0.217 484 G HA3 -0.285 3.654 3.960 -0.035 0.000 0.217 484 G C 1.316 175.668 174.900 -0.914 0.000 1.150 484 G CA 0.449 45.366 45.100 -0.305 0.000 0.776 484 G HN 0.586 nan 8.290 nan 0.000 0.542 485 W N 1.723 122.317 121.300 -1.175 0.000 2.335 485 W HA -0.117 4.511 4.660 -0.053 0.000 0.311 485 W C 2.014 178.039 176.519 -0.824 0.000 1.213 485 W CA 1.569 58.150 57.345 -1.273 0.000 1.274 485 W CB -0.060 28.719 29.460 -1.135 0.000 1.148 485 W HN 0.063 nan 8.180 nan 0.000 0.498 486 K N 0.917 120.877 120.400 -0.734 0.000 2.032 486 K HA -0.201 4.098 4.320 -0.035 0.000 0.209 486 K C 1.901 178.125 176.600 -0.625 0.000 1.048 486 K CA 1.900 57.807 56.287 -0.634 0.000 0.927 486 K CB -0.691 31.574 32.500 -0.391 0.000 0.712 486 K HN 0.261 nan 8.250 nan 0.000 0.441 487 K N 0.426 120.489 120.400 -0.562 0.000 2.057 487 K HA -0.084 4.214 4.320 -0.035 0.000 0.207 487 K C 2.185 178.351 176.600 -0.724 0.000 1.049 487 K CA 1.295 57.272 56.287 -0.518 0.000 0.931 487 K CB -0.204 32.056 32.500 -0.401 0.000 0.714 487 K HN 0.144 nan 8.250 nan 0.000 0.440 488 A N 0.830 123.098 122.820 -0.920 0.000 1.940 488 A HA -0.135 4.164 4.320 -0.035 0.000 0.219 488 A C 2.324 179.317 177.584 -0.985 0.000 1.176 488 A CA 1.512 52.880 52.037 -1.116 0.000 0.631 488 A CB -0.606 17.846 19.000 -0.914 0.000 0.814 488 A HN 0.084 nan 8.150 nan 0.000 0.446 489 V N -0.088 119.207 119.914 -1.032 0.000 2.379 489 V HA -0.237 3.862 4.120 -0.035 0.000 0.245 489 V C 2.357 178.063 176.094 -0.646 0.000 1.044 489 V CA 2.112 63.855 62.300 -0.929 0.000 1.036 489 V CB -0.865 30.260 31.823 -1.165 0.000 0.664 489 V HN 0.624 nan 8.190 nan 0.000 0.453 490 E N 0.684 120.553 120.200 -0.551 0.000 2.038 490 E HA -0.228 4.101 4.350 -0.035 0.000 0.195 490 E C 2.381 178.798 176.600 -0.306 0.000 1.000 490 E CA 1.418 57.602 56.400 -0.361 0.000 0.803 490 E CB -0.420 29.103 29.700 -0.295 0.000 0.750 490 E HN 0.565 nan 8.360 nan 0.000 0.448 491 A N 0.962 123.536 122.820 -0.410 0.000 1.948 491 A HA -0.241 4.058 4.320 -0.035 0.000 0.220 491 A C 2.384 179.932 177.584 -0.060 0.000 1.177 491 A CA 2.175 54.026 52.037 -0.310 0.000 0.636 491 A CB -1.046 17.535 19.000 -0.699 0.000 0.815 491 A HN 0.222 nan 8.150 nan 0.000 0.449 492 T N 0.049 114.549 114.554 -0.091 0.000 2.708 492 T HA -0.192 4.137 4.350 -0.035 0.000 0.266 492 T C 1.976 176.684 174.700 0.013 0.000 1.037 492 T CA 1.753 63.886 62.100 0.054 0.000 1.146 492 T CB -0.301 68.516 68.868 -0.085 0.000 0.865 492 T HN 0.664 nan 8.240 nan 0.000 0.435 493 Q N 0.304 120.050 119.800 -0.091 0.000 2.291 493 Q HA -0.032 4.287 4.340 -0.035 0.000 0.206 493 Q C 2.416 178.411 176.000 -0.008 0.000 0.976 493 Q CA 0.737 56.504 55.803 -0.059 0.000 0.875 493 Q CB -0.270 28.405 28.738 -0.105 0.000 0.927 493 Q HN 0.366 nan 8.270 nan 0.000 0.450 494 V N 0.237 120.156 119.914 0.009 0.000 2.515 494 V HA -0.158 3.941 4.120 -0.035 0.000 0.250 494 V C 0.868 177.007 176.094 0.076 0.000 1.058 494 V CA 0.855 63.173 62.300 0.030 0.000 1.064 494 V CB -0.361 31.481 31.823 0.031 0.000 0.675 494 V HN 0.262 nan 8.190 nan 0.000 0.461 495 F N 2.487 122.430 119.950 -0.011 0.000 2.439 495 F HA 0.490 4.994 4.527 -0.038 0.000 0.356 495 F C 0.189 175.983 175.800 -0.011 0.000 1.161 495 F CA -0.066 57.931 58.000 -0.006 0.000 1.151 495 F CB -0.279 38.718 39.000 -0.004 0.000 1.222 495 F HN -0.072 nan 8.300 nan 0.000 0.558 496 K N 3.118 123.202 120.400 -0.527 0.000 2.546 496 K HA 0.433 4.732 4.320 -0.035 0.000 0.264 496 K C -0.658 175.684 176.600 -0.430 0.000 0.937 496 K CA -0.803 55.232 56.287 -0.419 0.000 0.833 496 K CB 2.066 34.468 32.500 -0.164 0.000 1.378 496 K HN 0.586 nan 8.250 nan 0.000 0.432 497 T N 0.000 114.357 114.554 -0.329 0.000 3.816 497 T HA 0.000 4.329 4.350 -0.035 0.000 0.228 497 T CA 0.000 61.966 62.100 -0.224 0.000 1.349 497 T CB 0.000 68.744 68.868 -0.206 0.000 0.612 497 T HN 0.000 nan 8.240 nan 0.000 0.658