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 1kah_1_B DATA FIRST_RESID 2 DATA SEQUENCE SFNTIIDWNS CTAEQQRQLL XRPAISASES ITRTVNDILD NVKARGDEAL DATA SEQUENCE REYSAKFDKT TVTALKVSAE EIAAASERLS DELKQAXAVA VKNIETFHTA DATA SEQUENCE QKLPPVDVET QPGVRCQQVT RPVASVGLYI PGGSAPLFST VLXLATPASI DATA SEQUENCE AGCKKVVLCS PPPIADEILY AAQLCGVQDV FNVGGAQAIA ALAFGTESVP DATA SEQUENCE KVDKIFGPGN AFVTEAKRQV SQRLDGAAID XPAGPSEVLV IADSGATPDF DATA SEQUENCE VASDLLSQAE HGPDSQVILL TPAADXARRV AEAVERQLAE LPRAETARQA DATA SEQUENCE LNASRLIVTK DLAQCVEISN QYGPEHLIIQ TRNARELVDS ITSAGSVFLG DATA SEQUENCE DWSPESAGDY ASGTNHVLPT YGYTATCSSL GLADFQKRXT VQELSKEGFS DATA SEQUENCE ALASTIETLA AAERLTAHKN AVTLRVNALK EQA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.602 174.600 0.003 0.000 1.055 2 S CA 0.000 58.201 58.200 0.002 0.000 1.107 2 S CB 0.000 nan 63.200 nan 0.000 0.593 3 F N 0.242 120.193 119.950 0.003 0.000 3.569 3 F HA 0.704 5.231 4.527 0.000 0.000 0.328 3 F C -0.367 175.434 175.800 0.003 0.000 1.077 3 F CA -0.646 57.356 58.000 0.003 0.000 0.832 3 F CB -0.082 nan 39.000 nan 0.000 1.588 3 F HN 0.469 nan 8.300 nan 0.000 0.482 4 N N -0.471 118.232 118.700 0.004 0.000 2.443 4 N HA 0.590 5.330 4.740 0.000 0.000 0.294 4 N C 0.953 176.464 175.510 0.003 0.000 1.289 4 N CA 0.554 53.607 53.050 0.005 0.000 0.966 4 N CB 1.769 40.261 38.487 0.008 0.000 1.122 4 N HN 0.969 nan 8.380 nan 0.000 0.569 5 T N -2.372 112.185 114.554 0.004 0.000 3.361 5 T HA 0.392 4.742 4.350 0.000 0.000 0.241 5 T C 0.092 174.794 174.700 0.003 0.000 0.998 5 T CA -0.010 62.091 62.100 0.002 0.000 1.215 5 T CB 0.555 69.424 68.868 0.002 0.000 1.196 5 T HN 0.229 nan 8.240 nan 0.000 0.376 6 I N 0.888 121.463 120.570 0.008 0.000 3.004 6 I HA 0.526 4.696 4.170 0.000 0.000 0.305 6 I C -1.568 174.564 176.117 0.026 0.000 1.312 6 I CA -1.320 59.988 61.300 0.014 0.000 0.992 6 I CB 2.321 40.328 38.000 0.011 0.000 1.282 6 I HN 0.369 nan 8.210 nan 0.000 0.449 7 I N 1.835 122.431 120.570 0.043 0.000 2.436 7 I HA 0.256 4.426 4.170 0.000 0.000 0.289 7 I C -0.648 175.527 176.117 0.096 0.000 1.010 7 I CA -0.414 60.926 61.300 0.067 0.000 1.098 7 I CB 2.108 40.167 38.000 0.098 0.000 1.266 7 I HN 0.498 nan 8.210 nan 0.000 0.434 8 D N 6.093 126.542 120.400 0.081 0.000 2.411 8 D HA 0.029 4.669 4.640 0.000 0.000 0.225 8 D C 0.920 177.306 176.300 0.143 0.000 1.156 8 D CA -0.272 53.788 54.000 0.100 0.000 0.874 8 D CB 0.824 41.657 40.800 0.054 0.000 1.034 8 D HN 0.550 nan 8.370 nan 0.000 0.502 9 W N 4.405 125.697 121.300 -0.015 0.000 2.290 9 W HA -0.292 4.368 4.660 -0.000 0.000 0.328 9 W C 0.818 177.332 176.519 -0.010 0.000 1.272 9 W CA 1.100 58.437 57.345 -0.013 0.000 1.262 9 W CB -0.076 29.376 29.460 -0.014 0.000 1.151 9 W HN 0.495 nan 8.180 nan 0.000 0.473 10 N N 0.149 118.908 118.700 0.098 0.000 2.550 10 N HA -0.092 4.648 4.740 0.000 0.000 0.186 10 N C 1.542 177.007 175.510 -0.076 0.000 1.110 10 N CA 1.145 54.176 53.050 -0.032 0.000 0.912 10 N CB -0.212 38.315 38.487 0.067 0.000 0.968 10 N HN 0.044 nan 8.380 nan 0.000 0.448 11 S N -0.050 115.616 115.700 -0.056 0.000 2.501 11 S HA 0.088 4.558 4.470 0.000 0.000 0.220 11 S C 0.952 175.493 174.600 -0.100 0.000 0.997 11 S CA -0.186 57.980 58.200 -0.056 0.000 0.919 11 S CB 0.346 63.533 63.200 -0.021 0.000 0.778 11 S HN 0.319 nan 8.310 nan 0.000 0.523 12 C N 3.023 122.221 119.300 -0.170 0.000 2.595 12 C HA 0.459 4.919 4.460 0.000 0.000 0.384 12 C C 1.379 176.227 174.990 -0.237 0.000 1.289 12 C CA -0.872 58.018 59.018 -0.213 0.000 2.372 12 C CB 0.447 27.999 27.740 -0.313 0.000 2.593 12 C HN 0.578 nan 8.230 nan 0.000 0.639 13 T N 0.154 114.596 114.554 -0.187 0.000 2.828 13 T HA 0.406 4.756 4.350 0.000 0.000 0.290 13 T C 1.060 175.637 174.700 -0.204 0.000 1.019 13 T CA -0.004 62.001 62.100 -0.159 0.000 1.031 13 T CB 0.964 69.768 68.868 -0.106 0.000 1.001 13 T HN 0.818 nan 8.240 nan 0.000 0.531 14 A N 0.206 122.931 122.820 -0.159 0.000 1.986 14 A HA -0.137 4.183 4.320 0.000 0.000 0.220 14 A C 2.285 179.792 177.584 -0.129 0.000 1.171 14 A CA 2.013 53.960 52.037 -0.149 0.000 0.640 14 A CB -1.056 17.891 19.000 -0.088 0.000 0.811 14 A HN 1.043 nan 8.150 nan 0.000 0.451 15 E N -0.356 119.783 120.200 -0.102 0.000 2.046 15 E HA -0.221 4.129 4.350 0.000 0.000 0.190 15 E C 2.127 178.676 176.600 -0.085 0.000 0.982 15 E CA 1.125 57.480 56.400 -0.074 0.000 0.800 15 E CB -0.206 29.461 29.700 -0.054 0.000 0.756 15 E HN 0.777 nan 8.360 nan 0.000 0.449 16 Q N 0.217 119.948 119.800 -0.114 0.000 2.084 16 Q HA -0.212 4.128 4.340 0.000 0.000 0.202 16 Q C 2.298 178.205 176.000 -0.154 0.000 0.978 16 Q CA 1.635 57.370 55.803 -0.113 0.000 0.844 16 Q CB -0.123 28.541 28.738 -0.124 0.000 0.898 16 Q HN 0.404 nan 8.270 nan 0.000 0.426 17 Q N 0.380 119.997 119.800 -0.306 0.000 2.124 17 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 17 Q C 1.971 177.926 176.000 -0.075 0.000 0.977 17 Q CA 1.050 56.551 55.803 -0.502 0.000 0.850 17 Q CB -0.056 28.146 28.738 -0.892 0.000 0.901 17 Q HN 0.315 nan 8.270 nan 0.000 0.429 18 R N 0.302 120.779 120.500 -0.039 0.000 2.193 18 R HA -0.062 4.278 4.340 0.000 0.000 0.213 18 R C 1.973 178.307 176.300 0.057 0.000 1.055 18 R CA 0.749 56.876 56.100 0.044 0.000 0.995 18 R CB 0.059 30.368 30.300 0.015 0.000 0.893 18 R HN 0.384 nan 8.270 nan 0.000 0.459 19 Q N 0.298 120.117 119.800 0.031 0.000 2.311 19 Q HA 0.012 4.352 4.340 0.000 0.000 0.203 19 Q C 1.983 178.027 176.000 0.075 0.000 0.954 19 Q CA 0.710 56.537 55.803 0.040 0.000 0.885 19 Q CB 0.185 28.932 28.738 0.015 0.000 0.963 19 Q HN 0.331 nan 8.270 nan 0.000 0.471 20 L N 0.256 121.545 121.223 0.109 0.000 2.095 20 L HA -0.041 4.299 4.340 0.000 0.000 0.204 20 L C 1.256 178.228 176.870 0.169 0.000 1.080 20 L CA 0.368 55.297 54.840 0.148 0.000 0.759 20 L CB -0.203 42.002 42.059 0.242 0.000 0.914 20 L HN 0.148 nan 8.230 nan 0.000 0.439 24 P HA 0.229 nan 4.420 nan 0.000 0.271 24 P C -1.162 176.259 177.300 0.202 0.000 1.238 24 P CA -0.407 62.781 63.100 0.147 0.000 0.794 24 P CB 0.440 32.207 31.700 0.111 0.000 0.959 25 A N 0.933 123.833 122.820 0.133 0.000 2.325 25 A HA 0.670 4.990 4.320 0.000 0.000 0.333 25 A C -0.012 177.633 177.584 0.102 0.000 1.155 25 A CA -0.835 51.288 52.037 0.144 0.000 0.814 25 A CB 0.340 19.387 19.000 0.078 0.000 1.206 25 A HN 0.606 nan 8.150 nan 0.000 0.482 26 I N 0.139 120.775 120.570 0.110 0.000 2.498 26 I HA 0.635 4.805 4.170 0.000 0.000 0.301 26 I C 0.739 176.871 176.117 0.025 0.000 0.984 26 I CA -0.394 60.924 61.300 0.030 0.000 1.204 26 I CB 1.801 39.797 38.000 -0.008 0.000 1.362 26 I HN 0.703 nan 8.210 nan 0.000 0.471 27 S N 4.552 120.251 115.700 -0.002 0.000 2.118 27 S HA 0.641 5.111 4.470 0.000 0.000 0.175 27 S C 0.880 175.473 174.600 -0.011 0.000 1.365 27 S CA 0.325 58.522 58.200 -0.005 0.000 1.837 27 S CB 0.211 63.402 63.200 -0.015 0.000 0.537 27 S HN 1.199 nan 8.310 nan 0.000 0.374 28 A N -0.864 121.941 122.820 -0.025 0.000 2.260 28 A HA 0.540 4.860 4.320 0.000 0.000 0.153 28 A C 0.670 178.226 177.584 -0.048 0.000 1.906 28 A CA 0.884 52.902 52.037 -0.032 0.000 1.444 28 A CB -0.880 18.111 19.000 -0.015 0.000 1.615 28 A HN 1.969 nan 8.150 nan 0.000 0.356 29 S N 1.268 116.945 115.700 -0.039 0.000 3.305 29 S HA -0.213 4.257 4.470 0.000 0.000 0.392 29 S C 0.895 175.475 174.600 -0.033 0.000 0.833 29 S CA 1.454 59.630 58.200 -0.040 0.000 1.355 29 S CB -1.134 62.025 63.200 -0.070 0.000 1.105 29 S HN 1.207 nan 8.310 nan 0.000 0.614 30 E N 2.733 122.925 120.200 -0.014 0.000 2.273 30 E HA -0.196 4.154 4.350 0.000 0.000 0.198 30 E C 1.846 178.448 176.600 0.004 0.000 1.002 30 E CA 1.645 58.042 56.400 -0.005 0.000 0.828 30 E CB -0.520 29.182 29.700 0.003 0.000 0.747 30 E HN 0.959 nan 8.360 nan 0.000 0.491 31 S N 1.412 117.117 115.700 0.007 0.000 2.345 31 S HA -0.140 4.330 4.470 0.000 0.000 0.219 31 S C 2.207 176.831 174.600 0.040 0.000 1.031 31 S CA 0.745 58.964 58.200 0.032 0.000 0.984 31 S CB -0.599 62.627 63.200 0.043 0.000 0.874 31 S HN 0.430 nan 8.310 nan 0.000 0.451 32 I N 1.836 122.396 120.570 -0.017 0.000 2.286 32 I HA -0.184 3.986 4.170 0.000 0.000 0.248 32 I C 2.151 178.234 176.117 -0.056 0.000 1.115 32 I CA 1.622 62.867 61.300 -0.091 0.000 1.392 32 I CB -0.598 37.163 38.000 -0.398 0.000 1.065 32 I HN 0.304 nan 8.210 nan 0.000 0.418 33 T N 0.644 115.167 114.554 -0.051 0.000 2.746 33 T HA -0.228 4.122 4.350 0.000 0.000 0.267 33 T C 1.957 176.668 174.700 0.018 0.000 1.039 33 T CA 1.662 63.746 62.100 -0.025 0.000 1.142 33 T CB -0.281 68.573 68.868 -0.024 0.000 0.866 33 T HN 0.388 nan 8.240 nan 0.000 0.444 34 R N 0.305 120.824 120.500 0.032 0.000 2.092 34 R HA -0.070 4.270 4.340 0.000 0.000 0.231 34 R C 2.488 178.835 176.300 0.078 0.000 1.119 34 R CA 1.480 57.609 56.100 0.048 0.000 0.970 34 R CB -0.414 29.913 30.300 0.044 0.000 0.864 34 R HN 0.244 nan 8.270 nan 0.000 0.440 35 T N 0.229 114.851 114.554 0.113 0.000 2.674 35 T HA -0.116 4.234 4.350 0.000 0.000 0.265 35 T C 1.752 176.548 174.700 0.159 0.000 1.039 35 T CA 1.620 63.822 62.100 0.169 0.000 1.150 35 T CB -0.142 68.900 68.868 0.289 0.000 0.864 35 T HN 0.037 nan 8.240 nan 0.000 0.427 36 V N 2.233 122.243 119.914 0.159 0.000 2.407 36 V HA -0.174 3.946 4.120 0.000 0.000 0.248 36 V C 2.374 178.513 176.094 0.075 0.000 1.055 36 V CA 1.859 64.231 62.300 0.120 0.000 1.049 36 V CB -0.827 31.047 31.823 0.086 0.000 0.662 36 V HN 0.516 nan 8.190 nan 0.000 0.455 37 N N 0.728 119.467 118.700 0.066 0.000 2.084 37 N HA -0.205 4.535 4.740 0.000 0.000 0.190 37 N C 1.507 177.054 175.510 0.062 0.000 1.030 37 N CA 1.929 55.014 53.050 0.057 0.000 0.849 37 N CB -0.228 38.285 38.487 0.043 0.000 1.012 37 N HN 0.427 nan 8.380 nan 0.000 0.423 38 D N -0.042 120.401 120.400 0.070 0.000 2.178 38 D HA -0.080 4.560 4.640 0.000 0.000 0.202 38 D C 1.959 178.320 176.300 0.102 0.000 0.974 38 D CA 0.663 54.710 54.000 0.078 0.000 0.841 38 D CB -0.111 40.743 40.800 0.090 0.000 0.953 38 D HN 0.461 nan 8.370 nan 0.000 0.478 39 I N 0.243 120.863 120.570 0.084 0.000 2.179 39 I HA -0.253 3.917 4.170 0.000 0.000 0.242 39 I C 2.087 178.233 176.117 0.048 0.000 1.088 39 I CA 0.595 61.906 61.300 0.017 0.000 1.357 39 I CB -0.087 37.827 38.000 -0.144 0.000 1.051 39 I HN -0.031 nan 8.210 nan 0.000 0.409 40 L N 0.430 121.707 121.223 0.090 0.000 1.994 40 L HA -0.244 4.096 4.340 0.000 0.000 0.208 40 L C 2.177 179.102 176.870 0.090 0.000 1.071 40 L CA 1.878 56.852 54.840 0.224 0.000 0.745 40 L CB -0.969 41.279 42.059 0.315 0.000 0.892 40 L HN 0.211 nan 8.230 nan 0.000 0.431 41 D N -0.821 119.580 120.400 0.001 0.000 2.123 41 D HA -0.232 4.408 4.640 0.000 0.000 0.196 41 D C 1.953 178.210 176.300 -0.071 0.000 0.992 41 D CA 1.374 55.311 54.000 -0.105 0.000 0.833 41 D CB -0.314 40.453 40.800 -0.056 0.000 0.954 41 D HN 0.482 nan 8.370 nan 0.000 0.455 42 N N 0.330 119.044 118.700 0.025 0.000 2.084 42 N HA -0.144 4.596 4.740 0.000 0.000 0.190 42 N C 1.869 177.418 175.510 0.065 0.000 1.030 42 N CA 1.025 54.112 53.050 0.062 0.000 0.849 42 N CB 0.181 38.768 38.487 0.166 0.000 1.012 42 N HN -0.088 nan 8.380 nan 0.000 0.423 43 V N 1.415 121.395 119.914 0.110 0.000 2.407 43 V HA -0.210 3.910 4.120 0.000 0.000 0.248 43 V C 2.402 178.525 176.094 0.049 0.000 1.055 43 V CA 1.607 63.976 62.300 0.116 0.000 1.049 43 V CB -0.590 31.325 31.823 0.152 0.000 0.662 43 V HN 0.386 nan 8.190 nan 0.000 0.455 44 K N 0.410 120.759 120.400 -0.086 0.000 2.057 44 K HA -0.119 4.201 4.320 0.000 0.000 0.206 44 K C 2.150 178.662 176.600 -0.147 0.000 1.050 44 K CA 1.499 57.637 56.287 -0.248 0.000 0.935 44 K CB -0.263 31.761 32.500 -0.793 0.000 0.715 44 K HN 0.420 nan 8.250 nan 0.000 0.439 45 A N 1.009 123.754 122.820 -0.124 0.000 1.970 45 A HA -0.022 4.298 4.320 0.000 0.000 0.216 45 A C 1.533 179.092 177.584 -0.042 0.000 1.170 45 A CA 0.936 52.925 52.037 -0.080 0.000 0.645 45 A CB -0.064 18.892 19.000 -0.073 0.000 0.816 45 A HN 0.304 nan 8.150 nan 0.000 0.447 46 R N -1.128 119.359 120.500 -0.022 0.000 2.596 46 R HA 0.318 4.658 4.340 0.000 0.000 0.369 46 R C 1.218 177.521 176.300 0.005 0.000 1.042 46 R CA 0.222 56.316 56.100 -0.011 0.000 1.120 46 R CB 0.270 30.561 30.300 -0.016 0.000 1.353 46 R HN 0.511 nan 8.270 nan 0.000 0.564 47 G N 2.166 110.974 108.800 0.013 0.000 2.629 47 G HA2 -0.412 3.548 3.960 0.000 0.000 0.335 47 G HA3 -0.412 3.548 3.960 0.000 0.000 0.335 47 G C 0.473 175.393 174.900 0.033 0.000 1.347 47 G CA 0.909 46.024 45.100 0.024 0.000 0.979 47 G HN 0.293 nan 8.290 nan 0.000 0.534 48 D N 0.340 120.755 120.400 0.025 0.000 2.149 48 D HA -0.068 4.572 4.640 0.000 0.000 0.198 48 D C 2.152 178.468 176.300 0.027 0.000 0.990 48 D CA 1.515 55.534 54.000 0.032 0.000 0.839 48 D CB -0.370 40.450 40.800 0.032 0.000 0.948 48 D HN 0.723 nan 8.370 nan 0.000 0.460 49 E N 0.728 120.936 120.200 0.013 0.000 2.085 49 E HA -0.196 4.154 4.350 0.000 0.000 0.194 49 E C 1.964 178.553 176.600 -0.019 0.000 0.994 49 E CA 1.274 57.671 56.400 -0.004 0.000 0.801 49 E CB -0.003 29.690 29.700 -0.012 0.000 0.743 49 E HN 0.185 nan 8.360 nan 0.000 0.453 50 A N 0.952 123.769 122.820 -0.004 0.000 1.930 50 A HA -0.105 4.215 4.320 0.000 0.000 0.217 50 A C 2.217 179.838 177.584 0.060 0.000 1.175 50 A CA 1.085 53.113 52.037 -0.015 0.000 0.627 50 A CB -0.570 18.467 19.000 0.061 0.000 0.815 50 A HN 0.325 nan 8.150 nan 0.000 0.443 51 L N -1.009 120.287 121.223 0.122 0.000 2.093 51 L HA -0.163 4.177 4.340 0.000 0.000 0.208 51 L C 2.774 179.703 176.870 0.099 0.000 1.085 51 L CA 1.244 56.184 54.840 0.166 0.000 0.755 51 L CB -0.494 41.621 42.059 0.094 0.000 0.904 51 L HN 0.351 nan 8.230 nan 0.000 0.435 52 R N 0.091 120.614 120.500 0.039 0.000 2.148 52 R HA -0.121 4.219 4.340 0.000 0.000 0.227 52 R C 2.024 178.309 176.300 -0.025 0.000 1.103 52 R CA 0.940 57.050 56.100 0.017 0.000 0.983 52 R CB -0.184 30.124 30.300 0.013 0.000 0.874 52 R HN 0.527 nan 8.270 nan 0.000 0.451 53 E N -0.125 120.014 120.200 -0.102 0.000 2.072 53 E HA -0.176 4.174 4.350 0.000 0.000 0.191 53 E C 1.588 178.046 176.600 -0.235 0.000 0.985 53 E CA 1.181 57.463 56.400 -0.197 0.000 0.801 53 E CB -0.104 29.397 29.700 -0.333 0.000 0.750 53 E HN 0.448 nan 8.360 nan 0.000 0.452 54 Y N 0.612 120.815 120.300 -0.163 0.000 2.220 54 Y HA -0.167 4.383 4.550 0.000 0.000 0.291 54 Y C 2.909 178.631 175.900 -0.297 0.000 1.129 54 Y CA 1.044 58.916 58.100 -0.381 0.000 1.161 54 Y CB -0.157 38.017 38.460 -0.478 0.000 0.997 54 Y HN -0.006 nan 8.280 nan 0.000 0.522 55 S N 0.040 115.754 115.700 0.024 0.000 2.400 55 S HA -0.233 4.237 4.470 0.000 0.000 0.232 55 S C 2.175 176.836 174.600 0.102 0.000 1.025 55 S CA 1.000 59.240 58.200 0.067 0.000 0.993 55 S CB -0.513 62.726 63.200 0.065 0.000 0.808 55 S HN 0.449 nan 8.310 nan 0.000 0.478 56 A N 1.522 124.382 122.820 0.067 0.000 1.828 56 A HA -0.076 4.244 4.320 0.000 0.000 0.215 56 A C 2.097 179.764 177.584 0.138 0.000 1.203 56 A CA 1.790 53.872 52.037 0.075 0.000 0.614 56 A CB -0.882 18.135 19.000 0.028 0.000 0.844 56 A HN 0.583 nan 8.150 nan 0.000 0.445 57 K N -1.491 119.023 120.400 0.190 0.000 2.515 57 K HA 0.037 4.357 4.320 0.000 0.000 0.196 57 K C 0.571 177.432 176.600 0.434 0.000 1.038 57 K CA 0.684 57.136 56.287 0.275 0.000 0.967 57 K CB -0.251 32.420 32.500 0.284 0.000 0.780 57 K HN 0.585 nan 8.250 nan 0.000 0.483 58 F N 0.206 120.181 119.950 0.041 0.000 2.678 58 F HA 0.206 4.733 4.527 0.000 0.000 0.305 58 F C -0.094 175.724 175.800 0.032 0.000 1.090 58 F CA -0.806 57.215 58.000 0.036 0.000 1.272 58 F CB 0.741 39.769 39.000 0.046 0.000 1.060 58 F HN -0.104 nan 8.300 nan 0.000 0.576 59 D N -0.801 119.719 120.400 0.200 0.000 2.609 59 D HA 0.163 4.803 4.640 0.000 0.000 0.239 59 D C -0.110 176.239 176.300 0.081 0.000 1.229 59 D CA -0.463 53.608 54.000 0.120 0.000 0.808 59 D CB 1.957 42.828 40.800 0.118 0.000 1.448 59 D HN -0.092 nan 8.370 nan 0.000 0.433 60 K N -0.605 119.830 120.400 0.058 0.000 2.444 60 K HA 0.143 4.463 4.320 0.000 0.000 0.193 60 K C -0.002 176.623 176.600 0.041 0.000 1.024 60 K CA 0.671 56.984 56.287 0.043 0.000 1.077 60 K CB 0.485 33.004 32.500 0.032 0.000 0.833 60 K HN 0.148 nan 8.250 nan 0.000 0.517 61 T N 1.138 115.721 114.554 0.048 0.000 3.160 61 T HA 0.096 4.446 4.350 0.000 0.000 0.346 61 T C -0.773 173.957 174.700 0.050 0.000 1.027 61 T CA -0.674 61.452 62.100 0.043 0.000 1.287 61 T CB 1.175 70.066 68.868 0.038 0.000 0.997 61 T HN -0.068 nan 8.240 nan 0.000 0.518 62 T N 2.484 117.068 114.554 0.049 0.000 2.891 62 T HA 0.088 4.438 4.350 0.000 0.000 0.296 62 T C 0.979 175.707 174.700 0.047 0.000 1.025 62 T CA 0.021 62.151 62.100 0.050 0.000 1.149 62 T CB 0.567 69.458 68.868 0.039 0.000 1.007 62 T HN 0.467 nan 8.240 nan 0.000 0.528 63 V N 4.647 124.593 119.914 0.054 0.000 2.763 63 V HA 0.192 4.313 4.120 0.000 0.000 0.306 63 V C 1.302 177.425 176.094 0.048 0.000 1.059 63 V CA 1.196 63.529 62.300 0.054 0.000 1.138 63 V CB 1.023 32.886 31.823 0.067 0.000 0.940 63 V HN 1.200 nan 8.190 nan 0.000 0.489 64 T N 4.079 118.660 114.554 0.045 0.000 3.535 64 T HA 0.443 4.793 4.350 0.000 0.000 0.223 64 T C 0.810 175.539 174.700 0.048 0.000 0.933 64 T CA 0.383 62.507 62.100 0.040 0.000 1.445 64 T CB -0.358 68.529 68.868 0.032 0.000 1.286 64 T HN 1.349 nan 8.240 nan 0.000 0.436 65 A N 1.510 124.358 122.820 0.047 0.000 2.409 65 A HA 0.614 4.934 4.320 0.000 0.000 0.267 65 A C 1.224 178.856 177.584 0.080 0.000 1.127 65 A CA -0.493 51.578 52.037 0.057 0.000 0.795 65 A CB -0.285 18.738 19.000 0.039 0.000 1.061 65 A HN 0.655 nan 8.150 nan 0.000 0.502 66 L N 1.818 123.113 121.223 0.121 0.000 2.131 66 L HA 0.033 4.373 4.340 0.000 0.000 0.206 66 L C 1.586 178.587 176.870 0.218 0.000 1.087 66 L CA 0.915 55.869 54.840 0.190 0.000 0.767 66 L CB -0.163 42.036 42.059 0.234 0.000 0.917 66 L HN 0.749 nan 8.230 nan 0.000 0.441 67 K N 1.387 121.878 120.400 0.152 0.000 2.316 67 K HA 0.206 4.526 4.320 0.000 0.000 0.289 67 K C -0.549 175.975 176.600 -0.128 0.000 1.070 67 K CA -0.365 55.853 56.287 -0.116 0.000 0.928 67 K CB 1.075 33.512 32.500 -0.105 0.000 1.039 67 K HN -0.209 nan 8.250 nan 0.000 0.480 68 V N 4.554 124.354 119.914 -0.189 0.000 2.599 68 V HA -0.075 4.045 4.120 0.000 0.000 0.300 68 V C 0.620 176.650 176.094 -0.106 0.000 1.034 68 V CA 0.036 62.270 62.300 -0.110 0.000 1.115 68 V CB 0.685 32.445 31.823 -0.105 0.000 0.934 68 V HN 0.983 nan 8.190 nan 0.000 0.485 69 S N 4.652 120.317 115.700 -0.059 0.000 2.593 69 S HA 0.406 4.876 4.470 0.000 0.000 0.269 69 S C 1.277 175.848 174.600 -0.047 0.000 1.334 69 S CA -0.072 58.100 58.200 -0.047 0.000 1.015 69 S CB 1.471 64.656 63.200 -0.025 0.000 0.912 69 S HN 1.042 nan 8.310 nan 0.000 0.541 70 A N 0.783 123.578 122.820 -0.041 0.000 2.015 70 A HA -0.059 4.261 4.320 0.000 0.000 0.219 70 A C 2.120 179.690 177.584 -0.023 0.000 1.163 70 A CA 1.437 53.452 52.037 -0.036 0.000 0.646 70 A CB -0.980 18.001 19.000 -0.031 0.000 0.806 70 A HN 1.040 nan 8.150 nan 0.000 0.448 71 E N 0.368 120.557 120.200 -0.018 0.000 2.072 71 E HA -0.212 4.138 4.350 0.000 0.000 0.190 71 E C 1.647 178.242 176.600 -0.009 0.000 0.982 71 E CA 1.287 57.680 56.400 -0.011 0.000 0.803 71 E CB -0.273 29.422 29.700 -0.008 0.000 0.755 71 E HN 0.715 nan 8.360 nan 0.000 0.453 72 E N 0.485 120.678 120.200 -0.012 0.000 2.150 72 E HA -0.140 4.210 4.350 0.000 0.000 0.193 72 E C 2.183 178.779 176.600 -0.006 0.000 0.985 72 E CA 1.037 57.432 56.400 -0.008 0.000 0.814 72 E CB -0.052 29.642 29.700 -0.011 0.000 0.752 72 E HN 0.431 nan 8.360 nan 0.000 0.466 73 I N 1.109 121.672 120.570 -0.011 0.000 2.233 73 I HA -0.218 3.952 4.170 0.000 0.000 0.243 73 I C 2.544 178.670 176.117 0.016 0.000 1.093 73 I CA 0.880 62.178 61.300 -0.003 0.000 1.380 73 I CB -0.262 37.724 38.000 -0.022 0.000 1.067 73 I HN 0.069 nan 8.210 nan 0.000 0.413 74 A N 0.678 123.503 122.820 0.009 0.000 1.972 74 A HA -0.130 4.190 4.320 0.000 0.000 0.219 74 A C 2.485 180.078 177.584 0.015 0.000 1.169 74 A CA 1.773 53.821 52.037 0.018 0.000 0.635 74 A CB -0.679 18.325 19.000 0.007 0.000 0.810 74 A HN 0.444 nan 8.150 nan 0.000 0.446 75 A N -0.095 122.729 122.820 0.006 0.000 1.872 75 A HA 0.230 4.550 4.320 0.000 0.000 0.214 75 A C 2.519 180.102 177.584 -0.002 0.000 1.187 75 A CA 1.859 53.895 52.037 -0.000 0.000 0.614 75 A CB -1.062 17.937 19.000 -0.002 0.000 0.826 75 A HN 1.019 nan 8.150 nan 0.000 0.442 76 A N -0.552 122.271 122.820 0.005 0.000 1.908 76 A HA -0.147 4.173 4.320 0.000 0.000 0.218 76 A C 2.480 180.062 177.584 -0.004 0.000 1.181 76 A CA 2.324 54.362 52.037 0.002 0.000 0.627 76 A CB -1.099 17.911 19.000 0.016 0.000 0.818 76 A HN 0.615 nan 8.150 nan 0.000 0.445 77 S N -0.482 115.241 115.700 0.038 0.000 2.359 77 S HA -0.267 4.203 4.470 0.000 0.000 0.222 77 S C 2.112 176.675 174.600 -0.063 0.000 1.038 77 S CA 1.904 60.133 58.200 0.050 0.000 1.051 77 S CB -0.459 62.836 63.200 0.159 0.000 0.944 77 S HN 0.635 nan 8.310 nan 0.000 0.433 78 E N 0.885 121.065 120.200 -0.033 0.000 2.160 78 E HA -0.174 4.176 4.350 0.000 0.000 0.195 78 E C 2.065 178.623 176.600 -0.070 0.000 0.991 78 E CA 0.964 57.334 56.400 -0.049 0.000 0.810 78 E CB -0.231 29.454 29.700 -0.026 0.000 0.742 78 E HN 0.561 nan 8.360 nan 0.000 0.466 79 R N -0.127 120.333 120.500 -0.067 0.000 2.280 79 R HA 0.109 4.449 4.340 0.000 0.000 0.207 79 R C 0.843 177.083 176.300 -0.100 0.000 1.043 79 R CA 0.121 56.180 56.100 -0.069 0.000 1.006 79 R CB 0.039 30.310 30.300 -0.049 0.000 0.885 79 R HN 0.161 nan 8.270 nan 0.000 0.467 80 L N 1.338 122.468 121.223 -0.155 0.000 2.399 80 L HA 0.134 4.474 4.340 0.000 0.000 0.266 80 L C 0.813 177.566 176.870 -0.195 0.000 1.114 80 L CA -0.500 54.215 54.840 -0.208 0.000 0.804 80 L CB 1.348 43.198 42.059 -0.349 0.000 1.146 80 L HN 0.078 nan 8.230 nan 0.000 0.451 81 S N -0.443 115.155 115.700 -0.169 0.000 2.603 81 S HA 0.075 4.545 4.470 0.000 0.000 0.268 81 S C 0.436 174.944 174.600 -0.154 0.000 1.317 81 S CA -0.732 57.389 58.200 -0.133 0.000 1.012 81 S CB 1.209 64.350 63.200 -0.098 0.000 0.926 81 S HN 0.569 nan 8.310 nan 0.000 0.539 82 D N 0.678 121.011 120.400 -0.112 0.000 2.178 82 D HA -0.082 4.558 4.640 0.000 0.000 0.202 82 D C 1.718 177.966 176.300 -0.086 0.000 0.974 82 D CA 1.214 55.154 54.000 -0.100 0.000 0.841 82 D CB -0.284 40.477 40.800 -0.064 0.000 0.953 82 D HN 0.858 nan 8.370 nan 0.000 0.478 83 E N 0.108 120.262 120.200 -0.075 0.000 2.038 83 E HA -0.188 4.162 4.350 0.000 0.000 0.195 83 E C 2.031 178.591 176.600 -0.066 0.000 1.000 83 E CA 0.653 57.019 56.400 -0.058 0.000 0.803 83 E CB -0.058 29.612 29.700 -0.050 0.000 0.750 83 E HN 0.121 nan 8.360 nan 0.000 0.448 84 L N 1.440 122.603 121.223 -0.100 0.000 2.056 84 L HA -0.134 4.206 4.340 0.000 0.000 0.207 84 L C 1.991 178.781 176.870 -0.134 0.000 1.078 84 L CA 1.824 56.593 54.840 -0.119 0.000 0.749 84 L CB -0.297 41.656 42.059 -0.176 0.000 0.901 84 L HN -0.017 nan 8.230 nan 0.000 0.433 85 K N -0.808 119.472 120.400 -0.200 0.000 2.057 85 K HA -0.183 4.137 4.320 0.000 0.000 0.207 85 K C 2.099 178.699 176.600 0.001 0.000 1.049 85 K CA 1.846 58.020 56.287 -0.188 0.000 0.931 85 K CB -0.198 32.117 32.500 -0.307 0.000 0.714 85 K HN 0.489 nan 8.250 nan 0.000 0.440 86 Q N 0.476 120.266 119.800 -0.017 0.000 2.167 86 Q HA -0.009 4.331 4.340 0.000 0.000 0.202 86 Q C 0.876 176.896 176.000 0.034 0.000 0.970 86 Q CA 0.683 56.496 55.803 0.017 0.000 0.855 86 Q CB -0.060 28.677 28.738 -0.001 0.000 0.911 86 Q HN 0.268 nan 8.270 nan 0.000 0.438 90 V N 1.109 121.065 119.914 0.070 0.000 2.307 90 V HA -0.109 4.011 4.120 0.000 0.000 0.245 90 V C 3.014 179.154 176.094 0.078 0.000 1.045 90 V CA 2.535 64.873 62.300 0.063 0.000 1.024 90 V CB -0.914 30.944 31.823 0.057 0.000 0.651 90 V HN 0.705 nan 8.190 nan 0.000 0.449 91 A N -0.136 122.745 122.820 0.102 0.000 1.883 91 A HA -0.180 4.140 4.320 0.000 0.000 0.217 91 A C 2.374 180.016 177.584 0.097 0.000 1.186 91 A CA 2.233 54.343 52.037 0.121 0.000 0.624 91 A CB -0.734 18.370 19.000 0.173 0.000 0.822 91 A HN 0.341 nan 8.150 nan 0.000 0.444 92 V N 0.260 120.223 119.914 0.081 0.000 2.427 92 V HA -0.249 3.871 4.120 0.000 0.000 0.248 92 V C 2.526 178.646 176.094 0.043 0.000 1.051 92 V CA 2.307 64.635 62.300 0.048 0.000 1.048 92 V CB -0.656 31.183 31.823 0.026 0.000 0.666 92 V HN 0.693 nan 8.190 nan 0.000 0.456 93 K N 0.318 120.747 120.400 0.048 0.000 2.057 93 K HA -0.208 4.112 4.320 0.000 0.000 0.207 93 K C 1.990 178.627 176.600 0.061 0.000 1.049 93 K CA 1.815 58.128 56.287 0.044 0.000 0.931 93 K CB -0.141 32.382 32.500 0.039 0.000 0.714 93 K HN 0.438 nan 8.250 nan 0.000 0.440 94 N N 0.927 119.670 118.700 0.073 0.000 2.216 94 N HA -0.085 4.655 4.740 0.000 0.000 0.183 94 N C 1.889 177.481 175.510 0.135 0.000 1.017 94 N CA 1.030 54.132 53.050 0.088 0.000 0.861 94 N CB -0.132 38.397 38.487 0.070 0.000 0.986 94 N HN 0.260 nan 8.380 nan 0.000 0.428 95 I N 1.204 121.856 120.570 0.136 0.000 2.286 95 I HA -0.211 3.959 4.170 0.000 0.000 0.248 95 I C 2.380 178.641 176.117 0.239 0.000 1.115 95 I CA 1.046 62.474 61.300 0.212 0.000 1.392 95 I CB -0.137 37.929 38.000 0.109 0.000 1.065 95 I HN 0.174 nan 8.210 nan 0.000 0.418 96 E N 0.479 120.748 120.200 0.114 0.000 2.072 96 E HA -0.193 4.157 4.350 0.000 0.000 0.191 96 E C 2.087 178.745 176.600 0.097 0.000 0.985 96 E CA 1.752 58.195 56.400 0.072 0.000 0.801 96 E CB 0.111 29.823 29.700 0.020 0.000 0.750 96 E HN 0.374 nan 8.360 nan 0.000 0.452 97 T N 0.554 115.171 114.554 0.106 0.000 2.746 97 T HA -0.167 4.183 4.350 0.000 0.000 0.267 97 T C 1.376 176.155 174.700 0.132 0.000 1.039 97 T CA 1.194 63.353 62.100 0.097 0.000 1.142 97 T CB -0.374 68.550 68.868 0.093 0.000 0.866 97 T HN 0.200 nan 8.240 nan 0.000 0.444 98 F N 1.671 121.626 119.950 0.008 0.000 2.113 98 F HA -0.094 4.433 4.527 0.000 0.000 0.297 98 F C 2.454 178.182 175.800 -0.120 0.000 1.103 98 F CA 1.254 59.216 58.000 -0.063 0.000 1.248 98 F CB -0.542 38.400 39.000 -0.097 0.000 0.999 98 F HN 0.289 nan 8.300 nan 0.000 0.475 99 H N -1.271 117.711 119.070 -0.146 0.000 2.423 99 H HA -0.081 4.475 4.556 0.000 0.000 0.297 99 H C 2.124 177.331 175.328 -0.202 0.000 1.075 99 H CA 1.695 57.594 56.048 -0.249 0.000 1.342 99 H CB -0.496 29.186 29.762 -0.135 0.000 1.395 99 H HN 0.240 nan 8.280 nan 0.000 0.530 100 T N 0.759 115.299 114.554 -0.024 0.000 2.833 100 T HA -0.064 4.286 4.350 0.000 0.000 0.269 100 T C 2.102 176.753 174.700 -0.082 0.000 1.054 100 T CA 0.909 62.985 62.100 -0.040 0.000 1.135 100 T CB -0.232 68.626 68.868 -0.015 0.000 0.869 100 T HN 0.414 nan 8.240 nan 0.000 0.466 101 A N 0.815 123.557 122.820 -0.129 0.000 2.239 101 A HA 0.005 4.325 4.320 0.000 0.000 0.209 101 A C 1.896 179.362 177.584 -0.196 0.000 1.171 101 A CA 0.714 52.666 52.037 -0.140 0.000 0.768 101 A CB -0.338 18.589 19.000 -0.122 0.000 0.790 101 A HN 0.546 nan 8.150 nan 0.000 0.478 102 Q N -0.180 119.476 119.800 -0.241 0.000 2.319 102 Q HA 0.105 4.445 4.340 0.000 0.000 0.202 102 Q C -0.334 175.600 176.000 -0.110 0.000 0.896 102 Q CA -0.113 55.560 55.803 -0.216 0.000 0.942 102 Q CB 0.271 28.834 28.738 -0.292 0.000 1.083 102 Q HN 0.474 nan 8.270 nan 0.000 0.510 103 K N 1.650 122.001 120.400 -0.081 0.000 2.436 103 K HA 0.055 4.375 4.320 0.000 0.000 0.282 103 K C -0.322 176.256 176.600 -0.037 0.000 1.044 103 K CA 0.126 56.386 56.287 -0.045 0.000 1.028 103 K CB 0.477 32.955 32.500 -0.036 0.000 0.919 103 K HN 0.156 nan 8.250 nan 0.000 0.474 104 L N 5.591 126.800 121.223 -0.024 0.000 2.490 104 L HA 0.082 4.422 4.340 0.000 0.000 0.274 104 L C -1.725 175.136 176.870 -0.015 0.000 1.201 104 L CA -1.735 53.093 54.840 -0.019 0.000 0.869 104 L CB -0.234 41.819 42.059 -0.009 0.000 1.123 104 L HN 0.381 nan 8.230 nan 0.000 0.484 105 P HA 0.190 nan 4.420 nan 0.000 0.274 105 P C -2.354 174.942 177.300 -0.006 0.000 1.237 105 P CA -0.992 62.102 63.100 -0.010 0.000 0.793 105 P CB -0.090 31.604 31.700 -0.010 0.000 0.977 106 P HA 0.021 nan 4.420 nan 0.000 0.268 106 P C -1.001 176.298 177.300 -0.001 0.000 1.204 106 P CA 0.265 63.364 63.100 -0.002 0.000 0.768 106 P CB 0.453 32.152 31.700 -0.001 0.000 0.842 107 V N 3.896 123.811 119.914 0.001 0.000 2.334 107 V HA 0.309 4.429 4.120 0.000 0.000 0.281 107 V C -0.085 176.011 176.094 0.003 0.000 1.016 107 V CA 0.068 62.369 62.300 0.002 0.000 0.832 107 V CB 1.015 32.840 31.823 0.002 0.000 0.999 107 V HN 0.610 nan 8.190 nan 0.000 0.439 108 D N 3.968 124.370 120.400 0.003 0.000 2.375 108 D HA 0.479 5.119 4.640 0.000 0.000 0.241 108 D C -1.511 174.792 176.300 0.005 0.000 1.361 108 D CA -0.022 53.980 54.000 0.004 0.000 0.995 108 D CB 2.036 42.838 40.800 0.004 0.000 1.312 108 D HN 0.364 nan 8.370 nan 0.000 0.576 109 V N 2.649 122.567 119.914 0.006 0.000 3.049 109 V HA 0.495 4.615 4.120 0.000 0.000 0.309 109 V C -1.173 174.926 176.094 0.008 0.000 1.148 109 V CA -0.626 61.678 62.300 0.006 0.000 0.990 109 V CB 2.340 34.166 31.823 0.005 0.000 1.039 109 V HN 0.377 nan 8.190 nan 0.000 0.430 110 E N 3.098 123.302 120.200 0.008 0.000 2.028 110 E HA 0.177 4.527 4.350 0.000 0.000 0.266 110 E C 0.975 177.579 176.600 0.007 0.000 0.962 110 E CA 0.365 56.770 56.400 0.009 0.000 0.784 110 E CB 1.414 31.120 29.700 0.009 0.000 1.114 110 E HN 0.951 nan 8.360 nan 0.000 0.414 111 T N 0.782 115.341 114.554 0.008 0.000 2.778 111 T HA -0.279 4.071 4.350 0.000 0.000 0.269 111 T C 0.809 175.511 174.700 0.003 0.000 1.050 111 T CA 1.273 63.376 62.100 0.005 0.000 1.137 111 T CB -0.150 68.722 68.868 0.006 0.000 0.860 111 T HN 0.585 nan 8.240 nan 0.000 0.468 112 Q N -0.472 119.331 119.800 0.005 0.000 2.522 112 Q HA 0.505 4.845 4.340 0.000 0.000 0.285 112 Q C -3.539 172.465 176.000 0.006 0.000 0.982 112 Q CA -2.625 53.179 55.803 0.002 0.000 0.805 112 Q CB 0.906 29.643 28.738 -0.003 0.000 1.457 112 Q HN -0.092 nan 8.270 nan 0.000 0.394 113 P HA -0.007 nan 4.420 nan 0.000 0.257 113 P C 0.614 177.924 177.300 0.017 0.000 1.162 113 P CA 2.480 65.586 63.100 0.010 0.000 0.762 113 P CB 0.146 31.850 31.700 0.007 0.000 0.753 114 G N 1.839 110.651 108.800 0.021 0.000 2.179 114 G HA2 -0.230 3.730 3.960 0.000 0.000 0.260 114 G HA3 -0.230 3.730 3.960 0.000 0.000 0.260 114 G C 0.087 175.010 174.900 0.039 0.000 0.977 114 G CA -0.055 45.064 45.100 0.032 0.000 0.641 114 G HN 0.525 nan 8.290 nan 0.000 0.533 115 V N 1.681 121.613 119.914 0.030 0.000 2.239 115 V HA 0.438 4.558 4.120 0.000 0.000 0.267 115 V C 0.717 176.826 176.094 0.024 0.000 1.056 115 V CA -0.612 61.707 62.300 0.032 0.000 0.830 115 V CB 1.027 32.865 31.823 0.026 0.000 1.090 115 V HN 0.411 nan 8.190 nan 0.000 0.459 116 R N 3.177 123.692 120.500 0.025 0.000 2.234 116 R HA 0.520 4.860 4.340 0.000 0.000 0.324 116 R C -1.061 175.250 176.300 0.018 0.000 1.054 116 R CA -0.184 55.927 56.100 0.018 0.000 0.912 116 R CB 0.644 30.954 30.300 0.016 0.000 1.030 116 R HN 0.653 nan 8.270 nan 0.000 0.455 117 C N 4.288 123.596 119.300 0.014 0.000 2.369 117 C HA 0.456 4.916 4.460 0.000 0.000 0.322 117 C C -0.554 174.443 174.990 0.010 0.000 1.258 117 C CA -0.693 58.333 59.018 0.013 0.000 1.487 117 C CB 1.418 29.166 27.740 0.013 0.000 2.165 117 C HN 0.812 nan 8.230 nan 0.000 0.483 118 Q N 1.183 120.989 119.800 0.010 0.000 2.458 118 Q HA 0.617 4.957 4.340 0.000 0.000 0.282 118 Q C -1.130 174.874 176.000 0.007 0.000 1.106 118 Q CA -0.594 55.213 55.803 0.008 0.000 0.814 118 Q CB 2.330 31.073 28.738 0.007 0.000 1.425 118 Q HN 0.733 nan 8.270 nan 0.000 0.437 119 Q N 1.503 121.307 119.800 0.006 0.000 2.309 119 Q HA 0.545 4.885 4.340 0.000 0.000 0.270 119 Q C -1.479 174.524 176.000 0.006 0.000 1.023 119 Q CA -0.579 55.228 55.803 0.006 0.000 0.758 119 Q CB 1.836 30.577 28.738 0.005 0.000 1.247 119 Q HN 0.594 nan 8.270 nan 0.000 0.455 120 V N 0.365 120.283 119.914 0.007 0.000 2.960 120 V HA 0.825 4.945 4.120 0.000 0.000 0.315 120 V C -0.197 175.903 176.094 0.010 0.000 1.087 120 V CA -0.583 61.722 62.300 0.007 0.000 0.982 120 V CB 1.620 33.447 31.823 0.007 0.000 1.039 120 V HN 0.809 nan 8.190 nan 0.000 0.437 121 T N 0.836 115.397 114.554 0.011 0.000 2.925 121 T HA 0.809 5.159 4.350 0.000 0.000 0.285 121 T C -0.440 174.271 174.700 0.019 0.000 1.021 121 T CA -0.856 61.253 62.100 0.016 0.000 1.042 121 T CB 1.811 70.691 68.868 0.019 0.000 1.037 121 T HN 0.852 nan 8.240 nan 0.000 0.481 122 R N 1.959 122.474 120.500 0.025 0.000 2.673 122 R HA 0.542 4.882 4.340 0.000 0.000 0.281 122 R C -2.958 173.366 176.300 0.040 0.000 0.991 122 R CA -2.291 53.825 56.100 0.027 0.000 0.896 122 R CB 2.269 32.582 30.300 0.022 0.000 1.201 122 R HN 0.577 nan 8.270 nan 0.000 0.457 123 P HA 0.140 nan 4.420 nan 0.000 0.277 123 P C -0.100 177.244 177.300 0.073 0.000 1.240 123 P CA -0.421 62.720 63.100 0.068 0.000 0.798 123 P CB 0.953 32.688 31.700 0.058 0.000 0.979 124 V N 2.790 122.766 119.914 0.103 0.000 2.529 124 V HA 0.033 4.153 4.120 0.000 0.000 0.292 124 V C 2.001 178.150 176.094 0.092 0.000 1.028 124 V CA 0.787 63.143 62.300 0.093 0.000 1.074 124 V CB 0.051 31.948 31.823 0.123 0.000 0.958 124 V HN 0.753 nan 8.190 nan 0.000 0.481 125 A N 4.665 127.524 122.820 0.065 0.000 1.883 125 A HA -0.025 4.296 4.320 0.000 0.000 0.217 125 A C 1.180 178.804 177.584 0.067 0.000 1.186 125 A CA 1.646 53.717 52.037 0.057 0.000 0.624 125 A CB -0.173 18.851 19.000 0.040 0.000 0.822 125 A HN 1.072 nan 8.150 nan 0.000 0.444 126 S N -1.392 114.354 115.700 0.076 0.000 2.571 126 S HA 0.603 5.073 4.470 0.000 0.000 0.284 126 S C -0.790 173.883 174.600 0.122 0.000 1.128 126 S CA -0.125 58.126 58.200 0.086 0.000 0.970 126 S CB 1.470 64.707 63.200 0.063 0.000 1.039 126 S HN 1.349 nan 8.310 nan 0.000 0.485 127 V N -0.428 119.580 119.914 0.157 0.000 2.823 127 V HA 1.019 5.139 4.120 0.000 0.000 0.312 127 V C 0.128 176.347 176.094 0.208 0.000 1.072 127 V CA -0.474 61.970 62.300 0.240 0.000 0.937 127 V CB 1.343 33.363 31.823 0.328 0.000 1.013 127 V HN 1.265 nan 8.190 nan 0.000 0.430 128 G N 3.581 112.522 108.800 0.235 0.000 2.470 128 G HA2 0.697 4.657 3.960 0.000 0.000 0.320 128 G HA3 0.697 4.657 3.960 0.000 0.000 0.320 128 G C -1.066 173.992 174.900 0.264 0.000 1.245 128 G CA -0.881 44.337 45.100 0.196 0.000 0.935 128 G HN 0.880 nan 8.290 nan 0.000 0.476 129 L N 1.593 122.952 121.223 0.226 0.000 2.329 129 L HA 0.465 4.805 4.340 0.000 0.000 0.279 129 L C -1.037 175.971 176.870 0.231 0.000 1.014 129 L CA -1.172 53.808 54.840 0.232 0.000 0.814 129 L CB 2.068 44.218 42.059 0.151 0.000 1.257 129 L HN 0.541 nan 8.230 nan 0.000 0.424 130 Y N 4.288 124.664 120.300 0.126 0.000 2.352 130 Y HA 0.615 5.165 4.550 0.000 0.000 0.339 130 Y C -0.766 175.195 175.900 0.102 0.000 0.992 130 Y CA -0.855 57.305 58.100 0.100 0.000 1.100 130 Y CB 1.254 39.758 38.460 0.073 0.000 1.192 130 Y HN 0.307 nan 8.280 nan 0.000 0.458 131 I N 8.572 128.716 120.570 -0.710 0.000 2.439 131 I HA 0.332 4.502 4.170 0.000 0.000 0.285 131 I C -2.581 173.159 176.117 -0.628 0.000 1.021 131 I CA -2.634 58.406 61.300 -0.434 0.000 1.091 131 I CB 1.604 39.507 38.000 -0.162 0.000 1.242 131 I HN 0.510 nan 8.210 nan 0.000 0.439 132 P HA 0.208 nan 4.420 nan 0.000 0.270 132 P C 0.400 177.672 177.300 -0.047 0.000 1.223 132 P CA 0.100 63.142 63.100 -0.097 0.000 0.785 132 P CB 1.036 32.791 31.700 0.091 0.000 0.923 133 G N -0.307 108.505 108.800 0.020 0.000 2.945 133 G HA2 0.647 4.607 3.960 0.000 0.000 0.156 133 G HA3 0.647 4.607 3.960 0.000 0.000 0.156 133 G C 0.089 175.026 174.900 0.060 0.000 1.375 133 G CA -0.365 44.758 45.100 0.038 0.000 1.039 133 G HN 0.828 nan 8.290 nan 0.000 0.586 134 G N -1.706 107.131 108.800 0.062 0.000 2.582 134 G HA2 0.047 4.007 3.960 0.000 0.000 0.222 134 G HA3 0.047 4.007 3.960 0.000 0.000 0.222 134 G C 1.003 175.938 174.900 0.059 0.000 1.311 134 G CA 0.553 45.690 45.100 0.061 0.000 0.915 134 G HN 1.161 nan 8.290 nan 0.000 0.528 135 S N 0.269 116.002 115.700 0.054 0.000 2.404 135 S HA 0.191 4.661 4.470 0.000 0.000 0.216 135 S C 1.846 176.484 174.600 0.063 0.000 1.039 135 S CA 2.132 60.363 58.200 0.051 0.000 1.062 135 S CB -0.648 62.578 63.200 0.043 0.000 1.046 135 S HN 2.009 nan 8.310 nan 0.000 0.415 136 A N 3.804 126.664 122.820 0.065 0.000 2.437 136 A HA 0.420 4.740 4.320 0.000 0.000 0.303 136 A C -2.265 175.376 177.584 0.095 0.000 1.324 136 A CA -1.353 50.732 52.037 0.081 0.000 0.983 136 A CB -0.256 18.784 19.000 0.065 0.000 1.142 136 A HN 0.307 nan 8.150 nan 0.000 0.541 137 P HA 0.184 nan 4.420 nan 0.000 0.280 137 P C -0.474 176.918 177.300 0.154 0.000 1.300 137 P CA -0.064 63.131 63.100 0.158 0.000 0.785 137 P CB 0.796 32.620 31.700 0.207 0.000 0.874 138 L N 5.039 126.298 121.223 0.059 0.000 2.533 138 L HA 0.104 4.444 4.340 0.000 0.000 0.239 138 L C 1.587 178.413 176.870 -0.073 0.000 1.376 138 L CA -0.468 54.339 54.840 -0.056 0.000 1.240 138 L CB -1.046 41.008 42.059 -0.010 0.000 1.487 138 L HN 0.352 nan 8.230 nan 0.000 0.419 139 F N -0.716 119.309 119.950 0.125 0.000 2.373 139 F HA -0.178 4.349 4.527 0.000 0.000 0.300 139 F C 2.388 178.272 175.800 0.141 0.000 1.080 139 F CA 0.816 58.883 58.000 0.111 0.000 1.417 139 F CB -1.011 38.051 39.000 0.104 0.000 1.070 139 F HN 0.392 nan 8.300 nan 0.000 0.546 140 S N -0.455 115.028 115.700 -0.363 0.000 2.399 140 S HA -0.216 4.254 4.470 0.000 0.000 0.231 140 S C 1.809 176.462 174.600 0.089 0.000 1.022 140 S CA 1.531 59.727 58.200 -0.006 0.000 0.983 140 S CB -1.516 61.720 63.200 0.060 0.000 0.803 140 S HN 0.507 nan 8.310 nan 0.000 0.480 141 T N 2.297 116.925 114.554 0.124 0.000 2.788 141 T HA -0.035 4.315 4.350 0.000 0.000 0.268 141 T C 1.843 176.568 174.700 0.042 0.000 1.044 141 T CA 1.324 63.494 62.100 0.117 0.000 1.139 141 T CB -0.621 68.356 68.868 0.181 0.000 0.867 141 T HN 0.320 nan 8.240 nan 0.000 0.454 142 V N 1.458 121.418 119.914 0.076 0.000 2.287 142 V HA -0.107 4.013 4.120 0.000 0.000 0.248 142 V C 1.649 177.748 176.094 0.008 0.000 1.053 142 V CA 1.273 63.606 62.300 0.055 0.000 1.027 142 V CB -0.766 31.116 31.823 0.097 0.000 0.646 142 V HN 0.415 nan 8.190 nan 0.000 0.447 146 A N 0.229 122.924 122.820 -0.208 0.000 1.969 146 A HA -0.091 4.229 4.320 0.000 0.000 0.218 146 A C 2.054 179.445 177.584 -0.322 0.000 1.169 146 A CA 2.414 54.313 52.037 -0.231 0.000 0.635 146 A CB -0.646 18.277 19.000 -0.129 0.000 0.810 146 A HN 0.429 nan 8.150 nan 0.000 0.445 147 T N 0.677 115.036 114.554 -0.325 0.000 2.674 147 T HA -0.068 4.282 4.350 0.000 0.000 0.265 147 T C -0.204 174.215 174.700 -0.468 0.000 1.039 147 T CA 1.843 63.748 62.100 -0.324 0.000 1.150 147 T CB -1.089 67.624 68.868 -0.258 0.000 0.864 147 T HN 0.403 nan 8.240 nan 0.000 0.427 148 P HA 0.092 nan 4.420 nan 0.000 0.219 148 P C 1.417 178.102 177.300 -1.025 0.000 1.150 148 P CA 0.976 63.555 63.100 -0.869 0.000 0.814 148 P CB -0.176 30.890 31.700 -1.058 0.000 0.787 149 A N -0.432 121.586 122.820 -1.336 0.000 1.902 149 A HA -0.188 4.132 4.320 0.000 0.000 0.217 149 A C 2.519 179.886 177.584 -0.363 0.000 1.181 149 A CA 2.184 53.705 52.037 -0.860 0.000 0.623 149 A CB -1.645 17.050 19.000 -0.508 0.000 0.818 149 A HN 0.219 nan 8.150 nan 0.000 0.443 150 S N -0.262 115.246 115.700 -0.319 0.000 2.356 150 S HA -0.136 4.334 4.470 0.000 0.000 0.223 150 S C 1.903 176.410 174.600 -0.155 0.000 1.032 150 S CA 1.536 59.624 58.200 -0.186 0.000 1.005 150 S CB -0.543 62.558 63.200 -0.166 0.000 0.867 150 S HN 0.479 nan 8.310 nan 0.000 0.449 151 I N 1.623 122.079 120.570 -0.191 0.000 2.286 151 I HA -0.114 4.056 4.170 0.000 0.000 0.248 151 I C 2.733 178.793 176.117 -0.096 0.000 1.115 151 I CA 1.059 62.282 61.300 -0.128 0.000 1.392 151 I CB -0.448 37.478 38.000 -0.124 0.000 1.065 151 I HN 0.391 nan 8.210 nan 0.000 0.418 152 A N 0.286 123.036 122.820 -0.116 0.000 2.067 152 A HA 0.113 4.433 4.320 0.000 0.000 0.219 152 A C 1.980 179.558 177.584 -0.010 0.000 1.158 152 A CA 1.240 53.257 52.037 -0.034 0.000 0.661 152 A CB -0.667 18.351 19.000 0.030 0.000 0.801 152 A HN 0.594 nan 8.150 nan 0.000 0.452 153 G N -2.432 106.350 108.800 -0.031 0.000 2.144 153 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 153 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 153 G C 0.181 175.085 174.900 0.007 0.000 0.988 153 G CA -0.190 44.902 45.100 -0.013 0.000 0.659 153 G HN 0.651 nan 8.290 nan 0.000 0.522 154 C N 1.518 120.829 119.300 0.018 0.000 2.538 154 C HA 0.223 4.683 4.460 0.000 0.000 0.408 154 C C 2.018 177.026 174.990 0.029 0.000 1.421 154 C CA 0.252 59.300 59.018 0.049 0.000 1.642 154 C CB 0.700 28.490 27.740 0.083 0.000 2.553 154 C HN 0.467 nan 8.230 nan 0.000 0.604 155 K N 1.761 122.182 120.400 0.036 0.000 2.228 155 K HA 0.008 4.328 4.320 0.000 0.000 0.202 155 K C 0.612 177.231 176.600 0.032 0.000 1.051 155 K CA 1.046 57.349 56.287 0.028 0.000 0.960 155 K CB 0.037 32.554 32.500 0.028 0.000 0.743 155 K HN 0.676 nan 8.250 nan 0.000 0.458 156 K N 0.567 120.995 120.400 0.047 0.000 2.482 156 K HA 0.329 4.649 4.320 0.000 0.000 0.251 156 K C -1.626 175.015 176.600 0.068 0.000 0.936 156 K CA -0.428 55.892 56.287 0.055 0.000 0.791 156 K CB 2.047 34.586 32.500 0.064 0.000 1.213 156 K HN -0.296 nan 8.250 nan 0.000 0.428 157 V N 4.653 124.605 119.914 0.062 0.000 2.525 157 V HA 0.441 4.561 4.120 0.000 0.000 0.299 157 V C -0.495 175.652 176.094 0.089 0.000 1.034 157 V CA -0.843 61.497 62.300 0.067 0.000 0.863 157 V CB 1.379 33.212 31.823 0.017 0.000 0.999 157 V HN 0.618 nan 8.190 nan 0.000 0.423 158 V N 3.175 123.171 119.914 0.137 0.000 3.102 158 V HA 0.864 4.984 4.120 0.000 0.000 0.312 158 V C -1.131 175.084 176.094 0.201 0.000 1.135 158 V CA -0.945 61.478 62.300 0.205 0.000 1.022 158 V CB 2.335 34.371 31.823 0.356 0.000 1.056 158 V HN 0.805 nan 8.190 nan 0.000 0.436 159 L N 1.552 122.912 121.223 0.229 0.000 2.445 159 L HA 0.842 5.182 4.340 0.000 0.000 0.262 159 L C -1.262 175.756 176.870 0.247 0.000 0.974 159 L CA -0.110 54.842 54.840 0.186 0.000 0.822 159 L CB 1.928 44.038 42.059 0.086 0.000 1.339 159 L HN 0.982 nan 8.230 nan 0.000 0.409 160 C N 2.154 121.583 119.300 0.214 0.000 2.456 160 C HA 0.866 5.326 4.460 0.000 0.000 0.325 160 C C -0.053 174.964 174.990 0.045 0.000 1.217 160 C CA -0.378 58.776 59.018 0.225 0.000 1.687 160 C CB 1.496 29.417 27.740 0.303 0.000 2.270 160 C HN 0.793 nan 8.230 nan 0.000 0.499 161 S N 2.075 117.799 115.700 0.041 0.000 2.535 161 S HA 0.543 5.014 4.470 0.000 0.000 0.272 161 S C -3.078 171.546 174.600 0.041 0.000 1.149 161 S CA -0.627 57.524 58.200 -0.081 0.000 0.888 161 S CB 1.697 64.845 63.200 -0.088 0.000 1.110 161 S HN 0.482 nan 8.310 nan 0.000 0.463 162 P HA 0.165 nan 4.420 nan 0.000 0.260 162 P C -2.459 174.888 177.300 0.078 0.000 1.185 162 P CA -0.572 62.589 63.100 0.103 0.000 0.763 162 P CB -0.157 31.614 31.700 0.118 0.000 0.776 163 P HA 0.205 nan 4.420 nan 0.000 0.277 163 P C -2.339 175.001 177.300 0.067 0.000 1.240 163 P CA -1.641 61.500 63.100 0.068 0.000 0.798 163 P CB -0.311 31.431 31.700 0.071 0.000 0.979 164 P HA 0.333 nan 4.420 nan 0.000 0.279 164 P C -0.316 177.008 177.300 0.042 0.000 1.239 164 P CA -0.120 63.006 63.100 0.044 0.000 0.789 164 P CB 0.856 32.578 31.700 0.037 0.000 0.933 165 I N 1.929 122.520 120.570 0.035 0.000 2.325 165 I HA 0.270 4.440 4.170 0.000 0.000 0.291 165 I C 1.103 177.239 176.117 0.032 0.000 1.019 165 I CA -0.870 60.450 61.300 0.032 0.000 1.302 165 I CB 1.136 39.150 38.000 0.025 0.000 1.401 165 I HN 0.422 nan 8.210 nan 0.000 0.485 166 A N 5.251 128.096 122.820 0.042 0.000 2.555 166 A HA -0.034 4.286 4.320 0.000 0.000 0.233 166 A C 1.076 178.678 177.584 0.030 0.000 1.060 166 A CA -0.039 52.023 52.037 0.041 0.000 0.759 166 A CB 0.083 19.124 19.000 0.067 0.000 0.995 166 A HN 0.804 nan 8.150 nan 0.000 0.506 167 D N 1.384 121.789 120.400 0.009 0.000 2.178 167 D HA -0.121 4.519 4.640 0.000 0.000 0.201 167 D C 1.548 177.845 176.300 -0.005 0.000 0.980 167 D CA 1.804 55.803 54.000 -0.002 0.000 0.842 167 D CB -0.051 40.731 40.800 -0.029 0.000 0.948 167 D HN 0.743 nan 8.370 nan 0.000 0.472 168 E N 0.580 120.749 120.200 -0.052 0.000 2.072 168 E HA -0.058 4.292 4.350 0.000 0.000 0.191 168 E C 2.287 178.881 176.600 -0.010 0.000 0.985 168 E CA 0.343 56.642 56.400 -0.169 0.000 0.801 168 E CB -0.155 29.315 29.700 -0.383 0.000 0.750 168 E HN 0.304 nan 8.360 nan 0.000 0.452 169 I N 0.367 120.993 120.570 0.094 0.000 2.179 169 I HA -0.272 3.898 4.170 0.000 0.000 0.242 169 I C 2.113 178.270 176.117 0.067 0.000 1.088 169 I CA 0.977 62.354 61.300 0.127 0.000 1.357 169 I CB -0.206 37.854 38.000 0.101 0.000 1.051 169 I HN 0.100 nan 8.210 nan 0.000 0.409 170 L N -0.602 120.649 121.223 0.046 0.000 2.042 170 L HA -0.282 4.058 4.340 0.000 0.000 0.210 170 L C 2.667 179.550 176.870 0.023 0.000 1.076 170 L CA 1.700 56.554 54.840 0.022 0.000 0.749 170 L CB -0.775 41.297 42.059 0.021 0.000 0.893 170 L HN 0.296 nan 8.230 nan 0.000 0.432 171 Y N 0.444 120.709 120.300 -0.058 0.000 2.220 171 Y HA -0.198 4.352 4.550 0.000 0.000 0.291 171 Y C 2.503 178.373 175.900 -0.051 0.000 1.129 171 Y CA 1.246 59.305 58.100 -0.068 0.000 1.161 171 Y CB -0.124 38.273 38.460 -0.106 0.000 0.997 171 Y HN 0.090 nan 8.280 nan 0.000 0.522 172 A N 0.551 123.363 122.820 -0.014 0.000 1.933 172 A HA -0.144 4.176 4.320 0.000 0.000 0.218 172 A C 2.363 179.889 177.584 -0.098 0.000 1.175 172 A CA 1.810 53.831 52.037 -0.027 0.000 0.628 172 A CB -1.412 17.683 19.000 0.159 0.000 0.814 172 A HN 0.609 nan 8.150 nan 0.000 0.444 173 A N -1.079 121.697 122.820 -0.073 0.000 1.873 173 A HA -0.155 4.165 4.320 0.000 0.000 0.215 173 A C 2.158 179.662 177.584 -0.133 0.000 1.186 173 A CA 2.023 54.013 52.037 -0.078 0.000 0.616 173 A CB -0.532 18.439 19.000 -0.049 0.000 0.823 173 A HN 0.502 nan 8.150 nan 0.000 0.442 174 Q N -0.556 119.134 119.800 -0.183 0.000 2.050 174 Q HA -0.147 4.193 4.340 0.000 0.000 0.202 174 Q C 1.869 177.715 176.000 -0.256 0.000 0.980 174 Q CA 1.792 57.471 55.803 -0.205 0.000 0.840 174 Q CB -0.575 28.032 28.738 -0.218 0.000 0.898 174 Q HN 0.515 nan 8.270 nan 0.000 0.424 175 L N -0.641 120.340 121.223 -0.403 0.000 2.127 175 L HA -0.147 4.193 4.340 0.000 0.000 0.211 175 L C 1.533 178.290 176.870 -0.189 0.000 1.089 175 L CA 1.693 56.321 54.840 -0.352 0.000 0.757 175 L CB -0.354 41.433 42.059 -0.454 0.000 0.899 175 L HN 0.371 nan 8.230 nan 0.000 0.434 176 C N 0.188 119.394 119.300 -0.157 0.000 2.754 176 C HA 0.546 5.006 4.460 0.000 0.000 0.276 176 C C 1.680 176.604 174.990 -0.111 0.000 1.264 176 C CA -0.004 58.942 59.018 -0.120 0.000 1.700 176 C CB -1.385 26.288 27.740 -0.111 0.000 1.885 176 C HN 0.836 nan 8.230 nan 0.000 0.607 177 G N 1.012 109.746 108.800 -0.109 0.000 2.136 177 G HA2 -0.226 3.734 3.960 0.000 0.000 0.242 177 G HA3 -0.226 3.734 3.960 0.000 0.000 0.242 177 G C 0.120 174.977 174.900 -0.072 0.000 0.989 177 G CA 0.272 45.320 45.100 -0.087 0.000 0.682 177 G HN 0.403 nan 8.290 nan 0.000 0.522 178 V N 0.764 120.634 119.914 -0.073 0.000 2.644 178 V HA -0.000 4.120 4.120 0.000 0.000 0.305 178 V C 1.749 177.815 176.094 -0.046 0.000 1.053 178 V CA 1.534 63.805 62.300 -0.048 0.000 1.186 178 V CB 1.104 32.902 31.823 -0.042 0.000 0.895 178 V HN 0.619 nan 8.190 nan 0.000 0.490 179 Q N 2.155 121.942 119.800 -0.022 0.000 2.062 179 Q HA 0.045 4.385 4.340 0.000 0.000 0.196 179 Q C -0.095 175.875 176.000 -0.051 0.000 0.967 179 Q CA 0.939 56.728 55.803 -0.023 0.000 0.832 179 Q CB 0.283 29.027 28.738 0.009 0.000 0.899 179 Q HN 0.776 nan 8.270 nan 0.000 0.442 180 D N -0.194 120.175 120.400 -0.052 0.000 2.879 180 D HA 0.366 5.006 4.640 0.000 0.000 0.236 180 D C -1.281 174.833 176.300 -0.310 0.000 1.171 180 D CA -0.340 53.524 54.000 -0.227 0.000 0.868 180 D CB 2.959 43.655 40.800 -0.174 0.000 1.598 180 D HN -0.185 nan 8.370 nan 0.000 0.497 181 V N 2.150 121.753 119.914 -0.518 0.000 2.487 181 V HA 0.483 4.603 4.120 0.000 0.000 0.298 181 V C -0.751 175.013 176.094 -0.551 0.000 1.028 181 V CA -0.705 61.394 62.300 -0.335 0.000 0.860 181 V CB 1.096 32.822 31.823 -0.163 0.000 0.991 181 V HN 0.357 nan 8.190 nan 0.000 0.427 182 F N 2.224 122.194 119.950 0.033 0.000 2.508 182 F HA 0.487 5.014 4.527 0.000 0.000 0.325 182 F C 0.870 176.697 175.800 0.044 0.000 1.090 182 F CA -0.913 57.111 58.000 0.040 0.000 0.945 182 F CB 1.455 40.484 39.000 0.048 0.000 1.156 182 F HN 0.364 nan 8.300 nan 0.000 0.463 183 N N 3.008 121.833 118.700 0.209 0.000 2.971 183 N HA 0.245 4.985 4.740 0.000 0.000 0.294 183 N C -1.050 174.551 175.510 0.152 0.000 1.210 183 N CA 0.246 53.381 53.050 0.142 0.000 1.157 183 N CB 0.409 38.957 38.487 0.101 0.000 1.450 183 N HN 0.234 nan 8.380 nan 0.000 0.527 184 V N -1.082 118.933 119.914 0.168 0.000 3.012 184 V HA 0.826 4.946 4.120 0.000 0.000 0.307 184 V C 0.443 176.654 176.094 0.196 0.000 1.166 184 V CA -1.035 61.354 62.300 0.148 0.000 0.974 184 V CB 2.237 34.136 31.823 0.126 0.000 1.040 184 V HN 0.434 nan 8.190 nan 0.000 0.428 185 G N -0.078 108.828 108.800 0.176 0.000 2.866 185 G HA2 0.820 4.780 3.960 0.000 0.000 0.289 185 G HA3 0.820 4.780 3.960 0.000 0.000 0.289 185 G C 0.070 175.049 174.900 0.132 0.000 1.396 185 G CA 0.240 45.517 45.100 0.295 0.000 0.848 185 G HN 1.780 nan 8.290 nan 0.000 0.515 186 G N -0.707 108.166 108.800 0.121 0.000 2.598 186 G HA2 0.199 4.159 3.960 0.000 0.000 0.269 186 G HA3 0.199 4.159 3.960 0.000 0.000 0.269 186 G C 1.482 176.273 174.900 -0.181 0.000 1.289 186 G CA 1.266 46.336 45.100 -0.050 0.000 0.926 186 G HN 2.014 nan 8.290 nan 0.000 0.567 187 A N -1.520 121.227 122.820 -0.122 0.000 2.070 187 A HA 0.016 4.336 4.320 0.000 0.000 0.220 187 A C 2.347 179.826 177.584 -0.175 0.000 1.159 187 A CA 2.544 54.506 52.037 -0.124 0.000 0.656 187 A CB -0.394 18.593 19.000 -0.022 0.000 0.800 187 A HN 0.795 nan 8.150 nan 0.000 0.453 188 Q N -0.209 119.453 119.800 -0.231 0.000 2.123 188 Q HA 0.127 4.467 4.340 0.000 0.000 0.199 188 Q C 2.293 178.226 176.000 -0.112 0.000 0.966 188 Q CA 1.569 57.239 55.803 -0.222 0.000 0.845 188 Q CB -0.580 27.971 28.738 -0.310 0.000 0.907 188 Q HN 0.609 nan 8.270 nan 0.000 0.439 189 A N 0.854 123.625 122.820 -0.082 0.000 1.902 189 A HA -0.157 4.163 4.320 0.000 0.000 0.217 189 A C 1.941 179.478 177.584 -0.078 0.000 1.181 189 A CA 1.220 53.249 52.037 -0.012 0.000 0.623 189 A CB -0.553 18.535 19.000 0.146 0.000 0.818 189 A HN 0.274 nan 8.150 nan 0.000 0.443 190 I N 0.141 120.608 120.570 -0.172 0.000 2.226 190 I HA -0.248 3.922 4.170 0.000 0.000 0.245 190 I C 2.910 178.884 176.117 -0.238 0.000 1.100 190 I CA 1.481 62.658 61.300 -0.205 0.000 1.374 190 I CB -1.695 36.160 38.000 -0.243 0.000 1.057 190 I HN 0.363 nan 8.210 nan 0.000 0.413 191 A N 0.841 123.543 122.820 -0.196 0.000 1.933 191 A HA -0.079 4.241 4.320 0.000 0.000 0.218 191 A C 2.575 180.082 177.584 -0.127 0.000 1.175 191 A CA 1.890 53.811 52.037 -0.194 0.000 0.628 191 A CB -0.721 18.334 19.000 0.091 0.000 0.814 191 A HN 0.414 nan 8.150 nan 0.000 0.444 192 A N -0.341 122.439 122.820 -0.068 0.000 1.898 192 A HA 0.001 4.321 4.320 0.000 0.000 0.216 192 A C 2.165 179.680 177.584 -0.116 0.000 1.181 192 A CA 1.446 53.449 52.037 -0.055 0.000 0.620 192 A CB -0.525 18.430 19.000 -0.076 0.000 0.819 192 A HN 0.465 nan 8.150 nan 0.000 0.442 193 L N -1.022 120.116 121.223 -0.141 0.000 2.072 193 L HA -0.119 4.221 4.340 0.000 0.000 0.205 193 L C 3.066 179.833 176.870 -0.171 0.000 1.079 193 L CA 0.959 55.722 54.840 -0.129 0.000 0.752 193 L CB -0.473 41.542 42.059 -0.074 0.000 0.906 193 L HN 0.428 nan 8.230 nan 0.000 0.436 194 A N -0.371 122.260 122.820 -0.315 0.000 1.930 194 A HA -0.134 4.186 4.320 0.000 0.000 0.217 194 A C 1.831 179.163 177.584 -0.420 0.000 1.175 194 A CA 1.485 53.242 52.037 -0.468 0.000 0.627 194 A CB -0.388 18.137 19.000 -0.790 0.000 0.815 194 A HN 0.335 nan 8.150 nan 0.000 0.443 195 F N -1.116 118.805 119.950 -0.047 0.000 2.500 195 F HA 0.446 4.973 4.527 0.000 0.000 0.285 195 F C 1.439 177.213 175.800 -0.043 0.000 1.088 195 F CA 0.209 58.185 58.000 -0.040 0.000 1.432 195 F CB -0.660 38.318 39.000 -0.036 0.000 1.131 195 F HN 0.417 nan 8.300 nan 0.000 0.582 196 G N 0.550 109.411 108.800 0.101 0.000 2.719 196 G HA2 0.220 4.180 3.960 0.000 0.000 0.686 196 G HA3 0.220 4.180 3.960 0.000 0.000 0.686 196 G C -0.372 174.549 174.900 0.035 0.000 1.201 196 G CA -0.545 44.570 45.100 0.024 0.000 0.768 196 G HN 0.524 nan 8.290 nan 0.000 0.629 197 T N -1.752 112.791 114.554 -0.018 0.000 2.669 197 T HA 0.734 5.084 4.350 0.000 0.000 0.283 197 T C 1.016 175.708 174.700 -0.013 0.000 1.019 197 T CA 0.472 62.568 62.100 -0.007 0.000 1.039 197 T CB 1.584 70.444 68.868 -0.015 0.000 1.374 197 T HN 0.528 nan 8.240 nan 0.000 0.523 198 E N 0.548 120.748 120.200 0.001 0.000 2.153 198 E HA -0.017 4.334 4.350 0.000 0.000 0.194 198 E C 2.115 178.726 176.600 0.018 0.000 0.988 198 E CA 1.835 58.242 56.400 0.012 0.000 0.811 198 E CB -0.195 29.517 29.700 0.019 0.000 0.746 198 E HN 0.538 nan 8.360 nan 0.000 0.466 199 S N -0.555 115.150 115.700 0.009 0.000 2.452 199 S HA 0.094 4.564 4.470 0.000 0.000 0.225 199 S C 0.644 175.193 174.600 -0.086 0.000 1.057 199 S CA -0.097 58.129 58.200 0.043 0.000 0.949 199 S CB 0.546 63.807 63.200 0.102 0.000 0.836 199 S HN -0.044 nan 8.310 nan 0.000 0.518 200 V N 5.606 125.343 119.914 -0.296 0.000 2.432 200 V HA 0.282 4.402 4.120 0.000 0.000 0.271 200 V C -2.219 173.705 176.094 -0.284 0.000 1.046 200 V CA -2.058 59.874 62.300 -0.613 0.000 0.945 200 V CB 0.645 32.097 31.823 -0.619 0.000 0.992 200 V HN 0.247 nan 8.190 nan 0.000 0.471 201 P HA 0.142 nan 4.420 nan 0.000 0.275 201 P C -0.660 176.601 177.300 -0.064 0.000 1.227 201 P CA -0.564 62.496 63.100 -0.067 0.000 0.781 201 P CB 1.005 32.710 31.700 0.008 0.000 0.906 202 K N 2.664 123.048 120.400 -0.027 0.000 2.339 202 K HA 0.272 4.592 4.320 0.000 0.000 0.286 202 K C -0.057 176.536 176.600 -0.011 0.000 1.050 202 K CA -0.537 55.738 56.287 -0.020 0.000 0.956 202 K CB 0.253 32.758 32.500 0.009 0.000 0.990 202 K HN 0.363 nan 8.250 nan 0.000 0.475 203 V N 0.898 120.799 119.914 -0.022 0.000 2.881 203 V HA 0.296 4.416 4.120 0.000 0.000 0.316 203 V C 0.467 176.555 176.094 -0.011 0.000 1.070 203 V CA -0.554 61.750 62.300 0.006 0.000 0.976 203 V CB 1.833 33.678 31.823 0.036 0.000 1.038 203 V HN 0.840 nan 8.190 nan 0.000 0.446 204 D N 0.706 121.112 120.400 0.009 0.000 2.194 204 D HA 0.050 4.690 4.640 0.000 0.000 0.204 204 D C 0.499 176.768 176.300 -0.052 0.000 0.964 204 D CA 1.447 55.439 54.000 -0.013 0.000 0.846 204 D CB 0.528 41.334 40.800 0.010 0.000 0.962 204 D HN 0.653 nan 8.370 nan 0.000 0.490 205 K N 0.205 120.586 120.400 -0.033 0.000 2.498 205 K HA 0.461 4.781 4.320 0.000 0.000 0.254 205 K C -1.613 174.915 176.600 -0.120 0.000 0.933 205 K CA -0.522 55.669 56.287 -0.161 0.000 0.806 205 K CB 2.095 34.451 32.500 -0.241 0.000 1.301 205 K HN -0.211 nan 8.250 nan 0.000 0.432 206 I N 4.325 124.728 120.570 -0.278 0.000 2.378 206 I HA 0.400 4.570 4.170 0.000 0.000 0.291 206 I C -1.052 174.912 176.117 -0.255 0.000 0.992 206 I CA -0.802 60.428 61.300 -0.116 0.000 1.154 206 I CB 0.943 38.876 38.000 -0.111 0.000 1.315 206 I HN 0.430 nan 8.210 nan 0.000 0.448 207 F N 3.153 123.095 119.950 -0.014 0.000 2.546 207 F HA 0.840 5.367 4.527 0.000 0.000 0.320 207 F C 0.576 176.425 175.800 0.082 0.000 1.076 207 F CA -1.062 56.939 58.000 0.001 0.000 0.928 207 F CB 2.169 41.170 39.000 0.003 0.000 1.189 207 F HN 0.549 nan 8.300 nan 0.000 0.465 208 G N 2.787 111.747 108.800 0.267 0.000 3.101 208 G HA2 0.163 4.123 3.960 0.000 0.000 0.672 208 G HA3 0.163 4.123 3.960 0.000 0.000 0.672 208 G C -3.370 171.657 174.900 0.210 0.000 1.331 208 G CA -1.370 43.878 45.100 0.246 0.000 0.925 208 G HN 0.423 nan 8.290 nan 0.000 0.596 209 P HA 0.709 nan 4.420 nan 0.000 0.276 209 P C 0.630 178.054 177.300 0.207 0.000 1.261 209 P CA 0.461 63.643 63.100 0.137 0.000 0.800 209 P CB 1.986 33.742 31.700 0.093 0.000 1.066 210 G N 0.168 109.053 108.800 0.142 0.000 2.634 210 G HA2 0.380 4.340 3.960 0.000 0.000 0.309 210 G HA3 0.380 4.340 3.960 0.000 0.000 0.309 210 G C -0.766 174.200 174.900 0.110 0.000 1.299 210 G CA -0.756 44.456 45.100 0.187 0.000 0.798 210 G HN 0.697 nan 8.290 nan 0.000 0.490 211 N N -0.508 118.271 118.700 0.131 0.000 2.290 211 N HA 0.432 5.172 4.740 0.000 0.000 0.269 211 N C 1.723 177.274 175.510 0.069 0.000 1.295 211 N CA 0.664 53.783 53.050 0.114 0.000 0.932 211 N CB 0.197 38.788 38.487 0.174 0.000 1.128 211 N HN 0.851 nan 8.380 nan 0.000 0.532 212 A N -0.941 121.908 122.820 0.048 0.000 1.940 212 A HA -0.086 4.234 4.320 0.000 0.000 0.219 212 A C 1.886 179.363 177.584 -0.178 0.000 1.176 212 A CA 1.219 53.198 52.037 -0.097 0.000 0.631 212 A CB -1.176 17.712 19.000 -0.187 0.000 0.814 212 A HN 0.601 nan 8.150 nan 0.000 0.446 213 F N -0.704 119.233 119.950 -0.022 0.000 2.325 213 F HA -0.054 4.473 4.527 0.000 0.000 0.299 213 F C 2.314 178.059 175.800 -0.091 0.000 1.090 213 F CA 1.074 59.050 58.000 -0.041 0.000 1.392 213 F CB -0.325 38.663 39.000 -0.020 0.000 1.053 213 F HN 0.023 nan 8.300 nan 0.000 0.521 214 V N -0.625 119.317 119.914 0.046 0.000 2.323 214 V HA -0.240 3.880 4.120 0.000 0.000 0.244 214 V C 2.240 178.269 176.094 -0.107 0.000 1.041 214 V CA 2.318 64.545 62.300 -0.122 0.000 1.025 214 V CB -1.024 30.677 31.823 -0.204 0.000 0.656 214 V HN 0.337 nan 8.190 nan 0.000 0.451 215 T N -0.137 114.376 114.554 -0.069 0.000 2.684 215 T HA -0.256 4.094 4.350 0.000 0.000 0.267 215 T C 1.913 176.562 174.700 -0.085 0.000 1.036 215 T CA 1.932 63.989 62.100 -0.072 0.000 1.148 215 T CB -0.257 68.574 68.868 -0.062 0.000 0.863 215 T HN 0.492 nan 8.240 nan 0.000 0.436 216 E N 1.565 121.706 120.200 -0.098 0.000 2.110 216 E HA -0.024 4.326 4.350 0.000 0.000 0.193 216 E C 2.191 178.747 176.600 -0.073 0.000 0.988 216 E CA 1.326 57.669 56.400 -0.095 0.000 0.804 216 E CB -0.604 29.013 29.700 -0.138 0.000 0.745 216 E HN 0.451 nan 8.360 nan 0.000 0.458 217 A N 0.746 123.523 122.820 -0.071 0.000 1.898 217 A HA -0.177 4.144 4.320 0.000 0.000 0.216 217 A C 2.082 179.598 177.584 -0.114 0.000 1.181 217 A CA 1.741 53.730 52.037 -0.080 0.000 0.620 217 A CB -0.413 18.527 19.000 -0.099 0.000 0.819 217 A HN 0.214 nan 8.150 nan 0.000 0.442 218 K N -0.778 119.546 120.400 -0.127 0.000 2.057 218 K HA -0.147 4.173 4.320 0.000 0.000 0.207 218 K C 2.381 178.909 176.600 -0.121 0.000 1.049 218 K CA 1.433 57.636 56.287 -0.139 0.000 0.931 218 K CB -0.177 32.243 32.500 -0.133 0.000 0.714 218 K HN 0.470 nan 8.250 nan 0.000 0.440 219 R N 1.470 121.913 120.500 -0.096 0.000 2.073 219 R HA -0.179 4.161 4.340 0.000 0.000 0.234 219 R C 2.195 178.454 176.300 -0.068 0.000 1.134 219 R CA 1.701 57.753 56.100 -0.080 0.000 0.952 219 R CB -0.029 30.234 30.300 -0.061 0.000 0.850 219 R HN 0.255 nan 8.270 nan 0.000 0.433 220 Q N -0.074 119.692 119.800 -0.056 0.000 2.050 220 Q HA -0.136 4.204 4.340 0.000 0.000 0.202 220 Q C 2.158 178.139 176.000 -0.033 0.000 0.980 220 Q CA 2.053 57.839 55.803 -0.029 0.000 0.840 220 Q CB -0.059 28.676 28.738 -0.005 0.000 0.898 220 Q HN 0.424 nan 8.270 nan 0.000 0.424 221 V N -1.376 118.489 119.914 -0.082 0.000 2.759 221 V HA -0.151 3.969 4.120 0.000 0.000 0.256 221 V C 2.131 178.160 176.094 -0.108 0.000 1.080 221 V CA 1.698 63.923 62.300 -0.124 0.000 1.101 221 V CB -0.758 30.894 31.823 -0.284 0.000 0.698 221 V HN 0.336 nan 8.190 nan 0.000 0.477 222 S N -0.411 115.224 115.700 -0.108 0.000 2.461 222 S HA -0.088 4.382 4.470 0.000 0.000 0.228 222 S C 1.844 176.402 174.600 -0.071 0.000 1.005 222 S CA 0.806 58.943 58.200 -0.106 0.000 0.942 222 S CB -0.398 62.729 63.200 -0.123 0.000 0.776 222 S HN 0.672 nan 8.310 nan 0.000 0.514 223 Q N 0.553 120.323 119.800 -0.050 0.000 2.392 223 Q HA 0.266 4.606 4.340 0.000 0.000 0.203 223 Q C 0.148 176.143 176.000 -0.009 0.000 0.917 223 Q CA 0.237 56.023 55.803 -0.029 0.000 0.939 223 Q CB 0.316 29.041 28.738 -0.023 0.000 1.063 223 Q HN 0.608 nan 8.270 nan 0.000 0.516 224 R N 0.273 120.776 120.500 0.004 0.000 2.474 224 R HA 0.265 4.605 4.340 0.000 0.000 0.295 224 R C 0.893 177.212 176.300 0.031 0.000 0.980 224 R CA -0.467 55.655 56.100 0.036 0.000 0.934 224 R CB 1.072 31.430 30.300 0.097 0.000 1.101 224 R HN -0.058 nan 8.270 nan 0.000 0.469 225 L N 1.598 122.840 121.223 0.032 0.000 2.141 225 L HA -0.164 4.176 4.340 0.000 0.000 0.209 225 L C 1.479 178.375 176.870 0.045 0.000 1.094 225 L CA 1.700 56.554 54.840 0.024 0.000 0.763 225 L CB -0.273 41.796 42.059 0.017 0.000 0.908 225 L HN 0.710 nan 8.230 nan 0.000 0.437 226 D N -1.614 118.837 120.400 0.085 0.000 2.319 226 D HA 0.071 4.711 4.640 0.000 0.000 0.230 226 D C 1.133 177.570 176.300 0.229 0.000 1.094 226 D CA 0.474 54.555 54.000 0.135 0.000 0.856 226 D CB -0.391 40.482 40.800 0.122 0.000 0.915 226 D HN 0.184 nan 8.370 nan 0.000 0.517 227 G N -0.288 108.584 108.800 0.119 0.000 3.075 227 G HA2 0.673 4.633 3.960 0.000 0.000 0.156 227 G HA3 0.673 4.633 3.960 0.000 0.000 0.156 227 G C -0.703 174.139 174.900 -0.097 0.000 1.403 227 G CA -0.153 44.931 45.100 -0.027 0.000 1.033 227 G HN 0.463 nan 8.290 nan 0.000 0.589 228 A N -2.262 120.469 122.820 -0.148 0.000 2.609 228 A HA 0.816 5.136 4.320 0.000 0.000 0.291 228 A C -0.214 177.279 177.584 -0.151 0.000 1.096 228 A CA 0.144 52.098 52.037 -0.138 0.000 0.684 228 A CB 0.868 19.771 19.000 -0.162 0.000 1.282 228 A HN 1.838 nan 8.150 nan 0.000 0.412 229 A N 0.306 123.031 122.820 -0.157 0.000 2.313 229 A HA 0.728 5.048 4.320 0.000 0.000 0.261 229 A C 0.234 177.653 177.584 -0.275 0.000 1.090 229 A CA 0.124 52.045 52.037 -0.193 0.000 0.807 229 A CB -0.145 18.744 19.000 -0.185 0.000 1.055 229 A HN 1.752 nan 8.150 nan 0.000 0.492 230 I N -1.651 118.736 120.570 -0.304 0.000 3.002 230 I HA 0.556 4.726 4.170 0.000 0.000 0.310 230 I C -0.514 175.318 176.117 -0.474 0.000 1.087 230 I CA -1.171 59.902 61.300 -0.378 0.000 1.017 230 I CB 1.913 39.759 38.000 -0.257 0.000 1.226 230 I HN 0.700 nan 8.210 nan 0.000 0.443 234 A N 0.117 122.955 122.820 0.030 0.000 2.274 234 A HA 0.982 5.302 4.320 0.000 0.000 0.297 234 A C 0.361 178.006 177.584 0.101 0.000 1.191 234 A CA 0.092 52.163 52.037 0.057 0.000 0.889 234 A CB 0.623 19.626 19.000 0.005 0.000 1.294 234 A HN 1.317 nan 8.150 nan 0.000 0.506 235 G N -1.842 106.955 108.800 -0.005 0.000 2.325 235 G HA2 0.488 4.448 3.960 0.000 0.000 0.297 235 G HA3 0.488 4.448 3.960 0.000 0.000 0.297 235 G C -3.472 171.350 174.900 -0.130 0.000 1.448 235 G CA -0.725 44.266 45.100 -0.181 0.000 0.838 235 G HN 0.581 nan 8.290 nan 0.000 0.579 236 P HA 0.359 nan 4.420 nan 0.000 0.267 236 P C 0.166 177.474 177.300 0.014 0.000 1.200 236 P CA 0.002 63.061 63.100 -0.069 0.000 0.772 236 P CB 1.129 32.788 31.700 -0.069 0.000 0.855 237 S N 1.503 117.223 115.700 0.033 0.000 2.580 237 S HA 0.259 4.729 4.470 0.000 0.000 0.274 237 S C -0.390 174.288 174.600 0.129 0.000 1.329 237 S CA -0.392 57.851 58.200 0.072 0.000 1.036 237 S CB 0.009 63.228 63.200 0.031 0.000 0.919 237 S HN 0.402 nan 8.310 nan 0.000 0.515 238 E N 1.144 121.460 120.200 0.194 0.000 2.383 238 E HA 0.710 5.060 4.350 0.000 0.000 0.275 238 E C -1.674 175.094 176.600 0.280 0.000 0.918 238 E CA -1.037 55.498 56.400 0.226 0.000 0.764 238 E CB 1.970 31.835 29.700 0.276 0.000 1.252 238 E HN 0.334 nan 8.360 nan 0.000 0.449 239 V N 2.413 122.437 119.914 0.183 0.000 2.733 239 V HA 0.532 4.652 4.120 0.000 0.000 0.306 239 V C -1.819 174.318 176.094 0.071 0.000 1.084 239 V CA -0.653 61.726 62.300 0.132 0.000 0.905 239 V CB 1.818 33.641 31.823 -0.001 0.000 1.010 239 V HN 0.700 nan 8.190 nan 0.000 0.424 240 L N 6.817 128.084 121.223 0.074 0.000 2.381 240 L HA 0.800 5.140 4.340 0.000 0.000 0.274 240 L C -1.320 175.549 176.870 -0.000 0.000 0.988 240 L CA -0.444 54.399 54.840 0.005 0.000 0.824 240 L CB 1.959 44.028 42.059 0.017 0.000 1.263 240 L HN 0.534 nan 8.230 nan 0.000 0.410 241 V N 6.145 126.038 119.914 -0.035 0.000 2.459 241 V HA 0.447 4.567 4.120 0.000 0.000 0.295 241 V C 0.067 176.137 176.094 -0.040 0.000 1.029 241 V CA -0.404 61.878 62.300 -0.031 0.000 0.874 241 V CB 1.772 33.569 31.823 -0.042 0.000 0.985 241 V HN 0.574 nan 8.190 nan 0.000 0.438 242 I N 4.278 124.831 120.570 -0.027 0.000 2.330 242 I HA 0.722 4.893 4.170 0.000 0.000 0.289 242 I C 0.237 176.336 176.117 -0.030 0.000 1.001 242 I CA -0.235 61.042 61.300 -0.037 0.000 1.193 242 I CB 1.511 39.494 38.000 -0.028 0.000 1.345 242 I HN 0.717 nan 8.210 nan 0.000 0.461 243 A N 5.323 128.121 122.820 -0.037 0.000 2.393 243 A HA 0.676 4.996 4.320 0.000 0.000 0.306 243 A C -0.940 176.624 177.584 -0.033 0.000 1.050 243 A CA -0.706 51.311 52.037 -0.033 0.000 0.724 243 A CB 1.322 20.301 19.000 -0.035 0.000 1.248 243 A HN 0.707 nan 8.150 nan 0.000 0.424 244 D N 0.681 121.064 120.400 -0.029 0.000 2.564 244 D HA 0.336 4.976 4.640 0.000 0.000 0.273 244 D C 1.320 177.604 176.300 -0.028 0.000 1.192 244 D CA 0.238 54.223 54.000 -0.025 0.000 1.080 244 D CB 0.091 40.880 40.800 -0.018 0.000 1.160 244 D HN 0.429 nan 8.370 nan 0.000 0.607 245 S N -1.998 113.688 115.700 -0.024 0.000 2.469 245 S HA -0.001 4.469 4.470 0.000 0.000 0.238 245 S C 1.866 176.447 174.600 -0.032 0.000 0.998 245 S CA 0.663 58.847 58.200 -0.026 0.000 0.957 245 S CB -1.008 62.181 63.200 -0.019 0.000 0.764 245 S HN 0.686 nan 8.310 nan 0.000 0.514 246 G N 0.725 109.508 108.800 -0.029 0.000 2.880 246 G HA2 0.492 4.452 3.960 0.000 0.000 0.209 246 G HA3 0.492 4.452 3.960 0.000 0.000 0.209 246 G C 0.493 175.362 174.900 -0.053 0.000 1.157 246 G CA 0.131 45.211 45.100 -0.032 0.000 0.779 246 G HN 0.797 nan 8.290 nan 0.000 0.539 247 A N 0.013 122.798 122.820 -0.058 0.000 2.406 247 A HA 0.555 4.875 4.320 0.000 0.000 0.243 247 A C 0.357 177.860 177.584 -0.135 0.000 1.082 247 A CA 0.141 52.131 52.037 -0.079 0.000 0.786 247 A CB 0.265 19.232 19.000 -0.055 0.000 1.029 247 A HN 0.103 nan 8.150 nan 0.000 0.495 248 T N 3.386 117.809 114.554 -0.219 0.000 2.733 248 T HA 0.372 4.722 4.350 0.000 0.000 0.294 248 T C -1.868 172.683 174.700 -0.249 0.000 0.956 248 T CA -0.803 61.066 62.100 -0.386 0.000 0.987 248 T CB 1.259 69.516 68.868 -1.018 0.000 0.920 248 T HN 0.430 nan 8.240 nan 0.000 0.470 249 P HA -0.159 nan 4.420 nan 0.000 0.216 249 P C 1.270 178.530 177.300 -0.066 0.000 1.154 249 P CA 1.069 64.111 63.100 -0.097 0.000 0.865 249 P CB 0.227 31.877 31.700 -0.083 0.000 0.789 250 D N -2.053 118.289 120.400 -0.097 0.000 2.178 250 D HA -0.110 4.530 4.640 0.000 0.000 0.202 250 D C 1.756 178.148 176.300 0.154 0.000 0.974 250 D CA 0.950 54.950 54.000 0.000 0.000 0.841 250 D CB -0.397 40.398 40.800 -0.008 0.000 0.953 250 D HN 0.093 nan 8.370 nan 0.000 0.478 251 F N 0.865 120.770 119.950 -0.074 0.000 2.128 251 F HA -0.103 4.424 4.527 0.000 0.000 0.295 251 F C 2.536 178.277 175.800 -0.098 0.000 1.100 251 F CA 0.134 58.074 58.000 -0.100 0.000 1.260 251 F CB -1.193 37.710 39.000 -0.162 0.000 1.009 251 F HN -0.173 nan 8.300 nan 0.000 0.476 252 V N 0.443 120.422 119.914 0.108 0.000 2.255 252 V HA -0.306 3.814 4.120 0.000 0.000 0.247 252 V C 2.715 178.810 176.094 0.001 0.000 1.051 252 V CA 1.923 64.235 62.300 0.021 0.000 1.018 252 V CB -1.567 30.250 31.823 -0.010 0.000 0.641 252 V HN 0.314 nan 8.190 nan 0.000 0.445 253 A N 0.868 123.692 122.820 0.007 0.000 1.908 253 A HA -0.233 4.087 4.320 0.000 0.000 0.218 253 A C 2.547 180.127 177.584 -0.007 0.000 1.181 253 A CA 2.480 54.514 52.037 -0.004 0.000 0.627 253 A CB -0.858 18.140 19.000 -0.002 0.000 0.818 253 A HN 0.719 nan 8.150 nan 0.000 0.445 254 S N -0.200 115.508 115.700 0.014 0.000 2.419 254 S HA -0.169 4.301 4.470 0.000 0.000 0.233 254 S C 1.371 175.941 174.600 -0.050 0.000 1.016 254 S CA 1.398 59.594 58.200 -0.007 0.000 0.974 254 S CB -0.416 62.795 63.200 0.019 0.000 0.786 254 S HN 0.553 nan 8.310 nan 0.000 0.492 255 D N 1.637 121.999 120.400 -0.062 0.000 2.162 255 D HA 0.105 4.745 4.640 0.000 0.000 0.203 255 D C 2.005 178.242 176.300 -0.106 0.000 0.967 255 D CA 0.779 54.710 54.000 -0.114 0.000 0.840 255 D CB -0.212 40.507 40.800 -0.134 0.000 0.972 255 D HN 0.391 nan 8.370 nan 0.000 0.482 256 L N 0.450 121.630 121.223 -0.070 0.000 2.093 256 L HA -0.116 4.224 4.340 0.000 0.000 0.208 256 L C 2.556 179.393 176.870 -0.056 0.000 1.085 256 L CA 0.628 55.433 54.840 -0.057 0.000 0.755 256 L CB -0.277 41.758 42.059 -0.041 0.000 0.904 256 L HN 0.003 nan 8.230 nan 0.000 0.435 257 L N -1.173 120.017 121.223 -0.055 0.000 2.109 257 L HA -0.142 4.198 4.340 0.000 0.000 0.207 257 L C 2.706 179.524 176.870 -0.087 0.000 1.086 257 L CA 0.739 55.546 54.840 -0.056 0.000 0.760 257 L CB -0.298 41.735 42.059 -0.044 0.000 0.910 257 L HN 0.176 nan 8.230 nan 0.000 0.437 258 S N -0.523 115.111 115.700 -0.110 0.000 2.359 258 S HA -0.281 4.189 4.470 0.000 0.000 0.224 258 S C 1.864 176.342 174.600 -0.203 0.000 1.035 258 S CA 1.521 59.621 58.200 -0.166 0.000 1.018 258 S CB -0.228 62.873 63.200 -0.165 0.000 0.876 258 S HN 0.355 nan 8.310 nan 0.000 0.448 259 Q N 1.612 121.340 119.800 -0.120 0.000 2.079 259 Q HA 0.122 4.462 4.340 0.000 0.000 0.200 259 Q C 2.084 178.092 176.000 0.014 0.000 0.974 259 Q CA 1.678 57.472 55.803 -0.015 0.000 0.840 259 Q CB -0.760 27.960 28.738 -0.030 0.000 0.898 259 Q HN 0.454 nan 8.270 nan 0.000 0.430 260 A N 0.986 123.792 122.820 -0.023 0.000 1.978 260 A HA -0.224 4.096 4.320 0.000 0.000 0.220 260 A C 1.723 179.297 177.584 -0.017 0.000 1.170 260 A CA 1.763 53.795 52.037 -0.007 0.000 0.636 260 A CB -0.810 18.180 19.000 -0.018 0.000 0.810 260 A HN 0.692 nan 8.150 nan 0.000 0.448 261 E N -1.577 118.577 120.200 -0.076 0.000 2.511 261 E HA -0.110 4.240 4.350 0.000 0.000 0.196 261 E C 1.033 177.581 176.600 -0.087 0.000 1.066 261 E CA 0.389 56.736 56.400 -0.088 0.000 0.871 261 E CB -0.339 29.287 29.700 -0.123 0.000 0.863 261 E HN 0.653 nan 8.360 nan 0.000 0.520 262 H N 0.920 119.971 119.070 -0.030 0.000 2.551 262 H HA 0.285 4.841 4.556 0.000 0.000 0.266 262 H C 0.601 175.921 175.328 -0.013 0.000 0.977 262 H CA 1.101 57.130 56.048 -0.031 0.000 1.163 262 H CB 0.895 30.630 29.762 -0.045 0.000 1.381 262 H HN 0.368 nan 8.280 nan 0.000 0.581 263 G N 0.094 108.957 108.800 0.104 0.000 2.368 263 G HA2 -0.032 3.928 3.960 0.000 0.000 0.301 263 G HA3 -0.032 3.928 3.960 0.000 0.000 0.301 263 G C -2.268 172.658 174.900 0.044 0.000 1.640 263 G CA -0.703 44.437 45.100 0.066 0.000 0.941 263 G HN -0.226 nan 8.290 nan 0.000 0.695 264 P HA 0.003 nan 4.420 nan 0.000 0.231 264 P C 0.292 177.606 177.300 0.022 0.000 1.158 264 P CA 1.030 64.144 63.100 0.023 0.000 0.763 264 P CB 0.404 32.116 31.700 0.020 0.000 0.805 265 D N -0.862 119.552 120.400 0.023 0.000 2.369 265 D HA 0.071 4.711 4.640 0.000 0.000 0.211 265 D C 0.294 176.613 176.300 0.032 0.000 1.077 265 D CA 0.184 54.195 54.000 0.017 0.000 0.842 265 D CB 0.334 41.130 40.800 -0.006 0.000 0.947 265 D HN 0.095 nan 8.370 nan 0.000 0.509 266 S N 1.679 117.406 115.700 0.045 0.000 2.558 266 S HA 0.037 4.507 4.470 0.000 0.000 0.288 266 S C 0.400 175.039 174.600 0.066 0.000 1.318 266 S CA -0.036 58.202 58.200 0.063 0.000 1.056 266 S CB 0.927 64.172 63.200 0.075 0.000 0.853 266 S HN 0.088 nan 8.310 nan 0.000 0.505 267 Q N 2.046 121.901 119.800 0.092 0.000 2.325 267 Q HA 0.462 4.802 4.340 0.000 0.000 0.262 267 Q C -0.392 175.651 176.000 0.071 0.000 0.968 267 Q CA -0.630 55.230 55.803 0.095 0.000 0.877 267 Q CB 1.434 30.276 28.738 0.175 0.000 1.253 267 Q HN 0.554 nan 8.270 nan 0.000 0.448 268 V N 0.889 120.817 119.914 0.024 0.000 2.540 268 V HA 0.768 4.888 4.120 0.000 0.000 0.302 268 V C -0.538 175.529 176.094 -0.045 0.000 1.035 268 V CA -0.688 61.610 62.300 -0.004 0.000 0.873 268 V CB 1.537 33.355 31.823 -0.009 0.000 0.992 268 V HN 0.669 nan 8.190 nan 0.000 0.428 269 I N 5.238 125.764 120.570 -0.074 0.000 2.686 269 I HA 0.622 4.792 4.170 0.000 0.000 0.295 269 I C -1.259 174.798 176.117 -0.100 0.000 1.114 269 I CA -0.833 60.395 61.300 -0.121 0.000 1.038 269 I CB 2.326 40.180 38.000 -0.244 0.000 1.238 269 I HN 0.689 nan 8.210 nan 0.000 0.420 270 L N 6.748 127.913 121.223 -0.096 0.000 2.381 270 L HA 0.650 4.990 4.340 0.000 0.000 0.274 270 L C -1.768 175.041 176.870 -0.101 0.000 0.988 270 L CA -0.192 54.599 54.840 -0.082 0.000 0.824 270 L CB 1.634 43.659 42.059 -0.057 0.000 1.263 270 L HN 0.463 nan 8.230 nan 0.000 0.410 271 L N 4.805 125.964 121.223 -0.107 0.000 2.343 271 L HA 0.673 5.013 4.340 0.000 0.000 0.278 271 L C -0.354 176.461 176.870 -0.092 0.000 0.996 271 L CA -0.339 54.423 54.840 -0.131 0.000 0.831 271 L CB 1.868 43.822 42.059 -0.174 0.000 1.232 271 L HN 0.724 nan 8.230 nan 0.000 0.413 272 T N 2.723 117.232 114.554 -0.076 0.000 2.933 272 T HA 0.439 4.789 4.350 0.000 0.000 0.305 272 T C -2.379 172.297 174.700 -0.040 0.000 1.092 272 T CA -1.408 60.660 62.100 -0.052 0.000 1.008 272 T CB 2.270 71.114 68.868 -0.040 0.000 1.102 272 T HN 0.182 nan 8.240 nan 0.000 0.469 273 P HA 0.238 nan 4.420 nan 0.000 0.229 273 P C -0.322 176.973 177.300 -0.009 0.000 1.160 273 P CA 0.227 63.317 63.100 -0.018 0.000 0.777 273 P CB 0.217 31.908 31.700 -0.016 0.000 0.814 274 A N -0.259 122.553 122.820 -0.014 0.000 2.249 274 A HA 0.601 4.921 4.320 0.000 0.000 0.314 274 A C 1.452 179.031 177.584 -0.009 0.000 1.290 274 A CA -0.086 51.945 52.037 -0.010 0.000 0.893 274 A CB 0.569 19.560 19.000 -0.015 0.000 1.165 274 A HN 0.084 nan 8.150 nan 0.000 0.530 275 A N 2.436 125.255 122.820 -0.002 0.000 1.940 275 A HA -0.062 4.258 4.320 0.000 0.000 0.219 275 A C 1.192 178.773 177.584 -0.006 0.000 1.176 275 A CA 1.765 53.802 52.037 0.000 0.000 0.631 275 A CB -0.578 18.425 19.000 0.005 0.000 0.814 275 A HN 0.851 nan 8.150 nan 0.000 0.446 279 R N 0.644 121.136 120.500 -0.014 0.000 2.073 279 R HA -0.033 4.307 4.340 0.000 0.000 0.234 279 R C 2.260 178.550 176.300 -0.017 0.000 1.134 279 R CA 1.712 57.804 56.100 -0.013 0.000 0.952 279 R CB -0.253 30.041 30.300 -0.011 0.000 0.850 279 R HN 0.513 nan 8.270 nan 0.000 0.433 280 R N 0.212 120.698 120.500 -0.023 0.000 2.081 280 R HA -0.088 4.252 4.340 0.000 0.000 0.235 280 R C 2.328 178.611 176.300 -0.029 0.000 1.131 280 R CA 1.310 57.393 56.100 -0.028 0.000 0.960 280 R CB -0.444 29.834 30.300 -0.036 0.000 0.856 280 R HN 0.048 nan 8.270 nan 0.000 0.436 281 V N 1.041 120.937 119.914 -0.029 0.000 2.343 281 V HA -0.248 3.872 4.120 0.000 0.000 0.247 281 V C 2.418 178.499 176.094 -0.021 0.000 1.051 281 V CA 1.951 64.234 62.300 -0.027 0.000 1.036 281 V CB -0.699 31.107 31.823 -0.029 0.000 0.654 281 V HN 0.428 nan 8.190 nan 0.000 0.451 282 A N -0.471 122.338 122.820 -0.018 0.000 1.933 282 A HA -0.257 4.063 4.320 0.000 0.000 0.218 282 A C 2.189 179.765 177.584 -0.013 0.000 1.175 282 A CA 1.997 54.025 52.037 -0.014 0.000 0.628 282 A CB -0.429 18.565 19.000 -0.011 0.000 0.814 282 A HN 0.626 nan 8.150 nan 0.000 0.444 283 E N -0.512 119.680 120.200 -0.014 0.000 2.107 283 E HA -0.005 4.345 4.350 0.000 0.000 0.191 283 E C 2.314 178.906 176.600 -0.013 0.000 0.982 283 E CA 0.740 57.132 56.400 -0.013 0.000 0.809 283 E CB -0.234 29.458 29.700 -0.014 0.000 0.756 283 E HN 0.611 nan 8.360 nan 0.000 0.459 284 A N 0.842 123.653 122.820 -0.017 0.000 1.902 284 A HA -0.142 4.178 4.320 0.000 0.000 0.217 284 A C 2.452 180.029 177.584 -0.010 0.000 1.181 284 A CA 1.049 53.077 52.037 -0.015 0.000 0.623 284 A CB -0.623 18.366 19.000 -0.020 0.000 0.818 284 A HN 0.117 nan 8.150 nan 0.000 0.443 285 V N -0.119 119.788 119.914 -0.012 0.000 2.343 285 V HA -0.247 3.873 4.120 0.000 0.000 0.247 285 V C 2.595 178.684 176.094 -0.009 0.000 1.051 285 V CA 2.470 64.763 62.300 -0.011 0.000 1.036 285 V CB -0.630 31.185 31.823 -0.014 0.000 0.654 285 V HN 0.694 nan 8.190 nan 0.000 0.451 286 E N 0.114 120.309 120.200 -0.009 0.000 2.072 286 E HA -0.173 4.178 4.350 0.000 0.000 0.191 286 E C 2.406 179.003 176.600 -0.006 0.000 0.985 286 E CA 1.117 57.513 56.400 -0.007 0.000 0.801 286 E CB -0.117 29.580 29.700 -0.006 0.000 0.750 286 E HN 0.319 nan 8.360 nan 0.000 0.452 287 R N 0.207 120.704 120.500 -0.006 0.000 2.081 287 R HA -0.082 4.258 4.340 0.000 0.000 0.235 287 R C 2.391 178.690 176.300 -0.002 0.000 1.131 287 R CA 1.479 57.576 56.100 -0.004 0.000 0.960 287 R CB -0.678 29.619 30.300 -0.005 0.000 0.856 287 R HN 0.425 nan 8.270 nan 0.000 0.436 288 Q N 0.294 120.093 119.800 -0.002 0.000 2.119 288 Q HA -0.082 4.258 4.340 0.000 0.000 0.201 288 Q C 2.086 178.083 176.000 -0.005 0.000 0.972 288 Q CA 0.775 56.578 55.803 -0.001 0.000 0.847 288 Q CB -0.197 28.542 28.738 0.001 0.000 0.903 288 Q HN 0.079 nan 8.270 nan 0.000 0.433 289 L N 0.835 122.053 121.223 -0.007 0.000 2.079 289 L HA -0.140 4.200 4.340 0.000 0.000 0.210 289 L C 2.074 178.941 176.870 -0.006 0.000 1.081 289 L CA 1.989 56.824 54.840 -0.008 0.000 0.752 289 L CB -0.666 41.388 42.059 -0.008 0.000 0.896 289 L HN 0.119 nan 8.230 nan 0.000 0.433 290 A N -1.336 121.481 122.820 -0.004 0.000 2.125 290 A HA -0.154 4.166 4.320 0.000 0.000 0.219 290 A C 2.055 179.638 177.584 -0.002 0.000 1.156 290 A CA 1.592 53.627 52.037 -0.003 0.000 0.671 290 A CB -0.487 18.512 19.000 -0.002 0.000 0.794 290 A HN 0.658 nan 8.150 nan 0.000 0.459 291 E N -0.781 119.418 120.200 -0.002 0.000 2.481 291 E HA 0.201 4.551 4.350 0.000 0.000 0.198 291 E C -0.470 176.128 176.600 -0.003 0.000 1.027 291 E CA -0.329 56.070 56.400 -0.001 0.000 0.900 291 E CB 0.167 29.867 29.700 0.001 0.000 0.993 291 E HN 0.510 nan 8.360 nan 0.000 0.482 292 L N 2.350 123.570 121.223 -0.005 0.000 2.361 292 L HA 0.102 4.442 4.340 0.000 0.000 0.278 292 L C -1.464 175.403 176.870 -0.006 0.000 1.113 292 L CA -1.439 53.396 54.840 -0.008 0.000 0.849 292 L CB 0.342 42.394 42.059 -0.013 0.000 1.155 292 L HN -0.132 nan 8.230 nan 0.000 0.452 293 P HA -0.169 nan 4.420 nan 0.000 0.209 293 P C -0.058 177.241 177.300 -0.002 0.000 1.167 293 P CA 1.514 64.612 63.100 -0.002 0.000 0.941 293 P CB 0.177 31.876 31.700 -0.002 0.000 0.787 294 R N -0.718 119.781 120.500 -0.002 0.000 2.790 294 R HA 0.503 4.843 4.340 0.000 0.000 0.274 294 R C 0.120 176.418 176.300 -0.004 0.000 1.334 294 R CA -0.181 55.919 56.100 -0.001 0.000 1.543 294 R CB 0.497 30.799 30.300 0.003 0.000 1.154 294 R HN 0.106 nan 8.270 nan 0.000 0.601 295 A N 1.662 124.479 122.820 -0.005 0.000 2.415 295 A HA 0.075 4.395 4.320 0.000 0.000 0.248 295 A C 1.099 178.681 177.584 -0.003 0.000 1.299 295 A CA -0.094 51.939 52.037 -0.007 0.000 0.899 295 A CB 0.111 19.106 19.000 -0.009 0.000 0.997 295 A HN 0.520 nan 8.150 nan 0.000 0.506 296 E N -0.531 119.670 120.200 0.000 0.000 2.077 296 E HA -0.123 4.227 4.350 0.000 0.000 0.193 296 E C 1.830 178.433 176.600 0.004 0.000 0.989 296 E CA 1.908 58.310 56.400 0.003 0.000 0.800 296 E CB -0.362 29.341 29.700 0.006 0.000 0.746 296 E HN 0.469 nan 8.360 nan 0.000 0.452 297 T N 0.491 115.048 114.554 0.005 0.000 2.643 297 T HA -0.203 4.147 4.350 0.000 0.000 0.264 297 T C 1.992 176.694 174.700 0.004 0.000 1.045 297 T CA 1.535 63.639 62.100 0.008 0.000 1.155 297 T CB -0.480 68.394 68.868 0.009 0.000 0.863 297 T HN 0.310 nan 8.240 nan 0.000 0.420 298 A N 1.576 124.393 122.820 -0.005 0.000 1.917 298 A HA -0.191 4.129 4.320 0.000 0.000 0.219 298 A C 2.214 179.795 177.584 -0.005 0.000 1.182 298 A CA 2.367 54.398 52.037 -0.011 0.000 0.633 298 A CB -0.633 18.354 19.000 -0.022 0.000 0.819 298 A HN 0.452 nan 8.150 nan 0.000 0.448 299 R N -0.656 119.842 120.500 -0.003 0.000 2.080 299 R HA -0.219 4.121 4.340 0.000 0.000 0.236 299 R C 2.358 178.660 176.300 0.003 0.000 1.137 299 R CA 2.174 58.273 56.100 -0.001 0.000 0.943 299 R CB -0.505 29.795 30.300 0.000 0.000 0.846 299 R HN 0.464 nan 8.270 nan 0.000 0.431 300 Q N 0.216 120.019 119.800 0.006 0.000 2.124 300 Q HA -0.026 4.314 4.340 0.000 0.000 0.202 300 Q C 1.869 177.876 176.000 0.011 0.000 0.977 300 Q CA 2.220 58.028 55.803 0.009 0.000 0.850 300 Q CB -0.544 28.201 28.738 0.011 0.000 0.901 300 Q HN 0.466 nan 8.270 nan 0.000 0.429 301 A N 0.135 122.962 122.820 0.012 0.000 1.933 301 A HA -0.114 4.206 4.320 0.000 0.000 0.218 301 A C 2.086 179.678 177.584 0.012 0.000 1.175 301 A CA 1.385 53.432 52.037 0.016 0.000 0.628 301 A CB -0.754 18.256 19.000 0.018 0.000 0.814 301 A HN 0.456 nan 8.150 nan 0.000 0.444 302 L N 0.010 121.237 121.223 0.006 0.000 2.353 302 L HA -0.149 4.191 4.340 0.000 0.000 0.220 302 L C 1.887 178.760 176.870 0.005 0.000 1.133 302 L CA 0.547 55.388 54.840 0.002 0.000 0.798 302 L CB -0.587 41.471 42.059 -0.003 0.000 0.922 302 L HN 0.402 nan 8.230 nan 0.000 0.445 303 N N 0.476 119.181 118.700 0.008 0.000 2.381 303 N HA -0.089 4.651 4.740 0.000 0.000 0.182 303 N C 1.479 176.996 175.510 0.013 0.000 1.025 303 N CA 1.293 54.349 53.050 0.009 0.000 0.888 303 N CB 0.158 38.651 38.487 0.010 0.000 0.965 303 N HN 0.305 nan 8.380 nan 0.000 0.438 304 A N 0.382 123.211 122.820 0.016 0.000 2.387 304 A HA 0.148 4.468 4.320 0.000 0.000 0.234 304 A C 0.874 178.468 177.584 0.015 0.000 1.253 304 A CA -0.356 51.694 52.037 0.021 0.000 0.894 304 A CB -0.059 18.959 19.000 0.031 0.000 0.963 304 A HN 0.234 nan 8.150 nan 0.000 0.508 305 S N -0.022 115.682 115.700 0.007 0.000 2.600 305 S HA 0.593 5.063 4.470 0.000 0.000 0.265 305 S C -0.071 174.523 174.600 -0.010 0.000 1.325 305 S CA -0.330 57.867 58.200 -0.006 0.000 1.002 305 S CB 0.791 63.986 63.200 -0.009 0.000 0.921 305 S HN 0.412 nan 8.310 nan 0.000 0.554 306 R N 0.715 121.198 120.500 -0.028 0.000 2.502 306 R HA 0.408 4.748 4.340 0.000 0.000 0.298 306 R C -1.375 174.902 176.300 -0.038 0.000 1.018 306 R CA -0.294 55.792 56.100 -0.025 0.000 0.899 306 R CB 1.416 31.697 30.300 -0.033 0.000 1.181 306 R HN 0.605 nan 8.270 nan 0.000 0.444 307 L N 5.778 126.990 121.223 -0.019 0.000 2.297 307 L HA 0.499 4.839 4.340 0.000 0.000 0.277 307 L C -0.427 176.439 176.870 -0.007 0.000 1.040 307 L CA -0.432 54.395 54.840 -0.023 0.000 0.867 307 L CB 0.687 42.737 42.059 -0.016 0.000 1.244 307 L HN 0.497 nan 8.230 nan 0.000 0.433 308 I N 3.138 123.694 120.570 -0.023 0.000 2.359 308 I HA 0.315 4.485 4.170 0.000 0.000 0.294 308 I C -0.052 176.059 176.117 -0.010 0.000 0.987 308 I CA -0.825 60.479 61.300 0.006 0.000 1.225 308 I CB 2.172 40.156 38.000 -0.028 0.000 1.366 308 I HN 0.141 nan 8.210 nan 0.000 0.466 309 V N 5.386 125.324 119.914 0.040 0.000 2.383 309 V HA 0.332 4.452 4.120 0.000 0.000 0.275 309 V C 0.594 176.725 176.094 0.062 0.000 1.036 309 V CA -0.308 62.011 62.300 0.031 0.000 0.889 309 V CB 1.286 33.132 31.823 0.039 0.000 0.985 309 V HN 0.935 nan 8.190 nan 0.000 0.459 310 T N 1.491 116.051 114.554 0.010 0.000 2.870 310 T HA 0.396 4.746 4.350 0.000 0.000 0.277 310 T C 0.951 175.676 174.700 0.041 0.000 1.000 310 T CA -0.489 61.623 62.100 0.019 0.000 0.982 310 T CB 1.696 70.500 68.868 -0.107 0.000 1.249 310 T HN 0.514 nan 8.240 nan 0.000 0.589 311 K N 0.248 120.681 120.400 0.054 0.000 2.116 311 K HA 0.028 4.348 4.320 0.000 0.000 0.203 311 K C -0.257 176.354 176.600 0.019 0.000 1.052 311 K CA 1.382 57.697 56.287 0.047 0.000 0.952 311 K CB -0.088 32.450 32.500 0.064 0.000 0.729 311 K HN 0.859 nan 8.250 nan 0.000 0.446 312 D N -2.557 117.845 120.400 0.002 0.000 2.792 312 D HA -0.003 4.637 4.640 0.000 0.000 0.335 312 D C 0.558 176.844 176.300 -0.023 0.000 1.353 312 D CA -0.686 53.310 54.000 -0.007 0.000 0.839 312 D CB 0.047 40.848 40.800 0.002 0.000 1.396 312 D HN -0.081 nan 8.370 nan 0.000 0.479 313 L N 0.009 121.219 121.223 -0.021 0.000 2.131 313 L HA -0.034 4.306 4.340 0.000 0.000 0.210 313 L C 2.468 179.320 176.870 -0.030 0.000 1.092 313 L CA 1.700 56.523 54.840 -0.028 0.000 0.759 313 L CB -0.608 41.440 42.059 -0.018 0.000 0.903 313 L HN 0.642 nan 8.230 nan 0.000 0.435 314 A N -0.390 122.419 122.820 -0.018 0.000 1.902 314 A HA -0.291 4.029 4.320 0.000 0.000 0.217 314 A C 2.248 179.816 177.584 -0.025 0.000 1.181 314 A CA 1.833 53.862 52.037 -0.014 0.000 0.623 314 A CB -0.522 18.477 19.000 -0.001 0.000 0.818 314 A HN 0.477 nan 8.150 nan 0.000 0.443 315 Q N -1.172 118.608 119.800 -0.032 0.000 2.297 315 Q HA -0.128 4.212 4.340 0.000 0.000 0.204 315 Q C 1.931 177.845 176.000 -0.144 0.000 0.962 315 Q CA 1.354 57.121 55.803 -0.059 0.000 0.879 315 Q CB -0.337 28.382 28.738 -0.032 0.000 0.947 315 Q HN 0.719 nan 8.270 nan 0.000 0.462 316 C N -1.072 118.154 119.300 -0.123 0.000 2.476 316 C HA -0.044 4.416 4.460 0.000 0.000 0.278 316 C C 2.502 177.423 174.990 -0.116 0.000 1.274 316 C CA 0.409 59.337 59.018 -0.149 0.000 1.713 316 C CB -0.656 27.023 27.740 -0.102 0.000 2.039 316 C HN 0.385 nan 8.230 nan 0.000 0.484 317 V N 0.942 120.815 119.914 -0.068 0.000 2.427 317 V HA -0.219 3.901 4.120 0.000 0.000 0.248 317 V C 2.439 178.511 176.094 -0.036 0.000 1.051 317 V CA 2.281 64.557 62.300 -0.039 0.000 1.048 317 V CB -0.749 31.062 31.823 -0.019 0.000 0.666 317 V HN 0.651 nan 8.190 nan 0.000 0.456 318 E N 0.208 120.383 120.200 -0.042 0.000 2.077 318 E HA -0.224 4.126 4.350 0.000 0.000 0.193 318 E C 2.186 178.763 176.600 -0.037 0.000 0.989 318 E CA 1.729 58.116 56.400 -0.022 0.000 0.800 318 E CB -0.172 29.526 29.700 -0.003 0.000 0.746 318 E HN 0.615 nan 8.360 nan 0.000 0.452 319 I N 0.464 120.962 120.570 -0.120 0.000 2.252 319 I HA -0.222 3.948 4.170 0.000 0.000 0.245 319 I C 2.726 178.794 176.117 -0.081 0.000 1.102 319 I CA 0.963 62.155 61.300 -0.180 0.000 1.385 319 I CB -0.305 37.406 38.000 -0.483 0.000 1.064 319 I HN 0.153 nan 8.210 nan 0.000 0.414 320 S N 1.052 116.711 115.700 -0.067 0.000 2.356 320 S HA -0.183 4.287 4.470 0.000 0.000 0.223 320 S C 1.905 176.543 174.600 0.065 0.000 1.032 320 S CA 1.704 59.913 58.200 0.014 0.000 1.005 320 S CB -0.286 62.916 63.200 0.002 0.000 0.867 320 S HN 0.399 nan 8.310 nan 0.000 0.449 321 N N 1.162 119.880 118.700 0.030 0.000 2.120 321 N HA -0.128 4.612 4.740 0.000 0.000 0.188 321 N C 1.834 177.367 175.510 0.039 0.000 1.024 321 N CA 1.399 54.468 53.050 0.032 0.000 0.852 321 N CB -0.758 37.740 38.487 0.018 0.000 1.003 321 N HN 0.574 nan 8.380 nan 0.000 0.424 322 Q N -0.089 119.741 119.800 0.050 0.000 2.124 322 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 322 Q C 1.935 177.985 176.000 0.082 0.000 0.977 322 Q CA 1.344 57.184 55.803 0.061 0.000 0.850 322 Q CB -0.373 28.415 28.738 0.082 0.000 0.901 322 Q HN 0.547 nan 8.270 nan 0.000 0.429 323 Y N -0.562 119.724 120.300 -0.024 0.000 2.206 323 Y HA 0.089 4.639 4.550 0.000 0.000 0.292 323 Y C 1.054 176.939 175.900 -0.024 0.000 1.123 323 Y CA 1.215 59.300 58.100 -0.025 0.000 1.142 323 Y CB 0.048 38.491 38.460 -0.029 0.000 1.006 323 Y HN 0.249 nan 8.280 nan 0.000 0.518 324 G N 2.256 111.064 108.800 0.013 0.000 2.385 324 G HA2 -0.225 3.735 3.960 0.000 0.000 0.294 324 G HA3 -0.225 3.735 3.960 0.000 0.000 0.294 324 G C -2.560 172.275 174.900 -0.108 0.000 1.070 324 G CA -0.066 44.999 45.100 -0.059 0.000 1.172 324 G HN 0.399 nan 8.290 nan 0.000 0.516 325 P HA 0.137 nan 4.420 nan 0.000 0.271 325 P C 0.911 178.259 177.300 0.080 0.000 1.218 325 P CA -0.086 63.126 63.100 0.186 0.000 0.780 325 P CB 1.393 33.304 31.700 0.350 0.000 0.901 326 E N 2.565 122.797 120.200 0.054 0.000 2.038 326 E HA -0.179 4.171 4.350 0.000 0.000 0.195 326 E C 0.039 176.566 176.600 -0.122 0.000 1.000 326 E CA 1.067 57.426 56.400 -0.068 0.000 0.803 326 E CB 0.005 29.638 29.700 -0.111 0.000 0.750 326 E HN 0.562 nan 8.360 nan 0.000 0.448 327 H N -0.072 119.082 119.070 0.140 0.000 2.505 327 H HA 0.338 4.894 4.556 0.000 0.000 0.338 327 H C -1.016 174.407 175.328 0.158 0.000 1.057 327 H CA -0.785 55.372 56.048 0.181 0.000 1.202 327 H CB 1.580 31.390 29.762 0.081 0.000 1.466 327 H HN 0.091 nan 8.280 nan 0.000 0.499 328 L N 5.122 126.543 121.223 0.329 0.000 2.319 328 L HA 0.438 4.778 4.340 0.000 0.000 0.281 328 L C -1.028 175.998 176.870 0.261 0.000 1.005 328 L CA -0.391 54.582 54.840 0.221 0.000 0.828 328 L CB 0.675 42.828 42.059 0.158 0.000 1.227 328 L HN 0.496 nan 8.230 nan 0.000 0.415 329 I N 6.452 127.106 120.570 0.140 0.000 2.362 329 I HA 0.383 4.553 4.170 0.000 0.000 0.289 329 I C -0.473 175.683 176.117 0.064 0.000 0.994 329 I CA -0.454 60.913 61.300 0.111 0.000 1.158 329 I CB 1.599 39.584 38.000 -0.025 0.000 1.315 329 I HN 0.497 nan 8.210 nan 0.000 0.451 330 I N 6.516 127.131 120.570 0.074 0.000 2.388 330 I HA 0.228 4.398 4.170 0.000 0.000 0.281 330 I C -0.130 175.995 176.117 0.014 0.000 1.046 330 I CA -0.282 61.040 61.300 0.035 0.000 1.187 330 I CB 0.714 38.737 38.000 0.039 0.000 1.351 330 I HN 0.570 nan 8.210 nan 0.000 0.472 331 Q N 5.526 125.322 119.800 -0.006 0.000 2.834 331 Q HA 0.238 4.578 4.340 0.000 0.000 0.271 331 Q C -0.081 175.907 176.000 -0.021 0.000 1.196 331 Q CA -0.344 55.445 55.803 -0.023 0.000 1.063 331 Q CB 0.894 29.615 28.738 -0.028 0.000 1.265 331 Q HN 0.727 nan 8.270 nan 0.000 0.526 332 T N -3.804 110.743 114.554 -0.013 0.000 2.887 332 T HA 0.428 4.779 4.350 0.000 0.000 0.292 332 T C 0.753 175.452 174.700 -0.001 0.000 1.087 332 T CA -0.886 61.208 62.100 -0.010 0.000 1.009 332 T CB 1.816 70.679 68.868 -0.007 0.000 1.203 332 T HN 0.218 nan 8.240 nan 0.000 0.518 333 R N 0.954 121.455 120.500 0.002 0.000 2.091 333 R HA -0.028 4.312 4.340 0.000 0.000 0.238 333 R C 1.264 177.574 176.300 0.017 0.000 1.136 333 R CA 1.824 57.931 56.100 0.012 0.000 0.959 333 R CB -0.218 30.088 30.300 0.010 0.000 0.856 333 R HN 0.795 nan 8.270 nan 0.000 0.437 334 N N -0.185 118.523 118.700 0.013 0.000 2.546 334 N HA 0.148 4.888 4.740 0.000 0.000 0.286 334 N C 0.509 176.027 175.510 0.015 0.000 1.259 334 N CA 0.474 53.533 53.050 0.015 0.000 0.939 334 N CB 0.702 39.196 38.487 0.012 0.000 1.243 334 N HN 0.083 nan 8.380 nan 0.000 0.511 335 A N 1.932 124.762 122.820 0.017 0.000 1.870 335 A HA -0.287 4.034 4.320 0.000 0.000 0.219 335 A C 2.251 179.846 177.584 0.019 0.000 1.224 335 A CA 1.895 53.942 52.037 0.018 0.000 0.650 335 A CB -0.760 18.253 19.000 0.022 0.000 0.836 335 A HN 0.507 nan 8.150 nan 0.000 0.454 336 R N -0.673 119.839 120.500 0.021 0.000 2.127 336 R HA -0.196 4.144 4.340 0.000 0.000 0.238 336 R C 1.975 178.284 176.300 0.015 0.000 1.134 336 R CA 1.814 57.925 56.100 0.018 0.000 0.975 336 R CB -0.255 30.057 30.300 0.019 0.000 0.865 336 R HN 0.577 nan 8.270 nan 0.000 0.447 337 E N 0.325 120.534 120.200 0.014 0.000 2.160 337 E HA -0.157 4.193 4.350 0.000 0.000 0.195 337 E C 1.764 178.370 176.600 0.010 0.000 0.991 337 E CA 1.152 57.560 56.400 0.012 0.000 0.810 337 E CB -0.039 29.668 29.700 0.012 0.000 0.742 337 E HN 0.376 nan 8.360 nan 0.000 0.466 338 L N -0.580 120.650 121.223 0.010 0.000 2.156 338 L HA -0.116 4.224 4.340 0.000 0.000 0.208 338 L C 2.166 179.043 176.870 0.011 0.000 1.095 338 L CA 0.351 55.196 54.840 0.009 0.000 0.770 338 L CB -0.451 41.613 42.059 0.008 0.000 0.914 338 L HN 0.069 nan 8.230 nan 0.000 0.439 339 V N 0.894 120.815 119.914 0.012 0.000 2.277 339 V HA -0.396 3.724 4.120 0.000 0.000 0.255 339 V C 1.998 178.099 176.094 0.011 0.000 1.074 339 V CA 2.515 64.822 62.300 0.012 0.000 1.058 339 V CB -0.765 31.064 31.823 0.009 0.000 0.656 339 V HN 0.504 nan 8.190 nan 0.000 0.449 340 D N -0.118 120.288 120.400 0.010 0.000 2.158 340 D HA -0.147 4.493 4.640 0.000 0.000 0.197 340 D C 2.162 178.467 176.300 0.009 0.000 0.995 340 D CA 1.621 55.626 54.000 0.009 0.000 0.846 340 D CB -0.247 40.558 40.800 0.009 0.000 0.941 340 D HN 0.413 nan 8.370 nan 0.000 0.456 341 S N -0.172 115.533 115.700 0.009 0.000 2.561 341 S HA 0.046 4.516 4.470 0.000 0.000 0.225 341 S C 0.646 175.252 174.600 0.009 0.000 0.977 341 S CA 0.079 58.284 58.200 0.008 0.000 0.926 341 S CB 0.218 63.422 63.200 0.006 0.000 0.769 341 S HN 0.190 nan 8.310 nan 0.000 0.533 342 I N 3.600 124.177 120.570 0.012 0.000 2.347 342 I HA 0.080 4.250 4.170 0.000 0.000 0.294 342 I C 1.652 177.778 176.117 0.015 0.000 1.090 342 I CA 0.242 61.552 61.300 0.016 0.000 1.314 342 I CB 0.136 38.149 38.000 0.021 0.000 1.423 342 I HN 0.202 nan 8.210 nan 0.000 0.503 343 T N 0.876 115.439 114.554 0.014 0.000 3.057 343 T HA 0.063 4.413 4.350 0.000 0.000 0.254 343 T C 0.784 175.491 174.700 0.012 0.000 1.094 343 T CA -0.042 62.065 62.100 0.012 0.000 1.088 343 T CB 0.310 69.184 68.868 0.010 0.000 0.934 343 T HN 0.434 nan 8.240 nan 0.000 0.497 344 S N -0.027 115.682 115.700 0.015 0.000 2.649 344 S HA 0.700 5.170 4.470 0.000 0.000 0.274 344 S C -1.328 173.285 174.600 0.023 0.000 1.176 344 S CA -0.050 58.158 58.200 0.013 0.000 0.988 344 S CB 0.920 64.121 63.200 0.001 0.000 1.071 344 S HN 1.026 nan 8.310 nan 0.000 0.478 345 A N 2.915 125.749 122.820 0.023 0.000 2.581 345 A HA 0.677 4.997 4.320 0.000 0.000 0.294 345 A C 0.646 178.246 177.584 0.026 0.000 1.035 345 A CA -0.211 51.848 52.037 0.036 0.000 0.684 345 A CB 0.063 19.099 19.000 0.060 0.000 1.282 345 A HN 1.173 nan 8.150 nan 0.000 0.417 346 G N 0.009 108.820 108.800 0.018 0.000 2.424 346 G HA2 0.369 4.329 3.960 0.000 0.000 0.214 346 G HA3 0.369 4.329 3.960 0.000 0.000 0.214 346 G C 0.703 175.613 174.900 0.016 0.000 1.202 346 G CA 1.422 46.522 45.100 0.000 0.000 0.793 346 G HN 1.624 nan 8.290 nan 0.000 0.534 347 S N -1.155 114.573 115.700 0.047 0.000 2.575 347 S HA 0.535 5.005 4.470 0.000 0.000 0.278 347 S C -1.088 173.558 174.600 0.076 0.000 1.139 347 S CA -0.642 57.571 58.200 0.022 0.000 0.954 347 S CB 1.787 65.009 63.200 0.038 0.000 1.054 347 S HN 0.145 nan 8.310 nan 0.000 0.483 348 V N 5.107 124.974 119.914 -0.078 0.000 2.472 348 V HA 0.614 4.734 4.120 0.000 0.000 0.290 348 V C -1.056 174.921 176.094 -0.195 0.000 1.037 348 V CA -0.480 61.824 62.300 0.007 0.000 0.908 348 V CB 0.961 32.787 31.823 0.005 0.000 0.985 348 V HN 0.786 nan 8.190 nan 0.000 0.454 349 F N 4.621 124.584 119.950 0.021 0.000 2.467 349 F HA 0.654 5.181 4.527 0.000 0.000 0.336 349 F C -0.092 175.705 175.800 -0.005 0.000 1.123 349 F CA -0.720 57.283 58.000 0.005 0.000 0.964 349 F CB 1.431 40.433 39.000 0.004 0.000 1.136 349 F HN 0.175 nan 8.300 nan 0.000 0.447 350 L N 3.139 124.431 121.223 0.116 0.000 2.307 350 L HA 0.876 5.216 4.340 0.000 0.000 0.284 350 L C 0.496 177.398 176.870 0.053 0.000 1.023 350 L CA -0.700 54.181 54.840 0.070 0.000 0.810 350 L CB 1.308 43.390 42.059 0.037 0.000 1.231 350 L HN 0.868 nan 8.230 nan 0.000 0.423 351 G N 2.125 110.935 108.800 0.016 0.000 2.796 351 G HA2 -0.206 3.754 3.960 0.000 0.000 0.571 351 G HA3 -0.206 3.754 3.960 0.000 0.000 0.571 351 G C 0.016 174.811 174.900 -0.174 0.000 1.370 351 G CA -0.291 44.783 45.100 -0.044 0.000 0.856 351 G HN 0.695 nan 8.290 nan 0.000 0.538 352 D N -0.365 119.787 120.400 -0.413 0.000 2.264 352 D HA -0.018 4.622 4.640 0.000 0.000 0.208 352 D C 1.599 177.266 176.300 -1.054 0.000 0.966 352 D CA 1.611 55.162 54.000 -0.748 0.000 0.864 352 D CB 0.005 40.197 40.800 -1.015 0.000 0.933 352 D HN 0.532 nan 8.370 nan 0.000 0.499 353 W N 0.683 121.960 121.300 -0.039 0.000 3.223 353 W HA 0.236 4.896 4.660 0.000 0.000 0.389 353 W C 0.248 176.742 176.519 -0.041 0.000 1.118 353 W CA -0.365 56.928 57.345 -0.086 0.000 1.902 353 W CB 0.207 29.642 29.460 -0.040 0.000 1.094 353 W HN -0.298 nan 8.180 nan 0.000 0.666 354 S N 2.770 118.498 115.700 0.047 0.000 2.217 354 S HA 0.215 4.685 4.470 0.000 0.000 0.168 354 S C -2.221 172.446 174.600 0.111 0.000 1.526 354 S CA -0.939 57.348 58.200 0.145 0.000 1.150 354 S CB 0.148 63.467 63.200 0.198 0.000 1.158 354 S HN -0.099 nan 8.310 nan 0.000 0.473 355 P HA 0.102 nan 4.420 nan 0.000 0.272 355 P C 0.785 177.964 177.300 -0.202 0.000 1.223 355 P CA -0.222 62.807 63.100 -0.118 0.000 0.784 355 P CB 1.014 32.653 31.700 -0.101 0.000 0.923 356 E N 1.555 121.451 120.200 -0.506 0.000 2.130 356 E HA -0.226 4.124 4.350 0.000 0.000 0.196 356 E C 1.820 178.267 176.600 -0.256 0.000 0.998 356 E CA 1.575 57.499 56.400 -0.793 0.000 0.806 356 E CB -0.177 29.096 29.700 -0.713 0.000 0.738 356 E HN 0.407 nan 8.360 nan 0.000 0.459 357 S N -0.457 115.167 115.700 -0.128 0.000 2.387 357 S HA -0.216 4.254 4.470 0.000 0.000 0.230 357 S C 1.941 176.643 174.600 0.171 0.000 1.035 357 S CA 1.352 59.578 58.200 0.043 0.000 1.014 357 S CB -0.311 62.933 63.200 0.074 0.000 0.836 357 S HN 0.477 nan 8.310 nan 0.000 0.466 358 A N 0.385 123.298 122.820 0.155 0.000 1.969 358 A HA 0.160 4.480 4.320 0.000 0.000 0.218 358 A C 2.272 179.997 177.584 0.234 0.000 1.169 358 A CA 1.664 53.821 52.037 0.200 0.000 0.635 358 A CB -1.310 17.795 19.000 0.175 0.000 0.810 358 A HN 0.616 nan 8.150 nan 0.000 0.445 359 G N -0.624 108.381 108.800 0.342 0.000 2.430 359 G HA2 -0.100 3.860 3.960 0.000 0.000 0.216 359 G HA3 -0.100 3.860 3.960 0.000 0.000 0.216 359 G C 1.054 176.095 174.900 0.236 0.000 1.146 359 G CA 0.951 46.257 45.100 0.344 0.000 0.793 359 G HN 0.414 nan 8.290 nan 0.000 0.537 360 D N -0.253 120.220 120.400 0.122 0.000 2.178 360 D HA -0.057 4.583 4.640 0.000 0.000 0.201 360 D C 1.666 177.897 176.300 -0.116 0.000 0.980 360 D CA 1.004 54.971 54.000 -0.055 0.000 0.842 360 D CB -0.025 40.482 40.800 -0.489 0.000 0.948 360 D HN 0.540 nan 8.370 nan 0.000 0.472 361 Y N -0.974 119.439 120.300 0.187 0.000 2.609 361 Y HA 0.399 4.949 4.550 0.000 0.000 0.281 361 Y C 1.792 177.760 175.900 0.113 0.000 1.132 361 Y CA 0.356 58.540 58.100 0.139 0.000 1.264 361 Y CB 0.673 39.193 38.460 0.101 0.000 1.325 361 Y HN -0.071 nan 8.280 nan 0.000 0.514 362 A N -1.019 121.956 122.820 0.259 0.000 2.733 362 A HA 0.143 4.463 4.320 0.000 0.000 0.232 362 A C 1.575 179.221 177.584 0.103 0.000 1.251 362 A CA 0.494 52.632 52.037 0.167 0.000 1.015 362 A CB -0.710 18.382 19.000 0.154 0.000 1.291 362 A HN 0.209 nan 8.150 nan 0.000 0.595 363 S N -0.876 114.873 115.700 0.082 0.000 2.402 363 S HA 0.287 4.758 4.470 0.000 0.000 0.229 363 S C 1.675 176.252 174.600 -0.038 0.000 1.021 363 S CA 1.854 60.059 58.200 0.009 0.000 0.974 363 S CB -0.123 63.058 63.200 -0.031 0.000 0.800 363 S HN 1.982 nan 8.310 nan 0.000 0.484 364 G N 0.420 109.214 108.800 -0.011 0.000 2.336 364 G HA2 -0.151 3.809 3.960 0.000 0.000 0.194 364 G HA3 -0.151 3.809 3.960 0.000 0.000 0.194 364 G C 0.314 175.223 174.900 0.015 0.000 0.999 364 G CA 0.100 45.217 45.100 0.028 0.000 0.669 364 G HN 1.148 nan 8.290 nan 0.000 0.482 365 T N -0.423 114.011 114.554 -0.200 0.000 2.813 365 T HA 0.511 4.861 4.350 0.000 0.000 0.297 365 T C 0.179 174.966 174.700 0.144 0.000 1.036 365 T CA -0.105 61.892 62.100 -0.172 0.000 1.044 365 T CB 1.616 70.289 68.868 -0.325 0.000 0.993 365 T HN 0.219 nan 8.240 nan 0.000 0.535 366 N N 0.556 119.412 118.700 0.259 0.000 2.499 366 N HA 0.063 4.803 4.740 0.000 0.000 0.281 366 N C 0.983 176.609 175.510 0.193 0.000 1.098 366 N CA -0.383 52.809 53.050 0.236 0.000 0.979 366 N CB 0.756 39.445 38.487 0.336 0.000 1.121 366 N HN 0.992 nan 8.380 nan 0.000 0.466 367 H N 0.644 119.795 119.070 0.134 0.000 2.551 367 H HA 0.202 4.758 4.556 0.000 0.000 0.271 367 H C -0.371 175.012 175.328 0.092 0.000 0.984 367 H CA -0.289 55.833 56.048 0.123 0.000 1.164 367 H CB 0.359 30.162 29.762 0.068 0.000 1.437 367 H HN 0.031 nan 8.280 nan 0.000 0.550 368 V N 3.155 123.254 119.914 0.308 0.000 2.356 368 V HA 0.203 4.324 4.120 0.000 0.000 0.258 368 V C -0.158 176.030 176.094 0.157 0.000 1.065 368 V CA -0.123 62.323 62.300 0.244 0.000 0.935 368 V CB 0.391 32.336 31.823 0.203 0.000 1.061 368 V HN 0.287 nan 8.190 nan 0.000 0.484 369 L N 6.765 128.045 121.223 0.096 0.000 2.333 369 L HA 0.655 4.995 4.340 0.000 0.000 0.263 369 L C -2.295 174.594 176.870 0.033 0.000 1.014 369 L CA -2.023 52.841 54.840 0.039 0.000 0.820 369 L CB 2.800 44.826 42.059 -0.055 0.000 1.352 369 L HN 0.343 nan 8.230 nan 0.000 0.421 370 P HA 0.157 nan 4.420 nan 0.000 0.271 370 P C -0.788 176.560 177.300 0.079 0.000 1.216 370 P CA 0.038 63.191 63.100 0.089 0.000 0.776 370 P CB 1.786 33.542 31.700 0.093 0.000 0.881 371 T N 0.775 115.424 114.554 0.158 0.000 2.696 371 T HA 0.287 4.637 4.350 0.000 0.000 0.291 371 T C -0.512 174.266 174.700 0.129 0.000 1.095 371 T CA -0.488 61.673 62.100 0.102 0.000 1.026 371 T CB 0.076 68.997 68.868 0.089 0.000 1.390 371 T HN 0.475 nan 8.240 nan 0.000 0.513 372 Y N 0.063 120.274 120.300 -0.148 0.000 4.079 372 Y HA -0.286 4.264 4.550 0.000 0.000 0.223 372 Y C 1.087 176.695 175.900 -0.487 0.000 1.155 372 Y CA 1.295 59.225 58.100 -0.282 0.000 1.805 372 Y CB -1.171 37.130 38.460 -0.266 0.000 1.571 372 Y HN 1.405 nan 8.280 nan 0.000 0.654 373 G N -1.261 107.307 108.800 -0.386 0.000 2.234 373 G HA2 -0.413 3.547 3.960 0.000 0.000 0.235 373 G HA3 -0.413 3.547 3.960 0.000 0.000 0.235 373 G C 0.342 175.076 174.900 -0.278 0.000 0.997 373 G CA 0.239 45.081 45.100 -0.429 0.000 0.623 373 G HN 0.621 nan 8.290 nan 0.000 0.514 374 Y N 2.161 122.411 120.300 -0.083 0.000 2.736 374 Y HA -0.049 4.501 4.550 0.000 0.000 0.298 374 Y C 3.010 178.880 175.900 -0.050 0.000 1.156 374 Y CA 1.523 59.591 58.100 -0.053 0.000 1.384 374 Y CB -0.195 38.256 38.460 -0.015 0.000 0.976 374 Y HN 0.492 nan 8.280 nan 0.000 0.556 375 T N -3.290 111.291 114.554 0.046 0.000 3.051 375 T HA -0.081 4.269 4.350 0.000 0.000 0.269 375 T C 1.979 176.683 174.700 0.007 0.000 1.127 375 T CA 0.670 62.780 62.100 0.018 0.000 1.107 375 T CB -0.191 68.662 68.868 -0.024 0.000 0.898 375 T HN 0.381 nan 8.240 nan 0.000 0.517 376 A N 1.913 124.731 122.820 -0.003 0.000 2.014 376 A HA 0.075 4.395 4.320 0.000 0.000 0.218 376 A C 2.494 180.086 177.584 0.014 0.000 1.163 376 A CA 1.675 53.708 52.037 -0.007 0.000 0.652 376 A CB -0.619 18.363 19.000 -0.029 0.000 0.808 376 A HN 0.715 nan 8.150 nan 0.000 0.449 377 T N -6.120 108.456 114.554 0.038 0.000 3.051 377 T HA 0.218 4.568 4.350 0.000 0.000 0.254 377 T C 0.471 175.185 174.700 0.024 0.000 0.916 377 T CA 0.295 62.412 62.100 0.029 0.000 0.894 377 T CB -0.565 68.323 68.868 0.032 0.000 1.251 377 T HN 0.250 nan 8.240 nan 0.000 0.517 378 C N 2.372 121.695 119.300 0.039 0.000 2.335 378 C HA 0.877 5.337 4.460 0.000 0.000 0.363 378 C C 0.678 175.685 174.990 0.028 0.000 1.198 378 C CA -0.453 58.577 59.018 0.020 0.000 2.279 378 C CB 1.198 28.941 27.740 0.005 0.000 2.334 378 C HN 0.569 nan 8.230 nan 0.000 0.559 379 S N 0.104 115.819 115.700 0.025 0.000 2.726 379 S HA 0.523 4.994 4.470 0.000 0.000 0.308 379 S C -0.282 174.350 174.600 0.053 0.000 1.115 379 S CA -0.417 57.805 58.200 0.037 0.000 0.965 379 S CB 1.485 64.706 63.200 0.035 0.000 1.145 379 S HN 0.887 nan 8.310 nan 0.000 0.532 380 S N 0.604 116.342 115.700 0.064 0.000 2.568 380 S HA 0.169 4.639 4.470 0.000 0.000 0.282 380 S C -0.077 174.599 174.600 0.127 0.000 1.338 380 S CA -0.615 57.640 58.200 0.091 0.000 1.045 380 S CB -0.193 63.068 63.200 0.101 0.000 0.873 380 S HN 0.497 nan 8.310 nan 0.000 0.516 381 L N 4.824 126.146 121.223 0.164 0.000 2.540 381 L HA 0.528 4.868 4.340 0.000 0.000 0.276 381 L C 0.670 177.719 176.870 0.297 0.000 1.212 381 L CA 1.518 56.493 54.840 0.224 0.000 0.893 381 L CB -0.121 42.089 42.059 0.252 0.000 1.138 381 L HN 0.855 nan 8.230 nan 0.000 0.491 382 G N 3.255 112.243 108.800 0.313 0.000 2.749 382 G HA2 0.300 4.260 3.960 0.000 0.000 0.300 382 G HA3 0.300 4.260 3.960 0.000 0.000 0.300 382 G C -0.203 174.916 174.900 0.365 0.000 1.352 382 G CA -0.278 45.024 45.100 0.336 0.000 0.789 382 G HN 0.656 nan 8.290 nan 0.000 0.509 383 L N 0.720 122.108 121.223 0.276 0.000 2.042 383 L HA 0.040 4.380 4.340 0.000 0.000 0.210 383 L C 3.033 180.039 176.870 0.227 0.000 1.076 383 L CA 3.129 58.091 54.840 0.204 0.000 0.749 383 L CB -0.644 41.461 42.059 0.077 0.000 0.893 383 L HN 0.689 nan 8.230 nan 0.000 0.432 384 A N -1.186 121.726 122.820 0.154 0.000 2.024 384 A HA -0.229 4.091 4.320 0.000 0.000 0.220 384 A C 1.909 179.575 177.584 0.138 0.000 1.164 384 A CA 1.884 53.991 52.037 0.117 0.000 0.643 384 A CB -0.734 18.306 19.000 0.066 0.000 0.806 384 A HN 0.592 nan 8.150 nan 0.000 0.451 385 D N -1.477 119.038 120.400 0.192 0.000 2.347 385 D HA -0.008 4.632 4.640 0.000 0.000 0.215 385 D C 0.186 176.493 176.300 0.012 0.000 0.976 385 D CA 0.746 54.803 54.000 0.096 0.000 0.884 385 D CB -0.074 40.790 40.800 0.108 0.000 0.915 385 D HN 0.552 nan 8.370 nan 0.000 0.526 386 F N 0.744 120.775 119.950 0.134 0.000 2.647 386 F HA 0.266 4.793 4.527 0.000 0.000 0.300 386 F C 0.903 176.743 175.800 0.067 0.000 1.106 386 F CA -0.152 57.909 58.000 0.101 0.000 1.313 386 F CB 0.445 39.414 39.000 -0.050 0.000 1.007 386 F HN -0.279 nan 8.300 nan 0.000 0.536 387 Q N -0.311 119.595 119.800 0.177 0.000 2.683 387 Q HA 0.641 4.981 4.340 0.000 0.000 0.302 387 Q C -1.066 174.973 176.000 0.064 0.000 1.042 387 Q CA -1.311 54.557 55.803 0.108 0.000 0.773 387 Q CB 2.758 31.550 28.738 0.091 0.000 1.508 387 Q HN 0.027 nan 8.270 nan 0.000 0.459 388 K N 0.430 120.857 120.400 0.045 0.000 2.498 388 K HA 0.559 4.879 4.320 0.000 0.000 0.254 388 K C -1.006 175.607 176.600 0.021 0.000 0.933 388 K CA -0.800 55.502 56.287 0.026 0.000 0.806 388 K CB 2.751 35.263 32.500 0.020 0.000 1.301 388 K HN 0.310 nan 8.250 nan 0.000 0.432 392 V N 3.712 123.632 119.914 0.010 0.000 2.808 392 V HA 0.791 4.911 4.120 0.000 0.000 0.308 392 V C -1.001 175.101 176.094 0.013 0.000 1.099 392 V CA -0.863 61.443 62.300 0.010 0.000 0.920 392 V CB 2.048 33.875 31.823 0.008 0.000 1.014 392 V HN 0.931 nan 8.190 nan 0.000 0.425 393 Q N 2.704 122.513 119.800 0.015 0.000 2.416 393 Q HA 0.778 5.119 4.340 0.000 0.000 0.281 393 Q C -1.432 174.581 176.000 0.021 0.000 1.067 393 Q CA -0.872 54.943 55.803 0.020 0.000 0.809 393 Q CB 3.543 32.296 28.738 0.025 0.000 1.418 393 Q HN 0.809 nan 8.270 nan 0.000 0.411 394 E N 2.365 122.579 120.200 0.024 0.000 2.294 394 E HA 0.424 4.774 4.350 0.000 0.000 0.272 394 E C -1.808 174.815 176.600 0.038 0.000 0.896 394 E CA -0.565 55.850 56.400 0.025 0.000 0.802 394 E CB 1.414 31.123 29.700 0.015 0.000 1.267 394 E HN 0.537 nan 8.360 nan 0.000 0.406 395 L N 3.130 124.387 121.223 0.057 0.000 2.309 395 L HA 0.447 4.787 4.340 0.000 0.000 0.282 395 L C 0.436 177.354 176.870 0.079 0.000 1.036 395 L CA -0.344 54.548 54.840 0.088 0.000 0.806 395 L CB 1.623 43.779 42.059 0.160 0.000 1.220 395 L HN 0.632 nan 8.230 nan 0.000 0.429 396 S N 1.589 117.335 115.700 0.077 0.000 2.681 396 S HA 0.369 4.839 4.470 0.000 0.000 0.270 396 S C 0.989 175.652 174.600 0.106 0.000 1.209 396 S CA -0.609 57.627 58.200 0.061 0.000 0.988 396 S CB 0.845 64.073 63.200 0.046 0.000 1.006 396 S HN 0.588 nan 8.310 nan 0.000 0.558 397 K N 0.555 121.002 120.400 0.078 0.000 2.063 397 K HA -0.152 4.168 4.320 0.000 0.000 0.208 397 K C 2.015 178.714 176.600 0.166 0.000 1.048 397 K CA 1.932 58.290 56.287 0.118 0.000 0.928 397 K CB -0.357 32.180 32.500 0.061 0.000 0.713 397 K HN 0.594 nan 8.250 nan 0.000 0.442 398 E N 0.254 120.513 120.200 0.098 0.000 2.051 398 E HA -0.124 4.226 4.350 0.000 0.000 0.192 398 E C 2.166 178.809 176.600 0.071 0.000 0.991 398 E CA 1.421 57.865 56.400 0.073 0.000 0.799 398 E CB -0.662 29.065 29.700 0.044 0.000 0.748 398 E HN 0.452 nan 8.360 nan 0.000 0.449 399 G N 0.167 109.015 108.800 0.080 0.000 2.418 399 G HA2 -0.284 3.677 3.960 0.000 0.000 0.217 399 G HA3 -0.284 3.677 3.960 0.000 0.000 0.217 399 G C 1.525 176.467 174.900 0.072 0.000 1.158 399 G CA 0.711 45.849 45.100 0.063 0.000 0.771 399 G HN 0.311 nan 8.290 nan 0.000 0.545 400 F N 2.226 122.177 119.950 0.002 0.000 2.102 400 F HA -0.077 4.450 4.527 0.000 0.000 0.298 400 F C 2.837 178.639 175.800 0.003 0.000 1.105 400 F CA 1.907 59.909 58.000 0.003 0.000 1.239 400 F CB -0.265 38.736 39.000 0.002 0.000 0.991 400 F HN 0.144 nan 8.300 nan 0.000 0.474 401 S N 0.643 116.323 115.700 -0.032 0.000 2.383 401 S HA -0.181 4.289 4.470 0.000 0.000 0.229 401 S C 2.193 176.684 174.600 -0.182 0.000 1.030 401 S CA 1.129 59.254 58.200 -0.125 0.000 1.002 401 S CB -0.862 62.373 63.200 0.058 0.000 0.829 401 S HN 0.554 nan 8.310 nan 0.000 0.467 402 A N 0.039 122.790 122.820 -0.114 0.000 2.119 402 A HA 0.180 4.500 4.320 0.000 0.000 0.217 402 A C 1.827 179.336 177.584 -0.126 0.000 1.153 402 A CA 0.729 52.711 52.037 -0.093 0.000 0.692 402 A CB -0.192 18.780 19.000 -0.046 0.000 0.799 402 A HN 0.398 nan 8.150 nan 0.000 0.458 403 L N -1.936 119.169 121.223 -0.197 0.000 2.638 403 L HA 0.414 4.754 4.340 0.000 0.000 0.232 403 L C 2.345 179.062 176.870 -0.256 0.000 1.099 403 L CA 0.995 55.725 54.840 -0.183 0.000 0.883 403 L CB -0.316 41.660 42.059 -0.140 0.000 1.136 403 L HN 0.269 nan 8.230 nan 0.000 0.492 404 A N -0.308 122.261 122.820 -0.418 0.000 1.873 404 A HA -0.284 4.036 4.320 0.000 0.000 0.218 404 A C 2.474 179.943 177.584 -0.192 0.000 1.193 404 A CA 2.399 54.184 52.037 -0.421 0.000 0.629 404 A CB -1.088 17.595 19.000 -0.528 0.000 0.826 404 A HN 0.582 nan 8.150 nan 0.000 0.447 405 S N -1.138 114.478 115.700 -0.140 0.000 2.383 405 S HA -0.172 4.298 4.470 0.000 0.000 0.229 405 S C 1.850 176.413 174.600 -0.062 0.000 1.030 405 S CA 2.042 60.195 58.200 -0.079 0.000 1.002 405 S CB -1.263 61.900 63.200 -0.061 0.000 0.829 405 S HN 0.514 nan 8.310 nan 0.000 0.467 406 T N 2.821 117.333 114.554 -0.071 0.000 2.708 406 T HA 0.111 4.461 4.350 0.000 0.000 0.266 406 T C 1.749 176.426 174.700 -0.039 0.000 1.037 406 T CA 1.578 63.648 62.100 -0.050 0.000 1.146 406 T CB -0.507 68.331 68.868 -0.050 0.000 0.865 406 T HN 0.439 nan 8.240 nan 0.000 0.435 407 I N 0.903 121.443 120.570 -0.050 0.000 2.179 407 I HA -0.165 4.005 4.170 0.000 0.000 0.242 407 I C 2.648 178.764 176.117 -0.002 0.000 1.088 407 I CA 1.417 62.706 61.300 -0.020 0.000 1.357 407 I CB -0.436 37.553 38.000 -0.018 0.000 1.051 407 I HN 0.302 nan 8.210 nan 0.000 0.409 408 E N 0.406 120.599 120.200 -0.012 0.000 2.077 408 E HA -0.193 4.157 4.350 0.000 0.000 0.193 408 E C 2.191 178.791 176.600 0.000 0.000 0.989 408 E CA 1.944 58.347 56.400 0.004 0.000 0.800 408 E CB -0.146 29.553 29.700 -0.002 0.000 0.746 408 E HN 0.469 nan 8.360 nan 0.000 0.452 409 T N 1.648 116.196 114.554 -0.011 0.000 2.652 409 T HA -0.161 4.189 4.350 0.000 0.000 0.267 409 T C 1.987 176.680 174.700 -0.011 0.000 1.039 409 T CA 1.048 63.141 62.100 -0.011 0.000 1.153 409 T CB -0.275 68.584 68.868 -0.016 0.000 0.863 409 T HN 0.086 nan 8.240 nan 0.000 0.428 410 L N 0.767 121.982 121.223 -0.012 0.000 2.017 410 L HA -0.083 4.257 4.340 0.000 0.000 0.208 410 L C 3.108 179.965 176.870 -0.021 0.000 1.073 410 L CA 1.298 56.128 54.840 -0.016 0.000 0.745 410 L CB -0.802 41.248 42.059 -0.014 0.000 0.894 410 L HN 0.239 nan 8.230 nan 0.000 0.432 411 A N 0.213 123.028 122.820 -0.009 0.000 1.908 411 A HA -0.194 4.126 4.320 0.000 0.000 0.218 411 A C 2.541 180.115 177.584 -0.016 0.000 1.181 411 A CA 1.893 53.923 52.037 -0.013 0.000 0.627 411 A CB -0.752 18.277 19.000 0.049 0.000 0.818 411 A HN 0.413 nan 8.150 nan 0.000 0.445 412 A N -0.279 122.540 122.820 -0.003 0.000 1.933 412 A HA 0.185 4.505 4.320 0.000 0.000 0.218 412 A C 2.468 180.045 177.584 -0.013 0.000 1.175 412 A CA 1.964 53.999 52.037 -0.003 0.000 0.628 412 A CB -0.927 18.074 19.000 0.001 0.000 0.814 412 A HN 1.079 nan 8.150 nan 0.000 0.444 413 A N -0.145 122.665 122.820 -0.017 0.000 1.972 413 A HA -0.133 4.187 4.320 0.000 0.000 0.219 413 A C 1.776 179.343 177.584 -0.028 0.000 1.169 413 A CA 1.461 53.486 52.037 -0.020 0.000 0.635 413 A CB -0.390 18.598 19.000 -0.019 0.000 0.810 413 A HN 0.632 nan 8.150 nan 0.000 0.446 414 E N -0.912 119.264 120.200 -0.041 0.000 2.489 414 E HA 0.058 4.408 4.350 0.000 0.000 0.193 414 E C -0.316 176.252 176.600 -0.053 0.000 1.057 414 E CA -0.223 56.143 56.400 -0.056 0.000 0.866 414 E CB 0.022 29.667 29.700 -0.091 0.000 0.916 414 E HN 0.446 nan 8.360 nan 0.000 0.500 415 R N 0.297 120.776 120.500 -0.036 0.000 3.423 415 R HA -0.168 4.172 4.340 0.000 0.000 0.271 415 R C -0.613 175.673 176.300 -0.023 0.000 1.093 415 R CA 0.412 56.499 56.100 -0.022 0.000 0.730 415 R CB -2.113 28.177 30.300 -0.017 0.000 1.190 415 R HN 0.207 nan 8.270 nan 0.000 0.437 416 L N 0.502 121.704 121.223 -0.035 0.000 2.435 416 L HA 0.176 4.516 4.340 0.000 0.000 0.253 416 L C 1.492 178.402 176.870 0.066 0.000 1.087 416 L CA -0.398 54.431 54.840 -0.018 0.000 0.950 416 L CB 1.408 43.339 42.059 -0.214 0.000 1.304 416 L HN 0.093 nan 8.230 nan 0.000 0.453 417 T N 0.356 114.947 114.554 0.063 0.000 2.720 417 T HA -0.230 4.120 4.350 0.000 0.000 0.268 417 T C 1.993 176.747 174.700 0.089 0.000 1.037 417 T CA 1.793 63.931 62.100 0.064 0.000 1.144 417 T CB 0.167 69.060 68.868 0.042 0.000 0.864 417 T HN 0.669 nan 8.240 nan 0.000 0.444 418 A N 1.022 123.909 122.820 0.113 0.000 1.972 418 A HA -0.147 4.173 4.320 0.000 0.000 0.219 418 A C 1.965 179.594 177.584 0.076 0.000 1.169 418 A CA 1.661 53.746 52.037 0.080 0.000 0.635 418 A CB -0.771 18.263 19.000 0.057 0.000 0.810 418 A HN 0.554 nan 8.150 nan 0.000 0.446 419 H N -0.559 118.522 119.070 0.018 0.000 2.389 419 H HA -0.033 4.523 4.556 0.000 0.000 0.299 419 H C 2.035 177.381 175.328 0.031 0.000 1.081 419 H CA 1.741 57.803 56.048 0.024 0.000 1.345 419 H CB 0.011 29.785 29.762 0.019 0.000 1.393 419 H HN 0.539 nan 8.280 nan 0.000 0.520 420 K N 0.346 120.839 120.400 0.156 0.000 2.062 420 K HA -0.121 4.199 4.320 0.000 0.000 0.205 420 K C 1.461 178.106 176.600 0.076 0.000 1.051 420 K CA 1.191 57.534 56.287 0.094 0.000 0.941 420 K CB 0.183 32.722 32.500 0.064 0.000 0.719 420 K HN 0.172 nan 8.250 nan 0.000 0.440 421 N N 0.996 119.735 118.700 0.064 0.000 2.289 421 N HA -0.130 4.610 4.740 0.000 0.000 0.184 421 N C 1.488 177.026 175.510 0.047 0.000 1.016 421 N CA 1.209 54.287 53.050 0.047 0.000 0.872 421 N CB -0.309 38.199 38.487 0.034 0.000 0.973 421 N HN 0.290 nan 8.380 nan 0.000 0.433 422 A N 0.155 123.001 122.820 0.042 0.000 2.015 422 A HA -0.031 4.289 4.320 0.000 0.000 0.219 422 A C 2.326 179.967 177.584 0.095 0.000 1.163 422 A CA 0.998 53.056 52.037 0.035 0.000 0.646 422 A CB -0.334 18.665 19.000 -0.003 0.000 0.806 422 A HN 0.114 nan 8.150 nan 0.000 0.448 423 V N -0.925 119.074 119.914 0.142 0.000 2.379 423 V HA -0.144 3.977 4.120 0.000 0.000 0.243 423 V C 2.663 178.896 176.094 0.231 0.000 1.035 423 V CA 2.194 64.647 62.300 0.256 0.000 1.035 423 V CB -1.190 30.725 31.823 0.153 0.000 0.673 423 V HN 0.541 nan 8.190 nan 0.000 0.457 424 T N 0.982 115.611 114.554 0.125 0.000 2.665 424 T HA -0.215 4.135 4.350 0.000 0.000 0.268 424 T C 1.923 176.676 174.700 0.088 0.000 1.035 424 T CA 1.781 63.937 62.100 0.093 0.000 1.151 424 T CB -0.384 68.518 68.868 0.057 0.000 0.862 424 T HN 0.256 nan 8.240 nan 0.000 0.438 425 L N 0.166 121.429 121.223 0.067 0.000 2.042 425 L HA -0.126 4.214 4.340 0.000 0.000 0.210 425 L C 2.909 179.797 176.870 0.030 0.000 1.076 425 L CA 1.491 56.352 54.840 0.036 0.000 0.749 425 L CB -0.415 41.651 42.059 0.013 0.000 0.893 425 L HN 0.178 nan 8.230 nan 0.000 0.432 426 R N -0.965 119.559 120.500 0.041 0.000 2.092 426 R HA -0.093 4.247 4.340 0.000 0.000 0.231 426 R C 2.219 178.577 176.300 0.096 0.000 1.119 426 R CA 0.958 57.032 56.100 -0.043 0.000 0.970 426 R CB -0.346 29.765 30.300 -0.315 0.000 0.864 426 R HN 0.168 nan 8.270 nan 0.000 0.440 427 V N 1.832 121.894 119.914 0.246 0.000 2.358 427 V HA -0.234 3.886 4.120 0.000 0.000 0.246 427 V C 1.660 177.821 176.094 0.112 0.000 1.047 427 V CA 1.686 64.124 62.300 0.230 0.000 1.035 427 V CB -0.457 31.467 31.823 0.169 0.000 0.658 427 V HN 0.343 nan 8.190 nan 0.000 0.452 428 N N 0.546 119.291 118.700 0.076 0.000 2.188 428 N HA -0.064 4.676 4.740 0.000 0.000 0.184 428 N C 1.877 177.406 175.510 0.031 0.000 1.018 428 N CA 1.504 54.581 53.050 0.045 0.000 0.858 428 N CB -0.422 38.085 38.487 0.033 0.000 0.989 428 N HN 0.483 nan 8.380 nan 0.000 0.426 429 A N 1.107 123.940 122.820 0.022 0.000 1.933 429 A HA -0.033 4.287 4.320 0.000 0.000 0.218 429 A C 2.342 179.931 177.584 0.008 0.000 1.175 429 A CA 0.859 52.898 52.037 0.002 0.000 0.628 429 A CB -0.638 18.348 19.000 -0.023 0.000 0.814 429 A HN 0.199 nan 8.150 nan 0.000 0.444 430 L N -0.811 120.428 121.223 0.027 0.000 2.109 430 L HA -0.166 4.174 4.340 0.000 0.000 0.207 430 L C 2.549 179.441 176.870 0.035 0.000 1.086 430 L CA 1.413 56.275 54.840 0.036 0.000 0.760 430 L CB -0.350 41.756 42.059 0.079 0.000 0.910 430 L HN 0.355 nan 8.230 nan 0.000 0.437 431 K N -0.364 120.059 120.400 0.038 0.000 2.002 431 K HA -0.213 4.107 4.320 0.000 0.000 0.209 431 K C 2.043 178.655 176.600 0.019 0.000 1.048 431 K CA 1.256 57.560 56.287 0.029 0.000 0.930 431 K CB -0.215 32.301 32.500 0.028 0.000 0.714 431 K HN 0.213 nan 8.250 nan 0.000 0.438 432 E N 1.855 122.065 120.200 0.016 0.000 2.007 432 E HA -0.309 4.041 4.350 0.000 0.000 0.203 432 E C 2.146 178.750 176.600 0.007 0.000 1.020 432 E CA 2.196 58.602 56.400 0.010 0.000 0.845 432 E CB -0.198 29.506 29.700 0.007 0.000 0.779 432 E HN 0.428 nan 8.360 nan 0.000 0.466 433 Q N 0.272 120.075 119.800 0.005 0.000 2.290 433 Q HA -0.139 4.201 4.340 0.000 0.000 0.211 433 Q C 0.478 176.481 176.000 0.005 0.000 0.991 433 Q CA 1.624 57.429 55.803 0.002 0.000 0.893 433 Q CB -0.146 28.591 28.738 -0.001 0.000 0.913 433 Q HN 0.227 nan 8.270 nan 0.000 0.428 434 A N 0.000 122.826 122.820 0.009 0.000 2.254 434 A HA 0.000 4.320 4.320 0.000 0.000 0.244 434 A CA 0.000 52.043 52.037 0.010 0.000 0.836 434 A CB 0.000 19.006 19.000 0.010 0.000 0.831 434 A HN 0.000 nan 8.150 nan 0.000 0.486