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 2vdk_1_B DATA FIRST_RESID 1 DATA SEQUENCE GPNIcTTRGV SScQQcLAVS PMcAWcSDEA LPLGSPRcDL KENLLKDNcA DATA SEQUENCE PESIEFPVSE ARVLEDRPLS DKXXXXXXQV TQVSPQRIAL RLRPDDSKNF DATA SEQUENCE SIQVRQVEDY PVDIYYLMDL SYSMKDDLWS IQNLGTKLAT QMRKLTSNLR DATA SEQUENCE IGFGAFVDKP VSPYMYISPP EALENPcYDM KTTcLPMFGY KHVLTLTDQV DATA SEQUENCE TRFNEEVKKQ SVSRNRDAPE GGFDAIMQAT VcDEKIGWRN DASHLLVFTT DATA SEQUENCE DAKTHIALDG RLAGIVQPND GQcHVGSDNH YSASTTMDYP SLGLMTEKLS DATA SEQUENCE QKNINLIFAV TENVVNLYQN YSELIPGTTV GVLSMDSSNV LQLIVDAYGK DATA SEQUENCE IRSKVELEVR DLPEELSLSF NATcLNNEVI PGLKScMGLK IGDTVSFSIE DATA SEQUENCE AKVRGcPQEK EKSFTIKPVG FKDSLIVQVT FDcDcAcQAQ AEPNSHRcNN DATA SEQUENCE GNGTFEcGVc R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1 G C 0.000 174.899 174.900 -0.002 0.000 0.946 1 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 2 P HA 0.547 nan 4.420 nan 0.000 0.279 2 P C -1.067 176.236 177.300 0.004 0.000 1.252 2 P CA -0.337 62.763 63.100 0.000 0.000 0.811 2 P CB 1.539 33.240 31.700 0.002 0.000 1.035 3 N N -0.211 118.493 118.700 0.006 0.000 2.502 3 N HA 0.175 4.915 4.740 0.000 0.000 0.280 3 N C 0.807 176.328 175.510 0.018 0.000 1.223 3 N CA -0.878 52.179 53.050 0.012 0.000 0.966 3 N CB 0.676 39.170 38.487 0.011 0.000 1.203 3 N HN 0.399 nan 8.380 nan 0.000 0.565 4 I N -0.382 120.202 120.570 0.024 0.000 2.493 4 I HA -0.224 3.946 4.170 0.000 0.000 0.254 4 I C 1.011 177.151 176.117 0.039 0.000 1.160 4 I CA 0.907 62.224 61.300 0.029 0.000 1.445 4 I CB -0.085 37.933 38.000 0.030 0.000 1.086 4 I HN 0.669 nan 8.210 nan 0.000 0.433 5 c N 0.409 119.036 118.600 0.046 0.000 2.436 5 c HA -0.165 4.405 4.570 0.000 0.000 0.277 5 c C 2.984 177.109 174.090 0.059 0.000 1.241 5 c CA 1.578 57.945 56.329 0.064 0.000 1.721 5 c CB -1.611 40.941 42.510 0.071 0.000 2.043 5 c HN 0.646 nan 8.230 nan 0.000 0.472 6 T N -0.296 114.279 114.554 0.035 0.000 2.777 6 T HA -0.136 4.214 4.350 0.000 0.000 0.266 6 T C 1.199 175.916 174.700 0.028 0.000 1.040 6 T CA 1.980 64.094 62.100 0.024 0.000 1.141 6 T CB -0.963 67.906 68.868 0.003 0.000 0.868 6 T HN 0.612 nan 8.240 nan 0.000 0.444 7 T N 0.123 114.692 114.554 0.025 0.000 3.285 7 T HA 0.460 4.810 4.350 0.000 0.000 0.232 7 T C 0.238 174.954 174.700 0.027 0.000 0.973 7 T CA -0.827 61.286 62.100 0.022 0.000 1.023 7 T CB -0.503 68.375 68.868 0.016 0.000 1.158 7 T HN 0.348 nan 8.240 nan 0.000 0.590 8 R N 0.339 120.861 120.500 0.036 0.000 2.734 8 R HA 0.366 4.706 4.340 0.000 0.000 0.242 8 R C 1.283 177.609 176.300 0.044 0.000 1.617 8 R CA -0.010 56.111 56.100 0.036 0.000 1.572 8 R CB 0.436 30.757 30.300 0.036 0.000 1.477 8 R HN 0.553 nan 8.270 nan 0.000 0.707 9 G N 1.328 110.153 108.800 0.041 0.000 5.218 9 G HA2 -0.483 3.477 3.960 0.000 0.000 0.342 9 G HA3 -0.483 3.477 3.960 0.000 0.000 0.342 9 G C 0.414 175.358 174.900 0.072 0.000 1.391 9 G CA 1.202 46.330 45.100 0.046 0.000 1.096 9 G HN 1.215 nan 8.290 nan 0.000 0.831 10 V N -2.585 117.379 119.914 0.084 0.000 5.919 10 V HA -0.154 3.966 4.120 0.000 0.000 0.195 10 V C 1.167 177.374 176.094 0.189 0.000 0.690 10 V CA 1.927 64.312 62.300 0.142 0.000 0.572 10 V CB -2.370 29.574 31.823 0.201 0.000 0.449 10 V HN 1.589 nan 8.190 nan 0.000 0.430 11 S N 1.203 116.970 115.700 0.112 0.000 2.388 11 S HA 0.137 4.607 4.470 0.000 0.000 0.223 11 S C 0.981 175.640 174.600 0.097 0.000 1.034 11 S CA 0.922 59.190 58.200 0.114 0.000 0.963 11 S CB 0.102 63.331 63.200 0.048 0.000 0.827 11 S HN 1.798 nan 8.310 nan 0.000 0.481 12 S N -0.626 115.013 115.700 -0.102 0.000 2.600 12 S HA 0.367 4.837 4.470 0.000 0.000 0.300 12 S C 0.802 174.865 174.600 -0.896 0.000 1.087 12 S CA -0.699 57.248 58.200 -0.421 0.000 0.965 12 S CB 1.093 64.128 63.200 -0.274 0.000 1.089 12 S HN 0.267 nan 8.310 nan 0.000 0.496 13 c N 1.020 118.727 118.600 -1.488 0.000 2.403 13 c HA -0.122 4.448 4.570 0.000 0.000 0.277 13 c C 2.668 176.413 174.090 -0.575 0.000 1.248 13 c CA 1.838 57.287 56.329 -1.466 0.000 1.762 13 c CB -1.605 40.123 42.510 -1.304 0.000 2.014 13 c HN 1.066 nan 8.230 nan 0.000 0.486 14 Q N -0.424 119.131 119.800 -0.408 0.000 2.079 14 Q HA -0.221 4.119 4.340 0.000 0.000 0.200 14 Q C 2.307 178.218 176.000 -0.148 0.000 0.974 14 Q CA 1.767 57.440 55.803 -0.217 0.000 0.840 14 Q CB -0.128 28.508 28.738 -0.170 0.000 0.898 14 Q HN 0.753 nan 8.270 nan 0.000 0.430 15 Q N -0.729 118.981 119.800 -0.150 0.000 2.167 15 Q HA -0.161 4.179 4.340 0.000 0.000 0.202 15 Q C 2.357 178.344 176.000 -0.022 0.000 0.970 15 Q CA 1.217 56.978 55.803 -0.069 0.000 0.855 15 Q CB -0.236 28.474 28.738 -0.047 0.000 0.911 15 Q HN 0.462 nan 8.270 nan 0.000 0.438 16 c N 0.588 119.174 118.600 -0.023 0.000 2.413 16 c HA -0.122 4.448 4.570 0.000 0.000 0.276 16 c C 2.375 176.512 174.090 0.078 0.000 1.236 16 c CA 0.754 57.144 56.329 0.101 0.000 1.735 16 c CB -0.928 41.737 42.510 0.257 0.000 2.031 16 c HN 0.498 nan 8.230 nan 0.000 0.474 17 L N 0.966 122.203 121.223 0.023 0.000 2.141 17 L HA -0.037 4.303 4.340 0.000 0.000 0.209 17 L C 2.899 179.776 176.870 0.011 0.000 1.094 17 L CA 1.422 56.275 54.840 0.022 0.000 0.763 17 L CB -0.823 41.227 42.059 -0.015 0.000 0.908 17 L HN 0.422 nan 8.230 nan 0.000 0.437 18 A N -0.282 122.536 122.820 -0.004 0.000 2.066 18 A HA -0.060 4.260 4.320 0.000 0.000 0.218 18 A C 2.323 179.911 177.584 0.007 0.000 1.157 18 A CA 1.005 53.037 52.037 -0.008 0.000 0.670 18 A CB -0.467 18.520 19.000 -0.022 0.000 0.804 18 A HN 0.190 nan 8.150 nan 0.000 0.453 19 V N -0.920 119.009 119.914 0.025 0.000 2.307 19 V HA -0.008 4.112 4.120 0.000 0.000 0.245 19 V C 1.238 177.352 176.094 0.034 0.000 1.045 19 V CA 1.831 64.150 62.300 0.033 0.000 1.024 19 V CB -0.321 31.533 31.823 0.051 0.000 0.651 19 V HN 0.618 nan 8.190 nan 0.000 0.449 20 S N -2.680 113.048 115.700 0.046 0.000 2.565 20 S HA 0.364 4.834 4.470 0.000 0.000 0.274 20 S C -2.608 172.028 174.600 0.059 0.000 1.144 20 S CA -0.613 57.616 58.200 0.048 0.000 0.849 20 S CB 1.715 64.948 63.200 0.055 0.000 1.103 20 S HN 0.004 nan 8.310 nan 0.000 0.455 21 P HA -0.062 nan 4.420 nan 0.000 0.219 21 P C 1.488 178.854 177.300 0.111 0.000 1.146 21 P CA 1.292 64.412 63.100 0.033 0.000 0.808 21 P CB -0.179 31.531 31.700 0.016 0.000 0.779 22 M N -3.299 116.399 119.600 0.163 0.000 2.619 22 M HA 0.093 4.573 4.480 0.000 0.000 0.251 22 M C 0.041 176.536 176.300 0.325 0.000 1.106 22 M CA 0.724 56.183 55.300 0.266 0.000 1.086 22 M CB -0.910 31.780 32.600 0.150 0.000 1.465 22 M HN -0.252 nan 8.290 nan 0.000 0.506 23 c N 2.893 121.653 118.600 0.266 0.000 2.601 23 c HA 0.782 5.352 4.570 0.000 0.000 0.409 23 c C 0.952 175.269 174.090 0.379 0.000 1.293 23 c CA -0.644 55.829 56.329 0.239 0.000 2.101 23 c CB 0.241 42.856 42.510 0.175 0.000 2.639 23 c HN 0.619 nan 8.230 nan 0.000 0.592 24 A N 3.168 126.155 122.820 0.279 0.000 2.430 24 A HA 0.886 5.206 4.320 0.000 0.000 0.300 24 A C -1.343 176.411 177.584 0.283 0.000 1.124 24 A CA -0.441 51.792 52.037 0.327 0.000 0.766 24 A CB 1.298 20.364 19.000 0.110 0.000 1.328 24 A HN 0.967 nan 8.150 nan 0.000 0.424 25 W N 1.057 122.404 121.300 0.079 0.000 2.739 25 W HA 0.504 5.164 4.660 0.000 0.000 0.331 25 W C -1.424 175.108 176.519 0.020 0.000 1.049 25 W CA -0.834 56.532 57.345 0.036 0.000 1.234 25 W CB 1.687 31.165 29.460 0.029 0.000 1.404 25 W HN 0.826 nan 8.180 nan 0.000 0.477 26 c N 4.688 122.987 118.600 -0.501 0.000 2.265 26 c HA 0.402 4.972 4.570 0.000 0.000 0.332 26 c C 1.161 175.034 174.090 -0.361 0.000 1.248 26 c CA 0.047 56.176 56.329 -0.333 0.000 1.727 26 c CB 0.205 42.523 42.510 -0.320 0.000 2.348 26 c HN 0.661 nan 8.230 nan 0.000 0.519 27 S N 2.418 118.118 115.700 0.001 0.000 2.524 27 S HA 0.013 4.483 4.470 0.000 0.000 0.216 27 S C 0.275 174.901 174.600 0.043 0.000 0.987 27 S CA 0.016 58.287 58.200 0.118 0.000 0.909 27 S CB -0.292 63.020 63.200 0.188 0.000 0.781 27 S HN 0.947 nan 8.310 nan 0.000 0.521 28 D N 2.533 122.932 120.400 -0.001 0.000 2.472 28 D HA -0.003 4.637 4.640 0.000 0.000 0.248 28 D C 0.812 177.122 176.300 0.016 0.000 1.174 28 D CA 0.399 54.405 54.000 0.009 0.000 0.883 28 D CB 0.543 41.336 40.800 -0.012 0.000 1.149 28 D HN 0.254 nan 8.370 nan 0.000 0.488 29 E N 2.530 122.765 120.200 0.057 0.000 2.358 29 E HA -0.076 4.274 4.350 0.000 0.000 0.195 29 E C 1.565 178.194 176.600 0.050 0.000 1.010 29 E CA 0.588 57.038 56.400 0.085 0.000 0.856 29 E CB 0.106 29.886 29.700 0.134 0.000 0.795 29 E HN 0.576 nan 8.360 nan 0.000 0.504 30 A N 1.030 123.867 122.820 0.028 0.000 2.168 30 A HA -0.019 4.301 4.320 0.000 0.000 0.215 30 A C 1.062 178.645 177.584 -0.001 0.000 1.152 30 A CA 0.028 52.073 52.037 0.014 0.000 0.716 30 A CB -0.212 18.793 19.000 0.010 0.000 0.794 30 A HN 0.162 nan 8.150 nan 0.000 0.465 31 L N 1.807 123.022 121.223 -0.014 0.000 2.490 31 L HA 0.254 4.594 4.340 0.000 0.000 0.274 31 L C -1.806 175.049 176.870 -0.026 0.000 1.201 31 L CA -1.377 53.442 54.840 -0.035 0.000 0.869 31 L CB 0.176 42.193 42.059 -0.071 0.000 1.123 31 L HN 0.131 nan 8.230 nan 0.000 0.484 32 P HA 0.090 nan 4.420 nan 0.000 0.274 32 P C 0.726 178.010 177.300 -0.028 0.000 1.246 32 P CA -0.333 62.754 63.100 -0.021 0.000 0.795 32 P CB 0.789 32.477 31.700 -0.020 0.000 1.006 33 L N 0.513 121.726 121.223 -0.016 0.000 2.201 33 L HA -0.053 4.287 4.340 0.000 0.000 0.212 33 L C 2.671 179.527 176.870 -0.024 0.000 1.105 33 L CA 1.653 56.484 54.840 -0.016 0.000 0.775 33 L CB -1.149 40.909 42.059 -0.001 0.000 0.913 33 L HN 0.561 nan 8.230 nan 0.000 0.440 34 G N -0.661 108.125 108.800 -0.023 0.000 2.442 34 G HA2 -0.177 3.783 3.960 0.000 0.000 0.219 34 G HA3 -0.177 3.783 3.960 0.000 0.000 0.219 34 G C 0.840 175.718 174.900 -0.036 0.000 1.141 34 G CA 0.199 45.284 45.100 -0.025 0.000 0.763 34 G HN 0.309 nan 8.290 nan 0.000 0.554 35 S N 1.951 117.622 115.700 -0.049 0.000 2.548 35 S HA 0.398 4.868 4.470 0.000 0.000 0.277 35 S C -2.105 172.439 174.600 -0.093 0.000 1.315 35 S CA -0.837 57.322 58.200 -0.068 0.000 1.050 35 S CB 1.610 64.764 63.200 -0.076 0.000 0.918 35 S HN 0.192 nan 8.310 nan 0.000 0.497 36 P HA 0.325 nan 4.420 nan 0.000 0.279 36 P C 0.047 177.213 177.300 -0.222 0.000 1.239 36 P CA -0.504 62.521 63.100 -0.126 0.000 0.789 36 P CB 0.954 32.606 31.700 -0.080 0.000 0.933 37 R N 0.942 121.222 120.500 -0.367 0.000 2.119 37 R HA 0.054 4.394 4.340 0.000 0.000 0.222 37 R C 0.652 176.557 176.300 -0.658 0.000 1.088 37 R CA 0.716 56.383 56.100 -0.722 0.000 0.984 37 R CB -0.231 29.290 30.300 -1.300 0.000 0.884 37 R HN 0.471 nan 8.270 nan 0.000 0.447 38 c N 1.961 120.376 118.600 -0.308 0.000 2.225 38 c HA 0.361 4.931 4.570 0.000 0.000 0.328 38 c C -0.669 173.434 174.090 0.021 0.000 1.187 38 c CA -0.491 55.866 56.329 0.046 0.000 1.665 38 c CB -0.634 42.056 42.510 0.299 0.000 2.253 38 c HN 0.337 nan 8.230 nan 0.000 0.497 39 D N 2.575 122.987 120.400 0.020 0.000 2.768 39 D HA 0.381 5.021 4.640 0.000 0.000 0.327 39 D C -0.946 175.356 176.300 0.003 0.000 1.302 39 D CA -0.383 53.615 54.000 -0.003 0.000 0.897 39 D CB 1.222 41.991 40.800 -0.051 0.000 1.420 39 D HN 0.472 nan 8.370 nan 0.000 0.494 40 L N 1.614 122.822 121.223 -0.025 0.000 2.452 40 L HA 0.242 4.582 4.340 0.000 0.000 0.267 40 L C 1.960 178.748 176.870 -0.137 0.000 1.188 40 L CA -0.065 54.736 54.840 -0.064 0.000 0.821 40 L CB 0.557 42.583 42.059 -0.055 0.000 1.102 40 L HN 0.462 nan 8.230 nan 0.000 0.470 41 K N 1.024 121.260 120.400 -0.275 0.000 2.211 41 K HA -0.160 4.160 4.320 0.000 0.000 0.203 41 K C 1.473 177.953 176.600 -0.201 0.000 1.050 41 K CA 1.460 57.549 56.287 -0.330 0.000 0.945 41 K CB 0.270 32.378 32.500 -0.654 0.000 0.732 41 K HN 0.620 nan 8.250 nan 0.000 0.451 42 E N 0.205 120.309 120.200 -0.160 0.000 2.107 42 E HA -0.101 4.249 4.350 0.000 0.000 0.191 42 E C 1.678 178.229 176.600 -0.081 0.000 0.982 42 E CA 0.984 57.322 56.400 -0.104 0.000 0.809 42 E CB -0.054 29.598 29.700 -0.080 0.000 0.756 42 E HN 0.252 nan 8.360 nan 0.000 0.459 43 N N 0.544 119.197 118.700 -0.078 0.000 2.142 43 N HA -0.090 4.650 4.740 0.000 0.000 0.186 43 N C 1.768 177.236 175.510 -0.071 0.000 1.023 43 N CA 0.863 53.875 53.050 -0.064 0.000 0.852 43 N CB -0.177 38.276 38.487 -0.056 0.000 0.998 43 N HN 0.156 nan 8.380 nan 0.000 0.424 44 L N 0.455 121.626 121.223 -0.086 0.000 2.027 44 L HA -0.083 4.257 4.340 0.000 0.000 0.206 44 L C 2.191 179.016 176.870 -0.075 0.000 1.074 44 L CA 0.819 55.605 54.840 -0.090 0.000 0.745 44 L CB -0.476 41.522 42.059 -0.102 0.000 0.898 44 L HN 0.113 nan 8.230 nan 0.000 0.433 45 L N -0.193 120.985 121.223 -0.074 0.000 2.131 45 L HA -0.225 4.115 4.340 0.000 0.000 0.210 45 L C 2.626 179.467 176.870 -0.048 0.000 1.092 45 L CA 1.238 56.043 54.840 -0.058 0.000 0.759 45 L CB -0.403 41.620 42.059 -0.060 0.000 0.903 45 L HN 0.252 nan 8.230 nan 0.000 0.435 46 K N -0.098 120.272 120.400 -0.050 0.000 2.288 46 K HA -0.131 4.189 4.320 0.000 0.000 0.201 46 K C 0.278 176.855 176.600 -0.039 0.000 1.048 46 K CA 1.025 57.287 56.287 -0.040 0.000 0.956 46 K CB 0.187 32.663 32.500 -0.040 0.000 0.746 46 K HN 0.218 nan 8.250 nan 0.000 0.461 47 D N 1.012 121.384 120.400 -0.046 0.000 2.561 47 D HA 0.060 4.700 4.640 0.000 0.000 0.232 47 D C -0.637 175.637 176.300 -0.044 0.000 1.198 47 D CA 0.021 53.993 54.000 -0.046 0.000 0.826 47 D CB 0.099 40.865 40.800 -0.056 0.000 0.992 47 D HN 0.111 nan 8.370 nan 0.000 0.490 48 N N -0.049 118.628 118.700 -0.038 0.000 2.725 48 N HA -0.210 4.530 4.740 0.000 0.000 0.249 48 N C -0.241 175.247 175.510 -0.035 0.000 1.103 48 N CA 0.357 53.388 53.050 -0.032 0.000 0.707 48 N CB -2.019 36.452 38.487 -0.025 0.000 1.043 48 N HN 0.367 nan 8.380 nan 0.000 0.553 49 c N 0.852 119.425 118.600 -0.046 0.000 2.593 49 c HA 0.600 5.170 4.570 0.000 0.000 0.409 49 c C 1.366 175.437 174.090 -0.031 0.000 1.304 49 c CA -0.336 55.964 56.329 -0.049 0.000 2.007 49 c CB -0.561 41.906 42.510 -0.072 0.000 2.614 49 c HN 0.530 nan 8.230 nan 0.000 0.585 50 A N 8.067 130.876 122.820 -0.020 0.000 2.522 50 A HA 0.314 4.634 4.320 0.000 0.000 0.256 50 A C -1.173 176.410 177.584 -0.002 0.000 1.086 50 A CA -0.574 51.459 52.037 -0.006 0.000 0.763 50 A CB -0.175 18.828 19.000 0.005 0.000 1.024 50 A HN 0.830 nan 8.150 nan 0.000 0.502 51 P HA -0.194 nan 4.420 nan 0.000 0.216 51 P C 0.961 178.273 177.300 0.019 0.000 1.150 51 P CA 1.636 64.737 63.100 0.003 0.000 0.843 51 P CB 0.198 31.900 31.700 0.002 0.000 0.787 52 E N -1.090 119.124 120.200 0.023 0.000 2.274 52 E HA -0.028 4.322 4.350 0.000 0.000 0.194 52 E C 1.530 178.157 176.600 0.044 0.000 0.996 52 E CA 0.729 57.148 56.400 0.033 0.000 0.840 52 E CB -0.254 29.462 29.700 0.028 0.000 0.772 52 E HN 0.228 nan 8.360 nan 0.000 0.491 53 S N 0.496 116.220 115.700 0.040 0.000 2.593 53 S HA 0.113 4.583 4.470 0.000 0.000 0.217 53 S C 0.764 175.408 174.600 0.074 0.000 0.966 53 S CA 0.062 58.294 58.200 0.054 0.000 0.914 53 S CB 0.152 63.374 63.200 0.036 0.000 0.776 53 S HN 0.141 nan 8.310 nan 0.000 0.523 54 I N 2.876 123.485 120.570 0.065 0.000 2.471 54 I HA 0.113 4.283 4.170 0.000 0.000 0.286 54 I C 0.026 176.233 176.117 0.151 0.000 1.079 54 I CA -0.029 61.324 61.300 0.088 0.000 1.398 54 I CB 0.589 38.615 38.000 0.044 0.000 1.403 54 I HN -0.004 nan 8.210 nan 0.000 0.530 55 E N 7.072 127.404 120.200 0.220 0.000 2.081 55 E HA 0.281 4.631 4.350 0.000 0.000 0.276 55 E C -1.127 175.661 176.600 0.313 0.000 0.950 55 E CA -0.364 56.174 56.400 0.230 0.000 0.776 55 E CB 1.890 31.724 29.700 0.223 0.000 1.094 55 E HN 0.371 nan 8.360 nan 0.000 0.402 56 F N 4.548 124.537 119.950 0.065 0.000 3.065 56 F HA 0.286 4.813 4.527 0.000 0.000 0.383 56 F C -2.519 173.303 175.800 0.038 0.000 1.259 56 F CA -2.155 55.877 58.000 0.054 0.000 1.217 56 F CB 0.918 39.947 39.000 0.048 0.000 2.042 56 F HN 0.144 nan 8.300 nan 0.000 0.641 57 P HA 0.227 nan 4.420 nan 0.000 0.265 57 P C -1.022 176.042 177.300 -0.394 0.000 1.193 57 P CA 0.025 62.993 63.100 -0.220 0.000 0.765 57 P CB 1.021 32.635 31.700 -0.143 0.000 0.823 58 V N 2.474 122.247 119.914 -0.234 0.000 2.448 58 V HA 0.246 4.366 4.120 0.000 0.000 0.295 58 V C 0.326 176.353 176.094 -0.111 0.000 1.025 58 V CA -0.619 61.560 62.300 -0.200 0.000 0.859 58 V CB 1.667 33.431 31.823 -0.099 0.000 0.988 58 V HN 0.496 nan 8.190 nan 0.000 0.431 59 S N 4.187 119.831 115.700 -0.094 0.000 2.564 59 S HA 0.414 4.884 4.470 0.000 0.000 0.278 59 S C -0.012 174.571 174.600 -0.029 0.000 1.333 59 S CA -0.469 57.700 58.200 -0.052 0.000 1.048 59 S CB 0.420 63.602 63.200 -0.030 0.000 0.900 59 S HN 0.967 nan 8.310 nan 0.000 0.505 60 E N 0.097 120.281 120.200 -0.027 0.000 2.429 60 E HA 0.752 5.102 4.350 0.000 0.000 0.276 60 E C -1.631 174.956 176.600 -0.022 0.000 0.953 60 E CA -1.453 54.937 56.400 -0.016 0.000 0.787 60 E CB 1.711 31.397 29.700 -0.023 0.000 1.307 60 E HN 0.518 nan 8.360 nan 0.000 0.458 61 A N 1.796 124.610 122.820 -0.010 0.000 2.335 61 A HA 0.579 4.899 4.320 0.000 0.000 0.304 61 A C -0.803 176.758 177.584 -0.040 0.000 1.118 61 A CA -0.776 51.239 52.037 -0.035 0.000 0.757 61 A CB 0.970 19.979 19.000 0.016 0.000 1.188 61 A HN 0.508 nan 8.150 nan 0.000 0.460 62 R N 1.522 121.980 120.500 -0.070 0.000 2.338 62 R HA 0.462 4.802 4.340 0.000 0.000 0.317 62 R C -0.301 175.956 176.300 -0.072 0.000 0.968 62 R CA -0.686 55.379 56.100 -0.058 0.000 0.849 62 R CB 1.864 32.129 30.300 -0.058 0.000 1.128 62 R HN 0.679 nan 8.270 nan 0.000 0.448 63 V N 3.024 122.909 119.914 -0.048 0.000 2.446 63 V HA 0.106 4.226 4.120 0.000 0.000 0.276 63 V C 0.991 177.055 176.094 -0.050 0.000 1.030 63 V CA 0.025 62.296 62.300 -0.049 0.000 1.033 63 V CB 0.272 32.082 31.823 -0.022 0.000 0.993 63 V HN 0.786 nan 8.190 nan 0.000 0.477 64 L N 2.432 123.616 121.223 -0.064 0.000 2.262 64 L HA 0.377 4.717 4.340 0.000 0.000 0.197 64 L C 1.175 178.019 176.870 -0.044 0.000 1.073 64 L CA 0.681 55.487 54.840 -0.057 0.000 0.800 64 L CB 0.089 42.104 42.059 -0.073 0.000 0.987 64 L HN 0.679 nan 8.230 nan 0.000 0.470 65 E N 0.380 120.553 120.200 -0.045 0.000 2.176 65 E HA 0.208 4.558 4.350 0.000 0.000 0.267 65 E C -1.116 175.471 176.600 -0.022 0.000 0.893 65 E CA -0.123 56.258 56.400 -0.031 0.000 0.761 65 E CB 1.964 31.644 29.700 -0.033 0.000 1.133 65 E HN -0.052 nan 8.360 nan 0.000 0.409 66 D N 2.989 123.382 120.400 -0.012 0.000 3.060 66 D HA 0.131 4.771 4.640 0.000 0.000 0.326 66 D C -0.865 175.437 176.300 0.003 0.000 1.253 66 D CA -0.428 53.571 54.000 -0.002 0.000 0.737 66 D CB 0.190 40.989 40.800 -0.002 0.000 1.260 66 D HN 0.164 nan 8.370 nan 0.000 0.542 67 R N 1.559 122.062 120.500 0.005 0.000 2.543 67 R HA 0.374 4.714 4.340 0.000 0.000 0.277 67 R C -1.933 174.376 176.300 0.015 0.000 1.074 67 R CA -1.021 55.084 56.100 0.009 0.000 1.076 67 R CB 0.438 30.743 30.300 0.009 0.000 0.993 67 R HN 0.238 nan 8.270 nan 0.000 0.459 68 P HA 0.007 nan 4.420 nan 0.000 0.272 68 P C -0.517 176.798 177.300 0.024 0.000 1.240 68 P CA -0.165 62.946 63.100 0.018 0.000 0.791 68 P CB 0.609 32.318 31.700 0.014 0.000 0.978 69 L N 0.598 121.837 121.223 0.028 0.000 2.426 69 L HA 0.139 4.479 4.340 0.000 0.000 0.271 69 L C 1.156 178.044 176.870 0.029 0.000 1.169 69 L CA -0.144 54.717 54.840 0.035 0.000 0.836 69 L CB 0.076 42.159 42.059 0.040 0.000 1.112 69 L HN 0.366 nan 8.230 nan 0.000 0.465 70 S N 1.053 116.772 115.700 0.031 0.000 2.592 70 S HA 0.228 4.698 4.470 0.000 0.000 0.271 70 S C -0.443 174.168 174.600 0.017 0.000 1.326 70 S CA -0.777 57.436 58.200 0.021 0.000 1.024 70 S CB 0.866 64.078 63.200 0.019 0.000 0.921 70 S HN 0.491 nan 8.310 nan 0.000 0.527 71 D N 0.887 121.293 120.400 0.010 0.000 2.525 71 D HA 0.639 5.279 4.640 0.000 0.000 0.249 71 D C -0.141 176.160 176.300 0.001 0.000 1.072 71 D CA -0.596 53.409 54.000 0.007 0.000 1.067 71 D CB 1.027 41.831 40.800 0.007 0.000 1.282 71 D HN 0.337 nan 8.370 nan 0.000 0.587 80 V N 2.324 122.244 119.914 0.010 0.000 3.865 80 V HA -0.172 3.948 4.120 0.000 0.000 0.463 80 V C -0.843 175.270 176.094 0.032 0.000 0.682 80 V CA 1.466 63.775 62.300 0.015 0.000 1.913 80 V CB -1.317 30.509 31.823 0.005 0.000 2.326 80 V HN 0.503 nan 8.190 nan 0.000 0.496 81 T N 6.600 121.177 114.554 0.038 0.000 2.733 81 T HA 0.427 4.777 4.350 0.000 0.000 0.294 81 T C 0.809 175.555 174.700 0.076 0.000 0.956 81 T CA -0.262 61.869 62.100 0.052 0.000 0.987 81 T CB 1.872 70.763 68.868 0.038 0.000 0.920 81 T HN 0.756 nan 8.240 nan 0.000 0.470 82 Q N 1.538 121.407 119.800 0.116 0.000 2.391 82 Q HA 0.226 4.566 4.340 0.000 0.000 0.243 82 Q C 0.255 176.333 176.000 0.130 0.000 0.874 82 Q CA 0.168 56.075 55.803 0.174 0.000 0.950 82 Q CB 0.853 29.795 28.738 0.340 0.000 1.103 82 Q HN 0.414 nan 8.270 nan 0.000 0.544 83 V N 0.461 120.434 119.914 0.099 0.000 2.532 83 V HA 0.522 4.642 4.120 0.000 0.000 0.295 83 V C -0.380 175.746 176.094 0.054 0.000 1.041 83 V CA -0.464 61.871 62.300 0.059 0.000 0.926 83 V CB 1.781 33.629 31.823 0.041 0.000 0.992 83 V HN 0.005 nan 8.190 nan 0.000 0.457 84 S N 5.006 120.739 115.700 0.056 0.000 2.584 84 S HA 0.563 5.033 4.470 0.000 0.000 0.280 84 S C -2.985 171.652 174.600 0.061 0.000 1.162 84 S CA -0.875 57.354 58.200 0.048 0.000 0.951 84 S CB 2.325 65.551 63.200 0.043 0.000 1.108 84 S HN 0.551 nan 8.310 nan 0.000 0.464 85 P HA 0.327 nan 4.420 nan 0.000 0.275 85 P C -0.191 177.116 177.300 0.011 0.000 1.266 85 P CA -0.114 63.000 63.100 0.024 0.000 0.793 85 P CB 0.651 32.357 31.700 0.011 0.000 1.074 86 Q N -0.915 118.880 119.800 -0.008 0.000 2.297 86 Q HA 0.161 4.501 4.340 0.000 0.000 0.203 86 Q C 0.867 176.834 176.000 -0.055 0.000 0.931 86 Q CA 1.034 56.825 55.803 -0.019 0.000 0.885 86 Q CB 0.341 29.072 28.738 -0.012 0.000 0.991 86 Q HN 0.340 nan 8.270 nan 0.000 0.498 87 R N 0.360 120.816 120.500 -0.073 0.000 2.515 87 R HA 0.500 4.840 4.340 0.000 0.000 0.291 87 R C -1.563 174.652 176.300 -0.142 0.000 1.046 87 R CA -0.219 55.811 56.100 -0.117 0.000 0.914 87 R CB 0.919 31.160 30.300 -0.098 0.000 1.191 87 R HN 0.059 nan 8.270 nan 0.000 0.435 88 I N 2.599 123.036 120.570 -0.221 0.000 2.530 88 I HA 0.480 4.650 4.170 0.000 0.000 0.297 88 I C -0.224 175.729 176.117 -0.273 0.000 1.011 88 I CA -1.029 60.118 61.300 -0.255 0.000 1.107 88 I CB 2.175 39.942 38.000 -0.389 0.000 1.285 88 I HN 0.677 nan 8.210 nan 0.000 0.436 89 A N 7.429 130.121 122.820 -0.213 0.000 2.273 89 A HA 0.626 4.946 4.320 0.000 0.000 0.320 89 A C -0.705 176.760 177.584 -0.198 0.000 1.358 89 A CA -0.400 51.520 52.037 -0.196 0.000 0.910 89 A CB 0.301 19.217 19.000 -0.139 0.000 1.159 89 A HN 0.656 nan 8.150 nan 0.000 0.526 90 L N 2.627 123.711 121.223 -0.231 0.000 2.292 90 L HA 0.505 4.845 4.340 0.000 0.000 0.284 90 L C 0.627 177.387 176.870 -0.183 0.000 1.065 90 L CA -0.316 54.412 54.840 -0.187 0.000 0.806 90 L CB 1.214 43.169 42.059 -0.172 0.000 1.175 90 L HN 0.764 nan 8.230 nan 0.000 0.431 91 R N 4.685 125.106 120.500 -0.133 0.000 2.435 91 R HA 0.597 4.937 4.340 0.000 0.000 0.308 91 R C -1.509 174.739 176.300 -0.086 0.000 0.975 91 R CA -0.506 55.514 56.100 -0.133 0.000 0.867 91 R CB 1.003 31.244 30.300 -0.099 0.000 1.171 91 R HN 0.572 nan 8.270 nan 0.000 0.470 92 L N 4.182 125.357 121.223 -0.081 0.000 2.333 92 L HA 0.653 4.993 4.340 0.000 0.000 0.269 92 L C 0.114 177.023 176.870 0.065 0.000 1.010 92 L CA -1.123 53.726 54.840 0.016 0.000 0.818 92 L CB 2.021 44.136 42.059 0.093 0.000 1.306 92 L HN 0.601 nan 8.230 nan 0.000 0.430 93 R N 0.707 121.234 120.500 0.044 0.000 2.856 93 R HA 0.643 4.983 4.340 0.000 0.000 0.258 93 R C -2.768 173.561 176.300 0.050 0.000 1.066 93 R CA -2.149 53.971 56.100 0.033 0.000 1.045 93 R CB 0.276 30.554 30.300 -0.037 0.000 1.178 93 R HN 0.155 nan 8.270 nan 0.000 0.499 94 P HA -0.100 nan 4.420 nan 0.000 0.259 94 P C -0.781 176.525 177.300 0.010 0.000 1.163 94 P CA 0.906 64.012 63.100 0.010 0.000 0.760 94 P CB 0.145 31.841 31.700 -0.007 0.000 0.762 95 D N -0.697 119.707 120.400 0.006 0.000 3.077 95 D HA -0.196 4.444 4.640 0.000 0.000 0.217 95 D C 0.157 176.467 176.300 0.017 0.000 1.162 95 D CA 1.393 55.397 54.000 0.006 0.000 0.943 95 D CB -0.889 39.912 40.800 0.001 0.000 1.122 95 D HN 0.433 nan 8.370 nan 0.000 0.413 96 D N -0.271 120.146 120.400 0.028 0.000 2.332 96 D HA 0.547 5.188 4.640 0.000 0.000 0.252 96 D C -0.153 176.170 176.300 0.037 0.000 1.050 96 D CA -0.241 53.773 54.000 0.023 0.000 0.970 96 D CB 1.271 42.075 40.800 0.008 0.000 1.141 96 D HN 0.052 nan 8.370 nan 0.000 0.485 97 S N 0.739 116.455 115.700 0.028 0.000 2.599 97 S HA 0.805 5.275 4.470 0.000 0.000 0.294 97 S C -0.737 173.887 174.600 0.039 0.000 1.094 97 S CA -0.867 57.353 58.200 0.035 0.000 0.931 97 S CB 2.493 65.701 63.200 0.014 0.000 1.093 97 S HN 0.343 nan 8.310 nan 0.000 0.488 98 K N 0.957 121.396 120.400 0.066 0.000 2.508 98 K HA 0.516 4.836 4.320 0.000 0.000 0.260 98 K C -1.429 175.243 176.600 0.119 0.000 0.949 98 K CA -0.519 55.819 56.287 0.085 0.000 0.834 98 K CB 1.449 34.007 32.500 0.096 0.000 1.365 98 K HN 0.900 nan 8.250 nan 0.000 0.437 99 N N 1.956 120.707 118.700 0.085 0.000 2.459 99 N HA 0.620 5.360 4.740 0.000 0.000 0.288 99 N C -0.827 174.773 175.510 0.151 0.000 1.186 99 N CA -0.417 52.631 53.050 -0.004 0.000 0.917 99 N CB 0.965 39.405 38.487 -0.078 0.000 1.219 99 N HN 0.461 nan 8.380 nan 0.000 0.525 100 F N -3.208 116.746 119.950 0.006 0.000 2.686 100 F HA 0.621 5.148 4.527 0.000 0.000 0.311 100 F C -0.426 175.395 175.800 0.034 0.000 1.128 100 F CA -1.211 56.798 58.000 0.015 0.000 0.946 100 F CB 1.299 40.304 39.000 0.010 0.000 1.336 100 F HN 0.454 nan 8.300 nan 0.000 0.457 101 S N 1.338 117.169 115.700 0.218 0.000 2.651 101 S HA 0.826 5.296 4.470 0.000 0.000 0.291 101 S C -1.089 173.641 174.600 0.217 0.000 1.141 101 S CA -0.600 57.683 58.200 0.138 0.000 1.027 101 S CB 1.185 64.442 63.200 0.095 0.000 1.043 101 S HN 0.817 nan 8.310 nan 0.000 0.530 102 I N 2.017 122.700 120.570 0.189 0.000 2.752 102 I HA 0.401 4.571 4.170 0.000 0.000 0.295 102 I C -1.530 174.697 176.117 0.182 0.000 1.219 102 I CA -0.444 60.978 61.300 0.202 0.000 1.030 102 I CB 2.030 40.178 38.000 0.247 0.000 1.259 102 I HN 0.660 nan 8.210 nan 0.000 0.423 103 Q N 5.399 125.278 119.800 0.132 0.000 2.333 103 Q HA 0.633 4.973 4.340 0.000 0.000 0.267 103 Q C -1.584 174.473 176.000 0.096 0.000 1.012 103 Q CA -0.803 55.059 55.803 0.097 0.000 0.824 103 Q CB 3.146 31.917 28.738 0.055 0.000 1.290 103 Q HN 0.445 nan 8.270 nan 0.000 0.449 104 V N 2.617 122.588 119.914 0.095 0.000 2.604 104 V HA 0.601 4.721 4.120 0.000 0.000 0.305 104 V C -0.534 175.590 176.094 0.051 0.000 1.043 104 V CA -0.794 61.528 62.300 0.037 0.000 0.888 104 V CB 1.989 33.799 31.823 -0.021 0.000 0.995 104 V HN 0.672 nan 8.190 nan 0.000 0.429 105 R N 2.854 123.414 120.500 0.099 0.000 2.574 105 R HA 0.500 4.840 4.340 0.000 0.000 0.288 105 R C -0.937 175.532 176.300 0.282 0.000 1.004 105 R CA -0.794 55.393 56.100 0.145 0.000 0.895 105 R CB 1.874 32.234 30.300 0.099 0.000 1.191 105 R HN 0.706 nan 8.270 nan 0.000 0.444 106 Q N 3.372 123.330 119.800 0.263 0.000 2.348 106 Q HA 0.152 4.492 4.340 0.000 0.000 0.251 106 Q C -0.552 175.481 176.000 0.055 0.000 1.113 106 Q CA 0.113 56.052 55.803 0.228 0.000 0.902 106 Q CB 1.178 30.032 28.738 0.194 0.000 1.333 106 Q HN 0.615 nan 8.270 nan 0.000 0.457 107 V N 2.955 122.887 119.914 0.029 0.000 2.690 107 V HA 0.085 4.205 4.120 0.000 0.000 0.240 107 V C 0.734 176.773 176.094 -0.092 0.000 1.078 107 V CA 0.421 62.709 62.300 -0.020 0.000 1.102 107 V CB -0.183 31.650 31.823 0.016 0.000 0.800 107 V HN 0.739 nan 8.190 nan 0.000 0.479 108 E N 1.178 121.304 120.200 -0.124 0.000 2.398 108 E HA 0.011 4.361 4.350 0.000 0.000 0.263 108 E C -0.656 175.815 176.600 -0.215 0.000 1.046 108 E CA -0.394 55.919 56.400 -0.144 0.000 0.908 108 E CB 0.455 30.066 29.700 -0.148 0.000 0.963 108 E HN 0.374 nan 8.360 nan 0.000 0.431 109 D N 1.930 122.244 120.400 -0.143 0.000 2.362 109 D HA 0.013 4.653 4.640 0.000 0.000 0.242 109 D C -0.524 175.739 176.300 -0.062 0.000 1.132 109 D CA 0.398 54.329 54.000 -0.115 0.000 0.907 109 D CB 0.301 41.099 40.800 -0.003 0.000 1.195 109 D HN 0.291 nan 8.370 nan 0.000 0.429 110 Y N 0.861 121.262 120.300 0.167 0.000 2.346 110 Y HA 0.194 4.744 4.550 0.000 0.000 0.330 110 Y C -1.533 174.451 175.900 0.140 0.000 1.178 110 Y CA -2.405 55.740 58.100 0.076 0.000 1.331 110 Y CB -0.037 38.374 38.460 -0.081 0.000 1.253 110 Y HN 0.052 nan 8.280 nan 0.000 0.529 111 P HA 0.131 nan 4.420 nan 0.000 0.276 111 P C -0.957 176.441 177.300 0.163 0.000 1.253 111 P CA 0.116 63.309 63.100 0.156 0.000 0.766 111 P CB 1.038 32.798 31.700 0.100 0.000 0.845 112 V N 4.160 124.177 119.914 0.171 0.000 2.588 112 V HA 0.302 4.422 4.120 0.000 0.000 0.304 112 V C -0.153 176.045 176.094 0.173 0.000 1.042 112 V CA -0.502 61.903 62.300 0.176 0.000 0.877 112 V CB 2.162 34.105 31.823 0.200 0.000 0.996 112 V HN 0.420 nan 8.190 nan 0.000 0.425 113 D N 4.334 124.895 120.400 0.268 0.000 2.193 113 D HA 0.589 5.229 4.640 0.000 0.000 0.244 113 D C -0.536 175.975 176.300 0.351 0.000 1.064 113 D CA 0.004 54.198 54.000 0.324 0.000 0.845 113 D CB 2.276 43.428 40.800 0.586 0.000 1.148 113 D HN 0.348 nan 8.370 nan 0.000 0.464 114 I N 2.849 123.542 120.570 0.204 0.000 2.439 114 I HA 0.167 4.337 4.170 0.000 0.000 0.283 114 I C -1.058 175.190 176.117 0.218 0.000 1.023 114 I CA -0.950 60.481 61.300 0.218 0.000 1.100 114 I CB 1.263 39.306 38.000 0.071 0.000 1.238 114 I HN 0.225 nan 8.210 nan 0.000 0.445 115 Y N 7.056 127.479 120.300 0.204 0.000 2.330 115 Y HA 0.410 4.960 4.550 0.000 0.000 0.336 115 Y C -1.254 174.889 175.900 0.404 0.000 1.036 115 Y CA -0.531 57.690 58.100 0.202 0.000 1.125 115 Y CB 1.152 39.622 38.460 0.017 0.000 1.194 115 Y HN 0.429 nan 8.280 nan 0.000 0.469 116 Y N 6.737 126.933 120.300 -0.174 0.000 2.328 116 Y HA 0.516 5.066 4.550 0.000 0.000 0.336 116 Y C -1.600 174.303 175.900 0.006 0.000 0.960 116 Y CA -1.456 56.663 58.100 0.030 0.000 1.134 116 Y CB 0.795 39.349 38.460 0.156 0.000 1.166 116 Y HN 0.587 nan 8.280 nan 0.000 0.464 117 L N 7.346 128.513 121.223 -0.092 0.000 2.272 117 L HA 0.487 4.827 4.340 0.000 0.000 0.289 117 L C -0.579 176.148 176.870 -0.239 0.000 1.032 117 L CA -0.395 54.481 54.840 0.061 0.000 0.810 117 L CB 1.020 43.305 42.059 0.377 0.000 1.205 117 L HN 0.600 nan 8.230 nan 0.000 0.422 118 M N 3.271 122.771 119.600 -0.167 0.000 2.061 118 M HA 0.195 4.675 4.480 0.000 0.000 0.346 118 M C -0.475 175.479 176.300 -0.578 0.000 1.112 118 M CA -0.646 54.438 55.300 -0.359 0.000 1.021 118 M CB 1.203 33.675 32.600 -0.212 0.000 1.530 118 M HN 0.375 nan 8.290 nan 0.000 0.437 119 D N 4.595 124.472 120.400 -0.872 0.000 2.349 119 D HA 0.069 4.709 4.640 0.000 0.000 0.266 119 D C -0.161 175.784 176.300 -0.591 0.000 1.293 119 D CA 0.364 53.626 54.000 -1.231 0.000 0.926 119 D CB 0.579 40.932 40.800 -0.744 0.000 1.090 119 D HN 0.647 nan 8.370 nan 0.000 0.502 120 L N 3.341 124.270 121.223 -0.490 0.000 3.062 120 L HA 0.103 4.443 4.340 0.000 0.000 0.255 120 L C 0.978 177.754 176.870 -0.157 0.000 1.274 120 L CA -0.440 54.274 54.840 -0.210 0.000 1.047 120 L CB -0.157 41.882 42.059 -0.034 0.000 1.402 120 L HN 0.270 nan 8.230 nan 0.000 0.550 121 S N -1.940 113.649 115.700 -0.184 0.000 2.608 121 S HA 0.012 4.482 4.470 0.000 0.000 0.261 121 S C 0.908 175.528 174.600 0.034 0.000 1.314 121 S CA -0.270 57.902 58.200 -0.047 0.000 0.992 121 S CB 0.765 63.949 63.200 -0.025 0.000 0.935 121 S HN 0.264 nan 8.310 nan 0.000 0.564 122 Y N 1.557 121.853 120.300 -0.007 0.000 2.352 122 Y HA -0.065 4.485 4.550 0.000 0.000 0.292 122 Y C 2.715 178.619 175.900 0.007 0.000 1.136 122 Y CA 1.629 59.735 58.100 0.011 0.000 1.227 122 Y CB -0.727 37.756 38.460 0.038 0.000 0.991 122 Y HN 0.856 nan 8.280 nan 0.000 0.545 123 S N -0.875 114.849 115.700 0.040 0.000 2.440 123 S HA -0.183 4.287 4.470 0.000 0.000 0.238 123 S C 1.630 176.174 174.600 -0.093 0.000 1.010 123 S CA 1.236 59.422 58.200 -0.023 0.000 0.972 123 S CB -0.413 62.803 63.200 0.026 0.000 0.774 123 S HN 0.384 nan 8.310 nan 0.000 0.501 124 M N 0.910 120.443 119.600 -0.112 0.000 2.563 124 M HA 0.258 4.738 4.480 0.000 0.000 0.231 124 M C 1.824 178.040 176.300 -0.141 0.000 1.136 124 M CA 0.324 55.554 55.300 -0.116 0.000 1.026 124 M CB -0.672 31.849 32.600 -0.131 0.000 1.597 124 M HN 0.443 nan 8.290 nan 0.000 0.495 125 K N 1.758 122.013 120.400 -0.241 0.000 2.020 125 K HA -0.216 4.104 4.320 0.000 0.000 0.212 125 K C 1.499 178.017 176.600 -0.138 0.000 1.050 125 K CA 2.151 58.284 56.287 -0.256 0.000 0.929 125 K CB -0.004 32.189 32.500 -0.512 0.000 0.714 125 K HN 0.399 nan 8.250 nan 0.000 0.443 126 D N -0.252 120.073 120.400 -0.126 0.000 2.312 126 D HA -0.151 4.489 4.640 0.000 0.000 0.211 126 D C 0.513 176.809 176.300 -0.008 0.000 0.964 126 D CA 0.880 54.844 54.000 -0.060 0.000 0.877 126 D CB -0.076 40.689 40.800 -0.059 0.000 0.924 126 D HN 0.257 nan 8.370 nan 0.000 0.515 127 D N 0.133 120.523 120.400 -0.015 0.000 2.369 127 D HA 0.014 4.654 4.640 0.000 0.000 0.211 127 D C 1.927 178.247 176.300 0.033 0.000 1.077 127 D CA -0.252 53.761 54.000 0.022 0.000 0.842 127 D CB 0.606 41.401 40.800 -0.008 0.000 0.947 127 D HN 0.148 nan 8.370 nan 0.000 0.509 128 L N -0.096 121.140 121.223 0.021 0.000 2.046 128 L HA -0.070 4.270 4.340 0.000 0.000 0.208 128 L C 2.056 178.951 176.870 0.042 0.000 1.077 128 L CA 1.594 56.436 54.840 0.003 0.000 0.747 128 L CB -0.572 41.481 42.059 -0.010 0.000 0.896 128 L HN 0.120 nan 8.230 nan 0.000 0.432 129 W N -0.178 121.089 121.300 -0.055 0.000 2.338 129 W HA -0.229 4.431 4.660 0.000 0.000 0.304 129 W C 2.575 179.074 176.519 -0.033 0.000 1.212 129 W CA 2.051 59.370 57.345 -0.045 0.000 1.264 129 W CB -0.203 29.233 29.460 -0.040 0.000 1.142 129 W HN 0.124 nan 8.180 nan 0.000 0.512 130 S N 0.711 116.560 115.700 0.248 0.000 2.368 130 S HA -0.220 4.250 4.470 0.000 0.000 0.225 130 S C 1.852 176.420 174.600 -0.053 0.000 1.030 130 S CA 1.771 60.054 58.200 0.138 0.000 0.999 130 S CB -0.771 62.539 63.200 0.184 0.000 0.844 130 S HN 0.531 nan 8.310 nan 0.000 0.459 131 I N -0.211 120.337 120.570 -0.037 0.000 2.500 131 I HA -0.076 4.094 4.170 0.000 0.000 0.252 131 I C 2.156 178.250 176.117 -0.038 0.000 1.142 131 I CA 1.066 62.373 61.300 0.011 0.000 1.451 131 I CB -0.549 37.436 38.000 -0.026 0.000 1.093 131 I HN 0.171 nan 8.210 nan 0.000 0.430 132 Q N 1.533 121.213 119.800 -0.199 0.000 2.046 132 Q HA -0.214 4.126 4.340 0.000 0.000 0.200 132 Q C 2.050 177.798 176.000 -0.419 0.000 0.975 132 Q CA 2.161 57.777 55.803 -0.312 0.000 0.836 132 Q CB -0.317 28.210 28.738 -0.351 0.000 0.896 132 Q HN 0.604 nan 8.270 nan 0.000 0.428 133 N N 0.509 118.832 118.700 -0.628 0.000 2.120 133 N HA -0.176 4.564 4.740 0.000 0.000 0.188 133 N C 1.581 176.882 175.510 -0.349 0.000 1.024 133 N CA 0.710 53.362 53.050 -0.663 0.000 0.852 133 N CB -0.132 37.667 38.487 -1.147 0.000 1.003 133 N HN 0.141 nan 8.380 nan 0.000 0.424 134 L N 0.198 121.277 121.223 -0.239 0.000 2.017 134 L HA 0.127 4.467 4.340 0.000 0.000 0.208 134 L C 2.109 178.814 176.870 -0.276 0.000 1.073 134 L CA 2.176 56.927 54.840 -0.150 0.000 0.745 134 L CB -1.297 40.762 42.059 -0.001 0.000 0.894 134 L HN 0.257 nan 8.230 nan 0.000 0.432 135 G N -1.577 106.983 108.800 -0.400 0.000 2.421 135 G HA2 -0.315 3.645 3.960 0.000 0.000 0.216 135 G HA3 -0.315 3.645 3.960 0.000 0.000 0.216 135 G C 1.490 176.282 174.900 -0.179 0.000 1.171 135 G CA 1.452 46.184 45.100 -0.615 0.000 0.775 135 G HN 0.535 nan 8.290 nan 0.000 0.543 136 T N -1.103 113.349 114.554 -0.170 0.000 2.951 136 T HA 0.083 4.433 4.350 0.000 0.000 0.268 136 T C 2.151 176.792 174.700 -0.099 0.000 1.073 136 T CA 1.167 63.217 62.100 -0.084 0.000 1.134 136 T CB -0.033 68.745 68.868 -0.150 0.000 0.884 136 T HN 0.143 nan 8.240 nan 0.000 0.479 137 K N 1.037 121.353 120.400 -0.141 0.000 2.116 137 K HA 0.219 4.539 4.320 0.000 0.000 0.203 137 K C 2.342 178.872 176.600 -0.118 0.000 1.052 137 K CA 0.514 56.733 56.287 -0.114 0.000 0.952 137 K CB -0.559 31.878 32.500 -0.105 0.000 0.729 137 K HN 0.380 nan 8.250 nan 0.000 0.446 138 L N 0.848 121.978 121.223 -0.155 0.000 1.989 138 L HA -0.239 4.101 4.340 0.000 0.000 0.211 138 L C 2.644 179.402 176.870 -0.186 0.000 1.071 138 L CA 1.531 56.269 54.840 -0.169 0.000 0.749 138 L CB -0.701 41.216 42.059 -0.237 0.000 0.890 138 L HN 0.145 nan 8.230 nan 0.000 0.431 139 A N -0.604 122.088 122.820 -0.215 0.000 1.865 139 A HA -0.230 4.090 4.320 0.000 0.000 0.217 139 A C 2.338 179.832 177.584 -0.151 0.000 1.191 139 A CA 2.579 54.465 52.037 -0.253 0.000 0.623 139 A CB -1.012 17.864 19.000 -0.207 0.000 0.826 139 A HN 0.437 nan 8.150 nan 0.000 0.444 140 T N -0.334 114.159 114.554 -0.102 0.000 2.770 140 T HA -0.101 4.249 4.350 0.000 0.000 0.263 140 T C 2.096 176.746 174.700 -0.084 0.000 1.039 140 T CA 1.439 63.493 62.100 -0.078 0.000 1.142 140 T CB -0.197 68.636 68.868 -0.059 0.000 0.868 140 T HN 0.439 nan 8.240 nan 0.000 0.435 141 Q N 0.284 120.031 119.800 -0.088 0.000 2.137 141 Q HA 0.161 4.501 4.340 0.000 0.000 0.198 141 Q C 2.276 178.211 176.000 -0.109 0.000 0.960 141 Q CA 0.800 56.553 55.803 -0.084 0.000 0.847 141 Q CB -0.298 28.397 28.738 -0.071 0.000 0.915 141 Q HN 0.417 nan 8.270 nan 0.000 0.448 142 M N 0.239 119.763 119.600 -0.126 0.000 2.319 142 M HA -0.067 4.413 4.480 0.000 0.000 0.265 142 M C 1.993 178.194 176.300 -0.165 0.000 1.068 142 M CA 0.983 56.188 55.300 -0.158 0.000 1.118 142 M CB -0.686 31.828 32.600 -0.144 0.000 1.395 142 M HN 0.041 nan 8.290 nan 0.000 0.435 143 R N 1.106 121.526 120.500 -0.133 0.000 2.075 143 R HA -0.073 4.267 4.340 0.000 0.000 0.232 143 R C 1.887 178.123 176.300 -0.106 0.000 1.126 143 R CA 1.653 57.686 56.100 -0.112 0.000 0.963 143 R CB -0.304 29.941 30.300 -0.092 0.000 0.858 143 R HN 0.269 nan 8.270 nan 0.000 0.435 144 K N -0.400 119.940 120.400 -0.101 0.000 2.147 144 K HA -0.115 4.205 4.320 0.000 0.000 0.205 144 K C 1.756 178.285 176.600 -0.120 0.000 1.049 144 K CA 1.279 57.511 56.287 -0.091 0.000 0.936 144 K CB -0.205 32.251 32.500 -0.073 0.000 0.722 144 K HN 0.095 nan 8.250 nan 0.000 0.446 145 L N 0.179 121.296 121.223 -0.176 0.000 2.179 145 L HA 0.009 4.349 4.340 0.000 0.000 0.208 145 L C 0.460 177.113 176.870 -0.362 0.000 1.096 145 L CA 1.342 56.016 54.840 -0.276 0.000 0.779 145 L CB 0.446 42.282 42.059 -0.370 0.000 0.922 145 L HN -0.012 nan 8.230 nan 0.000 0.443 146 T N -2.434 111.951 114.554 -0.281 0.000 3.293 146 T HA 0.203 4.553 4.350 0.000 0.000 0.320 146 T C 0.869 175.513 174.700 -0.094 0.000 0.995 146 T CA 0.043 62.032 62.100 -0.184 0.000 1.041 146 T CB 0.889 69.643 68.868 -0.189 0.000 1.058 146 T HN 0.251 nan 8.240 nan 0.000 0.453 147 S N 3.899 119.563 115.700 -0.060 0.000 2.447 147 S HA -0.023 4.447 4.470 0.000 0.000 0.233 147 S C 1.049 175.634 174.600 -0.025 0.000 1.006 147 S CA 0.568 58.742 58.200 -0.044 0.000 0.957 147 S CB -0.215 62.962 63.200 -0.037 0.000 0.773 147 S HN 0.710 nan 8.310 nan 0.000 0.507 148 N N 1.754 120.451 118.700 -0.005 0.000 2.466 148 N HA 0.270 5.010 4.740 0.000 0.000 0.251 148 N C -0.536 174.993 175.510 0.032 0.000 1.164 148 N CA -0.120 52.941 53.050 0.020 0.000 0.888 148 N CB 0.269 38.781 38.487 0.040 0.000 1.177 148 N HN 0.423 nan 8.380 nan 0.000 0.498 149 L N 0.888 122.110 121.223 -0.003 0.000 2.371 149 L HA 0.309 4.649 4.340 0.000 0.000 0.272 149 L C -0.057 176.802 176.870 -0.019 0.000 1.124 149 L CA -0.053 54.779 54.840 -0.013 0.000 0.816 149 L CB 0.591 42.609 42.059 -0.067 0.000 1.129 149 L HN -0.005 nan 8.230 nan 0.000 0.448 150 R N 5.798 126.295 120.500 -0.006 0.000 2.575 150 R HA 0.630 4.970 4.340 0.000 0.000 0.293 150 R C -1.335 174.930 176.300 -0.058 0.000 0.983 150 R CA -0.737 55.349 56.100 -0.023 0.000 0.887 150 R CB 2.101 32.410 30.300 0.015 0.000 1.184 150 R HN 0.710 nan 8.270 nan 0.000 0.445 151 I N 0.899 121.390 120.570 -0.132 0.000 2.730 151 I HA 0.767 4.937 4.170 0.000 0.000 0.298 151 I C -0.701 175.356 176.117 -0.098 0.000 1.089 151 I CA -0.399 60.749 61.300 -0.254 0.000 1.041 151 I CB 2.375 39.972 38.000 -0.672 0.000 1.235 151 I HN 0.773 nan 8.210 nan 0.000 0.423 152 G N 4.664 113.518 108.800 0.090 0.000 2.600 152 G HA2 0.665 4.625 3.960 0.000 0.000 0.293 152 G HA3 0.665 4.625 3.960 0.000 0.000 0.293 152 G C -1.838 173.315 174.900 0.422 0.000 1.408 152 G CA -0.553 44.792 45.100 0.409 0.000 0.782 152 G HN 0.738 nan 8.290 nan 0.000 0.482 153 F N -1.799 118.144 119.950 -0.012 0.000 2.741 153 F HA 0.899 5.426 4.527 0.000 0.000 0.313 153 F C -0.127 175.503 175.800 -0.283 0.000 1.153 153 F CA -0.591 57.186 58.000 -0.371 0.000 0.931 153 F CB 1.540 40.552 39.000 0.020 0.000 1.335 153 F HN 1.074 nan 8.300 nan 0.000 0.460 154 G N -0.006 108.718 108.800 -0.126 0.000 2.695 154 G HA2 0.834 4.794 3.960 0.000 0.000 0.290 154 G HA3 0.834 4.794 3.960 0.000 0.000 0.290 154 G C -2.264 172.834 174.900 0.331 0.000 1.410 154 G CA -0.602 44.588 45.100 0.150 0.000 0.844 154 G HN 1.254 nan 8.290 nan 0.000 0.478 155 A N -0.626 122.394 122.820 0.333 0.000 2.423 155 A HA 0.978 5.298 4.320 0.000 0.000 0.304 155 A C -1.092 176.895 177.584 0.671 0.000 1.104 155 A CA -0.751 51.519 52.037 0.388 0.000 0.757 155 A CB 1.393 20.602 19.000 0.349 0.000 1.313 155 A HN 1.880 nan 8.150 nan 0.000 0.423 156 F N -0.619 119.553 119.950 0.370 0.000 2.631 156 F HA 0.762 5.289 4.527 0.000 0.000 0.308 156 F C -0.542 175.206 175.800 -0.086 0.000 1.097 156 F CA -0.774 57.382 58.000 0.260 0.000 0.952 156 F CB 0.811 40.005 39.000 0.323 0.000 1.307 156 F HN 0.347 nan 8.300 nan 0.000 0.450 157 V N -0.583 119.298 119.914 -0.055 0.000 4.213 157 V HA 0.453 4.573 4.120 0.000 0.000 0.179 157 V C -0.898 175.316 176.094 0.199 0.000 1.148 157 V CA 0.552 62.790 62.300 -0.104 0.000 1.346 157 V CB 0.580 32.171 31.823 -0.386 0.000 1.703 157 V HN 0.894 nan 8.190 nan 0.000 0.525 158 D N -1.287 119.197 120.400 0.140 0.000 2.738 158 D HA 0.258 4.898 4.640 0.000 0.000 0.308 158 D C -1.505 174.907 176.300 0.186 0.000 1.311 158 D CA -0.620 53.497 54.000 0.195 0.000 0.799 158 D CB 1.500 42.373 40.800 0.123 0.000 1.332 158 D HN 0.095 nan 8.370 nan 0.000 0.441 159 K N 1.746 122.242 120.400 0.161 0.000 2.402 159 K HA 0.216 4.536 4.320 0.000 0.000 0.285 159 K C -1.937 174.809 176.600 0.243 0.000 1.054 159 K CA -1.038 55.357 56.287 0.181 0.000 1.001 159 K CB 0.461 33.032 32.500 0.119 0.000 0.946 159 K HN 0.100 nan 8.250 nan 0.000 0.473 160 P HA 0.002 nan 4.420 nan 0.000 0.241 160 P C -0.816 176.561 177.300 0.129 0.000 1.760 160 P CA 0.118 63.317 63.100 0.166 0.000 1.081 160 P CB 0.195 31.992 31.700 0.162 0.000 1.975 161 V N 1.282 121.284 119.914 0.146 0.000 3.048 161 V HA 0.386 4.506 4.120 0.000 0.000 0.303 161 V C -0.448 175.625 176.094 -0.035 0.000 1.214 161 V CA -0.793 61.537 62.300 0.051 0.000 0.984 161 V CB 2.394 34.237 31.823 0.033 0.000 1.054 161 V HN 0.280 nan 8.190 nan 0.000 0.430 162 S N 6.065 121.713 115.700 -0.087 0.000 2.560 162 S HA 0.361 4.831 4.470 0.000 0.000 0.284 162 S C -1.386 173.029 174.600 -0.309 0.000 1.327 162 S CA -0.004 58.102 58.200 -0.156 0.000 1.055 162 S CB 1.178 64.316 63.200 -0.103 0.000 0.868 162 S HN 0.825 nan 8.310 nan 0.000 0.506 163 P HA 0.092 nan 4.420 nan 0.000 0.255 163 P C 0.469 177.632 177.300 -0.228 0.000 1.248 163 P CA 0.414 63.344 63.100 -0.283 0.000 0.807 163 P CB -0.132 31.427 31.700 -0.235 0.000 1.150 164 Y N -0.193 120.078 120.300 -0.049 0.000 2.181 164 Y HA -0.025 4.525 4.550 0.000 0.000 0.288 164 Y C 1.909 177.750 175.900 -0.099 0.000 1.146 164 Y CA 0.096 58.178 58.100 -0.029 0.000 1.164 164 Y CB -0.424 38.069 38.460 0.055 0.000 0.982 164 Y HN -0.051 nan 8.280 nan 0.000 0.515 165 M N 0.134 119.768 119.600 0.058 0.000 2.277 165 M HA 0.232 4.712 4.480 0.000 0.000 0.350 165 M C -1.439 174.819 176.300 -0.071 0.000 1.180 165 M CA -0.634 54.685 55.300 0.032 0.000 1.103 165 M CB 0.658 33.313 32.600 0.091 0.000 1.577 165 M HN 0.034 nan 8.290 nan 0.000 0.459 166 Y N 5.202 125.535 120.300 0.055 0.000 2.436 166 Y HA 0.185 4.735 4.550 0.000 0.000 0.336 166 Y C 0.910 176.822 175.900 0.020 0.000 1.049 166 Y CA -0.062 58.057 58.100 0.033 0.000 1.294 166 Y CB 0.164 38.642 38.460 0.030 0.000 1.179 166 Y HN 0.639 nan 8.280 nan 0.000 0.520 167 I N -0.237 120.413 120.570 0.133 0.000 3.936 167 I HA 0.437 4.607 4.170 0.000 0.000 0.330 167 I C -0.272 175.874 176.117 0.049 0.000 1.509 167 I CA -0.205 61.136 61.300 0.068 0.000 1.126 167 I CB 0.103 38.120 38.000 0.027 0.000 1.115 167 I HN 0.382 nan 8.210 nan 0.000 0.424 168 S N 0.294 116.037 115.700 0.071 0.000 2.552 168 S HA 0.644 5.114 4.470 0.000 0.000 0.272 168 S C -3.037 171.577 174.600 0.025 0.000 1.150 168 S CA -0.889 57.327 58.200 0.027 0.000 0.849 168 S CB 1.378 64.598 63.200 0.033 0.000 1.113 168 S HN 0.054 nan 8.310 nan 0.000 0.458 169 P HA 0.359 nan 4.420 nan 0.000 0.274 169 P C -2.095 175.109 177.300 -0.160 0.000 1.260 169 P CA -1.173 61.865 63.100 -0.102 0.000 0.793 169 P CB -0.641 30.972 31.700 -0.146 0.000 1.048 170 P HA -0.194 nan 4.420 nan 0.000 0.217 170 P C 1.233 178.433 177.300 -0.167 0.000 1.151 170 P CA 1.595 64.626 63.100 -0.116 0.000 0.849 170 P CB -0.081 31.565 31.700 -0.089 0.000 0.787 171 E N -0.406 119.608 120.200 -0.310 0.000 2.209 171 E HA -0.155 4.195 4.350 0.000 0.000 0.196 171 E C 2.073 178.499 176.600 -0.291 0.000 0.993 171 E CA 1.419 57.589 56.400 -0.385 0.000 0.819 171 E CB -1.035 28.182 29.700 -0.805 0.000 0.745 171 E HN 0.209 nan 8.360 nan 0.000 0.477 172 A N 0.237 122.895 122.820 -0.271 0.000 2.070 172 A HA -0.114 4.206 4.320 0.000 0.000 0.220 172 A C 2.015 179.599 177.584 -0.000 0.000 1.159 172 A CA 0.827 52.813 52.037 -0.085 0.000 0.656 172 A CB -0.455 18.527 19.000 -0.029 0.000 0.800 172 A HN 0.196 nan 8.150 nan 0.000 0.453 173 L N -0.961 120.257 121.223 -0.010 0.000 2.027 173 L HA -0.118 4.222 4.340 0.000 0.000 0.206 173 L C 2.572 179.469 176.870 0.045 0.000 1.074 173 L CA 1.190 56.050 54.840 0.032 0.000 0.745 173 L CB -0.425 41.645 42.059 0.017 0.000 0.898 173 L HN 0.272 nan 8.230 nan 0.000 0.433 174 E N -0.145 120.068 120.200 0.022 0.000 2.208 174 E HA -0.097 4.253 4.350 0.000 0.000 0.193 174 E C 0.357 176.991 176.600 0.056 0.000 0.988 174 E CA 0.603 57.026 56.400 0.039 0.000 0.828 174 E CB -0.082 29.631 29.700 0.021 0.000 0.763 174 E HN 0.237 nan 8.360 nan 0.000 0.478 175 N N -0.166 118.563 118.700 0.048 0.000 2.727 175 N HA 0.150 4.890 4.740 0.000 0.000 0.252 175 N C -2.421 173.124 175.510 0.059 0.000 1.283 175 N CA -1.871 51.220 53.050 0.068 0.000 0.782 175 N CB 1.271 39.816 38.487 0.096 0.000 1.199 175 N HN -0.286 nan 8.380 nan 0.000 0.520 176 P HA -0.067 nan 4.420 nan 0.000 0.220 176 P C 0.423 177.644 177.300 -0.132 0.000 1.144 176 P CA 1.008 64.109 63.100 0.001 0.000 0.800 176 P CB 0.181 31.924 31.700 0.073 0.000 0.772 177 c N -2.803 115.739 118.600 -0.096 0.000 2.509 177 c HA 0.095 4.665 4.570 0.000 0.000 0.301 177 c C 2.167 176.204 174.090 -0.088 0.000 1.317 177 c CA -0.592 55.634 56.329 -0.173 0.000 1.667 177 c CB -2.668 39.756 42.510 -0.143 0.000 1.717 177 c HN 0.248 nan 8.230 nan 0.000 0.595 178 Y N 3.538 123.748 120.300 -0.151 0.000 2.081 178 Y HA -0.281 4.269 4.550 0.000 0.000 0.280 178 Y C 2.028 177.859 175.900 -0.115 0.000 1.163 178 Y CA 2.554 60.591 58.100 -0.106 0.000 1.135 178 Y CB -0.353 38.058 38.460 -0.082 0.000 0.970 178 Y HN 0.552 nan 8.280 nan 0.000 0.498 179 D N -0.877 119.460 120.400 -0.106 0.000 2.350 179 D HA -0.188 4.452 4.640 0.000 0.000 0.216 179 D C 1.354 177.537 176.300 -0.195 0.000 0.968 179 D CA 1.353 55.250 54.000 -0.171 0.000 0.894 179 D CB -0.556 40.186 40.800 -0.097 0.000 0.909 179 D HN 0.462 nan 8.370 nan 0.000 0.520 180 M N -0.335 119.146 119.600 -0.199 0.000 2.431 180 M HA 0.192 4.672 4.480 0.000 0.000 0.237 180 M C 0.014 176.230 176.300 -0.141 0.000 1.130 180 M CA -0.070 55.137 55.300 -0.155 0.000 1.002 180 M CB 0.074 32.578 32.600 -0.161 0.000 1.524 180 M HN -0.138 nan 8.290 nan 0.000 0.482 181 K N 1.324 121.603 120.400 -0.202 0.000 3.069 181 K HA -0.170 4.150 4.320 0.000 0.000 0.267 181 K C 0.095 176.632 176.600 -0.105 0.000 1.082 181 K CA 1.090 57.267 56.287 -0.183 0.000 0.782 181 K CB -2.270 30.143 32.500 -0.144 0.000 1.230 181 K HN 0.643 nan 8.250 nan 0.000 0.488 182 T N -4.112 110.391 114.554 -0.084 0.000 2.742 182 T HA 0.577 4.927 4.350 0.000 0.000 0.282 182 T C -0.234 174.462 174.700 -0.007 0.000 1.025 182 T CA -0.741 61.342 62.100 -0.027 0.000 1.020 182 T CB 2.514 71.385 68.868 0.005 0.000 1.317 182 T HN -0.045 nan 8.240 nan 0.000 0.538 183 T N 0.991 115.562 114.554 0.028 0.000 2.848 183 T HA 0.699 5.049 4.350 0.000 0.000 0.285 183 T C -0.162 174.579 174.700 0.070 0.000 0.995 183 T CA -0.659 61.469 62.100 0.047 0.000 0.970 183 T CB 0.301 69.199 68.868 0.049 0.000 0.976 183 T HN 1.186 nan 8.240 nan 0.000 0.441 184 c N 2.032 120.676 118.600 0.074 0.000 3.213 184 c HA 0.821 5.391 4.570 0.000 0.000 0.319 184 c C -0.235 173.920 174.090 0.108 0.000 1.386 184 c CA -1.417 54.976 56.329 0.107 0.000 1.494 184 c CB -0.178 42.419 42.510 0.144 0.000 1.905 184 c HN 0.871 nan 8.230 nan 0.000 0.456 185 L N 1.845 123.150 121.223 0.135 0.000 2.464 185 L HA 0.371 4.711 4.340 0.000 0.000 0.264 185 L C -1.944 175.033 176.870 0.179 0.000 1.199 185 L CA -1.147 53.786 54.840 0.155 0.000 0.818 185 L CB 0.359 42.535 42.059 0.195 0.000 1.102 185 L HN 0.481 nan 8.230 nan 0.000 0.473 186 P HA -0.040 nan 4.420 nan 0.000 0.266 186 P C -0.424 177.058 177.300 0.304 0.000 1.193 186 P CA 0.077 63.298 63.100 0.203 0.000 0.770 186 P CB 0.452 32.259 31.700 0.179 0.000 0.836 187 M N 3.930 123.670 119.600 0.233 0.000 2.240 187 M HA 0.451 4.932 4.480 0.000 0.000 0.333 187 M C -0.789 175.702 176.300 0.318 0.000 1.110 187 M CA 0.382 55.787 55.300 0.175 0.000 1.173 187 M CB -0.064 32.616 32.600 0.133 0.000 1.458 187 M HN 0.334 nan 8.290 nan 0.000 0.458 188 F N 0.776 120.838 119.950 0.187 0.000 2.693 188 F HA 0.670 5.197 4.527 0.000 0.000 0.309 188 F C 0.126 176.086 175.800 0.266 0.000 1.129 188 F CA -0.658 57.477 58.000 0.224 0.000 0.948 188 F CB 0.291 39.431 39.000 0.234 0.000 1.315 188 F HN 0.568 nan 8.300 nan 0.000 0.447 189 G N 0.445 109.527 108.800 0.470 0.000 2.605 189 G HA2 0.091 4.051 3.960 0.000 0.000 0.215 189 G HA3 0.091 4.051 3.960 0.000 0.000 0.215 189 G C -1.110 174.171 174.900 0.636 0.000 1.279 189 G CA 1.337 46.718 45.100 0.468 0.000 0.831 189 G HN 0.894 nan 8.290 nan 0.000 0.560 190 Y N 0.424 121.064 120.300 0.568 0.000 2.396 190 Y HA 0.646 5.196 4.550 0.000 0.000 0.332 190 Y C -1.044 175.075 175.900 0.365 0.000 1.034 190 Y CA -1.479 56.928 58.100 0.512 0.000 1.057 190 Y CB 1.412 40.087 38.460 0.359 0.000 1.220 190 Y HN 0.017 nan 8.280 nan 0.000 0.440 191 K N 4.812 125.046 120.400 -0.277 0.000 2.307 191 K HA 0.213 4.533 4.320 0.000 0.000 0.263 191 K C -1.425 174.716 176.600 -0.766 0.000 0.973 191 K CA -1.026 54.845 56.287 -0.694 0.000 0.846 191 K CB 0.902 32.931 32.500 -0.786 0.000 1.100 191 K HN 0.723 nan 8.250 nan 0.000 0.438 192 H N 2.466 121.034 119.070 -0.836 0.000 2.767 192 H HA 0.117 4.673 4.556 0.000 0.000 0.316 192 H C 0.209 175.325 175.328 -0.354 0.000 1.059 192 H CA -0.005 55.806 56.048 -0.396 0.000 1.461 192 H CB 0.616 30.265 29.762 -0.190 0.000 1.475 192 H HN 0.348 nan 8.280 nan 0.000 0.531 193 V N 4.556 123.962 119.914 -0.846 0.000 2.911 193 V HA 0.138 4.258 4.120 0.000 0.000 0.237 193 V C -0.204 175.346 176.094 -0.907 0.000 1.156 193 V CA 0.076 61.847 62.300 -0.882 0.000 1.180 193 V CB 0.077 31.262 31.823 -1.063 0.000 0.932 193 V HN 0.522 nan 8.190 nan 0.000 0.483 194 L N 0.714 121.350 121.223 -0.980 0.000 2.441 194 L HA 0.577 4.917 4.340 0.000 0.000 0.270 194 L C -0.097 176.710 176.870 -0.104 0.000 0.973 194 L CA 0.132 54.697 54.840 -0.457 0.000 0.842 194 L CB 1.630 43.565 42.059 -0.207 0.000 1.239 194 L HN 0.104 nan 8.230 nan 0.000 0.406 195 T N 4.797 119.371 114.554 0.033 0.000 2.932 195 T HA 0.263 4.613 4.350 0.000 0.000 0.312 195 T C 0.535 175.322 174.700 0.146 0.000 1.071 195 T CA -0.264 61.982 62.100 0.243 0.000 1.128 195 T CB 0.224 69.193 68.868 0.168 0.000 0.984 195 T HN 0.460 nan 8.240 nan 0.000 0.549 196 L N 2.844 124.116 121.223 0.081 0.000 2.700 196 L HA 0.113 4.453 4.340 0.000 0.000 0.276 196 L C 0.983 177.868 176.870 0.025 0.000 1.200 196 L CA 0.429 55.282 54.840 0.022 0.000 0.951 196 L CB -0.291 41.705 42.059 -0.104 0.000 1.226 196 L HN 0.685 nan 8.230 nan 0.000 0.489 197 T N 0.362 114.937 114.554 0.035 0.000 2.883 197 T HA 0.237 4.587 4.350 0.000 0.000 0.301 197 T C 0.351 175.053 174.700 0.003 0.000 1.158 197 T CA -0.704 61.414 62.100 0.030 0.000 1.007 197 T CB 1.476 70.380 68.868 0.060 0.000 1.186 197 T HN 0.692 nan 8.240 nan 0.000 0.499 198 D N 1.784 122.186 120.400 0.003 0.000 2.340 198 D HA -0.001 4.639 4.640 0.000 0.000 0.220 198 D C 0.383 176.680 176.300 -0.004 0.000 1.039 198 D CA 0.187 54.180 54.000 -0.012 0.000 0.866 198 D CB 0.017 40.813 40.800 -0.007 0.000 0.913 198 D HN 0.582 nan 8.370 nan 0.000 0.523 199 Q N 0.992 120.805 119.800 0.021 0.000 2.641 199 Q HA 0.162 4.502 4.340 0.000 0.000 0.225 199 Q C 0.985 177.023 176.000 0.063 0.000 1.309 199 Q CA -0.330 55.495 55.803 0.037 0.000 0.935 199 Q CB 1.359 30.126 28.738 0.048 0.000 1.557 199 Q HN 0.049 nan 8.270 nan 0.000 0.563 200 V N 1.342 121.274 119.914 0.031 0.000 2.358 200 V HA -0.247 3.873 4.120 0.000 0.000 0.246 200 V C 1.936 178.088 176.094 0.097 0.000 1.047 200 V CA 2.135 64.459 62.300 0.039 0.000 1.035 200 V CB -0.266 31.543 31.823 -0.022 0.000 0.658 200 V HN 0.708 nan 8.190 nan 0.000 0.452 201 T N -0.335 114.252 114.554 0.054 0.000 2.788 201 T HA -0.226 4.124 4.350 0.000 0.000 0.268 201 T C 2.011 176.742 174.700 0.052 0.000 1.044 201 T CA 1.749 63.873 62.100 0.041 0.000 1.139 201 T CB -0.222 68.657 68.868 0.019 0.000 0.867 201 T HN 0.434 nan 8.240 nan 0.000 0.454 202 R N 0.008 120.551 120.500 0.073 0.000 2.062 202 R HA -0.029 4.311 4.340 0.000 0.000 0.229 202 R C 2.251 178.611 176.300 0.100 0.000 1.128 202 R CA 1.148 57.290 56.100 0.070 0.000 0.960 202 R CB -0.526 29.817 30.300 0.072 0.000 0.855 202 R HN 0.408 nan 8.270 nan 0.000 0.432 203 F N 2.294 122.253 119.950 0.016 0.000 2.120 203 F HA -0.278 4.249 4.527 0.000 0.000 0.300 203 F C 1.679 177.440 175.800 -0.065 0.000 1.095 203 F CA 1.956 59.975 58.000 0.032 0.000 1.249 203 F CB -0.298 38.713 39.000 0.018 0.000 0.995 203 F HN 0.119 nan 8.300 nan 0.000 0.480 204 N N 0.674 119.395 118.700 0.034 0.000 2.188 204 N HA -0.153 4.587 4.740 0.000 0.000 0.184 204 N C 1.739 177.130 175.510 -0.199 0.000 1.018 204 N CA 1.609 54.585 53.050 -0.123 0.000 0.858 204 N CB -0.466 38.017 38.487 -0.006 0.000 0.989 204 N HN 0.538 nan 8.380 nan 0.000 0.426 205 E N 0.711 120.842 120.200 -0.114 0.000 2.051 205 E HA -0.121 4.229 4.350 0.000 0.000 0.192 205 E C 1.582 178.103 176.600 -0.132 0.000 0.991 205 E CA 0.776 57.117 56.400 -0.098 0.000 0.799 205 E CB 0.072 29.746 29.700 -0.043 0.000 0.748 205 E HN 0.301 nan 8.360 nan 0.000 0.449 206 E N 0.424 120.543 120.200 -0.136 0.000 2.106 206 E HA -0.131 4.219 4.350 0.000 0.000 0.192 206 E C 2.320 178.754 176.600 -0.276 0.000 0.984 206 E CA 0.647 56.997 56.400 -0.084 0.000 0.806 206 E CB -0.191 29.587 29.700 0.130 0.000 0.750 206 E HN 0.128 nan 8.360 nan 0.000 0.458 207 V N 1.598 121.113 119.914 -0.666 0.000 2.407 207 V HA -0.235 3.885 4.120 0.000 0.000 0.248 207 V C 2.163 178.001 176.094 -0.426 0.000 1.055 207 V CA 1.701 63.492 62.300 -0.847 0.000 1.049 207 V CB -0.367 30.846 31.823 -1.018 0.000 0.662 207 V HN 0.206 nan 8.190 nan 0.000 0.455 208 K N -0.269 119.948 120.400 -0.304 0.000 2.366 208 K HA -0.057 4.263 4.320 0.000 0.000 0.198 208 K C 2.046 178.573 176.600 -0.123 0.000 1.044 208 K CA 0.643 56.814 56.287 -0.193 0.000 0.973 208 K CB -0.071 32.337 32.500 -0.154 0.000 0.767 208 K HN 0.424 nan 8.250 nan 0.000 0.475 209 K N 0.551 120.884 120.400 -0.112 0.000 2.296 209 K HA -0.009 4.311 4.320 0.000 0.000 0.200 209 K C 0.359 176.936 176.600 -0.039 0.000 1.048 209 K CA 0.444 56.697 56.287 -0.056 0.000 0.966 209 K CB 0.233 32.712 32.500 -0.036 0.000 0.754 209 K HN 0.061 nan 8.250 nan 0.000 0.466 210 Q N 1.320 121.083 119.800 -0.062 0.000 2.330 210 Q HA 0.038 4.378 4.340 0.000 0.000 0.279 210 Q C 0.133 176.126 176.000 -0.012 0.000 1.024 210 Q CA 0.334 56.124 55.803 -0.023 0.000 0.900 210 Q CB 1.341 30.051 28.738 -0.047 0.000 1.221 210 Q HN 0.181 nan 8.270 nan 0.000 0.396 211 S N -0.403 115.313 115.700 0.027 0.000 2.667 211 S HA 0.740 5.210 4.470 0.000 0.000 0.292 211 S C -0.001 174.639 174.600 0.067 0.000 1.126 211 S CA -0.848 57.374 58.200 0.037 0.000 0.881 211 S CB 1.214 64.443 63.200 0.048 0.000 1.132 211 S HN 0.432 nan 8.310 nan 0.000 0.492 212 V N -0.818 119.136 119.914 0.065 0.000 3.036 212 V HA 0.822 4.942 4.120 0.000 0.000 0.308 212 V C 0.454 176.640 176.094 0.154 0.000 1.070 212 V CA -0.250 62.100 62.300 0.083 0.000 1.056 212 V CB 1.023 32.869 31.823 0.039 0.000 1.084 212 V HN 1.052 nan 8.190 nan 0.000 0.471 213 S N 0.998 116.788 115.700 0.151 0.000 2.841 213 S HA 0.738 5.208 4.470 0.000 0.000 0.274 213 S C -0.351 174.367 174.600 0.196 0.000 1.044 213 S CA -0.930 57.367 58.200 0.162 0.000 0.952 213 S CB 1.357 64.624 63.200 0.110 0.000 1.331 213 S HN 1.094 nan 8.310 nan 0.000 0.610 214 R N 0.636 121.221 120.500 0.142 0.000 2.561 214 R HA 0.367 4.707 4.340 0.000 0.000 0.266 214 R C -1.679 174.746 176.300 0.208 0.000 1.091 214 R CA -0.328 55.867 56.100 0.158 0.000 0.927 214 R CB 0.894 31.185 30.300 -0.016 0.000 1.240 214 R HN 0.985 nan 8.270 nan 0.000 0.449 215 N N 0.747 119.587 118.700 0.234 0.000 3.102 215 N HA 0.360 5.100 4.740 0.000 0.000 0.299 215 N C 0.045 175.675 175.510 0.199 0.000 1.482 215 N CA -1.039 52.144 53.050 0.220 0.000 0.785 215 N CB 1.783 40.356 38.487 0.143 0.000 1.680 215 N HN 0.486 nan 8.380 nan 0.000 0.594 216 R N -0.727 119.754 120.500 -0.032 0.000 2.087 216 R HA 0.026 4.366 4.340 0.000 0.000 0.216 216 R C -0.550 175.779 176.300 0.048 0.000 1.114 216 R CA 0.877 56.899 56.100 -0.130 0.000 1.002 216 R CB -0.229 29.810 30.300 -0.435 0.000 0.903 216 R HN 0.837 nan 8.270 nan 0.000 0.445 217 D N -0.519 119.943 120.400 0.104 0.000 2.175 217 D HA 0.151 4.792 4.640 0.000 0.000 0.248 217 D C 0.472 176.815 176.300 0.071 0.000 1.047 217 D CA 0.045 54.117 54.000 0.120 0.000 0.883 217 D CB 1.777 42.710 40.800 0.222 0.000 1.180 217 D HN 0.156 nan 8.370 nan 0.000 0.438 218 A N 2.752 125.590 122.820 0.031 0.000 1.892 218 A HA -0.005 4.315 4.320 0.000 0.000 0.218 218 A C -1.379 176.158 177.584 -0.078 0.000 1.188 218 A CA 0.864 52.900 52.037 -0.002 0.000 0.631 218 A CB -1.768 17.230 19.000 -0.004 0.000 0.822 218 A HN 0.588 nan 8.150 nan 0.000 0.447 219 P HA 0.268 nan 4.420 nan 0.000 0.271 219 P C -0.203 176.791 177.300 -0.511 0.000 1.216 219 P CA 0.166 62.978 63.100 -0.479 0.000 0.771 219 P CB 0.744 31.931 31.700 -0.856 0.000 0.864 220 E N 1.221 121.259 120.200 -0.270 0.000 2.303 220 E HA 0.433 4.783 4.350 0.000 0.000 0.254 220 E C 0.911 177.533 176.600 0.037 0.000 0.979 220 E CA -0.873 55.536 56.400 0.015 0.000 0.843 220 E CB 0.787 30.636 29.700 0.248 0.000 1.245 220 E HN 0.434 nan 8.360 nan 0.000 0.413 221 G N -0.254 108.688 108.800 0.237 0.000 3.678 221 G HA2 0.204 4.164 3.960 0.000 0.000 0.287 221 G HA3 0.204 4.164 3.960 0.000 0.000 0.287 221 G C 0.917 175.852 174.900 0.057 0.000 1.280 221 G CA 0.200 45.463 45.100 0.272 0.000 1.118 221 G HN 0.451 nan 8.290 nan 0.000 0.563 222 G N 0.497 109.152 108.800 -0.242 0.000 2.443 222 G HA2 -0.141 3.819 3.960 0.000 0.000 0.219 222 G HA3 -0.141 3.819 3.960 0.000 0.000 0.219 222 G C 1.308 176.155 174.900 -0.089 0.000 1.131 222 G CA 0.362 44.990 45.100 -0.787 0.000 0.775 222 G HN 0.349 nan 8.290 nan 0.000 0.547 223 F N 1.578 121.389 119.950 -0.231 0.000 2.293 223 F HA 0.058 4.585 4.527 0.000 0.000 0.300 223 F C 2.191 177.898 175.800 -0.155 0.000 1.086 223 F CA 0.157 58.031 58.000 -0.211 0.000 1.375 223 F CB -0.378 38.529 39.000 -0.155 0.000 1.045 223 F HN 0.094 nan 8.300 nan 0.000 0.516 224 D N 0.097 120.565 120.400 0.114 0.000 2.097 224 D HA -0.150 4.490 4.640 0.000 0.000 0.195 224 D C 2.406 178.509 176.300 -0.329 0.000 0.989 224 D CA 1.518 55.467 54.000 -0.084 0.000 0.827 224 D CB -0.505 40.337 40.800 0.070 0.000 0.966 224 D HN 0.188 nan 8.370 nan 0.000 0.456 225 A N 0.648 123.299 122.820 -0.282 0.000 1.902 225 A HA -0.150 4.170 4.320 0.000 0.000 0.217 225 A C 2.415 179.735 177.584 -0.440 0.000 1.181 225 A CA 0.955 52.652 52.037 -0.565 0.000 0.623 225 A CB -0.736 18.149 19.000 -0.192 0.000 0.818 225 A HN 0.211 nan 8.150 nan 0.000 0.443 226 I N -1.391 119.040 120.570 -0.230 0.000 2.179 226 I HA -0.292 3.878 4.170 0.000 0.000 0.242 226 I C 2.668 178.643 176.117 -0.237 0.000 1.088 226 I CA 1.957 63.135 61.300 -0.203 0.000 1.357 226 I CB -0.261 37.538 38.000 -0.335 0.000 1.051 226 I HN 0.438 nan 8.210 nan 0.000 0.409 227 M N 0.504 119.948 119.600 -0.260 0.000 2.086 227 M HA -0.230 4.250 4.480 0.000 0.000 0.261 227 M C 2.231 178.389 176.300 -0.236 0.000 1.067 227 M CA 1.891 57.055 55.300 -0.227 0.000 1.116 227 M CB -0.504 31.982 32.600 -0.190 0.000 1.348 227 M HN 0.083 nan 8.290 nan 0.000 0.407 228 Q N -0.200 119.395 119.800 -0.341 0.000 2.119 228 Q HA 0.050 4.390 4.340 0.000 0.000 0.201 228 Q C 2.220 178.095 176.000 -0.208 0.000 0.972 228 Q CA 1.758 57.390 55.803 -0.284 0.000 0.847 228 Q CB -0.949 27.580 28.738 -0.348 0.000 0.903 228 Q HN 0.690 nan 8.270 nan 0.000 0.433 229 A N 0.320 122.977 122.820 -0.273 0.000 2.067 229 A HA -0.113 4.207 4.320 0.000 0.000 0.219 229 A C 2.174 179.792 177.584 0.057 0.000 1.158 229 A CA 1.725 53.682 52.037 -0.133 0.000 0.661 229 A CB -0.406 18.597 19.000 0.006 0.000 0.801 229 A HN 0.348 nan 8.150 nan 0.000 0.452 230 T N -0.661 113.864 114.554 -0.047 0.000 2.852 230 T HA -0.025 4.325 4.350 0.000 0.000 0.256 230 T C 1.882 176.522 174.700 -0.099 0.000 1.038 230 T CA 1.693 63.728 62.100 -0.109 0.000 1.141 230 T CB -0.362 68.396 68.868 -0.183 0.000 0.869 230 T HN 0.595 nan 8.240 nan 0.000 0.439 231 V N -1.202 118.654 119.914 -0.096 0.000 3.354 231 V HA 0.250 4.370 4.120 0.000 0.000 0.258 231 V C 1.034 177.090 176.094 -0.064 0.000 1.159 231 V CA -0.256 61.989 62.300 -0.091 0.000 1.125 231 V CB -1.061 30.699 31.823 -0.105 0.000 0.774 231 V HN 0.349 nan 8.190 nan 0.000 0.464 232 c N 2.854 121.424 118.600 -0.051 0.000 2.262 232 c HA 0.337 4.907 4.570 0.000 0.000 0.413 232 c C 1.522 175.586 174.090 -0.043 0.000 1.019 232 c CA -0.455 55.840 56.329 -0.056 0.000 1.320 232 c CB -1.698 40.773 42.510 -0.066 0.000 1.657 232 c HN 0.542 nan 8.230 nan 0.000 0.510 233 D N 1.152 121.549 120.400 -0.006 0.000 2.087 233 D HA -0.162 4.478 4.640 0.000 0.000 0.192 233 D C 2.015 178.302 176.300 -0.023 0.000 0.993 233 D CA 1.343 55.371 54.000 0.047 0.000 0.828 233 D CB -0.134 40.681 40.800 0.024 0.000 0.968 233 D HN 0.706 nan 8.370 nan 0.000 0.448 234 E N 0.194 120.369 120.200 -0.041 0.000 2.150 234 E HA -0.166 4.184 4.350 0.000 0.000 0.193 234 E C 1.701 178.241 176.600 -0.099 0.000 0.985 234 E CA 0.769 57.138 56.400 -0.052 0.000 0.814 234 E CB 0.268 29.951 29.700 -0.029 0.000 0.752 234 E HN -0.006 nan 8.360 nan 0.000 0.466 235 K N 0.514 120.824 120.400 -0.149 0.000 2.025 235 K HA -0.101 4.219 4.320 0.000 0.000 0.207 235 K C 2.100 178.433 176.600 -0.445 0.000 1.049 235 K CA 0.781 56.918 56.287 -0.251 0.000 0.933 235 K CB -0.206 32.121 32.500 -0.289 0.000 0.714 235 K HN 0.255 nan 8.250 nan 0.000 0.438 236 I N -0.301 119.948 120.570 -0.535 0.000 2.406 236 I HA -0.038 4.132 4.170 0.000 0.000 0.249 236 I C 1.266 177.057 176.117 -0.543 0.000 1.122 236 I CA 1.299 62.164 61.300 -0.726 0.000 1.431 236 I CB -1.209 36.144 38.000 -1.078 0.000 1.087 236 I HN 0.410 nan 8.210 nan 0.000 0.424 237 G N 0.461 109.018 108.800 -0.405 0.000 2.164 237 G HA2 -0.233 3.728 3.960 0.000 0.000 0.212 237 G HA3 -0.233 3.728 3.960 0.000 0.000 0.212 237 G C -0.358 174.438 174.900 -0.174 0.000 1.031 237 G CA -0.447 44.525 45.100 -0.213 0.000 0.730 237 G HN 0.279 nan 8.290 nan 0.000 0.501 238 W N 0.530 121.754 121.300 -0.127 0.000 2.223 238 W HA 0.523 5.183 4.660 0.000 0.000 0.334 238 W C 1.279 177.767 176.519 -0.051 0.000 1.334 238 W CA -0.477 56.764 57.345 -0.173 0.000 1.246 238 W CB 0.436 29.596 29.460 -0.501 0.000 1.184 238 W HN 0.184 nan 8.180 nan 0.000 0.563 239 R N 2.304 123.012 120.500 0.347 0.000 2.500 239 R HA 0.127 4.467 4.340 0.000 0.000 0.275 239 R C 1.012 177.517 176.300 0.343 0.000 1.051 239 R CA -0.838 55.423 56.100 0.269 0.000 1.088 239 R CB 0.636 31.060 30.300 0.206 0.000 1.063 239 R HN 0.469 nan 8.270 nan 0.000 0.511 240 N N 1.061 119.874 118.700 0.189 0.000 2.039 240 N HA -0.118 4.622 4.740 0.000 0.000 0.193 240 N C -0.176 175.398 175.510 0.106 0.000 1.044 240 N CA 1.382 54.520 53.050 0.147 0.000 0.847 240 N CB 0.073 38.608 38.487 0.080 0.000 1.030 240 N HN 0.487 nan 8.380 nan 0.000 0.422 241 D N 0.470 120.908 120.400 0.064 0.000 2.943 241 D HA 0.475 5.115 4.640 0.000 0.000 0.249 241 D C -0.712 175.581 176.300 -0.013 0.000 1.231 241 D CA 0.052 54.055 54.000 0.005 0.000 0.979 241 D CB -0.013 40.792 40.800 0.008 0.000 1.053 241 D HN 0.204 nan 8.370 nan 0.000 0.504 242 A N -0.205 122.576 122.820 -0.064 0.000 2.572 242 A HA 0.578 4.898 4.320 0.000 0.000 0.295 242 A C -0.291 177.066 177.584 -0.378 0.000 1.072 242 A CA -0.697 51.287 52.037 -0.088 0.000 0.691 242 A CB 1.774 20.830 19.000 0.095 0.000 1.291 242 A HN 0.043 nan 8.150 nan 0.000 0.404 243 S N 0.098 115.675 115.700 -0.205 0.000 2.505 243 S HA 0.383 4.853 4.470 0.000 0.000 0.276 243 S C -0.552 173.989 174.600 -0.098 0.000 1.274 243 S CA -0.074 57.991 58.200 -0.224 0.000 1.053 243 S CB -0.352 62.808 63.200 -0.067 0.000 0.919 243 S HN 0.601 nan 8.310 nan 0.000 0.490 244 H N 4.200 123.284 119.070 0.023 0.000 2.541 244 H HA 0.463 5.019 4.556 0.000 0.000 0.316 244 H C -0.607 174.723 175.328 0.002 0.000 1.043 244 H CA -0.692 55.368 56.048 0.019 0.000 1.232 244 H CB 0.752 30.271 29.762 -0.405 0.000 1.406 244 H HN 0.362 nan 8.280 nan 0.000 0.469 245 L N 4.136 125.557 121.223 0.331 0.000 2.333 245 L HA 0.301 4.641 4.340 0.000 0.000 0.280 245 L C -0.935 176.169 176.870 0.390 0.000 1.004 245 L CA -0.942 54.044 54.840 0.243 0.000 0.820 245 L CB 1.776 43.955 42.059 0.201 0.000 1.247 245 L HN 0.391 nan 8.230 nan 0.000 0.416 246 L N 5.024 126.409 121.223 0.270 0.000 2.301 246 L HA 0.464 4.804 4.340 0.000 0.000 0.278 246 L C -0.603 176.424 176.870 0.262 0.000 1.022 246 L CA -0.270 54.788 54.840 0.363 0.000 0.854 246 L CB 1.450 43.661 42.059 0.254 0.000 1.226 246 L HN 0.254 nan 8.230 nan 0.000 0.429 247 V N 5.526 125.642 119.914 0.336 0.000 2.406 247 V HA 0.298 4.418 4.120 0.000 0.000 0.272 247 V C -0.317 175.969 176.094 0.319 0.000 1.043 247 V CA -0.281 62.210 62.300 0.318 0.000 0.915 247 V CB 0.879 32.946 31.823 0.406 0.000 0.988 247 V HN 0.608 nan 8.190 nan 0.000 0.466 248 F N 5.141 125.160 119.950 0.115 0.000 2.449 248 F HA 0.641 5.168 4.527 0.000 0.000 0.342 248 F C 0.447 176.320 175.800 0.121 0.000 1.127 248 F CA -0.319 57.758 58.000 0.129 0.000 0.975 248 F CB 1.596 40.693 39.000 0.162 0.000 1.146 248 F HN 0.588 nan 8.300 nan 0.000 0.444 249 T N 2.217 116.488 114.554 -0.471 0.000 2.859 249 T HA 0.753 5.103 4.350 0.000 0.000 0.281 249 T C -0.395 174.013 174.700 -0.488 0.000 1.005 249 T CA -0.575 61.306 62.100 -0.365 0.000 1.025 249 T CB 1.768 70.443 68.868 -0.321 0.000 0.977 249 T HN 0.813 nan 8.240 nan 0.000 0.458 250 T N 0.573 114.976 114.554 -0.251 0.000 2.831 250 T HA 0.332 4.682 4.350 0.000 0.000 0.333 250 T C -1.352 173.323 174.700 -0.043 0.000 1.684 250 T CA -0.369 61.653 62.100 -0.131 0.000 1.049 250 T CB 1.478 70.359 68.868 0.021 0.000 1.518 250 T HN 0.831 nan 8.240 nan 0.000 0.491 251 D N 0.900 121.301 120.400 0.002 0.000 2.479 251 D HA 0.538 5.178 4.640 0.000 0.000 0.218 251 D C 0.290 176.638 176.300 0.080 0.000 1.177 251 D CA -0.073 53.948 54.000 0.034 0.000 0.830 251 D CB 0.498 41.302 40.800 0.007 0.000 1.014 251 D HN 0.696 nan 8.370 nan 0.000 0.503 252 A N -0.019 122.880 122.820 0.131 0.000 2.567 252 A HA 0.539 4.859 4.320 0.000 0.000 0.289 252 A C -0.348 177.356 177.584 0.199 0.000 1.177 252 A CA -0.897 51.217 52.037 0.127 0.000 0.694 252 A CB 1.359 20.399 19.000 0.068 0.000 1.292 252 A HN -0.041 nan 8.150 nan 0.000 0.425 253 K N -0.354 120.085 120.400 0.065 0.000 2.229 253 K HA 0.375 4.695 4.320 0.000 0.000 0.250 253 K C -0.106 176.445 176.600 -0.080 0.000 1.016 253 K CA 0.560 56.827 56.287 -0.034 0.000 0.866 253 K CB 0.242 32.667 32.500 -0.125 0.000 1.028 253 K HN 0.639 nan 8.250 nan 0.000 0.514 254 T N 0.104 114.494 114.554 -0.273 0.000 2.900 254 T HA 0.183 4.533 4.350 0.000 0.000 0.295 254 T C -0.973 173.303 174.700 -0.707 0.000 1.044 254 T CA -0.840 60.961 62.100 -0.499 0.000 0.995 254 T CB 0.671 69.084 68.868 -0.758 0.000 1.072 254 T HN 0.383 nan 8.240 nan 0.000 0.473 255 H N 3.079 121.723 119.070 -0.711 0.000 2.690 255 H HA 0.515 5.071 4.556 0.000 0.000 0.365 255 H C 0.449 175.243 175.328 -0.890 0.000 1.142 255 H CA 0.112 55.617 56.048 -0.904 0.000 1.417 255 H CB 0.656 29.428 29.762 -1.651 0.000 1.446 255 H HN 0.657 nan 8.280 nan 0.000 0.599 256 I N -1.388 118.941 120.570 -0.403 0.000 3.145 256 I HA 0.643 4.813 4.170 0.000 0.000 0.313 256 I C -0.024 176.123 176.117 0.051 0.000 1.122 256 I CA -1.621 59.583 61.300 -0.160 0.000 0.987 256 I CB 1.676 39.599 38.000 -0.128 0.000 1.236 256 I HN 0.475 nan 8.210 nan 0.000 0.453 257 A N 3.324 126.228 122.820 0.140 0.000 2.565 257 A HA 0.369 4.690 4.320 0.000 0.000 0.237 257 A C 0.864 178.526 177.584 0.130 0.000 1.053 257 A CA 0.547 52.685 52.037 0.168 0.000 0.755 257 A CB -0.415 18.660 19.000 0.124 0.000 0.980 257 A HN 1.139 nan 8.150 nan 0.000 0.506 258 L N -0.137 121.172 121.223 0.143 0.000 4.383 258 L HA -0.257 4.083 4.340 0.000 0.000 0.402 258 L C 0.830 177.776 176.870 0.127 0.000 0.803 258 L CA 0.967 55.873 54.840 0.110 0.000 2.175 258 L CB -1.621 40.483 42.059 0.076 0.000 1.434 258 L HN 0.707 nan 8.230 nan 0.000 0.591 259 D N 0.780 121.283 120.400 0.173 0.000 2.178 259 D HA -0.027 4.613 4.640 0.000 0.000 0.202 259 D C 1.996 178.443 176.300 0.245 0.000 0.974 259 D CA 1.469 55.575 54.000 0.176 0.000 0.841 259 D CB -0.176 40.678 40.800 0.090 0.000 0.953 259 D HN 0.545 nan 8.370 nan 0.000 0.478 260 G N 0.597 109.574 108.800 0.295 0.000 2.499 260 G HA2 -0.333 3.627 3.960 0.000 0.000 0.221 260 G HA3 -0.333 3.627 3.960 0.000 0.000 0.221 260 G C 1.626 176.589 174.900 0.106 0.000 1.109 260 G CA 0.501 45.712 45.100 0.186 0.000 0.749 260 G HN 0.245 nan 8.290 nan 0.000 0.568 261 R N -0.630 119.922 120.500 0.086 0.000 2.159 261 R HA 0.017 4.357 4.340 0.000 0.000 0.237 261 R C 2.054 178.362 176.300 0.014 0.000 1.131 261 R CA 0.655 56.778 56.100 0.040 0.000 0.982 261 R CB -0.224 30.099 30.300 0.039 0.000 0.868 261 R HN 0.352 nan 8.270 nan 0.000 0.453 262 L N -0.363 120.877 121.223 0.028 0.000 2.376 262 L HA -0.004 4.336 4.340 0.000 0.000 0.219 262 L C 1.758 178.523 176.870 -0.175 0.000 1.133 262 L CA 1.283 56.096 54.840 -0.045 0.000 0.816 262 L CB 0.002 42.055 42.059 -0.009 0.000 0.933 262 L HN 0.166 nan 8.230 nan 0.000 0.449 263 A N -1.338 121.385 122.820 -0.162 0.000 2.423 263 A HA 0.519 4.839 4.320 0.000 0.000 0.246 263 A C 1.674 179.199 177.584 -0.099 0.000 1.278 263 A CA 0.433 52.339 52.037 -0.219 0.000 0.903 263 A CB -0.405 18.479 19.000 -0.193 0.000 0.997 263 A HN 0.397 nan 8.150 nan 0.000 0.510 264 G N -0.363 108.400 108.800 -0.063 0.000 2.162 264 G HA2 -0.240 3.720 3.960 0.000 0.000 0.260 264 G HA3 -0.240 3.720 3.960 0.000 0.000 0.260 264 G C 0.095 174.978 174.900 -0.028 0.000 0.976 264 G CA 0.433 45.509 45.100 -0.041 0.000 0.655 264 G HN 0.516 nan 8.290 nan 0.000 0.533 265 I N 1.327 121.885 120.570 -0.020 0.000 2.312 265 I HA 0.358 4.528 4.170 0.000 0.000 0.291 265 I C 1.599 177.712 176.117 -0.006 0.000 1.031 265 I CA -0.214 61.072 61.300 -0.023 0.000 1.293 265 I CB 1.417 39.392 38.000 -0.041 0.000 1.403 265 I HN 0.104 nan 8.210 nan 0.000 0.484 266 V N 1.648 121.558 119.914 -0.008 0.000 3.572 266 V HA 0.143 4.263 4.120 0.000 0.000 0.260 266 V C 0.880 176.977 176.094 0.006 0.000 1.324 266 V CA -0.111 62.192 62.300 0.005 0.000 1.068 266 V CB -0.241 31.584 31.823 0.004 0.000 0.837 266 V HN 0.782 nan 8.190 nan 0.000 0.450 267 Q N 2.629 122.426 119.800 -0.005 0.000 2.247 267 Q HA 0.190 4.530 4.340 0.000 0.000 0.288 267 Q C -2.315 173.692 176.000 0.012 0.000 1.079 267 Q CA -1.353 54.449 55.803 -0.001 0.000 0.932 267 Q CB 0.842 29.570 28.738 -0.016 0.000 1.133 267 Q HN 0.381 nan 8.270 nan 0.000 0.377 268 P HA -0.035 nan 4.420 nan 0.000 0.272 268 P C -0.660 176.670 177.300 0.049 0.000 1.230 268 P CA -0.311 62.812 63.100 0.038 0.000 0.788 268 P CB 0.469 32.191 31.700 0.037 0.000 0.949 269 N N 2.255 120.994 118.700 0.066 0.000 2.440 269 N HA -0.067 4.673 4.740 0.000 0.000 0.265 269 N C 0.499 176.060 175.510 0.084 0.000 1.239 269 N CA 0.181 53.285 53.050 0.090 0.000 0.909 269 N CB 0.381 38.924 38.487 0.093 0.000 1.066 269 N HN 0.391 nan 8.380 nan 0.000 0.474 270 D N 2.639 123.110 120.400 0.119 0.000 2.349 270 D HA 0.034 4.674 4.640 0.000 0.000 0.224 270 D C 1.104 177.451 176.300 0.078 0.000 1.029 270 D CA 0.554 54.618 54.000 0.108 0.000 0.879 270 D CB -0.402 40.493 40.800 0.158 0.000 0.906 270 D HN 0.701 nan 8.370 nan 0.000 0.528 271 G N 0.067 108.907 108.800 0.068 0.000 2.179 271 G HA2 -0.318 3.642 3.960 0.000 0.000 0.257 271 G HA3 -0.318 3.642 3.960 0.000 0.000 0.257 271 G C -0.080 174.804 174.900 -0.026 0.000 1.010 271 G CA 0.443 45.548 45.100 0.009 0.000 0.736 271 G HN 0.514 nan 8.290 nan 0.000 0.513 272 Q N -1.481 118.300 119.800 -0.032 0.000 2.351 272 Q HA 0.555 4.895 4.340 0.000 0.000 0.273 272 Q C 0.248 176.032 176.000 -0.359 0.000 1.077 272 Q CA -0.769 54.928 55.803 -0.177 0.000 0.843 272 Q CB 2.281 30.908 28.738 -0.186 0.000 1.367 272 Q HN 0.405 nan 8.270 nan 0.000 0.449 273 c N 2.292 120.694 118.600 -0.330 0.000 2.629 273 c HA 0.148 4.718 4.570 0.000 0.000 0.410 273 c C 0.103 173.955 174.090 -0.396 0.000 1.339 273 c CA 0.061 56.241 56.329 -0.248 0.000 1.810 273 c CB -0.873 41.565 42.510 -0.120 0.000 2.549 273 c HN 0.756 nan 8.230 nan 0.000 0.589 274 H N 3.916 123.111 119.070 0.209 0.000 2.637 274 H HA 0.238 4.794 4.556 0.000 0.000 0.245 274 H C -0.489 175.007 175.328 0.280 0.000 1.190 274 H CA -0.038 56.153 56.048 0.238 0.000 0.934 274 H CB 0.283 30.212 29.762 0.279 0.000 1.950 274 H HN 0.460 nan 8.280 nan 0.000 0.614 275 V N 1.481 121.566 119.914 0.286 0.000 2.277 275 V HA 0.379 4.499 4.120 0.000 0.000 0.269 275 V C 1.150 177.332 176.094 0.147 0.000 1.036 275 V CA -0.449 62.000 62.300 0.248 0.000 0.821 275 V CB 1.036 33.001 31.823 0.237 0.000 1.052 275 V HN 0.490 nan 8.190 nan 0.000 0.462 276 G N 3.262 112.147 108.800 0.142 0.000 2.735 276 G HA2 0.197 4.157 3.960 0.000 0.000 0.192 276 G HA3 0.197 4.157 3.960 0.000 0.000 0.192 276 G C 1.313 176.262 174.900 0.081 0.000 1.547 276 G CA 0.506 45.664 45.100 0.096 0.000 1.080 276 G HN 0.699 nan 8.290 nan 0.000 0.569 277 S N 0.122 115.861 115.700 0.064 0.000 2.406 277 S HA -0.115 4.355 4.470 0.000 0.000 0.228 277 S C 1.534 176.171 174.600 0.061 0.000 1.020 277 S CA 1.643 59.874 58.200 0.052 0.000 0.965 277 S CB -0.171 63.050 63.200 0.036 0.000 0.798 277 S HN 0.642 nan 8.310 nan 0.000 0.488 278 D N 1.172 121.621 120.400 0.080 0.000 2.328 278 D HA 0.021 4.661 4.640 0.000 0.000 0.226 278 D C -0.007 176.413 176.300 0.202 0.000 1.066 278 D CA 0.067 54.135 54.000 0.113 0.000 0.861 278 D CB -0.844 40.003 40.800 0.079 0.000 0.912 278 D HN 0.235 nan 8.370 nan 0.000 0.521 279 N N -0.338 118.442 118.700 0.133 0.000 2.828 279 N HA -0.192 4.548 4.740 0.000 0.000 0.248 279 N C -0.998 174.479 175.510 -0.055 0.000 1.044 279 N CA 0.776 53.856 53.050 0.052 0.000 0.851 279 N CB -2.058 36.404 38.487 -0.041 0.000 1.136 279 N HN 0.534 nan 8.380 nan 0.000 0.572 280 H N -0.841 118.240 119.070 0.018 0.000 2.479 280 H HA 0.354 4.910 4.556 0.000 0.000 0.335 280 H C -0.162 175.295 175.328 0.214 0.000 1.142 280 H CA -0.541 55.549 56.048 0.070 0.000 1.234 280 H CB 0.496 30.296 29.762 0.064 0.000 1.503 280 H HN 0.087 nan 8.280 nan 0.000 0.510 281 Y N 2.359 122.830 120.300 0.285 0.000 2.674 281 Y HA 0.033 4.583 4.550 0.000 0.000 0.354 281 Y C 1.216 177.260 175.900 0.239 0.000 1.089 281 Y CA -0.639 57.652 58.100 0.318 0.000 1.444 281 Y CB 0.118 38.826 38.460 0.414 0.000 1.187 281 Y HN 0.713 nan 8.280 nan 0.000 0.523 282 S N 3.553 119.283 115.700 0.049 0.000 2.453 282 S HA -0.053 4.417 4.470 0.000 0.000 0.231 282 S C 1.751 176.149 174.600 -0.337 0.000 1.005 282 S CA 0.515 58.661 58.200 -0.088 0.000 0.949 282 S CB -0.273 62.933 63.200 0.010 0.000 0.774 282 S HN 0.711 nan 8.310 nan 0.000 0.510 283 A N 1.012 123.402 122.820 -0.718 0.000 2.251 283 A HA 0.339 4.659 4.320 0.000 0.000 0.209 283 A C 2.096 179.199 177.584 -0.802 0.000 1.187 283 A CA 0.748 52.343 52.037 -0.736 0.000 0.823 283 A CB -0.897 17.738 19.000 -0.608 0.000 0.846 283 A HN 0.513 nan 8.150 nan 0.000 0.486 284 S N 0.656 115.760 115.700 -0.994 0.000 2.378 284 S HA -0.227 4.243 4.470 0.000 0.000 0.229 284 S C 2.136 176.640 174.600 -0.161 0.000 1.052 284 S CA 2.761 60.743 58.200 -0.363 0.000 1.084 284 S CB -0.462 62.728 63.200 -0.016 0.000 0.950 284 S HN 0.838 nan 8.310 nan 0.000 0.440 285 T N -1.976 112.495 114.554 -0.139 0.000 3.100 285 T HA 0.101 4.451 4.350 0.000 0.000 0.253 285 T C 1.421 176.064 174.700 -0.095 0.000 1.118 285 T CA 1.221 63.277 62.100 -0.074 0.000 1.058 285 T CB -0.144 68.700 68.868 -0.040 0.000 0.953 285 T HN 0.569 nan 8.240 nan 0.000 0.515 286 T N -1.929 112.541 114.554 -0.141 0.000 2.975 286 T HA 0.475 4.825 4.350 0.000 0.000 0.257 286 T C 0.123 174.756 174.700 -0.112 0.000 1.003 286 T CA -0.602 61.427 62.100 -0.119 0.000 0.932 286 T CB -0.016 68.773 68.868 -0.132 0.000 1.087 286 T HN 0.384 nan 8.240 nan 0.000 0.512 287 M N 2.062 121.588 119.600 -0.125 0.000 2.464 287 M HA 0.510 4.990 4.480 0.000 0.000 0.308 287 M C -1.579 174.673 176.300 -0.081 0.000 1.127 287 M CA -0.737 54.521 55.300 -0.071 0.000 0.913 287 M CB 2.151 34.732 32.600 -0.032 0.000 1.689 287 M HN -0.098 nan 8.290 nan 0.000 0.445 288 D N 2.043 122.413 120.400 -0.050 0.000 2.357 288 D HA 0.125 4.765 4.640 0.000 0.000 0.242 288 D C -1.084 175.189 176.300 -0.045 0.000 1.153 288 D CA 0.464 54.419 54.000 -0.075 0.000 0.918 288 D CB 0.533 41.348 40.800 0.026 0.000 1.181 288 D HN 0.398 nan 8.370 nan 0.000 0.435 289 Y N 1.139 121.486 120.300 0.079 0.000 2.550 289 Y HA 0.150 4.700 4.550 0.000 0.000 0.343 289 Y C -1.277 174.675 175.900 0.086 0.000 1.245 289 Y CA -1.127 57.026 58.100 0.089 0.000 1.462 289 Y CB -0.303 38.194 38.460 0.062 0.000 1.340 289 Y HN 0.249 nan 8.280 nan 0.000 0.604 290 P HA 0.073 nan 4.420 nan 0.000 0.274 290 P C -0.667 176.718 177.300 0.142 0.000 1.231 290 P CA -0.480 62.702 63.100 0.136 0.000 0.790 290 P CB 1.179 32.914 31.700 0.058 0.000 0.951 291 S N 1.678 117.428 115.700 0.083 0.000 2.645 291 S HA 0.216 4.686 4.470 0.000 0.000 0.266 291 S C 1.636 176.249 174.600 0.023 0.000 1.258 291 S CA -0.733 57.509 58.200 0.069 0.000 0.990 291 S CB 0.048 63.278 63.200 0.050 0.000 0.967 291 S HN 0.353 nan 8.310 nan 0.000 0.556 292 L N 1.076 122.313 121.223 0.024 0.000 2.042 292 L HA -0.021 4.319 4.340 0.000 0.000 0.210 292 L C 2.880 179.726 176.870 -0.040 0.000 1.076 292 L CA 1.617 56.443 54.840 -0.024 0.000 0.749 292 L CB -1.417 40.659 42.059 0.028 0.000 0.893 292 L HN 0.986 nan 8.230 nan 0.000 0.432 293 G N 0.079 108.872 108.800 -0.012 0.000 2.422 293 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 293 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 293 G C 1.582 176.462 174.900 -0.035 0.000 1.146 293 G CA 0.687 45.777 45.100 -0.018 0.000 0.769 293 G HN 0.211 nan 8.290 nan 0.000 0.547 294 L N 0.214 121.418 121.223 -0.032 0.000 2.109 294 L HA 0.207 4.547 4.340 0.000 0.000 0.207 294 L C 2.856 179.679 176.870 -0.078 0.000 1.086 294 L CA 1.387 56.203 54.840 -0.041 0.000 0.760 294 L CB -0.335 41.713 42.059 -0.019 0.000 0.910 294 L HN 0.223 nan 8.230 nan 0.000 0.437 295 M N -1.424 118.111 119.600 -0.109 0.000 2.080 295 M HA -0.218 4.262 4.480 0.000 0.000 0.260 295 M C 2.052 178.256 176.300 -0.159 0.000 1.068 295 M CA 2.335 57.530 55.300 -0.176 0.000 1.109 295 M CB -0.744 31.684 32.600 -0.286 0.000 1.342 295 M HN 0.225 nan 8.290 nan 0.000 0.405 296 T N -0.112 114.368 114.554 -0.124 0.000 2.720 296 T HA -0.205 4.145 4.350 0.000 0.000 0.268 296 T C 1.663 176.307 174.700 -0.093 0.000 1.037 296 T CA 1.603 63.642 62.100 -0.102 0.000 1.144 296 T CB -0.328 68.501 68.868 -0.065 0.000 0.864 296 T HN 0.475 nan 8.240 nan 0.000 0.444 297 E N 0.627 120.780 120.200 -0.079 0.000 2.058 297 E HA -0.212 4.138 4.350 0.000 0.000 0.194 297 E C 2.107 178.655 176.600 -0.087 0.000 0.997 297 E CA 1.068 57.426 56.400 -0.070 0.000 0.801 297 E CB 0.090 29.757 29.700 -0.054 0.000 0.746 297 E HN 0.208 nan 8.360 nan 0.000 0.450 298 K N 0.404 120.743 120.400 -0.103 0.000 2.062 298 K HA -0.055 4.265 4.320 0.000 0.000 0.205 298 K C 2.366 178.875 176.600 -0.152 0.000 1.051 298 K CA 0.503 56.718 56.287 -0.120 0.000 0.941 298 K CB -0.492 31.934 32.500 -0.123 0.000 0.719 298 K HN 0.253 nan 8.250 nan 0.000 0.440 299 L N 0.954 122.077 121.223 -0.167 0.000 2.042 299 L HA -0.206 4.134 4.340 0.000 0.000 0.210 299 L C 2.675 179.447 176.870 -0.164 0.000 1.076 299 L CA 1.373 56.098 54.840 -0.191 0.000 0.749 299 L CB -0.510 41.434 42.059 -0.192 0.000 0.893 299 L HN 0.174 nan 8.230 nan 0.000 0.432 300 S N -0.989 114.635 115.700 -0.127 0.000 2.383 300 S HA -0.238 4.232 4.470 0.000 0.000 0.227 300 S C 1.982 176.524 174.600 -0.097 0.000 1.026 300 S CA 1.339 59.478 58.200 -0.102 0.000 0.981 300 S CB -0.082 63.070 63.200 -0.080 0.000 0.818 300 S HN 0.442 nan 8.310 nan 0.000 0.472 301 Q N -0.098 119.642 119.800 -0.100 0.000 2.119 301 Q HA -0.026 4.314 4.340 0.000 0.000 0.201 301 Q C 1.163 177.101 176.000 -0.104 0.000 0.972 301 Q CA 0.970 56.719 55.803 -0.089 0.000 0.847 301 Q CB 0.012 28.700 28.738 -0.082 0.000 0.903 301 Q HN 0.292 nan 8.270 nan 0.000 0.433 302 K N 0.915 121.225 120.400 -0.149 0.000 2.404 302 K HA 0.056 4.376 4.320 0.000 0.000 0.194 302 K C -0.175 176.309 176.600 -0.194 0.000 1.023 302 K CA -0.002 56.164 56.287 -0.202 0.000 1.094 302 K CB 0.188 32.507 32.500 -0.302 0.000 0.841 302 K HN 0.255 nan 8.250 nan 0.000 0.523 303 N N 1.164 119.784 118.700 -0.134 0.000 2.696 303 N HA -0.209 4.531 4.740 0.000 0.000 0.256 303 N C -0.805 174.654 175.510 -0.084 0.000 1.031 303 N CA 0.828 53.828 53.050 -0.083 0.000 0.730 303 N CB -1.509 36.961 38.487 -0.028 0.000 0.894 303 N HN 0.323 nan 8.380 nan 0.000 0.544 304 I N 0.390 120.833 120.570 -0.211 0.000 2.465 304 I HA 0.233 4.403 4.170 0.000 0.000 0.291 304 I C -0.067 175.933 176.117 -0.196 0.000 1.014 304 I CA -0.737 60.387 61.300 -0.293 0.000 1.093 304 I CB 1.646 39.322 38.000 -0.541 0.000 1.267 304 I HN -0.049 nan 8.210 nan 0.000 0.431 305 N N 5.872 124.492 118.700 -0.135 0.000 2.419 305 N HA 0.318 5.058 4.740 0.000 0.000 0.264 305 N C -0.845 174.603 175.510 -0.104 0.000 1.031 305 N CA -0.542 52.447 53.050 -0.101 0.000 0.951 305 N CB 2.201 40.656 38.487 -0.053 0.000 1.101 305 N HN 0.322 nan 8.380 nan 0.000 0.488 306 L N 3.689 124.811 121.223 -0.169 0.000 2.292 306 L HA 0.513 4.853 4.340 0.000 0.000 0.284 306 L C -0.554 176.161 176.870 -0.258 0.000 1.065 306 L CA -0.176 54.509 54.840 -0.259 0.000 0.806 306 L CB 0.440 42.227 42.059 -0.453 0.000 1.175 306 L HN 0.431 nan 8.230 nan 0.000 0.431 307 I N 5.594 126.055 120.570 -0.181 0.000 2.410 307 I HA 0.234 4.404 4.170 0.000 0.000 0.286 307 I C -1.022 175.073 176.117 -0.036 0.000 1.009 307 I CA -0.469 60.785 61.300 -0.076 0.000 1.111 307 I CB 1.180 39.215 38.000 0.058 0.000 1.262 307 I HN 0.405 nan 8.210 nan 0.000 0.443 308 F N 5.191 125.233 119.950 0.153 0.000 2.405 308 F HA 0.334 4.861 4.527 0.000 0.000 0.358 308 F C 0.934 176.808 175.800 0.123 0.000 1.151 308 F CA -0.571 57.530 58.000 0.169 0.000 1.161 308 F CB 0.841 39.928 39.000 0.146 0.000 1.245 308 F HN 0.456 nan 8.300 nan 0.000 0.545 309 A N 4.772 127.765 122.820 0.289 0.000 2.910 309 A HA 0.572 4.892 4.320 0.000 0.000 0.316 309 A C -0.224 177.420 177.584 0.098 0.000 1.493 309 A CA -0.460 51.684 52.037 0.178 0.000 1.150 309 A CB -0.587 18.519 19.000 0.178 0.000 1.159 309 A HN 0.590 nan 8.150 nan 0.000 0.526 310 V N 0.367 120.326 119.914 0.074 0.000 2.881 310 V HA 0.850 4.970 4.120 0.000 0.000 0.316 310 V C 0.336 176.459 176.094 0.048 0.000 1.070 310 V CA -0.171 62.126 62.300 -0.004 0.000 0.976 310 V CB 1.150 32.886 31.823 -0.143 0.000 1.038 310 V HN 0.746 nan 8.190 nan 0.000 0.446 311 T N 0.303 114.883 114.554 0.044 0.000 2.813 311 T HA 0.261 4.611 4.350 0.000 0.000 0.297 311 T C 0.978 175.722 174.700 0.073 0.000 1.036 311 T CA 0.529 62.663 62.100 0.056 0.000 1.044 311 T CB 0.945 69.840 68.868 0.044 0.000 0.993 311 T HN 1.132 nan 8.240 nan 0.000 0.535 312 E N 1.826 122.064 120.200 0.063 0.000 2.118 312 E HA -0.316 4.034 4.350 0.000 0.000 0.195 312 E C 1.748 178.385 176.600 0.062 0.000 0.992 312 E CA 1.828 58.265 56.400 0.062 0.000 0.804 312 E CB -0.616 29.113 29.700 0.048 0.000 0.741 312 E HN 0.756 nan 8.360 nan 0.000 0.458 313 N N 1.418 120.153 118.700 0.057 0.000 2.348 313 N HA -0.155 4.585 4.740 0.000 0.000 0.185 313 N C 1.503 177.052 175.510 0.066 0.000 1.019 313 N CA 2.050 55.130 53.050 0.051 0.000 0.880 313 N CB -0.126 38.387 38.487 0.043 0.000 0.965 313 N HN 0.443 nan 8.380 nan 0.000 0.437 314 V N -4.101 115.880 119.914 0.112 0.000 3.346 314 V HA 0.279 4.399 4.120 0.000 0.000 0.309 314 V C 1.921 178.154 176.094 0.232 0.000 1.457 314 V CA -0.365 62.039 62.300 0.172 0.000 1.069 314 V CB -0.086 31.924 31.823 0.311 0.000 0.944 314 V HN -0.075 nan 8.190 nan 0.000 0.449 315 V N 2.242 122.252 119.914 0.161 0.000 2.282 315 V HA -0.321 3.799 4.120 0.000 0.000 0.249 315 V C 2.481 178.645 176.094 0.117 0.000 1.057 315 V CA 3.207 65.602 62.300 0.158 0.000 1.032 315 V CB -1.070 30.818 31.823 0.109 0.000 0.645 315 V HN 0.706 nan 8.190 nan 0.000 0.447 316 N N -0.186 118.544 118.700 0.050 0.000 2.166 316 N HA -0.182 4.558 4.740 0.000 0.000 0.186 316 N C 1.710 177.164 175.510 -0.093 0.000 1.019 316 N CA 1.151 54.195 53.050 -0.010 0.000 0.856 316 N CB -0.233 38.239 38.487 -0.025 0.000 0.993 316 N HN 0.366 nan 8.380 nan 0.000 0.426 317 L N 0.052 121.194 121.223 -0.135 0.000 2.012 317 L HA -0.166 4.174 4.340 0.000 0.000 0.210 317 L C 1.385 177.941 176.870 -0.523 0.000 1.073 317 L CA 1.729 56.339 54.840 -0.383 0.000 0.748 317 L CB -0.599 41.225 42.059 -0.393 0.000 0.891 317 L HN 0.198 nan 8.230 nan 0.000 0.431 318 Y N -1.183 119.032 120.300 -0.141 0.000 2.420 318 Y HA -0.109 4.441 4.550 0.000 0.000 0.292 318 Y C 2.665 178.549 175.900 -0.027 0.000 1.119 318 Y CA 1.106 59.117 58.100 -0.148 0.000 1.229 318 Y CB -0.370 37.937 38.460 -0.256 0.000 1.026 318 Y HN 0.318 nan 8.280 nan 0.000 0.554 319 Q N 0.894 120.767 119.800 0.123 0.000 2.170 319 Q HA -0.167 4.173 4.340 0.000 0.000 0.203 319 Q C 1.427 177.454 176.000 0.044 0.000 0.976 319 Q CA 1.872 57.742 55.803 0.112 0.000 0.858 319 Q CB -0.266 28.519 28.738 0.077 0.000 0.907 319 Q HN 0.291 nan 8.270 nan 0.000 0.433 320 N N -1.106 117.545 118.700 -0.082 0.000 2.171 320 N HA -0.097 4.643 4.740 0.000 0.000 0.184 320 N C 1.212 176.667 175.510 -0.092 0.000 1.021 320 N CA 1.110 54.076 53.050 -0.140 0.000 0.854 320 N CB -0.376 37.944 38.487 -0.277 0.000 0.994 320 N HN 0.316 nan 8.380 nan 0.000 0.426 321 Y N 1.016 121.293 120.300 -0.038 0.000 2.224 321 Y HA -0.041 4.509 4.550 0.000 0.000 0.289 321 Y C 2.740 178.718 175.900 0.129 0.000 1.146 321 Y CA 0.568 58.675 58.100 0.012 0.000 1.182 321 Y CB -0.897 37.529 38.460 -0.058 0.000 0.983 321 Y HN 0.021 nan 8.280 nan 0.000 0.524 322 S N -0.060 115.847 115.700 0.345 0.000 2.370 322 S HA -0.230 4.240 4.470 0.000 0.000 0.226 322 S C 1.855 176.563 174.600 0.181 0.000 1.033 322 S CA 1.633 60.033 58.200 0.335 0.000 1.011 322 S CB -0.240 63.159 63.200 0.332 0.000 0.852 322 S HN 0.572 nan 8.310 nan 0.000 0.457 323 E N 0.161 120.437 120.200 0.127 0.000 2.265 323 E HA -0.029 4.321 4.350 0.000 0.000 0.196 323 E C 1.576 178.219 176.600 0.072 0.000 0.996 323 E CA 0.806 57.252 56.400 0.078 0.000 0.832 323 E CB -0.082 29.646 29.700 0.047 0.000 0.756 323 E HN 0.508 nan 8.360 nan 0.000 0.491 324 L N 0.334 121.617 121.223 0.101 0.000 2.567 324 L HA 0.183 4.523 4.340 0.000 0.000 0.225 324 L C 0.517 177.430 176.870 0.070 0.000 1.119 324 L CA 0.091 54.983 54.840 0.087 0.000 0.871 324 L CB 0.427 42.556 42.059 0.118 0.000 1.036 324 L HN 0.044 nan 8.230 nan 0.000 0.459 325 I N 0.831 121.449 120.570 0.079 0.000 2.668 325 I HA 0.265 4.435 4.170 0.000 0.000 0.276 325 I C -2.368 173.760 176.117 0.018 0.000 1.139 325 I CA -1.829 59.489 61.300 0.030 0.000 1.133 325 I CB 0.963 38.972 38.000 0.015 0.000 1.327 325 I HN -0.221 nan 8.210 nan 0.000 0.520 326 P HA 0.051 nan 4.420 nan 0.000 0.264 326 P C 1.074 178.365 177.300 -0.015 0.000 1.183 326 P CA 0.967 64.069 63.100 0.003 0.000 0.763 326 P CB 0.705 32.402 31.700 -0.005 0.000 0.807 327 G N 1.498 110.293 108.800 -0.008 0.000 2.254 327 G HA2 -0.206 3.754 3.960 0.000 0.000 0.225 327 G HA3 -0.206 3.754 3.960 0.000 0.000 0.225 327 G C 0.352 175.236 174.900 -0.026 0.000 1.003 327 G CA 0.029 45.115 45.100 -0.023 0.000 0.622 327 G HN 0.608 nan 8.290 nan 0.000 0.507 328 T N 2.094 116.635 114.554 -0.022 0.000 2.898 328 T HA 0.530 4.880 4.350 0.000 0.000 0.301 328 T C 0.649 175.371 174.700 0.037 0.000 1.049 328 T CA 1.034 63.112 62.100 -0.037 0.000 1.095 328 T CB 1.404 70.251 68.868 -0.035 0.000 0.976 328 T HN 1.166 nan 8.240 nan 0.000 0.539 329 T N -1.456 113.120 114.554 0.037 0.000 2.901 329 T HA 0.729 5.079 4.350 0.000 0.000 0.293 329 T C -0.949 173.854 174.700 0.172 0.000 1.084 329 T CA -0.824 61.335 62.100 0.098 0.000 1.008 329 T CB 1.359 70.266 68.868 0.066 0.000 1.170 329 T HN 0.327 nan 8.240 nan 0.000 0.509 330 V N 0.514 120.545 119.914 0.194 0.000 2.656 330 V HA 0.859 4.979 4.120 0.000 0.000 0.307 330 V C 0.500 176.697 176.094 0.171 0.000 1.051 330 V CA -0.458 61.989 62.300 0.246 0.000 0.893 330 V CB 1.695 33.683 31.823 0.275 0.000 0.999 330 V HN 1.374 nan 8.190 nan 0.000 0.426 331 G N 2.140 111.042 108.800 0.170 0.000 2.574 331 G HA2 0.638 4.598 3.960 0.000 0.000 0.299 331 G HA3 0.638 4.598 3.960 0.000 0.000 0.299 331 G C -1.328 173.645 174.900 0.122 0.000 1.298 331 G CA -0.670 44.507 45.100 0.128 0.000 0.952 331 G HN 0.530 nan 8.290 nan 0.000 0.477 332 V N 1.687 121.660 119.914 0.098 0.000 2.406 332 V HA 0.251 4.371 4.120 0.000 0.000 0.272 332 V C 0.206 176.350 176.094 0.083 0.000 1.043 332 V CA -0.623 61.730 62.300 0.088 0.000 0.915 332 V CB 1.030 32.898 31.823 0.075 0.000 0.988 332 V HN 0.637 nan 8.190 nan 0.000 0.466 333 L N 6.659 127.930 121.223 0.080 0.000 2.360 333 L HA 0.600 4.940 4.340 0.000 0.000 0.276 333 L C 0.383 177.297 176.870 0.073 0.000 1.121 333 L CA 1.171 56.055 54.840 0.074 0.000 0.845 333 L CB 0.723 42.816 42.059 0.056 0.000 1.143 333 L HN 0.977 nan 8.230 nan 0.000 0.452 334 S N 3.682 119.433 115.700 0.084 0.000 2.757 334 S HA 0.364 4.834 4.470 0.000 0.000 0.285 334 S C 0.645 175.334 174.600 0.149 0.000 1.196 334 S CA -0.685 57.574 58.200 0.097 0.000 0.856 334 S CB 0.569 63.818 63.200 0.080 0.000 1.212 334 S HN 0.583 nan 8.310 nan 0.000 0.516 335 M N 1.185 120.892 119.600 0.178 0.000 2.358 335 M HA 0.044 4.524 4.480 0.000 0.000 0.264 335 M C 0.357 176.826 176.300 0.282 0.000 1.064 335 M CA 1.275 56.764 55.300 0.314 0.000 1.093 335 M CB -0.301 32.399 32.600 0.166 0.000 1.401 335 M HN 0.610 nan 8.290 nan 0.000 0.440 336 D N -0.105 120.387 120.400 0.155 0.000 2.193 336 D HA 0.129 4.769 4.640 0.000 0.000 0.244 336 D C 0.329 176.677 176.300 0.080 0.000 1.064 336 D CA 0.033 54.100 54.000 0.111 0.000 0.845 336 D CB 1.390 42.238 40.800 0.079 0.000 1.148 336 D HN 0.093 nan 8.370 nan 0.000 0.464 337 S N 1.402 117.135 115.700 0.055 0.000 2.556 337 S HA 0.008 4.478 4.470 0.000 0.000 0.216 337 S C 1.488 176.104 174.600 0.027 0.000 0.970 337 S CA -0.113 58.104 58.200 0.028 0.000 0.912 337 S CB 0.266 63.459 63.200 -0.012 0.000 0.790 337 S HN 0.297 nan 8.310 nan 0.000 0.504 338 S N 3.167 118.888 115.700 0.034 0.000 2.356 338 S HA -0.129 4.341 4.470 0.000 0.000 0.223 338 S C 1.942 176.564 174.600 0.036 0.000 1.032 338 S CA 1.259 59.477 58.200 0.030 0.000 1.005 338 S CB -0.684 62.535 63.200 0.032 0.000 0.867 338 S HN 0.678 nan 8.310 nan 0.000 0.449 339 N N 1.575 120.302 118.700 0.045 0.000 2.018 339 N HA -0.122 4.618 4.740 0.000 0.000 0.196 339 N C 1.707 177.251 175.510 0.057 0.000 1.043 339 N CA 1.697 54.779 53.050 0.052 0.000 0.856 339 N CB -0.527 37.996 38.487 0.060 0.000 1.042 339 N HN 0.255 nan 8.380 nan 0.000 0.423 340 V N 1.504 121.455 119.914 0.062 0.000 2.427 340 V HA -0.150 3.970 4.120 0.000 0.000 0.248 340 V C 2.605 178.732 176.094 0.054 0.000 1.051 340 V CA 0.940 63.283 62.300 0.071 0.000 1.048 340 V CB -0.436 31.438 31.823 0.085 0.000 0.666 340 V HN 0.256 nan 8.190 nan 0.000 0.456 341 L N -0.523 120.720 121.223 0.033 0.000 2.046 341 L HA -0.206 4.134 4.340 0.000 0.000 0.208 341 L C 2.816 179.703 176.870 0.027 0.000 1.077 341 L CA 1.455 56.305 54.840 0.017 0.000 0.747 341 L CB -0.427 41.631 42.059 -0.001 0.000 0.896 341 L HN 0.308 nan 8.230 nan 0.000 0.432 342 Q N -0.295 119.526 119.800 0.034 0.000 2.096 342 Q HA -0.222 4.118 4.340 0.000 0.000 0.204 342 Q C 2.328 178.358 176.000 0.050 0.000 0.982 342 Q CA 1.675 57.502 55.803 0.040 0.000 0.850 342 Q CB -0.445 28.317 28.738 0.040 0.000 0.901 342 Q HN 0.532 nan 8.270 nan 0.000 0.422 343 L N 0.052 121.308 121.223 0.055 0.000 2.042 343 L HA -0.223 4.117 4.340 0.000 0.000 0.210 343 L C 2.292 179.201 176.870 0.065 0.000 1.076 343 L CA 0.799 55.676 54.840 0.061 0.000 0.749 343 L CB -0.524 41.577 42.059 0.069 0.000 0.893 343 L HN 0.216 nan 8.230 nan 0.000 0.432 344 I N -0.937 119.671 120.570 0.064 0.000 2.163 344 I HA -0.202 3.968 4.170 0.000 0.000 0.240 344 I C 2.633 178.806 176.117 0.093 0.000 1.081 344 I CA 1.168 62.512 61.300 0.073 0.000 1.353 344 I CB -1.038 36.992 38.000 0.050 0.000 1.054 344 I HN 0.041 nan 8.210 nan 0.000 0.407 345 V N 1.655 121.610 119.914 0.068 0.000 2.282 345 V HA -0.312 3.808 4.120 0.000 0.000 0.249 345 V C 2.261 178.434 176.094 0.131 0.000 1.057 345 V CA 2.183 64.535 62.300 0.087 0.000 1.032 345 V CB -0.724 31.126 31.823 0.046 0.000 0.645 345 V HN 0.354 nan 8.190 nan 0.000 0.447 346 D N 0.131 120.585 120.400 0.091 0.000 2.144 346 D HA -0.126 4.514 4.640 0.000 0.000 0.199 346 D C 2.193 178.541 176.300 0.079 0.000 0.984 346 D CA 1.589 55.636 54.000 0.078 0.000 0.834 346 D CB -0.395 40.439 40.800 0.057 0.000 0.955 346 D HN 0.472 nan 8.370 nan 0.000 0.465 347 A N 0.017 122.889 122.820 0.087 0.000 1.902 347 A HA -0.220 4.100 4.320 0.000 0.000 0.217 347 A C 2.179 179.818 177.584 0.092 0.000 1.181 347 A CA 1.157 53.237 52.037 0.072 0.000 0.623 347 A CB -1.017 18.028 19.000 0.074 0.000 0.818 347 A HN 0.320 nan 8.150 nan 0.000 0.443 348 Y N 0.780 121.097 120.300 0.028 0.000 2.293 348 Y HA -0.008 4.542 4.550 0.000 0.000 0.291 348 Y C 2.425 178.363 175.900 0.064 0.000 1.137 348 Y CA 1.154 59.284 58.100 0.051 0.000 1.202 348 Y CB -0.568 37.927 38.460 0.059 0.000 0.990 348 Y HN 0.258 nan 8.280 nan 0.000 0.537 349 G N -0.157 108.729 108.800 0.143 0.000 2.432 349 G HA2 -0.255 3.705 3.960 0.000 0.000 0.219 349 G HA3 -0.255 3.705 3.960 0.000 0.000 0.219 349 G C 1.570 176.463 174.900 -0.011 0.000 1.135 349 G CA 0.844 45.987 45.100 0.072 0.000 0.767 349 G HN 0.383 nan 8.290 nan 0.000 0.550 350 K N -0.308 120.072 120.400 -0.034 0.000 2.459 350 K HA 0.230 4.550 4.320 0.000 0.000 0.193 350 K C 0.520 177.042 176.600 -0.130 0.000 1.030 350 K CA -0.232 56.018 56.287 -0.061 0.000 1.026 350 K CB 0.244 32.718 32.500 -0.044 0.000 0.809 350 K HN 0.301 nan 8.250 nan 0.000 0.504 351 I N 2.745 123.185 120.570 -0.218 0.000 2.618 351 I HA -0.010 4.160 4.170 0.000 0.000 0.284 351 I C 0.355 176.232 176.117 -0.401 0.000 1.146 351 I CA 0.084 61.154 61.300 -0.383 0.000 1.425 351 I CB 0.323 37.955 38.000 -0.613 0.000 1.383 351 I HN 0.013 nan 8.210 nan 0.000 0.562 352 R N 4.289 124.557 120.500 -0.387 0.000 2.807 352 R HA 0.653 4.993 4.340 0.000 0.000 0.276 352 R C -0.694 175.423 176.300 -0.306 0.000 0.979 352 R CA -0.775 55.167 56.100 -0.263 0.000 0.928 352 R CB 2.154 32.381 30.300 -0.122 0.000 1.191 352 R HN 0.775 nan 8.270 nan 0.000 0.471 353 S N -0.176 115.453 115.700 -0.119 0.000 2.704 353 S HA 0.748 5.218 4.470 0.000 0.000 0.296 353 S C -0.805 173.838 174.600 0.072 0.000 1.138 353 S CA -0.955 57.234 58.200 -0.018 0.000 0.875 353 S CB 2.506 65.800 63.200 0.158 0.000 1.151 353 S HN 0.549 nan 8.310 nan 0.000 0.500 354 K N -0.513 119.953 120.400 0.111 0.000 2.385 354 K HA 0.768 5.088 4.320 0.000 0.000 0.248 354 K C -1.733 174.969 176.600 0.170 0.000 0.955 354 K CA -1.077 55.278 56.287 0.113 0.000 0.816 354 K CB 1.986 34.522 32.500 0.060 0.000 1.250 354 K HN 0.377 nan 8.250 nan 0.000 0.434 355 V N 1.725 121.711 119.914 0.119 0.000 2.313 355 V HA 0.266 4.386 4.120 0.000 0.000 0.278 355 V C -0.772 175.320 176.094 -0.003 0.000 1.017 355 V CA -0.463 61.855 62.300 0.031 0.000 0.823 355 V CB 0.805 32.654 31.823 0.042 0.000 1.010 355 V HN 0.892 nan 8.190 nan 0.000 0.443 356 E N 5.201 125.357 120.200 -0.074 0.000 2.182 356 E HA 0.488 4.838 4.350 0.000 0.000 0.258 356 E C -1.019 175.445 176.600 -0.226 0.000 0.879 356 E CA -0.624 55.697 56.400 -0.132 0.000 0.754 356 E CB 1.199 30.860 29.700 -0.065 0.000 1.162 356 E HN 0.626 nan 8.360 nan 0.000 0.419 357 L N 4.591 125.577 121.223 -0.394 0.000 2.380 357 L HA 0.274 4.614 4.340 0.000 0.000 0.273 357 L C 0.236 176.924 176.870 -0.303 0.000 1.138 357 L CA 0.043 54.634 54.840 -0.416 0.000 0.832 357 L CB 0.576 42.236 42.059 -0.664 0.000 1.124 357 L HN 0.604 nan 8.230 nan 0.000 0.454 358 E N 2.302 122.402 120.200 -0.166 0.000 2.272 358 E HA 0.564 4.914 4.350 0.000 0.000 0.269 358 E C -1.484 175.117 176.600 0.003 0.000 0.877 358 E CA -0.947 55.400 56.400 -0.088 0.000 0.755 358 E CB 2.295 31.966 29.700 -0.048 0.000 1.192 358 E HN 0.191 nan 8.360 nan 0.000 0.422 359 V N 3.197 123.139 119.914 0.048 0.000 2.407 359 V HA 0.411 4.531 4.120 0.000 0.000 0.278 359 V C 0.006 176.166 176.094 0.111 0.000 1.037 359 V CA -0.595 61.788 62.300 0.139 0.000 0.900 359 V CB 0.878 32.808 31.823 0.177 0.000 0.983 359 V HN 0.624 nan 8.190 nan 0.000 0.459 360 R N 3.186 123.773 120.500 0.146 0.000 2.599 360 R HA 0.476 4.816 4.340 0.000 0.000 0.295 360 R C -0.804 175.586 176.300 0.150 0.000 0.963 360 R CA -0.746 55.422 56.100 0.113 0.000 0.883 360 R CB 1.482 31.833 30.300 0.086 0.000 1.171 360 R HN 0.795 nan 8.270 nan 0.000 0.450 361 D N 0.995 121.461 120.400 0.110 0.000 2.835 361 D HA -0.172 4.468 4.640 0.000 0.000 0.230 361 D C -0.529 175.863 176.300 0.153 0.000 1.130 361 D CA 0.638 54.708 54.000 0.117 0.000 0.738 361 D CB -1.060 39.810 40.800 0.118 0.000 1.090 361 D HN 0.223 nan 8.370 nan 0.000 0.433 362 L N 0.927 122.203 121.223 0.088 0.000 2.360 362 L HA 0.363 4.703 4.340 0.000 0.000 0.276 362 L C -1.756 175.112 176.870 -0.002 0.000 1.121 362 L CA -0.932 53.895 54.840 -0.021 0.000 0.845 362 L CB 0.341 42.316 42.059 -0.141 0.000 1.143 362 L HN -0.223 nan 8.230 nan 0.000 0.452 363 P HA 0.035 nan 4.420 nan 0.000 0.268 363 P C 0.279 177.571 177.300 -0.013 0.000 1.208 363 P CA -0.174 62.943 63.100 0.028 0.000 0.777 363 P CB 0.606 32.354 31.700 0.080 0.000 0.875 364 E N 1.734 121.926 120.200 -0.014 0.000 2.097 364 E HA -0.275 4.075 4.350 0.000 0.000 0.196 364 E C 1.228 177.803 176.600 -0.041 0.000 1.000 364 E CA 2.016 58.399 56.400 -0.028 0.000 0.804 364 E CB -0.400 29.284 29.700 -0.027 0.000 0.740 364 E HN 0.454 nan 8.360 nan 0.000 0.454 365 E N -0.093 120.076 120.200 -0.052 0.000 2.072 365 E HA 0.048 4.398 4.350 0.000 0.000 0.191 365 E C 0.210 176.782 176.600 -0.046 0.000 0.985 365 E CA 0.548 56.905 56.400 -0.073 0.000 0.801 365 E CB -0.094 29.516 29.700 -0.149 0.000 0.750 365 E HN 0.266 nan 8.360 nan 0.000 0.452 366 L N 1.598 122.806 121.223 -0.025 0.000 2.331 366 L HA 0.222 4.562 4.340 0.000 0.000 0.278 366 L C -0.039 176.770 176.870 -0.102 0.000 1.106 366 L CA -0.574 54.241 54.840 -0.041 0.000 0.824 366 L CB 0.834 42.856 42.059 -0.061 0.000 1.142 366 L HN 0.039 nan 8.230 nan 0.000 0.443 367 S N 4.097 119.740 115.700 -0.095 0.000 2.526 367 S HA 0.792 5.262 4.470 0.000 0.000 0.293 367 S C -0.794 173.722 174.600 -0.140 0.000 1.092 367 S CA -0.950 57.188 58.200 -0.103 0.000 0.980 367 S CB 1.928 65.091 63.200 -0.062 0.000 1.048 367 S HN 0.435 nan 8.310 nan 0.000 0.483 368 L N 2.214 123.337 121.223 -0.168 0.000 2.333 368 L HA 0.803 5.143 4.340 0.000 0.000 0.269 368 L C -0.140 176.544 176.870 -0.310 0.000 1.010 368 L CA -0.692 53.964 54.840 -0.307 0.000 0.818 368 L CB 2.332 44.131 42.059 -0.433 0.000 1.306 368 L HN 0.995 nan 8.230 nan 0.000 0.430 369 S N 0.475 115.893 115.700 -0.470 0.000 2.541 369 S HA 0.780 5.250 4.470 0.000 0.000 0.280 369 S C -1.117 173.192 174.600 -0.484 0.000 1.112 369 S CA -0.712 57.304 58.200 -0.306 0.000 0.925 369 S CB 1.463 64.589 63.200 -0.124 0.000 1.067 369 S HN 0.281 nan 8.310 nan 0.000 0.479 370 F N 1.197 121.123 119.950 -0.040 0.000 2.522 370 F HA 0.625 5.152 4.527 0.000 0.000 0.324 370 F C 0.137 175.948 175.800 0.020 0.000 1.077 370 F CA -0.886 57.102 58.000 -0.019 0.000 0.944 370 F CB 1.778 40.772 39.000 -0.010 0.000 1.175 370 F HN 0.490 nan 8.300 nan 0.000 0.468 371 N N 1.244 120.080 118.700 0.228 0.000 2.399 371 N HA 0.604 5.344 4.740 0.000 0.000 0.284 371 N C -1.204 174.425 175.510 0.198 0.000 1.025 371 N CA -0.597 52.547 53.050 0.157 0.000 0.885 371 N CB 2.014 40.538 38.487 0.060 0.000 1.339 371 N HN 0.715 nan 8.380 nan 0.000 0.487 372 A N 1.529 124.445 122.820 0.159 0.000 2.274 372 A HA 0.594 4.914 4.320 0.000 0.000 0.309 372 A C -0.198 177.296 177.584 -0.150 0.000 1.226 372 A CA -0.320 51.725 52.037 0.013 0.000 0.853 372 A CB 0.246 19.341 19.000 0.159 0.000 1.146 372 A HN 0.448 nan 8.150 nan 0.000 0.518 373 T N 2.999 117.362 114.554 -0.317 0.000 2.874 373 T HA 0.392 4.742 4.350 0.000 0.000 0.321 373 T C 0.068 174.599 174.700 -0.281 0.000 1.075 373 T CA -0.257 61.707 62.100 -0.227 0.000 0.966 373 T CB -0.107 68.659 68.868 -0.171 0.000 1.001 373 T HN 0.729 nan 8.240 nan 0.000 0.476 374 c N 2.137 120.626 118.600 -0.186 0.000 2.536 374 c HA 0.429 4.999 4.570 0.000 0.000 0.385 374 c C 2.424 176.457 174.090 -0.094 0.000 2.253 374 c CA -0.791 55.448 56.329 -0.151 0.000 1.823 374 c CB -0.225 42.229 42.510 -0.094 0.000 2.000 374 c HN 0.871 nan 8.230 nan 0.000 0.444 375 L N 2.063 123.250 121.223 -0.059 0.000 2.191 375 L HA -0.135 4.205 4.340 0.000 0.000 0.212 375 L C 2.172 179.023 176.870 -0.032 0.000 1.103 375 L CA 1.550 56.368 54.840 -0.037 0.000 0.769 375 L CB -0.789 41.260 42.059 -0.018 0.000 0.908 375 L HN 0.780 nan 8.230 nan 0.000 0.438 376 N N -0.546 118.134 118.700 -0.033 0.000 2.550 376 N HA -0.203 4.537 4.740 0.000 0.000 0.186 376 N C 0.196 175.688 175.510 -0.031 0.000 1.110 376 N CA 0.557 53.591 53.050 -0.027 0.000 0.912 376 N CB -0.730 37.743 38.487 -0.023 0.000 0.968 376 N HN 0.221 nan 8.380 nan 0.000 0.448 377 N N 0.125 118.799 118.700 -0.043 0.000 2.740 377 N HA -0.176 4.564 4.740 0.000 0.000 0.248 377 N C -1.364 174.122 175.510 -0.039 0.000 1.062 377 N CA 0.833 53.857 53.050 -0.044 0.000 0.704 377 N CB -1.754 36.714 38.487 -0.032 0.000 0.968 377 N HN 0.674 nan 8.380 nan 0.000 0.547 378 E N -0.376 119.799 120.200 -0.042 0.000 2.191 378 E HA 0.366 4.716 4.350 0.000 0.000 0.263 378 E C -0.303 176.274 176.600 -0.038 0.000 0.881 378 E CA -0.810 55.571 56.400 -0.033 0.000 0.757 378 E CB 2.011 31.697 29.700 -0.023 0.000 1.147 378 E HN -0.065 nan 8.360 nan 0.000 0.414 379 V N 5.379 125.274 119.914 -0.031 0.000 2.359 379 V HA 0.047 4.167 4.120 0.000 0.000 0.248 379 V C 0.227 176.315 176.094 -0.010 0.000 1.091 379 V CA 0.251 62.535 62.300 -0.027 0.000 1.103 379 V CB -0.916 30.895 31.823 -0.020 0.000 1.176 379 V HN 0.582 nan 8.190 nan 0.000 0.488 380 I N 8.955 129.521 120.570 -0.007 0.000 2.363 380 I HA 0.223 4.393 4.170 0.000 0.000 0.292 380 I C -1.759 174.377 176.117 0.032 0.000 1.075 380 I CA -1.496 59.810 61.300 0.011 0.000 1.333 380 I CB 0.844 38.852 38.000 0.012 0.000 1.415 380 I HN 0.393 nan 8.210 nan 0.000 0.502 381 P HA 0.179 nan 4.420 nan 0.000 0.277 381 P C 0.807 178.142 177.300 0.058 0.000 1.240 381 P CA 0.149 63.275 63.100 0.043 0.000 0.798 381 P CB 1.471 33.186 31.700 0.025 0.000 0.979 382 G N 0.624 109.474 108.800 0.084 0.000 2.304 382 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 382 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 382 G C -0.090 174.877 174.900 0.112 0.000 1.014 382 G CA 0.238 45.398 45.100 0.099 0.000 0.619 382 G HN 0.597 nan 8.290 nan 0.000 0.525 383 L N 1.266 122.549 121.223 0.099 0.000 2.417 383 L HA 0.662 5.002 4.340 0.000 0.000 0.268 383 L C 1.219 178.159 176.870 0.117 0.000 1.158 383 L CA 0.756 55.644 54.840 0.079 0.000 0.819 383 L CB 1.059 43.161 42.059 0.072 0.000 1.112 383 L HN 0.389 nan 8.230 nan 0.000 0.458 384 K N 0.961 121.356 120.400 -0.009 0.000 2.734 384 K HA 0.391 4.711 4.320 0.000 0.000 0.200 384 K C -0.873 175.618 176.600 -0.183 0.000 1.120 384 K CA -0.247 55.920 56.287 -0.199 0.000 1.067 384 K CB 0.301 32.322 32.500 -0.798 0.000 0.771 384 K HN 0.473 nan 8.250 nan 0.000 0.481 385 S N -0.398 115.378 115.700 0.127 0.000 2.535 385 S HA 0.553 5.023 4.470 0.000 0.000 0.272 385 S C -0.667 174.048 174.600 0.192 0.000 1.149 385 S CA -0.787 57.495 58.200 0.138 0.000 0.888 385 S CB 1.149 64.344 63.200 -0.008 0.000 1.110 385 S HN 0.251 nan 8.310 nan 0.000 0.463 386 c N 3.242 121.962 118.600 0.201 0.000 2.493 386 c HA 0.796 5.366 4.570 0.000 0.000 0.326 386 c C 0.127 174.258 174.090 0.068 0.000 1.200 386 c CA -0.664 55.719 56.329 0.091 0.000 1.739 386 c CB 0.794 43.328 42.510 0.040 0.000 2.300 386 c HN 0.957 nan 8.230 nan 0.000 0.500 387 M N 1.028 120.650 119.600 0.037 0.000 2.761 387 M HA 0.609 5.089 4.480 0.000 0.000 0.305 387 M C 0.863 177.174 176.300 0.019 0.000 1.235 387 M CA 0.074 55.391 55.300 0.028 0.000 0.850 387 M CB 1.557 34.164 32.600 0.011 0.000 1.744 387 M HN 0.974 nan 8.290 nan 0.000 0.480 388 G N 1.210 110.017 108.800 0.011 0.000 2.182 388 G HA2 -0.175 3.785 3.960 0.000 0.000 0.248 388 G HA3 -0.175 3.785 3.960 0.000 0.000 0.248 388 G C -0.923 173.992 174.900 0.024 0.000 1.042 388 G CA -0.408 44.694 45.100 0.004 0.000 0.775 388 G HN 0.406 nan 8.290 nan 0.000 0.501 389 L N -0.019 121.237 121.223 0.055 0.000 2.350 389 L HA 0.590 4.930 4.340 0.000 0.000 0.275 389 L C 0.890 177.841 176.870 0.134 0.000 1.099 389 L CA -0.057 54.839 54.840 0.094 0.000 0.808 389 L CB 1.045 43.187 42.059 0.138 0.000 1.149 389 L HN 0.208 nan 8.230 nan 0.000 0.442 390 K N 2.189 122.665 120.400 0.125 0.000 2.177 390 K HA 0.524 4.844 4.320 0.000 0.000 0.238 390 K C -0.530 176.145 176.600 0.126 0.000 1.015 390 K CA -1.097 55.287 56.287 0.162 0.000 0.922 390 K CB 0.978 33.532 32.500 0.090 0.000 1.127 390 K HN 0.269 nan 8.250 nan 0.000 0.469 391 I N 1.784 122.373 120.570 0.030 0.000 2.752 391 I HA -0.086 4.084 4.170 0.000 0.000 0.289 391 I C 1.444 177.555 176.117 -0.010 0.000 1.197 391 I CA 1.410 62.652 61.300 -0.096 0.000 1.432 391 I CB -0.381 37.521 38.000 -0.162 0.000 1.359 391 I HN 1.075 nan 8.210 nan 0.000 0.571 392 G N 5.240 114.039 108.800 -0.001 0.000 2.234 392 G HA2 -0.200 3.760 3.960 0.000 0.000 0.235 392 G HA3 -0.200 3.760 3.960 0.000 0.000 0.235 392 G C 0.144 175.064 174.900 0.032 0.000 0.997 392 G CA -0.271 44.839 45.100 0.017 0.000 0.623 392 G HN 0.534 nan 8.290 nan 0.000 0.514 393 D N 1.341 121.768 120.400 0.045 0.000 2.382 393 D HA 0.542 5.182 4.640 0.000 0.000 0.240 393 D C 0.365 176.695 176.300 0.050 0.000 1.146 393 D CA 0.937 54.963 54.000 0.044 0.000 0.897 393 D CB 1.037 41.869 40.800 0.053 0.000 1.197 393 D HN 0.160 nan 8.370 nan 0.000 0.432 394 T N 0.478 115.048 114.554 0.027 0.000 2.879 394 T HA 0.501 4.851 4.350 0.000 0.000 0.290 394 T C 0.064 174.750 174.700 -0.024 0.000 0.993 394 T CA -0.817 61.294 62.100 0.018 0.000 0.975 394 T CB 1.270 70.145 68.868 0.013 0.000 0.981 394 T HN 0.214 nan 8.240 nan 0.000 0.439 395 V N 0.198 120.085 119.914 -0.045 0.000 3.193 395 V HA 1.002 5.122 4.120 0.000 0.000 0.320 395 V C -0.098 175.861 176.094 -0.225 0.000 1.112 395 V CA -0.859 61.340 62.300 -0.168 0.000 1.026 395 V CB 1.886 33.577 31.823 -0.220 0.000 1.128 395 V HN 0.827 nan 8.190 nan 0.000 0.452 396 S N 0.010 115.426 115.700 -0.473 0.000 2.546 396 S HA 0.821 5.291 4.470 0.000 0.000 0.272 396 S C -1.630 172.612 174.600 -0.598 0.000 1.140 396 S CA -0.428 57.568 58.200 -0.340 0.000 0.920 396 S CB 1.012 64.113 63.200 -0.166 0.000 1.083 396 S HN 0.639 nan 8.310 nan 0.000 0.476 397 F N 1.781 121.739 119.950 0.013 0.000 2.565 397 F HA 0.591 5.118 4.527 0.000 0.000 0.313 397 F C 0.391 176.192 175.800 0.001 0.000 1.091 397 F CA -0.757 57.260 58.000 0.028 0.000 0.915 397 F CB 2.280 41.322 39.000 0.071 0.000 1.208 397 F HN 0.461 nan 8.300 nan 0.000 0.453 398 S N 3.197 118.982 115.700 0.142 0.000 2.438 398 S HA 0.749 5.219 4.470 0.000 0.000 0.316 398 S C -0.845 173.675 174.600 -0.134 0.000 1.084 398 S CA -0.391 57.797 58.200 -0.020 0.000 1.107 398 S CB -0.032 63.148 63.200 -0.034 0.000 0.981 398 S HN 0.416 nan 8.310 nan 0.000 0.466 399 I N 3.900 124.206 120.570 -0.440 0.000 2.460 399 I HA 0.513 4.683 4.170 0.000 0.000 0.298 399 I C 0.207 175.824 176.117 -0.833 0.000 0.989 399 I CA -0.325 60.533 61.300 -0.737 0.000 1.173 399 I CB 1.732 39.181 38.000 -0.917 0.000 1.338 399 I HN 0.610 nan 8.210 nan 0.000 0.456 400 E N 4.089 123.953 120.200 -0.559 0.000 2.210 400 E HA 0.814 5.164 4.350 0.000 0.000 0.266 400 E C -1.533 174.936 176.600 -0.218 0.000 0.883 400 E CA -0.969 55.242 56.400 -0.314 0.000 0.761 400 E CB 1.651 31.236 29.700 -0.193 0.000 1.156 400 E HN 0.743 nan 8.360 nan 0.000 0.412 401 A N 4.711 127.518 122.820 -0.021 0.000 2.318 401 A HA 0.470 4.790 4.320 0.000 0.000 0.317 401 A C -0.953 176.649 177.584 0.030 0.000 1.159 401 A CA -0.712 51.339 52.037 0.023 0.000 0.799 401 A CB 1.067 20.186 19.000 0.198 0.000 1.194 401 A HN 0.540 nan 8.150 nan 0.000 0.479 402 K N 2.800 123.197 120.400 -0.005 0.000 2.358 402 K HA 0.534 4.854 4.320 0.000 0.000 0.260 402 K C -1.172 175.446 176.600 0.030 0.000 0.956 402 K CA -0.437 55.858 56.287 0.014 0.000 0.834 402 K CB 1.758 34.251 32.500 -0.011 0.000 1.102 402 K HN 0.548 nan 8.250 nan 0.000 0.431 403 V N 4.610 124.569 119.914 0.074 0.000 2.607 403 V HA 0.304 4.424 4.120 0.000 0.000 0.289 403 V C -0.247 175.846 176.094 -0.001 0.000 1.053 403 V CA -0.511 61.834 62.300 0.075 0.000 0.996 403 V CB 1.175 33.121 31.823 0.205 0.000 0.995 403 V HN 0.809 nan 8.190 nan 0.000 0.476 404 R N 5.093 125.563 120.500 -0.049 0.000 2.235 404 R HA 0.523 4.863 4.340 0.000 0.000 0.338 404 R C 0.710 176.955 176.300 -0.093 0.000 1.087 404 R CA 0.827 56.891 56.100 -0.061 0.000 0.948 404 R CB -0.085 30.178 30.300 -0.062 0.000 1.099 404 R HN 1.303 nan 8.270 nan 0.000 0.483 405 G N 2.649 111.409 108.800 -0.067 0.000 2.566 405 G HA2 -0.352 3.608 3.960 0.000 0.000 0.280 405 G HA3 -0.352 3.608 3.960 0.000 0.000 0.280 405 G C -0.758 174.074 174.900 -0.115 0.000 1.225 405 G CA 0.041 45.097 45.100 -0.074 0.000 0.966 405 G HN 0.755 nan 8.290 nan 0.000 0.560 406 c N 3.227 121.748 118.600 -0.131 0.000 2.316 406 c HA 0.757 5.327 4.570 0.000 0.000 0.324 406 c C -1.945 172.008 174.090 -0.229 0.000 1.226 406 c CA -1.095 55.133 56.329 -0.167 0.000 1.450 406 c CB 0.268 42.728 42.510 -0.083 0.000 2.123 406 c HN 0.744 nan 8.230 nan 0.000 0.454 407 P HA 0.330 nan 4.420 nan 0.000 0.281 407 P C 0.250 177.438 177.300 -0.186 0.000 1.249 407 P CA -0.140 62.757 63.100 -0.339 0.000 0.810 407 P CB 0.701 32.066 31.700 -0.558 0.000 1.008 408 Q N 0.333 120.068 119.800 -0.108 0.000 2.297 408 Q HA -0.110 4.230 4.340 0.000 0.000 0.204 408 Q C 1.494 177.487 176.000 -0.011 0.000 0.962 408 Q CA 0.862 56.636 55.803 -0.048 0.000 0.879 408 Q CB 0.105 28.820 28.738 -0.038 0.000 0.947 408 Q HN 0.548 nan 8.270 nan 0.000 0.462 409 E N 0.781 120.976 120.200 -0.009 0.000 2.058 409 E HA -0.203 4.147 4.350 0.000 0.000 0.194 409 E C 0.773 177.442 176.600 0.115 0.000 0.997 409 E CA 0.866 57.296 56.400 0.049 0.000 0.801 409 E CB 0.163 29.901 29.700 0.064 0.000 0.746 409 E HN 0.158 nan 8.360 nan 0.000 0.450 410 K N -0.920 119.608 120.400 0.215 0.000 3.483 410 K HA -0.181 4.139 4.320 0.000 0.000 0.288 410 K C -0.038 176.738 176.600 0.293 0.000 0.894 410 K CA 1.511 57.991 56.287 0.320 0.000 1.245 410 K CB -1.020 31.565 32.500 0.141 0.000 1.368 410 K HN 0.291 nan 8.250 nan 0.000 0.477 411 E N 0.792 121.107 120.200 0.192 0.000 2.302 411 E HA 0.353 4.703 4.350 0.000 0.000 0.263 411 E C -0.858 175.800 176.600 0.096 0.000 0.897 411 E CA -0.366 56.077 56.400 0.070 0.000 0.809 411 E CB 1.929 31.636 29.700 0.012 0.000 1.270 411 E HN 0.084 nan 8.360 nan 0.000 0.410 412 K N 0.727 121.185 120.400 0.097 0.000 2.433 412 K HA 0.654 4.974 4.320 0.000 0.000 0.252 412 K C -0.742 175.895 176.600 0.062 0.000 1.015 412 K CA -0.921 55.438 56.287 0.120 0.000 0.860 412 K CB 2.118 34.757 32.500 0.232 0.000 1.359 412 K HN 0.486 nan 8.250 nan 0.000 0.452 413 S N 0.262 116.013 115.700 0.085 0.000 2.541 413 S HA 0.751 5.221 4.470 0.000 0.000 0.271 413 S C -0.952 173.732 174.600 0.140 0.000 1.133 413 S CA -0.977 57.240 58.200 0.028 0.000 0.876 413 S CB 0.737 63.898 63.200 -0.064 0.000 1.105 413 S HN 0.582 nan 8.310 nan 0.000 0.470 414 F N -0.948 118.998 119.950 -0.007 0.000 2.664 414 F HA 0.938 5.465 4.527 0.000 0.000 0.329 414 F C -0.776 175.030 175.800 0.011 0.000 1.090 414 F CA -0.905 57.104 58.000 0.015 0.000 0.978 414 F CB 1.299 40.322 39.000 0.039 0.000 1.378 414 F HN 0.527 nan 8.300 nan 0.000 0.495 415 T N 2.163 116.823 114.554 0.177 0.000 2.861 415 T HA 0.589 4.939 4.350 0.000 0.000 0.287 415 T C -0.709 174.107 174.700 0.193 0.000 1.003 415 T CA -0.426 61.709 62.100 0.059 0.000 0.977 415 T CB 1.468 70.362 68.868 0.044 0.000 0.996 415 T HN 0.534 nan 8.240 nan 0.000 0.448 416 I N 3.098 123.750 120.570 0.137 0.000 2.339 416 I HA 0.497 4.667 4.170 0.000 0.000 0.290 416 I C 0.025 176.178 176.117 0.060 0.000 0.994 416 I CA -0.656 60.743 61.300 0.166 0.000 1.191 416 I CB 1.295 39.445 38.000 0.251 0.000 1.343 416 I HN 0.315 nan 8.210 nan 0.000 0.458 417 K N 8.468 128.881 120.400 0.023 0.000 2.482 417 K HA 0.550 4.870 4.320 0.000 0.000 0.251 417 K C -2.851 173.712 176.600 -0.062 0.000 0.936 417 K CA -1.733 54.553 56.287 -0.003 0.000 0.791 417 K CB 2.653 35.172 32.500 0.032 0.000 1.213 417 K HN 0.118 nan 8.250 nan 0.000 0.428 418 P HA 0.043 nan 4.420 nan 0.000 0.275 418 P C -0.685 176.635 177.300 0.033 0.000 1.227 418 P CA -0.560 62.433 63.100 -0.179 0.000 0.781 418 P CB 0.826 32.178 31.700 -0.580 0.000 0.906 419 V N 3.233 123.172 119.914 0.041 0.000 2.529 419 V HA 0.284 4.404 4.120 0.000 0.000 0.292 419 V C 1.707 177.945 176.094 0.241 0.000 1.028 419 V CA 1.852 64.214 62.300 0.104 0.000 1.074 419 V CB -0.455 31.396 31.823 0.048 0.000 0.958 419 V HN 1.042 nan 8.190 nan 0.000 0.481 420 G N 4.608 113.524 108.800 0.194 0.000 2.241 420 G HA2 -0.250 3.710 3.960 0.000 0.000 0.244 420 G HA3 -0.250 3.710 3.960 0.000 0.000 0.244 420 G C -0.082 174.895 174.900 0.128 0.000 0.998 420 G CA -0.197 44.994 45.100 0.153 0.000 0.621 420 G HN 0.501 nan 8.290 nan 0.000 0.519 421 F N 1.391 121.356 119.950 0.026 0.000 2.394 421 F HA 0.580 5.107 4.527 0.000 0.000 0.340 421 F C 1.592 177.404 175.800 0.021 0.000 1.105 421 F CA -0.487 57.530 58.000 0.028 0.000 1.124 421 F CB 1.477 40.495 39.000 0.029 0.000 1.145 421 F HN -0.079 nan 8.300 nan 0.000 0.505 422 K N 0.402 120.889 120.400 0.146 0.000 2.217 422 K HA -0.049 4.271 4.320 0.000 0.000 0.202 422 K C -0.157 176.511 176.600 0.114 0.000 1.051 422 K CA 0.730 57.076 56.287 0.098 0.000 0.952 422 K CB -0.150 32.380 32.500 0.050 0.000 0.736 422 K HN 0.622 nan 8.250 nan 0.000 0.453 423 D N 0.795 121.294 120.400 0.165 0.000 2.368 423 D HA 0.109 4.749 4.640 0.000 0.000 0.240 423 D C 0.058 176.416 176.300 0.096 0.000 1.169 423 D CA 0.306 54.383 54.000 0.128 0.000 0.906 423 D CB 0.919 41.816 40.800 0.162 0.000 1.187 423 D HN 0.106 nan 8.370 nan 0.000 0.435 424 S N 0.013 115.745 115.700 0.053 0.000 2.611 424 S HA 0.496 4.966 4.470 0.000 0.000 0.268 424 S C -1.875 172.730 174.600 0.008 0.000 1.156 424 S CA -1.129 57.088 58.200 0.028 0.000 0.817 424 S CB 0.781 63.997 63.200 0.026 0.000 1.122 424 S HN 0.338 nan 8.310 nan 0.000 0.466 425 L N 1.689 122.911 121.223 -0.001 0.000 2.280 425 L HA 0.650 4.990 4.340 0.000 0.000 0.287 425 L C -1.107 175.698 176.870 -0.109 0.000 1.023 425 L CA -0.758 54.061 54.840 -0.035 0.000 0.819 425 L CB 0.518 42.584 42.059 0.011 0.000 1.212 425 L HN 0.766 nan 8.230 nan 0.000 0.420 426 I N 6.169 126.651 120.570 -0.147 0.000 2.312 426 I HA 0.245 4.415 4.170 0.000 0.000 0.291 426 I C -0.542 175.363 176.117 -0.354 0.000 1.031 426 I CA -0.609 60.558 61.300 -0.222 0.000 1.293 426 I CB 1.246 39.157 38.000 -0.148 0.000 1.403 426 I HN 0.282 nan 8.210 nan 0.000 0.484 427 V N 7.045 126.588 119.914 -0.618 0.000 2.333 427 V HA 0.207 4.327 4.120 0.000 0.000 0.274 427 V C 0.050 175.791 176.094 -0.588 0.000 1.028 427 V CA -0.677 61.168 62.300 -0.759 0.000 0.851 427 V CB 0.942 32.008 31.823 -1.261 0.000 1.000 427 V HN 0.684 nan 8.190 nan 0.000 0.456 428 Q N 3.582 123.163 119.800 -0.366 0.000 2.314 428 Q HA 0.492 4.832 4.340 0.000 0.000 0.257 428 Q C -0.767 175.088 176.000 -0.242 0.000 0.975 428 Q CA -0.347 55.309 55.803 -0.246 0.000 0.933 428 Q CB 1.977 30.604 28.738 -0.184 0.000 1.195 428 Q HN 0.607 nan 8.270 nan 0.000 0.426 429 V N 2.831 122.615 119.914 -0.217 0.000 2.435 429 V HA 0.395 4.515 4.120 0.000 0.000 0.290 429 V C 0.057 175.864 176.094 -0.478 0.000 1.030 429 V CA -0.507 61.594 62.300 -0.332 0.000 0.881 429 V CB 1.818 33.458 31.823 -0.306 0.000 0.983 429 V HN 0.740 nan 8.190 nan 0.000 0.445 430 T N 4.873 119.116 114.554 -0.518 0.000 2.856 430 T HA 0.641 4.991 4.350 0.000 0.000 0.283 430 T C -0.755 173.600 174.700 -0.575 0.000 1.008 430 T CA -0.130 61.706 62.100 -0.439 0.000 0.997 430 T CB 0.994 69.738 68.868 -0.208 0.000 0.992 430 T HN 0.331 nan 8.240 nan 0.000 0.454 431 F N 1.960 121.902 119.950 -0.014 0.000 2.325 431 F HA 0.316 4.843 4.527 0.000 0.000 0.369 431 F C 0.478 176.262 175.800 -0.027 0.000 1.095 431 F CA -1.088 56.901 58.000 -0.018 0.000 1.082 431 F CB 0.823 39.814 39.000 -0.014 0.000 1.289 431 F HN 0.448 nan 8.300 nan 0.000 0.462 432 D N 2.741 123.199 120.400 0.096 0.000 2.441 432 D HA 0.241 4.881 4.640 0.000 0.000 0.221 432 D C 0.109 176.428 176.300 0.031 0.000 1.156 432 D CA -0.054 53.967 54.000 0.036 0.000 0.896 432 D CB 0.499 41.293 40.800 -0.009 0.000 1.028 432 D HN 0.553 nan 8.370 nan 0.000 0.509 433 c N 2.692 121.308 118.600 0.026 0.000 3.065 433 c HA 0.251 4.821 4.570 0.000 0.000 0.285 433 c C 0.353 174.422 174.090 -0.034 0.000 1.257 433 c CA -0.413 55.915 56.329 -0.001 0.000 1.691 433 c CB -0.535 41.975 42.510 0.000 0.000 2.089 433 c HN 0.544 nan 8.230 nan 0.000 0.630 434 D N -0.024 120.356 120.400 -0.035 0.000 2.388 434 D HA 0.395 5.035 4.640 0.000 0.000 0.254 434 D C -0.215 176.048 176.300 -0.061 0.000 1.111 434 D CA -0.110 53.855 54.000 -0.059 0.000 0.993 434 D CB 0.696 41.467 40.800 -0.048 0.000 1.118 434 D HN 0.216 nan 8.370 nan 0.000 0.502 435 c N -0.019 118.530 118.600 -0.084 0.000 2.358 435 c HA 0.626 5.196 4.570 0.000 0.000 0.354 435 c C 1.865 175.929 174.090 -0.043 0.000 1.183 435 c CA -0.552 55.738 56.329 -0.066 0.000 2.150 435 c CB 0.956 43.399 42.510 -0.112 0.000 2.361 435 c HN 0.754 nan 8.230 nan 0.000 0.535 436 A N 0.366 123.177 122.820 -0.015 0.000 1.969 436 A HA -0.139 4.181 4.320 0.000 0.000 0.218 436 A C 1.937 179.517 177.584 -0.007 0.000 1.169 436 A CA 2.114 54.148 52.037 -0.005 0.000 0.635 436 A CB -0.895 18.112 19.000 0.012 0.000 0.810 436 A HN 1.122 nan 8.150 nan 0.000 0.445 437 c N -1.381 117.215 118.600 -0.008 0.000 2.456 437 c HA 0.019 4.589 4.570 0.000 0.000 0.279 437 c C 2.305 176.374 174.090 -0.035 0.000 1.427 437 c CA 0.606 56.930 56.329 -0.008 0.000 1.778 437 c CB -1.683 40.833 42.510 0.009 0.000 1.842 437 c HN 0.634 nan 8.230 nan 0.000 0.531 438 Q N 1.515 121.280 119.800 -0.058 0.000 2.291 438 Q HA -0.021 4.319 4.340 0.000 0.000 0.205 438 Q C 2.603 178.581 176.000 -0.035 0.000 0.970 438 Q CA 1.480 57.244 55.803 -0.064 0.000 0.876 438 Q CB -0.233 28.456 28.738 -0.082 0.000 0.935 438 Q HN 0.858 nan 8.270 nan 0.000 0.455 439 A N 0.944 123.750 122.820 -0.023 0.000 1.902 439 A HA -0.171 4.149 4.320 0.000 0.000 0.217 439 A C 1.082 178.664 177.584 -0.003 0.000 1.181 439 A CA 0.980 53.010 52.037 -0.011 0.000 0.623 439 A CB -0.151 18.844 19.000 -0.007 0.000 0.818 439 A HN 0.225 nan 8.150 nan 0.000 0.443 440 Q N -0.021 119.780 119.800 0.001 0.000 2.837 440 Q HA 0.576 4.916 4.340 0.000 0.000 0.235 440 Q C 0.925 176.935 176.000 0.016 0.000 1.348 440 Q CA 0.381 56.193 55.803 0.014 0.000 0.990 440 Q CB 0.508 29.260 28.738 0.023 0.000 1.570 440 Q HN 0.510 nan 8.270 nan 0.000 0.575 441 A N 2.245 125.074 122.820 0.015 0.000 1.874 441 A HA -0.073 4.247 4.320 0.000 0.000 0.214 441 A C 0.248 177.865 177.584 0.054 0.000 1.189 441 A CA 0.379 52.425 52.037 0.016 0.000 0.615 441 A CB 0.040 19.045 19.000 0.009 0.000 0.830 441 A HN 0.723 nan 8.150 nan 0.000 0.443 442 E N -1.471 118.763 120.200 0.058 0.000 2.414 442 E HA -0.157 4.193 4.350 0.000 0.000 0.173 442 E C -1.941 174.710 176.600 0.085 0.000 1.551 442 E CA 0.192 56.638 56.400 0.075 0.000 0.661 442 E CB -1.368 28.403 29.700 0.119 0.000 1.108 442 E HN 0.403 nan 8.360 nan 0.000 0.365 443 P HA -0.201 nan 4.420 nan 0.000 0.216 443 P C 0.327 177.667 177.300 0.067 0.000 1.154 443 P CA 1.338 64.470 63.100 0.053 0.000 0.865 443 P CB 0.171 31.892 31.700 0.036 0.000 0.789 444 N N -1.041 117.699 118.700 0.066 0.000 2.454 444 N HA -0.003 4.737 4.740 0.000 0.000 0.254 444 N C 1.439 177.012 175.510 0.106 0.000 1.228 444 N CA 0.393 53.488 53.050 0.075 0.000 0.900 444 N CB 0.213 38.743 38.487 0.071 0.000 1.089 444 N HN 0.104 nan 8.380 nan 0.000 0.449 445 S N 1.946 117.705 115.700 0.098 0.000 2.335 445 S HA -0.200 4.270 4.470 0.000 0.000 0.216 445 S C 1.050 175.724 174.600 0.123 0.000 1.032 445 S CA 1.736 60.002 58.200 0.109 0.000 1.000 445 S CB -0.493 62.749 63.200 0.070 0.000 0.928 445 S HN 0.864 nan 8.310 nan 0.000 0.434 446 H N 0.866 119.913 119.070 -0.040 0.000 4.891 446 H HA -0.252 4.305 4.556 0.000 0.000 0.059 446 H C 1.666 176.920 175.328 -0.123 0.000 0.587 446 H CA 2.306 58.299 56.048 -0.092 0.000 0.970 446 H CB -1.307 28.373 29.762 -0.137 0.000 0.535 446 H HN 0.418 nan 8.280 nan 0.000 0.802 447 R N -0.574 119.885 120.500 -0.068 0.000 2.210 447 R HA 0.186 4.526 4.340 0.000 0.000 0.203 447 R C 2.093 178.377 176.300 -0.026 0.000 1.010 447 R CA 0.897 56.925 56.100 -0.121 0.000 1.008 447 R CB 0.233 30.356 30.300 -0.296 0.000 0.923 447 R HN 0.426 nan 8.270 nan 0.000 0.469 448 c N 0.162 118.777 118.600 0.026 0.000 2.631 448 c HA 0.154 4.724 4.570 0.000 0.000 0.283 448 c C 0.682 174.781 174.090 0.015 0.000 1.295 448 c CA -0.313 56.046 56.329 0.050 0.000 1.697 448 c CB -0.579 41.983 42.510 0.087 0.000 2.128 448 c HN 0.518 nan 8.230 nan 0.000 0.503 449 N N 1.610 120.314 118.700 0.006 0.000 2.714 449 N HA -0.140 4.600 4.740 0.000 0.000 0.250 449 N C -0.439 175.071 175.510 0.001 0.000 1.117 449 N CA 0.995 54.039 53.050 -0.009 0.000 0.719 449 N CB -1.685 36.779 38.487 -0.039 0.000 1.081 449 N HN 0.635 nan 8.380 nan 0.000 0.557 450 N N -0.408 118.301 118.700 0.014 0.000 2.238 450 N HA 0.319 5.059 4.740 0.000 0.000 0.235 450 N C 1.027 176.548 175.510 0.018 0.000 1.209 450 N CA 0.661 53.720 53.050 0.015 0.000 0.879 450 N CB 0.615 39.114 38.487 0.019 0.000 1.136 450 N HN 0.438 nan 8.380 nan 0.000 0.517 451 G N 0.985 109.797 108.800 0.020 0.000 2.160 451 G HA2 -0.317 3.643 3.960 0.000 0.000 0.244 451 G HA3 -0.317 3.643 3.960 0.000 0.000 0.244 451 G C 0.773 175.689 174.900 0.028 0.000 1.022 451 G CA 0.402 45.515 45.100 0.021 0.000 0.741 451 G HN 0.304 nan 8.290 nan 0.000 0.508 452 N N 0.562 119.284 118.700 0.038 0.000 2.240 452 N HA 0.432 5.172 4.740 0.000 0.000 0.187 452 N C 1.493 177.034 175.510 0.051 0.000 1.042 452 N CA 2.104 55.182 53.050 0.046 0.000 0.861 452 N CB -0.305 38.218 38.487 0.061 0.000 1.026 452 N HN 1.794 nan 8.380 nan 0.000 0.441 453 G N 0.194 109.032 108.800 0.065 0.000 2.716 453 G HA2 0.108 4.068 3.960 0.000 0.000 0.686 453 G HA3 0.108 4.068 3.960 0.000 0.000 0.686 453 G C -0.421 174.531 174.900 0.088 0.000 1.337 453 G CA 0.118 45.259 45.100 0.070 0.000 0.829 453 G HN 1.179 nan 8.290 nan 0.000 0.599 454 T N -2.778 111.837 114.554 0.102 0.000 0.561 454 T HA 0.106 4.456 4.350 0.000 0.000 0.771 454 T C -0.496 174.313 174.700 0.181 0.000 0.992 454 T CA 1.103 63.269 62.100 0.110 0.000 4.065 454 T CB -1.238 67.663 68.868 0.054 0.000 2.296 454 T HN 2.208 nan 8.240 nan 0.000 0.396 455 F N 4.194 124.163 119.950 0.033 0.000 2.443 455 F HA 0.524 5.051 4.527 0.000 0.000 0.369 455 F C 0.109 175.932 175.800 0.037 0.000 1.090 455 F CA -0.692 57.334 58.000 0.044 0.000 1.129 455 F CB 1.048 40.081 39.000 0.053 0.000 1.367 455 F HN 0.842 nan 8.300 nan 0.000 0.465 456 E N 3.039 123.057 120.200 -0.303 0.000 2.187 456 E HA 0.458 4.808 4.350 0.000 0.000 0.268 456 E C 0.061 176.474 176.600 -0.311 0.000 0.896 456 E CA -0.982 55.273 56.400 -0.243 0.000 0.766 456 E CB 1.177 30.793 29.700 -0.140 0.000 1.142 456 E HN 0.664 nan 8.360 nan 0.000 0.408 457 c N 3.034 121.518 118.600 -0.192 0.000 4.356 457 c HA -0.070 4.500 4.570 0.000 0.000 0.296 457 c C 1.248 175.346 174.090 0.013 0.000 1.424 457 c CA 0.598 56.925 56.329 -0.004 0.000 2.000 457 c CB -2.531 40.023 42.510 0.074 0.000 1.262 457 c HN 1.510 nan 8.230 nan 0.000 0.789 458 G N -1.585 106.972 108.800 -0.405 0.000 2.341 458 G HA2 0.181 4.141 3.960 0.000 0.000 0.278 458 G HA3 0.181 4.141 3.960 0.000 0.000 0.278 458 G C -0.477 174.270 174.900 -0.255 0.000 1.111 458 G CA 0.475 45.365 45.100 -0.350 0.000 0.982 458 G HN 2.139 nan 8.290 nan 0.000 0.502 459 V N -0.617 118.948 119.914 -0.581 0.000 3.108 459 V HA 0.615 4.735 4.120 0.000 0.000 0.287 459 V C 0.386 176.467 176.094 -0.022 0.000 1.436 459 V CA -0.224 62.021 62.300 -0.091 0.000 1.001 459 V CB 1.571 33.449 31.823 0.091 0.000 1.141 459 V HN 0.773 nan 8.190 nan 0.000 0.443 460 c N 3.978 122.673 118.600 0.158 0.000 2.478 460 c HA 0.663 5.233 4.570 0.000 0.000 0.379 460 c C 0.989 175.133 174.090 0.091 0.000 1.470 460 c CA -0.709 55.723 56.329 0.172 0.000 2.066 460 c CB 0.785 43.402 42.510 0.178 0.000 2.001 460 c HN 0.937 nan 8.230 nan 0.000 0.550 461 R N 0.000 120.547 120.500 0.079 0.000 2.786 461 R HA 0.000 4.340 4.340 0.000 0.000 0.208 461 R CA 0.000 56.130 56.100 0.049 0.000 0.921 461 R CB 0.000 30.326 30.300 0.043 0.000 0.687 461 R HN 0.000 nan 8.270 nan 0.000 0.535