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 3fwn_1_A DATA FIRST_RESID 2 DATA SEQUENCE SKQQIGVVGM AVMGRNLALN IESRGYTVSI FNRSREKTEE VIAENPGKKL DATA SEQUENCE VPYYTVKEFV ESLETPRRIL LMVKAGAGTD AAIDSLKPYL DKGDIIIDGG DATA SEQUENCE NTFFQDTIRR NRELSAEGFN FIGTGVSGGE EGALKGPSIM PGGQKEAYEL DATA SEQUENCE VAPILTKIAA VAEDGEPCVT YIGADGAGHY VKMVHNGIEY GDMQLIAEAY DATA SEQUENCE SLLKGGLNLT NEELAQTFTE WNNGELSSYL IDITKDIFTK KDEDGNYLVD DATA SEQUENCE VILDEAANKG TGKWTSQSAL DLGEPLSLIT ESVFARYISS LKDQRVAASK DATA SEQUENCE VLSGPQAQPA GDKAEFIEKV RRALYLGKIV SYAQGFSQLR AASEEYNWDL DATA SEQUENCE NYGEIAKIFR AGCIIRAQFL QKITDAYAEN PQIANLLLAP YFKQIADDYQ DATA SEQUENCE QALRDVVAYA VQIGIPVPTF SAAVAYYDSY RAAVLPANLI QAQRDYFGAH DATA SEQUENCE TYKRIDKEGV FHTEWLD 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.613 174.600 0.022 0.000 1.055 2 S CA 0.000 58.214 58.200 0.023 0.000 1.107 2 S CB 0.000 63.208 63.200 0.013 0.000 0.593 3 K N 0.584 120.988 120.400 0.006 0.000 2.426 3 K HA 0.696 5.020 4.320 0.007 0.000 0.251 3 K C -1.604 174.990 176.600 -0.010 0.000 0.941 3 K CA -0.651 55.627 56.287 -0.017 0.000 0.808 3 K CB 1.918 34.391 32.500 -0.045 0.000 1.265 3 K HN 0.389 nan 8.250 nan 0.000 0.432 4 Q N 1.223 121.004 119.800 -0.032 0.000 2.227 4 Q HA 0.170 4.515 4.340 0.007 0.000 0.245 4 Q C 0.585 176.561 176.000 -0.040 0.000 0.926 4 Q CA -0.002 55.794 55.803 -0.012 0.000 0.895 4 Q CB 1.213 29.946 28.738 -0.009 0.000 1.230 4 Q HN 0.446 nan 8.270 nan 0.000 0.450 5 Q N 0.590 120.392 119.800 0.002 0.000 2.378 5 Q HA 0.184 4.528 4.340 0.007 0.000 0.205 5 Q C -0.032 175.915 176.000 -0.089 0.000 0.954 5 Q CA 0.570 56.357 55.803 -0.027 0.000 0.901 5 Q CB 0.474 29.230 28.738 0.030 0.000 0.981 5 Q HN 0.542 nan 8.270 nan 0.000 0.483 6 I N -1.370 119.144 120.570 -0.093 0.000 2.882 6 I HA 0.483 4.657 4.170 0.007 0.000 0.298 6 I C -1.603 174.474 176.117 -0.066 0.000 1.462 6 I CA -0.795 60.441 61.300 -0.106 0.000 1.000 6 I CB 2.160 40.074 38.000 -0.144 0.000 1.340 6 I HN -0.049 nan 8.210 nan 0.000 0.462 7 G N 4.599 113.384 108.800 -0.026 0.000 2.574 7 G HA2 0.680 4.644 3.960 0.007 0.000 0.299 7 G HA3 0.680 4.644 3.960 0.007 0.000 0.299 7 G C -1.941 173.170 174.900 0.350 0.000 1.298 7 G CA -0.535 44.667 45.100 0.171 0.000 0.952 7 G HN 0.415 nan 8.290 nan 0.000 0.477 8 V N 0.934 121.069 119.914 0.368 0.000 2.444 8 V HA 0.441 4.565 4.120 0.007 0.000 0.294 8 V C -0.264 175.846 176.094 0.025 0.000 1.022 8 V CA -0.718 61.683 62.300 0.168 0.000 0.850 8 V CB 1.535 33.410 31.823 0.087 0.000 0.992 8 V HN 0.555 nan 8.190 nan 0.000 0.426 9 V N 3.540 123.430 119.914 -0.040 0.000 2.394 9 V HA 0.888 5.012 4.120 0.007 0.000 0.282 9 V C 0.628 176.675 176.094 -0.078 0.000 1.031 9 V CA 0.302 62.519 62.300 -0.139 0.000 0.881 9 V CB 1.044 32.822 31.823 -0.076 0.000 0.982 9 V HN 1.283 nan 8.190 nan 0.000 0.451 10 G N 5.660 114.379 108.800 -0.135 0.000 2.992 10 G HA2 -0.101 3.863 3.960 0.007 0.000 0.677 10 G HA3 -0.101 3.863 3.960 0.007 0.000 0.677 10 G C -0.402 174.444 174.900 -0.090 0.000 1.191 10 G CA -0.743 44.297 45.100 -0.101 0.000 1.178 10 G HN 0.413 nan 8.290 nan 0.000 0.506 11 M N 1.357 120.888 119.600 -0.116 0.000 2.551 11 M HA 0.353 4.837 4.480 0.007 0.000 0.252 11 M C 1.468 177.735 176.300 -0.054 0.000 1.219 11 M CA 0.263 55.514 55.300 -0.081 0.000 0.978 11 M CB -0.223 32.317 32.600 -0.100 0.000 1.533 11 M HN 0.900 nan 8.290 nan 0.000 0.474 12 A N 0.385 123.177 122.820 -0.047 0.000 2.256 12 A HA 0.237 4.561 4.320 0.007 0.000 0.276 12 A C 1.614 179.186 177.584 -0.020 0.000 1.259 12 A CA 0.057 52.076 52.037 -0.031 0.000 0.813 12 A CB -0.025 18.960 19.000 -0.025 0.000 1.200 12 A HN 0.168 nan 8.150 nan 0.000 0.506 13 V N -0.556 119.350 119.914 -0.013 0.000 2.282 13 V HA -0.237 3.887 4.120 0.007 0.000 0.249 13 V C 2.259 178.350 176.094 -0.005 0.000 1.057 13 V CA 2.756 65.051 62.300 -0.008 0.000 1.032 13 V CB -0.659 31.161 31.823 -0.005 0.000 0.645 13 V HN 0.704 nan 8.190 nan 0.000 0.447 14 M N 0.295 119.893 119.600 -0.003 0.000 2.067 14 M HA -0.036 4.449 4.480 0.007 0.000 0.260 14 M C 2.333 178.633 176.300 0.001 0.000 1.069 14 M CA 2.129 57.429 55.300 0.001 0.000 1.117 14 M CB -2.135 30.468 32.600 0.005 0.000 1.334 14 M HN 0.477 nan 8.290 nan 0.000 0.407 15 G N 0.286 109.084 108.800 -0.003 0.000 2.404 15 G HA2 -0.242 3.723 3.960 0.007 0.000 0.215 15 G HA3 -0.242 3.723 3.960 0.007 0.000 0.215 15 G C 1.632 176.531 174.900 -0.002 0.000 1.174 15 G CA 1.139 46.237 45.100 -0.003 0.000 0.780 15 G HN 0.551 nan 8.290 nan 0.000 0.537 16 R N 0.513 121.008 120.500 -0.008 0.000 2.081 16 R HA 0.008 4.352 4.340 0.007 0.000 0.235 16 R C 2.070 178.374 176.300 0.006 0.000 1.131 16 R CA 1.834 57.932 56.100 -0.003 0.000 0.960 16 R CB -0.828 29.467 30.300 -0.009 0.000 0.856 16 R HN 0.422 nan 8.270 nan 0.000 0.436 17 N N 0.231 118.934 118.700 0.004 0.000 2.223 17 N HA -0.092 4.653 4.740 0.007 0.000 0.185 17 N C 1.803 177.320 175.510 0.011 0.000 1.016 17 N CA 1.112 54.167 53.050 0.008 0.000 0.863 17 N CB -0.027 38.463 38.487 0.004 0.000 0.983 17 N HN 0.236 nan 8.380 nan 0.000 0.429 18 L N 0.611 121.840 121.223 0.009 0.000 2.072 18 L HA -0.075 4.270 4.340 0.007 0.000 0.205 18 L C 2.539 179.418 176.870 0.015 0.000 1.079 18 L CA 0.614 55.460 54.840 0.009 0.000 0.752 18 L CB -0.377 41.685 42.059 0.006 0.000 0.906 18 L HN 0.179 nan 8.230 nan 0.000 0.436 19 A N 0.100 122.932 122.820 0.021 0.000 1.933 19 A HA -0.161 4.163 4.320 0.007 0.000 0.218 19 A C 2.189 179.798 177.584 0.041 0.000 1.175 19 A CA 1.321 53.379 52.037 0.035 0.000 0.628 19 A CB -0.630 18.396 19.000 0.043 0.000 0.814 19 A HN 0.371 nan 8.150 nan 0.000 0.444 20 L N -0.257 120.986 121.223 0.033 0.000 2.141 20 L HA -0.167 4.177 4.340 0.007 0.000 0.209 20 L C 2.536 179.431 176.870 0.042 0.000 1.094 20 L CA 1.220 56.082 54.840 0.036 0.000 0.763 20 L CB -0.611 41.464 42.059 0.026 0.000 0.908 20 L HN 0.452 nan 8.230 nan 0.000 0.437 21 N N 1.192 119.913 118.700 0.036 0.000 2.084 21 N HA -0.168 4.577 4.740 0.007 0.000 0.190 21 N C 1.844 177.393 175.510 0.065 0.000 1.030 21 N CA 1.567 54.641 53.050 0.040 0.000 0.849 21 N CB -0.110 38.393 38.487 0.026 0.000 1.012 21 N HN 0.246 nan 8.380 nan 0.000 0.423 22 I N 0.952 121.559 120.570 0.061 0.000 2.163 22 I HA -0.222 3.952 4.170 0.007 0.000 0.243 22 I C 2.467 178.699 176.117 0.193 0.000 1.085 22 I CA 1.149 62.506 61.300 0.094 0.000 1.347 22 I CB -0.355 37.650 38.000 0.010 0.000 1.044 22 I HN 0.236 nan 8.210 nan 0.000 0.408 23 E N 1.152 121.429 120.200 0.129 0.000 2.085 23 E HA -0.238 4.117 4.350 0.007 0.000 0.194 23 E C 2.236 178.890 176.600 0.090 0.000 0.994 23 E CA 1.910 58.381 56.400 0.118 0.000 0.801 23 E CB -0.131 29.615 29.700 0.078 0.000 0.743 23 E HN 0.510 nan 8.360 nan 0.000 0.453 24 S N 0.013 115.758 115.700 0.074 0.000 2.507 24 S HA -0.051 4.423 4.470 0.007 0.000 0.235 24 S C 1.538 176.167 174.600 0.048 0.000 0.988 24 S CA 0.334 58.564 58.200 0.050 0.000 0.944 24 S CB -0.121 63.105 63.200 0.042 0.000 0.762 24 S HN 0.116 nan 8.310 nan 0.000 0.526 25 R N 0.687 121.241 120.500 0.091 0.000 2.317 25 R HA 0.306 4.651 4.340 0.007 0.000 0.208 25 R C 1.674 177.929 176.300 -0.075 0.000 0.914 25 R CA 0.601 56.742 56.100 0.069 0.000 1.060 25 R CB -0.717 29.709 30.300 0.209 0.000 1.015 25 R HN 0.654 nan 8.270 nan 0.000 0.498 26 G N -0.083 108.674 108.800 -0.072 0.000 2.184 26 G HA2 -0.250 3.714 3.960 0.007 0.000 0.206 26 G HA3 -0.250 3.714 3.960 0.007 0.000 0.206 26 G C -0.265 174.499 174.900 -0.227 0.000 0.995 26 G CA -0.479 44.518 45.100 -0.173 0.000 0.651 26 G HN 0.262 nan 8.290 nan 0.000 0.511 27 Y N 1.251 121.553 120.300 0.003 0.000 2.307 27 Y HA 0.586 5.141 4.550 0.007 0.000 0.324 27 Y C 1.123 177.029 175.900 0.011 0.000 1.238 27 Y CA 0.173 58.275 58.100 0.003 0.000 1.280 27 Y CB 1.267 39.728 38.460 0.001 0.000 1.248 27 Y HN 0.001 nan 8.280 nan 0.000 0.508 28 T N 2.927 117.590 114.554 0.181 0.000 2.767 28 T HA 0.493 4.847 4.350 0.007 0.000 0.288 28 T C -0.759 174.019 174.700 0.131 0.000 0.963 28 T CA -0.594 61.577 62.100 0.119 0.000 1.019 28 T CB 0.397 69.314 68.868 0.082 0.000 0.923 28 T HN 0.297 nan 8.240 nan 0.000 0.468 29 V N 3.357 123.341 119.914 0.117 0.000 2.495 29 V HA 0.425 4.549 4.120 0.007 0.000 0.298 29 V C 0.262 176.443 176.094 0.144 0.000 1.031 29 V CA -0.879 61.486 62.300 0.109 0.000 0.871 29 V CB 1.995 33.877 31.823 0.099 0.000 0.988 29 V HN 0.910 nan 8.190 nan 0.000 0.432 30 S N 5.605 121.402 115.700 0.162 0.000 2.586 30 S HA 0.717 5.192 4.470 0.007 0.000 0.274 30 S C -0.172 174.695 174.600 0.445 0.000 1.281 30 S CA -0.391 57.993 58.200 0.306 0.000 1.035 30 S CB 0.773 64.028 63.200 0.092 0.000 0.962 30 S HN 0.706 nan 8.310 nan 0.000 0.512 31 I N -0.141 120.712 120.570 0.471 0.000 2.828 31 I HA 0.869 5.043 4.170 0.007 0.000 0.302 31 I C -1.420 174.818 176.117 0.202 0.000 1.101 31 I CA -1.085 60.386 61.300 0.285 0.000 1.031 31 I CB 2.106 40.163 38.000 0.094 0.000 1.231 31 I HN 0.603 nan 8.210 nan 0.000 0.427 32 F N 3.768 123.529 119.950 -0.315 0.000 2.641 32 F HA 0.647 5.178 4.527 0.007 0.000 0.308 32 F C -1.792 173.800 175.800 -0.346 0.000 1.105 32 F CA -0.365 57.372 58.000 -0.437 0.000 0.964 32 F CB 2.096 40.599 39.000 -0.828 0.000 1.294 32 F HN 0.773 nan 8.300 nan 0.000 0.442 33 N N 2.742 120.566 118.700 -1.459 0.000 2.277 33 N HA 0.365 5.110 4.740 0.007 0.000 0.286 33 N C 0.247 174.997 175.510 -1.267 0.000 1.140 33 N CA -0.705 51.721 53.050 -1.040 0.000 0.799 33 N CB 2.274 40.474 38.487 -0.478 0.000 1.596 33 N HN 0.730 nan 8.380 nan 0.000 0.473 34 R N 0.634 120.727 120.500 -0.678 0.000 2.105 34 R HA 0.060 4.404 4.340 0.007 0.000 0.239 34 R C -0.403 175.783 176.300 -0.190 0.000 1.135 34 R CA 1.150 57.063 56.100 -0.312 0.000 0.967 34 R CB -0.108 30.132 30.300 -0.101 0.000 0.861 34 R HN 0.481 nan 8.270 nan 0.000 0.442 35 S N 0.807 116.396 115.700 -0.184 0.000 2.434 35 S HA 0.149 4.623 4.470 0.007 0.000 0.318 35 S C 0.577 175.135 174.600 -0.071 0.000 1.062 35 S CA -0.645 57.504 58.200 -0.086 0.000 1.116 35 S CB 1.484 64.646 63.200 -0.062 0.000 0.977 35 S HN 0.389 nan 8.310 nan 0.000 0.480 36 R N 3.226 123.737 120.500 0.018 0.000 2.185 36 R HA -0.254 4.091 4.340 0.007 0.000 0.247 36 R C 1.384 177.761 176.300 0.128 0.000 1.159 36 R CA 2.180 58.383 56.100 0.172 0.000 0.988 36 R CB -0.691 29.767 30.300 0.264 0.000 0.871 36 R HN 0.712 nan 8.270 nan 0.000 0.458 37 E N 1.379 121.602 120.200 0.038 0.000 2.118 37 E HA -0.209 4.146 4.350 0.007 0.000 0.195 37 E C 1.781 178.390 176.600 0.014 0.000 0.992 37 E CA 1.186 57.598 56.400 0.020 0.000 0.804 37 E CB -0.209 29.490 29.700 -0.002 0.000 0.741 37 E HN 0.433 nan 8.360 nan 0.000 0.458 38 K N 0.418 120.810 120.400 -0.013 0.000 2.097 38 K HA -0.068 4.256 4.320 0.007 0.000 0.205 38 K C 2.149 178.736 176.600 -0.021 0.000 1.050 38 K CA 1.649 57.918 56.287 -0.029 0.000 0.938 38 K CB 0.021 32.484 32.500 -0.063 0.000 0.718 38 K HN 0.111 nan 8.250 nan 0.000 0.442 39 T N 0.961 115.505 114.554 -0.016 0.000 2.701 39 T HA -0.130 4.225 4.350 0.007 0.000 0.263 39 T C 1.394 176.136 174.700 0.070 0.000 1.040 39 T CA 1.419 63.513 62.100 -0.010 0.000 1.147 39 T CB -0.206 68.627 68.868 -0.057 0.000 0.865 39 T HN 0.339 nan 8.240 nan 0.000 0.426 40 E N 0.945 121.235 120.200 0.149 0.000 2.130 40 E HA -0.198 4.157 4.350 0.007 0.000 0.196 40 E C 2.302 178.936 176.600 0.056 0.000 0.998 40 E CA 1.122 57.596 56.400 0.123 0.000 0.806 40 E CB -0.135 29.613 29.700 0.081 0.000 0.738 40 E HN 0.578 nan 8.360 nan 0.000 0.459 41 E N 0.245 120.465 120.200 0.034 0.000 2.031 41 E HA -0.178 4.176 4.350 0.007 0.000 0.193 41 E C 2.223 178.831 176.600 0.015 0.000 0.994 41 E CA 1.326 57.736 56.400 0.016 0.000 0.800 41 E CB 0.084 29.787 29.700 0.005 0.000 0.752 41 E HN 0.058 nan 8.360 nan 0.000 0.447 42 V N 1.704 121.625 119.914 0.012 0.000 2.332 42 V HA -0.275 3.850 4.120 0.007 0.000 0.248 42 V C 2.279 178.383 176.094 0.018 0.000 1.055 42 V CA 1.180 63.486 62.300 0.010 0.000 1.038 42 V CB -0.429 31.395 31.823 0.002 0.000 0.651 42 V HN 0.315 nan 8.190 nan 0.000 0.450 43 I N 0.758 121.345 120.570 0.028 0.000 2.142 43 I HA -0.227 3.948 4.170 0.007 0.000 0.240 43 I C 2.739 178.872 176.117 0.026 0.000 1.078 43 I CA 2.081 63.401 61.300 0.033 0.000 1.343 43 I CB -1.640 36.393 38.000 0.056 0.000 1.046 43 I HN 0.326 nan 8.210 nan 0.000 0.405 44 A N 0.477 123.312 122.820 0.025 0.000 1.933 44 A HA -0.201 4.123 4.320 0.007 0.000 0.218 44 A C 2.122 179.714 177.584 0.012 0.000 1.175 44 A CA 1.564 53.611 52.037 0.017 0.000 0.628 44 A CB -0.622 18.386 19.000 0.013 0.000 0.814 44 A HN 0.561 nan 8.150 nan 0.000 0.444 45 E N -0.191 120.017 120.200 0.012 0.000 2.435 45 E HA -0.001 4.354 4.350 0.007 0.000 0.195 45 E C -0.339 176.268 176.600 0.011 0.000 1.029 45 E CA 0.203 56.609 56.400 0.010 0.000 0.865 45 E CB 0.042 29.746 29.700 0.008 0.000 0.833 45 E HN 0.478 nan 8.360 nan 0.000 0.510 46 N N 1.461 120.170 118.700 0.014 0.000 2.844 46 N HA 0.096 4.841 4.740 0.007 0.000 0.268 46 N C -2.071 173.448 175.510 0.016 0.000 1.574 46 N CA -0.957 52.102 53.050 0.015 0.000 0.838 46 N CB 1.327 39.825 38.487 0.018 0.000 1.177 46 N HN 0.014 nan 8.380 nan 0.000 0.495 47 P HA -0.169 nan 4.420 nan 0.000 0.213 47 P C 1.340 178.647 177.300 0.012 0.000 1.176 47 P CA 1.587 64.694 63.100 0.012 0.000 0.919 47 P CB 0.179 31.884 31.700 0.009 0.000 0.791 48 G N -0.469 108.338 108.800 0.012 0.000 2.813 48 G HA2 -0.065 3.899 3.960 0.007 0.000 0.209 48 G HA3 -0.065 3.899 3.960 0.007 0.000 0.209 48 G C 0.614 175.523 174.900 0.015 0.000 1.150 48 G CA -0.079 45.028 45.100 0.012 0.000 0.785 48 G HN 0.189 nan 8.290 nan 0.000 0.535 49 K N 1.406 121.818 120.400 0.019 0.000 2.451 49 K HA 0.092 4.417 4.320 0.007 0.000 0.280 49 K C 0.265 176.883 176.600 0.030 0.000 1.020 49 K CA 0.027 56.330 56.287 0.026 0.000 1.008 49 K CB 1.002 33.519 32.500 0.029 0.000 0.917 49 K HN 0.179 nan 8.250 nan 0.000 0.478 50 K N 3.354 123.776 120.400 0.035 0.000 2.989 50 K HA 0.104 4.429 4.320 0.007 0.000 0.264 50 K C -0.002 176.632 176.600 0.057 0.000 1.228 50 K CA 0.118 56.430 56.287 0.042 0.000 1.186 50 K CB -0.370 32.155 32.500 0.043 0.000 1.409 50 K HN 0.259 nan 8.250 nan 0.000 0.271 51 L N 1.241 122.495 121.223 0.051 0.000 2.307 51 L HA 0.371 4.716 4.340 0.007 0.000 0.284 51 L C -0.298 176.604 176.870 0.054 0.000 1.023 51 L CA -1.119 53.758 54.840 0.062 0.000 0.810 51 L CB 1.747 43.836 42.059 0.050 0.000 1.231 51 L HN -0.048 nan 8.230 nan 0.000 0.423 52 V N 4.360 124.323 119.914 0.082 0.000 2.349 52 V HA 0.335 4.459 4.120 0.007 0.000 0.284 52 V C -2.110 173.987 176.094 0.004 0.000 1.014 52 V CA -1.555 60.767 62.300 0.037 0.000 0.826 52 V CB 1.482 33.371 31.823 0.111 0.000 1.009 52 V HN 0.592 nan 8.190 nan 0.000 0.431 53 P HA 0.392 nan 4.420 nan 0.000 0.279 53 P C -1.578 175.383 177.300 -0.564 0.000 1.239 53 P CA -0.188 62.769 63.100 -0.239 0.000 0.789 53 P CB 1.018 32.620 31.700 -0.162 0.000 0.933 54 Y N 0.732 120.875 120.300 -0.262 0.000 2.512 54 Y HA 0.349 4.903 4.550 0.007 0.000 0.348 54 Y C 0.358 176.061 175.900 -0.328 0.000 0.990 54 Y CA -0.326 57.709 58.100 -0.108 0.000 1.033 54 Y CB 2.123 40.661 38.460 0.130 0.000 1.259 54 Y HN 0.272 nan 8.280 nan 0.000 0.461 55 Y N -0.373 120.134 120.300 0.344 0.000 2.641 55 Y HA 0.287 4.842 4.550 0.008 0.000 0.248 55 Y C 0.552 176.657 175.900 0.342 0.000 1.170 55 Y CA -0.314 57.990 58.100 0.340 0.000 1.201 55 Y CB 1.439 39.992 38.460 0.156 0.000 1.232 55 Y HN 0.483 nan 8.280 nan 0.000 0.537 56 T N -0.313 114.399 114.554 0.263 0.000 2.900 56 T HA 0.349 4.704 4.350 0.007 0.000 0.295 56 T C 1.065 175.534 174.700 -0.385 0.000 1.044 56 T CA -0.380 61.730 62.100 0.016 0.000 0.995 56 T CB 1.285 70.162 68.868 0.015 0.000 1.072 56 T HN 0.003 nan 8.240 nan 0.000 0.473 57 V N 3.362 122.923 119.914 -0.588 0.000 2.427 57 V HA 0.046 4.171 4.120 0.007 0.000 0.248 57 V C 2.409 178.106 176.094 -0.662 0.000 1.051 57 V CA 1.890 63.730 62.300 -0.765 0.000 1.048 57 V CB -0.942 30.581 31.823 -0.500 0.000 0.666 57 V HN 0.903 nan 8.190 nan 0.000 0.456 58 K N 0.590 120.492 120.400 -0.831 0.000 2.009 58 K HA -0.247 4.078 4.320 0.007 0.000 0.210 58 K C 2.286 178.595 176.600 -0.486 0.000 1.049 58 K CA 2.328 57.989 56.287 -1.044 0.000 0.929 58 K CB -0.316 31.740 32.500 -0.740 0.000 0.714 58 K HN 0.657 nan 8.250 nan 0.000 0.440 59 E N -0.412 119.634 120.200 -0.256 0.000 2.077 59 E HA -0.207 4.148 4.350 0.007 0.000 0.193 59 E C 1.846 178.222 176.600 -0.374 0.000 0.989 59 E CA 1.279 57.616 56.400 -0.105 0.000 0.800 59 E CB -0.211 29.615 29.700 0.210 0.000 0.746 59 E HN 0.314 nan 8.360 nan 0.000 0.452 60 F N 1.155 120.771 119.950 -0.556 0.000 2.069 60 F HA -0.255 4.276 4.527 0.007 0.000 0.298 60 F C 2.081 177.505 175.800 -0.627 0.000 1.113 60 F CA 1.264 58.794 58.000 -0.784 0.000 1.214 60 F CB -0.428 38.245 39.000 -0.544 0.000 0.978 60 F HN -0.195 nan 8.300 nan 0.000 0.474 61 V N 0.528 120.137 119.914 -0.509 0.000 2.407 61 V HA -0.284 3.840 4.120 0.007 0.000 0.248 61 V C 2.192 178.045 176.094 -0.401 0.000 1.055 61 V CA 2.290 64.321 62.300 -0.448 0.000 1.049 61 V CB -0.747 30.948 31.823 -0.213 0.000 0.662 61 V HN 0.370 nan 8.190 nan 0.000 0.455 62 E N 0.636 120.629 120.200 -0.345 0.000 2.268 62 E HA -0.144 4.211 4.350 0.007 0.000 0.195 62 E C 2.200 178.640 176.600 -0.266 0.000 0.995 62 E CA 1.261 57.522 56.400 -0.232 0.000 0.836 62 E CB -0.178 29.433 29.700 -0.148 0.000 0.763 62 E HN 0.756 nan 8.360 nan 0.000 0.491 63 S N 0.268 115.696 115.700 -0.455 0.000 2.555 63 S HA -0.013 4.461 4.470 0.007 0.000 0.230 63 S C 0.809 175.217 174.600 -0.321 0.000 0.978 63 S CA 0.148 58.108 58.200 -0.399 0.000 0.934 63 S CB -0.190 62.531 63.200 -0.799 0.000 0.766 63 S HN 0.045 nan 8.310 nan 0.000 0.533 64 L N 1.659 122.664 121.223 -0.363 0.000 2.322 64 L HA 0.486 4.830 4.340 0.007 0.000 0.279 64 L C 0.268 177.037 176.870 -0.167 0.000 1.036 64 L CA -0.685 53.987 54.840 -0.281 0.000 0.807 64 L CB 1.341 43.180 42.059 -0.367 0.000 1.226 64 L HN 0.219 nan 8.230 nan 0.000 0.433 65 E N 1.728 121.857 120.200 -0.118 0.000 2.360 65 E HA 0.115 4.469 4.350 0.007 0.000 0.269 65 E C -0.410 176.149 176.600 -0.069 0.000 1.022 65 E CA -0.537 55.818 56.400 -0.075 0.000 0.887 65 E CB 0.951 30.622 29.700 -0.050 0.000 0.990 65 E HN 0.619 nan 8.360 nan 0.000 0.426 66 T N 2.415 116.940 114.554 -0.049 0.000 2.909 66 T HA 0.406 4.761 4.350 0.007 0.000 0.289 66 T C -2.235 172.450 174.700 -0.025 0.000 1.005 66 T CA -1.696 60.383 62.100 -0.034 0.000 1.084 66 T CB 1.037 69.894 68.868 -0.018 0.000 0.975 66 T HN 0.278 nan 8.240 nan 0.000 0.509 67 P HA 0.267 nan 4.420 nan 0.000 0.271 67 P C -0.060 177.221 177.300 -0.032 0.000 1.220 67 P CA -0.469 62.625 63.100 -0.011 0.000 0.768 67 P CB 0.401 32.101 31.700 0.000 0.000 0.848 68 R N 2.875 123.352 120.500 -0.039 0.000 2.590 68 R HA 0.241 4.585 4.340 0.007 0.000 0.274 68 R C 0.187 176.450 176.300 -0.061 0.000 1.061 68 R CA 0.015 56.070 56.100 -0.074 0.000 1.081 68 R CB 0.407 30.647 30.300 -0.100 0.000 0.984 68 R HN 0.405 nan 8.270 nan 0.000 0.448 69 R N 2.833 123.284 120.500 -0.081 0.000 2.320 69 R HA 0.377 4.721 4.340 0.007 0.000 0.319 69 R C -0.655 175.615 176.300 -0.049 0.000 0.969 69 R CA -0.198 55.863 56.100 -0.064 0.000 0.857 69 R CB 1.086 31.335 30.300 -0.085 0.000 1.160 69 R HN 0.483 nan 8.270 nan 0.000 0.491 70 I N 4.442 125.010 120.570 -0.004 0.000 2.382 70 I HA 0.218 4.392 4.170 0.007 0.000 0.285 70 I C -0.885 175.275 176.117 0.072 0.000 1.007 70 I CA -1.072 60.275 61.300 0.078 0.000 1.142 70 I CB 1.645 39.719 38.000 0.124 0.000 1.289 70 I HN 0.302 nan 8.210 nan 0.000 0.453 71 L N 8.087 129.357 121.223 0.079 0.000 2.260 71 L HA 0.431 4.776 4.340 0.007 0.000 0.289 71 L C -0.968 175.941 176.870 0.065 0.000 1.057 71 L CA -0.206 54.659 54.840 0.042 0.000 0.811 71 L CB 1.012 43.085 42.059 0.023 0.000 1.184 71 L HN 0.474 nan 8.230 nan 0.000 0.429 72 L N 7.040 128.297 121.223 0.057 0.000 2.262 72 L HA 0.513 4.858 4.340 0.007 0.000 0.288 72 L C -0.566 176.338 176.870 0.057 0.000 1.035 72 L CA 0.142 55.023 54.840 0.068 0.000 0.820 72 L CB 0.966 43.089 42.059 0.106 0.000 1.204 72 L HN 0.607 nan 8.230 nan 0.000 0.424 73 M N 7.333 126.955 119.600 0.037 0.000 2.746 73 M HA 0.297 4.781 4.480 0.007 0.000 0.209 73 M C -0.483 175.829 176.300 0.020 0.000 1.077 73 M CA -0.256 55.062 55.300 0.031 0.000 0.695 73 M CB 0.488 33.098 32.600 0.017 0.000 1.416 73 M HN 0.376 nan 8.290 nan 0.000 0.459 74 V N -1.343 118.592 119.914 0.035 0.000 3.284 74 V HA 0.632 4.756 4.120 0.007 0.000 0.309 74 V C 0.291 176.407 176.094 0.037 0.000 1.190 74 V CA -1.238 61.076 62.300 0.024 0.000 1.038 74 V CB 1.651 33.490 31.823 0.026 0.000 1.198 74 V HN 0.493 nan 8.190 nan 0.000 0.465 75 K N 1.319 121.738 120.400 0.031 0.000 2.447 75 K HA 0.496 4.821 4.320 0.007 0.000 0.281 75 K C 0.416 177.050 176.600 0.057 0.000 1.031 75 K CA 0.461 56.771 56.287 0.039 0.000 1.019 75 K CB 0.564 33.082 32.500 0.030 0.000 0.918 75 K HN 1.087 nan 8.250 nan 0.000 0.476 76 A N 3.280 126.142 122.820 0.070 0.000 2.507 76 A HA 0.449 4.774 4.320 0.007 0.000 0.235 76 A C 0.886 178.520 177.584 0.084 0.000 1.070 76 A CA 0.733 52.824 52.037 0.089 0.000 0.768 76 A CB -0.278 18.796 19.000 0.123 0.000 1.011 76 A HN 1.013 nan 8.150 nan 0.000 0.502 77 G N -0.094 108.754 108.800 0.081 0.000 2.516 77 G HA2 0.241 4.205 3.960 0.007 0.000 0.220 77 G HA3 0.241 4.205 3.960 0.007 0.000 0.220 77 G C 1.130 176.059 174.900 0.048 0.000 1.165 77 G CA 0.922 46.060 45.100 0.063 0.000 1.013 77 G HN 1.988 nan 8.290 nan 0.000 0.590 78 A N -0.063 122.780 122.820 0.038 0.000 2.019 78 A HA 0.319 4.644 4.320 0.007 0.000 0.219 78 A C 2.765 180.371 177.584 0.036 0.000 1.164 78 A CA 2.673 54.729 52.037 0.030 0.000 0.644 78 A CB -1.020 17.995 19.000 0.025 0.000 0.805 78 A HN 2.223 nan 8.150 nan 0.000 0.449 79 G N -0.511 108.313 108.800 0.041 0.000 2.443 79 G HA2 -0.127 3.838 3.960 0.007 0.000 0.219 79 G HA3 -0.127 3.838 3.960 0.007 0.000 0.219 79 G C 1.671 176.604 174.900 0.054 0.000 1.131 79 G CA 1.828 46.954 45.100 0.043 0.000 0.775 79 G HN 0.659 nan 8.290 nan 0.000 0.547 80 T N -1.727 112.865 114.554 0.065 0.000 2.896 80 T HA -0.041 4.314 4.350 0.007 0.000 0.263 80 T C 1.778 176.524 174.700 0.075 0.000 1.050 80 T CA 1.365 63.517 62.100 0.087 0.000 1.140 80 T CB -0.150 68.788 68.868 0.117 0.000 0.877 80 T HN 0.101 nan 8.240 nan 0.000 0.457 81 D N 1.800 122.229 120.400 0.049 0.000 2.178 81 D HA 0.050 4.694 4.640 0.007 0.000 0.202 81 D C 2.444 178.763 176.300 0.031 0.000 0.974 81 D CA 1.282 55.296 54.000 0.023 0.000 0.841 81 D CB -0.307 40.498 40.800 0.007 0.000 0.953 81 D HN 0.568 nan 8.370 nan 0.000 0.478 82 A N 1.257 124.101 122.820 0.040 0.000 1.902 82 A HA -0.048 4.276 4.320 0.007 0.000 0.217 82 A C 2.336 179.954 177.584 0.058 0.000 1.181 82 A CA 2.022 54.086 52.037 0.044 0.000 0.623 82 A CB -0.546 18.481 19.000 0.045 0.000 0.818 82 A HN 0.235 nan 8.150 nan 0.000 0.443 83 A N -0.225 122.636 122.820 0.068 0.000 1.930 83 A HA -0.002 4.323 4.320 0.007 0.000 0.217 83 A C 2.108 179.737 177.584 0.075 0.000 1.175 83 A CA 1.339 53.426 52.037 0.083 0.000 0.627 83 A CB -0.541 18.513 19.000 0.090 0.000 0.815 83 A HN 0.494 nan 8.150 nan 0.000 0.443 84 I N -0.038 120.573 120.570 0.069 0.000 2.113 84 I HA -0.248 3.926 4.170 0.007 0.000 0.238 84 I C 1.857 177.989 176.117 0.026 0.000 1.070 84 I CA 1.612 62.942 61.300 0.050 0.000 1.332 84 I CB -0.547 37.467 38.000 0.022 0.000 1.044 84 I HN 0.279 nan 8.210 nan 0.000 0.402 85 D N 0.642 121.058 120.400 0.026 0.000 2.228 85 D HA -0.168 4.476 4.640 0.007 0.000 0.203 85 D C 2.251 178.572 176.300 0.035 0.000 0.988 85 D CA 1.925 55.940 54.000 0.024 0.000 0.864 85 D CB -0.095 40.719 40.800 0.024 0.000 0.928 85 D HN 0.415 nan 8.370 nan 0.000 0.469 86 S N -0.469 115.265 115.700 0.056 0.000 2.496 86 S HA 0.034 4.509 4.470 0.007 0.000 0.224 86 S C 2.075 176.748 174.600 0.122 0.000 0.996 86 S CA 0.045 58.297 58.200 0.087 0.000 0.927 86 S CB -0.126 63.129 63.200 0.092 0.000 0.774 86 S HN 0.192 nan 8.310 nan 0.000 0.524 87 L N 0.481 121.749 121.223 0.074 0.000 2.202 87 L HA 0.199 4.544 4.340 0.007 0.000 0.205 87 L C 2.558 179.431 176.870 0.006 0.000 1.083 87 L CA 0.538 55.425 54.840 0.077 0.000 0.790 87 L CB -0.336 41.734 42.059 0.019 0.000 0.942 87 L HN 0.169 nan 8.230 nan 0.000 0.452 88 K N 0.583 120.935 120.400 -0.079 0.000 2.032 88 K HA -0.220 4.104 4.320 0.007 0.000 0.218 88 K C -0.492 176.038 176.600 -0.117 0.000 1.054 88 K CA 2.202 58.398 56.287 -0.152 0.000 0.941 88 K CB -1.514 30.980 32.500 -0.009 0.000 0.720 88 K HN 0.271 nan 8.250 nan 0.000 0.449 89 P HA -0.209 nan 4.420 nan 0.000 0.218 89 P C 0.789 177.816 177.300 -0.455 0.000 1.146 89 P CA 1.726 64.620 63.100 -0.343 0.000 0.820 89 P CB -0.080 31.298 31.700 -0.537 0.000 0.778 90 Y N -1.049 119.223 120.300 -0.047 0.000 2.510 90 Y HA 0.189 4.744 4.550 0.007 0.000 0.273 90 Y C 1.787 177.644 175.900 -0.072 0.000 1.119 90 Y CA -0.322 57.744 58.100 -0.056 0.000 1.286 90 Y CB -0.575 37.837 38.460 -0.079 0.000 1.061 90 Y HN -0.168 nan 8.280 nan 0.000 0.542 91 L N 1.025 122.227 121.223 -0.035 0.000 2.452 91 L HA 0.118 4.462 4.340 0.007 0.000 0.267 91 L C -0.159 176.783 176.870 0.119 0.000 1.188 91 L CA -0.001 54.769 54.840 -0.118 0.000 0.821 91 L CB 0.393 42.059 42.059 -0.655 0.000 1.102 91 L HN 0.067 nan 8.230 nan 0.000 0.470 92 D N 1.148 121.648 120.400 0.167 0.000 2.252 92 D HA 0.156 4.800 4.640 0.007 0.000 0.245 92 D C -0.283 176.233 176.300 0.360 0.000 1.009 92 D CA -0.610 53.529 54.000 0.232 0.000 0.870 92 D CB 1.903 42.767 40.800 0.107 0.000 1.251 92 D HN 0.305 nan 8.370 nan 0.000 0.460 93 K N 0.259 120.801 120.400 0.238 0.000 2.511 93 K HA 0.136 4.461 4.320 0.007 0.000 0.280 93 K C 0.921 177.604 176.600 0.138 0.000 1.008 93 K CA 1.036 57.393 56.287 0.116 0.000 1.050 93 K CB 0.080 32.568 32.500 -0.019 0.000 0.889 93 K HN 0.647 nan 8.250 nan 0.000 0.484 94 G N 3.085 111.983 108.800 0.164 0.000 2.232 94 G HA2 -0.208 3.757 3.960 0.007 0.000 0.226 94 G HA3 -0.208 3.757 3.960 0.007 0.000 0.226 94 G C -0.253 174.731 174.900 0.140 0.000 0.996 94 G CA 0.103 45.276 45.100 0.121 0.000 0.626 94 G HN 0.723 nan 8.290 nan 0.000 0.509 95 D N 0.429 120.944 120.400 0.192 0.000 2.378 95 D HA 0.497 5.141 4.640 0.007 0.000 0.238 95 D C 0.776 177.142 176.300 0.110 0.000 1.180 95 D CA 0.483 54.543 54.000 0.100 0.000 0.895 95 D CB 0.730 41.545 40.800 0.024 0.000 1.192 95 D HN 0.391 nan 8.370 nan 0.000 0.438 96 I N 1.436 122.036 120.570 0.050 0.000 2.447 96 I HA 0.305 4.480 4.170 0.007 0.000 0.287 96 I C -0.199 175.944 176.117 0.043 0.000 1.023 96 I CA -0.569 60.768 61.300 0.061 0.000 1.083 96 I CB 1.463 39.477 38.000 0.024 0.000 1.245 96 I HN 0.045 nan 8.210 nan 0.000 0.434 97 I N 6.896 127.527 120.570 0.102 0.000 2.359 97 I HA 0.422 4.597 4.170 0.007 0.000 0.294 97 I C -0.415 175.659 176.117 -0.071 0.000 0.987 97 I CA -0.475 60.889 61.300 0.107 0.000 1.225 97 I CB 1.423 39.608 38.000 0.310 0.000 1.366 97 I HN 0.392 nan 8.210 nan 0.000 0.466 98 I N 5.099 125.609 120.570 -0.101 0.000 2.382 98 I HA 0.190 4.364 4.170 0.007 0.000 0.285 98 I C -0.674 175.343 176.117 -0.166 0.000 1.007 98 I CA -0.519 60.651 61.300 -0.217 0.000 1.142 98 I CB 1.478 39.409 38.000 -0.115 0.000 1.289 98 I HN 0.472 nan 8.210 nan 0.000 0.453 99 D N 5.247 125.475 120.400 -0.286 0.000 2.380 99 D HA 0.267 4.911 4.640 0.007 0.000 0.230 99 D C 0.930 177.271 176.300 0.068 0.000 1.154 99 D CA -0.266 53.728 54.000 -0.010 0.000 0.859 99 D CB 1.533 42.431 40.800 0.163 0.000 1.045 99 D HN 0.674 nan 8.370 nan 0.000 0.495 100 G N 2.718 111.565 108.800 0.079 0.000 3.337 100 G HA2 0.319 4.284 3.960 0.007 0.000 0.246 100 G HA3 0.319 4.284 3.960 0.007 0.000 0.246 100 G C 0.755 175.741 174.900 0.142 0.000 1.131 100 G CA -0.131 45.030 45.100 0.101 0.000 0.773 100 G HN 0.557 nan 8.290 nan 0.000 0.544 101 G N -0.139 108.752 108.800 0.152 0.000 2.651 101 G HA2 0.229 4.194 3.960 0.007 0.000 0.260 101 G HA3 0.229 4.194 3.960 0.007 0.000 0.260 101 G C -0.095 174.845 174.900 0.066 0.000 1.216 101 G CA -0.790 44.368 45.100 0.097 0.000 0.913 101 G HN 0.311 nan 8.290 nan 0.000 0.535 102 N N 0.282 119.017 118.700 0.059 0.000 3.188 102 N HA 0.184 4.928 4.740 0.007 0.000 0.279 102 N C -0.459 175.136 175.510 0.142 0.000 1.213 102 N CA -0.116 52.982 53.050 0.079 0.000 1.138 102 N CB 0.473 39.002 38.487 0.070 0.000 1.417 102 N HN 0.237 nan 8.380 nan 0.000 0.526 103 T N 1.379 115.848 114.554 -0.141 0.000 2.845 103 T HA 0.128 4.482 4.350 0.007 0.000 0.288 103 T C -0.062 174.569 174.700 -0.114 0.000 0.980 103 T CA -0.386 61.611 62.100 -0.171 0.000 1.071 103 T CB 0.667 69.268 68.868 -0.444 0.000 0.941 103 T HN 0.163 nan 8.240 nan 0.000 0.487 104 F N 5.027 124.761 119.950 -0.361 0.000 2.538 104 F HA 0.206 4.738 4.527 0.008 0.000 0.371 104 F C 1.094 176.717 175.800 -0.296 0.000 1.087 104 F CA -1.866 55.702 58.000 -0.719 0.000 1.250 104 F CB 0.063 38.371 39.000 -1.155 0.000 1.110 104 F HN 0.663 nan 8.300 nan 0.000 0.570 105 F N 2.588 122.019 119.950 -0.866 0.000 2.250 105 F HA -0.168 4.364 4.527 0.008 0.000 0.301 105 F C 1.708 177.222 175.800 -0.478 0.000 1.077 105 F CA 1.134 58.854 58.000 -0.466 0.000 1.348 105 F CB -0.789 38.074 39.000 -0.229 0.000 1.040 105 F HN 0.493 nan 8.300 nan 0.000 0.509 106 Q N 0.900 119.642 119.800 -1.764 0.000 2.224 106 Q HA -0.144 4.200 4.340 0.007 0.000 0.203 106 Q C 1.538 177.286 176.000 -0.420 0.000 0.970 106 Q CA 1.456 56.626 55.803 -1.056 0.000 0.865 106 Q CB -0.488 27.717 28.738 -0.888 0.000 0.922 106 Q HN 0.562 nan 8.270 nan 0.000 0.445 107 D N -0.139 120.081 120.400 -0.301 0.000 2.149 107 D HA -0.068 4.576 4.640 0.007 0.000 0.201 107 D C 1.688 177.971 176.300 -0.028 0.000 0.972 107 D CA 1.080 55.019 54.000 -0.100 0.000 0.835 107 D CB -0.020 40.760 40.800 -0.033 0.000 0.966 107 D HN 0.162 nan 8.370 nan 0.000 0.476 108 T N 1.155 115.738 114.554 0.048 0.000 2.821 108 T HA -0.025 4.329 4.350 0.007 0.000 0.267 108 T C 2.217 177.024 174.700 0.179 0.000 1.046 108 T CA 0.365 62.632 62.100 0.277 0.000 1.139 108 T CB -0.047 69.083 68.868 0.437 0.000 0.871 108 T HN 0.138 nan 8.240 nan 0.000 0.454 109 I N 0.816 121.425 120.570 0.065 0.000 2.179 109 I HA -0.195 3.980 4.170 0.007 0.000 0.242 109 I C 2.807 178.935 176.117 0.018 0.000 1.088 109 I CA 1.333 62.673 61.300 0.066 0.000 1.357 109 I CB -0.340 37.666 38.000 0.009 0.000 1.051 109 I HN 0.155 nan 8.210 nan 0.000 0.409 110 R N 1.292 121.767 120.500 -0.042 0.000 2.070 110 R HA -0.174 4.170 4.340 0.007 0.000 0.233 110 R C 2.477 178.725 176.300 -0.088 0.000 1.137 110 R CA 1.573 57.639 56.100 -0.057 0.000 0.945 110 R CB -0.155 30.102 30.300 -0.071 0.000 0.845 110 R HN 0.238 nan 8.270 nan 0.000 0.430 111 R N 0.447 120.854 120.500 -0.156 0.000 2.081 111 R HA -0.110 4.234 4.340 0.007 0.000 0.235 111 R C 2.382 178.481 176.300 -0.335 0.000 1.131 111 R CA 1.539 57.420 56.100 -0.365 0.000 0.960 111 R CB -0.625 29.232 30.300 -0.739 0.000 0.856 111 R HN 0.423 nan 8.270 nan 0.000 0.436 112 N N 1.377 120.014 118.700 -0.105 0.000 2.149 112 N HA -0.226 4.518 4.740 0.007 0.000 0.188 112 N C 1.797 177.342 175.510 0.058 0.000 1.019 112 N CA 1.392 54.510 53.050 0.113 0.000 0.857 112 N CB 0.009 38.659 38.487 0.273 0.000 0.997 112 N HN 0.213 nan 8.380 nan 0.000 0.426 113 R N 0.658 121.173 120.500 0.025 0.000 2.066 113 R HA -0.057 4.288 4.340 0.007 0.000 0.232 113 R C 2.006 178.302 176.300 -0.006 0.000 1.131 113 R CA 1.389 57.500 56.100 0.018 0.000 0.955 113 R CB -0.054 30.253 30.300 0.012 0.000 0.851 113 R HN 0.328 nan 8.270 nan 0.000 0.432 114 E N 0.459 120.638 120.200 -0.034 0.000 2.038 114 E HA -0.213 4.142 4.350 0.007 0.000 0.195 114 E C 2.120 178.709 176.600 -0.017 0.000 1.000 114 E CA 1.550 57.929 56.400 -0.035 0.000 0.803 114 E CB -0.130 29.536 29.700 -0.056 0.000 0.750 114 E HN 0.337 nan 8.360 nan 0.000 0.448 115 L N 0.539 121.755 121.223 -0.011 0.000 2.083 115 L HA -0.179 4.165 4.340 0.007 0.000 0.209 115 L C 2.687 179.594 176.870 0.061 0.000 1.083 115 L CA 0.774 55.666 54.840 0.088 0.000 0.752 115 L CB -0.372 41.755 42.059 0.113 0.000 0.899 115 L HN 0.122 nan 8.230 nan 0.000 0.433 116 S N -0.201 115.526 115.700 0.045 0.000 2.368 116 S HA -0.204 4.271 4.470 0.007 0.000 0.225 116 S C 2.165 176.737 174.600 -0.047 0.000 1.030 116 S CA 1.263 59.476 58.200 0.021 0.000 0.999 116 S CB -0.124 63.102 63.200 0.044 0.000 0.844 116 S HN 0.450 nan 8.310 nan 0.000 0.459 117 A N 0.795 123.588 122.820 -0.045 0.000 1.978 117 A HA -0.107 4.217 4.320 0.007 0.000 0.220 117 A C 1.808 179.314 177.584 -0.131 0.000 1.170 117 A CA 1.691 53.688 52.037 -0.068 0.000 0.636 117 A CB -0.535 18.438 19.000 -0.046 0.000 0.810 117 A HN 0.729 nan 8.150 nan 0.000 0.448 118 E N -1.632 118.454 120.200 -0.190 0.000 2.465 118 E HA 0.306 4.660 4.350 0.007 0.000 0.191 118 E C 0.985 177.143 176.600 -0.737 0.000 1.053 118 E CA 0.222 56.397 56.400 -0.376 0.000 0.869 118 E CB -0.060 29.470 29.700 -0.284 0.000 0.977 118 E HN 0.728 nan 8.360 nan 0.000 0.483 119 G N 1.044 109.566 108.800 -0.463 0.000 2.136 119 G HA2 -0.288 3.677 3.960 0.007 0.000 0.242 119 G HA3 -0.288 3.677 3.960 0.007 0.000 0.242 119 G C -0.095 174.600 174.900 -0.342 0.000 0.989 119 G CA -0.145 44.709 45.100 -0.409 0.000 0.682 119 G HN 0.261 nan 8.290 nan 0.000 0.522 120 F N 0.511 120.481 119.950 0.033 0.000 2.492 120 F HA 0.523 5.054 4.527 0.007 0.000 0.327 120 F C 0.640 176.493 175.800 0.088 0.000 1.079 120 F CA -1.412 56.621 58.000 0.055 0.000 0.967 120 F CB 1.299 40.334 39.000 0.059 0.000 1.169 120 F HN -0.130 nan 8.300 nan 0.000 0.472 121 N N 1.505 120.391 118.700 0.310 0.000 2.493 121 N HA 0.386 5.130 4.740 0.007 0.000 0.275 121 N C -1.581 174.125 175.510 0.328 0.000 1.186 121 N CA -0.162 53.032 53.050 0.241 0.000 0.978 121 N CB 1.857 40.437 38.487 0.156 0.000 1.184 121 N HN 0.468 nan 8.380 nan 0.000 0.487 122 F N 1.293 121.300 119.950 0.095 0.000 2.630 122 F HA 0.475 5.007 4.527 0.007 0.000 0.325 122 F C -1.359 174.477 175.800 0.061 0.000 1.184 122 F CA -0.683 57.364 58.000 0.079 0.000 1.011 122 F CB 0.826 39.877 39.000 0.085 0.000 1.268 122 F HN 0.278 nan 8.300 nan 0.000 0.480 123 I N 5.268 125.536 120.570 -0.502 0.000 2.355 123 I HA 0.441 4.616 4.170 0.007 0.000 0.288 123 I C 0.411 176.109 176.117 -0.698 0.000 0.999 123 I CA -0.811 60.247 61.300 -0.404 0.000 1.163 123 I CB 1.638 39.527 38.000 -0.185 0.000 1.316 123 I HN 0.784 nan 8.210 nan 0.000 0.454 124 G N 3.560 112.006 108.800 -0.590 0.000 2.320 124 G HA2 0.449 4.413 3.960 0.007 0.000 0.300 124 G HA3 0.449 4.413 3.960 0.007 0.000 0.300 124 G C -0.508 173.838 174.900 -0.923 0.000 1.126 124 G CA -0.135 44.529 45.100 -0.727 0.000 0.896 124 G HN 0.460 nan 8.290 nan 0.000 0.436 125 T N 1.139 115.251 114.554 -0.738 0.000 2.861 125 T HA 0.668 5.022 4.350 0.007 0.000 0.287 125 T C 0.609 175.212 174.700 -0.161 0.000 1.003 125 T CA -0.074 61.773 62.100 -0.423 0.000 0.977 125 T CB 1.218 69.968 68.868 -0.196 0.000 0.996 125 T HN 0.683 nan 8.240 nan 0.000 0.448 126 G N 1.976 110.727 108.800 -0.082 0.000 2.476 126 G HA2 0.567 4.531 3.960 0.007 0.000 0.269 126 G HA3 0.567 4.531 3.960 0.007 0.000 0.269 126 G C -1.014 173.888 174.900 0.004 0.000 1.195 126 G CA -0.345 44.792 45.100 0.060 0.000 0.843 126 G HN 0.757 nan 8.290 nan 0.000 0.545 127 V N 0.726 120.645 119.914 0.009 0.000 2.482 127 V HA 0.577 4.701 4.120 0.007 0.000 0.295 127 V C -0.118 175.940 176.094 -0.059 0.000 1.026 127 V CA -0.730 61.558 62.300 -0.020 0.000 0.856 127 V CB 1.514 33.336 31.823 -0.001 0.000 1.001 127 V HN 0.808 nan 8.190 nan 0.000 0.424 128 S N 2.849 118.484 115.700 -0.108 0.000 2.521 128 S HA 0.827 5.302 4.470 0.007 0.000 0.295 128 S C 0.555 175.079 174.600 -0.126 0.000 1.098 128 S CA 0.534 58.625 58.200 -0.181 0.000 0.999 128 S CB 1.671 64.591 63.200 -0.466 0.000 1.034 128 S HN 1.518 nan 8.310 nan 0.000 0.483 129 G N 2.019 110.759 108.800 -0.101 0.000 2.902 129 G HA2 0.348 4.313 3.960 0.007 0.000 0.215 129 G HA3 0.348 4.313 3.960 0.007 0.000 0.215 129 G C 0.996 175.854 174.900 -0.071 0.000 0.976 129 G CA 0.391 45.427 45.100 -0.106 0.000 0.794 129 G HN 1.928 nan 8.290 nan 0.000 0.557 130 G N 0.331 109.111 108.800 -0.033 0.000 2.698 130 G HA2 -0.149 3.816 3.960 0.007 0.000 0.233 130 G HA3 -0.149 3.816 3.960 0.007 0.000 0.233 130 G C 0.613 175.508 174.900 -0.009 0.000 1.352 130 G CA 0.665 45.760 45.100 -0.008 0.000 0.879 130 G HN 0.662 nan 8.290 nan 0.000 0.567 131 E N -0.228 119.972 120.200 0.001 0.000 2.077 131 E HA -0.128 4.226 4.350 0.007 0.000 0.193 131 E C 2.229 178.829 176.600 -0.001 0.000 0.989 131 E CA 1.536 57.936 56.400 0.001 0.000 0.800 131 E CB -0.044 29.658 29.700 0.004 0.000 0.746 131 E HN 0.587 nan 8.360 nan 0.000 0.452 132 E N 0.691 120.891 120.200 -0.000 0.000 2.051 132 E HA -0.140 4.214 4.350 0.007 0.000 0.192 132 E C 2.126 178.717 176.600 -0.014 0.000 0.991 132 E CA 1.585 57.984 56.400 -0.001 0.000 0.799 132 E CB -0.482 29.222 29.700 0.007 0.000 0.748 132 E HN 0.232 nan 8.360 nan 0.000 0.449 133 G N 0.216 108.997 108.800 -0.032 0.000 2.418 133 G HA2 -0.256 3.708 3.960 0.007 0.000 0.217 133 G HA3 -0.256 3.708 3.960 0.007 0.000 0.217 133 G C 1.703 176.589 174.900 -0.024 0.000 1.158 133 G CA 0.973 46.047 45.100 -0.044 0.000 0.771 133 G HN 0.448 nan 8.290 nan 0.000 0.545 134 A N 0.161 122.970 122.820 -0.018 0.000 1.972 134 A HA 0.074 4.398 4.320 0.007 0.000 0.219 134 A C 2.325 179.908 177.584 -0.001 0.000 1.169 134 A CA 1.676 53.707 52.037 -0.009 0.000 0.635 134 A CB -0.291 18.706 19.000 -0.005 0.000 0.810 134 A HN 0.461 nan 8.150 nan 0.000 0.446 135 L N -1.132 120.091 121.223 0.000 0.000 2.127 135 L HA 0.075 4.419 4.340 0.007 0.000 0.203 135 L C 1.981 178.857 176.870 0.010 0.000 1.080 135 L CA 2.000 56.844 54.840 0.007 0.000 0.768 135 L CB -0.179 41.884 42.059 0.008 0.000 0.924 135 L HN 0.255 nan 8.230 nan 0.000 0.444 136 K N -0.987 119.416 120.400 0.005 0.000 2.348 136 K HA 0.445 4.769 4.320 0.007 0.000 0.194 136 K C 0.056 176.660 176.600 0.008 0.000 1.052 136 K CA 0.540 56.832 56.287 0.008 0.000 1.004 136 K CB 0.637 33.141 32.500 0.006 0.000 0.873 136 K HN 0.348 nan 8.250 nan 0.000 0.523 137 G N 3.045 111.845 108.800 -0.000 0.000 2.040 137 G HA2 0.033 3.997 3.960 0.007 0.000 0.195 137 G HA3 0.033 3.997 3.960 0.007 0.000 0.195 137 G C -3.362 171.531 174.900 -0.011 0.000 2.245 137 G CA -0.790 44.311 45.100 0.002 0.000 0.911 137 G HN -0.218 nan 8.290 nan 0.000 0.566 138 P HA 0.642 nan 4.420 nan 0.000 0.288 138 P C -0.205 177.090 177.300 -0.009 0.000 1.297 138 P CA -0.550 62.535 63.100 -0.024 0.000 0.864 138 P CB 2.221 33.905 31.700 -0.026 0.000 1.237 139 S N -0.055 115.635 115.700 -0.017 0.000 2.499 139 S HA 0.505 4.979 4.470 0.007 0.000 0.279 139 S C -0.212 174.387 174.600 -0.001 0.000 1.219 139 S CA -0.671 57.540 58.200 0.018 0.000 1.062 139 S CB -0.847 62.388 63.200 0.058 0.000 0.978 139 S HN 0.197 nan 8.310 nan 0.000 0.489 140 I N 5.120 125.696 120.570 0.009 0.000 2.406 140 I HA 0.373 4.548 4.170 0.007 0.000 0.290 140 I C -0.464 175.633 176.117 -0.034 0.000 0.999 140 I CA -0.423 60.872 61.300 -0.008 0.000 1.124 140 I CB 1.876 39.882 38.000 0.010 0.000 1.289 140 I HN 0.557 nan 8.210 nan 0.000 0.441 141 M N 8.130 127.689 119.600 -0.068 0.000 2.066 141 M HA 0.338 4.822 4.480 0.007 0.000 0.264 141 M C -2.772 173.395 176.300 -0.221 0.000 0.886 141 M CA -1.502 53.716 55.300 -0.135 0.000 0.810 141 M CB 1.082 33.638 32.600 -0.073 0.000 1.451 141 M HN 0.146 nan 8.290 nan 0.000 0.373 142 P HA 0.504 nan 4.420 nan 0.000 0.294 142 P C -0.421 176.625 177.300 -0.423 0.000 1.294 142 P CA -0.031 62.897 63.100 -0.286 0.000 0.827 142 P CB 1.923 33.560 31.700 -0.104 0.000 0.992 143 G N 0.656 109.217 108.800 -0.397 0.000 2.571 143 G HA2 0.759 4.723 3.960 0.007 0.000 0.304 143 G HA3 0.759 4.723 3.960 0.007 0.000 0.304 143 G C -0.572 174.221 174.900 -0.179 0.000 1.314 143 G CA -0.697 44.151 45.100 -0.420 0.000 0.975 143 G HN 0.776 nan 8.290 nan 0.000 0.485 144 G N -0.251 108.541 108.800 -0.012 0.000 2.373 144 G HA2 0.322 4.286 3.960 0.007 0.000 0.250 144 G HA3 0.322 4.286 3.960 0.007 0.000 0.250 144 G C -1.199 173.837 174.900 0.227 0.000 1.304 144 G CA -0.911 44.252 45.100 0.105 0.000 0.948 144 G HN 0.760 nan 8.290 nan 0.000 0.474 145 Q N 0.588 120.492 119.800 0.174 0.000 2.289 145 Q HA 0.395 4.740 4.340 0.007 0.000 0.273 145 Q C 1.453 177.495 176.000 0.069 0.000 1.029 145 Q CA 0.306 56.186 55.803 0.129 0.000 0.896 145 Q CB 1.557 30.350 28.738 0.092 0.000 1.182 145 Q HN 0.604 nan 8.270 nan 0.000 0.385 146 K N 2.356 122.691 120.400 -0.109 0.000 2.103 146 K HA -0.244 4.080 4.320 0.007 0.000 0.207 146 K C 0.769 177.250 176.600 -0.198 0.000 1.048 146 K CA 1.543 57.528 56.287 -0.504 0.000 0.930 146 K CB 0.340 32.410 32.500 -0.716 0.000 0.716 146 K HN 0.565 nan 8.250 nan 0.000 0.444 147 E N 0.141 120.281 120.200 -0.101 0.000 2.110 147 E HA -0.148 4.207 4.350 0.007 0.000 0.193 147 E C 1.768 178.343 176.600 -0.042 0.000 0.988 147 E CA 1.297 57.659 56.400 -0.064 0.000 0.804 147 E CB -0.169 29.508 29.700 -0.038 0.000 0.745 147 E HN 0.405 nan 8.360 nan 0.000 0.458 148 A N 0.248 123.067 122.820 -0.002 0.000 1.873 148 A HA -0.197 4.128 4.320 0.007 0.000 0.215 148 A C 2.134 179.715 177.584 -0.005 0.000 1.186 148 A CA 1.451 53.494 52.037 0.009 0.000 0.616 148 A CB -0.895 18.134 19.000 0.049 0.000 0.823 148 A HN 0.414 nan 8.150 nan 0.000 0.442 149 Y N 1.246 121.512 120.300 -0.058 0.000 2.128 149 Y HA -0.236 4.319 4.550 0.007 0.000 0.284 149 Y C 2.180 178.040 175.900 -0.066 0.000 1.154 149 Y CA 2.293 60.368 58.100 -0.042 0.000 1.149 149 Y CB -0.366 38.102 38.460 0.013 0.000 0.976 149 Y HN 0.485 nan 8.280 nan 0.000 0.505 150 E N -0.203 119.832 120.200 -0.275 0.000 2.153 150 E HA -0.207 4.147 4.350 0.007 0.000 0.194 150 E C 2.091 178.524 176.600 -0.278 0.000 0.988 150 E CA 1.148 57.349 56.400 -0.332 0.000 0.811 150 E CB -0.352 29.264 29.700 -0.139 0.000 0.746 150 E HN 0.467 nan 8.360 nan 0.000 0.466 151 L N 0.610 121.717 121.223 -0.194 0.000 2.017 151 L HA -0.112 4.232 4.340 0.007 0.000 0.208 151 L C 2.233 178.998 176.870 -0.175 0.000 1.073 151 L CA 1.313 56.066 54.840 -0.144 0.000 0.745 151 L CB -0.177 41.828 42.059 -0.091 0.000 0.894 151 L HN -0.025 nan 8.230 nan 0.000 0.432 152 V N -0.626 119.153 119.914 -0.225 0.000 3.541 152 V HA 0.096 4.220 4.120 0.007 0.000 0.267 152 V C 2.390 178.305 176.094 -0.298 0.000 1.213 152 V CA 0.923 63.090 62.300 -0.221 0.000 1.149 152 V CB -0.078 31.648 31.823 -0.162 0.000 0.822 152 V HN 0.532 nan 8.190 nan 0.000 0.462 153 A N 1.007 123.535 122.820 -0.486 0.000 2.024 153 A HA -0.082 4.243 4.320 0.007 0.000 0.220 153 A C 0.250 177.705 177.584 -0.215 0.000 1.164 153 A CA 1.914 53.653 52.037 -0.497 0.000 0.643 153 A CB -1.609 16.951 19.000 -0.733 0.000 0.806 153 A HN 0.585 nan 8.150 nan 0.000 0.451 154 P HA -0.121 nan 4.420 nan 0.000 0.217 154 P C 1.349 178.641 177.300 -0.013 0.000 1.150 154 P CA 0.909 63.980 63.100 -0.049 0.000 0.832 154 P CB -0.064 31.628 31.700 -0.012 0.000 0.787 155 I N -1.506 118.999 120.570 -0.107 0.000 2.233 155 I HA -0.176 3.998 4.170 0.007 0.000 0.243 155 I C 2.231 178.283 176.117 -0.107 0.000 1.093 155 I CA 1.170 62.347 61.300 -0.206 0.000 1.380 155 I CB -0.696 37.043 38.000 -0.435 0.000 1.067 155 I HN -0.140 nan 8.210 nan 0.000 0.413 156 L N 0.563 121.725 121.223 -0.102 0.000 2.131 156 L HA -0.195 4.150 4.340 0.007 0.000 0.210 156 L C 2.795 179.669 176.870 0.006 0.000 1.092 156 L CA 1.922 56.740 54.840 -0.036 0.000 0.759 156 L CB -1.243 40.816 42.059 0.000 0.000 0.903 156 L HN 0.455 nan 8.230 nan 0.000 0.435 157 T N -3.220 111.338 114.554 0.007 0.000 2.951 157 T HA -0.148 4.206 4.350 0.007 0.000 0.268 157 T C 1.788 176.512 174.700 0.041 0.000 1.073 157 T CA 0.793 62.913 62.100 0.033 0.000 1.134 157 T CB -0.116 68.770 68.868 0.030 0.000 0.884 157 T HN 0.278 nan 8.240 nan 0.000 0.479 158 K N 0.887 121.319 120.400 0.054 0.000 2.296 158 K HA 0.239 4.563 4.320 0.007 0.000 0.200 158 K C 2.115 178.756 176.600 0.069 0.000 1.048 158 K CA 1.044 57.379 56.287 0.079 0.000 0.966 158 K CB -0.180 32.412 32.500 0.154 0.000 0.754 158 K HN 0.658 nan 8.250 nan 0.000 0.466 159 I N -2.698 117.901 120.570 0.049 0.000 3.603 159 I HA 0.199 4.373 4.170 0.007 0.000 0.297 159 I C 0.746 176.879 176.117 0.027 0.000 1.269 159 I CA -0.434 60.889 61.300 0.038 0.000 1.361 159 I CB 0.088 38.101 38.000 0.022 0.000 1.063 159 I HN -0.213 nan 8.210 nan 0.000 0.448 160 A N 1.907 124.744 122.820 0.029 0.000 2.332 160 A HA 0.724 5.049 4.320 0.007 0.000 0.258 160 A C 0.748 178.348 177.584 0.026 0.000 1.087 160 A CA 0.051 52.104 52.037 0.026 0.000 0.802 160 A CB 0.154 19.174 19.000 0.033 0.000 1.042 160 A HN 0.485 nan 8.150 nan 0.000 0.489 161 A N 0.305 123.139 122.820 0.022 0.000 2.429 161 A HA 0.496 4.820 4.320 0.007 0.000 0.242 161 A C -0.015 177.589 177.584 0.034 0.000 1.088 161 A CA 0.029 52.080 52.037 0.023 0.000 0.784 161 A CB -0.062 18.949 19.000 0.018 0.000 1.038 161 A HN 1.232 nan 8.150 nan 0.000 0.501 162 V N 0.757 120.692 119.914 0.035 0.000 2.540 162 V HA 0.599 4.723 4.120 0.007 0.000 0.302 162 V C 0.731 176.852 176.094 0.044 0.000 1.035 162 V CA -0.263 62.060 62.300 0.038 0.000 0.873 162 V CB 1.109 32.952 31.823 0.033 0.000 0.992 162 V HN 1.287 nan 8.190 nan 0.000 0.428 163 A N 2.976 125.825 122.820 0.049 0.000 2.280 163 A HA 0.431 4.756 4.320 0.007 0.000 0.268 163 A C 1.169 178.781 177.584 0.047 0.000 1.111 163 A CA -0.194 51.877 52.037 0.056 0.000 0.814 163 A CB 0.149 19.185 19.000 0.060 0.000 1.093 163 A HN 0.843 nan 8.150 nan 0.000 0.498 164 E N 0.439 120.669 120.200 0.049 0.000 2.265 164 E HA -0.173 4.182 4.350 0.007 0.000 0.196 164 E C 0.639 177.259 176.600 0.032 0.000 0.996 164 E CA 1.436 57.861 56.400 0.041 0.000 0.832 164 E CB -0.221 29.504 29.700 0.042 0.000 0.756 164 E HN 0.785 nan 8.360 nan 0.000 0.491 165 D N -0.796 119.624 120.400 0.032 0.000 2.328 165 D HA 0.065 4.710 4.640 0.007 0.000 0.226 165 D C 1.274 177.589 176.300 0.025 0.000 1.066 165 D CA 0.616 54.632 54.000 0.026 0.000 0.861 165 D CB 0.009 40.823 40.800 0.024 0.000 0.912 165 D HN 0.154 nan 8.370 nan 0.000 0.521 166 G N 0.011 108.827 108.800 0.028 0.000 2.179 166 G HA2 -0.304 3.660 3.960 0.007 0.000 0.260 166 G HA3 -0.304 3.660 3.960 0.007 0.000 0.260 166 G C -0.052 174.865 174.900 0.028 0.000 0.977 166 G CA 0.071 45.187 45.100 0.026 0.000 0.641 166 G HN 0.468 nan 8.290 nan 0.000 0.533 167 E N 2.032 122.251 120.200 0.031 0.000 2.259 167 E HA 0.367 4.721 4.350 0.007 0.000 0.281 167 E C -2.197 174.425 176.600 0.036 0.000 1.027 167 E CA -1.826 54.593 56.400 0.032 0.000 0.838 167 E CB 1.211 30.929 29.700 0.030 0.000 1.066 167 E HN 0.162 nan 8.360 nan 0.000 0.401 168 P HA -0.027 nan 4.420 nan 0.000 0.268 168 P C -0.343 176.982 177.300 0.042 0.000 1.205 168 P CA -0.161 62.964 63.100 0.041 0.000 0.771 168 P CB 0.495 32.221 31.700 0.044 0.000 0.858 169 C N 3.845 123.171 119.300 0.044 0.000 3.057 169 C HA 0.357 4.822 4.460 0.007 0.000 0.563 169 C C 0.745 175.756 174.990 0.036 0.000 1.129 169 C CA -0.110 58.936 59.018 0.046 0.000 1.284 169 C CB -1.822 25.957 27.740 0.066 0.000 1.532 169 C HN 0.370 nan 8.230 nan 0.000 0.631 170 V N 1.031 120.967 119.914 0.035 0.000 2.891 170 V HA 0.832 4.956 4.120 0.007 0.000 0.304 170 V C -0.673 175.448 176.094 0.044 0.000 1.171 170 V CA 0.249 62.573 62.300 0.041 0.000 0.943 170 V CB 2.609 34.485 31.823 0.089 0.000 1.037 170 V HN 0.485 nan 8.190 nan 0.000 0.427 171 T N 4.345 118.878 114.554 -0.034 0.000 2.840 171 T HA 0.401 4.755 4.350 0.007 0.000 0.317 171 T C -1.869 172.621 174.700 -0.350 0.000 1.401 171 T CA -0.337 61.716 62.100 -0.079 0.000 1.028 171 T CB 1.296 70.109 68.868 -0.093 0.000 1.317 171 T HN 0.911 nan 8.240 nan 0.000 0.495 172 Y N 5.213 125.125 120.300 -0.646 0.000 2.605 172 Y HA 0.268 4.822 4.550 0.007 0.000 0.336 172 Y C 1.136 176.740 175.900 -0.495 0.000 1.111 172 Y CA -0.588 56.967 58.100 -0.909 0.000 1.422 172 Y CB 0.043 38.092 38.460 -0.684 0.000 1.193 172 Y HN 0.547 nan 8.280 nan 0.000 0.526 173 I N 4.503 124.489 120.570 -0.974 0.000 2.400 173 I HA 0.153 4.327 4.170 0.007 0.000 0.248 173 I C 1.320 176.867 176.117 -0.952 0.000 1.109 173 I CA 1.498 62.320 61.300 -0.796 0.000 1.425 173 I CB -1.160 36.455 38.000 -0.642 0.000 1.094 173 I HN 0.781 nan 8.210 nan 0.000 0.425 174 G N -0.550 107.404 108.800 -1.410 0.000 2.327 174 G HA2 0.479 4.443 3.960 0.007 0.000 0.291 174 G HA3 0.479 4.443 3.960 0.007 0.000 0.291 174 G C -1.308 173.200 174.900 -0.654 0.000 1.290 174 G CA -0.198 44.339 45.100 -0.938 0.000 0.857 174 G HN 0.329 nan 8.290 nan 0.000 0.520 175 A N -0.457 122.271 122.820 -0.153 0.000 2.296 175 A HA 0.643 4.968 4.320 0.007 0.000 0.264 175 A C 1.253 178.854 177.584 0.028 0.000 1.097 175 A CA 1.331 53.419 52.037 0.085 0.000 0.811 175 A CB -0.435 18.713 19.000 0.247 0.000 1.072 175 A HN 2.393 nan 8.150 nan 0.000 0.495 176 D N -0.234 120.247 120.400 0.134 0.000 4.078 176 D HA -0.315 4.329 4.640 0.007 0.000 0.196 176 D C 1.052 177.396 176.300 0.073 0.000 0.717 176 D CA 2.232 56.334 54.000 0.170 0.000 0.950 176 D CB -1.324 39.636 40.800 0.268 0.000 0.423 176 D HN 0.997 nan 8.370 nan 0.000 0.373 177 G N -0.721 108.192 108.800 0.189 0.000 3.181 177 G HA2 0.385 4.349 3.960 0.007 0.000 0.219 177 G HA3 0.385 4.349 3.960 0.007 0.000 0.219 177 G C 1.337 176.046 174.900 -0.317 0.000 1.182 177 G CA 0.788 45.963 45.100 0.126 0.000 0.791 177 G HN 0.784 nan 8.290 nan 0.000 0.537 178 A N 0.893 123.114 122.820 -0.999 0.000 1.940 178 A HA 0.094 4.418 4.320 0.007 0.000 0.219 178 A C 2.604 179.688 177.584 -0.835 0.000 1.176 178 A CA 2.037 53.027 52.037 -1.746 0.000 0.631 178 A CB -0.750 17.114 19.000 -1.892 0.000 0.814 178 A HN 0.442 nan 8.150 nan 0.000 0.446 179 G N -1.478 106.971 108.800 -0.584 0.000 2.421 179 G HA2 -0.251 3.713 3.960 0.007 0.000 0.216 179 G HA3 -0.251 3.713 3.960 0.007 0.000 0.216 179 G C 1.512 176.279 174.900 -0.223 0.000 1.171 179 G CA 1.101 45.954 45.100 -0.412 0.000 0.775 179 G HN 0.622 nan 8.290 nan 0.000 0.543 180 H N -1.314 117.673 119.070 -0.139 0.000 2.457 180 H HA -0.023 4.537 4.556 0.007 0.000 0.294 180 H C 2.035 177.346 175.328 -0.029 0.000 1.064 180 H CA 0.931 56.964 56.048 -0.025 0.000 1.330 180 H CB -0.290 29.499 29.762 0.045 0.000 1.395 180 H HN 0.503 nan 8.280 nan 0.000 0.541 181 Y N 0.756 120.981 120.300 -0.124 0.000 2.200 181 Y HA -0.181 4.374 4.550 0.008 0.000 0.290 181 Y C 2.461 178.263 175.900 -0.164 0.000 1.137 181 Y CA 1.064 58.993 58.100 -0.285 0.000 1.163 181 Y CB -0.196 37.927 38.460 -0.561 0.000 0.988 181 Y HN -0.111 nan 8.280 nan 0.000 0.518 182 V N 0.501 120.405 119.914 -0.017 0.000 2.427 182 V HA -0.253 3.872 4.120 0.007 0.000 0.248 182 V C 2.243 178.391 176.094 0.090 0.000 1.051 182 V CA 2.107 64.424 62.300 0.027 0.000 1.048 182 V CB -0.572 31.216 31.823 -0.057 0.000 0.666 182 V HN 0.242 nan 8.190 nan 0.000 0.456 183 K N 0.531 120.973 120.400 0.070 0.000 2.097 183 K HA -0.145 4.179 4.320 0.007 0.000 0.205 183 K C 2.119 178.770 176.600 0.086 0.000 1.050 183 K CA 1.799 58.150 56.287 0.107 0.000 0.938 183 K CB -0.468 32.106 32.500 0.124 0.000 0.718 183 K HN 0.427 nan 8.250 nan 0.000 0.442 184 M N -0.211 119.408 119.600 0.031 0.000 2.080 184 M HA -0.173 4.312 4.480 0.007 0.000 0.260 184 M C 1.602 177.829 176.300 -0.122 0.000 1.068 184 M CA 1.839 57.133 55.300 -0.009 0.000 1.109 184 M CB -0.079 32.511 32.600 -0.016 0.000 1.342 184 M HN 0.036 nan 8.290 nan 0.000 0.405 185 V N 0.203 120.010 119.914 -0.178 0.000 2.407 185 V HA -0.296 3.829 4.120 0.007 0.000 0.248 185 V C 2.349 178.335 176.094 -0.180 0.000 1.055 185 V CA 2.409 64.597 62.300 -0.186 0.000 1.049 185 V CB -1.323 30.411 31.823 -0.148 0.000 0.662 185 V HN 0.679 nan 8.190 nan 0.000 0.455 186 H N 1.026 119.991 119.070 -0.175 0.000 2.319 186 H HA -0.198 4.362 4.556 0.007 0.000 0.297 186 H C 2.189 177.362 175.328 -0.258 0.000 1.097 186 H CA 2.451 58.300 56.048 -0.332 0.000 1.285 186 H CB -0.082 29.460 29.762 -0.366 0.000 1.368 186 H HN 0.365 nan 8.280 nan 0.000 0.495 187 N N -0.232 118.397 118.700 -0.118 0.000 2.244 187 N HA -0.063 4.681 4.740 0.007 0.000 0.183 187 N C 2.106 177.434 175.510 -0.303 0.000 1.016 187 N CA 1.132 54.104 53.050 -0.129 0.000 0.866 187 N CB -0.771 37.690 38.487 -0.043 0.000 0.980 187 N HN 0.580 nan 8.380 nan 0.000 0.430 188 G N 0.849 109.424 108.800 -0.375 0.000 2.418 188 G HA2 -0.159 3.805 3.960 0.007 0.000 0.217 188 G HA3 -0.159 3.805 3.960 0.007 0.000 0.217 188 G C 1.580 176.292 174.900 -0.313 0.000 1.158 188 G CA 0.383 45.220 45.100 -0.438 0.000 0.771 188 G HN 0.270 nan 8.290 nan 0.000 0.545 189 I N 0.571 120.925 120.570 -0.359 0.000 2.208 189 I HA -0.185 3.989 4.170 0.007 0.000 0.245 189 I C 2.682 178.629 176.117 -0.284 0.000 1.097 189 I CA 1.549 62.604 61.300 -0.409 0.000 1.363 189 I CB -0.202 37.421 38.000 -0.628 0.000 1.051 189 I HN 0.330 nan 8.210 nan 0.000 0.413 190 E N 0.637 120.656 120.200 -0.302 0.000 2.077 190 E HA -0.263 4.091 4.350 0.007 0.000 0.193 190 E C 2.298 178.921 176.600 0.039 0.000 0.989 190 E CA 1.549 57.866 56.400 -0.139 0.000 0.800 190 E CB -0.128 29.482 29.700 -0.149 0.000 0.746 190 E HN 0.412 nan 8.360 nan 0.000 0.452 191 Y N 0.354 120.550 120.300 -0.172 0.000 2.165 191 Y HA -0.105 4.449 4.550 0.007 0.000 0.286 191 Y C 2.482 178.307 175.900 -0.125 0.000 1.155 191 Y CA 1.436 59.452 58.100 -0.140 0.000 1.164 191 Y CB -1.020 37.341 38.460 -0.164 0.000 0.978 191 Y HN 0.193 nan 8.280 nan 0.000 0.513 192 G N -0.557 108.264 108.800 0.036 0.000 2.418 192 G HA2 -0.228 3.736 3.960 0.007 0.000 0.217 192 G HA3 -0.228 3.736 3.960 0.007 0.000 0.217 192 G C 1.353 176.258 174.900 0.008 0.000 1.158 192 G CA 1.181 46.274 45.100 -0.013 0.000 0.771 192 G HN 0.275 nan 8.290 nan 0.000 0.545 193 D N 0.376 120.795 120.400 0.031 0.000 2.144 193 D HA -0.051 4.594 4.640 0.007 0.000 0.199 193 D C 2.616 178.938 176.300 0.037 0.000 0.984 193 D CA 0.765 54.807 54.000 0.069 0.000 0.834 193 D CB -0.219 40.645 40.800 0.107 0.000 0.955 193 D HN 0.313 nan 8.370 nan 0.000 0.465 194 M N -0.152 119.450 119.600 0.003 0.000 2.132 194 M HA -0.171 4.313 4.480 0.007 0.000 0.263 194 M C 2.188 178.472 176.300 -0.026 0.000 1.065 194 M CA 1.133 56.416 55.300 -0.029 0.000 1.122 194 M CB -0.082 32.471 32.600 -0.079 0.000 1.365 194 M HN -0.122 nan 8.290 nan 0.000 0.411 195 Q N 1.006 120.783 119.800 -0.039 0.000 2.119 195 Q HA -0.070 4.274 4.340 0.007 0.000 0.201 195 Q C 1.720 177.661 176.000 -0.098 0.000 0.972 195 Q CA 1.654 57.423 55.803 -0.057 0.000 0.847 195 Q CB -0.416 28.284 28.738 -0.064 0.000 0.903 195 Q HN 0.526 nan 8.270 nan 0.000 0.433 196 L N -0.443 120.723 121.223 -0.095 0.000 2.017 196 L HA -0.160 4.184 4.340 0.007 0.000 0.208 196 L C 2.328 179.190 176.870 -0.014 0.000 1.073 196 L CA 1.146 55.883 54.840 -0.172 0.000 0.745 196 L CB -0.427 41.619 42.059 -0.021 0.000 0.894 196 L HN 0.262 nan 8.230 nan 0.000 0.432 197 I N -0.305 120.332 120.570 0.111 0.000 2.286 197 I HA -0.297 3.877 4.170 0.007 0.000 0.248 197 I C 2.748 179.033 176.117 0.281 0.000 1.115 197 I CA 1.129 62.582 61.300 0.255 0.000 1.392 197 I CB -0.422 37.666 38.000 0.146 0.000 1.065 197 I HN 0.219 nan 8.210 nan 0.000 0.418 198 A N 0.358 123.274 122.820 0.159 0.000 1.933 198 A HA -0.225 4.100 4.320 0.007 0.000 0.218 198 A C 2.199 179.907 177.584 0.208 0.000 1.175 198 A CA 1.666 53.840 52.037 0.227 0.000 0.628 198 A CB -0.521 18.549 19.000 0.117 0.000 0.814 198 A HN 0.440 nan 8.150 nan 0.000 0.444 199 E N -0.302 119.923 120.200 0.041 0.000 2.072 199 E HA -0.074 4.281 4.350 0.007 0.000 0.191 199 E C 2.331 179.078 176.600 0.245 0.000 0.985 199 E CA 0.851 57.250 56.400 -0.001 0.000 0.801 199 E CB -0.279 29.157 29.700 -0.440 0.000 0.750 199 E HN 0.619 nan 8.360 nan 0.000 0.452 200 A N 1.037 124.080 122.820 0.371 0.000 1.908 200 A HA -0.236 4.089 4.320 0.007 0.000 0.218 200 A C 2.084 179.943 177.584 0.460 0.000 1.181 200 A CA 1.558 53.913 52.037 0.529 0.000 0.627 200 A CB -0.808 18.589 19.000 0.663 0.000 0.818 200 A HN 0.431 nan 8.150 nan 0.000 0.445 201 Y N 1.307 121.830 120.300 0.371 0.000 2.128 201 Y HA -0.189 4.365 4.550 0.007 0.000 0.284 201 Y C 2.636 178.644 175.900 0.180 0.000 1.154 201 Y CA 1.458 59.729 58.100 0.286 0.000 1.149 201 Y CB -0.944 37.733 38.460 0.361 0.000 0.976 201 Y HN 0.273 nan 8.280 nan 0.000 0.505 202 S N 0.549 116.252 115.700 0.005 0.000 2.365 202 S HA -0.222 4.253 4.470 0.007 0.000 0.225 202 S C 2.135 176.754 174.600 0.033 0.000 1.039 202 S CA 1.872 60.002 58.200 -0.117 0.000 1.033 202 S CB -0.641 62.557 63.200 -0.003 0.000 0.887 202 S HN 0.506 nan 8.310 nan 0.000 0.447 203 L N 0.644 121.983 121.223 0.195 0.000 2.072 203 L HA -0.032 4.312 4.340 0.007 0.000 0.205 203 L C 2.204 179.283 176.870 0.348 0.000 1.079 203 L CA 0.907 55.946 54.840 0.332 0.000 0.752 203 L CB -0.466 41.864 42.059 0.451 0.000 0.906 203 L HN 0.278 nan 8.230 nan 0.000 0.436 204 L N -0.253 121.131 121.223 0.268 0.000 2.093 204 L HA -0.208 4.137 4.340 0.007 0.000 0.208 204 L C 2.656 179.574 176.870 0.081 0.000 1.085 204 L CA 1.277 56.236 54.840 0.200 0.000 0.755 204 L CB -0.452 41.631 42.059 0.040 0.000 0.904 204 L HN 0.248 nan 8.230 nan 0.000 0.435 205 K N 0.232 120.647 120.400 0.026 0.000 2.044 205 K HA -0.085 4.239 4.320 0.007 0.000 0.204 205 K C 2.027 178.608 176.600 -0.032 0.000 1.049 205 K CA 1.292 57.557 56.287 -0.037 0.000 0.945 205 K CB -0.191 32.233 32.500 -0.126 0.000 0.724 205 K HN 0.263 nan 8.250 nan 0.000 0.440 206 G N -0.555 108.232 108.800 -0.022 0.000 2.453 206 G HA2 -0.074 3.890 3.960 0.007 0.000 0.215 206 G HA3 -0.074 3.890 3.960 0.007 0.000 0.215 206 G C 1.375 176.287 174.900 0.019 0.000 1.147 206 G CA 0.601 45.694 45.100 -0.011 0.000 0.802 206 G HN 0.464 nan 8.290 nan 0.000 0.535 207 G N 0.309 109.149 108.800 0.068 0.000 2.441 207 G HA2 0.095 4.059 3.960 0.007 0.000 0.212 207 G HA3 0.095 4.059 3.960 0.007 0.000 0.212 207 G C 1.479 176.303 174.900 -0.126 0.000 1.164 207 G CA 0.086 45.205 45.100 0.030 0.000 0.811 207 G HN 0.356 nan 8.290 nan 0.000 0.535 208 L N 0.078 121.248 121.223 -0.088 0.000 2.693 208 L HA 0.222 4.566 4.340 0.007 0.000 0.235 208 L C 0.323 177.159 176.870 -0.057 0.000 1.127 208 L CA -0.160 54.621 54.840 -0.099 0.000 0.914 208 L CB 0.049 42.089 42.059 -0.032 0.000 1.193 208 L HN 0.116 nan 8.230 nan 0.000 0.502 209 N N 1.160 119.837 118.700 -0.040 0.000 2.727 209 N HA -0.179 4.566 4.740 0.007 0.000 0.249 209 N C -0.178 175.305 175.510 -0.045 0.000 1.048 209 N CA 0.728 53.755 53.050 -0.038 0.000 0.714 209 N CB -1.577 36.888 38.487 -0.036 0.000 0.959 209 N HN 0.313 nan 8.380 nan 0.000 0.544 210 L N 0.567 121.758 121.223 -0.053 0.000 2.456 210 L HA 0.129 4.473 4.340 0.007 0.000 0.272 210 L C 1.726 178.539 176.870 -0.095 0.000 1.189 210 L CA 0.014 54.805 54.840 -0.081 0.000 0.846 210 L CB 0.407 42.397 42.059 -0.114 0.000 1.111 210 L HN 0.233 nan 8.230 nan 0.000 0.475 211 T N -1.505 112.987 114.554 -0.102 0.000 2.788 211 T HA 0.107 4.461 4.350 0.007 0.000 0.287 211 T C 1.074 175.651 174.700 -0.204 0.000 1.007 211 T CA -0.754 61.274 62.100 -0.120 0.000 1.005 211 T CB 0.759 69.578 68.868 -0.082 0.000 1.012 211 T HN 0.472 nan 8.240 nan 0.000 0.530 212 N N 0.683 119.204 118.700 -0.299 0.000 2.166 212 N HA -0.098 4.646 4.740 0.007 0.000 0.186 212 N C 1.761 177.132 175.510 -0.232 0.000 1.019 212 N CA 0.901 53.724 53.050 -0.377 0.000 0.856 212 N CB -0.375 37.656 38.487 -0.760 0.000 0.993 212 N HN 0.604 nan 8.380 nan 0.000 0.426 213 E N 1.209 121.321 120.200 -0.147 0.000 2.072 213 E HA -0.118 4.237 4.350 0.007 0.000 0.191 213 E C 1.706 178.264 176.600 -0.071 0.000 0.985 213 E CA 0.745 57.130 56.400 -0.025 0.000 0.801 213 E CB -0.166 29.559 29.700 0.041 0.000 0.750 213 E HN 0.549 nan 8.360 nan 0.000 0.452 214 E N 0.374 120.506 120.200 -0.113 0.000 2.150 214 E HA -0.089 4.265 4.350 0.007 0.000 0.193 214 E C 2.270 178.740 176.600 -0.217 0.000 0.985 214 E CA 0.406 56.722 56.400 -0.140 0.000 0.814 214 E CB -0.045 29.578 29.700 -0.128 0.000 0.752 214 E HN 0.181 nan 8.360 nan 0.000 0.466 215 L N 0.535 121.590 121.223 -0.280 0.000 2.027 215 L HA -0.160 4.185 4.340 0.007 0.000 0.206 215 L C 2.592 179.358 176.870 -0.173 0.000 1.074 215 L CA 0.998 55.598 54.840 -0.400 0.000 0.745 215 L CB -0.428 41.132 42.059 -0.832 0.000 0.898 215 L HN 0.148 nan 8.230 nan 0.000 0.433 216 A N -0.523 122.265 122.820 -0.054 0.000 1.902 216 A HA -0.258 4.066 4.320 0.007 0.000 0.217 216 A C 2.203 179.796 177.584 0.014 0.000 1.181 216 A CA 1.594 53.691 52.037 0.100 0.000 0.623 216 A CB -0.477 18.593 19.000 0.117 0.000 0.818 216 A HN 0.476 nan 8.150 nan 0.000 0.443 217 Q N -0.996 118.766 119.800 -0.063 0.000 2.050 217 Q HA -0.137 4.207 4.340 0.007 0.000 0.202 217 Q C 2.240 178.129 176.000 -0.185 0.000 0.980 217 Q CA 2.001 57.750 55.803 -0.089 0.000 0.840 217 Q CB -0.431 28.251 28.738 -0.094 0.000 0.898 217 Q HN 0.678 nan 8.270 nan 0.000 0.424 218 T N 0.591 114.936 114.554 -0.349 0.000 2.708 218 T HA -0.129 4.226 4.350 0.007 0.000 0.266 218 T C 1.421 175.589 174.700 -0.887 0.000 1.037 218 T CA 1.182 62.867 62.100 -0.693 0.000 1.146 218 T CB -0.334 67.970 68.868 -0.940 0.000 0.865 218 T HN 0.145 nan 8.240 nan 0.000 0.435 219 F N 1.715 121.325 119.950 -0.566 0.000 2.171 219 F HA -0.083 4.448 4.527 0.007 0.000 0.300 219 F C 2.803 178.539 175.800 -0.106 0.000 1.090 219 F CA 0.903 58.702 58.000 -0.335 0.000 1.293 219 F CB -1.181 37.735 39.000 -0.141 0.000 1.013 219 F HN 0.109 nan 8.300 nan 0.000 0.486 220 T N -0.904 113.687 114.554 0.061 0.000 2.746 220 T HA -0.239 4.115 4.350 0.007 0.000 0.267 220 T C 1.901 176.640 174.700 0.064 0.000 1.039 220 T CA 1.605 63.745 62.100 0.067 0.000 1.142 220 T CB -0.286 68.603 68.868 0.035 0.000 0.866 220 T HN 0.350 nan 8.240 nan 0.000 0.444 221 E N -0.581 119.620 120.200 0.002 0.000 2.106 221 E HA -0.138 4.217 4.350 0.007 0.000 0.192 221 E C 1.849 178.580 176.600 0.218 0.000 0.984 221 E CA 0.921 57.360 56.400 0.065 0.000 0.806 221 E CB -0.024 29.686 29.700 0.017 0.000 0.750 221 E HN 0.526 nan 8.360 nan 0.000 0.458 222 W N 1.066 122.357 121.300 -0.014 0.000 2.363 222 W HA -0.055 4.610 4.660 0.008 0.000 0.296 222 W C 2.021 178.555 176.519 0.026 0.000 1.212 222 W CA 0.710 58.046 57.345 -0.014 0.000 1.260 222 W CB -1.245 28.208 29.460 -0.011 0.000 1.131 222 W HN 0.187 nan 8.180 nan 0.000 0.530 223 N N 0.578 119.460 118.700 0.303 0.000 2.453 223 N HA -0.172 4.572 4.740 0.007 0.000 0.183 223 N C 1.340 176.931 175.510 0.136 0.000 1.041 223 N CA 1.132 54.304 53.050 0.203 0.000 0.900 223 N CB -0.507 38.085 38.487 0.174 0.000 0.961 223 N HN 0.060 nan 8.380 nan 0.000 0.443 224 N N -0.740 118.033 118.700 0.121 0.000 2.331 224 N HA 0.009 4.753 4.740 0.007 0.000 0.180 224 N C 0.874 176.421 175.510 0.062 0.000 1.019 224 N CA 0.975 54.074 53.050 0.082 0.000 0.881 224 N CB -0.128 38.401 38.487 0.070 0.000 0.972 224 N HN 0.216 nan 8.380 nan 0.000 0.435 225 G N -0.144 108.689 108.800 0.055 0.000 2.773 225 G HA2 0.075 4.039 3.960 0.007 0.000 0.186 225 G HA3 0.075 4.039 3.960 0.007 0.000 0.186 225 G C 0.518 175.401 174.900 -0.028 0.000 1.411 225 G CA 0.169 45.272 45.100 0.004 0.000 1.054 225 G HN 0.412 nan 8.290 nan 0.000 0.579 226 E N -0.386 119.740 120.200 -0.124 0.000 2.265 226 E HA -0.083 4.271 4.350 0.007 0.000 0.196 226 E C 2.093 178.592 176.600 -0.167 0.000 0.996 226 E CA 0.652 56.940 56.400 -0.187 0.000 0.832 226 E CB -0.203 29.246 29.700 -0.418 0.000 0.756 226 E HN 0.334 nan 8.360 nan 0.000 0.491 227 L N 1.634 122.759 121.223 -0.164 0.000 2.552 227 L HA 0.017 4.361 4.340 0.007 0.000 0.227 227 L C 1.234 178.171 176.870 0.112 0.000 1.146 227 L CA -0.161 54.681 54.840 0.003 0.000 0.858 227 L CB -0.068 42.000 42.059 0.014 0.000 0.969 227 L HN 0.024 nan 8.230 nan 0.000 0.451 228 S N 0.564 116.330 115.700 0.110 0.000 3.298 228 S HA 0.010 4.484 4.470 0.007 0.000 0.389 228 S C 0.186 174.885 174.600 0.165 0.000 1.186 228 S CA 0.375 58.657 58.200 0.136 0.000 1.034 228 S CB -0.207 63.063 63.200 0.117 0.000 0.735 228 S HN 0.473 nan 8.310 nan 0.000 0.510 229 S N 4.546 120.347 115.700 0.169 0.000 2.567 229 S HA 0.316 4.790 4.470 0.007 0.000 0.270 229 S C -0.083 174.631 174.600 0.190 0.000 1.152 229 S CA -0.714 57.602 58.200 0.194 0.000 0.835 229 S CB 0.449 63.760 63.200 0.184 0.000 1.115 229 S HN 0.727 nan 8.310 nan 0.000 0.459 230 Y N 1.861 122.223 120.300 0.102 0.000 2.181 230 Y HA 0.041 4.595 4.550 0.007 0.000 0.288 230 Y C 1.703 177.632 175.900 0.048 0.000 1.146 230 Y CA 1.877 60.021 58.100 0.073 0.000 1.164 230 Y CB -0.378 38.127 38.460 0.076 0.000 0.982 230 Y HN 0.695 nan 8.280 nan 0.000 0.515 231 L N -0.437 120.779 121.223 -0.011 0.000 2.141 231 L HA -0.218 4.126 4.340 0.007 0.000 0.209 231 L C 2.354 179.127 176.870 -0.163 0.000 1.094 231 L CA 1.243 55.993 54.840 -0.151 0.000 0.763 231 L CB -0.418 41.638 42.059 -0.005 0.000 0.908 231 L HN 0.291 nan 8.230 nan 0.000 0.437 232 I N -0.502 120.050 120.570 -0.031 0.000 2.439 232 I HA -0.246 3.929 4.170 0.007 0.000 0.251 232 I C 2.199 178.282 176.117 -0.055 0.000 1.139 232 I CA 0.919 62.221 61.300 0.004 0.000 1.438 232 I CB -0.274 37.855 38.000 0.214 0.000 1.085 232 I HN 0.275 nan 8.210 nan 0.000 0.427 233 D N 1.755 122.118 120.400 -0.062 0.000 2.104 233 D HA -0.209 4.436 4.640 0.007 0.000 0.194 233 D C 2.117 178.313 176.300 -0.174 0.000 0.994 233 D CA 1.691 55.649 54.000 -0.070 0.000 0.830 233 D CB -0.118 40.665 40.800 -0.029 0.000 0.959 233 D HN 0.508 nan 8.370 nan 0.000 0.452 234 I N -2.063 118.300 120.570 -0.344 0.000 2.546 234 I HA -0.090 4.084 4.170 0.007 0.000 0.255 234 I C 1.873 177.802 176.117 -0.313 0.000 1.163 234 I CA 1.061 62.152 61.300 -0.349 0.000 1.457 234 I CB -0.654 37.053 38.000 -0.488 0.000 1.092 234 I HN -0.174 nan 8.210 nan 0.000 0.434 235 T N 2.235 116.578 114.554 -0.352 0.000 2.746 235 T HA -0.139 4.215 4.350 0.007 0.000 0.267 235 T C 1.711 176.222 174.700 -0.316 0.000 1.039 235 T CA 2.278 64.099 62.100 -0.465 0.000 1.142 235 T CB -0.183 68.278 68.868 -0.680 0.000 0.866 235 T HN 0.567 nan 8.240 nan 0.000 0.444 236 K N 1.596 121.907 120.400 -0.148 0.000 2.148 236 K HA -0.039 4.286 4.320 0.007 0.000 0.204 236 K C 1.571 178.175 176.600 0.007 0.000 1.050 236 K CA 1.447 57.759 56.287 0.042 0.000 0.942 236 K CB -0.320 32.240 32.500 0.100 0.000 0.724 236 K HN 0.116 nan 8.250 nan 0.000 0.446 237 D N 1.031 121.388 120.400 -0.072 0.000 2.117 237 D HA -0.077 4.567 4.640 0.007 0.000 0.198 237 D C 1.920 178.158 176.300 -0.103 0.000 0.982 237 D CA 1.225 55.186 54.000 -0.065 0.000 0.828 237 D CB -0.186 40.562 40.800 -0.086 0.000 0.967 237 D HN 0.255 nan 8.370 nan 0.000 0.464 238 I N 0.110 120.541 120.570 -0.232 0.000 2.264 238 I HA -0.266 3.908 4.170 0.007 0.000 0.248 238 I C 1.789 177.694 176.117 -0.353 0.000 1.111 238 I CA 0.743 61.836 61.300 -0.344 0.000 1.382 238 I CB -0.165 37.501 38.000 -0.556 0.000 1.060 238 I HN -0.101 nan 8.210 nan 0.000 0.418 239 F N 0.560 120.441 119.950 -0.115 0.000 2.604 239 F HA -0.104 4.427 4.527 0.007 0.000 0.298 239 F C 2.352 178.175 175.800 0.038 0.000 1.131 239 F CA 1.285 59.228 58.000 -0.096 0.000 1.457 239 F CB -0.645 38.274 39.000 -0.134 0.000 1.095 239 F HN 0.159 nan 8.300 nan 0.000 0.574 240 T N -3.972 110.710 114.554 0.212 0.000 3.084 240 T HA 0.162 4.516 4.350 0.007 0.000 0.270 240 T C 0.459 175.279 174.700 0.199 0.000 1.008 240 T CA -0.467 61.816 62.100 0.304 0.000 0.900 240 T CB -0.062 68.922 68.868 0.193 0.000 1.084 240 T HN -0.197 nan 8.240 nan 0.000 0.538 241 K N 2.940 123.413 120.400 0.121 0.000 2.383 241 K HA 0.277 4.601 4.320 0.007 0.000 0.286 241 K C -0.355 176.248 176.600 0.006 0.000 1.051 241 K CA 0.071 56.377 56.287 0.031 0.000 0.974 241 K CB 0.276 32.766 32.500 -0.017 0.000 0.968 241 K HN 0.288 nan 8.250 nan 0.000 0.475 242 K N 3.140 123.486 120.400 -0.090 0.000 2.118 242 K HA 0.175 4.499 4.320 0.007 0.000 0.254 242 K C -0.328 176.211 176.600 -0.102 0.000 0.961 242 K CA -1.029 55.150 56.287 -0.181 0.000 0.876 242 K CB 1.078 33.410 32.500 -0.281 0.000 1.077 242 K HN 0.666 nan 8.250 nan 0.000 0.440 243 D N 1.059 121.403 120.400 -0.094 0.000 2.380 243 D HA -0.075 4.569 4.640 0.007 0.000 0.254 243 D C 1.092 177.360 176.300 -0.053 0.000 1.288 243 D CA 0.218 54.185 54.000 -0.055 0.000 1.008 243 D CB 0.913 41.690 40.800 -0.038 0.000 1.099 243 D HN 0.555 nan 8.370 nan 0.000 0.537 244 E N 0.016 120.195 120.200 -0.036 0.000 2.038 244 E HA -0.192 4.162 4.350 0.007 0.000 0.195 244 E C 1.220 177.799 176.600 -0.034 0.000 1.000 244 E CA 1.947 58.328 56.400 -0.031 0.000 0.803 244 E CB -0.208 29.479 29.700 -0.022 0.000 0.750 244 E HN 0.403 nan 8.360 nan 0.000 0.448 245 D N -1.118 119.263 120.400 -0.032 0.000 2.117 245 D HA -0.024 4.620 4.640 0.007 0.000 0.198 245 D C 1.093 177.364 176.300 -0.049 0.000 0.982 245 D CA 1.747 55.728 54.000 -0.032 0.000 0.828 245 D CB -0.064 40.722 40.800 -0.023 0.000 0.967 245 D HN 0.427 nan 8.370 nan 0.000 0.464 246 G N 0.535 109.294 108.800 -0.068 0.000 2.157 246 G HA2 -0.169 3.796 3.960 0.007 0.000 0.118 246 G HA3 -0.169 3.796 3.960 0.007 0.000 0.118 246 G C -0.154 174.643 174.900 -0.170 0.000 1.032 246 G CA -0.551 44.481 45.100 -0.113 0.000 0.697 246 G HN 0.133 nan 8.290 nan 0.000 0.495 247 N N -0.141 118.487 118.700 -0.120 0.000 2.489 247 N HA 0.470 5.214 4.740 0.007 0.000 0.284 247 N C -0.407 175.037 175.510 -0.110 0.000 1.158 247 N CA -0.428 52.561 53.050 -0.101 0.000 0.965 247 N CB 0.761 39.246 38.487 -0.004 0.000 1.195 247 N HN 0.113 nan 8.380 nan 0.000 0.506 248 Y N 1.117 121.431 120.300 0.024 0.000 2.569 248 Y HA -0.041 4.513 4.550 0.007 0.000 0.332 248 Y C 1.587 177.491 175.900 0.008 0.000 1.120 248 Y CA -0.118 57.996 58.100 0.024 0.000 1.416 248 Y CB 0.435 38.931 38.460 0.061 0.000 1.210 248 Y HN 0.458 nan 8.280 nan 0.000 0.528 249 L N 3.998 125.289 121.223 0.113 0.000 2.042 249 L HA -0.168 4.177 4.340 0.007 0.000 0.210 249 L C 2.152 179.041 176.870 0.033 0.000 1.076 249 L CA 1.405 56.271 54.840 0.042 0.000 0.749 249 L CB -0.648 41.410 42.059 -0.003 0.000 0.893 249 L HN 0.649 nan 8.230 nan 0.000 0.432 250 V N -0.335 119.590 119.914 0.019 0.000 2.568 250 V HA -0.266 3.859 4.120 0.007 0.000 0.253 250 V C 1.696 177.821 176.094 0.051 0.000 1.072 250 V CA 2.157 64.430 62.300 -0.044 0.000 1.084 250 V CB -0.565 31.131 31.823 -0.213 0.000 0.676 250 V HN 0.536 nan 8.190 nan 0.000 0.469 251 D N -0.274 120.195 120.400 0.115 0.000 2.355 251 D HA -0.007 4.637 4.640 0.007 0.000 0.218 251 D C 1.539 177.891 176.300 0.086 0.000 1.004 251 D CA 1.403 55.478 54.000 0.125 0.000 0.880 251 D CB 0.403 41.295 40.800 0.154 0.000 0.911 251 D HN 0.615 nan 8.370 nan 0.000 0.528 252 V N -1.796 118.156 119.914 0.063 0.000 3.427 252 V HA 0.322 4.447 4.120 0.007 0.000 0.305 252 V C 0.662 176.771 176.094 0.026 0.000 1.412 252 V CA -0.409 61.917 62.300 0.042 0.000 1.086 252 V CB -0.188 31.655 31.823 0.034 0.000 0.964 252 V HN -0.133 nan 8.190 nan 0.000 0.439 253 I N 1.825 122.408 120.570 0.022 0.000 2.428 253 I HA 0.284 4.458 4.170 0.007 0.000 0.289 253 I C 0.075 176.201 176.117 0.014 0.000 1.019 253 I CA -0.688 60.615 61.300 0.006 0.000 1.351 253 I CB 1.679 39.671 38.000 -0.013 0.000 1.412 253 I HN 0.185 nan 8.210 nan 0.000 0.513 254 L N 7.106 128.333 121.223 0.007 0.000 2.499 254 L HA 0.014 4.358 4.340 0.007 0.000 0.273 254 L C 0.510 177.386 176.870 0.010 0.000 1.195 254 L CA 0.068 54.914 54.840 0.010 0.000 0.882 254 L CB 0.178 42.239 42.059 0.003 0.000 1.133 254 L HN 0.559 nan 8.230 nan 0.000 0.483 255 D N 4.211 124.622 120.400 0.019 0.000 2.994 255 D HA 0.026 4.671 4.640 0.007 0.000 0.240 255 D C -0.651 175.659 176.300 0.016 0.000 1.195 255 D CA -0.034 53.980 54.000 0.024 0.000 0.957 255 D CB -0.351 40.470 40.800 0.036 0.000 1.105 255 D HN 0.608 nan 8.370 nan 0.000 0.477 256 E N 0.356 120.560 120.200 0.007 0.000 2.267 256 E HA 0.492 4.846 4.350 0.007 0.000 0.248 256 E C -0.845 175.753 176.600 -0.004 0.000 0.899 256 E CA -0.859 55.546 56.400 0.008 0.000 0.764 256 E CB 1.728 31.431 29.700 0.006 0.000 1.227 256 E HN 0.358 nan 8.360 nan 0.000 0.421 257 A N 2.668 125.486 122.820 -0.004 0.000 2.354 257 A HA 0.637 4.961 4.320 0.007 0.000 0.281 257 A C 0.244 177.816 177.584 -0.021 0.000 1.174 257 A CA -0.243 51.773 52.037 -0.035 0.000 0.828 257 A CB 0.465 19.427 19.000 -0.062 0.000 1.099 257 A HN 0.653 nan 8.150 nan 0.000 0.516 258 A N 3.090 125.885 122.820 -0.041 0.000 2.240 258 A HA 0.761 5.086 4.320 0.007 0.000 0.292 258 A C 0.211 177.769 177.584 -0.042 0.000 1.121 258 A CA -0.301 51.723 52.037 -0.022 0.000 0.851 258 A CB 0.374 19.358 19.000 -0.028 0.000 1.167 258 A HN 1.209 nan 8.150 nan 0.000 0.503 259 N N -1.085 117.615 118.700 -0.000 0.000 2.598 259 N HA 0.232 4.977 4.740 0.007 0.000 0.263 259 N C -1.508 174.006 175.510 0.007 0.000 1.254 259 N CA -0.739 52.324 53.050 0.022 0.000 0.863 259 N CB 1.325 39.900 38.487 0.147 0.000 1.586 259 N HN 0.290 nan 8.380 nan 0.000 0.491 260 K N 0.396 120.787 120.400 -0.015 0.000 2.593 260 K HA 0.292 4.617 4.320 0.007 0.000 0.208 260 K C 0.977 177.406 176.600 -0.286 0.000 1.051 260 K CA 0.370 56.598 56.287 -0.099 0.000 1.111 260 K CB 0.058 32.512 32.500 -0.077 0.000 0.849 260 K HN 0.955 nan 8.250 nan 0.000 0.479 261 G N 0.873 109.469 108.800 -0.340 0.000 2.358 261 G HA2 -0.411 3.553 3.960 0.007 0.000 0.224 261 G HA3 -0.411 3.553 3.960 0.007 0.000 0.224 261 G C 1.271 175.402 174.900 -1.281 0.000 1.073 261 G CA 0.878 45.481 45.100 -0.828 0.000 0.635 261 G HN 0.342 nan 8.290 nan 0.000 0.509 262 T N -0.510 113.466 114.554 -0.963 0.000 2.788 262 T HA 0.189 4.544 4.350 0.007 0.000 0.268 262 T C 2.486 176.862 174.700 -0.540 0.000 1.044 262 T CA 2.078 63.771 62.100 -0.678 0.000 1.139 262 T CB -0.773 67.884 68.868 -0.352 0.000 0.867 262 T HN 1.380 nan 8.240 nan 0.000 0.454 263 G N 1.886 110.183 108.800 -0.838 0.000 2.404 263 G HA2 -0.202 3.763 3.960 0.007 0.000 0.215 263 G HA3 -0.202 3.763 3.960 0.007 0.000 0.215 263 G C 1.523 176.131 174.900 -0.486 0.000 1.174 263 G CA 0.983 45.453 45.100 -1.049 0.000 0.780 263 G HN 0.645 nan 8.290 nan 0.000 0.537 264 K N -0.726 119.472 120.400 -0.336 0.000 2.063 264 K HA -0.157 4.168 4.320 0.007 0.000 0.208 264 K C 2.243 178.867 176.600 0.040 0.000 1.048 264 K CA 1.581 57.802 56.287 -0.111 0.000 0.928 264 K CB -0.310 32.206 32.500 0.027 0.000 0.713 264 K HN 0.378 nan 8.250 nan 0.000 0.442 265 W N 1.537 122.787 121.300 -0.085 0.000 2.388 265 W HA -0.052 4.612 4.660 0.007 0.000 0.294 265 W C 2.293 178.810 176.519 -0.004 0.000 1.212 265 W CA 1.204 58.548 57.345 -0.002 0.000 1.271 265 W CB -1.333 28.192 29.460 0.107 0.000 1.126 265 W HN 0.156 nan 8.180 nan 0.000 0.535 266 T N 0.251 114.857 114.554 0.088 0.000 2.684 266 T HA -0.185 4.169 4.350 0.007 0.000 0.267 266 T C 2.016 176.705 174.700 -0.019 0.000 1.036 266 T CA 2.299 64.373 62.100 -0.043 0.000 1.148 266 T CB -0.582 68.174 68.868 -0.187 0.000 0.863 266 T HN -0.004 nan 8.240 nan 0.000 0.436 267 S N 1.271 116.929 115.700 -0.071 0.000 2.382 267 S HA -0.110 4.364 4.470 0.007 0.000 0.228 267 S C 2.212 176.827 174.600 0.024 0.000 1.027 267 S CA 0.936 59.091 58.200 -0.075 0.000 0.991 267 S CB -0.304 62.780 63.200 -0.194 0.000 0.823 267 S HN 0.551 nan 8.310 nan 0.000 0.469 268 Q N 0.406 120.262 119.800 0.094 0.000 2.167 268 Q HA -0.034 4.310 4.340 0.007 0.000 0.202 268 Q C 2.378 178.491 176.000 0.188 0.000 0.970 268 Q CA 1.245 57.133 55.803 0.143 0.000 0.855 268 Q CB -0.212 28.627 28.738 0.169 0.000 0.911 268 Q HN 0.490 nan 8.270 nan 0.000 0.438 269 S N 0.243 116.081 115.700 0.231 0.000 2.387 269 S HA -0.080 4.394 4.470 0.007 0.000 0.226 269 S C 2.014 176.741 174.600 0.213 0.000 1.026 269 S CA 0.874 59.253 58.200 0.298 0.000 0.972 269 S CB -0.108 63.301 63.200 0.348 0.000 0.814 269 S HN 0.430 nan 8.310 nan 0.000 0.477 270 A N 1.517 124.418 122.820 0.135 0.000 1.908 270 A HA -0.001 4.324 4.320 0.007 0.000 0.218 270 A C 2.194 179.834 177.584 0.093 0.000 1.181 270 A CA 1.553 53.646 52.037 0.093 0.000 0.627 270 A CB -0.849 18.172 19.000 0.034 0.000 0.818 270 A HN 0.577 nan 8.150 nan 0.000 0.445 271 L N -0.606 120.674 121.223 0.096 0.000 2.056 271 L HA -0.178 4.167 4.340 0.007 0.000 0.207 271 L C 2.067 179.000 176.870 0.104 0.000 1.078 271 L CA 1.449 56.345 54.840 0.094 0.000 0.749 271 L CB -0.533 41.583 42.059 0.096 0.000 0.901 271 L HN 0.317 nan 8.230 nan 0.000 0.433 272 D N -0.034 120.447 120.400 0.135 0.000 2.178 272 D HA -0.116 4.529 4.640 0.007 0.000 0.201 272 D C 2.138 178.499 176.300 0.102 0.000 0.980 272 D CA 1.235 55.315 54.000 0.135 0.000 0.842 272 D CB 0.076 40.996 40.800 0.199 0.000 0.948 272 D HN 0.328 nan 8.370 nan 0.000 0.472 273 L N -0.734 120.552 121.223 0.104 0.000 2.592 273 L HA 0.197 4.542 4.340 0.007 0.000 0.227 273 L C 1.392 178.289 176.870 0.044 0.000 1.127 273 L CA 0.291 55.165 54.840 0.057 0.000 0.884 273 L CB 0.163 42.263 42.059 0.068 0.000 1.065 273 L HN 0.056 nan 8.230 nan 0.000 0.457 274 G N 0.129 108.964 108.800 0.059 0.000 2.136 274 G HA2 -0.208 3.756 3.960 0.007 0.000 0.242 274 G HA3 -0.208 3.756 3.960 0.007 0.000 0.242 274 G C 0.019 174.959 174.900 0.066 0.000 0.989 274 G CA -0.245 44.889 45.100 0.056 0.000 0.682 274 G HN 0.288 nan 8.290 nan 0.000 0.522 275 E N 0.700 120.941 120.200 0.069 0.000 2.197 275 E HA 0.366 4.720 4.350 0.007 0.000 0.281 275 E C -2.193 174.449 176.600 0.071 0.000 0.995 275 E CA -1.813 54.630 56.400 0.071 0.000 0.808 275 E CB 1.891 31.626 29.700 0.059 0.000 1.093 275 E HN 0.201 nan 8.360 nan 0.000 0.394 276 P HA 0.146 nan 4.420 nan 0.000 0.225 276 P C -0.126 177.192 177.300 0.029 0.000 1.830 276 P CA -0.335 62.829 63.100 0.106 0.000 1.051 276 P CB -0.169 31.653 31.700 0.203 0.000 1.929 277 L N 2.622 123.835 121.223 -0.016 0.000 2.583 277 L HA 0.065 4.410 4.340 0.007 0.000 0.239 277 L C 1.672 178.483 176.870 -0.098 0.000 1.347 277 L CA 0.228 55.015 54.840 -0.088 0.000 1.246 277 L CB -0.451 41.562 42.059 -0.077 0.000 1.496 277 L HN 0.149 nan 8.230 nan 0.000 0.413 278 S N 0.532 116.183 115.700 -0.082 0.000 2.383 278 S HA -0.186 4.288 4.470 0.007 0.000 0.227 278 S C 1.732 176.291 174.600 -0.068 0.000 1.026 278 S CA 1.089 59.264 58.200 -0.041 0.000 0.981 278 S CB -0.443 62.779 63.200 0.037 0.000 0.818 278 S HN 0.601 nan 8.310 nan 0.000 0.472 279 L N 0.783 121.944 121.223 -0.102 0.000 2.007 279 L HA 0.116 4.460 4.340 0.007 0.000 0.205 279 L C 2.543 179.351 176.870 -0.103 0.000 1.073 279 L CA 1.344 56.136 54.840 -0.080 0.000 0.744 279 L CB -0.333 41.680 42.059 -0.077 0.000 0.898 279 L HN 0.279 nan 8.230 nan 0.000 0.435 280 I N -0.632 119.856 120.570 -0.136 0.000 2.264 280 I HA -0.337 3.837 4.170 0.007 0.000 0.248 280 I C 2.298 178.284 176.117 -0.218 0.000 1.111 280 I CA 1.763 62.965 61.300 -0.163 0.000 1.382 280 I CB -0.426 37.456 38.000 -0.196 0.000 1.060 280 I HN 0.332 nan 8.210 nan 0.000 0.418 281 T N -0.093 114.312 114.554 -0.248 0.000 2.746 281 T HA -0.137 4.217 4.350 0.007 0.000 0.267 281 T C 1.757 176.173 174.700 -0.474 0.000 1.039 281 T CA 1.064 62.912 62.100 -0.419 0.000 1.142 281 T CB -0.158 68.493 68.868 -0.362 0.000 0.866 281 T HN 0.284 nan 8.240 nan 0.000 0.444 282 E N 1.256 121.340 120.200 -0.194 0.000 2.268 282 E HA 0.008 4.362 4.350 0.007 0.000 0.195 282 E C 2.488 179.054 176.600 -0.057 0.000 0.995 282 E CA 0.475 56.853 56.400 -0.037 0.000 0.836 282 E CB -0.312 29.413 29.700 0.042 0.000 0.763 282 E HN 0.394 nan 8.360 nan 0.000 0.491 283 S N 0.467 116.107 115.700 -0.101 0.000 2.383 283 S HA -0.092 4.383 4.470 0.007 0.000 0.227 283 S C 2.231 176.788 174.600 -0.071 0.000 1.026 283 S CA 0.858 59.023 58.200 -0.058 0.000 0.981 283 S CB -0.108 63.081 63.200 -0.018 0.000 0.818 283 S HN 0.067 nan 8.310 nan 0.000 0.472 284 V N 1.231 121.029 119.914 -0.193 0.000 2.307 284 V HA -0.125 3.999 4.120 0.007 0.000 0.245 284 V C 1.976 177.771 176.094 -0.498 0.000 1.045 284 V CA 1.562 63.649 62.300 -0.354 0.000 1.024 284 V CB -0.804 30.670 31.823 -0.582 0.000 0.651 284 V HN 0.386 nan 8.190 nan 0.000 0.449 285 F N 0.908 120.634 119.950 -0.373 0.000 2.234 285 F HA -0.034 4.498 4.527 0.008 0.000 0.299 285 F C 2.396 178.148 175.800 -0.080 0.000 1.087 285 F CA 0.675 58.529 58.000 -0.244 0.000 1.340 285 F CB -1.379 37.571 39.000 -0.083 0.000 1.031 285 F HN 0.114 nan 8.300 nan 0.000 0.500 286 A N 0.168 123.050 122.820 0.104 0.000 1.930 286 A HA -0.164 4.160 4.320 0.007 0.000 0.217 286 A C 2.425 180.048 177.584 0.065 0.000 1.175 286 A CA 1.225 53.305 52.037 0.070 0.000 0.627 286 A CB -0.547 18.466 19.000 0.023 0.000 0.815 286 A HN 0.265 nan 8.150 nan 0.000 0.443 287 R N -1.571 118.946 120.500 0.028 0.000 2.081 287 R HA -0.127 4.217 4.340 0.007 0.000 0.235 287 R C 1.977 178.416 176.300 0.231 0.000 1.131 287 R CA 1.574 57.712 56.100 0.064 0.000 0.960 287 R CB -0.505 29.804 30.300 0.014 0.000 0.856 287 R HN 0.611 nan 8.270 nan 0.000 0.436 288 Y N 0.676 121.036 120.300 0.100 0.000 2.165 288 Y HA -0.168 4.387 4.550 0.008 0.000 0.286 288 Y C 2.200 178.131 175.900 0.051 0.000 1.155 288 Y CA 0.369 58.523 58.100 0.090 0.000 1.164 288 Y CB -0.657 37.897 38.460 0.156 0.000 0.978 288 Y HN 0.075 nan 8.280 nan 0.000 0.513 289 I N -0.178 120.526 120.570 0.223 0.000 2.546 289 I HA -0.230 3.944 4.170 0.007 0.000 0.255 289 I C 2.368 178.532 176.117 0.078 0.000 1.163 289 I CA 1.242 62.610 61.300 0.114 0.000 1.457 289 I CB -0.195 37.853 38.000 0.081 0.000 1.092 289 I HN 0.235 nan 8.210 nan 0.000 0.434 290 S N -0.673 115.077 115.700 0.083 0.000 2.402 290 S HA -0.121 4.353 4.470 0.007 0.000 0.229 290 S C 1.840 176.469 174.600 0.047 0.000 1.021 290 S CA 1.402 59.634 58.200 0.053 0.000 0.974 290 S CB -0.442 62.783 63.200 0.042 0.000 0.800 290 S HN 0.407 nan 8.310 nan 0.000 0.484 291 S N 1.218 116.957 115.700 0.065 0.000 2.603 291 S HA 0.333 4.807 4.470 0.007 0.000 0.220 291 S C 0.689 175.301 174.600 0.019 0.000 0.967 291 S CA 0.123 58.346 58.200 0.039 0.000 0.920 291 S CB -0.334 62.892 63.200 0.044 0.000 0.773 291 S HN 0.491 nan 8.310 nan 0.000 0.529 292 L N 1.714 122.952 121.223 0.025 0.000 2.990 292 L HA 0.295 4.640 4.340 0.007 0.000 0.231 292 L C 1.530 178.406 176.870 0.009 0.000 1.341 292 L CA -0.303 54.542 54.840 0.009 0.000 1.208 292 L CB 0.116 42.180 42.059 0.009 0.000 1.571 292 L HN 0.044 nan 8.230 nan 0.000 0.453 293 K N 0.814 121.219 120.400 0.009 0.000 2.032 293 K HA -0.201 4.124 4.320 0.007 0.000 0.209 293 K C 1.397 177.999 176.600 0.003 0.000 1.048 293 K CA 1.857 58.148 56.287 0.008 0.000 0.927 293 K CB 0.131 32.635 32.500 0.007 0.000 0.712 293 K HN 0.267 nan 8.250 nan 0.000 0.441 294 D N 0.383 120.783 120.400 0.000 0.000 2.123 294 D HA -0.174 4.471 4.640 0.007 0.000 0.196 294 D C 1.981 178.279 176.300 -0.002 0.000 0.992 294 D CA 1.238 55.237 54.000 -0.002 0.000 0.833 294 D CB -0.164 40.633 40.800 -0.004 0.000 0.954 294 D HN 0.437 nan 8.370 nan 0.000 0.455 295 Q N 0.008 119.806 119.800 -0.003 0.000 2.119 295 Q HA -0.040 4.305 4.340 0.007 0.000 0.201 295 Q C 2.302 178.301 176.000 -0.002 0.000 0.972 295 Q CA 0.814 56.615 55.803 -0.004 0.000 0.847 295 Q CB 0.071 28.805 28.738 -0.006 0.000 0.903 295 Q HN 0.270 nan 8.270 nan 0.000 0.433 296 R N -0.199 120.302 120.500 0.001 0.000 2.075 296 R HA -0.090 4.255 4.340 0.007 0.000 0.232 296 R C 2.329 178.630 176.300 0.001 0.000 1.126 296 R CA 1.193 57.295 56.100 0.002 0.000 0.963 296 R CB -0.323 29.981 30.300 0.007 0.000 0.858 296 R HN 0.098 nan 8.270 nan 0.000 0.435 297 V N 1.217 121.131 119.914 0.001 0.000 2.343 297 V HA -0.258 3.866 4.120 0.007 0.000 0.247 297 V C 2.495 178.589 176.094 -0.001 0.000 1.051 297 V CA 1.995 64.295 62.300 0.001 0.000 1.036 297 V CB -0.743 31.081 31.823 0.001 0.000 0.654 297 V HN 0.401 nan 8.190 nan 0.000 0.451 298 A N 0.066 122.884 122.820 -0.002 0.000 1.883 298 A HA -0.154 4.171 4.320 0.007 0.000 0.217 298 A C 2.423 180.005 177.584 -0.004 0.000 1.186 298 A CA 2.232 54.267 52.037 -0.003 0.000 0.624 298 A CB -0.844 18.154 19.000 -0.004 0.000 0.822 298 A HN 0.586 nan 8.150 nan 0.000 0.444 299 A N 0.256 123.074 122.820 -0.004 0.000 1.972 299 A HA -0.070 4.255 4.320 0.007 0.000 0.219 299 A C 2.449 180.031 177.584 -0.005 0.000 1.169 299 A CA 2.187 54.221 52.037 -0.005 0.000 0.635 299 A CB -0.981 18.017 19.000 -0.005 0.000 0.810 299 A HN 1.093 nan 8.150 nan 0.000 0.446 300 S N -0.071 115.627 115.700 -0.004 0.000 2.442 300 S HA -0.142 4.332 4.470 0.007 0.000 0.236 300 S C 1.556 176.153 174.600 -0.005 0.000 1.007 300 S CA 1.498 59.695 58.200 -0.004 0.000 0.965 300 S CB -0.340 62.858 63.200 -0.003 0.000 0.773 300 S HN 0.634 nan 8.310 nan 0.000 0.504 301 K N 0.106 120.504 120.400 -0.004 0.000 2.426 301 K HA 0.253 4.577 4.320 0.007 0.000 0.193 301 K C 1.188 177.785 176.600 -0.005 0.000 1.028 301 K CA 0.477 56.761 56.287 -0.004 0.000 1.047 301 K CB 0.292 32.790 32.500 -0.004 0.000 0.821 301 K HN 0.310 nan 8.250 nan 0.000 0.513 302 V N 0.707 120.618 119.914 -0.005 0.000 2.996 302 V HA 0.097 4.222 4.120 0.007 0.000 0.235 302 V C 0.702 176.792 176.094 -0.007 0.000 1.205 302 V CA 0.077 62.373 62.300 -0.006 0.000 1.225 302 V CB 0.286 32.105 31.823 -0.006 0.000 0.995 302 V HN 0.098 nan 8.190 nan 0.000 0.484 303 L N 1.854 123.073 121.223 -0.007 0.000 2.371 303 L HA 0.407 4.752 4.340 0.007 0.000 0.272 303 L C 0.548 177.413 176.870 -0.009 0.000 1.124 303 L CA 0.173 55.008 54.840 -0.008 0.000 0.816 303 L CB 1.145 43.199 42.059 -0.008 0.000 1.129 303 L HN 0.375 nan 8.230 nan 0.000 0.448 304 S N 0.970 116.665 115.700 -0.009 0.000 2.687 304 S HA 0.884 5.358 4.470 0.007 0.000 0.283 304 S C -0.119 174.473 174.600 -0.013 0.000 1.170 304 S CA -0.229 57.965 58.200 -0.011 0.000 1.008 304 S CB 2.072 65.266 63.200 -0.011 0.000 1.026 304 S HN 0.810 nan 8.310 nan 0.000 0.541 305 G N 0.138 108.928 108.800 -0.016 0.000 2.788 305 G HA2 0.706 4.670 3.960 0.007 0.000 0.293 305 G HA3 0.706 4.670 3.960 0.007 0.000 0.293 305 G C -2.975 171.911 174.900 -0.025 0.000 1.392 305 G CA -1.202 43.885 45.100 -0.021 0.000 0.810 305 G HN 0.748 nan 8.290 nan 0.000 0.508 306 P HA 0.289 nan 4.420 nan 0.000 0.278 306 P C -0.954 176.322 177.300 -0.040 0.000 1.266 306 P CA -0.478 62.599 63.100 -0.037 0.000 0.807 306 P CB 1.345 33.016 31.700 -0.048 0.000 1.094 307 Q N 0.576 120.353 119.800 -0.037 0.000 2.288 307 Q HA 0.396 4.740 4.340 0.007 0.000 0.258 307 Q C -0.468 175.504 176.000 -0.047 0.000 0.957 307 Q CA -0.552 55.230 55.803 -0.035 0.000 0.919 307 Q CB 0.868 29.590 28.738 -0.026 0.000 1.185 307 Q HN 0.588 nan 8.270 nan 0.000 0.408 308 A N 4.941 127.732 122.820 -0.048 0.000 2.566 308 A HA 0.004 4.328 4.320 0.007 0.000 0.245 308 A C -0.107 177.454 177.584 -0.038 0.000 1.056 308 A CA 0.125 52.128 52.037 -0.058 0.000 0.757 308 A CB 0.224 19.198 19.000 -0.042 0.000 0.979 308 A HN 0.757 nan 8.150 nan 0.000 0.508 309 Q N 2.090 121.865 119.800 -0.041 0.000 2.214 309 Q HA 0.463 4.807 4.340 0.007 0.000 0.251 309 Q C -2.246 173.806 176.000 0.086 0.000 0.936 309 Q CA -1.891 53.922 55.803 0.016 0.000 0.894 309 Q CB 0.777 29.528 28.738 0.022 0.000 1.252 309 Q HN 0.656 nan 8.270 nan 0.000 0.448 310 P HA 0.108 nan 4.420 nan 0.000 0.271 310 P C -0.415 176.882 177.300 -0.006 0.000 1.216 310 P CA 0.088 63.198 63.100 0.016 0.000 0.771 310 P CB 0.862 32.555 31.700 -0.011 0.000 0.864 311 A N 3.001 125.714 122.820 -0.179 0.000 2.016 311 A HA 0.365 4.690 4.320 0.007 0.000 0.217 311 A C 1.230 178.589 177.584 -0.375 0.000 1.162 311 A CA 1.384 53.072 52.037 -0.583 0.000 0.662 311 A CB -1.152 17.283 19.000 -0.941 0.000 0.812 311 A HN 0.904 nan 8.150 nan 0.000 0.450 312 G N -0.610 108.072 108.800 -0.198 0.000 2.508 312 G HA2 -0.150 3.815 3.960 0.007 0.000 0.220 312 G HA3 -0.150 3.815 3.960 0.007 0.000 0.220 312 G C -0.444 174.402 174.900 -0.090 0.000 1.287 312 G CA -0.039 44.994 45.100 -0.113 0.000 0.916 312 G HN 0.655 nan 8.290 nan 0.000 0.574 313 D N 0.299 120.670 120.400 -0.048 0.000 2.487 313 D HA 0.286 4.930 4.640 0.007 0.000 0.243 313 D C 1.605 177.903 176.300 -0.004 0.000 1.154 313 D CA 0.871 54.855 54.000 -0.026 0.000 0.876 313 D CB 0.920 41.711 40.800 -0.014 0.000 1.161 313 D HN 0.697 nan 8.370 nan 0.000 0.478 314 K N 3.382 123.778 120.400 -0.008 0.000 2.009 314 K HA -0.247 4.077 4.320 0.007 0.000 0.210 314 K C 1.768 178.398 176.600 0.050 0.000 1.049 314 K CA 1.502 57.801 56.287 0.019 0.000 0.929 314 K CB -0.177 32.318 32.500 -0.008 0.000 0.714 314 K HN 0.511 nan 8.250 nan 0.000 0.440 315 A N 1.088 123.919 122.820 0.019 0.000 1.933 315 A HA -0.196 4.128 4.320 0.007 0.000 0.218 315 A C 1.894 179.485 177.584 0.011 0.000 1.175 315 A CA 1.829 53.874 52.037 0.013 0.000 0.628 315 A CB -0.504 18.495 19.000 -0.002 0.000 0.814 315 A HN 0.540 nan 8.150 nan 0.000 0.444 316 E N -1.609 118.599 120.200 0.012 0.000 2.072 316 E HA -0.138 4.217 4.350 0.007 0.000 0.191 316 E C 1.756 178.357 176.600 0.000 0.000 0.985 316 E CA 1.153 57.548 56.400 -0.008 0.000 0.801 316 E CB -0.235 29.462 29.700 -0.006 0.000 0.750 316 E HN 0.674 nan 8.360 nan 0.000 0.452 317 F N 1.428 121.310 119.950 -0.113 0.000 2.113 317 F HA -0.136 4.396 4.527 0.008 0.000 0.297 317 F C 1.964 177.713 175.800 -0.085 0.000 1.103 317 F CA 1.175 59.089 58.000 -0.143 0.000 1.248 317 F CB -0.120 38.772 39.000 -0.181 0.000 0.999 317 F HN -0.084 nan 8.300 nan 0.000 0.475 318 I N 0.136 120.706 120.570 -0.001 0.000 2.208 318 I HA -0.275 3.900 4.170 0.007 0.000 0.245 318 I C 2.333 178.432 176.117 -0.029 0.000 1.097 318 I CA 1.780 63.084 61.300 0.006 0.000 1.363 318 I CB -0.503 37.546 38.000 0.082 0.000 1.051 318 I HN 0.163 nan 8.210 nan 0.000 0.413 319 E N 1.555 121.697 120.200 -0.096 0.000 2.150 319 E HA -0.191 4.163 4.350 0.007 0.000 0.193 319 E C 2.018 178.405 176.600 -0.356 0.000 0.985 319 E CA 1.458 57.739 56.400 -0.198 0.000 0.814 319 E CB -0.010 29.594 29.700 -0.161 0.000 0.752 319 E HN 0.301 nan 8.360 nan 0.000 0.466 320 K N -0.372 119.812 120.400 -0.361 0.000 2.057 320 K HA -0.054 4.270 4.320 0.007 0.000 0.206 320 K C 2.085 178.368 176.600 -0.528 0.000 1.050 320 K CA 1.309 57.340 56.287 -0.428 0.000 0.935 320 K CB -0.067 32.207 32.500 -0.377 0.000 0.715 320 K HN 0.035 nan 8.250 nan 0.000 0.439 321 V N 1.505 121.066 119.914 -0.588 0.000 2.407 321 V HA -0.231 3.893 4.120 0.007 0.000 0.248 321 V C 2.403 178.166 176.094 -0.553 0.000 1.055 321 V CA 1.576 63.573 62.300 -0.505 0.000 1.049 321 V CB -0.515 31.108 31.823 -0.334 0.000 0.662 321 V HN 0.317 nan 8.190 nan 0.000 0.455 322 R N 0.121 120.171 120.500 -0.750 0.000 2.073 322 R HA -0.165 4.180 4.340 0.007 0.000 0.234 322 R C 2.581 178.418 176.300 -0.772 0.000 1.134 322 R CA 1.716 57.033 56.100 -1.304 0.000 0.952 322 R CB -0.175 29.293 30.300 -1.386 0.000 0.850 322 R HN 0.423 nan 8.270 nan 0.000 0.433 323 R N -0.252 119.829 120.500 -0.699 0.000 2.081 323 R HA -0.083 4.261 4.340 0.007 0.000 0.235 323 R C 2.332 178.423 176.300 -0.349 0.000 1.131 323 R CA 1.364 57.038 56.100 -0.710 0.000 0.960 323 R CB -0.315 29.405 30.300 -0.967 0.000 0.856 323 R HN 0.269 nan 8.270 nan 0.000 0.436 324 A N 1.249 123.802 122.820 -0.446 0.000 1.902 324 A HA -0.160 4.164 4.320 0.007 0.000 0.217 324 A C 2.070 179.498 177.584 -0.260 0.000 1.181 324 A CA 1.066 52.814 52.037 -0.483 0.000 0.623 324 A CB -0.457 17.985 19.000 -0.930 0.000 0.818 324 A HN 0.241 nan 8.150 nan 0.000 0.443 325 L N -1.568 119.564 121.223 -0.152 0.000 2.017 325 L HA -0.149 4.195 4.340 0.007 0.000 0.208 325 L C 2.269 179.210 176.870 0.119 0.000 1.073 325 L CA 2.344 57.290 54.840 0.177 0.000 0.745 325 L CB -0.980 41.120 42.059 0.069 0.000 0.894 325 L HN 0.527 nan 8.230 nan 0.000 0.432 326 Y N -1.167 119.070 120.300 -0.105 0.000 2.163 326 Y HA -0.255 4.299 4.550 0.007 0.000 0.288 326 Y C 2.408 178.317 175.900 0.014 0.000 1.136 326 Y CA 1.603 59.665 58.100 -0.063 0.000 1.147 326 Y CB 0.019 38.495 38.460 0.027 0.000 0.987 326 Y HN 0.307 nan 8.280 nan 0.000 0.509 327 L N 0.302 121.574 121.223 0.081 0.000 2.093 327 L HA -0.015 4.329 4.340 0.007 0.000 0.208 327 L C 2.342 179.215 176.870 0.005 0.000 1.085 327 L CA 2.141 56.981 54.840 0.000 0.000 0.755 327 L CB -1.249 40.830 42.059 0.034 0.000 0.904 327 L HN 0.275 nan 8.230 nan 0.000 0.435 328 G N -0.714 108.134 108.800 0.079 0.000 2.418 328 G HA2 -0.265 3.700 3.960 0.007 0.000 0.217 328 G HA3 -0.265 3.700 3.960 0.007 0.000 0.217 328 G C 1.703 176.655 174.900 0.087 0.000 1.158 328 G CA 0.785 45.980 45.100 0.159 0.000 0.771 328 G HN 0.398 nan 8.290 nan 0.000 0.545 329 K N -0.142 120.259 120.400 0.002 0.000 2.057 329 K HA 0.024 4.349 4.320 0.007 0.000 0.207 329 K C 2.454 179.065 176.600 0.019 0.000 1.049 329 K CA 0.930 57.191 56.287 -0.044 0.000 0.931 329 K CB -0.264 31.980 32.500 -0.427 0.000 0.714 329 K HN 0.318 nan 8.250 nan 0.000 0.440 330 I N 0.703 121.218 120.570 -0.092 0.000 2.208 330 I HA -0.307 3.867 4.170 0.007 0.000 0.245 330 I C 2.209 178.344 176.117 0.031 0.000 1.097 330 I CA 1.160 62.468 61.300 0.015 0.000 1.363 330 I CB -0.248 37.731 38.000 -0.035 0.000 1.051 330 I HN -0.041 nan 8.210 nan 0.000 0.413 331 V N -0.349 119.599 119.914 0.056 0.000 2.358 331 V HA -0.290 3.834 4.120 0.007 0.000 0.246 331 V C 2.557 178.636 176.094 -0.025 0.000 1.047 331 V CA 2.171 64.503 62.300 0.054 0.000 1.035 331 V CB -0.488 31.405 31.823 0.117 0.000 0.658 331 V HN 0.452 nan 8.190 nan 0.000 0.452 332 S N -1.205 114.531 115.700 0.060 0.000 2.368 332 S HA -0.198 4.276 4.470 0.007 0.000 0.225 332 S C 1.966 176.620 174.600 0.090 0.000 1.030 332 S CA 1.619 59.838 58.200 0.032 0.000 0.999 332 S CB -0.340 62.909 63.200 0.081 0.000 0.844 332 S HN 0.615 nan 8.310 nan 0.000 0.459 333 Y N 1.576 121.909 120.300 0.055 0.000 2.263 333 Y HA 0.192 4.746 4.550 0.007 0.000 0.292 333 Y C 2.670 178.639 175.900 0.116 0.000 1.130 333 Y CA 0.388 58.593 58.100 0.175 0.000 1.179 333 Y CB -1.018 37.586 38.460 0.239 0.000 0.998 333 Y HN 0.345 nan 8.280 nan 0.000 0.532 334 A N 0.002 122.882 122.820 0.100 0.000 1.908 334 A HA -0.270 4.055 4.320 0.007 0.000 0.218 334 A C 2.131 179.707 177.584 -0.013 0.000 1.181 334 A CA 1.927 53.960 52.037 -0.006 0.000 0.627 334 A CB -0.694 18.268 19.000 -0.064 0.000 0.818 334 A HN 0.525 nan 8.150 nan 0.000 0.445 335 Q N -0.982 118.735 119.800 -0.138 0.000 2.084 335 Q HA -0.104 4.240 4.340 0.007 0.000 0.202 335 Q C 2.235 178.194 176.000 -0.069 0.000 0.978 335 Q CA 1.212 56.893 55.803 -0.203 0.000 0.844 335 Q CB -0.403 28.123 28.738 -0.354 0.000 0.898 335 Q HN 0.693 nan 8.270 nan 0.000 0.426 336 G N -0.162 108.620 108.800 -0.029 0.000 2.402 336 G HA2 -0.207 3.757 3.960 0.007 0.000 0.216 336 G HA3 -0.207 3.757 3.960 0.007 0.000 0.216 336 G C 1.015 175.889 174.900 -0.043 0.000 1.162 336 G CA 0.295 45.356 45.100 -0.064 0.000 0.777 336 G HN 0.200 nan 8.290 nan 0.000 0.539 337 F N 1.147 121.106 119.950 0.016 0.000 2.259 337 F HA 0.025 4.557 4.527 0.007 0.000 0.298 337 F C 3.010 178.779 175.800 -0.052 0.000 1.088 337 F CA 1.212 59.235 58.000 0.039 0.000 1.358 337 F CB -0.168 38.911 39.000 0.130 0.000 1.040 337 F HN 0.211 nan 8.300 nan 0.000 0.505 338 S N -0.394 115.362 115.700 0.092 0.000 2.382 338 S HA -0.258 4.216 4.470 0.007 0.000 0.228 338 S C 2.118 176.725 174.600 0.012 0.000 1.027 338 S CA 1.536 59.748 58.200 0.022 0.000 0.991 338 S CB -0.351 62.864 63.200 0.025 0.000 0.823 338 S HN 0.562 nan 8.310 nan 0.000 0.469 339 Q N 0.125 119.937 119.800 0.021 0.000 2.119 339 Q HA -0.024 4.321 4.340 0.007 0.000 0.201 339 Q C 2.143 178.196 176.000 0.089 0.000 0.972 339 Q CA 1.350 57.186 55.803 0.055 0.000 0.847 339 Q CB -0.227 28.545 28.738 0.057 0.000 0.903 339 Q HN 0.591 nan 8.270 nan 0.000 0.433 340 L N 0.279 121.540 121.223 0.063 0.000 2.042 340 L HA -0.215 4.129 4.340 0.007 0.000 0.210 340 L C 2.825 179.803 176.870 0.181 0.000 1.076 340 L CA 1.619 56.542 54.840 0.138 0.000 0.749 340 L CB -0.468 41.643 42.059 0.086 0.000 0.893 340 L HN 0.269 nan 8.230 nan 0.000 0.432 341 R N 0.239 120.754 120.500 0.025 0.000 2.075 341 R HA -0.153 4.191 4.340 0.007 0.000 0.232 341 R C 2.347 178.672 176.300 0.042 0.000 1.126 341 R CA 1.363 57.475 56.100 0.020 0.000 0.963 341 R CB -0.222 29.949 30.300 -0.215 0.000 0.858 341 R HN 0.325 nan 8.270 nan 0.000 0.435 342 A N 0.564 123.387 122.820 0.004 0.000 1.933 342 A HA -0.076 4.249 4.320 0.007 0.000 0.218 342 A C 2.289 179.804 177.584 -0.115 0.000 1.175 342 A CA 1.607 53.624 52.037 -0.034 0.000 0.628 342 A CB -0.627 18.369 19.000 -0.007 0.000 0.814 342 A HN 0.540 nan 8.150 nan 0.000 0.444 343 A N -1.042 121.716 122.820 -0.104 0.000 1.929 343 A HA -0.022 4.302 4.320 0.007 0.000 0.216 343 A C 2.433 179.835 177.584 -0.302 0.000 1.176 343 A CA 1.874 53.747 52.037 -0.273 0.000 0.628 343 A CB -0.846 17.814 19.000 -0.566 0.000 0.816 343 A HN 0.523 nan 8.150 nan 0.000 0.444 344 S N -0.487 115.187 115.700 -0.043 0.000 2.368 344 S HA -0.228 4.247 4.470 0.007 0.000 0.225 344 S C 2.049 176.569 174.600 -0.134 0.000 1.030 344 S CA 1.779 60.006 58.200 0.045 0.000 0.999 344 S CB -0.313 63.011 63.200 0.207 0.000 0.844 344 S HN 0.708 nan 8.310 nan 0.000 0.459 345 E N 0.074 120.197 120.200 -0.128 0.000 2.072 345 E HA -0.194 4.160 4.350 0.007 0.000 0.191 345 E C 2.009 178.428 176.600 -0.301 0.000 0.985 345 E CA 1.428 57.736 56.400 -0.154 0.000 0.801 345 E CB -0.292 29.352 29.700 -0.094 0.000 0.750 345 E HN 0.532 nan 8.360 nan 0.000 0.452 346 E N -0.249 119.667 120.200 -0.473 0.000 2.072 346 E HA -0.171 4.184 4.350 0.007 0.000 0.191 346 E C 0.981 177.043 176.600 -0.897 0.000 0.985 346 E CA 1.378 57.350 56.400 -0.712 0.000 0.801 346 E CB -0.213 28.884 29.700 -1.005 0.000 0.750 346 E HN 0.419 nan 8.360 nan 0.000 0.452 347 Y N 0.614 120.501 120.300 -0.690 0.000 2.485 347 Y HA 0.310 4.865 4.550 0.008 0.000 0.260 347 Y C -0.044 175.308 175.900 -0.914 0.000 1.173 347 Y CA 0.015 57.532 58.100 -0.972 0.000 1.252 347 Y CB -0.098 37.241 38.460 -1.869 0.000 1.123 347 Y HN -0.046 nan 8.280 nan 0.000 0.524 348 N N -0.685 117.724 118.700 -0.484 0.000 2.727 348 N HA -0.213 4.531 4.740 0.007 0.000 0.251 348 N C -0.273 175.206 175.510 -0.051 0.000 1.040 348 N CA 0.789 53.713 53.050 -0.209 0.000 0.712 348 N CB -1.446 36.971 38.487 -0.117 0.000 0.912 348 N HN 0.506 nan 8.380 nan 0.000 0.545 349 W N 0.043 121.325 121.300 -0.030 0.000 3.013 349 W HA 0.153 4.816 4.660 0.006 0.000 0.280 349 W C 1.041 177.501 176.519 -0.099 0.000 1.249 349 W CA 0.227 57.530 57.345 -0.070 0.000 1.577 349 W CB -0.229 29.161 29.460 -0.117 0.000 1.057 349 W HN 0.227 nan 8.180 nan 0.000 0.613 350 D N 1.155 121.626 120.400 0.118 0.000 2.697 350 D HA -0.196 4.448 4.640 0.007 0.000 0.235 350 D C 0.077 176.321 176.300 -0.093 0.000 1.167 350 D CA 0.480 54.493 54.000 0.022 0.000 0.656 350 D CB -1.150 39.666 40.800 0.027 0.000 1.025 350 D HN 0.016 nan 8.370 nan 0.000 0.419 351 L N 0.298 121.422 121.223 -0.164 0.000 2.506 351 L HA 0.050 4.395 4.340 0.007 0.000 0.281 351 L C 1.315 177.718 176.870 -0.778 0.000 1.228 351 L CA 0.248 54.819 54.840 -0.448 0.000 0.850 351 L CB 0.276 42.058 42.059 -0.461 0.000 1.110 351 L HN 0.226 nan 8.230 nan 0.000 0.496 352 N N 1.708 120.023 118.700 -0.642 0.000 2.558 352 N HA 0.111 4.856 4.740 0.007 0.000 0.242 352 N C 0.308 175.466 175.510 -0.587 0.000 0.979 352 N CA -0.287 52.439 53.050 -0.540 0.000 0.931 352 N CB 0.716 39.038 38.487 -0.275 0.000 1.122 352 N HN 0.360 nan 8.380 nan 0.000 0.508 353 Y N 1.699 121.814 120.300 -0.309 0.000 2.242 353 Y HA 0.048 4.602 4.550 0.006 0.000 0.291 353 Y C 2.322 177.971 175.900 -0.419 0.000 1.137 353 Y CA 1.287 59.106 58.100 -0.468 0.000 1.181 353 Y CB -0.419 37.435 38.460 -1.010 0.000 0.989 353 Y HN 0.562 nan 8.280 nan 0.000 0.527 354 G N -0.157 108.498 108.800 -0.243 0.000 2.408 354 G HA2 -0.191 3.773 3.960 0.007 0.000 0.217 354 G HA3 -0.191 3.773 3.960 0.007 0.000 0.217 354 G C 1.486 176.373 174.900 -0.021 0.000 1.150 354 G CA 0.821 45.937 45.100 0.026 0.000 0.776 354 G HN 0.414 nan 8.290 nan 0.000 0.542 355 E N -0.119 120.022 120.200 -0.099 0.000 2.107 355 E HA -0.004 4.350 4.350 0.007 0.000 0.191 355 E C 2.472 178.967 176.600 -0.176 0.000 0.982 355 E CA 0.277 56.609 56.400 -0.113 0.000 0.809 355 E CB -0.072 29.548 29.700 -0.133 0.000 0.756 355 E HN 0.471 nan 8.360 nan 0.000 0.459 356 I N 1.182 121.610 120.570 -0.237 0.000 2.179 356 I HA -0.264 3.910 4.170 0.007 0.000 0.242 356 I C 2.566 178.386 176.117 -0.495 0.000 1.088 356 I CA 0.972 62.018 61.300 -0.424 0.000 1.357 356 I CB -0.278 37.499 38.000 -0.371 0.000 1.051 356 I HN 0.066 nan 8.210 nan 0.000 0.409 357 A N 0.711 123.494 122.820 -0.060 0.000 1.933 357 A HA -0.230 4.094 4.320 0.007 0.000 0.218 357 A C 2.306 179.933 177.584 0.070 0.000 1.175 357 A CA 1.629 53.740 52.037 0.122 0.000 0.628 357 A CB -0.457 18.645 19.000 0.171 0.000 0.814 357 A HN 0.325 nan 8.150 nan 0.000 0.444 358 K N -0.174 120.231 120.400 0.009 0.000 2.097 358 K HA -0.112 4.213 4.320 0.007 0.000 0.206 358 K C 1.743 178.367 176.600 0.041 0.000 1.049 358 K CA 1.667 57.975 56.287 0.034 0.000 0.933 358 K CB -0.488 32.018 32.500 0.011 0.000 0.717 358 K HN 0.822 nan 8.250 nan 0.000 0.442 359 I N -2.393 118.151 120.570 -0.043 0.000 3.444 359 I HA -0.043 4.131 4.170 0.007 0.000 0.287 359 I C 0.700 176.949 176.117 0.221 0.000 1.302 359 I CA 0.727 62.041 61.300 0.024 0.000 1.368 359 I CB -0.095 37.877 38.000 -0.046 0.000 1.048 359 I HN -0.130 nan 8.210 nan 0.000 0.487 360 F N 1.654 121.684 119.950 0.133 0.000 2.765 360 F HA 0.317 4.848 4.527 0.008 0.000 0.302 360 F C 2.154 178.063 175.800 0.182 0.000 1.111 360 F CA -0.245 57.867 58.000 0.187 0.000 1.359 360 F CB -0.677 38.502 39.000 0.299 0.000 1.097 360 F HN 0.032 nan 8.300 nan 0.000 0.577 361 R N 0.117 120.800 120.500 0.306 0.000 2.189 361 R HA 0.273 4.618 4.340 0.007 0.000 0.218 361 R C 0.634 177.040 176.300 0.177 0.000 1.074 361 R CA 0.839 57.072 56.100 0.221 0.000 0.991 361 R CB 0.096 30.487 30.300 0.152 0.000 0.883 361 R HN 0.169 nan 8.270 nan 0.000 0.457 362 A N -2.153 120.761 122.820 0.157 0.000 2.588 362 A HA 0.586 4.910 4.320 0.007 0.000 0.290 362 A C 0.528 178.155 177.584 0.073 0.000 1.136 362 A CA -0.169 51.927 52.037 0.099 0.000 0.681 362 A CB 0.895 19.939 19.000 0.073 0.000 1.282 362 A HN 0.145 nan 8.150 nan 0.000 0.421 363 G N -1.130 107.675 108.800 0.009 0.000 3.078 363 G HA2 -0.277 3.687 3.960 0.007 0.000 0.227 363 G HA3 -0.277 3.687 3.960 0.007 0.000 0.227 363 G C 1.336 176.189 174.900 -0.077 0.000 1.306 363 G CA 1.133 46.214 45.100 -0.032 0.000 0.841 363 G HN 2.520 nan 8.290 nan 0.000 0.530 364 C N 1.372 120.657 119.300 -0.026 0.000 2.563 364 C HA 0.730 5.194 4.460 0.007 0.000 0.358 364 C C 2.203 177.194 174.990 0.001 0.000 1.336 364 C CA -0.407 58.568 59.018 -0.071 0.000 2.454 364 C CB -0.026 27.650 27.740 -0.107 0.000 2.448 364 C HN 0.475 nan 8.230 nan 0.000 0.670 365 I N 1.760 122.403 120.570 0.121 0.000 2.394 365 I HA -0.098 4.076 4.170 0.007 0.000 0.251 365 I C 2.117 178.395 176.117 0.268 0.000 1.136 365 I CA 1.639 63.053 61.300 0.189 0.000 1.425 365 I CB -1.000 37.157 38.000 0.262 0.000 1.079 365 I HN 0.834 nan 8.210 nan 0.000 0.425 366 I N 0.351 121.072 120.570 0.252 0.000 3.749 366 I HA 0.072 4.247 4.170 0.007 0.000 0.314 366 I C 1.164 177.447 176.117 0.276 0.000 1.267 366 I CA -0.420 60.995 61.300 0.192 0.000 1.169 366 I CB -0.617 37.402 38.000 0.031 0.000 1.009 366 I HN 0.118 nan 8.210 nan 0.000 0.444 367 R N 2.392 123.043 120.500 0.252 0.000 2.583 367 R HA 0.488 4.833 4.340 0.007 0.000 0.274 367 R C -0.441 176.021 176.300 0.271 0.000 0.998 367 R CA 0.517 56.767 56.100 0.250 0.000 1.081 367 R CB 0.080 30.477 30.300 0.162 0.000 0.940 367 R HN 0.367 nan 8.270 nan 0.000 0.413 368 A N 2.180 125.164 122.820 0.273 0.000 2.569 368 A HA 0.070 4.395 4.320 0.007 0.000 0.292 368 A C 0.252 177.991 177.584 0.258 0.000 1.032 368 A CA -0.388 51.809 52.037 0.267 0.000 0.669 368 A CB 1.179 20.358 19.000 0.299 0.000 1.290 368 A HN 0.915 nan 8.150 nan 0.000 0.422 369 Q N 0.290 120.225 119.800 0.226 0.000 2.291 369 Q HA -0.167 4.177 4.340 0.007 0.000 0.206 369 Q C 1.275 177.407 176.000 0.220 0.000 0.976 369 Q CA 2.210 58.123 55.803 0.183 0.000 0.875 369 Q CB -0.433 28.387 28.738 0.136 0.000 0.927 369 Q HN 0.951 nan 8.270 nan 0.000 0.450 370 F N 1.729 121.750 119.950 0.118 0.000 2.147 370 F HA -0.221 4.311 4.527 0.009 0.000 0.301 370 F C 1.673 177.527 175.800 0.090 0.000 1.084 370 F CA 1.162 59.235 58.000 0.121 0.000 1.268 370 F CB -0.109 38.951 39.000 0.101 0.000 1.009 370 F HN 0.112 nan 8.300 nan 0.000 0.486 371 L N 0.078 121.382 121.223 0.136 0.000 2.191 371 L HA -0.197 4.147 4.340 0.007 0.000 0.212 371 L C 2.326 179.204 176.870 0.012 0.000 1.103 371 L CA 1.571 56.456 54.840 0.075 0.000 0.769 371 L CB -1.637 40.588 42.059 0.277 0.000 0.908 371 L HN 0.314 nan 8.230 nan 0.000 0.438 372 Q N 0.059 119.869 119.800 0.015 0.000 2.172 372 Q HA -0.150 4.195 4.340 0.007 0.000 0.200 372 Q C 2.076 178.008 176.000 -0.113 0.000 0.964 372 Q CA 1.314 57.103 55.803 -0.024 0.000 0.855 372 Q CB 0.150 28.880 28.738 -0.013 0.000 0.918 372 Q HN 0.150 nan 8.270 nan 0.000 0.444 373 K N 0.096 120.375 120.400 -0.201 0.000 2.097 373 K HA -0.052 4.272 4.320 0.007 0.000 0.205 373 K C 2.015 178.517 176.600 -0.165 0.000 1.050 373 K CA 1.088 57.161 56.287 -0.357 0.000 0.938 373 K CB -0.232 31.908 32.500 -0.600 0.000 0.718 373 K HN 0.370 nan 8.250 nan 0.000 0.442 374 I N 0.718 121.217 120.570 -0.119 0.000 2.286 374 I HA -0.217 3.957 4.170 0.007 0.000 0.245 374 I C 2.110 178.213 176.117 -0.024 0.000 1.104 374 I CA 1.104 62.334 61.300 -0.118 0.000 1.397 374 I CB -0.528 37.269 38.000 -0.338 0.000 1.072 374 I HN 0.093 nan 8.210 nan 0.000 0.417 375 T N 0.403 114.966 114.554 0.015 0.000 2.684 375 T HA -0.198 4.156 4.350 0.007 0.000 0.267 375 T C 1.497 176.226 174.700 0.050 0.000 1.036 375 T CA 1.738 63.887 62.100 0.081 0.000 1.148 375 T CB -0.331 68.565 68.868 0.045 0.000 0.863 375 T HN 0.308 nan 8.240 nan 0.000 0.436 376 D N 1.240 121.622 120.400 -0.030 0.000 2.123 376 D HA -0.036 4.609 4.640 0.007 0.000 0.196 376 D C 2.348 178.620 176.300 -0.048 0.000 0.992 376 D CA 1.248 55.217 54.000 -0.052 0.000 0.833 376 D CB -0.532 40.195 40.800 -0.121 0.000 0.954 376 D HN 0.417 nan 8.370 nan 0.000 0.455 377 A N 0.014 122.782 122.820 -0.087 0.000 1.902 377 A HA -0.206 4.118 4.320 0.007 0.000 0.217 377 A C 2.084 179.576 177.584 -0.155 0.000 1.181 377 A CA 1.177 53.135 52.037 -0.133 0.000 0.623 377 A CB -1.086 17.821 19.000 -0.156 0.000 0.818 377 A HN 0.313 nan 8.150 nan 0.000 0.443 378 Y N -0.483 119.834 120.300 0.028 0.000 2.373 378 Y HA 0.008 4.562 4.550 0.006 0.000 0.293 378 Y C 2.826 178.754 175.900 0.046 0.000 1.129 378 Y CA 0.524 58.657 58.100 0.054 0.000 1.226 378 Y CB -0.123 38.383 38.460 0.076 0.000 1.000 378 Y HN 0.359 nan 8.280 nan 0.000 0.549 379 A N 0.053 122.962 122.820 0.149 0.000 1.933 379 A HA -0.237 4.087 4.320 0.007 0.000 0.218 379 A C 1.977 179.602 177.584 0.068 0.000 1.175 379 A CA 2.052 54.145 52.037 0.093 0.000 0.628 379 A CB -0.433 18.598 19.000 0.052 0.000 0.814 379 A HN 0.382 nan 8.150 nan 0.000 0.444 380 E N -0.213 120.014 120.200 0.046 0.000 2.158 380 E HA -0.051 4.303 4.350 0.007 0.000 0.191 380 E C 0.141 176.770 176.600 0.048 0.000 0.982 380 E CA 0.886 57.305 56.400 0.032 0.000 0.823 380 E CB 0.048 29.752 29.700 0.006 0.000 0.766 380 E HN 0.454 nan 8.360 nan 0.000 0.468 381 N N -0.654 118.086 118.700 0.067 0.000 2.710 381 N HA 0.208 4.953 4.740 0.007 0.000 0.244 381 N C -2.539 173.076 175.510 0.176 0.000 1.321 381 N CA -1.608 51.493 53.050 0.086 0.000 0.758 381 N CB 1.210 39.725 38.487 0.045 0.000 1.284 381 N HN -0.162 nan 8.380 nan 0.000 0.530 382 P HA -0.080 nan 4.420 nan 0.000 0.218 382 P C 0.433 177.948 177.300 0.359 0.000 1.148 382 P CA 1.244 64.535 63.100 0.319 0.000 0.822 382 P CB 0.408 32.223 31.700 0.192 0.000 0.784 383 Q N -0.954 118.989 119.800 0.238 0.000 2.189 383 Q HA 0.206 4.550 4.340 0.007 0.000 0.221 383 Q C 0.592 176.693 176.000 0.167 0.000 0.848 383 Q CA -0.602 55.329 55.803 0.214 0.000 1.007 383 Q CB -0.371 28.458 28.738 0.152 0.000 1.116 383 Q HN 0.374 nan 8.270 nan 0.000 0.481 384 I N 0.578 121.253 120.570 0.175 0.000 2.815 384 I HA -0.150 4.024 4.170 0.007 0.000 0.291 384 I C 1.167 177.342 176.117 0.096 0.000 1.209 384 I CA 0.159 61.517 61.300 0.097 0.000 1.431 384 I CB 0.974 38.983 38.000 0.016 0.000 1.351 384 I HN 0.204 nan 8.210 nan 0.000 0.585 385 A N 6.403 129.272 122.820 0.082 0.000 1.968 385 A HA -0.022 4.303 4.320 0.007 0.000 0.217 385 A C 0.848 178.482 177.584 0.082 0.000 1.169 385 A CA 0.995 53.084 52.037 0.087 0.000 0.638 385 A CB -0.202 18.865 19.000 0.112 0.000 0.812 385 A HN 0.833 nan 8.150 nan 0.000 0.446 386 N N -1.231 117.513 118.700 0.073 0.000 2.431 386 N HA 0.237 4.981 4.740 0.007 0.000 0.275 386 N C 0.031 175.529 175.510 -0.021 0.000 1.091 386 N CA -0.417 52.648 53.050 0.025 0.000 0.922 386 N CB 1.029 39.531 38.487 0.024 0.000 1.666 386 N HN 0.005 nan 8.380 nan 0.000 0.484 387 L N 2.486 123.646 121.223 -0.106 0.000 2.261 387 L HA -0.081 4.263 4.340 0.007 0.000 0.216 387 L C 2.132 178.957 176.870 -0.076 0.000 1.114 387 L CA 0.982 55.699 54.840 -0.206 0.000 0.777 387 L CB -0.103 41.657 42.059 -0.500 0.000 0.910 387 L HN 0.565 nan 8.230 nan 0.000 0.440 388 L N -0.511 120.703 121.223 -0.016 0.000 2.191 388 L HA -0.215 4.129 4.340 0.007 0.000 0.212 388 L C 2.227 179.197 176.870 0.167 0.000 1.103 388 L CA 0.986 55.895 54.840 0.115 0.000 0.769 388 L CB -0.336 41.818 42.059 0.159 0.000 0.908 388 L HN 0.346 nan 8.230 nan 0.000 0.438 389 L N -0.457 120.847 121.223 0.135 0.000 2.478 389 L HA 0.067 4.411 4.340 0.007 0.000 0.223 389 L C 1.378 178.307 176.870 0.098 0.000 1.140 389 L CA -0.389 54.521 54.840 0.117 0.000 0.842 389 L CB -0.512 41.608 42.059 0.102 0.000 0.953 389 L HN 0.124 nan 8.230 nan 0.000 0.452 390 A N 0.405 123.304 122.820 0.131 0.000 2.425 390 A HA 0.268 4.593 4.320 0.007 0.000 0.249 390 A C -1.464 176.173 177.584 0.088 0.000 1.084 390 A CA -1.079 51.026 52.037 0.114 0.000 0.781 390 A CB 0.127 19.242 19.000 0.191 0.000 1.019 390 A HN -0.046 nan 8.150 nan 0.000 0.490 391 P HA -0.234 nan 4.420 nan 0.000 0.216 391 P C 1.206 178.470 177.300 -0.060 0.000 1.154 391 P CA 1.708 64.806 63.100 -0.005 0.000 0.865 391 P CB -0.066 31.630 31.700 -0.006 0.000 0.789 392 Y N -0.761 119.399 120.300 -0.234 0.000 2.200 392 Y HA -0.182 4.372 4.550 0.006 0.000 0.290 392 Y C 1.955 177.622 175.900 -0.389 0.000 1.137 392 Y CA 1.544 59.413 58.100 -0.385 0.000 1.163 392 Y CB -0.954 37.134 38.460 -0.620 0.000 0.988 392 Y HN -0.183 nan 8.280 nan 0.000 0.518 393 F N 0.528 120.384 119.950 -0.155 0.000 2.259 393 F HA -0.048 4.482 4.527 0.006 0.000 0.298 393 F C 2.232 177.931 175.800 -0.169 0.000 1.088 393 F CA 1.269 59.146 58.000 -0.205 0.000 1.358 393 F CB -0.584 38.386 39.000 -0.051 0.000 1.040 393 F HN -0.075 nan 8.300 nan 0.000 0.505 394 K N -0.146 120.288 120.400 0.056 0.000 2.057 394 K HA -0.234 4.090 4.320 0.007 0.000 0.207 394 K C 2.109 178.679 176.600 -0.051 0.000 1.049 394 K CA 1.500 57.817 56.287 0.050 0.000 0.931 394 K CB -0.303 32.227 32.500 0.049 0.000 0.714 394 K HN 0.145 nan 8.250 nan 0.000 0.440 395 Q N 1.121 120.829 119.800 -0.153 0.000 2.119 395 Q HA -0.087 4.258 4.340 0.007 0.000 0.201 395 Q C 1.866 177.688 176.000 -0.297 0.000 0.972 395 Q CA 1.246 56.931 55.803 -0.198 0.000 0.847 395 Q CB 0.008 28.615 28.738 -0.219 0.000 0.903 395 Q HN 0.169 nan 8.270 nan 0.000 0.433 396 I N 0.335 120.639 120.570 -0.443 0.000 2.226 396 I HA -0.202 3.973 4.170 0.007 0.000 0.245 396 I C 2.097 177.999 176.117 -0.358 0.000 1.100 396 I CA 1.392 62.359 61.300 -0.554 0.000 1.374 396 I CB -1.671 36.008 38.000 -0.534 0.000 1.057 396 I HN 0.280 nan 8.210 nan 0.000 0.413 397 A N 0.563 123.264 122.820 -0.200 0.000 1.930 397 A HA -0.201 4.123 4.320 0.007 0.000 0.217 397 A C 1.959 179.453 177.584 -0.150 0.000 1.175 397 A CA 1.739 53.660 52.037 -0.194 0.000 0.627 397 A CB -0.536 18.383 19.000 -0.135 0.000 0.815 397 A HN 0.342 nan 8.150 nan 0.000 0.443 398 D N 0.395 120.747 120.400 -0.081 0.000 2.123 398 D HA -0.125 4.519 4.640 0.007 0.000 0.196 398 D C 1.171 177.450 176.300 -0.036 0.000 0.992 398 D CA 1.504 55.483 54.000 -0.034 0.000 0.833 398 D CB -0.315 40.467 40.800 -0.030 0.000 0.954 398 D HN 0.409 nan 8.370 nan 0.000 0.455 399 D N -0.931 119.427 120.400 -0.070 0.000 2.213 399 D HA -0.078 4.566 4.640 0.007 0.000 0.205 399 D C 1.421 177.866 176.300 0.242 0.000 0.961 399 D CA 0.649 54.668 54.000 0.032 0.000 0.853 399 D CB -0.031 40.745 40.800 -0.040 0.000 0.967 399 D HN 0.290 nan 8.370 nan 0.000 0.496 400 Y N 1.115 121.351 120.300 -0.106 0.000 2.449 400 Y HA 0.110 4.666 4.550 0.009 0.000 0.254 400 Y C 2.146 177.953 175.900 -0.156 0.000 1.140 400 Y CA -0.181 57.845 58.100 -0.123 0.000 1.272 400 Y CB -0.392 38.006 38.460 -0.102 0.000 1.114 400 Y HN 0.102 nan 8.280 nan 0.000 0.525 401 Q N -0.229 119.554 119.800 -0.029 0.000 2.167 401 Q HA -0.243 4.102 4.340 0.007 0.000 0.202 401 Q C 1.746 177.703 176.000 -0.072 0.000 0.970 401 Q CA 1.620 57.350 55.803 -0.122 0.000 0.855 401 Q CB -0.204 28.391 28.738 -0.238 0.000 0.911 401 Q HN 0.241 nan 8.270 nan 0.000 0.438 402 Q N 1.278 121.054 119.800 -0.040 0.000 2.119 402 Q HA -0.066 4.279 4.340 0.007 0.000 0.201 402 Q C 2.059 178.017 176.000 -0.069 0.000 0.972 402 Q CA 2.007 57.788 55.803 -0.037 0.000 0.847 402 Q CB -0.507 28.219 28.738 -0.020 0.000 0.903 402 Q HN 0.516 nan 8.270 nan 0.000 0.433 403 A N 0.135 122.889 122.820 -0.110 0.000 1.902 403 A HA -0.140 4.185 4.320 0.007 0.000 0.217 403 A C 1.989 179.453 177.584 -0.201 0.000 1.181 403 A CA 1.486 53.415 52.037 -0.179 0.000 0.623 403 A CB -0.862 17.970 19.000 -0.280 0.000 0.818 403 A HN 0.483 nan 8.150 nan 0.000 0.443 404 L N -0.094 121.016 121.223 -0.189 0.000 2.046 404 L HA -0.127 4.218 4.340 0.007 0.000 0.208 404 L C 2.386 179.183 176.870 -0.122 0.000 1.077 404 L CA 2.000 56.711 54.840 -0.215 0.000 0.747 404 L CB -0.587 41.377 42.059 -0.159 0.000 0.896 404 L HN 0.351 nan 8.230 nan 0.000 0.432 405 R N -0.390 120.073 120.500 -0.063 0.000 2.081 405 R HA -0.142 4.203 4.340 0.007 0.000 0.235 405 R C 1.920 178.223 176.300 0.006 0.000 1.131 405 R CA 1.506 57.602 56.100 -0.007 0.000 0.960 405 R CB -0.538 29.768 30.300 0.010 0.000 0.856 405 R HN 0.418 nan 8.270 nan 0.000 0.436 406 D N 0.018 120.407 120.400 -0.017 0.000 2.144 406 D HA -0.109 4.535 4.640 0.007 0.000 0.199 406 D C 1.906 178.243 176.300 0.063 0.000 0.984 406 D CA 0.924 54.936 54.000 0.019 0.000 0.834 406 D CB -0.098 40.693 40.800 -0.014 0.000 0.955 406 D HN 0.001 nan 8.370 nan 0.000 0.465 407 V N 0.362 120.261 119.914 -0.024 0.000 2.379 407 V HA -0.171 3.953 4.120 0.007 0.000 0.245 407 V C 2.588 178.761 176.094 0.131 0.000 1.044 407 V CA 0.875 63.181 62.300 0.011 0.000 1.036 407 V CB -0.235 31.425 31.823 -0.272 0.000 0.664 407 V HN 0.052 nan 8.190 nan 0.000 0.453 408 V N 0.374 120.330 119.914 0.069 0.000 2.295 408 V HA -0.267 3.858 4.120 0.007 0.000 0.246 408 V C 2.699 178.870 176.094 0.128 0.000 1.049 408 V CA 2.101 64.477 62.300 0.128 0.000 1.024 408 V CB -1.096 30.795 31.823 0.113 0.000 0.648 408 V HN 0.563 nan 8.190 nan 0.000 0.447 409 A N -1.067 121.823 122.820 0.116 0.000 1.933 409 A HA -0.267 4.057 4.320 0.007 0.000 0.218 409 A C 2.160 179.825 177.584 0.135 0.000 1.175 409 A CA 2.078 54.179 52.037 0.107 0.000 0.628 409 A CB -0.748 18.308 19.000 0.094 0.000 0.814 409 A HN 0.688 nan 8.150 nan 0.000 0.444 410 Y N 0.433 120.779 120.300 0.076 0.000 2.163 410 Y HA -0.033 4.521 4.550 0.007 0.000 0.288 410 Y C 2.592 178.546 175.900 0.089 0.000 1.136 410 Y CA 1.390 59.542 58.100 0.088 0.000 1.147 410 Y CB -0.385 38.166 38.460 0.152 0.000 0.987 410 Y HN 0.300 nan 8.280 nan 0.000 0.509 411 A N -0.405 122.459 122.820 0.074 0.000 1.902 411 A HA -0.154 4.171 4.320 0.007 0.000 0.217 411 A C 2.275 179.817 177.584 -0.071 0.000 1.181 411 A CA 1.963 53.992 52.037 -0.013 0.000 0.623 411 A CB -1.313 17.788 19.000 0.169 0.000 0.818 411 A HN 0.364 nan 8.150 nan 0.000 0.443 412 V N 0.019 119.927 119.914 -0.010 0.000 2.427 412 V HA -0.230 3.894 4.120 0.007 0.000 0.248 412 V C 2.667 178.725 176.094 -0.060 0.000 1.051 412 V CA 1.936 64.228 62.300 -0.013 0.000 1.048 412 V CB -0.641 31.197 31.823 0.025 0.000 0.666 412 V HN 0.547 nan 8.190 nan 0.000 0.456 413 Q N -0.089 119.653 119.800 -0.097 0.000 2.172 413 Q HA -0.028 4.316 4.340 0.007 0.000 0.200 413 Q C 2.150 178.048 176.000 -0.169 0.000 0.964 413 Q CA 1.712 57.449 55.803 -0.110 0.000 0.855 413 Q CB -0.136 28.550 28.738 -0.086 0.000 0.918 413 Q HN 0.876 nan 8.270 nan 0.000 0.444 414 I N -4.553 115.841 120.570 -0.294 0.000 3.728 414 I HA 0.356 4.530 4.170 0.007 0.000 0.307 414 I C 0.980 177.000 176.117 -0.163 0.000 1.276 414 I CA 0.731 61.866 61.300 -0.276 0.000 1.285 414 I CB 0.209 37.932 38.000 -0.461 0.000 1.038 414 I HN 0.126 nan 8.210 nan 0.000 0.445 415 G N 2.284 111.010 108.800 -0.123 0.000 2.132 415 G HA2 -0.207 3.758 3.960 0.007 0.000 0.234 415 G HA3 -0.207 3.758 3.960 0.007 0.000 0.234 415 G C -0.002 174.871 174.900 -0.045 0.000 0.989 415 G CA -0.008 45.052 45.100 -0.067 0.000 0.676 415 G HN 0.441 nan 8.290 nan 0.000 0.522 416 I N 2.904 123.448 120.570 -0.044 0.000 2.325 416 I HA 0.273 4.448 4.170 0.007 0.000 0.291 416 I C -1.477 174.658 176.117 0.029 0.000 1.019 416 I CA -2.204 59.096 61.300 -0.001 0.000 1.302 416 I CB 1.342 39.359 38.000 0.029 0.000 1.401 416 I HN -0.051 nan 8.210 nan 0.000 0.485 417 P HA 0.053 nan 4.420 nan 0.000 0.271 417 P C -0.440 176.892 177.300 0.054 0.000 1.220 417 P CA -0.022 63.100 63.100 0.037 0.000 0.768 417 P CB 1.163 32.877 31.700 0.023 0.000 0.848 418 V N 1.030 120.989 119.914 0.075 0.000 2.464 418 V HA 0.238 4.363 4.120 0.007 0.000 0.255 418 V C -1.782 174.349 176.094 0.061 0.000 0.946 418 V CA -1.700 60.649 62.300 0.082 0.000 0.988 418 V CB 0.981 32.957 31.823 0.255 0.000 1.210 418 V HN 0.293 nan 8.190 nan 0.000 0.523 419 P HA -0.158 nan 4.420 nan 0.000 0.215 419 P C 1.607 178.924 177.300 0.028 0.000 1.153 419 P CA 2.582 65.706 63.100 0.039 0.000 0.853 419 P CB 0.105 31.828 31.700 0.038 0.000 0.788 420 T N -4.475 110.049 114.554 -0.050 0.000 2.978 420 T HA -0.014 4.341 4.350 0.007 0.000 0.262 420 T C 1.732 176.462 174.700 0.050 0.000 1.063 420 T CA 0.436 62.510 62.100 -0.044 0.000 1.140 420 T CB -1.098 67.699 68.868 -0.118 0.000 0.886 420 T HN -0.191 nan 8.240 nan 0.000 0.470 421 F N 2.482 122.468 119.950 0.061 0.000 2.171 421 F HA 0.093 4.624 4.527 0.007 0.000 0.300 421 F C 2.942 178.783 175.800 0.068 0.000 1.090 421 F CA 0.141 58.176 58.000 0.058 0.000 1.293 421 F CB -1.163 37.871 39.000 0.057 0.000 1.013 421 F HN 0.173 nan 8.300 nan 0.000 0.486 422 S N -0.047 115.804 115.700 0.252 0.000 2.368 422 S HA -0.153 4.322 4.470 0.007 0.000 0.225 422 S C 2.385 177.083 174.600 0.163 0.000 1.030 422 S CA 1.089 59.396 58.200 0.178 0.000 0.999 422 S CB -0.676 62.605 63.200 0.135 0.000 0.844 422 S HN 0.346 nan 8.310 nan 0.000 0.459 423 A N 1.401 124.307 122.820 0.144 0.000 1.972 423 A HA 0.148 4.472 4.320 0.007 0.000 0.219 423 A C 2.311 180.002 177.584 0.178 0.000 1.169 423 A CA 1.608 53.727 52.037 0.138 0.000 0.635 423 A CB -0.947 18.104 19.000 0.085 0.000 0.810 423 A HN 0.503 nan 8.150 nan 0.000 0.446 424 A N -0.509 122.422 122.820 0.185 0.000 1.902 424 A HA -0.013 4.312 4.320 0.007 0.000 0.217 424 A C 2.215 179.958 177.584 0.265 0.000 1.181 424 A CA 1.830 53.996 52.037 0.216 0.000 0.623 424 A CB -0.882 18.243 19.000 0.209 0.000 0.818 424 A HN 0.385 nan 8.150 nan 0.000 0.443 425 V N -0.265 119.781 119.914 0.219 0.000 2.358 425 V HA -0.192 3.933 4.120 0.007 0.000 0.246 425 V C 3.020 179.255 176.094 0.234 0.000 1.047 425 V CA 1.805 64.232 62.300 0.212 0.000 1.035 425 V CB -1.132 30.782 31.823 0.152 0.000 0.658 425 V HN 0.607 nan 8.190 nan 0.000 0.452 426 A N -0.970 121.975 122.820 0.208 0.000 1.930 426 A HA -0.244 4.081 4.320 0.007 0.000 0.217 426 A C 2.152 179.865 177.584 0.216 0.000 1.175 426 A CA 1.934 54.080 52.037 0.181 0.000 0.627 426 A CB -0.679 18.415 19.000 0.156 0.000 0.815 426 A HN 0.642 nan 8.150 nan 0.000 0.443 427 Y N -1.453 118.929 120.300 0.137 0.000 2.184 427 Y HA -0.212 4.342 4.550 0.007 0.000 0.290 427 Y C 2.210 178.210 175.900 0.167 0.000 1.129 427 Y CA 1.895 60.074 58.100 0.132 0.000 1.144 427 Y CB -0.643 37.880 38.460 0.106 0.000 0.995 427 Y HN 0.399 nan 8.280 nan 0.000 0.513 428 Y N 1.191 121.584 120.300 0.154 0.000 2.165 428 Y HA -0.247 4.307 4.550 0.007 0.000 0.286 428 Y C 1.958 177.861 175.900 0.006 0.000 1.155 428 Y CA 2.295 60.430 58.100 0.057 0.000 1.164 428 Y CB -0.480 38.053 38.460 0.122 0.000 0.978 428 Y HN 0.167 nan 8.280 nan 0.000 0.513 429 D N -1.209 119.239 120.400 0.080 0.000 2.317 429 D HA -0.075 4.569 4.640 0.007 0.000 0.211 429 D C 2.093 178.349 176.300 -0.074 0.000 0.966 429 D CA 1.120 55.117 54.000 -0.005 0.000 0.876 429 D CB 0.103 40.958 40.800 0.092 0.000 0.927 429 D HN 0.316 nan 8.370 nan 0.000 0.519 430 S N -0.443 115.212 115.700 -0.075 0.000 2.421 430 S HA -0.073 4.401 4.470 0.007 0.000 0.224 430 S C 1.698 176.203 174.600 -0.159 0.000 1.035 430 S CA -0.114 58.036 58.200 -0.083 0.000 0.953 430 S CB -0.033 63.156 63.200 -0.019 0.000 0.810 430 S HN 0.265 nan 8.310 nan 0.000 0.497 431 Y N 3.432 123.475 120.300 -0.429 0.000 2.293 431 Y HA -0.072 4.482 4.550 0.006 0.000 0.291 431 Y C 2.216 177.919 175.900 -0.330 0.000 1.137 431 Y CA 1.383 59.209 58.100 -0.457 0.000 1.202 431 Y CB -0.076 37.935 38.460 -0.749 0.000 0.990 431 Y HN 0.194 nan 8.280 nan 0.000 0.537 432 R N 0.044 120.331 120.500 -0.354 0.000 2.310 432 R HA 0.379 4.723 4.340 0.007 0.000 0.202 432 R C 0.252 176.404 176.300 -0.246 0.000 0.933 432 R CA 0.497 56.390 56.100 -0.345 0.000 1.054 432 R CB -0.208 29.847 30.300 -0.408 0.000 0.985 432 R HN 0.157 nan 8.270 nan 0.000 0.489 433 A N 1.094 123.789 122.820 -0.209 0.000 2.302 433 A HA 0.589 4.914 4.320 0.007 0.000 0.295 433 A C 1.090 178.592 177.584 -0.137 0.000 1.235 433 A CA -0.068 51.886 52.037 -0.138 0.000 0.876 433 A CB 0.918 19.860 19.000 -0.096 0.000 1.133 433 A HN 0.402 nan 8.150 nan 0.000 0.533 434 A N 2.925 125.677 122.820 -0.113 0.000 1.969 434 A HA 0.265 4.589 4.320 0.007 0.000 0.218 434 A C 0.802 178.342 177.584 -0.073 0.000 1.169 434 A CA 1.408 53.385 52.037 -0.099 0.000 0.635 434 A CB -0.091 18.863 19.000 -0.077 0.000 0.810 434 A HN 0.858 nan 8.150 nan 0.000 0.445 435 V N 0.415 120.294 119.914 -0.059 0.000 2.531 435 V HA 0.495 4.619 4.120 0.007 0.000 0.301 435 V C -0.374 175.698 176.094 -0.037 0.000 1.034 435 V CA -0.432 61.843 62.300 -0.041 0.000 0.865 435 V CB 1.518 33.322 31.823 -0.030 0.000 0.995 435 V HN 0.372 nan 8.190 nan 0.000 0.424 436 L N 5.650 126.856 121.223 -0.029 0.000 2.286 436 L HA 0.592 4.936 4.340 0.007 0.000 0.265 436 L C -1.438 175.425 176.870 -0.012 0.000 1.012 436 L CA -1.691 53.137 54.840 -0.020 0.000 0.818 436 L CB 2.715 44.765 42.059 -0.016 0.000 1.337 436 L HN 0.430 nan 8.230 nan 0.000 0.438 437 P HA 0.009 nan 4.420 nan 0.000 0.256 437 P C 0.556 177.851 177.300 -0.008 0.000 1.335 437 P CA 0.223 63.318 63.100 -0.008 0.000 0.808 437 P CB 0.310 32.007 31.700 -0.005 0.000 1.305 438 A N 1.665 124.483 122.820 -0.003 0.000 2.172 438 A HA -0.157 4.167 4.320 0.007 0.000 0.216 438 A C 2.074 179.654 177.584 -0.008 0.000 1.154 438 A CA 1.073 53.110 52.037 0.000 0.000 0.701 438 A CB -1.015 17.991 19.000 0.010 0.000 0.789 438 A HN 0.320 nan 8.150 nan 0.000 0.465 439 N N 0.600 119.292 118.700 -0.014 0.000 2.166 439 N HA -0.176 4.569 4.740 0.007 0.000 0.186 439 N C 1.481 176.961 175.510 -0.051 0.000 1.019 439 N CA 1.692 54.726 53.050 -0.026 0.000 0.856 439 N CB -0.768 37.703 38.487 -0.027 0.000 0.993 439 N HN 0.395 nan 8.380 nan 0.000 0.426 440 L N 0.789 121.983 121.223 -0.049 0.000 2.093 440 L HA 0.147 4.492 4.340 0.007 0.000 0.208 440 L C 2.247 179.065 176.870 -0.086 0.000 1.085 440 L CA 1.022 55.818 54.840 -0.074 0.000 0.755 440 L CB -0.508 41.518 42.059 -0.055 0.000 0.904 440 L HN 0.101 nan 8.230 nan 0.000 0.435 441 I N -0.840 119.701 120.570 -0.048 0.000 2.226 441 I HA -0.272 3.903 4.170 0.007 0.000 0.245 441 I C 2.442 178.525 176.117 -0.058 0.000 1.100 441 I CA 0.917 62.197 61.300 -0.034 0.000 1.374 441 I CB -0.388 37.610 38.000 -0.003 0.000 1.057 441 I HN 0.357 nan 8.210 nan 0.000 0.413 442 Q N 0.529 120.304 119.800 -0.042 0.000 2.119 442 Q HA -0.135 4.209 4.340 0.007 0.000 0.201 442 Q C 2.446 178.407 176.000 -0.064 0.000 0.972 442 Q CA 1.756 57.550 55.803 -0.014 0.000 0.847 442 Q CB -0.401 28.363 28.738 0.042 0.000 0.903 442 Q HN 0.563 nan 8.270 nan 0.000 0.433 443 A N 0.833 123.561 122.820 -0.154 0.000 1.902 443 A HA -0.239 4.086 4.320 0.007 0.000 0.217 443 A C 2.090 179.386 177.584 -0.480 0.000 1.181 443 A CA 1.595 53.444 52.037 -0.314 0.000 0.623 443 A CB -0.450 18.333 19.000 -0.362 0.000 0.818 443 A HN 0.393 nan 8.150 nan 0.000 0.443 444 Q N -0.783 118.809 119.800 -0.347 0.000 2.046 444 Q HA -0.120 4.225 4.340 0.007 0.000 0.200 444 Q C 2.348 178.013 176.000 -0.558 0.000 0.975 444 Q CA 1.482 57.086 55.803 -0.331 0.000 0.836 444 Q CB -0.163 28.515 28.738 -0.100 0.000 0.896 444 Q HN 0.613 nan 8.270 nan 0.000 0.428 445 R N 0.374 120.554 120.500 -0.534 0.000 2.120 445 R HA -0.159 4.186 4.340 0.007 0.000 0.234 445 R C 1.704 177.770 176.300 -0.390 0.000 1.123 445 R CA 1.515 57.154 56.100 -0.769 0.000 0.975 445 R CB -0.130 30.011 30.300 -0.266 0.000 0.866 445 R HN 0.268 nan 8.270 nan 0.000 0.446 446 D N -0.366 119.976 120.400 -0.097 0.000 2.162 446 D HA -0.157 4.488 4.640 0.007 0.000 0.203 446 D C 1.641 178.043 176.300 0.170 0.000 0.967 446 D CA 0.775 54.909 54.000 0.223 0.000 0.840 446 D CB -0.001 41.170 40.800 0.617 0.000 0.972 446 D HN 0.217 nan 8.370 nan 0.000 0.482 447 Y N -0.117 119.932 120.300 -0.420 0.000 2.097 447 Y HA -0.258 4.296 4.550 0.007 0.000 0.282 447 Y C 1.878 177.755 175.900 -0.038 0.000 1.152 447 Y CA 2.187 60.030 58.100 -0.429 0.000 1.136 447 Y CB -0.283 37.725 38.460 -0.752 0.000 0.975 447 Y HN 0.131 nan 8.280 nan 0.000 0.498 448 F N -1.807 118.315 119.950 0.286 0.000 2.569 448 F HA 0.376 4.907 4.527 0.008 0.000 0.295 448 F C 1.752 177.636 175.800 0.139 0.000 1.115 448 F CA 0.806 58.942 58.000 0.227 0.000 1.450 448 F CB -0.829 38.252 39.000 0.136 0.000 1.107 448 F HN -0.099 nan 8.300 nan 0.000 0.563 449 G N -0.910 107.888 108.800 -0.002 0.000 3.441 449 G HA2 0.409 4.373 3.960 0.007 0.000 0.263 449 G HA3 0.409 4.373 3.960 0.007 0.000 0.263 449 G C 0.875 175.560 174.900 -0.359 0.000 1.014 449 G CA -0.036 45.008 45.100 -0.093 0.000 0.833 449 G HN 0.799 nan 8.290 nan 0.000 0.514 450 A N 0.609 123.363 122.820 -0.109 0.000 2.783 450 A HA -0.241 4.084 4.320 0.007 0.000 0.292 450 A C 1.255 178.728 177.584 -0.185 0.000 1.495 450 A CA 1.104 53.065 52.037 -0.128 0.000 0.787 450 A CB -2.398 16.367 19.000 -0.391 0.000 1.017 450 A HN 0.549 nan 8.150 nan 0.000 0.516 451 H N 0.257 119.351 119.070 0.039 0.000 2.559 451 H HA 0.091 4.651 4.556 0.007 0.000 0.273 451 H C 1.451 176.828 175.328 0.081 0.000 1.000 451 H CA 2.235 58.303 56.048 0.033 0.000 1.195 451 H CB -0.271 29.489 29.762 -0.002 0.000 1.368 451 H HN 1.633 nan 8.280 nan 0.000 0.592 452 T N -1.377 113.333 114.554 0.259 0.000 0.541 452 T HA -0.203 4.152 4.350 0.007 0.000 0.774 452 T C -0.624 174.254 174.700 0.297 0.000 0.992 452 T CA 0.490 62.719 62.100 0.215 0.000 4.077 452 T CB -1.381 67.524 68.868 0.061 0.000 2.303 452 T HN 0.577 nan 8.240 nan 0.000 0.398 453 Y N -1.265 119.177 120.300 0.238 0.000 2.670 453 Y HA 0.868 5.423 4.550 0.007 0.000 0.334 453 Y C -0.468 175.594 175.900 0.270 0.000 1.185 453 Y CA -1.660 56.568 58.100 0.214 0.000 1.053 453 Y CB 1.130 39.715 38.460 0.209 0.000 1.298 453 Y HN 0.927 nan 8.280 nan 0.000 0.459 454 K N 1.100 121.747 120.400 0.413 0.000 2.238 454 K HA 0.678 5.002 4.320 0.007 0.000 0.239 454 K C -0.975 175.860 176.600 0.393 0.000 0.987 454 K CA -1.095 55.407 56.287 0.360 0.000 0.857 454 K CB 1.966 34.595 32.500 0.215 0.000 1.154 454 K HN 0.646 nan 8.250 nan 0.000 0.439 455 R N 0.937 121.606 120.500 0.282 0.000 2.778 455 R HA 0.349 4.694 4.340 0.007 0.000 0.277 455 R C 1.018 177.366 176.300 0.081 0.000 0.977 455 R CA -0.516 55.653 56.100 0.115 0.000 0.950 455 R CB 1.077 31.302 30.300 -0.125 0.000 1.165 455 R HN 0.682 nan 8.270 nan 0.000 0.474 456 I N -1.810 118.781 120.570 0.035 0.000 3.419 456 I HA 0.060 4.235 4.170 0.007 0.000 0.286 456 I C 0.549 176.675 176.117 0.016 0.000 1.268 456 I CA 0.653 61.969 61.300 0.027 0.000 1.414 456 I CB 0.017 38.024 38.000 0.011 0.000 1.074 456 I HN 0.515 nan 8.210 nan 0.000 0.457 457 D N 0.781 121.181 120.400 0.000 0.000 2.407 457 D HA 0.162 4.806 4.640 0.007 0.000 0.208 457 D C 0.183 176.490 176.300 0.012 0.000 1.083 457 D CA 0.019 54.017 54.000 -0.004 0.000 0.844 457 D CB 0.300 41.085 40.800 -0.025 0.000 0.967 457 D HN 0.391 nan 8.370 nan 0.000 0.506 458 K N 0.096 120.518 120.400 0.038 0.000 2.527 458 K HA 0.294 4.619 4.320 0.007 0.000 0.260 458 K C -0.565 176.147 176.600 0.187 0.000 0.937 458 K CA -0.810 55.538 56.287 0.103 0.000 0.826 458 K CB 2.455 35.035 32.500 0.133 0.000 1.359 458 K HN -0.208 nan 8.250 nan 0.000 0.434 459 E N 0.615 120.915 120.200 0.166 0.000 2.369 459 E HA 0.505 4.859 4.350 0.007 0.000 0.255 459 E C 0.569 177.277 176.600 0.179 0.000 1.172 459 E CA 0.303 56.790 56.400 0.145 0.000 0.932 459 E CB 1.070 30.811 29.700 0.068 0.000 1.040 459 E HN 0.809 nan 8.360 nan 0.000 0.454 460 G N -0.988 107.844 108.800 0.054 0.000 2.525 460 G HA2 -0.093 3.872 3.960 0.007 0.000 0.685 460 G HA3 -0.093 3.872 3.960 0.007 0.000 0.685 460 G C -1.208 173.507 174.900 -0.307 0.000 1.290 460 G CA -0.530 44.452 45.100 -0.196 0.000 0.915 460 G HN 0.371 nan 8.290 nan 0.000 0.548 461 V N 0.502 120.067 119.914 -0.582 0.000 2.555 461 V HA 0.832 4.956 4.120 0.007 0.000 0.302 461 V C -0.364 175.231 176.094 -0.832 0.000 1.038 461 V CA -0.458 61.572 62.300 -0.452 0.000 0.887 461 V CB 1.319 33.006 31.823 -0.226 0.000 0.991 461 V HN 0.689 nan 8.190 nan 0.000 0.434 462 F N 2.376 122.103 119.950 -0.371 0.000 2.593 462 F HA 0.720 5.250 4.527 0.007 0.000 0.320 462 F C -0.207 175.268 175.800 -0.542 0.000 1.060 462 F CA -0.753 56.940 58.000 -0.512 0.000 0.940 462 F CB 1.871 40.414 39.000 -0.760 0.000 1.268 462 F HN 0.603 nan 8.300 nan 0.000 0.475 463 H N -0.693 118.274 119.070 -0.172 0.000 2.865 463 H HA 0.587 5.148 4.556 0.007 0.000 0.362 463 H C -1.520 173.841 175.328 0.054 0.000 1.114 463 H CA -0.470 55.572 56.048 -0.011 0.000 1.208 463 H CB 1.928 31.692 29.762 0.003 0.000 1.727 463 H HN 0.556 nan 8.280 nan 0.000 0.534 464 T N 4.182 118.390 114.554 -0.577 0.000 2.855 464 T HA 0.227 4.582 4.350 0.007 0.000 0.281 464 T C -0.589 173.579 174.700 -0.887 0.000 1.007 464 T CA -0.899 60.774 62.100 -0.712 0.000 1.009 464 T CB 1.103 69.384 68.868 -0.977 0.000 0.983 464 T HN 0.486 nan 8.240 nan 0.000 0.455 465 E N 2.404 122.274 120.200 -0.549 0.000 1.963 465 E HA 0.097 4.452 4.350 0.007 0.000 0.274 465 E C -0.075 176.337 176.600 -0.313 0.000 1.061 465 E CA -0.106 56.120 56.400 -0.289 0.000 0.847 465 E CB 0.455 30.070 29.700 -0.141 0.000 1.083 465 E HN 0.716 nan 8.360 nan 0.000 0.402 466 W N 2.163 123.291 121.300 -0.287 0.000 2.467 466 W HA -0.035 4.629 4.660 0.007 0.000 0.275 466 W C 1.706 178.048 176.519 -0.295 0.000 1.239 466 W CA 0.128 57.274 57.345 -0.331 0.000 1.266 466 W CB -0.132 28.935 29.460 -0.655 0.000 1.112 466 W HN 0.414 nan 8.180 nan 0.000 0.576 467 L N 0.165 121.327 121.223 -0.102 0.000 2.376 467 L HA 0.009 4.353 4.340 0.007 0.000 0.219 467 L C 0.305 177.169 176.870 -0.010 0.000 1.133 467 L CA 0.685 55.499 54.840 -0.043 0.000 0.816 467 L CB -0.980 41.059 42.059 -0.032 0.000 0.933 467 L HN 0.029 nan 8.230 nan 0.000 0.449 468 D N 0.000 120.378 120.400 -0.036 0.000 6.856 468 D HA 0.000 4.644 4.640 0.007 0.000 0.175 468 D CA 0.000 53.981 54.000 -0.031 0.000 0.868 468 D CB 0.000 40.784 40.800 -0.026 0.000 0.688 468 D HN 0.000 nan 8.370 nan 0.000 0.683