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 3l2k_1_B DATA FIRST_RESID 3 DATA SEQUENCE DYSLEIDAVM KAAQINDTNN FVQALMRWHF SKETGSPFWL GMREQLNFDP DATA SEQUENCE IKDVKTINDL RQFSDISHCL RQEPVANLVP QGLPADSHPQ VYESGGTTGA DATA SEQUENCE PKYVVAYDAW IEALISWRMS GYQHRPGRPS GNTLAAIPTG PHIVGAINKE DATA SEQUENCE RALRLGGMFF SIDIDPRWVK RSLSEGDTAT VRKYTHHLVD QVQNTLMNQD DATA SEQUENCE IRFLVTTPPV LRELLKRPEV VLQMKQSLAQ ITLGGTELNL DEIKFIASEI DATA SEQUENCE LPDCEFSASY GSTSALGVSR SLLITSESQQ VIYDSFSPFI TYDVVDSITA DATA SEQUENCE QTVEYGERGN VIVTHLSPWA FYPRVAERDT AIRLPGVSGF AGDRLADIEP DATA SEQUENCE LK 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 175.924 176.300 -0.627 0.000 2.045 3 D CA 0.000 53.790 54.000 -0.351 0.000 0.868 3 D CB 0.000 40.696 40.800 -0.174 0.000 0.688 4 Y N 0.416 120.759 120.300 0.073 0.000 2.685 4 Y HA 0.143 4.693 4.550 -0.001 0.000 0.257 4 Y C 1.693 177.622 175.900 0.048 0.000 1.053 4 Y CA -0.431 57.728 58.100 0.098 0.000 1.106 4 Y CB 0.504 39.103 38.460 0.233 0.000 1.193 4 Y HN 0.222 nan 8.280 nan 0.000 0.602 5 S N 0.235 115.994 115.700 0.098 0.000 2.387 5 S HA -0.271 4.199 4.470 -0.001 0.000 0.230 5 S C 1.992 176.606 174.600 0.024 0.000 1.035 5 S CA 1.980 60.209 58.200 0.047 0.000 1.014 5 S CB -0.499 62.720 63.200 0.031 0.000 0.836 5 S HN 0.660 nan 8.310 nan 0.000 0.466 6 L N 0.869 122.117 121.223 0.042 0.000 2.201 6 L HA 0.125 4.464 4.340 -0.001 0.000 0.212 6 L C 1.943 178.810 176.870 -0.006 0.000 1.105 6 L CA 1.430 56.282 54.840 0.021 0.000 0.775 6 L CB -0.839 41.239 42.059 0.032 0.000 0.913 6 L HN 0.120 nan 8.230 nan 0.000 0.440 7 E N 0.913 121.126 120.200 0.023 0.000 2.028 7 E HA -0.132 4.218 4.350 -0.001 0.000 0.190 7 E C 2.313 178.728 176.600 -0.309 0.000 0.984 7 E CA 1.577 57.927 56.400 -0.083 0.000 0.800 7 E CB -0.347 29.385 29.700 0.052 0.000 0.758 7 E HN 0.570 nan 8.360 nan 0.000 0.448 8 I N 2.033 122.363 120.570 -0.400 0.000 2.194 8 I HA -0.306 3.863 4.170 -0.001 0.000 0.246 8 I C 1.919 177.894 176.117 -0.237 0.000 1.093 8 I CA 1.172 62.187 61.300 -0.475 0.000 1.355 8 I CB -0.359 37.384 38.000 -0.428 0.000 1.046 8 I HN 0.029 nan 8.210 nan 0.000 0.413 9 D N 1.096 121.424 120.400 -0.121 0.000 2.104 9 D HA -0.198 4.441 4.640 -0.001 0.000 0.194 9 D C 2.290 178.564 176.300 -0.043 0.000 0.994 9 D CA 1.762 55.735 54.000 -0.046 0.000 0.830 9 D CB -0.353 40.437 40.800 -0.016 0.000 0.959 9 D HN 0.387 nan 8.370 nan 0.000 0.452 10 A N 0.609 123.389 122.820 -0.066 0.000 1.908 10 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 10 A C 2.578 180.132 177.584 -0.050 0.000 1.181 10 A CA 1.675 53.679 52.037 -0.054 0.000 0.627 10 A CB -0.849 18.114 19.000 -0.062 0.000 0.818 10 A HN 0.165 nan 8.150 nan 0.000 0.445 11 V N -0.085 119.763 119.914 -0.110 0.000 2.261 11 V HA -0.305 3.815 4.120 -0.001 0.000 0.246 11 V C 2.681 178.831 176.094 0.094 0.000 1.047 11 V CA 2.076 64.340 62.300 -0.060 0.000 1.015 11 V CB -0.734 30.937 31.823 -0.253 0.000 0.642 11 V HN 0.505 nan 8.190 nan 0.000 0.446 12 M N 0.194 119.836 119.600 0.071 0.000 2.089 12 M HA -0.220 4.259 4.480 -0.001 0.000 0.257 12 M C 2.157 178.520 176.300 0.104 0.000 1.071 12 M CA 1.995 57.393 55.300 0.163 0.000 1.096 12 M CB -1.391 31.301 32.600 0.154 0.000 1.330 12 M HN 0.329 nan 8.290 nan 0.000 0.403 13 K N 0.345 120.775 120.400 0.052 0.000 2.217 13 K HA 0.083 4.402 4.320 -0.001 0.000 0.202 13 K C 1.799 178.400 176.600 0.001 0.000 1.051 13 K CA 1.460 57.764 56.287 0.028 0.000 0.952 13 K CB -0.402 32.107 32.500 0.015 0.000 0.736 13 K HN 0.239 nan 8.250 nan 0.000 0.453 14 A N 0.220 123.045 122.820 0.007 0.000 2.016 14 A HA 0.169 4.489 4.320 -0.001 0.000 0.217 14 A C 2.276 179.791 177.584 -0.115 0.000 1.162 14 A CA 1.296 53.323 52.037 -0.016 0.000 0.662 14 A CB -0.699 18.324 19.000 0.038 0.000 0.812 14 A HN 0.372 nan 8.150 nan 0.000 0.450 15 A N -0.533 122.171 122.820 -0.194 0.000 1.858 15 A HA -0.221 4.098 4.320 -0.001 0.000 0.216 15 A C 2.140 179.596 177.584 -0.214 0.000 1.190 15 A CA 1.723 53.474 52.037 -0.475 0.000 0.617 15 A CB -0.570 18.115 19.000 -0.524 0.000 0.827 15 A HN 0.503 nan 8.150 nan 0.000 0.443 16 Q N 0.497 120.268 119.800 -0.047 0.000 2.508 16 Q HA -0.090 4.250 4.340 -0.001 0.000 0.214 16 Q C 1.162 177.134 176.000 -0.047 0.000 0.979 16 Q CA 1.569 57.382 55.803 0.017 0.000 0.911 16 Q CB -0.252 28.535 28.738 0.082 0.000 0.969 16 Q HN 0.904 nan 8.270 nan 0.000 0.504 17 I N -3.701 116.809 120.570 -0.101 0.000 3.966 17 I HA 0.301 4.471 4.170 -0.001 0.000 0.324 17 I C -0.667 175.345 176.117 -0.174 0.000 1.517 17 I CA -0.492 60.741 61.300 -0.110 0.000 1.117 17 I CB -0.275 37.685 38.000 -0.066 0.000 1.190 17 I HN -0.109 nan 8.210 nan 0.000 0.466 18 N N 2.616 121.162 118.700 -0.257 0.000 2.714 18 N HA -0.236 4.503 4.740 -0.001 0.000 0.252 18 N C -0.291 175.100 175.510 -0.199 0.000 1.014 18 N CA 0.913 53.777 53.050 -0.310 0.000 0.735 18 N CB -0.874 37.346 38.487 -0.444 0.000 0.924 18 N HN 0.556 nan 8.380 nan 0.000 0.540 19 D N -0.154 120.161 120.400 -0.143 0.000 2.522 19 D HA 0.148 4.787 4.640 -0.001 0.000 0.218 19 D C 1.010 177.279 176.300 -0.052 0.000 1.149 19 D CA 0.064 54.017 54.000 -0.079 0.000 0.981 19 D CB 0.424 41.195 40.800 -0.049 0.000 1.041 19 D HN 0.138 nan 8.370 nan 0.000 0.518 20 T N 2.191 116.706 114.554 -0.065 0.000 2.684 20 T HA -0.150 4.200 4.350 -0.001 0.000 0.267 20 T C 1.530 176.257 174.700 0.045 0.000 1.036 20 T CA 1.131 63.219 62.100 -0.019 0.000 1.148 20 T CB 0.094 68.937 68.868 -0.040 0.000 0.863 20 T HN 0.412 nan 8.240 nan 0.000 0.436 21 N N 1.681 120.386 118.700 0.009 0.000 2.166 21 N HA -0.087 4.653 4.740 -0.001 0.000 0.186 21 N C 1.788 177.296 175.510 -0.003 0.000 1.019 21 N CA 0.841 53.891 53.050 0.001 0.000 0.856 21 N CB -0.766 37.713 38.487 -0.013 0.000 0.993 21 N HN 0.330 nan 8.380 nan 0.000 0.426 22 N N 0.982 119.685 118.700 0.004 0.000 2.084 22 N HA -0.138 4.601 4.740 -0.001 0.000 0.190 22 N C 1.501 177.012 175.510 0.002 0.000 1.030 22 N CA 0.788 53.835 53.050 -0.005 0.000 0.849 22 N CB -0.510 37.977 38.487 -0.001 0.000 1.012 22 N HN 0.256 nan 8.380 nan 0.000 0.423 23 F N 0.553 120.419 119.950 -0.140 0.000 2.102 23 F HA -0.131 4.396 4.527 -0.001 0.000 0.298 23 F C 2.037 177.736 175.800 -0.168 0.000 1.105 23 F CA 1.217 59.107 58.000 -0.183 0.000 1.239 23 F CB -0.353 38.502 39.000 -0.241 0.000 0.991 23 F HN -0.104 nan 8.300 nan 0.000 0.474 24 V N 0.657 120.477 119.914 -0.155 0.000 2.358 24 V HA -0.297 3.822 4.120 -0.001 0.000 0.246 24 V C 2.279 178.233 176.094 -0.233 0.000 1.047 24 V CA 2.246 64.385 62.300 -0.267 0.000 1.035 24 V CB -0.882 30.887 31.823 -0.091 0.000 0.658 24 V HN 0.419 nan 8.190 nan 0.000 0.452 25 Q N -0.003 119.712 119.800 -0.141 0.000 2.046 25 Q HA -0.143 4.196 4.340 -0.001 0.000 0.200 25 Q C 2.464 178.390 176.000 -0.123 0.000 0.975 25 Q CA 1.677 57.414 55.803 -0.110 0.000 0.836 25 Q CB -0.487 28.209 28.738 -0.070 0.000 0.896 25 Q HN 0.647 nan 8.270 nan 0.000 0.428 26 A N 0.875 123.608 122.820 -0.145 0.000 1.948 26 A HA -0.200 4.119 4.320 -0.001 0.000 0.220 26 A C 2.002 179.481 177.584 -0.174 0.000 1.177 26 A CA 1.401 53.348 52.037 -0.151 0.000 0.636 26 A CB -0.620 18.274 19.000 -0.177 0.000 0.815 26 A HN 0.318 nan 8.150 nan 0.000 0.449 27 L N -1.285 119.764 121.223 -0.290 0.000 2.375 27 L HA -0.043 4.296 4.340 -0.001 0.000 0.215 27 L C 2.565 179.383 176.870 -0.087 0.000 1.108 27 L CA 0.199 54.891 54.840 -0.247 0.000 0.830 27 L CB -0.255 41.534 42.059 -0.451 0.000 0.959 27 L HN 0.296 nan 8.230 nan 0.000 0.457 28 M N -0.499 119.027 119.600 -0.122 0.000 2.132 28 M HA -0.192 4.287 4.480 -0.001 0.000 0.263 28 M C 2.342 178.718 176.300 0.128 0.000 1.065 28 M CA 1.577 56.879 55.300 0.004 0.000 1.122 28 M CB -1.056 31.506 32.600 -0.063 0.000 1.365 28 M HN 0.201 nan 8.290 nan 0.000 0.411 29 R N -0.379 120.141 120.500 0.033 0.000 2.073 29 R HA -0.205 4.135 4.340 -0.001 0.000 0.234 29 R C 2.373 178.686 176.300 0.022 0.000 1.134 29 R CA 1.533 57.654 56.100 0.035 0.000 0.952 29 R CB -0.450 29.852 30.300 0.004 0.000 0.850 29 R HN 0.566 nan 8.270 nan 0.000 0.433 30 W N 0.949 122.108 121.300 -0.234 0.000 2.335 30 W HA -0.251 4.408 4.660 -0.001 0.000 0.311 30 W C 1.329 177.585 176.519 -0.438 0.000 1.213 30 W CA 1.428 58.551 57.345 -0.370 0.000 1.274 30 W CB -0.294 28.868 29.460 -0.497 0.000 1.148 30 W HN 0.305 nan 8.180 nan 0.000 0.498 31 H N -1.325 117.603 119.070 -0.236 0.000 2.529 31 H HA -0.012 4.543 4.556 -0.001 0.000 0.277 31 H C 0.787 175.634 175.328 -0.802 0.000 0.999 31 H CA 1.074 56.780 56.048 -0.570 0.000 1.256 31 H CB -0.394 28.922 29.762 -0.742 0.000 1.402 31 H HN 0.125 nan 8.280 nan 0.000 0.566 32 F N 0.476 120.362 119.950 -0.107 0.000 2.668 32 F HA 0.144 4.671 4.527 -0.001 0.000 0.301 32 F C 0.763 176.503 175.800 -0.100 0.000 1.106 32 F CA -0.288 57.669 58.000 -0.072 0.000 1.289 32 F CB 0.693 39.655 39.000 -0.063 0.000 1.006 32 F HN -0.107 nan 8.300 nan 0.000 0.535 33 S N -1.230 114.410 115.700 -0.101 0.000 2.521 33 S HA 0.375 4.844 4.470 -0.001 0.000 0.295 33 S C 0.741 175.240 174.600 -0.168 0.000 1.098 33 S CA -0.740 57.400 58.200 -0.100 0.000 0.999 33 S CB 1.963 65.100 63.200 -0.104 0.000 1.034 33 S HN 0.127 nan 8.310 nan 0.000 0.483 34 K N 1.761 122.097 120.400 -0.108 0.000 2.228 34 K HA -0.139 4.180 4.320 -0.001 0.000 0.205 34 K C 1.431 177.942 176.600 -0.149 0.000 1.045 34 K CA 2.224 58.448 56.287 -0.104 0.000 0.931 34 K CB -0.048 32.415 32.500 -0.061 0.000 0.727 34 K HN 0.776 nan 8.250 nan 0.000 0.458 35 E N -1.455 118.627 120.200 -0.196 0.000 2.415 35 E HA -0.026 4.323 4.350 -0.001 0.000 0.197 35 E C 1.468 177.812 176.600 -0.427 0.000 1.007 35 E CA 1.113 57.380 56.400 -0.221 0.000 0.890 35 E CB 0.582 30.210 29.700 -0.120 0.000 0.891 35 E HN 0.395 nan 8.360 nan 0.000 0.496 36 T N -1.884 112.280 114.554 -0.649 0.000 3.040 36 T HA 0.159 4.508 4.350 -0.001 0.000 0.252 36 T C 1.155 175.272 174.700 -0.972 0.000 1.064 36 T CA 0.130 61.589 62.100 -1.069 0.000 1.110 36 T CB 0.309 68.124 68.868 -1.755 0.000 0.921 36 T HN 0.060 nan 8.240 nan 0.000 0.480 37 G N 1.808 110.211 108.800 -0.661 0.000 2.547 37 G HA2 0.475 4.435 3.960 -0.001 0.000 0.291 37 G HA3 0.475 4.435 3.960 -0.001 0.000 0.291 37 G C -0.202 174.543 174.900 -0.257 0.000 1.211 37 G CA -0.456 44.331 45.100 -0.522 0.000 0.950 37 G HN 0.518 nan 8.290 nan 0.000 0.504 38 S N 0.799 116.454 115.700 -0.074 0.000 2.528 38 S HA 0.250 4.719 4.470 -0.001 0.000 0.277 38 S C -1.643 172.977 174.600 0.033 0.000 1.297 38 S CA -0.920 57.308 58.200 0.047 0.000 1.052 38 S CB 1.715 65.042 63.200 0.211 0.000 0.917 38 S HN 0.286 nan 8.310 nan 0.000 0.492 39 P HA -0.247 nan 4.420 nan 0.000 0.222 39 P C 1.074 178.412 177.300 0.063 0.000 1.155 39 P CA 1.367 64.486 63.100 0.032 0.000 0.890 39 P CB -0.094 31.629 31.700 0.038 0.000 0.790 40 F N -1.760 118.138 119.950 -0.088 0.000 2.084 40 F HA -0.123 4.403 4.527 -0.001 0.000 0.296 40 F C 2.076 177.729 175.800 -0.245 0.000 1.111 40 F CA 1.238 59.117 58.000 -0.201 0.000 1.224 40 F CB -1.139 37.686 39.000 -0.291 0.000 0.991 40 F HN -0.124 nan 8.300 nan 0.000 0.471 41 W N -0.009 121.136 121.300 -0.258 0.000 2.363 41 W HA -0.187 4.472 4.660 -0.001 0.000 0.296 41 W C 2.178 178.538 176.519 -0.266 0.000 1.212 41 W CA 0.413 57.502 57.345 -0.428 0.000 1.260 41 W CB -0.579 28.557 29.460 -0.540 0.000 1.131 41 W HN 0.050 nan 8.180 nan 0.000 0.530 42 L N 0.171 121.405 121.223 0.018 0.000 2.012 42 L HA -0.097 4.242 4.340 -0.001 0.000 0.210 42 L C 2.495 179.388 176.870 0.040 0.000 1.073 42 L CA 2.347 57.211 54.840 0.040 0.000 0.748 42 L CB -1.776 40.278 42.059 -0.009 0.000 0.891 42 L HN 0.097 nan 8.230 nan 0.000 0.431 43 G N -1.621 107.164 108.800 -0.025 0.000 2.422 43 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.218 43 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.218 43 G C 1.575 176.436 174.900 -0.066 0.000 1.140 43 G CA 0.826 45.903 45.100 -0.038 0.000 0.775 43 G HN 0.351 nan 8.290 nan 0.000 0.545 44 M N 0.775 120.270 119.600 -0.175 0.000 2.476 44 M HA 0.161 4.640 4.480 -0.001 0.000 0.262 44 M C 2.196 178.528 176.300 0.053 0.000 1.079 44 M CA 1.009 56.180 55.300 -0.214 0.000 1.104 44 M CB -0.149 32.072 32.600 -0.631 0.000 1.409 44 M HN 0.176 nan 8.290 nan 0.000 0.467 45 R N 1.592 122.191 120.500 0.164 0.000 2.159 45 R HA -0.163 4.176 4.340 -0.001 0.000 0.237 45 R C 1.435 177.744 176.300 0.014 0.000 1.131 45 R CA 2.183 58.373 56.100 0.149 0.000 0.982 45 R CB -0.988 29.414 30.300 0.170 0.000 0.868 45 R HN 0.734 nan 8.270 nan 0.000 0.453 46 E N -0.420 119.786 120.200 0.009 0.000 2.494 46 E HA -0.098 4.252 4.350 -0.001 0.000 0.193 46 E C 0.796 177.385 176.600 -0.018 0.000 1.074 46 E CA 0.343 56.734 56.400 -0.014 0.000 0.867 46 E CB 0.049 29.743 29.700 -0.009 0.000 0.924 46 E HN 0.503 nan 8.360 nan 0.000 0.502 47 Q N 0.507 120.301 119.800 -0.010 0.000 2.217 47 Q HA 0.283 4.623 4.340 -0.001 0.000 0.217 47 Q C 0.159 176.151 176.000 -0.013 0.000 0.844 47 Q CA -0.154 55.648 55.803 -0.001 0.000 0.957 47 Q CB 0.786 29.536 28.738 0.020 0.000 1.127 47 Q HN 0.267 nan 8.270 nan 0.000 0.503 48 L N 1.544 122.720 121.223 -0.078 0.000 2.416 48 L HA 0.293 4.632 4.340 -0.001 0.000 0.262 48 L C 0.571 177.320 176.870 -0.203 0.000 1.093 48 L CA -0.619 54.105 54.840 -0.193 0.000 0.801 48 L CB 0.622 42.376 42.059 -0.509 0.000 1.191 48 L HN 0.159 nan 8.230 nan 0.000 0.459 49 N N 0.575 119.172 118.700 -0.172 0.000 2.338 49 N HA 0.145 4.884 4.740 -0.001 0.000 0.251 49 N C -0.796 174.697 175.510 -0.029 0.000 1.199 49 N CA -0.370 52.629 53.050 -0.086 0.000 0.879 49 N CB 0.141 38.629 38.487 0.002 0.000 1.159 49 N HN 0.430 nan 8.380 nan 0.000 0.514 50 F N -1.751 118.107 119.950 -0.154 0.000 2.692 50 F HA 0.661 5.188 4.527 -0.001 0.000 0.320 50 F C -1.189 174.483 175.800 -0.214 0.000 1.123 50 F CA -1.562 56.330 58.000 -0.181 0.000 0.961 50 F CB 0.867 39.731 39.000 -0.227 0.000 1.383 50 F HN -0.165 nan 8.300 nan 0.000 0.483 51 D N 1.445 121.787 120.400 -0.097 0.000 2.441 51 D HA 0.490 5.130 4.640 -0.001 0.000 0.231 51 D C -2.121 174.088 176.300 -0.151 0.000 1.073 51 D CA -2.340 51.529 54.000 -0.219 0.000 0.850 51 D CB 1.843 42.569 40.800 -0.123 0.000 1.062 51 D HN 0.133 nan 8.370 nan 0.000 0.524 52 P HA -0.171 nan 4.420 nan 0.000 0.217 52 P C 1.249 178.451 177.300 -0.163 0.000 1.151 52 P CA 1.016 63.939 63.100 -0.294 0.000 0.849 52 P CB 0.232 31.294 31.700 -1.064 0.000 0.787 53 I N -1.342 119.134 120.570 -0.157 0.000 2.252 53 I HA -0.199 3.970 4.170 -0.001 0.000 0.245 53 I C 2.058 178.141 176.117 -0.056 0.000 1.102 53 I CA 1.510 62.764 61.300 -0.076 0.000 1.385 53 I CB -0.185 37.787 38.000 -0.047 0.000 1.064 53 I HN -0.150 nan 8.210 nan 0.000 0.414 54 K N -0.498 119.871 120.400 -0.052 0.000 2.348 54 K HA 0.104 4.423 4.320 -0.001 0.000 0.194 54 K C 0.585 177.166 176.600 -0.031 0.000 1.052 54 K CA 0.639 56.904 56.287 -0.037 0.000 1.004 54 K CB 0.156 32.636 32.500 -0.034 0.000 0.873 54 K HN 0.192 nan 8.250 nan 0.000 0.523 55 D N 0.405 120.795 120.400 -0.015 0.000 2.398 55 D HA 0.059 4.699 4.640 -0.001 0.000 0.210 55 D C -0.296 175.957 176.300 -0.078 0.000 1.094 55 D CA 0.104 54.090 54.000 -0.023 0.000 0.839 55 D CB 1.020 41.841 40.800 0.036 0.000 0.963 55 D HN -0.213 nan 8.370 nan 0.000 0.506 56 V N 1.223 121.099 119.914 -0.063 0.000 2.334 56 V HA 0.238 4.357 4.120 -0.001 0.000 0.281 56 V C 0.880 176.936 176.094 -0.064 0.000 1.016 56 V CA -0.358 61.890 62.300 -0.086 0.000 0.832 56 V CB 2.125 33.912 31.823 -0.059 0.000 0.999 56 V HN -0.186 nan 8.190 nan 0.000 0.439 57 K N 1.895 122.258 120.400 -0.062 0.000 2.387 57 K HA 0.205 4.524 4.320 -0.001 0.000 0.197 57 K C 0.717 177.296 176.600 -0.035 0.000 1.127 57 K CA 0.569 56.828 56.287 -0.047 0.000 0.950 57 K CB 0.941 33.416 32.500 -0.041 0.000 1.017 57 K HN 0.828 nan 8.250 nan 0.000 0.519 58 T N -2.627 111.909 114.554 -0.030 0.000 2.865 58 T HA 0.273 4.623 4.350 -0.001 0.000 0.294 58 T C 0.978 175.680 174.700 0.004 0.000 1.119 58 T CA -0.876 61.218 62.100 -0.010 0.000 1.007 58 T CB 1.024 69.888 68.868 -0.008 0.000 1.225 58 T HN -0.285 nan 8.240 nan 0.000 0.515 59 I N 1.476 122.062 120.570 0.027 0.000 2.143 59 I HA -0.248 3.922 4.170 -0.001 0.000 0.245 59 I C 2.486 178.632 176.117 0.049 0.000 1.068 59 I CA 1.559 62.889 61.300 0.050 0.000 1.326 59 I CB -1.529 36.506 38.000 0.059 0.000 1.028 59 I HN 0.767 nan 8.210 nan 0.000 0.412 60 N N 0.470 119.188 118.700 0.030 0.000 2.149 60 N HA -0.197 4.542 4.740 -0.001 0.000 0.188 60 N C 1.300 176.807 175.510 -0.005 0.000 1.019 60 N CA 1.318 54.380 53.050 0.020 0.000 0.857 60 N CB -0.102 38.388 38.487 0.007 0.000 0.997 60 N HN 0.372 nan 8.380 nan 0.000 0.426 61 D N 1.107 121.491 120.400 -0.028 0.000 2.271 61 D HA -0.121 4.519 4.640 -0.001 0.000 0.207 61 D C 1.785 178.023 176.300 -0.103 0.000 0.983 61 D CA 0.460 54.406 54.000 -0.089 0.000 0.878 61 D CB -0.198 40.544 40.800 -0.096 0.000 0.920 61 D HN 0.344 nan 8.370 nan 0.000 0.479 62 L N 0.082 121.329 121.223 0.041 0.000 2.549 62 L HA -0.038 4.302 4.340 -0.001 0.000 0.229 62 L C 2.128 179.087 176.870 0.149 0.000 1.158 62 L CA 0.438 55.407 54.840 0.215 0.000 0.842 62 L CB -0.254 41.997 42.059 0.320 0.000 0.952 62 L HN -0.094 nan 8.230 nan 0.000 0.452 63 R N 0.076 120.591 120.500 0.024 0.000 2.303 63 R HA -0.166 4.174 4.340 -0.001 0.000 0.225 63 R C 2.021 178.289 176.300 -0.054 0.000 1.114 63 R CA 0.836 56.947 56.100 0.019 0.000 1.007 63 R CB -0.250 30.045 30.300 -0.009 0.000 0.861 63 R HN 0.554 nan 8.270 nan 0.000 0.471 64 Q N -0.466 119.181 119.800 -0.254 0.000 2.291 64 Q HA -0.041 4.298 4.340 -0.001 0.000 0.205 64 Q C -0.013 175.802 176.000 -0.308 0.000 0.970 64 Q CA 0.641 56.116 55.803 -0.547 0.000 0.876 64 Q CB 0.097 28.006 28.738 -1.382 0.000 0.935 64 Q HN 0.228 nan 8.270 nan 0.000 0.455 65 F N 0.620 120.599 119.950 0.049 0.000 2.382 65 F HA 0.108 4.634 4.527 -0.001 0.000 0.331 65 F C 0.591 176.504 175.800 0.188 0.000 1.121 65 F CA -0.657 57.508 58.000 0.275 0.000 1.183 65 F CB 1.151 40.327 39.000 0.293 0.000 1.207 65 F HN -0.182 nan 8.300 nan 0.000 0.555 66 S N 0.323 116.289 115.700 0.443 0.000 2.664 66 S HA 0.199 4.669 4.470 -0.001 0.000 0.304 66 S C -1.071 173.695 174.600 0.276 0.000 1.099 66 S CA -1.079 57.294 58.200 0.288 0.000 1.003 66 S CB 1.520 64.856 63.200 0.227 0.000 1.092 66 S HN 0.529 nan 8.310 nan 0.000 0.525 67 D N 0.722 121.237 120.400 0.192 0.000 2.458 67 D HA 0.108 4.747 4.640 -0.001 0.000 0.243 67 D C 0.412 176.804 176.300 0.153 0.000 1.146 67 D CA -0.282 53.806 54.000 0.147 0.000 0.877 67 D CB 0.426 41.291 40.800 0.108 0.000 1.176 67 D HN 0.472 nan 8.370 nan 0.000 0.461 68 I N 0.338 120.999 120.570 0.151 0.000 4.081 68 I HA 0.173 4.343 4.170 -0.001 0.000 0.333 68 I C 1.613 177.770 176.117 0.067 0.000 1.413 68 I CA -0.430 60.963 61.300 0.155 0.000 1.110 68 I CB -0.152 37.978 38.000 0.216 0.000 1.082 68 I HN 0.068 nan 8.210 nan 0.000 0.402 69 S N 0.944 116.624 115.700 -0.034 0.000 2.460 69 S HA -0.228 4.241 4.470 -0.001 0.000 0.241 69 S C 0.827 175.324 174.600 -0.172 0.000 1.051 69 S CA 1.715 59.792 58.200 -0.205 0.000 1.223 69 S CB -0.982 61.986 63.200 -0.386 0.000 1.160 69 S HN 0.562 nan 8.310 nan 0.000 0.424 70 H N 0.188 119.252 119.070 -0.011 0.000 3.160 70 H HA 0.290 4.845 4.556 -0.001 0.000 0.257 70 H C 0.680 176.006 175.328 -0.003 0.000 1.140 70 H CA 0.457 56.494 56.048 -0.018 0.000 1.492 70 H CB 0.269 30.029 29.762 -0.005 0.000 1.529 70 H HN 0.536 nan 8.280 nan 0.000 0.490 71 C N 2.506 121.840 119.300 0.056 0.000 6.257 71 C HA -0.158 4.301 4.460 -0.001 0.000 0.208 71 C C 1.544 176.481 174.990 -0.088 0.000 1.093 71 C CA -0.244 58.782 59.018 0.012 0.000 0.968 71 C CB -0.893 26.874 27.740 0.044 0.000 2.298 71 C HN 0.743 nan 8.230 nan 0.000 0.702 72 L N 1.179 122.316 121.223 -0.142 0.000 2.627 72 L HA 0.188 4.527 4.340 -0.001 0.000 0.232 72 L C 2.136 178.976 176.870 -0.050 0.000 1.150 72 L CA 0.352 55.086 54.840 -0.178 0.000 0.917 72 L CB -0.411 41.509 42.059 -0.232 0.000 1.104 72 L HN 0.397 nan 8.230 nan 0.000 0.445 73 R N -0.177 120.315 120.500 -0.013 0.000 2.052 73 R HA -0.046 4.293 4.340 -0.001 0.000 0.224 73 R C 1.984 178.385 176.300 0.168 0.000 1.149 73 R CA 1.199 57.340 56.100 0.068 0.000 0.962 73 R CB -0.076 30.246 30.300 0.037 0.000 0.856 73 R HN 0.329 nan 8.270 nan 0.000 0.433 74 Q N 0.218 120.057 119.800 0.066 0.000 2.398 74 Q HA -0.005 4.334 4.340 -0.001 0.000 0.204 74 Q C -0.146 175.847 176.000 -0.012 0.000 0.932 74 Q CA -0.025 55.800 55.803 0.037 0.000 0.916 74 Q CB 0.431 29.182 28.738 0.021 0.000 1.024 74 Q HN 0.084 nan 8.270 nan 0.000 0.504 75 E N 2.528 122.696 120.200 -0.053 0.000 2.465 75 E HA -0.009 4.340 4.350 -0.001 0.000 0.260 75 E C -2.378 174.162 176.600 -0.099 0.000 0.980 75 E CA -1.557 54.781 56.400 -0.104 0.000 0.927 75 E CB 0.503 30.032 29.700 -0.285 0.000 0.934 75 E HN -0.111 nan 8.360 nan 0.000 0.459 76 P HA -0.055 nan 4.420 nan 0.000 0.265 76 P C 0.718 177.967 177.300 -0.087 0.000 1.222 76 P CA -0.066 62.983 63.100 -0.084 0.000 0.767 76 P CB 0.842 32.509 31.700 -0.055 0.000 0.801 77 V N 4.268 124.119 119.914 -0.105 0.000 2.285 77 V HA -0.406 3.713 4.120 -0.001 0.000 0.260 77 V C 2.254 178.329 176.094 -0.032 0.000 1.089 77 V CA 2.817 65.072 62.300 -0.074 0.000 1.082 77 V CB -1.218 30.538 31.823 -0.111 0.000 0.681 77 V HN 0.703 nan 8.190 nan 0.000 0.452 78 A N -0.660 122.142 122.820 -0.031 0.000 1.940 78 A HA -0.294 4.025 4.320 -0.001 0.000 0.219 78 A C 1.892 179.494 177.584 0.030 0.000 1.176 78 A CA 2.281 54.322 52.037 0.005 0.000 0.631 78 A CB -0.880 18.117 19.000 -0.004 0.000 0.814 78 A HN 0.786 nan 8.150 nan 0.000 0.446 79 N N -0.045 118.664 118.700 0.016 0.000 2.381 79 N HA -0.018 4.721 4.740 -0.001 0.000 0.182 79 N C 1.251 176.811 175.510 0.084 0.000 1.025 79 N CA 0.696 53.774 53.050 0.046 0.000 0.888 79 N CB -0.297 38.218 38.487 0.048 0.000 0.965 79 N HN 0.469 nan 8.380 nan 0.000 0.438 80 L N 0.812 122.068 121.223 0.055 0.000 2.450 80 L HA -0.040 4.299 4.340 -0.001 0.000 0.224 80 L C 0.263 177.261 176.870 0.214 0.000 1.149 80 L CA 0.337 55.248 54.840 0.118 0.000 0.816 80 L CB -0.302 41.818 42.059 0.102 0.000 0.932 80 L HN -0.005 nan 8.230 nan 0.000 0.449 81 V N 1.267 121.296 119.914 0.192 0.000 2.408 81 V HA 0.186 4.306 4.120 -0.001 0.000 0.267 81 V C -2.014 174.157 176.094 0.129 0.000 1.047 81 V CA -1.518 60.931 62.300 0.247 0.000 0.937 81 V CB 0.730 32.691 31.823 0.231 0.000 0.999 81 V HN -0.028 nan 8.190 nan 0.000 0.472 82 P HA 0.115 nan 4.420 nan 0.000 0.267 82 P C 0.432 177.650 177.300 -0.137 0.000 1.205 82 P CA 0.063 63.096 63.100 -0.112 0.000 0.765 82 P CB 0.444 32.052 31.700 -0.154 0.000 0.828 83 Q N 2.195 121.866 119.800 -0.214 0.000 2.297 83 Q HA -0.042 4.297 4.340 -0.001 0.000 0.204 83 Q C 2.188 178.093 176.000 -0.159 0.000 0.962 83 Q CA 1.185 56.907 55.803 -0.135 0.000 0.879 83 Q CB -0.546 28.113 28.738 -0.132 0.000 0.947 83 Q HN 0.612 nan 8.270 nan 0.000 0.462 84 G N 1.173 109.687 108.800 -0.478 0.000 2.527 84 G HA2 -0.097 3.862 3.960 -0.001 0.000 0.219 84 G HA3 -0.097 3.862 3.960 -0.001 0.000 0.219 84 G C 0.556 175.615 174.900 0.264 0.000 1.117 84 G CA 0.232 45.087 45.100 -0.408 0.000 0.759 84 G HN 0.115 nan 8.290 nan 0.000 0.556 85 L N 0.533 121.858 121.223 0.169 0.000 2.453 85 L HA 0.304 4.644 4.340 -0.001 0.000 0.261 85 L C -1.911 175.069 176.870 0.183 0.000 1.179 85 L CA -1.940 53.007 54.840 0.179 0.000 0.813 85 L CB 0.681 42.789 42.059 0.082 0.000 1.110 85 L HN -0.086 nan 8.230 nan 0.000 0.466 86 P HA 0.124 nan 4.420 nan 0.000 0.274 86 P C 0.166 177.556 177.300 0.151 0.000 1.231 86 P CA -0.306 62.888 63.100 0.157 0.000 0.790 86 P CB 0.913 32.707 31.700 0.156 0.000 0.951 87 A N 2.803 125.690 122.820 0.113 0.000 1.957 87 A HA -0.278 4.041 4.320 -0.001 0.000 0.224 87 A C 1.519 179.166 177.584 0.104 0.000 1.287 87 A CA 2.602 54.693 52.037 0.091 0.000 0.682 87 A CB -1.530 17.509 19.000 0.065 0.000 0.833 87 A HN 0.734 nan 8.150 nan 0.000 0.482 88 D N -0.572 119.911 120.400 0.138 0.000 2.336 88 D HA 0.034 4.673 4.640 -0.001 0.000 0.228 88 D C 1.301 177.791 176.300 0.317 0.000 1.120 88 D CA 0.893 54.992 54.000 0.164 0.000 0.839 88 D CB -0.650 40.258 40.800 0.180 0.000 0.932 88 D HN 0.523 nan 8.370 nan 0.000 0.509 89 S N -0.500 115.391 115.700 0.318 0.000 2.562 89 S HA -0.090 4.379 4.470 -0.001 0.000 0.221 89 S C -0.030 174.935 174.600 0.608 0.000 0.975 89 S CA -0.147 58.331 58.200 0.464 0.000 0.918 89 S CB -0.791 62.669 63.200 0.434 0.000 0.772 89 S HN 0.340 nan 8.310 nan 0.000 0.531 90 H N 1.061 120.286 119.070 0.258 0.000 2.904 90 H HA -0.043 4.513 4.556 -0.001 0.000 0.333 90 H C -2.751 172.649 175.328 0.120 0.000 1.271 90 H CA 0.456 56.606 56.048 0.169 0.000 1.183 90 H CB -2.162 27.683 29.762 0.139 0.000 1.519 90 H HN 0.455 nan 8.280 nan 0.000 0.441 91 P HA 0.121 nan 4.420 nan 0.000 0.267 91 P C 0.060 177.261 177.300 -0.164 0.000 1.205 91 P CA 0.235 63.226 63.100 -0.180 0.000 0.765 91 P CB 1.340 33.017 31.700 -0.039 0.000 0.828 92 Q N 2.643 122.297 119.800 -0.244 0.000 2.394 92 Q HA 0.445 4.784 4.340 -0.001 0.000 0.273 92 Q C -1.543 174.197 176.000 -0.432 0.000 1.089 92 Q CA -0.976 54.660 55.803 -0.279 0.000 0.812 92 Q CB 1.827 30.430 28.738 -0.226 0.000 1.353 92 Q HN 0.176 nan 8.270 nan 0.000 0.438 93 V N 5.037 124.649 119.914 -0.503 0.000 2.383 93 V HA 0.445 4.564 4.120 -0.001 0.000 0.275 93 V C -0.976 174.784 176.094 -0.558 0.000 1.036 93 V CA -0.225 61.849 62.300 -0.378 0.000 0.889 93 V CB 0.104 31.799 31.823 -0.212 0.000 0.985 93 V HN 0.695 nan 8.190 nan 0.000 0.459 94 Y N 2.665 122.950 120.300 -0.026 0.000 2.570 94 Y HA 0.685 5.234 4.550 -0.001 0.000 0.345 94 Y C 0.330 176.187 175.900 -0.071 0.000 1.014 94 Y CA -1.075 56.995 58.100 -0.050 0.000 1.063 94 Y CB 1.865 40.302 38.460 -0.038 0.000 1.272 94 Y HN 0.599 nan 8.280 nan 0.000 0.477 95 E N 0.059 120.268 120.200 0.015 0.000 2.410 95 E HA 0.772 5.121 4.350 -0.001 0.000 0.269 95 E C -1.309 175.235 176.600 -0.094 0.000 0.937 95 E CA -1.211 55.113 56.400 -0.127 0.000 0.793 95 E CB 2.717 32.284 29.700 -0.222 0.000 1.314 95 E HN 0.406 nan 8.360 nan 0.000 0.447 96 S N -1.558 114.071 115.700 -0.118 0.000 2.656 96 S HA 0.606 5.076 4.470 -0.001 0.000 0.273 96 S C 0.012 174.568 174.600 -0.074 0.000 1.168 96 S CA 0.270 58.452 58.200 -0.030 0.000 0.817 96 S CB 1.455 64.628 63.200 -0.044 0.000 1.146 96 S HN 1.028 nan 8.310 nan 0.000 0.475 97 G N 0.432 109.221 108.800 -0.019 0.000 2.176 97 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.253 97 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.253 97 G C 1.258 176.147 174.900 -0.018 0.000 0.979 97 G CA 0.621 45.707 45.100 -0.024 0.000 0.641 97 G HN 1.669 nan 8.290 nan 0.000 0.530 98 G N 0.654 109.450 108.800 -0.007 0.000 2.697 98 G HA2 0.054 4.013 3.960 -0.001 0.000 0.223 98 G HA3 0.054 4.013 3.960 -0.001 0.000 0.223 98 G C 1.260 176.179 174.900 0.032 0.000 1.083 98 G CA 1.863 46.980 45.100 0.027 0.000 0.722 98 G HN 2.034 nan 8.290 nan 0.000 0.604 99 T N -1.312 113.259 114.554 0.028 0.000 2.718 99 T HA 0.163 4.512 4.350 -0.001 0.000 0.265 99 T C 1.325 176.034 174.700 0.014 0.000 1.014 99 T CA 0.947 63.060 62.100 0.021 0.000 1.172 99 T CB 0.044 68.927 68.868 0.025 0.000 1.007 99 T HN 0.455 nan 8.240 nan 0.000 0.500 100 T N 2.106 116.664 114.554 0.008 0.000 10.584 100 T HA -0.237 4.112 4.350 -0.001 0.000 0.416 100 T C 0.963 175.668 174.700 0.008 0.000 1.462 100 T CA 2.744 64.846 62.100 0.003 0.000 2.444 100 T CB -1.711 67.156 68.868 -0.003 0.000 2.919 100 T HN 2.546 nan 8.240 nan 0.000 1.092 101 G N -0.370 108.437 108.800 0.011 0.000 3.313 101 G HA2 0.565 4.524 3.960 -0.001 0.000 0.659 101 G HA3 0.565 4.524 3.960 -0.001 0.000 0.659 101 G C -0.295 174.606 174.900 0.001 0.000 1.286 101 G CA 0.428 45.535 45.100 0.012 0.000 1.077 101 G HN 1.289 nan 8.290 nan 0.000 0.551 102 A N 3.437 126.249 122.820 -0.014 0.000 1.681 102 A HA 0.974 5.293 4.320 -0.001 0.000 0.160 102 A C -2.025 175.518 177.584 -0.069 0.000 1.621 102 A CA 1.011 53.028 52.037 -0.034 0.000 1.937 102 A CB -0.110 18.864 19.000 -0.042 0.000 1.902 102 A HN 1.165 nan 8.150 nan 0.000 1.132 103 P HA 0.600 nan 4.420 nan 0.000 0.319 103 P C -1.606 175.366 177.300 -0.546 0.000 1.291 103 P CA -0.565 62.357 63.100 -0.296 0.000 0.817 103 P CB 1.149 32.662 31.700 -0.312 0.000 1.349 104 K N -0.084 120.004 120.400 -0.519 0.000 2.339 104 K HA 0.403 4.723 4.320 -0.001 0.000 0.264 104 K C -0.867 175.436 176.600 -0.496 0.000 0.986 104 K CA -0.362 55.659 56.287 -0.443 0.000 0.866 104 K CB 0.822 33.151 32.500 -0.285 0.000 1.103 104 K HN 0.357 nan 8.250 nan 0.000 0.441 105 Y N 1.511 121.738 120.300 -0.123 0.000 2.308 105 Y HA 0.307 4.856 4.550 -0.001 0.000 0.329 105 Y C 0.724 176.547 175.900 -0.128 0.000 1.111 105 Y CA -0.791 57.241 58.100 -0.114 0.000 1.179 105 Y CB 1.097 39.494 38.460 -0.106 0.000 1.201 105 Y HN 0.276 nan 8.280 nan 0.000 0.483 106 V N 0.009 119.946 119.914 0.040 0.000 3.156 106 V HA 0.826 4.946 4.120 -0.001 0.000 0.311 106 V C -1.099 175.046 176.094 0.084 0.000 1.208 106 V CA -1.116 61.204 62.300 0.034 0.000 1.063 106 V CB 1.776 33.560 31.823 -0.065 0.000 1.098 106 V HN 0.417 nan 8.190 nan 0.000 0.452 107 V N 0.647 120.634 119.914 0.122 0.000 2.604 107 V HA 0.954 5.073 4.120 -0.001 0.000 0.305 107 V C 0.307 176.394 176.094 -0.011 0.000 1.043 107 V CA 0.334 62.639 62.300 0.009 0.000 0.888 107 V CB 1.385 33.201 31.823 -0.011 0.000 0.995 107 V HN 1.529 nan 8.190 nan 0.000 0.429 108 A N 3.785 126.529 122.820 -0.127 0.000 2.485 108 A HA 0.999 5.319 4.320 -0.001 0.000 0.292 108 A C -1.933 175.463 177.584 -0.313 0.000 1.147 108 A CA -0.520 51.509 52.037 -0.014 0.000 0.750 108 A CB 1.748 20.928 19.000 0.299 0.000 1.331 108 A HN 0.708 nan 8.150 nan 0.000 0.419 109 Y N -0.592 119.837 120.300 0.216 0.000 2.562 109 Y HA 0.340 4.890 4.550 -0.001 0.000 0.345 109 Y C 0.469 176.394 175.900 0.043 0.000 1.045 109 Y CA -0.825 57.365 58.100 0.150 0.000 1.028 109 Y CB 1.673 40.221 38.460 0.147 0.000 1.297 109 Y HN 0.682 nan 8.280 nan 0.000 0.463 110 D N 1.105 121.616 120.400 0.185 0.000 2.097 110 D HA -0.164 4.475 4.640 -0.001 0.000 0.195 110 D C 2.027 178.296 176.300 -0.052 0.000 0.989 110 D CA 1.881 55.895 54.000 0.024 0.000 0.827 110 D CB -0.386 40.376 40.800 -0.062 0.000 0.966 110 D HN 0.685 nan 8.370 nan 0.000 0.456 111 A N 1.177 123.994 122.820 -0.005 0.000 1.986 111 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 111 A C 2.083 179.420 177.584 -0.413 0.000 1.171 111 A CA 1.492 53.498 52.037 -0.050 0.000 0.640 111 A CB -1.136 18.031 19.000 0.279 0.000 0.811 111 A HN 0.561 nan 8.150 nan 0.000 0.451 112 W N 0.390 121.132 121.300 -0.930 0.000 2.444 112 W HA -0.108 4.552 4.660 -0.001 0.000 0.308 112 W C 1.721 177.986 176.519 -0.423 0.000 1.183 112 W CA 1.334 58.043 57.345 -1.059 0.000 1.340 112 W CB -0.411 28.487 29.460 -0.936 0.000 1.138 112 W HN 0.297 nan 8.180 nan 0.000 0.510 113 I N 1.643 121.905 120.570 -0.513 0.000 2.113 113 I HA -0.391 3.778 4.170 -0.001 0.000 0.242 113 I C 2.412 178.247 176.117 -0.471 0.000 1.064 113 I CA 2.242 63.233 61.300 -0.516 0.000 1.320 113 I CB -0.771 37.104 38.000 -0.207 0.000 1.028 113 I HN 0.030 nan 8.210 nan 0.000 0.406 114 E N 0.652 120.654 120.200 -0.330 0.000 2.070 114 E HA -0.267 4.083 4.350 -0.001 0.000 0.197 114 E C 2.280 178.689 176.600 -0.318 0.000 1.004 114 E CA 1.655 57.893 56.400 -0.270 0.000 0.805 114 E CB -0.262 29.338 29.700 -0.167 0.000 0.744 114 E HN 0.553 nan 8.360 nan 0.000 0.451 115 A N 0.539 123.143 122.820 -0.359 0.000 1.972 115 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 115 A C 2.120 179.386 177.584 -0.530 0.000 1.169 115 A CA 1.155 53.023 52.037 -0.282 0.000 0.635 115 A CB -0.471 18.458 19.000 -0.119 0.000 0.810 115 A HN 0.268 nan 8.150 nan 0.000 0.446 116 L N -0.524 120.258 121.223 -0.735 0.000 2.044 116 L HA -0.054 4.286 4.340 -0.001 0.000 0.205 116 L C 2.048 178.605 176.870 -0.522 0.000 1.075 116 L CA 1.586 55.907 54.840 -0.864 0.000 0.747 116 L CB -0.315 41.212 42.059 -0.885 0.000 0.903 116 L HN 0.277 nan 8.230 nan 0.000 0.435 117 I N -0.515 119.807 120.570 -0.414 0.000 2.361 117 I HA -0.210 3.960 4.170 -0.001 0.000 0.251 117 I C 2.465 178.375 176.117 -0.344 0.000 1.133 117 I CA 1.218 62.333 61.300 -0.309 0.000 1.413 117 I CB -1.278 36.561 38.000 -0.268 0.000 1.073 117 I HN 0.291 nan 8.210 nan 0.000 0.424 118 S N -0.100 115.390 115.700 -0.349 0.000 2.368 118 S HA -0.232 4.238 4.470 -0.001 0.000 0.224 118 S C 1.696 176.092 174.600 -0.341 0.000 1.029 118 S CA 1.299 59.312 58.200 -0.312 0.000 0.988 118 S CB -0.510 62.561 63.200 -0.215 0.000 0.838 118 S HN 0.657 nan 8.310 nan 0.000 0.462 119 W N 3.172 124.093 121.300 -0.632 0.000 2.338 119 W HA -0.187 4.472 4.660 -0.001 0.000 0.304 119 W C 2.312 178.558 176.519 -0.457 0.000 1.212 119 W CA 1.608 58.586 57.345 -0.612 0.000 1.264 119 W CB -0.354 28.421 29.460 -1.143 0.000 1.142 119 W HN 0.175 nan 8.180 nan 0.000 0.512 120 R N 0.139 120.269 120.500 -0.617 0.000 2.127 120 R HA -0.152 4.187 4.340 -0.001 0.000 0.238 120 R C 1.944 177.778 176.300 -0.776 0.000 1.134 120 R CA 2.306 57.846 56.100 -0.933 0.000 0.975 120 R CB -0.484 29.564 30.300 -0.420 0.000 0.865 120 R HN 0.293 nan 8.270 nan 0.000 0.447 121 M N 0.708 119.859 119.600 -0.747 0.000 2.414 121 M HA 0.117 4.597 4.480 -0.001 0.000 0.251 121 M C 0.176 175.828 176.300 -1.079 0.000 1.116 121 M CA -0.053 54.575 55.300 -1.120 0.000 1.056 121 M CB 0.696 32.803 32.600 -0.821 0.000 1.388 121 M HN 0.103 nan 8.290 nan 0.000 0.487 122 S N -0.096 115.199 115.700 -0.675 0.000 2.580 122 S HA 0.419 4.888 4.470 -0.001 0.000 0.266 122 S C 1.332 175.695 174.600 -0.394 0.000 1.354 122 S CA 0.209 58.133 58.200 -0.461 0.000 1.008 122 S CB 0.819 63.853 63.200 -0.277 0.000 0.898 122 S HN 0.614 nan 8.310 nan 0.000 0.555 123 G N 0.990 109.660 108.800 -0.217 0.000 2.454 123 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.225 123 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.225 123 G C 0.514 175.416 174.900 0.004 0.000 1.138 123 G CA 1.029 46.077 45.100 -0.086 0.000 0.667 123 G HN 1.330 nan 8.290 nan 0.000 0.512 124 Y N -1.810 118.393 120.300 -0.161 0.000 2.736 124 Y HA 0.512 5.061 4.550 -0.001 0.000 0.272 124 Y C 2.401 178.218 175.900 -0.138 0.000 1.118 124 Y CA 0.966 58.987 58.100 -0.132 0.000 1.248 124 Y CB -0.708 37.670 38.460 -0.136 0.000 1.437 124 Y HN 0.210 nan 8.280 nan 0.000 0.481 125 Q N 1.201 120.782 119.800 -0.364 0.000 2.221 125 Q HA -0.316 4.024 4.340 -0.001 0.000 0.220 125 Q C 1.445 177.326 176.000 -0.198 0.000 1.057 125 Q CA 3.007 58.564 55.803 -0.410 0.000 0.949 125 Q CB -0.709 27.550 28.738 -0.799 0.000 1.077 125 Q HN 0.752 nan 8.270 nan 0.000 0.436 126 H N -1.221 117.815 119.070 -0.057 0.000 2.681 126 H HA 0.239 4.794 4.556 -0.001 0.000 0.268 126 H C 0.062 175.390 175.328 -0.001 0.000 0.967 126 H CA 0.629 56.660 56.048 -0.029 0.000 1.233 126 H CB -0.069 29.668 29.762 -0.041 0.000 1.445 126 H HN 0.392 nan 8.280 nan 0.000 0.494 127 R N 2.488 123.057 120.500 0.116 0.000 2.638 127 R HA 0.093 4.432 4.340 -0.001 0.000 0.268 127 R C -2.552 173.788 176.300 0.066 0.000 1.006 127 R CA -1.049 55.099 56.100 0.079 0.000 1.088 127 R CB -0.850 29.489 30.300 0.066 0.000 0.950 127 R HN -0.057 nan 8.270 nan 0.000 0.419 128 P HA 0.065 nan 4.420 nan 0.000 0.268 128 P C 0.670 177.992 177.300 0.036 0.000 1.205 128 P CA 0.829 63.952 63.100 0.038 0.000 0.771 128 P CB 0.875 32.590 31.700 0.025 0.000 0.858 129 G N 1.780 110.601 108.800 0.035 0.000 2.220 129 G HA2 -0.366 3.594 3.960 -0.001 0.000 0.269 129 G HA3 -0.366 3.594 3.960 -0.001 0.000 0.269 129 G C 0.523 175.448 174.900 0.042 0.000 0.977 129 G CA 0.299 45.417 45.100 0.031 0.000 0.634 129 G HN 0.816 nan 8.290 nan 0.000 0.539 130 R N 1.777 122.313 120.500 0.060 0.000 2.466 130 R HA 0.126 4.465 4.340 -0.001 0.000 0.280 130 R C -1.141 175.221 176.300 0.103 0.000 0.926 130 R CA 0.330 56.482 56.100 0.086 0.000 1.127 130 R CB 0.112 30.477 30.300 0.109 0.000 0.871 130 R HN 0.312 nan 8.270 nan 0.000 0.421 131 P HA 0.111 nan 4.420 nan 0.000 0.275 131 P C -1.217 176.214 177.300 0.220 0.000 1.270 131 P CA -0.356 62.809 63.100 0.108 0.000 0.791 131 P CB 0.923 32.672 31.700 0.082 0.000 1.089 132 S N -2.500 113.278 115.700 0.130 0.000 2.604 132 S HA 0.655 5.124 4.470 -0.001 0.000 0.296 132 S C -0.604 174.058 174.600 0.104 0.000 1.097 132 S CA 0.047 58.409 58.200 0.270 0.000 0.883 132 S CB 0.764 64.094 63.200 0.216 0.000 1.081 132 S HN 0.939 nan 8.310 nan 0.000 0.448 133 G N 2.276 111.213 108.800 0.228 0.000 2.435 133 G HA2 0.318 4.278 3.960 -0.001 0.000 0.228 133 G HA3 0.318 4.278 3.960 -0.001 0.000 0.228 133 G C -1.694 173.337 174.900 0.218 0.000 1.198 133 G CA -0.839 44.322 45.100 0.102 0.000 0.948 133 G HN 0.770 nan 8.290 nan 0.000 0.487 134 N N 0.987 119.771 118.700 0.139 0.000 2.454 134 N HA 0.337 5.076 4.740 -0.001 0.000 0.254 134 N C -0.321 175.367 175.510 0.296 0.000 1.228 134 N CA 0.629 53.824 53.050 0.242 0.000 0.900 134 N CB 0.882 39.488 38.487 0.198 0.000 1.089 134 N HN 0.446 nan 8.380 nan 0.000 0.449 135 T N 1.984 116.757 114.554 0.365 0.000 2.767 135 T HA 0.345 4.694 4.350 -0.001 0.000 0.284 135 T C 0.055 174.872 174.700 0.195 0.000 0.973 135 T CA -0.558 61.724 62.100 0.303 0.000 0.996 135 T CB 1.083 70.129 68.868 0.297 0.000 0.927 135 T HN 0.220 nan 8.240 nan 0.000 0.456 136 L N 3.521 124.781 121.223 0.062 0.000 2.276 136 L HA 0.725 5.065 4.340 -0.001 0.000 0.286 136 L C -0.251 176.589 176.870 -0.050 0.000 1.024 136 L CA -0.580 54.237 54.840 -0.038 0.000 0.826 136 L CB 0.554 42.550 42.059 -0.106 0.000 1.211 136 L HN 0.752 nan 8.230 nan 0.000 0.422 137 A N 4.991 127.726 122.820 -0.141 0.000 2.654 137 A HA 0.660 4.979 4.320 -0.001 0.000 0.345 137 A C 0.898 178.456 177.584 -0.044 0.000 1.368 137 A CA -0.048 51.959 52.037 -0.051 0.000 0.895 137 A CB 0.229 19.263 19.000 0.057 0.000 1.143 137 A HN 1.069 nan 8.150 nan 0.000 0.490 138 A N 2.123 124.929 122.820 -0.023 0.000 1.897 138 A HA 0.272 4.592 4.320 -0.001 0.000 0.203 138 A C 0.558 178.160 177.584 0.029 0.000 1.491 138 A CA 0.837 52.868 52.037 -0.010 0.000 1.578 138 A CB -1.626 17.369 19.000 -0.009 0.000 0.694 138 A HN 1.128 nan 8.150 nan 0.000 0.626 139 I N -5.090 115.515 120.570 0.058 0.000 3.067 139 I HA 0.690 4.860 4.170 -0.001 0.000 0.312 139 I C -2.965 173.214 176.117 0.102 0.000 1.073 139 I CA -3.426 57.922 61.300 0.080 0.000 1.016 139 I CB 0.816 38.874 38.000 0.097 0.000 1.227 139 I HN -0.213 nan 8.210 nan 0.000 0.456 140 P HA 0.278 nan 4.420 nan 0.000 0.271 140 P C -0.370 177.056 177.300 0.210 0.000 1.218 140 P CA -0.174 62.986 63.100 0.101 0.000 0.780 140 P CB 0.685 32.321 31.700 -0.106 0.000 0.901 141 T N -0.615 114.093 114.554 0.256 0.000 2.281 141 T HA 0.494 4.843 4.350 -0.001 0.000 0.180 141 T C 1.119 175.993 174.700 0.290 0.000 0.683 141 T CA 0.312 62.572 62.100 0.267 0.000 1.735 141 T CB -1.054 67.959 68.868 0.241 0.000 3.036 141 T HN 0.551 nan 8.240 nan 0.000 0.399 142 G N 2.953 111.872 108.800 0.199 0.000 2.672 142 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.324 142 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.324 142 G C -1.627 173.303 174.900 0.051 0.000 1.286 142 G CA 0.544 45.719 45.100 0.126 0.000 1.004 142 G HN 0.756 nan 8.290 nan 0.000 0.548 143 P HA 0.212 nan 4.420 nan 0.000 0.257 143 P C -0.178 177.008 177.300 -0.190 0.000 1.325 143 P CA 0.257 63.251 63.100 -0.178 0.000 0.850 143 P CB -0.119 31.437 31.700 -0.239 0.000 1.324 144 H N 0.572 119.759 119.070 0.194 0.000 2.761 144 H HA 0.159 4.715 4.556 -0.001 0.000 0.284 144 H C 1.422 176.814 175.328 0.107 0.000 1.105 144 H CA -0.551 55.583 56.048 0.143 0.000 1.352 144 H CB 1.462 31.278 29.762 0.089 0.000 1.423 144 H HN 0.001 nan 8.280 nan 0.000 0.464 145 I N 3.387 123.978 120.570 0.035 0.000 2.285 145 I HA -0.368 3.802 4.170 -0.001 0.000 0.253 145 I C 1.564 177.565 176.117 -0.193 0.000 1.104 145 I CA 1.073 62.090 61.300 -0.473 0.000 1.372 145 I CB 0.159 37.893 38.000 -0.443 0.000 1.057 145 I HN 0.333 nan 8.210 nan 0.000 0.431 146 V N 1.062 120.976 119.914 -0.000 0.000 2.332 146 V HA -0.278 3.842 4.120 -0.001 0.000 0.248 146 V C 2.568 178.684 176.094 0.037 0.000 1.055 146 V CA 2.086 64.399 62.300 0.022 0.000 1.038 146 V CB -1.774 30.087 31.823 0.062 0.000 0.651 146 V HN 0.666 nan 8.190 nan 0.000 0.450 147 G N -0.099 108.761 108.800 0.100 0.000 2.586 147 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.218 147 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.218 147 G C 1.808 176.686 174.900 -0.036 0.000 1.216 147 G CA 1.568 46.744 45.100 0.126 0.000 0.786 147 G HN 0.644 nan 8.290 nan 0.000 0.583 148 A N 0.801 123.585 122.820 -0.061 0.000 1.873 148 A HA -0.106 4.213 4.320 -0.001 0.000 0.218 148 A C 2.446 179.914 177.584 -0.193 0.000 1.193 148 A CA 1.742 53.701 52.037 -0.130 0.000 0.629 148 A CB -0.540 18.399 19.000 -0.103 0.000 0.826 148 A HN 0.430 nan 8.150 nan 0.000 0.447 149 I N 0.102 120.570 120.570 -0.169 0.000 2.068 149 I HA -0.397 3.773 4.170 -0.001 0.000 0.238 149 I C 2.392 178.433 176.117 -0.128 0.000 1.046 149 I CA 1.980 63.194 61.300 -0.143 0.000 1.306 149 I CB -0.621 37.324 38.000 -0.092 0.000 1.023 149 I HN 0.457 nan 8.210 nan 0.000 0.399 150 N N 0.444 119.103 118.700 -0.067 0.000 2.166 150 N HA -0.211 4.528 4.740 -0.001 0.000 0.186 150 N C 1.924 177.371 175.510 -0.104 0.000 1.019 150 N CA 0.932 53.983 53.050 0.001 0.000 0.856 150 N CB -0.216 38.388 38.487 0.194 0.000 0.993 150 N HN 0.307 nan 8.380 nan 0.000 0.426 151 K N 1.810 121.904 120.400 -0.511 0.000 2.059 151 K HA -0.229 4.090 4.320 -0.001 0.000 0.212 151 K C 1.853 178.240 176.600 -0.356 0.000 1.050 151 K CA 1.493 57.242 56.287 -0.896 0.000 0.927 151 K CB -0.256 31.640 32.500 -1.007 0.000 0.714 151 K HN 0.116 nan 8.250 nan 0.000 0.447 152 E N 0.873 120.916 120.200 -0.261 0.000 2.012 152 E HA -0.203 4.146 4.350 -0.001 0.000 0.197 152 E C 2.113 178.628 176.600 -0.141 0.000 1.007 152 E CA 1.808 58.097 56.400 -0.185 0.000 0.816 152 E CB -0.370 29.219 29.700 -0.185 0.000 0.762 152 E HN 0.249 nan 8.360 nan 0.000 0.451 153 R N 0.019 120.440 120.500 -0.131 0.000 2.159 153 R HA -0.308 4.031 4.340 -0.001 0.000 0.249 153 R C 2.200 178.458 176.300 -0.071 0.000 1.136 153 R CA 2.204 58.239 56.100 -0.109 0.000 0.951 153 R CB -0.834 29.416 30.300 -0.085 0.000 0.876 153 R HN 0.298 nan 8.270 nan 0.000 0.440 154 A N 1.002 123.826 122.820 0.007 0.000 1.948 154 A HA -0.166 4.153 4.320 -0.001 0.000 0.220 154 A C 2.304 179.920 177.584 0.053 0.000 1.177 154 A CA 1.664 53.755 52.037 0.090 0.000 0.636 154 A CB -0.563 18.613 19.000 0.293 0.000 0.815 154 A HN 0.431 nan 8.150 nan 0.000 0.449 155 L N -1.319 119.905 121.223 0.002 0.000 2.362 155 L HA -0.095 4.245 4.340 -0.001 0.000 0.219 155 L C 2.364 179.225 176.870 -0.015 0.000 1.134 155 L CA 0.776 55.614 54.840 -0.004 0.000 0.807 155 L CB -0.324 41.712 42.059 -0.038 0.000 0.927 155 L HN 0.354 nan 8.230 nan 0.000 0.447 156 R N -0.215 120.258 120.500 -0.045 0.000 2.317 156 R HA 0.147 4.486 4.340 -0.001 0.000 0.208 156 R C 1.093 177.368 176.300 -0.042 0.000 0.914 156 R CA 0.254 56.317 56.100 -0.061 0.000 1.060 156 R CB 0.250 30.479 30.300 -0.119 0.000 1.015 156 R HN 0.355 nan 8.270 nan 0.000 0.498 157 L N 0.363 121.578 121.223 -0.013 0.000 2.872 157 L HA 0.279 4.618 4.340 -0.001 0.000 0.245 157 L C 0.429 177.385 176.870 0.143 0.000 1.211 157 L CA -0.339 54.518 54.840 0.028 0.000 1.013 157 L CB 0.652 42.651 42.059 -0.100 0.000 1.326 157 L HN 0.216 nan 8.230 nan 0.000 0.525 158 G N 1.024 109.881 108.800 0.096 0.000 2.334 158 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.279 158 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.279 158 G C 0.308 175.285 174.900 0.129 0.000 0.918 158 G CA 0.365 45.524 45.100 0.098 0.000 1.314 158 G HN 0.613 nan 8.290 nan 0.000 0.463 159 G N -0.064 108.820 108.800 0.141 0.000 2.554 159 G HA2 0.753 4.712 3.960 -0.001 0.000 0.306 159 G HA3 0.753 4.712 3.960 -0.001 0.000 0.306 159 G C -0.332 174.664 174.900 0.159 0.000 1.320 159 G CA -0.514 44.683 45.100 0.161 0.000 0.800 159 G HN 0.617 nan 8.290 nan 0.000 0.481 160 M N -0.156 119.554 119.600 0.183 0.000 2.753 160 M HA 0.562 5.041 4.480 -0.001 0.000 0.299 160 M C -0.949 175.452 176.300 0.169 0.000 1.219 160 M CA -0.693 54.670 55.300 0.105 0.000 0.900 160 M CB 2.125 34.682 32.600 -0.072 0.000 1.628 160 M HN 0.381 nan 8.290 nan 0.000 0.502 161 F N 1.893 121.785 119.950 -0.098 0.000 2.350 161 F HA 0.506 5.033 4.527 -0.001 0.000 0.365 161 F C -1.622 174.066 175.800 -0.185 0.000 1.122 161 F CA -0.639 57.337 58.000 -0.040 0.000 1.139 161 F CB 0.188 39.169 39.000 -0.032 0.000 1.220 161 F HN 0.255 nan 8.300 nan 0.000 0.499 162 F N 4.378 124.052 119.950 -0.460 0.000 2.404 162 F HA 0.550 5.077 4.527 -0.001 0.000 0.339 162 F C 0.535 175.881 175.800 -0.756 0.000 1.105 162 F CA -0.234 57.494 58.000 -0.453 0.000 1.087 162 F CB 1.592 40.452 39.000 -0.234 0.000 1.143 162 F HN 0.543 nan 8.300 nan 0.000 0.491 163 S N 3.236 118.718 115.700 -0.362 0.000 2.998 163 S HA 0.885 5.354 4.470 -0.001 0.000 0.323 163 S C -0.805 173.748 174.600 -0.077 0.000 1.141 163 S CA -0.846 57.194 58.200 -0.267 0.000 0.873 163 S CB 1.869 64.929 63.200 -0.233 0.000 1.315 163 S HN 0.625 nan 8.310 nan 0.000 0.637 164 I N -1.778 118.769 120.570 -0.039 0.000 2.802 164 I HA 0.566 4.735 4.170 -0.001 0.000 0.298 164 I C -1.742 174.389 176.117 0.022 0.000 1.176 164 I CA -0.978 60.308 61.300 -0.025 0.000 1.025 164 I CB 1.971 39.925 38.000 -0.077 0.000 1.243 164 I HN 0.399 nan 8.210 nan 0.000 0.424 165 D N 4.421 124.846 120.400 0.042 0.000 2.423 165 D HA 0.517 5.156 4.640 -0.001 0.000 0.238 165 D C -0.427 175.943 176.300 0.117 0.000 1.142 165 D CA 0.817 54.880 54.000 0.105 0.000 0.884 165 D CB 2.227 43.118 40.800 0.152 0.000 1.199 165 D HN 0.691 nan 8.370 nan 0.000 0.438 166 I N 0.717 121.409 120.570 0.202 0.000 2.767 166 I HA 0.036 4.205 4.170 -0.001 0.000 0.281 166 I C -2.190 174.080 176.117 0.255 0.000 1.532 166 I CA -0.438 61.024 61.300 0.271 0.000 1.103 166 I CB 1.697 39.789 38.000 0.154 0.000 1.466 166 I HN 0.038 nan 8.210 nan 0.000 0.421 167 D N 9.727 130.311 120.400 0.308 0.000 2.438 167 D HA 0.472 5.111 4.640 -0.001 0.000 0.257 167 D C -2.005 174.352 176.300 0.095 0.000 1.148 167 D CA -2.325 51.773 54.000 0.163 0.000 0.902 167 D CB 1.773 42.645 40.800 0.120 0.000 1.062 167 D HN 0.312 nan 8.370 nan 0.000 0.518 168 P HA -0.058 nan 4.420 nan 0.000 0.226 168 P C 1.131 178.448 177.300 0.029 0.000 1.153 168 P CA 0.454 63.559 63.100 0.008 0.000 0.777 168 P CB 0.574 32.216 31.700 -0.097 0.000 0.794 169 R N -1.228 119.322 120.500 0.083 0.000 2.090 169 R HA -0.054 4.285 4.340 -0.001 0.000 0.228 169 R C 2.445 178.817 176.300 0.121 0.000 1.110 169 R CA 1.074 57.232 56.100 0.097 0.000 0.973 169 R CB -0.792 29.585 30.300 0.129 0.000 0.869 169 R HN 0.302 nan 8.270 nan 0.000 0.440 170 W N 1.238 122.468 121.300 -0.117 0.000 2.333 170 W HA -0.258 4.401 4.660 -0.001 0.000 0.316 170 W C 1.669 178.061 176.519 -0.212 0.000 1.215 170 W CA 1.481 58.715 57.345 -0.185 0.000 1.278 170 W CB -0.250 29.030 29.460 -0.300 0.000 1.154 170 W HN -0.110 nan 8.180 nan 0.000 0.486 171 V N 1.541 121.357 119.914 -0.165 0.000 2.231 171 V HA -0.380 3.739 4.120 -0.001 0.000 0.248 171 V C 2.539 178.533 176.094 -0.166 0.000 1.054 171 V CA 2.507 64.687 62.300 -0.201 0.000 1.015 171 V CB -1.013 30.773 31.823 -0.062 0.000 0.638 171 V HN 0.135 nan 8.190 nan 0.000 0.444 172 K N -0.693 119.654 120.400 -0.089 0.000 2.059 172 K HA -0.244 4.075 4.320 -0.001 0.000 0.212 172 K C 2.366 178.905 176.600 -0.102 0.000 1.050 172 K CA 1.946 58.192 56.287 -0.068 0.000 0.927 172 K CB -0.253 32.232 32.500 -0.025 0.000 0.714 172 K HN 0.430 nan 8.250 nan 0.000 0.447 173 R N 0.241 120.663 120.500 -0.130 0.000 2.070 173 R HA -0.069 4.270 4.340 -0.001 0.000 0.227 173 R C 2.560 178.732 176.300 -0.214 0.000 1.147 173 R CA 1.572 57.590 56.100 -0.137 0.000 0.924 173 R CB -0.516 29.719 30.300 -0.109 0.000 0.827 173 R HN 0.097 nan 8.270 nan 0.000 0.431 174 S N 1.760 117.227 115.700 -0.388 0.000 2.412 174 S HA -0.289 4.180 4.470 -0.001 0.000 0.246 174 S C 1.964 176.425 174.600 -0.231 0.000 1.073 174 S CA 1.848 59.800 58.200 -0.414 0.000 1.186 174 S CB -0.760 62.055 63.200 -0.641 0.000 1.084 174 S HN 0.258 nan 8.310 nan 0.000 0.434 175 L N 0.881 121.992 121.223 -0.187 0.000 2.030 175 L HA -0.241 4.098 4.340 -0.001 0.000 0.222 175 L C 2.040 178.858 176.870 -0.087 0.000 1.082 175 L CA 1.947 56.722 54.840 -0.108 0.000 0.785 175 L CB -0.313 41.702 42.059 -0.075 0.000 0.895 175 L HN 0.272 nan 8.230 nan 0.000 0.439 176 S N -1.356 114.293 115.700 -0.086 0.000 2.556 176 S HA 0.019 4.488 4.470 -0.001 0.000 0.216 176 S C 1.421 175.983 174.600 -0.064 0.000 0.970 176 S CA -0.174 57.989 58.200 -0.061 0.000 0.912 176 S CB 0.031 63.204 63.200 -0.044 0.000 0.790 176 S HN 0.402 nan 8.310 nan 0.000 0.504 177 E N 1.251 121.397 120.200 -0.090 0.000 2.106 177 E HA -0.040 4.309 4.350 -0.001 0.000 0.192 177 E C 1.694 178.254 176.600 -0.067 0.000 0.984 177 E CA 0.911 57.261 56.400 -0.084 0.000 0.806 177 E CB -0.266 29.363 29.700 -0.119 0.000 0.750 177 E HN 0.580 nan 8.360 nan 0.000 0.458 178 G N 1.860 110.617 108.800 -0.071 0.000 2.175 178 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.244 178 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.244 178 G C 0.466 175.328 174.900 -0.063 0.000 0.982 178 G CA 0.338 45.404 45.100 -0.056 0.000 0.641 178 G HN 0.203 nan 8.290 nan 0.000 0.527 179 D N 1.038 121.383 120.400 -0.092 0.000 2.404 179 D HA 0.000 4.639 4.640 -0.001 0.000 0.256 179 D C 2.127 178.378 176.300 -0.081 0.000 1.189 179 D CA 1.195 55.133 54.000 -0.103 0.000 0.965 179 D CB -0.385 40.306 40.800 -0.182 0.000 0.901 179 D HN 0.442 nan 8.370 nan 0.000 0.517 180 T N -0.850 113.670 114.554 -0.057 0.000 2.774 180 T HA -0.361 3.988 4.350 -0.001 0.000 0.264 180 T C 1.833 176.523 174.700 -0.017 0.000 1.037 180 T CA 2.120 64.199 62.100 -0.035 0.000 1.152 180 T CB -0.140 68.713 68.868 -0.024 0.000 0.842 180 T HN 0.317 nan 8.240 nan 0.000 0.483 181 A N 0.395 123.206 122.820 -0.015 0.000 1.940 181 A HA -0.161 4.159 4.320 -0.001 0.000 0.221 181 A C 2.504 180.103 177.584 0.025 0.000 1.190 181 A CA 2.993 55.032 52.037 0.004 0.000 0.647 181 A CB -1.073 17.929 19.000 0.004 0.000 0.821 181 A HN 0.844 nan 8.150 nan 0.000 0.457 182 T N -4.725 109.839 114.554 0.017 0.000 3.043 182 T HA 0.311 4.660 4.350 -0.001 0.000 0.272 182 T C 1.294 176.053 174.700 0.098 0.000 0.990 182 T CA 0.598 62.743 62.100 0.075 0.000 0.897 182 T CB 0.124 69.044 68.868 0.087 0.000 1.111 182 T HN 0.040 nan 8.240 nan 0.000 0.529 183 V N 1.731 121.659 119.914 0.024 0.000 2.295 183 V HA -0.078 4.042 4.120 -0.001 0.000 0.246 183 V C 3.004 179.181 176.094 0.138 0.000 1.049 183 V CA 1.438 63.773 62.300 0.058 0.000 1.024 183 V CB -0.617 31.209 31.823 0.006 0.000 0.648 183 V HN 0.317 nan 8.190 nan 0.000 0.447 184 R N 0.249 120.808 120.500 0.098 0.000 2.115 184 R HA -0.022 4.318 4.340 -0.001 0.000 0.226 184 R C 2.235 178.620 176.300 0.141 0.000 1.100 184 R CA 1.122 57.285 56.100 0.105 0.000 0.980 184 R CB -0.420 29.917 30.300 0.061 0.000 0.875 184 R HN 0.482 nan 8.270 nan 0.000 0.445 185 K N -0.752 119.734 120.400 0.143 0.000 2.009 185 K HA -0.208 4.112 4.320 -0.001 0.000 0.210 185 K C 2.075 178.820 176.600 0.241 0.000 1.049 185 K CA 1.646 58.030 56.287 0.161 0.000 0.929 185 K CB -0.525 32.063 32.500 0.147 0.000 0.714 185 K HN 0.145 nan 8.250 nan 0.000 0.440 186 Y N 2.380 122.800 120.300 0.200 0.000 2.081 186 Y HA -0.312 4.237 4.550 -0.001 0.000 0.280 186 Y C 2.510 178.558 175.900 0.247 0.000 1.163 186 Y CA 2.393 60.654 58.100 0.268 0.000 1.135 186 Y CB -0.683 37.956 38.460 0.299 0.000 0.970 186 Y HN 0.141 nan 8.280 nan 0.000 0.498 187 T N -0.524 114.195 114.554 0.274 0.000 2.624 187 T HA -0.361 3.988 4.350 -0.001 0.000 0.268 187 T C 1.827 176.573 174.700 0.076 0.000 1.041 187 T CA 1.870 64.063 62.100 0.154 0.000 1.159 187 T CB -0.928 68.032 68.868 0.154 0.000 0.863 187 T HN 0.579 nan 8.240 nan 0.000 0.434 188 H N 0.716 119.809 119.070 0.037 0.000 2.321 188 H HA -0.254 4.301 4.556 -0.001 0.000 0.295 188 H C 2.428 177.752 175.328 -0.007 0.000 1.102 188 H CA 2.591 58.649 56.048 0.018 0.000 1.266 188 H CB -0.403 29.381 29.762 0.036 0.000 1.363 188 H HN 0.587 nan 8.280 nan 0.000 0.492 189 H N 0.491 119.508 119.070 -0.088 0.000 2.319 189 H HA -0.108 4.448 4.556 -0.001 0.000 0.299 189 H C 2.642 177.826 175.328 -0.239 0.000 1.092 189 H CA 2.136 58.062 56.048 -0.203 0.000 1.302 189 H CB -0.581 28.984 29.762 -0.327 0.000 1.373 189 H HN 0.306 nan 8.280 nan 0.000 0.497 190 L N -0.461 120.460 121.223 -0.504 0.000 1.994 190 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 190 L C 2.716 179.424 176.870 -0.270 0.000 1.071 190 L CA 1.278 55.866 54.840 -0.421 0.000 0.745 190 L CB -0.734 41.208 42.059 -0.195 0.000 0.892 190 L HN 0.186 nan 8.230 nan 0.000 0.431 191 V N -0.040 119.758 119.914 -0.193 0.000 2.278 191 V HA -0.351 3.768 4.120 -0.001 0.000 0.251 191 V C 2.217 178.181 176.094 -0.216 0.000 1.062 191 V CA 2.114 64.311 62.300 -0.171 0.000 1.038 191 V CB -0.657 31.084 31.823 -0.136 0.000 0.646 191 V HN 0.451 nan 8.190 nan 0.000 0.447 192 D N -0.583 119.645 120.400 -0.286 0.000 2.123 192 D HA -0.191 4.448 4.640 -0.001 0.000 0.196 192 D C 2.352 178.552 176.300 -0.165 0.000 0.992 192 D CA 1.364 55.223 54.000 -0.236 0.000 0.833 192 D CB -0.196 40.474 40.800 -0.215 0.000 0.954 192 D HN 0.534 nan 8.370 nan 0.000 0.455 193 Q N -0.150 119.530 119.800 -0.199 0.000 2.167 193 Q HA -0.069 4.270 4.340 -0.001 0.000 0.202 193 Q C 2.269 178.188 176.000 -0.135 0.000 0.970 193 Q CA 0.520 56.225 55.803 -0.162 0.000 0.855 193 Q CB 0.293 28.890 28.738 -0.234 0.000 0.911 193 Q HN 0.128 nan 8.270 nan 0.000 0.438 194 V N 0.501 120.328 119.914 -0.145 0.000 2.244 194 V HA -0.283 3.837 4.120 -0.001 0.000 0.244 194 V C 2.221 178.247 176.094 -0.113 0.000 1.042 194 V CA 1.524 63.752 62.300 -0.119 0.000 1.006 194 V CB -0.678 31.083 31.823 -0.104 0.000 0.641 194 V HN 0.402 nan 8.190 nan 0.000 0.446 195 Q N 0.183 119.919 119.800 -0.108 0.000 2.094 195 Q HA -0.369 3.971 4.340 -0.001 0.000 0.217 195 Q C 2.146 178.088 176.000 -0.096 0.000 1.046 195 Q CA 2.744 58.489 55.803 -0.097 0.000 0.911 195 Q CB -0.644 28.034 28.738 -0.099 0.000 1.038 195 Q HN 0.664 nan 8.270 nan 0.000 0.422 196 N N -0.751 117.893 118.700 -0.093 0.000 2.058 196 N HA -0.102 4.637 4.740 -0.001 0.000 0.191 196 N C 1.833 177.283 175.510 -0.100 0.000 1.037 196 N CA 1.928 54.931 53.050 -0.079 0.000 0.848 196 N CB -0.862 37.590 38.487 -0.058 0.000 1.021 196 N HN 0.229 nan 8.380 nan 0.000 0.422 197 T N 1.803 116.284 114.554 -0.123 0.000 2.788 197 T HA 0.029 4.379 4.350 -0.001 0.000 0.268 197 T C 1.995 176.551 174.700 -0.239 0.000 1.044 197 T CA 0.495 62.477 62.100 -0.198 0.000 1.139 197 T CB -0.209 68.528 68.868 -0.219 0.000 0.867 197 T HN 0.131 nan 8.240 nan 0.000 0.454 198 L N 0.248 121.362 121.223 -0.181 0.000 2.042 198 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 198 L C 2.565 179.347 176.870 -0.146 0.000 1.076 198 L CA 1.017 55.757 54.840 -0.166 0.000 0.749 198 L CB -0.470 41.514 42.059 -0.124 0.000 0.893 198 L HN 0.308 nan 8.230 nan 0.000 0.432 199 M N -0.858 118.670 119.600 -0.120 0.000 2.334 199 M HA -0.066 4.414 4.480 -0.001 0.000 0.266 199 M C 1.493 177.735 176.300 -0.096 0.000 1.082 199 M CA 1.484 56.728 55.300 -0.094 0.000 1.141 199 M CB -1.250 31.308 32.600 -0.070 0.000 1.380 199 M HN 0.226 nan 8.290 nan 0.000 0.440 200 N N -0.709 117.924 118.700 -0.111 0.000 2.282 200 N HA 0.048 4.788 4.740 -0.001 0.000 0.185 200 N C -0.190 175.256 175.510 -0.107 0.000 1.099 200 N CA 0.292 53.289 53.050 -0.089 0.000 0.878 200 N CB 0.505 38.957 38.487 -0.057 0.000 0.993 200 N HN 0.151 nan 8.380 nan 0.000 0.481 201 Q N 0.363 120.050 119.800 -0.189 0.000 2.331 201 Q HA 0.167 4.506 4.340 -0.001 0.000 0.272 201 Q C -1.532 174.315 176.000 -0.255 0.000 1.062 201 Q CA -0.624 55.042 55.803 -0.227 0.000 0.806 201 Q CB 2.069 30.534 28.738 -0.454 0.000 1.312 201 Q HN 0.228 nan 8.270 nan 0.000 0.431 202 D N 2.354 122.648 120.400 -0.177 0.000 2.336 202 D HA 0.242 4.881 4.640 -0.001 0.000 0.249 202 D C 0.049 176.223 176.300 -0.209 0.000 1.213 202 D CA -0.465 53.431 54.000 -0.172 0.000 0.870 202 D CB 0.468 41.197 40.800 -0.118 0.000 1.076 202 D HN 0.366 nan 8.370 nan 0.000 0.483 203 I N 1.774 122.196 120.570 -0.247 0.000 2.460 203 I HA 0.482 4.652 4.170 -0.001 0.000 0.298 203 I C 0.323 176.288 176.117 -0.253 0.000 0.989 203 I CA -1.087 60.071 61.300 -0.237 0.000 1.173 203 I CB 1.878 39.717 38.000 -0.268 0.000 1.338 203 I HN 0.480 nan 8.210 nan 0.000 0.456 204 R N 4.007 124.302 120.500 -0.341 0.000 2.237 204 R HA 0.369 4.709 4.340 -0.001 0.000 0.195 204 R C -0.921 174.884 176.300 -0.825 0.000 0.956 204 R CA 0.811 56.492 56.100 -0.698 0.000 1.029 204 R CB 0.086 29.745 30.300 -1.068 0.000 0.972 204 R HN 0.632 nan 8.270 nan 0.000 0.493 205 F N -0.429 119.471 119.950 -0.082 0.000 2.574 205 F HA 0.386 4.912 4.527 -0.001 0.000 0.313 205 F C -0.987 174.762 175.800 -0.085 0.000 1.130 205 F CA -1.295 56.650 58.000 -0.092 0.000 0.936 205 F CB 1.693 40.659 39.000 -0.057 0.000 1.219 205 F HN -0.259 nan 8.300 nan 0.000 0.445 206 L N 3.414 124.676 121.223 0.064 0.000 2.362 206 L HA 0.938 5.277 4.340 -0.001 0.000 0.271 206 L C -1.507 175.375 176.870 0.020 0.000 1.002 206 L CA -0.662 54.185 54.840 0.011 0.000 0.818 206 L CB 2.069 44.103 42.059 -0.042 0.000 1.298 206 L HN 0.396 nan 8.230 nan 0.000 0.420 207 V N 4.315 124.246 119.914 0.029 0.000 2.409 207 V HA 0.776 4.895 4.120 -0.001 0.000 0.291 207 V C -0.002 176.116 176.094 0.039 0.000 1.020 207 V CA -0.034 62.291 62.300 0.042 0.000 0.848 207 V CB 0.919 32.784 31.823 0.071 0.000 0.990 207 V HN 0.995 nan 8.190 nan 0.000 0.430 208 T N 2.680 117.262 114.554 0.048 0.000 2.628 208 T HA 0.681 5.031 4.350 -0.001 0.000 0.274 208 T C -0.745 173.998 174.700 0.072 0.000 1.154 208 T CA 0.498 62.629 62.100 0.051 0.000 1.144 208 T CB 1.810 70.699 68.868 0.035 0.000 1.734 208 T HN 0.914 nan 8.240 nan 0.000 0.449 209 T N -0.460 114.137 114.554 0.072 0.000 2.894 209 T HA 0.597 4.946 4.350 -0.001 0.000 0.309 209 T C -2.535 172.214 174.700 0.081 0.000 1.208 209 T CA -1.310 60.839 62.100 0.082 0.000 1.016 209 T CB 1.483 70.396 68.868 0.075 0.000 1.192 209 T HN 0.268 nan 8.240 nan 0.000 0.491 210 P HA 0.045 nan 4.420 nan 0.000 0.215 210 P C -1.623 175.715 177.300 0.064 0.000 1.153 210 P CA 1.217 64.364 63.100 0.078 0.000 0.853 210 P CB -1.106 30.638 31.700 0.072 0.000 0.788 211 P HA -0.115 nan 4.420 nan 0.000 0.216 211 P C 1.714 179.044 177.300 0.051 0.000 1.150 211 P CA 1.035 64.167 63.100 0.052 0.000 0.837 211 P CB -0.377 31.355 31.700 0.054 0.000 0.786 212 V N -0.528 119.417 119.914 0.052 0.000 2.323 212 V HA -0.175 3.944 4.120 -0.001 0.000 0.244 212 V C 2.290 178.404 176.094 0.035 0.000 1.041 212 V CA 1.401 63.724 62.300 0.038 0.000 1.025 212 V CB -1.114 30.729 31.823 0.033 0.000 0.656 212 V HN 0.038 nan 8.190 nan 0.000 0.451 213 L N 0.185 121.438 121.223 0.050 0.000 2.265 213 L HA -0.130 4.209 4.340 -0.001 0.000 0.215 213 L C 2.375 179.279 176.870 0.056 0.000 1.117 213 L CA 1.883 56.758 54.840 0.059 0.000 0.782 213 L CB -0.650 41.467 42.059 0.096 0.000 0.914 213 L HN 0.211 nan 8.230 nan 0.000 0.441 214 R N -0.264 120.267 120.500 0.051 0.000 2.056 214 R HA -0.129 4.210 4.340 -0.001 0.000 0.227 214 R C 2.120 178.443 176.300 0.038 0.000 1.149 214 R CA 1.712 57.839 56.100 0.045 0.000 0.937 214 R CB -0.328 29.996 30.300 0.040 0.000 0.835 214 R HN 0.438 nan 8.270 nan 0.000 0.430 215 E N 0.596 120.818 120.200 0.037 0.000 2.273 215 E HA -0.208 4.142 4.350 -0.001 0.000 0.198 215 E C 1.928 178.542 176.600 0.024 0.000 1.002 215 E CA 0.732 57.155 56.400 0.037 0.000 0.828 215 E CB 0.000 29.727 29.700 0.045 0.000 0.747 215 E HN 0.343 nan 8.360 nan 0.000 0.491 216 L N 0.183 121.417 121.223 0.018 0.000 2.109 216 L HA -0.081 4.258 4.340 -0.001 0.000 0.207 216 L C 1.828 178.707 176.870 0.015 0.000 1.086 216 L CA 1.160 56.004 54.840 0.006 0.000 0.760 216 L CB -0.144 41.918 42.059 0.006 0.000 0.910 216 L HN 0.220 nan 8.230 nan 0.000 0.437 217 L N -0.887 120.354 121.223 0.031 0.000 2.627 217 L HA -0.025 4.315 4.340 -0.001 0.000 0.232 217 L C 1.830 178.720 176.870 0.032 0.000 1.150 217 L CA 0.150 55.011 54.840 0.035 0.000 0.917 217 L CB -0.274 41.818 42.059 0.054 0.000 1.104 217 L HN 0.077 nan 8.230 nan 0.000 0.445 218 K N 0.693 121.109 120.400 0.028 0.000 2.459 218 K HA 0.099 4.419 4.320 -0.001 0.000 0.193 218 K C 0.286 176.899 176.600 0.021 0.000 1.030 218 K CA 0.267 56.570 56.287 0.027 0.000 1.026 218 K CB 0.219 32.738 32.500 0.031 0.000 0.809 218 K HN 0.299 nan 8.250 nan 0.000 0.504 219 R N 1.197 121.706 120.500 0.014 0.000 2.471 219 R HA 0.133 4.473 4.340 -0.001 0.000 0.292 219 R C -2.129 174.172 176.300 0.002 0.000 1.192 219 R CA -1.785 54.318 56.100 0.006 0.000 1.257 219 R CB 0.565 30.861 30.300 -0.006 0.000 1.130 219 R HN -0.106 nan 8.270 nan 0.000 0.558 220 P HA -0.327 nan 4.420 nan 0.000 0.226 220 P C 1.006 178.302 177.300 -0.006 0.000 1.154 220 P CA 1.637 64.738 63.100 0.002 0.000 0.901 220 P CB 0.328 32.030 31.700 0.003 0.000 0.788 221 E N -1.121 119.073 120.200 -0.011 0.000 2.385 221 E HA 0.005 4.354 4.350 -0.001 0.000 0.194 221 E C 1.893 178.478 176.600 -0.026 0.000 1.013 221 E CA 0.482 56.871 56.400 -0.018 0.000 0.866 221 E CB -1.302 28.387 29.700 -0.019 0.000 0.832 221 E HN 0.113 nan 8.360 nan 0.000 0.500 222 V N 1.314 121.212 119.914 -0.025 0.000 2.346 222 V HA -0.169 3.950 4.120 -0.001 0.000 0.244 222 V C 2.564 178.641 176.094 -0.028 0.000 1.037 222 V CA 1.363 63.642 62.300 -0.034 0.000 1.029 222 V CB -0.232 31.570 31.823 -0.035 0.000 0.663 222 V HN 0.114 nan 8.190 nan 0.000 0.454 223 V N 0.343 120.248 119.914 -0.015 0.000 2.324 223 V HA -0.305 3.814 4.120 -0.001 0.000 0.250 223 V C 2.305 178.389 176.094 -0.016 0.000 1.060 223 V CA 2.124 64.420 62.300 -0.007 0.000 1.042 223 V CB -0.851 30.975 31.823 0.005 0.000 0.650 223 V HN 0.446 nan 8.190 nan 0.000 0.450 224 L N -0.415 120.796 121.223 -0.020 0.000 1.994 224 L HA -0.233 4.106 4.340 -0.001 0.000 0.208 224 L C 2.698 179.546 176.870 -0.037 0.000 1.071 224 L CA 1.947 56.771 54.840 -0.026 0.000 0.745 224 L CB -0.852 41.193 42.059 -0.023 0.000 0.892 224 L HN 0.313 nan 8.230 nan 0.000 0.431 225 Q N 0.277 120.051 119.800 -0.043 0.000 2.112 225 Q HA -0.248 4.092 4.340 -0.001 0.000 0.206 225 Q C 2.203 178.163 176.000 -0.066 0.000 0.987 225 Q CA 2.036 57.804 55.803 -0.058 0.000 0.858 225 Q CB -0.265 28.434 28.738 -0.066 0.000 0.905 225 Q HN 0.403 nan 8.270 nan 0.000 0.420 226 M N -0.558 119.009 119.600 -0.055 0.000 2.132 226 M HA -0.157 4.322 4.480 -0.001 0.000 0.263 226 M C 2.069 178.337 176.300 -0.054 0.000 1.065 226 M CA 1.491 56.757 55.300 -0.056 0.000 1.122 226 M CB -0.150 32.431 32.600 -0.031 0.000 1.365 226 M HN 0.101 nan 8.290 nan 0.000 0.411 227 K N -0.233 120.145 120.400 -0.038 0.000 2.147 227 K HA -0.220 4.099 4.320 -0.001 0.000 0.205 227 K C 2.049 178.617 176.600 -0.052 0.000 1.049 227 K CA 1.295 57.561 56.287 -0.036 0.000 0.936 227 K CB -0.071 32.412 32.500 -0.029 0.000 0.722 227 K HN 0.197 nan 8.250 nan 0.000 0.446 228 Q N 0.522 120.286 119.800 -0.059 0.000 2.033 228 Q HA -0.076 4.264 4.340 -0.001 0.000 0.196 228 Q C 1.892 177.837 176.000 -0.092 0.000 0.970 228 Q CA 2.218 57.981 55.803 -0.068 0.000 0.828 228 Q CB -0.047 28.653 28.738 -0.063 0.000 0.895 228 Q HN 0.222 nan 8.270 nan 0.000 0.440 229 S N -1.413 114.221 115.700 -0.110 0.000 2.497 229 S HA 0.251 4.720 4.470 -0.001 0.000 0.221 229 S C 0.671 175.154 174.600 -0.196 0.000 1.037 229 S CA -0.433 57.679 58.200 -0.146 0.000 0.920 229 S CB -0.043 63.069 63.200 -0.147 0.000 0.800 229 S HN 0.242 nan 8.310 nan 0.000 0.505 230 L N 1.411 122.528 121.223 -0.176 0.000 2.417 230 L HA 0.536 4.875 4.340 -0.001 0.000 0.268 230 L C 1.170 177.904 176.870 -0.228 0.000 1.158 230 L CA 0.115 54.825 54.840 -0.217 0.000 0.819 230 L CB 1.181 43.135 42.059 -0.175 0.000 1.112 230 L HN 0.405 nan 8.230 nan 0.000 0.458 231 A N 1.609 124.261 122.820 -0.280 0.000 2.140 231 A HA 0.186 4.505 4.320 -0.001 0.000 0.199 231 A C 0.225 177.727 177.584 -0.137 0.000 1.416 231 A CA 0.196 52.105 52.037 -0.213 0.000 1.018 231 A CB 0.762 19.589 19.000 -0.287 0.000 1.117 231 A HN 0.608 nan 8.150 nan 0.000 0.480 232 Q N 0.031 119.764 119.800 -0.111 0.000 2.353 232 Q HA 0.591 4.930 4.340 -0.001 0.000 0.275 232 Q C -2.388 173.495 176.000 -0.196 0.000 1.029 232 Q CA -0.206 55.535 55.803 -0.103 0.000 0.848 232 Q CB 1.702 30.527 28.738 0.145 0.000 1.390 232 Q HN 0.372 nan 8.270 nan 0.000 0.401 233 I N 2.444 122.779 120.570 -0.391 0.000 2.534 233 I HA 0.331 4.501 4.170 -0.001 0.000 0.288 233 I C -0.664 175.340 176.117 -0.188 0.000 1.077 233 I CA -0.513 60.577 61.300 -0.349 0.000 1.051 233 I CB 2.561 40.170 38.000 -0.651 0.000 1.234 233 I HN 0.467 nan 8.210 nan 0.000 0.425 234 T N 6.844 121.361 114.554 -0.063 0.000 2.771 234 T HA 0.580 4.930 4.350 -0.001 0.000 0.281 234 T C -0.279 174.459 174.700 0.063 0.000 0.982 234 T CA -0.514 61.591 62.100 0.008 0.000 0.978 234 T CB 1.244 70.121 68.868 0.015 0.000 0.930 234 T HN 0.265 nan 8.240 nan 0.000 0.447 235 L N 2.829 124.118 121.223 0.109 0.000 2.313 235 L HA 0.731 5.070 4.340 -0.001 0.000 0.283 235 L C 0.742 177.707 176.870 0.159 0.000 1.013 235 L CA -0.600 54.321 54.840 0.135 0.000 0.816 235 L CB 1.662 43.821 42.059 0.166 0.000 1.236 235 L HN 0.847 nan 8.230 nan 0.000 0.419 236 G N 0.919 109.807 108.800 0.147 0.000 3.217 236 G HA2 0.761 4.720 3.960 -0.001 0.000 0.213 236 G HA3 0.761 4.720 3.960 -0.001 0.000 0.213 236 G C -0.148 174.840 174.900 0.147 0.000 1.294 236 G CA -0.303 44.898 45.100 0.170 0.000 0.987 236 G HN 0.920 nan 8.290 nan 0.000 0.584 237 G N -1.811 107.074 108.800 0.142 0.000 2.796 237 G HA2 0.216 4.176 3.960 -0.001 0.000 0.226 237 G HA3 0.216 4.176 3.960 -0.001 0.000 0.226 237 G C 0.610 175.599 174.900 0.148 0.000 1.381 237 G CA 0.897 46.071 45.100 0.122 0.000 0.867 237 G HN 1.963 nan 8.290 nan 0.000 0.552 238 T N -3.660 110.964 114.554 0.116 0.000 3.200 238 T HA 0.450 4.799 4.350 -0.001 0.000 0.284 238 T C 0.789 175.533 174.700 0.073 0.000 1.009 238 T CA 0.671 62.830 62.100 0.098 0.000 0.907 238 T CB 0.832 69.745 68.868 0.076 0.000 1.120 238 T HN 0.395 nan 8.240 nan 0.000 0.534 239 E N 1.575 121.820 120.200 0.075 0.000 2.365 239 E HA 0.257 4.606 4.350 -0.001 0.000 0.188 239 E C 0.232 176.868 176.600 0.060 0.000 1.102 239 E CA -0.299 56.136 56.400 0.058 0.000 0.927 239 E CB -0.450 29.282 29.700 0.053 0.000 1.073 239 E HN 0.677 nan 8.360 nan 0.000 0.467 240 L N 1.958 123.226 121.223 0.075 0.000 2.562 240 L HA 0.012 4.351 4.340 -0.001 0.000 0.271 240 L C 0.781 177.680 176.870 0.049 0.000 1.167 240 L CA 0.143 55.029 54.840 0.077 0.000 0.917 240 L CB -0.007 42.117 42.059 0.108 0.000 1.187 240 L HN -0.076 nan 8.230 nan 0.000 0.482 241 N N 3.434 122.156 118.700 0.036 0.000 2.444 241 N HA 0.097 4.837 4.740 -0.001 0.000 0.262 241 N C 0.374 175.890 175.510 0.010 0.000 0.974 241 N CA -0.528 52.533 53.050 0.018 0.000 0.933 241 N CB 1.744 40.237 38.487 0.010 0.000 1.137 241 N HN 0.443 nan 8.380 nan 0.000 0.498 242 L N 3.996 125.222 121.223 0.005 0.000 2.023 242 L HA 0.025 4.364 4.340 -0.001 0.000 0.205 242 L C 1.271 178.133 176.870 -0.013 0.000 1.073 242 L CA 1.922 56.758 54.840 -0.005 0.000 0.745 242 L CB -0.491 41.566 42.059 -0.004 0.000 0.900 242 L HN 0.544 nan 8.230 nan 0.000 0.435 243 D N -0.625 119.772 120.400 -0.004 0.000 2.144 243 D HA -0.199 4.440 4.640 -0.001 0.000 0.200 243 D C 1.998 178.315 176.300 0.028 0.000 0.978 243 D CA 0.961 54.967 54.000 0.010 0.000 0.833 243 D CB -0.148 40.657 40.800 0.008 0.000 0.961 243 D HN 0.501 nan 8.370 nan 0.000 0.470 244 E N 0.297 120.501 120.200 0.006 0.000 2.219 244 E HA -0.159 4.190 4.350 -0.001 0.000 0.198 244 E C 2.091 178.694 176.600 0.006 0.000 0.998 244 E CA 0.618 57.026 56.400 0.013 0.000 0.818 244 E CB 0.038 29.735 29.700 -0.005 0.000 0.741 244 E HN 0.330 nan 8.360 nan 0.000 0.477 245 I N -0.227 120.311 120.570 -0.054 0.000 2.429 245 I HA -0.160 4.010 4.170 -0.001 0.000 0.247 245 I C 2.455 178.420 176.117 -0.253 0.000 1.099 245 I CA 0.546 61.731 61.300 -0.191 0.000 1.422 245 I CB -0.067 37.836 38.000 -0.162 0.000 1.112 245 I HN -0.074 nan 8.210 nan 0.000 0.430 246 K N 0.894 121.220 120.400 -0.125 0.000 2.063 246 K HA -0.212 4.108 4.320 -0.001 0.000 0.208 246 K C 1.959 178.496 176.600 -0.105 0.000 1.048 246 K CA 1.657 57.875 56.287 -0.114 0.000 0.928 246 K CB -0.374 32.098 32.500 -0.046 0.000 0.713 246 K HN 0.108 nan 8.250 nan 0.000 0.442 247 F N 1.225 121.095 119.950 -0.134 0.000 2.011 247 F HA -0.260 4.266 4.527 -0.001 0.000 0.296 247 F C 1.773 177.484 175.800 -0.148 0.000 1.144 247 F CA 1.911 59.843 58.000 -0.113 0.000 1.185 247 F CB -0.436 38.514 39.000 -0.082 0.000 0.961 247 F HN -0.037 nan 8.300 nan 0.000 0.485 248 I N 0.373 120.914 120.570 -0.050 0.000 2.181 248 I HA -0.441 3.728 4.170 -0.001 0.000 0.247 248 I C 2.523 178.423 176.117 -0.362 0.000 1.081 248 I CA 1.600 62.785 61.300 -0.193 0.000 1.340 248 I CB -0.948 36.923 38.000 -0.215 0.000 1.036 248 I HN 0.377 nan 8.210 nan 0.000 0.417 249 A N -0.884 121.648 122.820 -0.480 0.000 1.935 249 A HA -0.077 4.243 4.320 -0.001 0.000 0.214 249 A C 2.436 179.894 177.584 -0.210 0.000 1.178 249 A CA 1.392 53.196 52.037 -0.388 0.000 0.640 249 A CB -0.416 18.302 19.000 -0.469 0.000 0.825 249 A HN 0.320 nan 8.150 nan 0.000 0.447 250 S N -0.569 114.976 115.700 -0.259 0.000 2.357 250 S HA -0.075 4.394 4.470 -0.001 0.000 0.221 250 S C 1.992 176.420 174.600 -0.286 0.000 1.031 250 S CA 1.662 59.726 58.200 -0.227 0.000 0.982 250 S CB -0.115 62.956 63.200 -0.215 0.000 0.853 250 S HN 0.600 nan 8.310 nan 0.000 0.458 251 E N 0.793 120.694 120.200 -0.498 0.000 2.075 251 E HA 0.250 4.600 4.350 -0.001 0.000 0.193 251 E C 2.075 178.468 176.600 -0.345 0.000 0.950 251 E CA 0.389 56.454 56.400 -0.560 0.000 0.859 251 E CB -0.304 28.649 29.700 -1.246 0.000 0.846 251 E HN 0.284 nan 8.360 nan 0.000 0.467 252 I N 0.557 120.927 120.570 -0.334 0.000 2.110 252 I HA -0.130 4.039 4.170 -0.001 0.000 0.236 252 I C 0.528 176.607 176.117 -0.064 0.000 1.068 252 I CA 0.744 61.967 61.300 -0.127 0.000 1.333 252 I CB -0.439 37.537 38.000 -0.040 0.000 1.054 252 I HN 0.058 nan 8.210 nan 0.000 0.402 253 L N -0.869 120.334 121.223 -0.034 0.000 2.353 253 L HA 0.483 4.822 4.340 -0.001 0.000 0.270 253 L C -2.458 174.429 176.870 0.029 0.000 1.003 253 L CA -1.480 53.370 54.840 0.018 0.000 0.862 253 L CB 0.693 42.796 42.059 0.073 0.000 1.221 253 L HN -0.182 nan 8.230 nan 0.000 0.430 254 P HA 0.123 nan 4.420 nan 0.000 0.261 254 P C -0.593 176.709 177.300 0.004 0.000 1.268 254 P CA 0.489 63.572 63.100 -0.028 0.000 0.833 254 P CB 0.291 31.958 31.700 -0.055 0.000 1.231 255 D N -1.275 119.134 120.400 0.015 0.000 2.849 255 D HA 0.108 4.747 4.640 -0.001 0.000 0.314 255 D C -1.103 175.202 176.300 0.008 0.000 1.210 255 D CA -0.724 53.287 54.000 0.018 0.000 0.756 255 D CB -1.082 39.715 40.800 -0.006 0.000 1.222 255 D HN -0.122 nan 8.370 nan 0.000 0.521 256 C N 1.081 120.412 119.300 0.052 0.000 2.341 256 C HA 0.546 5.005 4.460 -0.001 0.000 0.338 256 C C 0.265 175.250 174.990 -0.008 0.000 1.257 256 C CA -0.309 58.677 59.018 -0.053 0.000 1.883 256 C CB 0.214 27.870 27.740 -0.140 0.000 2.334 256 C HN 0.453 nan 8.230 nan 0.000 0.524 257 E N 3.137 123.273 120.200 -0.106 0.000 2.349 257 E HA 0.462 4.811 4.350 -0.001 0.000 0.265 257 E C -1.418 175.044 176.600 -0.231 0.000 1.064 257 E CA -0.038 56.336 56.400 -0.043 0.000 0.886 257 E CB 0.986 30.641 29.700 -0.076 0.000 1.036 257 E HN 0.562 nan 8.360 nan 0.000 0.413 258 F N 0.960 120.877 119.950 -0.055 0.000 2.547 258 F HA 0.314 4.840 4.527 -0.001 0.000 0.316 258 F C -0.033 175.732 175.800 -0.057 0.000 1.121 258 F CA -0.451 57.523 58.000 -0.043 0.000 0.911 258 F CB 2.081 41.062 39.000 -0.032 0.000 1.179 258 F HN 0.468 nan 8.300 nan 0.000 0.443 259 S N 1.930 117.671 115.700 0.069 0.000 2.618 259 S HA 0.972 5.441 4.470 -0.001 0.000 0.277 259 S C -0.985 173.646 174.600 0.052 0.000 1.138 259 S CA -0.807 57.405 58.200 0.020 0.000 0.844 259 S CB 1.823 64.992 63.200 -0.051 0.000 1.127 259 S HN 0.860 nan 8.310 nan 0.000 0.474 260 A N 0.702 123.535 122.820 0.022 0.000 2.269 260 A HA 0.936 5.256 4.320 -0.001 0.000 0.327 260 A C -0.036 177.703 177.584 0.258 0.000 1.112 260 A CA -0.732 51.382 52.037 0.129 0.000 0.865 260 A CB 1.359 20.428 19.000 0.114 0.000 1.227 260 A HN 1.436 nan 8.150 nan 0.000 0.498 261 S N -1.325 114.611 115.700 0.393 0.000 2.536 261 S HA 0.599 5.068 4.470 -0.001 0.000 0.271 261 S C -2.041 172.816 174.600 0.428 0.000 1.134 261 S CA -0.357 58.076 58.200 0.389 0.000 0.897 261 S CB 1.302 64.636 63.200 0.224 0.000 1.094 261 S HN 1.256 nan 8.310 nan 0.000 0.473 262 Y N 2.367 122.778 120.300 0.184 0.000 2.354 262 Y HA 0.631 5.180 4.550 -0.001 0.000 0.330 262 Y C -0.082 175.862 175.900 0.072 0.000 1.011 262 Y CA -0.520 57.581 58.100 0.002 0.000 1.099 262 Y CB 1.337 39.558 38.460 -0.397 0.000 1.179 262 Y HN 0.805 nan 8.280 nan 0.000 0.442 263 G N 2.747 111.310 108.800 -0.395 0.000 2.339 263 G HA2 0.432 4.391 3.960 -0.001 0.000 0.287 263 G HA3 0.432 4.391 3.960 -0.001 0.000 0.287 263 G C -0.860 173.699 174.900 -0.569 0.000 1.163 263 G CA -0.649 44.257 45.100 -0.322 0.000 0.872 263 G HN 0.649 nan 8.290 nan 0.000 0.464 264 S N 1.553 117.084 115.700 -0.282 0.000 2.078 264 S HA 0.123 4.592 4.470 -0.001 0.000 0.168 264 S C 1.579 176.158 174.600 -0.036 0.000 1.542 264 S CA -0.108 58.007 58.200 -0.142 0.000 1.223 264 S CB 0.954 64.186 63.200 0.052 0.000 1.152 264 S HN 0.878 nan 8.310 nan 0.000 0.452 265 T N 1.094 115.609 114.554 -0.066 0.000 2.737 265 T HA -0.172 4.177 4.350 -0.001 0.000 0.269 265 T C 1.874 176.535 174.700 -0.065 0.000 1.040 265 T CA 2.212 64.289 62.100 -0.038 0.000 1.142 265 T CB -0.430 68.423 68.868 -0.026 0.000 0.861 265 T HN 0.552 nan 8.240 nan 0.000 0.456 266 S N 0.135 115.770 115.700 -0.108 0.000 2.603 266 S HA 0.487 4.956 4.470 -0.001 0.000 0.220 266 S C 1.650 176.143 174.600 -0.179 0.000 0.967 266 S CA 0.281 58.340 58.200 -0.235 0.000 0.920 266 S CB -0.167 62.879 63.200 -0.257 0.000 0.773 266 S HN 0.705 nan 8.310 nan 0.000 0.529 267 A N 1.156 123.985 122.820 0.016 0.000 2.500 267 A HA 0.613 4.932 4.320 -0.001 0.000 0.267 267 A C 0.866 178.614 177.584 0.275 0.000 1.290 267 A CA -0.591 51.559 52.037 0.188 0.000 0.928 267 A CB -0.701 18.425 19.000 0.210 0.000 1.066 267 A HN 0.630 nan 8.150 nan 0.000 0.516 268 L N -1.944 119.365 121.223 0.142 0.000 3.742 268 L HA -0.276 4.064 4.340 -0.001 0.000 0.431 268 L C 0.644 177.804 176.870 0.483 0.000 1.220 268 L CA 0.361 55.345 54.840 0.240 0.000 0.863 268 L CB -2.160 39.992 42.059 0.156 0.000 1.751 268 L HN 0.629 nan 8.230 nan 0.000 0.922 269 G N -0.998 107.990 108.800 0.313 0.000 2.495 269 G HA2 0.664 4.623 3.960 -0.001 0.000 0.294 269 G HA3 0.664 4.623 3.960 -0.001 0.000 0.294 269 G C -1.131 173.873 174.900 0.172 0.000 1.397 269 G CA -0.029 45.252 45.100 0.302 0.000 0.790 269 G HN 0.531 nan 8.290 nan 0.000 0.486 270 V N -2.207 117.819 119.914 0.186 0.000 2.577 270 V HA 0.833 4.953 4.120 -0.001 0.000 0.303 270 V C 0.017 176.321 176.094 0.350 0.000 1.042 270 V CA -0.805 61.612 62.300 0.195 0.000 0.872 270 V CB 1.159 33.079 31.823 0.161 0.000 0.998 270 V HN 0.824 nan 8.190 nan 0.000 0.423 271 S N 4.115 120.070 115.700 0.426 0.000 2.601 271 S HA 0.603 5.072 4.470 -0.001 0.000 0.271 271 S C -0.016 174.960 174.600 0.628 0.000 1.305 271 S CA -0.664 57.920 58.200 0.639 0.000 1.022 271 S CB 0.960 64.585 63.200 0.708 0.000 0.940 271 S HN 0.995 nan 8.310 nan 0.000 0.525 272 R N 0.910 121.775 120.500 0.607 0.000 2.711 272 R HA 0.496 4.835 4.340 -0.001 0.000 0.284 272 R C -0.175 176.284 176.300 0.265 0.000 0.968 272 R CA -0.521 55.778 56.100 0.332 0.000 0.924 272 R CB 1.438 31.750 30.300 0.020 0.000 1.162 272 R HN 0.725 nan 8.270 nan 0.000 0.465 273 S N 3.772 119.510 115.700 0.064 0.000 2.632 273 S HA 0.305 4.775 4.470 -0.001 0.000 0.267 273 S C 0.276 174.806 174.600 -0.116 0.000 1.276 273 S CA -0.775 57.300 58.200 -0.208 0.000 0.998 273 S CB 0.728 63.666 63.200 -0.438 0.000 0.953 273 S HN 0.541 nan 8.310 nan 0.000 0.547 274 L N 2.208 123.354 121.223 -0.129 0.000 2.416 274 L HA 0.261 4.601 4.340 -0.001 0.000 0.272 274 L C 0.571 177.384 176.870 -0.096 0.000 1.161 274 L CA -0.590 54.196 54.840 -0.090 0.000 0.845 274 L CB 0.380 42.395 42.059 -0.073 0.000 1.119 274 L HN 0.691 nan 8.230 nan 0.000 0.464 275 L N 4.427 125.605 121.223 -0.075 0.000 2.822 275 L HA -0.165 4.174 4.340 -0.001 0.000 0.288 275 L C 0.160 177.008 176.870 -0.037 0.000 1.182 275 L CA 0.500 55.307 54.840 -0.055 0.000 0.936 275 L CB 0.064 42.091 42.059 -0.054 0.000 1.269 275 L HN 0.496 nan 8.230 nan 0.000 0.476 276 I N 4.688 125.253 120.570 -0.009 0.000 2.311 276 I HA -0.016 4.153 4.170 -0.001 0.000 0.297 276 I C 1.054 177.177 176.117 0.010 0.000 1.131 276 I CA 0.269 61.566 61.300 -0.006 0.000 1.289 276 I CB 0.751 38.757 38.000 0.011 0.000 1.446 276 I HN 0.620 nan 8.210 nan 0.000 0.524 277 T N 2.674 117.222 114.554 -0.010 0.000 2.754 277 T HA 0.065 4.414 4.350 -0.001 0.000 0.286 277 T C 1.453 176.139 174.700 -0.023 0.000 0.997 277 T CA 0.033 62.126 62.100 -0.012 0.000 0.982 277 T CB 1.105 69.963 68.868 -0.016 0.000 1.027 277 T HN 0.625 nan 8.240 nan 0.000 0.529 278 S N 0.184 115.868 115.700 -0.026 0.000 2.496 278 S HA 0.026 4.496 4.470 -0.001 0.000 0.224 278 S C 1.636 176.221 174.600 -0.024 0.000 0.996 278 S CA 0.610 58.790 58.200 -0.032 0.000 0.927 278 S CB -0.464 62.713 63.200 -0.038 0.000 0.774 278 S HN 0.768 nan 8.310 nan 0.000 0.524 279 E N 2.326 122.514 120.200 -0.021 0.000 2.187 279 E HA -0.025 4.324 4.350 -0.001 0.000 0.199 279 E C 0.419 177.007 176.600 -0.019 0.000 1.004 279 E CA 0.807 57.196 56.400 -0.018 0.000 0.813 279 E CB -0.494 29.196 29.700 -0.017 0.000 0.736 279 E HN 0.518 nan 8.360 nan 0.000 0.468 280 S N 1.446 117.132 115.700 -0.024 0.000 2.546 280 S HA -0.033 4.436 4.470 -0.001 0.000 0.290 280 S C 0.764 175.351 174.600 -0.022 0.000 1.262 280 S CA -0.124 58.059 58.200 -0.027 0.000 1.083 280 S CB 0.532 63.711 63.200 -0.035 0.000 0.859 280 S HN 0.170 nan 8.310 nan 0.000 0.495 281 Q N 1.508 121.297 119.800 -0.019 0.000 2.319 281 Q HA 0.117 4.457 4.340 -0.001 0.000 0.202 281 Q C 0.018 176.012 176.000 -0.011 0.000 0.896 281 Q CA 0.400 56.196 55.803 -0.012 0.000 0.942 281 Q CB 0.269 29.003 28.738 -0.008 0.000 1.083 281 Q HN 0.886 nan 8.270 nan 0.000 0.510 282 Q N -1.638 118.151 119.800 -0.018 0.000 2.574 282 Q HA 0.344 4.684 4.340 -0.001 0.000 0.265 282 Q C -1.042 174.930 176.000 -0.046 0.000 0.975 282 Q CA -0.559 55.234 55.803 -0.016 0.000 0.923 282 Q CB 0.884 29.621 28.738 -0.002 0.000 1.518 282 Q HN -0.178 nan 8.270 nan 0.000 0.401 283 V N 2.781 122.659 119.914 -0.060 0.000 2.508 283 V HA 0.309 4.428 4.120 -0.001 0.000 0.281 283 V C 0.118 176.077 176.094 -0.227 0.000 1.041 283 V CA 0.044 62.237 62.300 -0.178 0.000 1.016 283 V CB 0.114 31.809 31.823 -0.213 0.000 0.984 283 V HN 0.591 nan 8.190 nan 0.000 0.478 284 I N 5.497 125.905 120.570 -0.270 0.000 2.378 284 I HA 0.431 4.601 4.170 -0.001 0.000 0.291 284 I C -0.945 175.041 176.117 -0.219 0.000 0.992 284 I CA -0.608 60.607 61.300 -0.141 0.000 1.154 284 I CB 1.374 39.348 38.000 -0.042 0.000 1.315 284 I HN 0.494 nan 8.210 nan 0.000 0.448 285 Y N 3.523 123.867 120.300 0.073 0.000 2.341 285 Y HA 0.351 4.901 4.550 -0.001 0.000 0.337 285 Y C 0.125 176.157 175.900 0.219 0.000 1.014 285 Y CA -1.043 57.149 58.100 0.153 0.000 1.111 285 Y CB 0.818 39.388 38.460 0.184 0.000 1.194 285 Y HN 0.443 nan 8.280 nan 0.000 0.462 286 D N 1.234 121.879 120.400 0.409 0.000 2.210 286 D HA 0.291 4.930 4.640 -0.001 0.000 0.249 286 D C 0.042 176.736 176.300 0.657 0.000 1.062 286 D CA -0.161 54.110 54.000 0.451 0.000 0.891 286 D CB 1.854 42.880 40.800 0.377 0.000 1.186 286 D HN 0.574 nan 8.370 nan 0.000 0.432 287 S N 0.544 116.526 115.700 0.470 0.000 2.768 287 S HA 0.480 4.949 4.470 -0.001 0.000 0.300 287 S C -0.349 174.056 174.600 -0.324 0.000 1.122 287 S CA -0.734 57.576 58.200 0.184 0.000 0.995 287 S CB 1.030 64.228 63.200 -0.005 0.000 1.195 287 S HN 0.309 nan 8.310 nan 0.000 0.547 288 F N 2.622 121.986 119.950 -0.976 0.000 2.387 288 F HA 0.537 5.063 4.527 -0.001 0.000 0.332 288 F C 0.332 175.929 175.800 -0.338 0.000 1.174 288 F CA -1.451 55.756 58.000 -1.322 0.000 1.257 288 F CB -0.248 37.874 39.000 -1.462 0.000 1.569 288 F HN 0.641 nan 8.300 nan 0.000 0.554 289 S N 4.500 120.147 115.700 -0.090 0.000 2.580 289 S HA 0.351 4.821 4.470 -0.001 0.000 0.274 289 S C -1.483 173.057 174.600 -0.099 0.000 1.329 289 S CA -1.084 57.094 58.200 -0.037 0.000 1.036 289 S CB 0.933 64.223 63.200 0.151 0.000 0.919 289 S HN 0.427 nan 8.310 nan 0.000 0.515 290 P HA 0.156 nan 4.420 nan 0.000 0.249 290 P C 0.745 177.779 177.300 -0.442 0.000 1.229 290 P CA 0.279 63.087 63.100 -0.486 0.000 0.788 290 P CB -0.102 31.165 31.700 -0.721 0.000 1.072 291 F N 0.595 120.285 119.950 -0.434 0.000 2.126 291 F HA -0.058 4.468 4.527 -0.001 0.000 0.299 291 F C 1.588 177.223 175.800 -0.275 0.000 1.096 291 F CA 1.098 58.912 58.000 -0.309 0.000 1.255 291 F CB -0.423 38.261 39.000 -0.527 0.000 0.997 291 F HN -0.170 nan 8.300 nan 0.000 0.479 292 I N 0.382 120.917 120.570 -0.059 0.000 2.465 292 I HA 0.344 4.514 4.170 -0.001 0.000 0.291 292 I C -0.624 175.380 176.117 -0.187 0.000 1.014 292 I CA -0.522 60.724 61.300 -0.090 0.000 1.093 292 I CB 1.851 39.813 38.000 -0.063 0.000 1.267 292 I HN -0.098 nan 8.210 nan 0.000 0.431 293 T N 1.515 115.945 114.554 -0.206 0.000 2.916 293 T HA 0.625 4.974 4.350 -0.001 0.000 0.305 293 T C -1.169 173.431 174.700 -0.167 0.000 1.119 293 T CA -0.799 61.218 62.100 -0.138 0.000 1.008 293 T CB 1.783 70.651 68.868 -0.001 0.000 1.129 293 T HN 0.220 nan 8.240 nan 0.000 0.480 294 Y N 0.490 120.870 120.300 0.132 0.000 2.446 294 Y HA 0.731 5.280 4.550 -0.001 0.000 0.338 294 Y C -0.031 175.936 175.900 0.112 0.000 1.055 294 Y CA -0.946 57.233 58.100 0.130 0.000 1.101 294 Y CB 1.919 40.465 38.460 0.143 0.000 1.221 294 Y HN 0.775 nan 8.280 nan 0.000 0.460 295 D N 0.493 121.070 120.400 0.295 0.000 2.527 295 D HA 0.694 5.334 4.640 -0.001 0.000 0.233 295 D C -1.662 174.721 176.300 0.138 0.000 1.063 295 D CA -0.410 53.696 54.000 0.177 0.000 0.880 295 D CB 2.286 43.164 40.800 0.130 0.000 1.457 295 D HN 0.235 nan 8.370 nan 0.000 0.475 296 V N 2.368 122.330 119.914 0.080 0.000 2.524 296 V HA 0.520 4.640 4.120 -0.001 0.000 0.297 296 V C -0.492 175.614 176.094 0.021 0.000 1.035 296 V CA -0.702 61.624 62.300 0.043 0.000 0.867 296 V CB 1.735 33.577 31.823 0.032 0.000 1.004 296 V HN 0.417 nan 8.190 nan 0.000 0.426 297 V N 2.914 122.842 119.914 0.023 0.000 2.789 297 V HA 0.487 4.607 4.120 -0.001 0.000 0.311 297 V C -0.724 175.379 176.094 0.015 0.000 1.073 297 V CA -0.633 61.679 62.300 0.020 0.000 0.921 297 V CB 2.518 34.364 31.823 0.038 0.000 1.009 297 V HN 0.928 nan 8.190 nan 0.000 0.426 298 D N 1.880 122.286 120.400 0.010 0.000 2.345 298 D HA 0.151 4.791 4.640 -0.001 0.000 0.247 298 D C 1.266 177.575 176.300 0.015 0.000 1.108 298 D CA 0.439 54.444 54.000 0.009 0.000 0.894 298 D CB 1.844 42.647 40.800 0.004 0.000 1.203 298 D HN 0.564 nan 8.370 nan 0.000 0.430 299 S N 2.546 118.255 115.700 0.015 0.000 2.453 299 S HA -0.075 4.394 4.470 -0.001 0.000 0.231 299 S C 1.968 176.579 174.600 0.018 0.000 1.005 299 S CA 0.370 58.581 58.200 0.018 0.000 0.949 299 S CB -0.123 63.087 63.200 0.017 0.000 0.774 299 S HN 0.610 nan 8.310 nan 0.000 0.510 300 I N 1.915 122.493 120.570 0.014 0.000 2.731 300 I HA -0.020 4.149 4.170 -0.001 0.000 0.260 300 I C 2.449 178.575 176.117 0.014 0.000 1.138 300 I CA 1.404 62.712 61.300 0.014 0.000 1.461 300 I CB -0.097 37.909 38.000 0.011 0.000 1.128 300 I HN 0.469 nan 8.210 nan 0.000 0.438 301 T N -2.179 112.382 114.554 0.013 0.000 3.044 301 T HA 0.460 4.810 4.350 -0.001 0.000 0.260 301 T C 1.244 175.952 174.700 0.014 0.000 1.019 301 T CA 0.365 62.472 62.100 0.012 0.000 0.921 301 T CB 0.670 69.542 68.868 0.007 0.000 1.053 301 T HN 0.288 nan 8.240 nan 0.000 0.533 302 A N 0.542 123.373 122.820 0.019 0.000 2.910 302 A HA -0.250 4.070 4.320 -0.001 0.000 0.267 302 A C 0.432 178.026 177.584 0.018 0.000 1.310 302 A CA 1.404 53.455 52.037 0.024 0.000 0.934 302 A CB -2.472 16.547 19.000 0.031 0.000 1.057 302 A HN 0.806 nan 8.150 nan 0.000 0.742 303 Q N 0.358 120.163 119.800 0.009 0.000 2.288 303 Q HA 0.386 4.726 4.340 -0.001 0.000 0.254 303 Q C -0.023 175.973 176.000 -0.007 0.000 0.932 303 Q CA 0.113 55.916 55.803 0.000 0.000 0.902 303 Q CB 0.566 29.301 28.738 -0.005 0.000 1.203 303 Q HN 0.490 nan 8.270 nan 0.000 0.415 304 T N 3.708 118.254 114.554 -0.014 0.000 2.738 304 T HA 0.048 4.397 4.350 -0.001 0.000 0.277 304 T C 0.269 174.932 174.700 -0.061 0.000 0.981 304 T CA -0.077 62.004 62.100 -0.032 0.000 1.211 304 T CB -0.543 68.302 68.868 -0.039 0.000 0.932 304 T HN 0.507 nan 8.240 nan 0.000 0.522 305 V N 2.400 122.281 119.914 -0.054 0.000 3.209 305 V HA 0.156 4.276 4.120 -0.001 0.000 0.305 305 V C 0.668 176.685 176.094 -0.127 0.000 1.127 305 V CA -0.658 61.604 62.300 -0.063 0.000 1.235 305 V CB 0.504 32.307 31.823 -0.033 0.000 0.987 305 V HN 0.608 nan 8.190 nan 0.000 0.499 306 E N 1.413 121.556 120.200 -0.096 0.000 2.392 306 E HA 0.244 4.594 4.350 -0.001 0.000 0.259 306 E C -0.514 176.035 176.600 -0.085 0.000 1.108 306 E CA -0.188 56.141 56.400 -0.119 0.000 0.916 306 E CB 0.214 29.900 29.700 -0.022 0.000 0.989 306 E HN 0.759 nan 8.360 nan 0.000 0.432 307 Y N 0.171 120.489 120.300 0.030 0.000 2.702 307 Y HA 0.150 4.699 4.550 -0.001 0.000 0.336 307 Y C 1.841 177.756 175.900 0.026 0.000 1.235 307 Y CA 1.770 59.889 58.100 0.031 0.000 1.492 307 Y CB 0.206 38.687 38.460 0.034 0.000 1.308 307 Y HN 0.759 nan 8.280 nan 0.000 0.589 308 G N 1.625 110.557 108.800 0.220 0.000 2.267 308 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.257 308 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.257 308 G C 0.133 175.077 174.900 0.073 0.000 0.998 308 G CA 0.201 45.373 45.100 0.120 0.000 0.620 308 G HN 0.582 nan 8.290 nan 0.000 0.529 309 E N 0.391 120.626 120.200 0.058 0.000 2.349 309 E HA 0.491 4.841 4.350 -0.001 0.000 0.265 309 E C 0.566 177.183 176.600 0.028 0.000 1.064 309 E CA -0.657 55.761 56.400 0.031 0.000 0.886 309 E CB 0.867 30.576 29.700 0.015 0.000 1.036 309 E HN 0.467 nan 8.360 nan 0.000 0.413 310 R N 0.719 121.229 120.500 0.017 0.000 2.357 310 R HA 0.525 4.865 4.340 -0.001 0.000 0.296 310 R C -0.429 175.874 176.300 0.004 0.000 1.052 310 R CA -0.115 55.990 56.100 0.009 0.000 0.988 310 R CB 0.853 31.155 30.300 0.004 0.000 1.025 310 R HN 0.593 nan 8.270 nan 0.000 0.469 311 G N 1.913 110.712 108.800 -0.002 0.000 2.708 311 G HA2 0.210 4.169 3.960 -0.001 0.000 0.289 311 G HA3 0.210 4.169 3.960 -0.001 0.000 0.289 311 G C -1.479 173.419 174.900 -0.003 0.000 1.416 311 G CA -0.980 44.120 45.100 0.000 0.000 0.829 311 G HN 0.587 nan 8.290 nan 0.000 0.480 312 N N -0.358 118.346 118.700 0.008 0.000 2.513 312 N HA 0.345 5.084 4.740 -0.001 0.000 0.268 312 N C 0.065 175.590 175.510 0.025 0.000 1.180 312 N CA -0.169 52.891 53.050 0.016 0.000 0.948 312 N CB 1.741 40.245 38.487 0.029 0.000 1.083 312 N HN 0.221 nan 8.380 nan 0.000 0.455 313 V N 3.682 123.611 119.914 0.024 0.000 2.465 313 V HA 0.329 4.448 4.120 -0.001 0.000 0.279 313 V C 0.244 176.403 176.094 0.109 0.000 1.045 313 V CA -0.527 61.795 62.300 0.037 0.000 0.938 313 V CB 0.961 32.772 31.823 -0.020 0.000 0.986 313 V HN 0.422 nan 8.190 nan 0.000 0.467 314 I N 5.396 126.063 120.570 0.161 0.000 2.406 314 I HA 0.466 4.635 4.170 -0.001 0.000 0.290 314 I C -0.177 176.129 176.117 0.316 0.000 0.999 314 I CA -0.456 60.962 61.300 0.197 0.000 1.124 314 I CB 1.629 39.721 38.000 0.154 0.000 1.289 314 I HN 0.381 nan 8.210 nan 0.000 0.441 315 V N 6.535 126.628 119.914 0.299 0.000 2.628 315 V HA 0.690 4.809 4.120 -0.001 0.000 0.306 315 V C -0.352 175.839 176.094 0.161 0.000 1.045 315 V CA 0.031 62.506 62.300 0.291 0.000 0.905 315 V CB 2.290 34.326 31.823 0.355 0.000 0.997 315 V HN 0.890 nan 8.190 nan 0.000 0.436 316 T N 5.141 119.759 114.554 0.106 0.000 2.848 316 T HA 0.457 4.807 4.350 -0.001 0.000 0.285 316 T C -1.326 173.470 174.700 0.160 0.000 0.995 316 T CA -0.184 61.989 62.100 0.122 0.000 0.970 316 T CB 0.698 69.638 68.868 0.120 0.000 0.976 316 T HN 0.929 nan 8.240 nan 0.000 0.441 317 H N 3.084 122.209 119.070 0.092 0.000 2.505 317 H HA 0.749 5.305 4.556 -0.001 0.000 0.338 317 H C -1.346 174.056 175.328 0.123 0.000 1.057 317 H CA -0.992 55.124 56.048 0.112 0.000 1.202 317 H CB 0.800 30.641 29.762 0.132 0.000 1.466 317 H HN 0.360 nan 8.280 nan 0.000 0.499 318 L N 5.481 126.756 121.223 0.087 0.000 2.439 318 L HA 0.457 4.796 4.340 -0.001 0.000 0.270 318 L C -1.231 175.665 176.870 0.043 0.000 0.972 318 L CA -0.238 54.690 54.840 0.147 0.000 0.836 318 L CB 1.550 43.630 42.059 0.035 0.000 1.255 318 L HN 0.941 nan 8.230 nan 0.000 0.404 319 S N 3.163 118.978 115.700 0.192 0.000 2.636 319 S HA 0.565 5.035 4.470 -0.001 0.000 0.268 319 S C -2.722 171.949 174.600 0.118 0.000 1.159 319 S CA -0.892 57.495 58.200 0.311 0.000 0.815 319 S CB 1.865 65.413 63.200 0.582 0.000 1.130 319 S HN 0.327 nan 8.310 nan 0.000 0.471 320 P HA 0.075 nan 4.420 nan 0.000 0.226 320 P C 0.796 177.829 177.300 -0.445 0.000 1.153 320 P CA 0.803 63.432 63.100 -0.785 0.000 0.777 320 P CB -0.069 30.817 31.700 -1.357 0.000 0.794 321 W N -0.262 121.094 121.300 0.093 0.000 2.658 321 W HA 0.490 5.150 4.660 -0.001 0.000 0.263 321 W C 0.698 177.305 176.519 0.147 0.000 1.274 321 W CA 0.397 57.726 57.345 -0.027 0.000 1.343 321 W CB -0.098 29.332 29.460 -0.049 0.000 1.106 321 W HN -0.105 nan 8.180 nan 0.000 0.615 322 A N -0.495 122.576 122.820 0.418 0.000 2.566 322 A HA 0.552 4.871 4.320 -0.001 0.000 0.290 322 A C -2.237 175.340 177.584 -0.011 0.000 1.071 322 A CA -0.542 51.550 52.037 0.092 0.000 0.658 322 A CB 1.089 19.911 19.000 -0.298 0.000 1.285 322 A HN -0.012 nan 8.150 nan 0.000 0.427 323 F N 1.094 120.656 119.950 -0.647 0.000 3.051 323 F HA 0.667 5.194 4.527 -0.001 0.000 0.363 323 F C -2.300 173.195 175.800 -0.508 0.000 1.257 323 F CA -1.141 56.465 58.000 -0.657 0.000 1.126 323 F CB 0.911 39.081 39.000 -1.383 0.000 1.476 323 F HN 0.413 nan 8.300 nan 0.000 0.576 324 Y N 6.696 126.827 120.300 -0.282 0.000 2.575 324 Y HA 0.453 5.002 4.550 -0.001 0.000 0.326 324 Y C -2.467 173.184 175.900 -0.414 0.000 0.979 324 Y CA -2.997 54.919 58.100 -0.308 0.000 1.286 324 Y CB 0.710 39.102 38.460 -0.113 0.000 1.093 324 Y HN 0.331 nan 8.280 nan 0.000 0.501 325 P HA 0.124 nan 4.420 nan 0.000 0.280 325 P C -0.168 177.128 177.300 -0.008 0.000 1.244 325 P CA -0.203 62.700 63.100 -0.329 0.000 0.784 325 P CB 1.074 32.481 31.700 -0.488 0.000 0.913 326 R N -0.274 120.273 120.500 0.078 0.000 3.531 326 R HA -0.091 4.248 4.340 -0.001 0.000 0.280 326 R C -0.446 175.920 176.300 0.110 0.000 1.130 326 R CA 0.231 56.403 56.100 0.119 0.000 0.757 326 R CB -3.093 27.298 30.300 0.151 0.000 1.218 326 R HN 0.374 nan 8.270 nan 0.000 0.454 327 V N 0.970 120.942 119.914 0.096 0.000 2.434 327 V HA 0.168 4.287 4.120 -0.001 0.000 0.281 327 V C 1.628 177.775 176.094 0.089 0.000 1.005 327 V CA 0.271 62.612 62.300 0.069 0.000 1.089 327 V CB 0.845 32.691 31.823 0.038 0.000 0.978 327 V HN 0.427 nan 8.190 nan 0.000 0.474 328 A N 5.645 128.513 122.820 0.081 0.000 2.517 328 A HA 0.085 4.405 4.320 -0.001 0.000 0.284 328 A C 0.778 178.409 177.584 0.079 0.000 1.195 328 A CA 0.162 52.250 52.037 0.086 0.000 0.873 328 A CB -0.531 18.523 19.000 0.090 0.000 1.055 328 A HN 0.869 nan 8.150 nan 0.000 0.538 329 E N 1.314 121.572 120.200 0.098 0.000 2.385 329 E HA 0.230 4.579 4.350 -0.001 0.000 0.254 329 E C 0.185 176.838 176.600 0.088 0.000 1.228 329 E CA -0.611 55.845 56.400 0.095 0.000 0.956 329 E CB 0.860 30.645 29.700 0.141 0.000 1.116 329 E HN 0.599 nan 8.360 nan 0.000 0.507 330 R N 1.284 121.835 120.500 0.087 0.000 3.135 330 R HA 0.149 4.489 4.340 -0.001 0.000 0.343 330 R C -1.158 175.183 176.300 0.068 0.000 1.227 330 R CA 0.022 56.164 56.100 0.071 0.000 1.227 330 R CB -0.033 30.305 30.300 0.064 0.000 1.436 330 R HN 0.413 nan 8.270 nan 0.000 0.595 331 D N 0.083 120.521 120.400 0.064 0.000 2.661 331 D HA 0.115 4.754 4.640 -0.001 0.000 0.228 331 D C -0.383 175.911 176.300 -0.011 0.000 1.210 331 D CA -0.335 53.683 54.000 0.030 0.000 0.826 331 D CB 2.276 43.102 40.800 0.042 0.000 1.542 331 D HN 0.122 nan 8.370 nan 0.000 0.447 332 T N -1.746 112.786 114.554 -0.036 0.000 2.928 332 T HA 0.853 5.203 4.350 -0.001 0.000 0.284 332 T C -0.190 174.453 174.700 -0.094 0.000 1.008 332 T CA -0.632 61.441 62.100 -0.046 0.000 1.057 332 T CB 1.915 70.769 68.868 -0.024 0.000 1.018 332 T HN 0.498 nan 8.240 nan 0.000 0.493 333 A N 1.890 124.656 122.820 -0.090 0.000 2.594 333 A HA 0.719 5.039 4.320 -0.001 0.000 0.291 333 A C -0.534 177.030 177.584 -0.033 0.000 1.105 333 A CA -1.156 50.827 52.037 -0.091 0.000 0.694 333 A CB 1.043 19.942 19.000 -0.168 0.000 1.291 333 A HN 0.929 nan 8.150 nan 0.000 0.410 334 I N 1.455 122.022 120.570 -0.006 0.000 2.556 334 I HA 0.174 4.344 4.170 -0.001 0.000 0.284 334 I C 1.030 177.178 176.117 0.052 0.000 1.114 334 I CA 0.108 61.425 61.300 0.028 0.000 1.418 334 I CB 0.673 38.696 38.000 0.039 0.000 1.394 334 I HN 0.719 nan 8.210 nan 0.000 0.552 335 R N 7.382 127.931 120.500 0.082 0.000 2.390 335 R HA 0.606 4.945 4.340 -0.001 0.000 0.291 335 R C -1.421 175.037 176.300 0.263 0.000 1.070 335 R CA -0.303 55.882 56.100 0.142 0.000 1.014 335 R CB 0.673 31.035 30.300 0.104 0.000 1.007 335 R HN 0.601 nan 8.270 nan 0.000 0.466 336 L N 4.723 126.108 121.223 0.269 0.000 2.301 336 L HA 0.591 4.930 4.340 -0.001 0.000 0.264 336 L C -2.230 174.700 176.870 0.099 0.000 1.016 336 L CA -3.036 51.920 54.840 0.195 0.000 0.821 336 L CB 2.347 44.450 42.059 0.072 0.000 1.346 336 L HN 0.595 nan 8.230 nan 0.000 0.429 337 P HA 0.107 nan 4.420 nan 0.000 0.271 337 P C -0.237 177.055 177.300 -0.014 0.000 1.216 337 P CA -0.085 62.823 63.100 -0.320 0.000 0.771 337 P CB 0.649 32.034 31.700 -0.526 0.000 0.864 338 G N 1.898 110.761 108.800 0.106 0.000 2.562 338 G HA2 0.350 4.309 3.960 -0.001 0.000 0.275 338 G HA3 0.350 4.309 3.960 -0.001 0.000 0.275 338 G C -0.492 174.466 174.900 0.097 0.000 1.196 338 G CA -0.654 44.517 45.100 0.119 0.000 0.908 338 G HN 0.341 nan 8.290 nan 0.000 0.524 339 V N 1.523 121.469 119.914 0.053 0.000 2.420 339 V HA 0.126 4.246 4.120 -0.001 0.000 0.274 339 V C 1.320 177.561 176.094 0.244 0.000 1.003 339 V CA -0.023 62.319 62.300 0.069 0.000 1.092 339 V CB -0.417 31.365 31.823 -0.068 0.000 1.002 339 V HN 0.908 nan 8.190 nan 0.000 0.473 340 S N 4.466 120.273 115.700 0.178 0.000 2.559 340 S HA 0.399 4.869 4.470 -0.001 0.000 0.282 340 S C 1.409 176.150 174.600 0.235 0.000 1.336 340 S CA 0.523 58.831 58.200 0.180 0.000 1.037 340 S CB 0.868 64.129 63.200 0.102 0.000 0.853 340 S HN 2.198 nan 8.310 nan 0.000 0.523 341 G N 1.629 110.517 108.800 0.146 0.000 2.317 341 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.227 341 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.227 341 G C -0.046 174.809 174.900 -0.074 0.000 1.042 341 G CA 0.096 45.209 45.100 0.022 0.000 0.623 341 G HN 0.734 nan 8.290 nan 0.000 0.509 342 F N 2.367 122.335 119.950 0.031 0.000 2.404 342 F HA 0.743 5.269 4.527 -0.001 0.000 0.339 342 F C 0.906 176.719 175.800 0.022 0.000 1.105 342 F CA -0.233 57.779 58.000 0.020 0.000 1.087 342 F CB 1.696 40.731 39.000 0.058 0.000 1.143 342 F HN 0.377 nan 8.300 nan 0.000 0.491 343 A N 2.492 125.393 122.820 0.135 0.000 2.425 343 A HA 0.623 4.943 4.320 -0.001 0.000 0.249 343 A C 0.464 178.132 177.584 0.140 0.000 1.084 343 A CA 0.450 52.548 52.037 0.102 0.000 0.781 343 A CB -0.397 18.628 19.000 0.041 0.000 1.019 343 A HN 1.463 nan 8.150 nan 0.000 0.490 344 G N 2.055 110.945 108.800 0.150 0.000 2.640 344 G HA2 0.181 4.140 3.960 -0.001 0.000 0.686 344 G HA3 0.181 4.140 3.960 -0.001 0.000 0.686 344 G C -1.133 173.900 174.900 0.221 0.000 1.229 344 G CA -0.528 44.672 45.100 0.168 0.000 0.796 344 G HN 0.849 nan 8.290 nan 0.000 0.654 345 D N 0.690 121.247 120.400 0.262 0.000 2.341 345 D HA 0.433 5.072 4.640 -0.001 0.000 0.245 345 D C 1.126 177.616 176.300 0.316 0.000 1.106 345 D CA -0.070 54.105 54.000 0.292 0.000 0.905 345 D CB 1.067 42.035 40.800 0.280 0.000 1.202 345 D HN 0.574 nan 8.370 nan 0.000 0.426 346 R N 0.638 121.293 120.500 0.258 0.000 2.641 346 R HA 0.434 4.773 4.340 -0.001 0.000 0.269 346 R C -0.385 176.038 176.300 0.205 0.000 1.074 346 R CA -0.172 56.069 56.100 0.235 0.000 1.133 346 R CB 0.449 30.843 30.300 0.156 0.000 1.029 346 R HN 0.351 nan 8.270 nan 0.000 0.488 347 L N 1.495 122.833 121.223 0.192 0.000 2.333 347 L HA 0.810 5.149 4.340 -0.001 0.000 0.263 347 L C -0.750 176.225 176.870 0.174 0.000 1.014 347 L CA -1.140 53.760 54.840 0.101 0.000 0.820 347 L CB 2.211 44.221 42.059 -0.082 0.000 1.352 347 L HN 0.703 nan 8.230 nan 0.000 0.421 348 A N 0.042 122.930 122.820 0.112 0.000 2.515 348 A HA 0.617 4.937 4.320 -0.001 0.000 0.298 348 A C -1.216 176.419 177.584 0.084 0.000 1.059 348 A CA -0.463 51.649 52.037 0.125 0.000 0.698 348 A CB 1.257 20.298 19.000 0.068 0.000 1.289 348 A HN 0.801 nan 8.150 nan 0.000 0.404 349 D N 0.606 121.074 120.400 0.115 0.000 2.803 349 D HA -0.150 4.489 4.640 -0.001 0.000 0.233 349 D C -0.096 176.206 176.300 0.003 0.000 1.182 349 D CA 1.197 55.235 54.000 0.063 0.000 0.726 349 D CB -1.177 39.643 40.800 0.033 0.000 0.987 349 D HN 0.570 nan 8.370 nan 0.000 0.412 350 I N 0.784 121.326 120.570 -0.047 0.000 2.752 350 I HA -0.022 4.148 4.170 -0.001 0.000 0.287 350 I C 1.251 177.313 176.117 -0.093 0.000 1.188 350 I CA 0.815 62.004 61.300 -0.184 0.000 1.427 350 I CB 0.473 38.193 38.000 -0.467 0.000 1.365 350 I HN 0.088 nan 8.210 nan 0.000 0.585 351 E N 6.287 126.443 120.200 -0.074 0.000 2.459 351 E HA 0.553 4.903 4.350 -0.001 0.000 0.275 351 E C -2.634 173.957 176.600 -0.016 0.000 0.987 351 E CA -1.672 54.712 56.400 -0.027 0.000 0.828 351 E CB 1.054 30.748 29.700 -0.009 0.000 1.428 351 E HN 0.226 nan 8.360 nan 0.000 0.457 352 P HA 0.236 nan 4.420 nan 0.000 0.328 352 P C -0.212 177.097 177.300 0.014 0.000 1.305 352 P CA -0.527 62.584 63.100 0.019 0.000 0.745 352 P CB 0.763 32.480 31.700 0.028 0.000 1.462 353 L N -0.978 120.256 121.223 0.019 0.000 2.292 353 L HA 0.271 4.610 4.340 -0.001 0.000 0.196 353 L C 0.495 177.373 176.870 0.013 0.000 1.246 353 L CA 1.192 56.042 54.840 0.017 0.000 0.864 353 L CB -0.964 41.109 42.059 0.024 0.000 1.044 353 L HN 0.395 nan 8.230 nan 0.000 0.504 354 K N 0.000 120.408 120.400 0.013 0.000 2.780 354 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 354 K CA 0.000 56.292 56.287 0.009 0.000 0.838 354 K CB 0.000 32.504 32.500 0.007 0.000 1.064 354 K HN 0.000 nan 8.250 nan 0.000 0.543