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 1br2_1_A DATA FIRST_RESID 34 DATA SEQUENCE LVWVPSEKHG FEAASIXXXX XXEVTVELQE NGKKVTLSKD DIQKMNPPKF DATA SEQUENCE SKVEDMAELT CLNEASVLHN LRERYFSGLI YTYSGLFCVV INPYKQLPIY DATA SEQUENCE SEKIIDMYKG KKRHEMPPHI YAIADTAYRS MLQDREDQSI LCTGESGAGK DATA SEQUENCE TENTKKVIQY LAVVASXXXX XXXXXXXXXX XXXXGELEKQ LLQANPILEA DATA SEQUENCE FGNAKTVKND NSSRFGKFIR INFDVTGYIV GANIETYLLE KSRAIRQAKD DATA SEQUENCE ERTFHIFYYL IAGASEQMRN DLLLEGFNNY TFLSNGHVPI PAQQDDEMFQ DATA SEQUENCE ETLEAMTIMG FTEEEQTSIL RVVSSVLQLG NIVFKKEXXX XQASMPDNTA DATA SEQUENCE AQKVCHLMGI NVTDFTRSIL TPXXXXXXXX XXKAQTKEQA DFAIEALAKA DATA SEQUENCE KFERLFRWIL TRVNKALDXX XXXXASFLGI LDIAGFEIFE INSFEQLCIN DATA SEQUENCE YTNEKLQQLF NHTMFILEQE EYQREGIEWN FIDFGLDLQP CIELIERPTN DATA SEQUENCE PPGVLALLDE ECXXXXATDT SFVEKLIQEQ GNHAKFQKSX XXXXKTEFCI DATA SEQUENCE LHYAGKVTYN ASAWLTKNMD PLNDNVTSLL NQSSDKFVAD LWKXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXRTVGQLY KEQLTKLMTT LRNTNPNFVR DATA SEQUENCE CIIPNHEKRA GKLDAHLVLE QLRCNGVLEG IRICRQGFPN RIVFQEFRQR DATA SEQUENCE YEILAANAIP KGFMDGKQAC ILMIKALELD PNLYRIGQSK IFFRTGVLAH DATA SEQUENCE LEEERD 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 34 L HA 0.000 nan 4.340 nan 0.000 0.249 34 L C 0.000 176.729 176.870 -0.235 0.000 1.165 34 L CA 0.000 54.733 54.840 -0.178 0.000 0.813 34 L CB 0.000 41.936 42.059 -0.205 0.000 0.961 35 V N 2.305 122.041 119.914 -0.296 0.000 3.203 35 V HA 0.594 4.715 4.120 0.001 0.000 0.305 35 V C -1.757 174.105 176.094 -0.387 0.000 1.361 35 V CA -0.652 61.463 62.300 -0.308 0.000 1.066 35 V CB 2.785 34.542 31.823 -0.109 0.000 1.085 35 V HN 0.738 nan 8.190 nan 0.000 0.456 36 W N 1.909 123.203 121.300 -0.009 0.000 2.329 36 W HA 0.677 5.338 4.660 0.002 0.000 0.312 36 W C -0.378 176.222 176.519 0.136 0.000 1.054 36 W CA -0.781 56.584 57.345 0.034 0.000 1.245 36 W CB 1.836 31.252 29.460 -0.074 0.000 1.255 36 W HN 0.548 nan 8.180 nan 0.000 0.436 37 V N 2.423 122.612 119.914 0.458 0.000 2.715 37 V HA 0.666 4.787 4.120 0.001 0.000 0.310 37 V C -2.263 174.054 176.094 0.372 0.000 1.054 37 V CA -3.379 59.128 62.300 0.346 0.000 0.928 37 V CB 1.440 33.379 31.823 0.193 0.000 1.007 37 V HN 0.260 nan 8.190 nan 0.000 0.437 38 P HA 0.228 nan 4.420 nan 0.000 0.269 38 P C -0.278 177.008 177.300 -0.023 0.000 1.211 38 P CA 0.454 63.494 63.100 -0.100 0.000 0.781 38 P CB 0.935 32.575 31.700 -0.100 0.000 0.877 39 S N -0.601 115.045 115.700 -0.090 0.000 2.565 39 S HA 0.232 4.703 4.470 0.001 0.000 0.269 39 S C 0.545 175.188 174.600 0.071 0.000 1.153 39 S CA -0.597 57.627 58.200 0.040 0.000 0.835 39 S CB 1.418 64.720 63.200 0.171 0.000 1.122 39 S HN 0.387 nan 8.310 nan 0.000 0.462 40 E N 1.155 121.377 120.200 0.037 0.000 2.042 40 E HA 0.000 4.351 4.350 0.001 0.000 0.189 40 E C 1.472 178.068 176.600 -0.007 0.000 0.974 40 E CA 0.622 57.026 56.400 0.007 0.000 0.806 40 E CB -0.028 29.635 29.700 -0.062 0.000 0.769 40 E HN 0.608 nan 8.360 nan 0.000 0.451 41 K N 0.539 120.822 120.400 -0.195 0.000 2.032 41 K HA -0.102 4.218 4.320 0.001 0.000 0.209 41 K C 0.383 176.660 176.600 -0.537 0.000 1.048 41 K CA 1.303 57.303 56.287 -0.478 0.000 0.927 41 K CB -0.424 31.557 32.500 -0.865 0.000 0.712 41 K HN 0.328 nan 8.250 nan 0.000 0.441 42 H N -1.903 117.218 119.070 0.084 0.000 2.637 42 H HA 0.357 4.914 4.556 0.001 0.000 0.363 42 H C 1.121 176.373 175.328 -0.127 0.000 1.131 42 H CA -0.342 55.717 56.048 0.018 0.000 1.183 42 H CB 1.590 31.396 29.762 0.074 0.000 1.637 42 H HN 0.052 nan 8.280 nan 0.000 0.531 43 G N 1.521 110.151 108.800 -0.284 0.000 2.606 43 G HA2 -0.225 3.736 3.960 0.001 0.000 0.221 43 G HA3 -0.225 3.736 3.960 0.001 0.000 0.221 43 G C -0.213 174.248 174.900 -0.732 0.000 1.152 43 G CA 1.212 45.906 45.100 -0.677 0.000 0.765 43 G HN 0.396 nan 8.290 nan 0.000 0.595 44 F N -1.932 117.999 119.950 -0.031 0.000 2.629 44 F HA 0.678 5.205 4.527 0.001 0.000 0.316 44 F C -0.155 175.777 175.800 0.220 0.000 1.081 44 F CA -1.040 57.000 58.000 0.066 0.000 0.954 44 F CB 2.245 41.194 39.000 -0.085 0.000 1.337 44 F HN -0.056 nan 8.300 nan 0.000 0.474 45 E N 0.417 120.952 120.200 0.557 0.000 2.340 45 E HA 0.753 5.104 4.350 0.001 0.000 0.273 45 E C -1.426 175.448 176.600 0.457 0.000 0.891 45 E CA -1.101 55.577 56.400 0.464 0.000 0.757 45 E CB 2.260 32.131 29.700 0.285 0.000 1.231 45 E HN 0.732 nan 8.360 nan 0.000 0.439 46 A N 1.770 124.700 122.820 0.185 0.000 2.366 46 A HA 0.693 5.014 4.320 0.001 0.000 0.272 46 A C -0.672 176.851 177.584 -0.102 0.000 1.135 46 A CA 0.264 52.160 52.037 -0.235 0.000 0.804 46 A CB 0.498 19.261 19.000 -0.395 0.000 1.064 46 A HN 0.509 nan 8.150 nan 0.000 0.499 47 A N 2.252 124.994 122.820 -0.130 0.000 2.547 47 A HA 0.691 5.012 4.320 0.001 0.000 0.297 47 A C -0.177 177.354 177.584 -0.089 0.000 1.056 47 A CA -0.468 51.532 52.037 -0.062 0.000 0.688 47 A CB 1.053 20.058 19.000 0.007 0.000 1.282 47 A HN 1.101 nan 8.150 nan 0.000 0.400 48 S N 2.753 118.413 115.700 -0.068 0.000 2.525 48 S HA 0.556 5.027 4.470 0.001 0.000 0.278 48 S C 0.728 175.306 174.600 -0.038 0.000 1.234 48 S CA -0.736 57.425 58.200 -0.065 0.000 1.058 48 S CB 0.535 63.702 63.200 -0.056 0.000 0.983 48 S HN 0.540 nan 8.310 nan 0.000 0.495 57 V N 0.928 120.854 119.914 0.020 0.000 2.876 57 V HA 0.873 4.994 4.120 0.001 0.000 0.312 57 V C -0.328 175.777 176.094 0.018 0.000 1.085 57 V CA -0.494 61.817 62.300 0.018 0.000 0.945 57 V CB 2.500 34.336 31.823 0.021 0.000 1.017 57 V HN 0.952 nan 8.190 nan 0.000 0.428 58 T N 3.542 118.104 114.554 0.013 0.000 2.864 58 T HA 0.572 4.923 4.350 0.001 0.000 0.310 58 T C -0.268 174.438 174.700 0.010 0.000 1.040 58 T CA -0.320 61.788 62.100 0.013 0.000 0.977 58 T CB 1.154 70.028 68.868 0.010 0.000 0.976 58 T HN 0.714 nan 8.240 nan 0.000 0.459 59 V N -0.514 119.408 119.914 0.014 0.000 3.284 59 V HA 1.088 5.209 4.120 0.001 0.000 0.309 59 V C -0.265 175.835 176.094 0.009 0.000 1.190 59 V CA -1.046 61.258 62.300 0.008 0.000 1.038 59 V CB 1.409 33.239 31.823 0.011 0.000 1.198 59 V HN 0.841 nan 8.190 nan 0.000 0.465 60 E N 1.096 121.298 120.200 0.003 0.000 2.283 60 E HA 0.622 4.973 4.350 0.001 0.000 0.258 60 E C -0.673 175.930 176.600 0.005 0.000 0.893 60 E CA -0.797 55.607 56.400 0.005 0.000 0.798 60 E CB 1.067 30.767 29.700 -0.001 0.000 1.242 60 E HN 0.917 nan 8.360 nan 0.000 0.414 61 L N 1.300 122.535 121.223 0.020 0.000 2.525 61 L HA 0.314 4.655 4.340 0.001 0.000 0.278 61 L C 2.313 179.191 176.870 0.013 0.000 1.218 61 L CA 0.677 55.534 54.840 0.028 0.000 0.878 61 L CB 0.181 42.271 42.059 0.052 0.000 1.127 61 L HN 0.893 nan 8.230 nan 0.000 0.492 62 Q N 2.489 122.289 119.800 0.001 0.000 2.311 62 Q HA -0.017 4.324 4.340 0.001 0.000 0.203 62 Q C 1.942 177.946 176.000 0.006 0.000 0.954 62 Q CA 1.459 57.257 55.803 -0.009 0.000 0.885 62 Q CB -0.656 28.062 28.738 -0.035 0.000 0.963 62 Q HN 0.901 nan 8.270 nan 0.000 0.471 63 E N 0.529 120.743 120.200 0.023 0.000 2.022 63 E HA -0.063 4.288 4.350 0.001 0.000 0.193 63 E C 2.156 178.779 176.600 0.038 0.000 0.969 63 E CA 1.492 57.912 56.400 0.034 0.000 0.834 63 E CB -1.560 28.174 29.700 0.056 0.000 0.798 63 E HN 0.918 nan 8.360 nan 0.000 0.467 64 N N -0.325 118.406 118.700 0.052 0.000 2.104 64 N HA 0.134 4.875 4.740 0.001 0.000 0.190 64 N C 2.339 177.866 175.510 0.030 0.000 1.024 64 N CA 3.015 56.091 53.050 0.044 0.000 0.853 64 N CB -0.512 38.006 38.487 0.052 0.000 1.008 64 N HN 1.545 nan 8.380 nan 0.000 0.424 65 G N -2.236 106.580 108.800 0.026 0.000 2.299 65 G HA2 0.151 4.112 3.960 0.001 0.000 0.237 65 G HA3 0.151 4.112 3.960 0.001 0.000 0.237 65 G C 0.768 175.678 174.900 0.017 0.000 1.027 65 G CA 1.272 46.382 45.100 0.016 0.000 0.619 65 G HN 1.650 nan 8.290 nan 0.000 0.513 66 K N 1.864 122.277 120.400 0.023 0.000 2.440 66 K HA 0.369 4.689 4.320 0.001 0.000 0.275 66 K C 0.688 177.301 176.600 0.021 0.000 1.082 66 K CA 1.255 57.555 56.287 0.022 0.000 1.135 66 K CB -0.057 32.458 32.500 0.026 0.000 0.864 66 K HN 0.870 nan 8.250 nan 0.000 0.479 67 K N 1.785 122.194 120.400 0.016 0.000 2.368 67 K HA 0.479 4.799 4.320 0.001 0.000 0.282 67 K C -0.306 176.305 176.600 0.018 0.000 1.035 67 K CA 0.412 56.708 56.287 0.015 0.000 0.973 67 K CB 0.401 32.907 32.500 0.010 0.000 0.957 67 K HN 0.594 nan 8.250 nan 0.000 0.474 68 V N 2.040 121.967 119.914 0.021 0.000 3.074 68 V HA 0.526 4.646 4.120 0.001 0.000 0.314 68 V C -0.390 175.717 176.094 0.023 0.000 1.117 68 V CA -0.815 61.499 62.300 0.024 0.000 1.014 68 V CB 2.378 34.221 31.823 0.033 0.000 1.057 68 V HN 0.736 nan 8.190 nan 0.000 0.438 69 T N 4.301 118.868 114.554 0.022 0.000 2.934 69 T HA 0.648 4.999 4.350 0.001 0.000 0.328 69 T C -0.681 174.034 174.700 0.025 0.000 1.068 69 T CA -0.090 62.022 62.100 0.021 0.000 1.018 69 T CB 0.364 69.241 68.868 0.016 0.000 1.009 69 T HN 1.060 nan 8.240 nan 0.000 0.471 70 L N 0.433 121.675 121.223 0.031 0.000 2.301 70 L HA 0.925 5.265 4.340 0.001 0.000 0.264 70 L C 0.534 177.426 176.870 0.036 0.000 1.016 70 L CA -1.065 53.797 54.840 0.036 0.000 0.821 70 L CB 1.097 43.185 42.059 0.050 0.000 1.346 70 L HN 0.385 nan 8.230 nan 0.000 0.429 71 S N 0.073 115.795 115.700 0.037 0.000 2.572 71 S HA 0.272 4.743 4.470 0.001 0.000 0.262 71 S C 1.376 176.000 174.600 0.040 0.000 1.375 71 S CA 0.646 58.866 58.200 0.034 0.000 0.996 71 S CB 0.639 63.860 63.200 0.035 0.000 0.892 71 S HN 1.050 nan 8.310 nan 0.000 0.562 72 K N 1.211 121.631 120.400 0.034 0.000 2.044 72 K HA 0.048 4.369 4.320 0.001 0.000 0.204 72 K C 2.234 178.861 176.600 0.045 0.000 1.049 72 K CA 2.006 58.313 56.287 0.034 0.000 0.945 72 K CB -2.161 30.353 32.500 0.024 0.000 0.724 72 K HN 0.960 nan 8.250 nan 0.000 0.440 73 D N 1.515 121.940 120.400 0.042 0.000 2.354 73 D HA -0.163 4.478 4.640 0.001 0.000 0.216 73 D C 1.560 177.905 176.300 0.074 0.000 0.970 73 D CA 1.179 55.209 54.000 0.049 0.000 0.905 73 D CB -0.472 40.352 40.800 0.040 0.000 0.903 73 D HN 0.577 nan 8.370 nan 0.000 0.508 74 D N -0.810 119.640 120.400 0.084 0.000 2.333 74 D HA 0.150 4.791 4.640 0.001 0.000 0.208 74 D C 0.695 177.095 176.300 0.165 0.000 0.984 74 D CA -0.029 54.044 54.000 0.121 0.000 0.873 74 D CB 0.278 41.138 40.800 0.100 0.000 0.935 74 D HN 0.530 nan 8.370 nan 0.000 0.521 75 I N 0.956 121.601 120.570 0.125 0.000 2.472 75 I HA 0.149 4.320 4.170 0.001 0.000 0.290 75 I C 0.322 176.511 176.117 0.120 0.000 1.016 75 I CA -0.138 61.241 61.300 0.133 0.000 1.348 75 I CB 0.873 38.923 38.000 0.083 0.000 1.417 75 I HN -0.347 nan 8.210 nan 0.000 0.521 76 Q N 4.336 124.224 119.800 0.148 0.000 2.347 76 Q HA 0.409 4.750 4.340 0.001 0.000 0.271 76 Q C -1.230 174.862 176.000 0.153 0.000 1.064 76 Q CA -1.284 54.583 55.803 0.107 0.000 0.800 76 Q CB 2.557 31.302 28.738 0.011 0.000 1.304 76 Q HN 0.416 nan 8.270 nan 0.000 0.438 77 K N 1.693 122.148 120.400 0.091 0.000 2.401 77 K HA 0.209 4.530 4.320 0.001 0.000 0.278 77 K C 0.014 176.689 176.600 0.125 0.000 1.018 77 K CA 0.364 56.682 56.287 0.053 0.000 0.981 77 K CB 0.534 33.043 32.500 0.014 0.000 0.933 77 K HN 0.393 nan 8.250 nan 0.000 0.477 78 M N 1.575 121.129 119.600 -0.078 0.000 2.159 78 M HA 0.154 4.634 4.480 0.001 0.000 0.293 78 M C 0.231 176.541 176.300 0.017 0.000 1.186 78 M CA -0.171 55.050 55.300 -0.131 0.000 1.073 78 M CB 0.716 32.991 32.600 -0.542 0.000 1.419 78 M HN 0.591 nan 8.290 nan 0.000 0.490 79 N N 0.193 118.944 118.700 0.085 0.000 2.362 79 N HA 0.541 5.281 4.740 0.001 0.000 0.299 79 N C -2.561 173.069 175.510 0.200 0.000 1.170 79 N CA -1.217 51.888 53.050 0.091 0.000 0.825 79 N CB 1.629 40.112 38.487 -0.006 0.000 1.299 79 N HN 0.275 nan 8.380 nan 0.000 0.502 80 P HA 0.174 nan 4.420 nan 0.000 0.270 80 P C -1.950 175.500 177.300 0.250 0.000 1.223 80 P CA -0.807 62.444 63.100 0.252 0.000 0.785 80 P CB 0.048 31.890 31.700 0.238 0.000 0.923 81 P HA -0.188 nan 4.420 nan 0.000 0.221 81 P C 1.118 178.453 177.300 0.059 0.000 1.145 81 P CA 1.467 64.628 63.100 0.102 0.000 0.795 81 P CB -0.267 31.464 31.700 0.052 0.000 0.775 82 K N -0.967 119.406 120.400 -0.045 0.000 2.360 82 K HA -0.098 4.223 4.320 0.001 0.000 0.201 82 K C 0.637 177.044 176.600 -0.323 0.000 1.046 82 K CA 1.230 57.378 56.287 -0.232 0.000 0.945 82 K CB -0.853 31.403 32.500 -0.407 0.000 0.750 82 K HN 0.146 nan 8.250 nan 0.000 0.464 83 F N 2.006 121.998 119.950 0.069 0.000 2.660 83 F HA 0.210 4.738 4.527 0.001 0.000 0.297 83 F C 0.560 176.418 175.800 0.096 0.000 1.132 83 F CA -0.579 57.469 58.000 0.080 0.000 1.372 83 F CB 0.424 39.478 39.000 0.090 0.000 1.003 83 F HN -0.128 nan 8.300 nan 0.000 0.524 84 S N 1.782 117.598 115.700 0.193 0.000 2.509 84 S HA 0.109 4.580 4.470 0.001 0.000 0.287 84 S C 0.538 175.210 174.600 0.121 0.000 1.248 84 S CA -0.286 58.014 58.200 0.166 0.000 1.089 84 S CB -0.434 62.837 63.200 0.118 0.000 0.900 84 S HN 0.520 nan 8.310 nan 0.000 0.496 85 K N 1.239 121.703 120.400 0.105 0.000 3.393 85 K HA -0.142 4.179 4.320 0.001 0.000 0.272 85 K C 0.010 176.659 176.600 0.082 0.000 1.004 85 K CA 0.411 56.736 56.287 0.064 0.000 0.764 85 K CB -2.535 29.988 32.500 0.039 0.000 1.373 85 K HN 0.463 nan 8.250 nan 0.000 0.458 86 V N -1.002 118.988 119.914 0.127 0.000 2.673 86 V HA -0.034 4.087 4.120 0.001 0.000 0.303 86 V C 1.665 177.813 176.094 0.091 0.000 1.046 86 V CA -0.096 62.290 62.300 0.142 0.000 1.126 86 V CB 1.059 33.012 31.823 0.217 0.000 0.934 86 V HN 0.384 nan 8.190 nan 0.000 0.487 87 E N 1.295 121.552 120.200 0.094 0.000 2.208 87 E HA -0.060 4.291 4.350 0.001 0.000 0.193 87 E C 0.177 176.847 176.600 0.117 0.000 0.988 87 E CA 1.020 57.462 56.400 0.070 0.000 0.828 87 E CB 0.217 29.979 29.700 0.104 0.000 0.763 87 E HN 0.858 nan 8.360 nan 0.000 0.478 88 D N -0.204 120.288 120.400 0.154 0.000 2.469 88 D HA 0.129 4.769 4.640 0.001 0.000 0.251 88 D C 0.596 176.950 176.300 0.091 0.000 1.173 88 D CA -0.240 53.852 54.000 0.153 0.000 0.882 88 D CB 0.929 41.835 40.800 0.177 0.000 1.129 88 D HN -0.092 nan 8.370 nan 0.000 0.549 89 M N 1.887 121.511 119.600 0.039 0.000 2.632 89 M HA -0.014 4.466 4.480 0.001 0.000 0.256 89 M C 1.688 177.987 176.300 -0.001 0.000 1.080 89 M CA 0.389 55.695 55.300 0.010 0.000 1.084 89 M CB -0.082 32.503 32.600 -0.024 0.000 1.439 89 M HN 0.371 nan 8.290 nan 0.000 0.509 90 A N 0.520 123.346 122.820 0.010 0.000 2.014 90 A HA -0.115 4.206 4.320 0.001 0.000 0.218 90 A C 1.967 179.570 177.584 0.032 0.000 1.163 90 A CA 1.325 53.370 52.037 0.013 0.000 0.652 90 A CB -0.384 18.626 19.000 0.016 0.000 0.808 90 A HN 0.426 nan 8.150 nan 0.000 0.449 91 E N -0.222 120.019 120.200 0.068 0.000 2.106 91 E HA -0.006 4.345 4.350 0.001 0.000 0.192 91 E C 0.163 176.813 176.600 0.083 0.000 0.984 91 E CA 0.003 56.478 56.400 0.126 0.000 0.806 91 E CB -0.328 29.492 29.700 0.201 0.000 0.750 91 E HN 0.607 nan 8.360 nan 0.000 0.458 92 L N 1.379 122.565 121.223 -0.060 0.000 2.693 92 L HA -0.170 4.171 4.340 0.001 0.000 0.292 92 L C 1.380 178.009 176.870 -0.402 0.000 1.243 92 L CA 0.195 54.789 54.840 -0.410 0.000 0.903 92 L CB 0.305 42.199 42.059 -0.275 0.000 1.160 92 L HN 0.208 nan 8.230 nan 0.000 0.496 93 T N 1.330 115.441 114.554 -0.738 0.000 2.777 93 T HA -0.094 4.257 4.350 0.001 0.000 0.266 93 T C 0.542 175.121 174.700 -0.203 0.000 1.040 93 T CA 0.817 62.732 62.100 -0.308 0.000 1.141 93 T CB -0.004 68.737 68.868 -0.212 0.000 0.868 93 T HN 0.601 nan 8.240 nan 0.000 0.444 94 C N 1.817 120.966 119.300 -0.251 0.000 2.345 94 C HA 0.715 5.175 4.460 0.001 0.000 0.323 94 C C -0.305 174.611 174.990 -0.122 0.000 1.276 94 C CA -1.310 57.631 59.018 -0.128 0.000 1.543 94 C CB 0.381 28.076 27.740 -0.075 0.000 2.211 94 C HN 0.459 nan 8.230 nan 0.000 0.493 95 L N 6.197 127.373 121.223 -0.079 0.000 2.301 95 L HA 0.569 4.910 4.340 0.001 0.000 0.278 95 L C -0.623 176.212 176.870 -0.058 0.000 1.022 95 L CA 0.331 55.132 54.840 -0.066 0.000 0.854 95 L CB 0.154 42.193 42.059 -0.033 0.000 1.226 95 L HN 0.912 nan 8.230 nan 0.000 0.429 96 N N 0.919 119.560 118.700 -0.098 0.000 2.494 96 N HA 0.284 5.025 4.740 0.001 0.000 0.270 96 N C 0.109 175.483 175.510 -0.227 0.000 1.285 96 N CA -0.863 52.108 53.050 -0.133 0.000 0.812 96 N CB 0.711 39.114 38.487 -0.139 0.000 1.557 96 N HN 0.340 nan 8.380 nan 0.000 0.487 97 E N 0.280 120.342 120.200 -0.230 0.000 2.113 97 E HA -0.353 3.998 4.350 0.001 0.000 0.210 97 E C 1.642 177.928 176.600 -0.523 0.000 1.040 97 E CA 2.385 58.633 56.400 -0.254 0.000 0.847 97 E CB -0.419 29.212 29.700 -0.114 0.000 0.755 97 E HN 0.709 nan 8.360 nan 0.000 0.459 98 A N 1.004 123.174 122.820 -1.083 0.000 1.917 98 A HA -0.220 4.101 4.320 0.001 0.000 0.219 98 A C 2.377 179.321 177.584 -1.067 0.000 1.182 98 A CA 2.116 53.272 52.037 -1.469 0.000 0.633 98 A CB -0.422 17.565 19.000 -1.688 0.000 0.819 98 A HN 0.193 nan 8.150 nan 0.000 0.448 99 S N -0.773 114.556 115.700 -0.618 0.000 2.395 99 S HA -0.035 4.436 4.470 0.001 0.000 0.225 99 S C 1.836 176.339 174.600 -0.162 0.000 1.027 99 S CA 1.086 59.118 58.200 -0.280 0.000 0.965 99 S CB -0.312 62.828 63.200 -0.099 0.000 0.812 99 S HN 0.328 nan 8.310 nan 0.000 0.482 100 V N 2.267 122.072 119.914 -0.181 0.000 2.270 100 V HA -0.108 4.013 4.120 0.001 0.000 0.245 100 V C 2.289 178.308 176.094 -0.124 0.000 1.043 100 V CA 1.553 63.784 62.300 -0.114 0.000 1.014 100 V CB -0.732 31.037 31.823 -0.089 0.000 0.645 100 V HN 0.395 nan 8.190 nan 0.000 0.447 101 L N -0.126 120.998 121.223 -0.165 0.000 2.043 101 L HA -0.269 4.072 4.340 0.001 0.000 0.212 101 L C 2.509 179.305 176.870 -0.123 0.000 1.075 101 L CA 2.440 57.199 54.840 -0.135 0.000 0.752 101 L CB -1.002 40.992 42.059 -0.108 0.000 0.891 101 L HN 0.507 nan 8.230 nan 0.000 0.432 102 H N -0.812 118.091 119.070 -0.279 0.000 2.321 102 H HA -0.200 4.357 4.556 0.001 0.000 0.300 102 H C 2.052 177.355 175.328 -0.042 0.000 1.087 102 H CA 1.919 57.855 56.048 -0.186 0.000 1.319 102 H CB 0.065 29.662 29.762 -0.275 0.000 1.379 102 H HN 0.476 nan 8.280 nan 0.000 0.501 103 N N 0.384 119.036 118.700 -0.079 0.000 2.149 103 N HA -0.123 4.618 4.740 0.001 0.000 0.188 103 N C 2.280 177.727 175.510 -0.105 0.000 1.019 103 N CA 1.093 54.100 53.050 -0.072 0.000 0.857 103 N CB -0.237 38.252 38.487 0.004 0.000 0.997 103 N HN 0.341 nan 8.380 nan 0.000 0.426 104 L N -0.373 120.782 121.223 -0.114 0.000 2.023 104 L HA -0.025 4.316 4.340 0.001 0.000 0.205 104 L C 2.569 179.360 176.870 -0.132 0.000 1.073 104 L CA 0.855 55.619 54.840 -0.126 0.000 0.745 104 L CB -0.448 41.521 42.059 -0.151 0.000 0.900 104 L HN 0.160 nan 8.230 nan 0.000 0.435 105 R N 0.299 120.719 120.500 -0.134 0.000 2.096 105 R HA -0.211 4.130 4.340 0.001 0.000 0.240 105 R C 2.243 178.555 176.300 0.021 0.000 1.139 105 R CA 1.774 57.835 56.100 -0.065 0.000 0.952 105 R CB -0.096 30.232 30.300 0.045 0.000 0.854 105 R HN 0.361 nan 8.270 nan 0.000 0.436 106 E N -0.020 120.136 120.200 -0.074 0.000 2.017 106 E HA -0.222 4.128 4.350 0.001 0.000 0.193 106 E C 2.164 178.780 176.600 0.026 0.000 0.997 106 E CA 1.478 57.866 56.400 -0.020 0.000 0.804 106 E CB -0.140 29.462 29.700 -0.164 0.000 0.757 106 E HN 0.407 nan 8.360 nan 0.000 0.448 107 R N -0.089 120.402 120.500 -0.015 0.000 2.117 107 R HA -0.209 4.132 4.340 0.001 0.000 0.243 107 R C 2.383 178.683 176.300 -0.001 0.000 1.143 107 R CA 1.480 57.577 56.100 -0.005 0.000 0.968 107 R CB -0.645 29.642 30.300 -0.022 0.000 0.863 107 R HN 0.259 nan 8.270 nan 0.000 0.444 108 Y N 1.135 121.314 120.300 -0.202 0.000 2.014 108 Y HA -0.254 4.297 4.550 0.001 0.000 0.270 108 Y C 1.904 177.643 175.900 -0.269 0.000 1.145 108 Y CA 1.465 59.370 58.100 -0.324 0.000 1.106 108 Y CB -0.723 37.404 38.460 -0.555 0.000 0.968 108 Y HN -0.119 nan 8.280 nan 0.000 0.484 109 F N -0.694 119.216 119.950 -0.067 0.000 2.583 109 F HA -0.088 4.440 4.527 0.002 0.000 0.297 109 F C 2.509 178.241 175.800 -0.113 0.000 1.131 109 F CA 1.390 59.300 58.000 -0.150 0.000 1.467 109 F CB -0.764 38.214 39.000 -0.036 0.000 1.097 109 F HN -0.022 nan 8.300 nan 0.000 0.586 110 S N -1.077 114.650 115.700 0.044 0.000 2.556 110 S HA 0.321 4.792 4.470 0.001 0.000 0.216 110 S C 1.801 176.386 174.600 -0.026 0.000 0.970 110 S CA 0.632 58.846 58.200 0.023 0.000 0.912 110 S CB -0.244 62.974 63.200 0.029 0.000 0.790 110 S HN 0.570 nan 8.310 nan 0.000 0.504 111 G N 1.108 109.853 108.800 -0.092 0.000 2.176 111 G HA2 -0.213 3.748 3.960 0.001 0.000 0.253 111 G HA3 -0.213 3.748 3.960 0.001 0.000 0.253 111 G C -0.045 174.801 174.900 -0.090 0.000 0.979 111 G CA 0.027 45.060 45.100 -0.111 0.000 0.641 111 G HN 0.466 nan 8.290 nan 0.000 0.530 112 L N 1.667 122.853 121.223 -0.061 0.000 2.261 112 L HA 0.565 4.906 4.340 0.001 0.000 0.289 112 L C 1.832 178.670 176.870 -0.052 0.000 1.059 112 L CA -0.499 54.317 54.840 -0.039 0.000 0.816 112 L CB 0.843 42.891 42.059 -0.018 0.000 1.191 112 L HN 0.325 nan 8.230 nan 0.000 0.431 113 I N -1.258 119.248 120.570 -0.106 0.000 3.968 113 I HA 0.175 4.345 4.170 0.001 0.000 0.328 113 I C -0.233 175.648 176.117 -0.393 0.000 1.290 113 I CA -0.005 61.165 61.300 -0.217 0.000 1.163 113 I CB 0.220 38.038 38.000 -0.303 0.000 1.024 113 I HN 0.289 nan 8.210 nan 0.000 0.413 114 Y N 1.714 121.904 120.300 -0.183 0.000 2.341 114 Y HA 0.596 5.147 4.550 0.001 0.000 0.337 114 Y C -0.121 175.620 175.900 -0.265 0.000 1.014 114 Y CA -0.567 57.394 58.100 -0.232 0.000 1.111 114 Y CB 1.888 40.160 38.460 -0.314 0.000 1.194 114 Y HN -0.109 nan 8.280 nan 0.000 0.462 115 T N 3.534 118.022 114.554 -0.109 0.000 3.031 115 T HA 0.278 4.629 4.350 0.001 0.000 0.305 115 T C -1.239 173.397 174.700 -0.107 0.000 0.985 115 T CA -0.875 61.134 62.100 -0.151 0.000 1.008 115 T CB 0.095 68.911 68.868 -0.087 0.000 1.005 115 T HN 0.186 nan 8.240 nan 0.000 0.444 116 Y N 2.301 122.605 120.300 0.008 0.000 2.511 116 Y HA 0.353 4.904 4.550 0.001 0.000 0.332 116 Y C 1.302 177.116 175.900 -0.142 0.000 1.177 116 Y CA -0.761 57.311 58.100 -0.047 0.000 1.422 116 Y CB 0.500 38.954 38.460 -0.011 0.000 1.271 116 Y HN 0.594 nan 8.280 nan 0.000 0.550 117 S N 1.678 117.277 115.700 -0.169 0.000 2.395 117 S HA 0.656 5.127 4.470 0.001 0.000 0.207 117 S C 0.304 174.493 174.600 -0.685 0.000 1.454 117 S CA -0.266 57.690 58.200 -0.407 0.000 1.211 117 S CB 0.452 63.344 63.200 -0.512 0.000 1.093 117 S HN 1.413 nan 8.310 nan 0.000 0.472 118 G N 3.047 111.676 108.800 -0.284 0.000 2.514 118 G HA2 -0.291 3.670 3.960 0.001 0.000 0.265 118 G HA3 -0.291 3.670 3.960 0.001 0.000 0.265 118 G C 0.418 175.235 174.900 -0.140 0.000 1.150 118 G CA 0.150 45.140 45.100 -0.184 0.000 0.959 118 G HN 0.799 nan 8.290 nan 0.000 0.556 119 L N 0.856 122.061 121.223 -0.029 0.000 2.049 119 L HA 0.269 4.610 4.340 0.001 0.000 0.203 119 L C 2.232 179.179 176.870 0.129 0.000 1.074 119 L CA 1.461 56.343 54.840 0.069 0.000 0.749 119 L CB -0.768 41.374 42.059 0.139 0.000 0.907 119 L HN 0.579 nan 8.230 nan 0.000 0.439 120 F N -1.023 119.007 119.950 0.133 0.000 2.380 120 F HA 0.322 4.850 4.527 0.002 0.000 0.295 120 F C 0.160 176.094 175.800 0.224 0.000 1.292 120 F CA -1.850 56.278 58.000 0.212 0.000 1.248 120 F CB -0.352 38.825 39.000 0.294 0.000 1.338 120 F HN -0.126 nan 8.300 nan 0.000 0.524 121 C N 0.690 120.218 119.300 0.381 0.000 2.802 121 C HA 0.861 5.322 4.460 0.001 0.000 0.307 121 C C -0.781 174.360 174.990 0.251 0.000 1.222 121 C CA -0.493 58.688 59.018 0.271 0.000 1.580 121 C CB 1.145 29.098 27.740 0.355 0.000 2.119 121 C HN 0.759 nan 8.230 nan 0.000 0.479 122 V N 4.336 124.324 119.914 0.123 0.000 2.680 122 V HA 0.763 4.883 4.120 0.001 0.000 0.309 122 V C -0.638 175.428 176.094 -0.046 0.000 1.052 122 V CA -0.392 61.942 62.300 0.056 0.000 0.908 122 V CB 1.824 33.654 31.823 0.012 0.000 1.001 122 V HN 0.781 nan 8.190 nan 0.000 0.431 123 V N 4.525 124.365 119.914 -0.125 0.000 2.686 123 V HA 0.551 4.672 4.120 0.001 0.000 0.306 123 V C -0.621 175.296 176.094 -0.296 0.000 1.065 123 V CA -0.486 61.623 62.300 -0.319 0.000 0.894 123 V CB 2.022 33.610 31.823 -0.391 0.000 1.004 123 V HN 0.666 nan 8.190 nan 0.000 0.424 124 I N 2.801 123.166 120.570 -0.341 0.000 2.378 124 I HA 0.364 4.535 4.170 0.001 0.000 0.291 124 I C 0.188 176.138 176.117 -0.277 0.000 0.992 124 I CA -0.559 60.526 61.300 -0.358 0.000 1.154 124 I CB 1.641 39.299 38.000 -0.570 0.000 1.315 124 I HN 0.610 nan 8.210 nan 0.000 0.448 125 N N 9.115 127.629 118.700 -0.310 0.000 2.374 125 N HA -0.007 4.734 4.740 0.001 0.000 0.269 125 N C -1.453 173.961 175.510 -0.161 0.000 1.310 125 N CA -0.937 51.901 53.050 -0.353 0.000 0.877 125 N CB 1.057 39.127 38.487 -0.694 0.000 1.096 125 N HN 0.404 nan 8.380 nan 0.000 0.484 126 P HA -0.060 nan 4.420 nan 0.000 0.224 126 P C -0.143 177.233 177.300 0.126 0.000 1.157 126 P CA 0.535 63.667 63.100 0.053 0.000 0.799 126 P CB 0.146 31.840 31.700 -0.010 0.000 0.809 127 Y N -0.253 120.083 120.300 0.059 0.000 4.324 127 Y HA -0.255 4.296 4.550 0.001 0.000 0.224 127 Y C 0.588 176.510 175.900 0.037 0.000 1.113 127 Y CA 0.467 58.597 58.100 0.050 0.000 1.887 127 Y CB -2.188 36.309 38.460 0.062 0.000 1.602 127 Y HN 0.257 nan 8.280 nan 0.000 0.654 128 K N -1.387 119.115 120.400 0.169 0.000 2.575 128 K HA 0.486 4.807 4.320 0.001 0.000 0.279 128 K C -0.796 175.857 176.600 0.088 0.000 0.969 128 K CA -1.169 55.183 56.287 0.107 0.000 0.868 128 K CB 1.441 33.982 32.500 0.069 0.000 1.457 128 K HN -0.174 nan 8.250 nan 0.000 0.426 129 Q N 1.724 121.573 119.800 0.082 0.000 2.332 129 Q HA 0.348 4.689 4.340 0.001 0.000 0.263 129 Q C -0.450 175.593 176.000 0.071 0.000 0.979 129 Q CA 0.076 55.936 55.803 0.094 0.000 0.885 129 Q CB 0.705 29.494 28.738 0.084 0.000 1.218 129 Q HN 0.498 nan 8.270 nan 0.000 0.405 130 L N 4.455 125.730 121.223 0.086 0.000 2.386 130 L HA 0.381 4.721 4.340 0.001 0.000 0.271 130 L C -1.948 174.932 176.870 0.017 0.000 0.993 130 L CA -1.955 52.898 54.840 0.022 0.000 0.819 130 L CB 2.303 44.342 42.059 -0.033 0.000 1.294 130 L HN 0.405 nan 8.230 nan 0.000 0.414 131 P HA 0.098 nan 4.420 nan 0.000 0.231 131 P C 0.306 177.598 177.300 -0.014 0.000 1.756 131 P CA 0.328 63.441 63.100 0.022 0.000 0.990 131 P CB -0.325 31.391 31.700 0.026 0.000 1.973 132 I N -4.299 116.206 120.570 -0.108 0.000 4.390 132 I HA 0.251 4.422 4.170 0.001 0.000 0.334 132 I C -0.475 175.515 176.117 -0.211 0.000 1.379 132 I CA -0.412 60.778 61.300 -0.183 0.000 1.197 132 I CB 0.244 38.043 38.000 -0.336 0.000 1.396 132 I HN -0.214 nan 8.210 nan 0.000 0.511 133 Y N 2.189 122.608 120.300 0.199 0.000 2.716 133 Y HA 0.373 4.924 4.550 0.002 0.000 0.260 133 Y C 1.616 177.695 175.900 0.298 0.000 1.141 133 Y CA -0.748 57.517 58.100 0.275 0.000 1.168 133 Y CB -0.110 38.465 38.460 0.193 0.000 1.189 133 Y HN 0.250 nan 8.280 nan 0.000 0.549 134 S N -0.504 115.387 115.700 0.319 0.000 2.612 134 S HA -0.054 4.417 4.470 0.001 0.000 0.253 134 S C 1.432 176.148 174.600 0.194 0.000 1.346 134 S CA 0.216 58.545 58.200 0.215 0.000 0.976 134 S CB 1.017 64.303 63.200 0.143 0.000 0.949 134 S HN 0.528 nan 8.310 nan 0.000 0.584 135 E N 0.260 120.522 120.200 0.103 0.000 2.190 135 E HA 0.005 4.356 4.350 0.001 0.000 0.191 135 E C 1.947 178.562 176.600 0.026 0.000 0.978 135 E CA 0.714 57.136 56.400 0.035 0.000 0.839 135 E CB -0.243 29.464 29.700 0.011 0.000 0.787 135 E HN 0.727 nan 8.360 nan 0.000 0.473 136 K N 0.534 120.966 120.400 0.052 0.000 2.032 136 K HA -0.135 4.186 4.320 0.001 0.000 0.209 136 K C 1.862 178.505 176.600 0.071 0.000 1.048 136 K CA 1.810 58.125 56.287 0.047 0.000 0.927 136 K CB -0.195 32.336 32.500 0.050 0.000 0.712 136 K HN 0.199 nan 8.250 nan 0.000 0.441 137 I N 0.656 121.301 120.570 0.125 0.000 2.394 137 I HA -0.222 3.949 4.170 0.001 0.000 0.251 137 I C 2.010 178.269 176.117 0.236 0.000 1.136 137 I CA 0.900 62.323 61.300 0.205 0.000 1.425 137 I CB -0.076 38.080 38.000 0.260 0.000 1.079 137 I HN 0.212 nan 8.210 nan 0.000 0.425 138 I N 0.433 121.040 120.570 0.063 0.000 2.286 138 I HA -0.303 3.868 4.170 0.001 0.000 0.248 138 I C 1.973 178.098 176.117 0.014 0.000 1.115 138 I CA 1.255 62.463 61.300 -0.154 0.000 1.392 138 I CB -0.437 37.353 38.000 -0.350 0.000 1.065 138 I HN 0.266 nan 8.210 nan 0.000 0.418 139 D N 0.644 121.050 120.400 0.009 0.000 2.084 139 D HA -0.180 4.461 4.640 0.001 0.000 0.196 139 D C 2.211 178.539 176.300 0.046 0.000 0.985 139 D CA 1.329 55.333 54.000 0.007 0.000 0.826 139 D CB -0.221 40.575 40.800 -0.005 0.000 0.978 139 D HN 0.219 nan 8.370 nan 0.000 0.456 140 M N -0.728 118.904 119.600 0.054 0.000 2.337 140 M HA -0.218 4.263 4.480 0.001 0.000 0.261 140 M C 1.147 177.391 176.300 -0.093 0.000 1.067 140 M CA 1.347 56.633 55.300 -0.023 0.000 1.074 140 M CB -0.056 32.520 32.600 -0.039 0.000 1.395 140 M HN 0.096 nan 8.290 nan 0.000 0.431 141 Y N -0.862 119.470 120.300 0.053 0.000 2.458 141 Y HA 0.197 4.748 4.550 0.002 0.000 0.256 141 Y C 0.614 176.607 175.900 0.156 0.000 1.159 141 Y CA -0.067 58.088 58.100 0.091 0.000 1.261 141 Y CB 0.307 38.833 38.460 0.110 0.000 1.119 141 Y HN -0.097 nan 8.280 nan 0.000 0.524 142 K N 0.629 121.172 120.400 0.238 0.000 2.472 142 K HA 0.052 4.373 4.320 0.001 0.000 0.280 142 K C 1.117 177.800 176.600 0.138 0.000 1.028 142 K CA 0.971 57.372 56.287 0.191 0.000 1.045 142 K CB 0.140 32.675 32.500 0.058 0.000 0.902 142 K HN 0.538 nan 8.250 nan 0.000 0.478 143 G N 3.067 111.971 108.800 0.174 0.000 2.244 143 G HA2 -0.272 3.689 3.960 0.001 0.000 0.274 143 G HA3 -0.272 3.689 3.960 0.001 0.000 0.274 143 G C 0.039 174.965 174.900 0.044 0.000 1.002 143 G CA 0.384 45.541 45.100 0.095 0.000 0.740 143 G HN 0.458 nan 8.290 nan 0.000 0.516 144 K N 0.419 120.855 120.400 0.060 0.000 2.218 144 K HA 0.331 4.651 4.320 0.001 0.000 0.276 144 K C 0.847 177.421 176.600 -0.043 0.000 1.022 144 K CA -0.275 56.002 56.287 -0.017 0.000 0.946 144 K CB 0.788 33.261 32.500 -0.045 0.000 1.000 144 K HN 0.153 nan 8.250 nan 0.000 0.468 145 K N 2.466 122.769 120.400 -0.161 0.000 2.185 145 K HA 0.144 4.465 4.320 0.001 0.000 0.271 145 K C 1.273 177.725 176.600 -0.247 0.000 1.013 145 K CA -0.201 55.939 56.287 -0.245 0.000 0.943 145 K CB 0.961 33.177 32.500 -0.474 0.000 0.998 145 K HN 0.495 nan 8.250 nan 0.000 0.468 146 R N 1.259 121.668 120.500 -0.153 0.000 2.140 146 R HA -0.218 4.123 4.340 0.001 0.000 0.250 146 R C 2.110 178.402 176.300 -0.013 0.000 1.150 146 R CA 2.053 58.088 56.100 -0.107 0.000 0.966 146 R CB -0.217 29.912 30.300 -0.285 0.000 0.869 146 R HN 0.696 nan 8.270 nan 0.000 0.445 147 H N -1.072 118.006 119.070 0.015 0.000 2.524 147 H HA 0.001 4.558 4.556 0.001 0.000 0.282 147 H C 0.636 175.990 175.328 0.043 0.000 1.016 147 H CA 0.951 57.025 56.048 0.044 0.000 1.270 147 H CB 0.047 29.819 29.762 0.017 0.000 1.394 147 H HN 0.424 nan 8.280 nan 0.000 0.568 148 E N 0.585 120.616 120.200 -0.281 0.000 2.481 148 E HA 0.162 4.513 4.350 0.001 0.000 0.195 148 E C 0.309 176.857 176.600 -0.087 0.000 1.047 148 E CA 0.145 56.461 56.400 -0.140 0.000 0.867 148 E CB 0.444 30.011 29.700 -0.221 0.000 0.858 148 E HN 0.356 nan 8.360 nan 0.000 0.513 149 M N 1.158 120.736 119.600 -0.038 0.000 2.433 149 M HA 0.328 4.809 4.480 0.001 0.000 0.290 149 M C -2.705 173.684 176.300 0.149 0.000 1.173 149 M CA -2.403 52.859 55.300 -0.064 0.000 0.905 149 M CB 2.312 34.703 32.600 -0.349 0.000 1.692 149 M HN -0.268 nan 8.290 nan 0.000 0.462 150 P HA 0.119 nan 4.420 nan 0.000 0.269 150 P C -2.692 174.722 177.300 0.189 0.000 1.211 150 P CA -0.728 62.465 63.100 0.155 0.000 0.781 150 P CB -1.030 30.746 31.700 0.126 0.000 0.877 151 P HA 0.092 nan 4.420 nan 0.000 0.267 151 P C -0.240 176.903 177.300 -0.261 0.000 1.205 151 P CA 1.049 63.743 63.100 -0.676 0.000 0.765 151 P CB 0.192 31.154 31.700 -1.229 0.000 0.828 152 H N 2.242 121.056 119.070 -0.427 0.000 3.046 152 H HA 0.175 4.732 4.556 0.001 0.000 0.363 152 H C 0.425 175.213 175.328 -0.900 0.000 1.203 152 H CA -0.587 54.903 56.048 -0.930 0.000 1.169 152 H CB 1.855 30.991 29.762 -1.044 0.000 1.851 152 H HN 0.191 nan 8.280 nan 0.000 0.546 153 I N 3.444 123.256 120.570 -1.262 0.000 2.567 153 I HA -0.215 3.956 4.170 0.001 0.000 0.257 153 I C 1.066 177.065 176.117 -0.196 0.000 1.184 153 I CA 1.276 62.286 61.300 -0.483 0.000 1.451 153 I CB -0.466 37.375 38.000 -0.265 0.000 1.089 153 I HN 0.474 nan 8.210 nan 0.000 0.441 154 Y N 0.787 120.937 120.300 -0.249 0.000 2.163 154 Y HA -0.065 4.486 4.550 0.001 0.000 0.288 154 Y C 2.655 178.143 175.900 -0.686 0.000 1.136 154 Y CA 0.744 58.452 58.100 -0.654 0.000 1.147 154 Y CB -1.644 36.301 38.460 -0.859 0.000 0.987 154 Y HN 0.241 nan 8.280 nan 0.000 0.509 155 A N 0.181 122.854 122.820 -0.245 0.000 1.908 155 A HA -0.206 4.115 4.320 0.001 0.000 0.218 155 A C 2.291 179.867 177.584 -0.013 0.000 1.181 155 A CA 2.027 54.073 52.037 0.016 0.000 0.627 155 A CB -1.162 18.003 19.000 0.274 0.000 0.818 155 A HN 0.377 nan 8.150 nan 0.000 0.445 156 I N -0.036 120.536 120.570 0.002 0.000 2.163 156 I HA -0.275 3.896 4.170 0.001 0.000 0.243 156 I C 2.938 179.051 176.117 -0.007 0.000 1.085 156 I CA 1.367 62.687 61.300 0.033 0.000 1.347 156 I CB -0.411 37.633 38.000 0.072 0.000 1.044 156 I HN 0.335 nan 8.210 nan 0.000 0.408 157 A N -0.034 122.737 122.820 -0.082 0.000 1.851 157 A HA -0.316 4.005 4.320 0.001 0.000 0.216 157 A C 2.232 179.812 177.584 -0.007 0.000 1.195 157 A CA 2.281 54.282 52.037 -0.059 0.000 0.622 157 A CB -0.987 17.925 19.000 -0.147 0.000 0.831 157 A HN 0.517 nan 8.150 nan 0.000 0.444 158 D N -0.434 119.863 120.400 -0.172 0.000 2.092 158 D HA -0.179 4.461 4.640 0.001 0.000 0.193 158 D C 2.116 178.511 176.300 0.158 0.000 0.994 158 D CA 2.672 56.760 54.000 0.147 0.000 0.828 158 D CB -0.260 40.612 40.800 0.119 0.000 0.963 158 D HN 0.500 nan 8.370 nan 0.000 0.450 159 T N -1.190 113.399 114.554 0.060 0.000 2.881 159 T HA 0.027 4.377 4.350 0.001 0.000 0.270 159 T C 2.043 176.756 174.700 0.023 0.000 1.068 159 T CA 1.476 63.593 62.100 0.028 0.000 1.131 159 T CB -0.303 68.562 68.868 -0.004 0.000 0.871 159 T HN 0.181 nan 8.240 nan 0.000 0.479 160 A N 0.449 123.299 122.820 0.049 0.000 1.897 160 A HA 0.101 4.421 4.320 0.001 0.000 0.215 160 A C 2.105 179.718 177.584 0.049 0.000 1.181 160 A CA 1.144 53.203 52.037 0.037 0.000 0.620 160 A CB -1.134 17.899 19.000 0.054 0.000 0.821 160 A HN 0.509 nan 8.150 nan 0.000 0.443 161 Y N 1.437 121.703 120.300 -0.057 0.000 2.014 161 Y HA -0.268 4.283 4.550 0.001 0.000 0.270 161 Y C 2.524 178.337 175.900 -0.145 0.000 1.145 161 Y CA 2.174 60.199 58.100 -0.125 0.000 1.106 161 Y CB -0.559 37.891 38.460 -0.016 0.000 0.968 161 Y HN 0.246 nan 8.280 nan 0.000 0.484 162 R N -0.135 120.220 120.500 -0.240 0.000 2.112 162 R HA -0.211 4.130 4.340 0.001 0.000 0.242 162 R C 2.588 178.746 176.300 -0.237 0.000 1.137 162 R CA 1.549 57.450 56.100 -0.331 0.000 0.944 162 R CB -1.651 28.553 30.300 -0.159 0.000 0.857 162 R HN 0.381 nan 8.270 nan 0.000 0.435 163 S N 0.928 116.545 115.700 -0.138 0.000 2.392 163 S HA -0.191 4.280 4.470 0.001 0.000 0.232 163 S C 1.881 176.397 174.600 -0.141 0.000 1.041 163 S CA 1.618 59.751 58.200 -0.112 0.000 1.026 163 S CB -0.194 62.964 63.200 -0.071 0.000 0.845 163 S HN 0.365 nan 8.310 nan 0.000 0.465 164 M N 0.485 119.978 119.600 -0.177 0.000 2.059 164 M HA -0.124 4.357 4.480 0.001 0.000 0.259 164 M C 1.839 178.017 176.300 -0.204 0.000 1.072 164 M CA 1.765 56.947 55.300 -0.197 0.000 1.117 164 M CB -0.335 32.118 32.600 -0.246 0.000 1.320 164 M HN 0.357 nan 8.290 nan 0.000 0.408 165 L N -0.200 120.857 121.223 -0.276 0.000 1.994 165 L HA -0.242 4.099 4.340 0.001 0.000 0.208 165 L C 2.811 179.582 176.870 -0.166 0.000 1.071 165 L CA 1.308 56.008 54.840 -0.234 0.000 0.745 165 L CB -1.264 40.604 42.059 -0.318 0.000 0.892 165 L HN 0.429 nan 8.230 nan 0.000 0.431 166 Q N 0.432 120.130 119.800 -0.169 0.000 2.062 166 Q HA -0.247 4.094 4.340 0.001 0.000 0.209 166 Q C 1.212 177.155 176.000 -0.095 0.000 0.996 166 Q CA 2.163 57.893 55.803 -0.122 0.000 0.859 166 Q CB -0.231 28.439 28.738 -0.114 0.000 0.920 166 Q HN 0.633 nan 8.270 nan 0.000 0.415 167 D N -0.568 119.775 120.400 -0.095 0.000 2.363 167 D HA 0.058 4.699 4.640 0.001 0.000 0.214 167 D C -0.076 176.180 176.300 -0.073 0.000 1.093 167 D CA -0.180 53.775 54.000 -0.076 0.000 0.837 167 D CB 0.194 40.951 40.800 -0.071 0.000 0.948 167 D HN 0.114 nan 8.370 nan 0.000 0.507 168 R N 1.437 121.887 120.500 -0.083 0.000 3.387 168 R HA -0.198 4.143 4.340 0.001 0.000 0.254 168 R C -0.335 175.925 176.300 -0.066 0.000 1.006 168 R CA 0.809 56.866 56.100 -0.070 0.000 0.677 168 R CB -2.239 28.033 30.300 -0.047 0.000 1.063 168 R HN 0.598 nan 8.270 nan 0.000 0.453 169 E N -0.198 119.948 120.200 -0.090 0.000 2.248 169 E HA 0.345 4.696 4.350 0.001 0.000 0.267 169 E C -0.924 175.583 176.600 -0.155 0.000 0.877 169 E CA -1.118 55.225 56.400 -0.095 0.000 0.759 169 E CB 1.456 31.108 29.700 -0.078 0.000 1.182 169 E HN -0.107 nan 8.360 nan 0.000 0.418 170 D N 3.265 123.541 120.400 -0.208 0.000 2.455 170 D HA 0.019 4.660 4.640 0.001 0.000 0.241 170 D C -0.035 176.025 176.300 -0.398 0.000 1.138 170 D CA 0.420 54.148 54.000 -0.454 0.000 0.877 170 D CB 0.777 41.145 40.800 -0.721 0.000 1.187 170 D HN 0.373 nan 8.370 nan 0.000 0.451 171 Q N 0.430 119.988 119.800 -0.403 0.000 2.241 171 Q HA 0.605 4.946 4.340 0.001 0.000 0.262 171 Q C -0.321 175.607 176.000 -0.121 0.000 1.014 171 Q CA -0.823 54.860 55.803 -0.200 0.000 0.885 171 Q CB 2.089 30.760 28.738 -0.111 0.000 1.311 171 Q HN 0.533 nan 8.270 nan 0.000 0.461 172 S N -0.295 115.399 115.700 -0.010 0.000 2.566 172 S HA 0.597 5.068 4.470 0.001 0.000 0.273 172 S C -0.765 173.850 174.600 0.025 0.000 1.157 172 S CA -0.803 57.457 58.200 0.100 0.000 0.938 172 S CB 0.684 63.979 63.200 0.158 0.000 1.087 172 S HN 0.490 nan 8.310 nan 0.000 0.474 173 I N 3.856 124.463 120.570 0.061 0.000 2.328 173 I HA 0.323 4.493 4.170 0.001 0.000 0.287 173 I C -0.788 175.326 176.117 -0.005 0.000 1.012 173 I CA -0.759 60.553 61.300 0.019 0.000 1.195 173 I CB 1.202 39.240 38.000 0.063 0.000 1.350 173 I HN 0.573 nan 8.210 nan 0.000 0.464 174 L N 5.865 127.001 121.223 -0.146 0.000 2.276 174 L HA 0.455 4.796 4.340 0.001 0.000 0.286 174 L C -0.434 176.414 176.870 -0.036 0.000 1.024 174 L CA -0.565 54.185 54.840 -0.151 0.000 0.826 174 L CB 1.262 43.058 42.059 -0.437 0.000 1.211 174 L HN 0.565 nan 8.230 nan 0.000 0.422 175 C N 2.445 121.764 119.300 0.032 0.000 2.415 175 C HA 0.518 4.979 4.460 0.001 0.000 0.369 175 C C 1.180 176.204 174.990 0.057 0.000 1.279 175 C CA -0.320 58.734 59.018 0.059 0.000 1.886 175 C CB 0.538 28.311 27.740 0.055 0.000 2.468 175 C HN 0.852 nan 8.230 nan 0.000 0.553 176 T N 0.843 115.435 114.554 0.064 0.000 2.940 176 T HA 0.894 5.245 4.350 0.001 0.000 0.288 176 T C -0.300 174.414 174.700 0.024 0.000 1.033 176 T CA -0.126 62.001 62.100 0.045 0.000 1.033 176 T CB 1.948 70.829 68.868 0.021 0.000 1.079 176 T HN 1.502 nan 8.240 nan 0.000 0.496 177 G N 1.409 110.230 108.800 0.035 0.000 2.351 177 G HA2 0.396 4.357 3.960 0.001 0.000 0.296 177 G HA3 0.396 4.357 3.960 0.001 0.000 0.296 177 G C -0.957 173.977 174.900 0.056 0.000 1.685 177 G CA -0.550 44.565 45.100 0.025 0.000 0.936 177 G HN 1.104 nan 8.290 nan 0.000 0.714 178 E N 0.202 120.435 120.200 0.055 0.000 2.409 178 E HA 0.481 4.832 4.350 0.001 0.000 0.257 178 E C 0.722 177.360 176.600 0.063 0.000 1.150 178 E CA 0.001 56.459 56.400 0.096 0.000 0.942 178 E CB 0.868 30.628 29.700 0.100 0.000 0.979 178 E HN 0.642 nan 8.360 nan 0.000 0.447 179 S N 1.178 116.902 115.700 0.041 0.000 2.673 179 S HA 0.238 4.709 4.470 0.001 0.000 0.308 179 S C 1.093 175.725 174.600 0.053 0.000 1.246 179 S CA 0.827 59.035 58.200 0.013 0.000 1.077 179 S CB -0.863 62.302 63.200 -0.059 0.000 0.814 179 S HN 1.019 nan 8.310 nan 0.000 0.503 180 G N 3.781 112.617 108.800 0.060 0.000 2.232 180 G HA2 -0.249 3.712 3.960 0.001 0.000 0.226 180 G HA3 -0.249 3.712 3.960 0.001 0.000 0.226 180 G C 1.123 176.032 174.900 0.015 0.000 0.996 180 G CA 0.536 45.694 45.100 0.096 0.000 0.626 180 G HN 1.427 nan 8.290 nan 0.000 0.509 181 A N -0.023 122.790 122.820 -0.013 0.000 1.903 181 A HA 0.359 4.680 4.320 0.001 0.000 0.219 181 A C 2.786 180.295 177.584 -0.125 0.000 1.191 181 A CA 3.293 55.282 52.037 -0.080 0.000 0.638 181 A CB -0.589 18.383 19.000 -0.047 0.000 0.823 181 A HN 2.557 nan 8.150 nan 0.000 0.451 182 G N -2.632 106.125 108.800 -0.071 0.000 2.834 182 G HA2 -0.086 3.875 3.960 0.001 0.000 0.217 182 G HA3 -0.086 3.875 3.960 0.001 0.000 0.217 182 G C 0.738 175.619 174.900 -0.031 0.000 0.974 182 G CA 0.585 45.642 45.100 -0.073 0.000 0.826 182 G HN 0.363 nan 8.290 nan 0.000 0.584 183 K N 0.139 120.532 120.400 -0.012 0.000 2.059 183 K HA -0.160 4.161 4.320 0.001 0.000 0.212 183 K C 2.465 179.074 176.600 0.014 0.000 1.050 183 K CA 2.159 58.452 56.287 0.009 0.000 0.927 183 K CB -0.264 32.244 32.500 0.014 0.000 0.714 183 K HN 0.338 nan 8.250 nan 0.000 0.447 184 T N 1.138 115.698 114.554 0.009 0.000 2.770 184 T HA -0.085 4.266 4.350 0.001 0.000 0.263 184 T C 1.608 176.314 174.700 0.011 0.000 1.039 184 T CA 0.961 63.072 62.100 0.018 0.000 1.142 184 T CB -0.109 68.774 68.868 0.025 0.000 0.868 184 T HN 0.177 nan 8.240 nan 0.000 0.435 185 E N 1.584 121.781 120.200 -0.006 0.000 2.130 185 E HA -0.119 4.232 4.350 0.001 0.000 0.196 185 E C 2.120 178.680 176.600 -0.065 0.000 0.998 185 E CA 0.903 57.277 56.400 -0.043 0.000 0.806 185 E CB -0.392 29.274 29.700 -0.057 0.000 0.738 185 E HN 0.458 nan 8.360 nan 0.000 0.459 186 N N -0.273 118.415 118.700 -0.020 0.000 2.290 186 N HA -0.044 4.697 4.740 0.001 0.000 0.179 186 N C 1.745 177.278 175.510 0.038 0.000 1.016 186 N CA 0.948 54.009 53.050 0.019 0.000 0.871 186 N CB -0.015 38.512 38.487 0.068 0.000 0.987 186 N HN 0.104 nan 8.380 nan 0.000 0.431 187 T N 1.602 116.179 114.554 0.040 0.000 2.746 187 T HA -0.048 4.303 4.350 0.001 0.000 0.267 187 T C 1.851 176.583 174.700 0.052 0.000 1.039 187 T CA 0.991 63.123 62.100 0.054 0.000 1.142 187 T CB 0.053 68.955 68.868 0.056 0.000 0.866 187 T HN 0.214 nan 8.240 nan 0.000 0.444 188 K N 0.636 121.057 120.400 0.034 0.000 2.152 188 K HA -0.080 4.241 4.320 0.001 0.000 0.206 188 K C 2.328 178.953 176.600 0.041 0.000 1.048 188 K CA 0.870 57.176 56.287 0.031 0.000 0.933 188 K CB 0.014 32.521 32.500 0.013 0.000 0.721 188 K HN 0.133 nan 8.250 nan 0.000 0.447 189 K N 0.539 120.955 120.400 0.026 0.000 2.155 189 K HA -0.038 4.283 4.320 0.001 0.000 0.203 189 K C 2.119 178.859 176.600 0.233 0.000 1.052 189 K CA 0.654 57.002 56.287 0.101 0.000 0.948 189 K CB -0.245 32.241 32.500 -0.024 0.000 0.728 189 K HN -0.024 nan 8.250 nan 0.000 0.448 190 V N 1.755 121.764 119.914 0.158 0.000 2.307 190 V HA -0.203 3.917 4.120 0.001 0.000 0.245 190 V C 2.324 178.522 176.094 0.172 0.000 1.045 190 V CA 1.452 63.854 62.300 0.170 0.000 1.024 190 V CB -0.367 31.525 31.823 0.115 0.000 0.651 190 V HN 0.169 nan 8.190 nan 0.000 0.449 191 I N -0.325 120.312 120.570 0.113 0.000 2.315 191 I HA -0.269 3.902 4.170 0.001 0.000 0.248 191 I C 2.658 178.817 176.117 0.069 0.000 1.117 191 I CA 1.555 62.899 61.300 0.072 0.000 1.404 191 I CB -0.412 37.610 38.000 0.037 0.000 1.071 191 I HN 0.383 nan 8.210 nan 0.000 0.419 192 Q N 0.456 120.314 119.800 0.098 0.000 2.096 192 Q HA -0.283 4.058 4.340 0.001 0.000 0.204 192 Q C 2.310 178.338 176.000 0.046 0.000 0.982 192 Q CA 2.078 57.928 55.803 0.078 0.000 0.850 192 Q CB -0.231 28.582 28.738 0.124 0.000 0.901 192 Q HN 0.556 nan 8.270 nan 0.000 0.422 193 Y N 0.858 121.138 120.300 -0.034 0.000 2.109 193 Y HA -0.226 4.324 4.550 0.001 0.000 0.285 193 Y C 2.077 177.901 175.900 -0.126 0.000 1.131 193 Y CA 1.810 59.814 58.100 -0.159 0.000 1.121 193 Y CB -0.421 37.967 38.460 -0.121 0.000 0.987 193 Y HN 0.073 nan 8.280 nan 0.000 0.495 194 L N -0.036 121.246 121.223 0.098 0.000 2.043 194 L HA -0.313 4.028 4.340 0.001 0.000 0.212 194 L C 2.729 179.510 176.870 -0.148 0.000 1.075 194 L CA 1.371 56.184 54.840 -0.046 0.000 0.752 194 L CB -1.063 41.037 42.059 0.068 0.000 0.891 194 L HN 0.400 nan 8.230 nan 0.000 0.432 195 A N -0.720 122.034 122.820 -0.110 0.000 2.019 195 A HA -0.095 4.226 4.320 0.001 0.000 0.219 195 A C 2.099 179.594 177.584 -0.148 0.000 1.164 195 A CA 1.401 53.366 52.037 -0.120 0.000 0.644 195 A CB -0.517 18.434 19.000 -0.083 0.000 0.805 195 A HN 0.256 nan 8.150 nan 0.000 0.449 196 V N -0.024 119.767 119.914 -0.206 0.000 3.623 196 V HA -0.050 4.071 4.120 0.001 0.000 0.271 196 V C 1.871 177.799 176.094 -0.277 0.000 1.248 196 V CA 1.351 63.513 62.300 -0.229 0.000 1.156 196 V CB 0.025 31.693 31.823 -0.259 0.000 0.870 196 V HN 0.578 nan 8.190 nan 0.000 0.453 197 V N -3.541 116.187 119.914 -0.311 0.000 3.371 197 V HA 0.524 4.645 4.120 0.001 0.000 0.246 197 V C 1.727 177.750 176.094 -0.118 0.000 1.303 197 V CA 0.904 63.047 62.300 -0.262 0.000 1.156 197 V CB 0.356 31.944 31.823 -0.392 0.000 0.929 197 V HN 0.227 nan 8.190 nan 0.000 0.459 198 A N 0.039 122.787 122.820 -0.120 0.000 2.382 198 A HA 0.498 4.819 4.320 0.001 0.000 0.228 198 A C 1.367 178.958 177.584 0.012 0.000 1.217 198 A CA 0.522 52.569 52.037 0.016 0.000 0.923 198 A CB 0.057 19.113 19.000 0.093 0.000 0.979 198 A HN 0.398 nan 8.150 nan 0.000 0.515 219 E N 0.601 120.783 120.200 -0.031 0.000 2.021 219 E HA -0.130 4.220 4.350 0.001 0.000 0.200 219 E C 2.231 178.808 176.600 -0.039 0.000 1.015 219 E CA 1.729 58.111 56.400 -0.030 0.000 0.824 219 E CB -0.633 29.052 29.700 -0.026 0.000 0.762 219 E HN 0.641 nan 8.360 nan 0.000 0.454 220 L N 0.957 122.152 121.223 -0.047 0.000 2.026 220 L HA -0.295 4.046 4.340 0.001 0.000 0.231 220 L C 2.944 179.775 176.870 -0.065 0.000 1.095 220 L CA 4.369 59.173 54.840 -0.061 0.000 0.810 220 L CB -1.051 40.963 42.059 -0.075 0.000 0.909 220 L HN 0.628 nan 8.230 nan 0.000 0.444 221 E N -0.740 119.419 120.200 -0.069 0.000 2.070 221 E HA -0.324 4.027 4.350 0.001 0.000 0.197 221 E C 2.321 178.890 176.600 -0.052 0.000 1.004 221 E CA 2.959 59.317 56.400 -0.070 0.000 0.805 221 E CB -1.384 28.273 29.700 -0.070 0.000 0.744 221 E HN 0.662 nan 8.360 nan 0.000 0.451 222 K N 0.678 121.052 120.400 -0.043 0.000 2.063 222 K HA -0.259 4.062 4.320 0.001 0.000 0.208 222 K C 2.266 178.848 176.600 -0.030 0.000 1.048 222 K CA 1.965 58.233 56.287 -0.033 0.000 0.928 222 K CB -0.735 31.748 32.500 -0.027 0.000 0.713 222 K HN 0.746 nan 8.250 nan 0.000 0.442 223 Q N -0.759 119.021 119.800 -0.033 0.000 2.137 223 Q HA 0.061 4.401 4.340 0.001 0.000 0.198 223 Q C 2.263 178.242 176.000 -0.035 0.000 0.960 223 Q CA 0.874 56.659 55.803 -0.030 0.000 0.847 223 Q CB -0.220 28.503 28.738 -0.025 0.000 0.915 223 Q HN 0.385 nan 8.270 nan 0.000 0.448 224 L N 1.234 122.430 121.223 -0.046 0.000 2.081 224 L HA -0.156 4.185 4.340 0.001 0.000 0.212 224 L C 1.798 178.650 176.870 -0.031 0.000 1.080 224 L CA 1.542 56.351 54.840 -0.050 0.000 0.754 224 L CB -0.270 41.746 42.059 -0.071 0.000 0.893 224 L HN 0.208 nan 8.230 nan 0.000 0.433 225 L N -0.861 120.346 121.223 -0.026 0.000 2.599 225 L HA -0.010 4.331 4.340 0.001 0.000 0.230 225 L C 1.604 178.472 176.870 -0.004 0.000 1.141 225 L CA 0.245 55.079 54.840 -0.010 0.000 0.877 225 L CB -0.612 41.440 42.059 -0.010 0.000 1.009 225 L HN 0.420 nan 8.230 nan 0.000 0.447 226 Q N -0.556 119.235 119.800 -0.014 0.000 2.350 226 Q HA 0.200 4.540 4.340 0.001 0.000 0.225 226 Q C 2.275 178.267 176.000 -0.014 0.000 0.878 226 Q CA 0.753 56.544 55.803 -0.019 0.000 0.935 226 Q CB 0.237 28.950 28.738 -0.042 0.000 1.099 226 Q HN 0.328 nan 8.270 nan 0.000 0.527 227 A N 2.642 125.456 122.820 -0.010 0.000 1.859 227 A HA -0.283 4.038 4.320 0.001 0.000 0.218 227 A C 1.913 179.522 177.584 0.042 0.000 1.209 227 A CA 2.031 54.067 52.037 -0.003 0.000 0.639 227 A CB -0.751 18.244 19.000 -0.008 0.000 0.835 227 A HN 0.386 nan 8.150 nan 0.000 0.450 228 N N -0.067 118.677 118.700 0.073 0.000 2.058 228 N HA -0.111 4.629 4.740 0.001 0.000 0.191 228 N C -0.673 174.928 175.510 0.151 0.000 1.037 228 N CA 1.869 55.000 53.050 0.135 0.000 0.848 228 N CB -1.668 36.893 38.487 0.124 0.000 1.021 228 N HN 0.301 nan 8.380 nan 0.000 0.422 229 P HA -0.117 nan 4.420 nan 0.000 0.217 229 P C 1.522 178.908 177.300 0.144 0.000 1.148 229 P CA 1.044 64.214 63.100 0.117 0.000 0.834 229 P CB -0.006 31.731 31.700 0.062 0.000 0.783 230 I N -1.986 118.647 120.570 0.105 0.000 2.235 230 I HA -0.159 4.012 4.170 0.001 0.000 0.241 230 I C 2.364 178.646 176.117 0.274 0.000 1.085 230 I CA 0.970 62.351 61.300 0.135 0.000 1.378 230 I CB -0.631 37.352 38.000 -0.029 0.000 1.076 230 I HN -0.145 nan 8.210 nan 0.000 0.415 231 L N 0.492 121.829 121.223 0.191 0.000 2.012 231 L HA -0.264 4.077 4.340 0.001 0.000 0.210 231 L C 2.531 179.676 176.870 0.459 0.000 1.073 231 L CA 1.627 56.609 54.840 0.236 0.000 0.748 231 L CB -0.592 41.588 42.059 0.201 0.000 0.891 231 L HN 0.252 nan 8.230 nan 0.000 0.431 232 E N -0.141 120.317 120.200 0.430 0.000 2.097 232 E HA -0.272 4.079 4.350 0.001 0.000 0.196 232 E C 2.199 179.032 176.600 0.388 0.000 1.000 232 E CA 1.448 58.116 56.400 0.447 0.000 0.804 232 E CB -0.138 29.774 29.700 0.354 0.000 0.740 232 E HN 0.493 nan 8.360 nan 0.000 0.454 233 A N -0.493 122.510 122.820 0.305 0.000 1.978 233 A HA -0.161 4.160 4.320 0.001 0.000 0.220 233 A C 1.674 179.147 177.584 -0.185 0.000 1.170 233 A CA 1.282 53.356 52.037 0.061 0.000 0.636 233 A CB -0.446 18.549 19.000 -0.009 0.000 0.810 233 A HN 0.295 nan 8.150 nan 0.000 0.448 234 F N -1.647 118.434 119.950 0.219 0.000 2.678 234 F HA 0.271 4.799 4.527 0.002 0.000 0.291 234 F C 2.239 178.159 175.800 0.200 0.000 1.123 234 F CA 0.628 58.755 58.000 0.213 0.000 1.395 234 F CB 0.176 39.254 39.000 0.130 0.000 1.121 234 F HN 0.255 nan 8.300 nan 0.000 0.592 235 G N -1.095 107.981 108.800 0.461 0.000 3.192 235 G HA2 0.096 4.057 3.960 0.001 0.000 0.239 235 G HA3 0.096 4.057 3.960 0.001 0.000 0.239 235 G C 0.048 175.386 174.900 0.731 0.000 1.084 235 G CA -0.062 45.203 45.100 0.275 0.000 0.784 235 G HN 0.059 nan 8.290 nan 0.000 0.540 236 N N 0.214 119.192 118.700 0.464 0.000 2.477 236 N HA 0.780 5.521 4.740 0.001 0.000 0.284 236 N C -0.324 174.934 175.510 -0.420 0.000 1.182 236 N CA 0.196 53.309 53.050 0.104 0.000 0.949 236 N CB 1.911 40.465 38.487 0.112 0.000 1.204 236 N HN 0.256 nan 8.380 nan 0.000 0.526 237 A N 0.164 122.727 122.820 -0.429 0.000 2.608 237 A HA 0.419 4.740 4.320 0.001 0.000 0.292 237 A C -1.387 176.143 177.584 -0.091 0.000 1.066 237 A CA -0.810 50.958 52.037 -0.449 0.000 0.676 237 A CB 0.876 19.560 19.000 -0.526 0.000 1.277 237 A HN 0.594 nan 8.150 nan 0.000 0.413 238 K N 1.283 121.682 120.400 -0.002 0.000 2.316 238 K HA 0.478 4.799 4.320 0.001 0.000 0.289 238 K C 0.167 176.714 176.600 -0.088 0.000 1.070 238 K CA 0.549 56.834 56.287 -0.004 0.000 0.928 238 K CB 0.340 32.810 32.500 -0.049 0.000 1.039 238 K HN 0.916 nan 8.250 nan 0.000 0.480 239 T N -0.211 114.317 114.554 -0.044 0.000 2.949 239 T HA 0.199 4.550 4.350 0.001 0.000 0.287 239 T C 1.386 176.078 174.700 -0.013 0.000 1.034 239 T CA -0.478 61.578 62.100 -0.073 0.000 1.018 239 T CB 1.320 70.230 68.868 0.071 0.000 1.135 239 T HN 0.350 nan 8.240 nan 0.000 0.532 240 V N -0.210 119.696 119.914 -0.014 0.000 2.594 240 V HA -0.042 4.078 4.120 0.001 0.000 0.253 240 V C 2.180 178.319 176.094 0.075 0.000 1.069 240 V CA 1.010 63.322 62.300 0.021 0.000 1.082 240 V CB -1.184 30.656 31.823 0.027 0.000 0.680 240 V HN 0.799 nan 8.190 nan 0.000 0.469 241 K N 0.777 121.276 120.400 0.165 0.000 2.186 241 K HA 0.142 4.463 4.320 0.001 0.000 0.202 241 K C 0.599 177.266 176.600 0.112 0.000 1.052 241 K CA 0.590 56.947 56.287 0.118 0.000 0.965 241 K CB -0.162 32.398 32.500 0.101 0.000 0.746 241 K HN 0.592 nan 8.250 nan 0.000 0.457 242 N N 0.517 119.284 118.700 0.111 0.000 2.324 242 N HA 0.069 4.809 4.740 0.001 0.000 0.285 242 N C -0.669 174.890 175.510 0.082 0.000 1.076 242 N CA -0.194 52.920 53.050 0.107 0.000 0.864 242 N CB 1.879 40.436 38.487 0.116 0.000 1.632 242 N HN -0.266 nan 8.380 nan 0.000 0.478 243 D N 0.607 121.053 120.400 0.077 0.000 2.194 243 D HA -0.050 4.591 4.640 0.001 0.000 0.204 243 D C 0.226 176.615 176.300 0.148 0.000 0.964 243 D CA 1.113 55.151 54.000 0.065 0.000 0.846 243 D CB 0.144 40.958 40.800 0.023 0.000 0.962 243 D HN 0.574 nan 8.370 nan 0.000 0.490 244 N N 0.195 118.997 118.700 0.170 0.000 2.806 244 N HA 0.010 4.751 4.740 0.001 0.000 0.315 244 N C -1.192 174.434 175.510 0.194 0.000 1.738 244 N CA -0.177 53.042 53.050 0.282 0.000 0.993 244 N CB 0.364 38.981 38.487 0.217 0.000 1.324 244 N HN -0.259 nan 8.380 nan 0.000 0.493 245 S N 0.210 115.989 115.700 0.131 0.000 2.499 245 S HA 0.263 4.734 4.470 0.001 0.000 0.275 245 S C -0.106 174.520 174.600 0.044 0.000 1.257 245 S CA -0.507 57.737 58.200 0.074 0.000 1.050 245 S CB 0.186 63.428 63.200 0.070 0.000 0.937 245 S HN 0.365 nan 8.310 nan 0.000 0.490 246 S N 5.221 120.915 115.700 -0.010 0.000 2.465 246 S HA 0.235 4.706 4.470 0.001 0.000 0.280 246 S C 0.514 175.065 174.600 -0.082 0.000 1.232 246 S CA -0.606 57.507 58.200 -0.145 0.000 1.066 246 S CB 0.253 63.226 63.200 -0.378 0.000 0.929 246 S HN 0.583 nan 8.310 nan 0.000 0.494 247 R N 2.553 123.131 120.500 0.131 0.000 2.893 247 R HA 0.300 4.641 4.340 0.001 0.000 0.317 247 R C -0.717 175.774 176.300 0.319 0.000 1.239 247 R CA -0.277 55.947 56.100 0.208 0.000 1.128 247 R CB -1.136 29.328 30.300 0.273 0.000 1.377 247 R HN 0.691 nan 8.270 nan 0.000 0.583 248 F N -4.338 115.661 119.950 0.082 0.000 2.690 248 F HA 0.606 5.133 4.527 0.001 0.000 0.311 248 F C -0.057 175.839 175.800 0.161 0.000 1.111 248 F CA -1.730 56.322 58.000 0.086 0.000 1.003 248 F CB 0.373 39.392 39.000 0.031 0.000 1.283 248 F HN -0.049 nan 8.300 nan 0.000 0.442 249 G N 1.592 110.534 108.800 0.237 0.000 2.599 249 G HA2 0.533 4.493 3.960 0.001 0.000 0.264 249 G HA3 0.533 4.493 3.960 0.001 0.000 0.264 249 G C -1.463 173.709 174.900 0.454 0.000 1.200 249 G CA -0.703 44.535 45.100 0.231 0.000 0.896 249 G HN 1.068 nan 8.290 nan 0.000 0.536 250 K N -0.402 120.236 120.400 0.397 0.000 2.571 250 K HA 0.352 4.673 4.320 0.001 0.000 0.252 250 K C -2.357 174.510 176.600 0.446 0.000 0.956 250 K CA -0.827 55.732 56.287 0.454 0.000 0.822 250 K CB 1.711 34.450 32.500 0.398 0.000 1.286 250 K HN 0.310 nan 8.250 nan 0.000 0.439 251 F N 5.894 126.028 119.950 0.307 0.000 2.347 251 F HA 0.465 4.993 4.527 0.001 0.000 0.366 251 F C -1.119 174.758 175.800 0.128 0.000 1.107 251 F CA -1.244 56.886 58.000 0.217 0.000 1.058 251 F CB 0.524 39.690 39.000 0.276 0.000 1.236 251 F HN 0.436 nan 8.300 nan 0.000 0.456 252 I N 6.406 126.812 120.570 -0.273 0.000 2.325 252 I HA 0.351 4.522 4.170 0.001 0.000 0.291 252 I C 0.046 175.830 176.117 -0.555 0.000 1.019 252 I CA -0.205 60.916 61.300 -0.299 0.000 1.302 252 I CB 0.917 38.849 38.000 -0.114 0.000 1.401 252 I HN 0.468 nan 8.210 nan 0.000 0.485 253 R N 7.969 128.173 120.500 -0.494 0.000 2.288 253 R HA 0.538 4.879 4.340 0.001 0.000 0.326 253 R C -1.269 174.937 176.300 -0.156 0.000 0.959 253 R CA -0.553 55.309 56.100 -0.396 0.000 0.834 253 R CB 0.727 30.704 30.300 -0.539 0.000 1.157 253 R HN 0.627 nan 8.270 nan 0.000 0.470 254 I N 4.411 124.968 120.570 -0.021 0.000 2.342 254 I HA 0.184 4.355 4.170 0.001 0.000 0.291 254 I C -0.106 175.967 176.117 -0.073 0.000 1.010 254 I CA -0.741 60.483 61.300 -0.127 0.000 1.308 254 I CB 1.295 39.170 38.000 -0.208 0.000 1.400 254 I HN 0.452 nan 8.210 nan 0.000 0.488 255 N N 6.815 125.399 118.700 -0.193 0.000 2.438 255 N HA 0.501 5.242 4.740 0.001 0.000 0.282 255 N C -0.959 174.431 175.510 -0.200 0.000 1.037 255 N CA -0.178 52.858 53.050 -0.023 0.000 0.942 255 N CB 1.539 40.023 38.487 -0.004 0.000 1.136 255 N HN 0.243 nan 8.380 nan 0.000 0.481 256 F N -0.165 119.840 119.950 0.092 0.000 2.598 256 F HA 0.309 4.837 4.527 0.001 0.000 0.327 256 F C 0.710 176.552 175.800 0.070 0.000 1.057 256 F CA -1.128 56.922 58.000 0.083 0.000 0.957 256 F CB 0.913 39.992 39.000 0.132 0.000 1.278 256 F HN 0.320 nan 8.300 nan 0.000 0.484 257 D N -0.426 120.132 120.400 0.263 0.000 2.466 257 D HA 0.241 4.882 4.640 0.001 0.000 0.262 257 D C 1.124 177.506 176.300 0.138 0.000 1.177 257 D CA -0.543 53.549 54.000 0.154 0.000 1.035 257 D CB 0.341 41.202 40.800 0.101 0.000 1.105 257 D HN 0.372 nan 8.370 nan 0.000 0.551 258 V N -2.644 117.319 119.914 0.082 0.000 2.867 258 V HA -0.181 3.939 4.120 0.001 0.000 0.260 258 V C 1.577 177.691 176.094 0.033 0.000 1.099 258 V CA 1.883 64.211 62.300 0.046 0.000 1.122 258 V CB -1.586 30.254 31.823 0.029 0.000 0.708 258 V HN 0.619 nan 8.190 nan 0.000 0.490 259 T N 0.102 114.690 114.554 0.056 0.000 2.985 259 T HA 0.342 4.693 4.350 0.001 0.000 0.266 259 T C 1.661 176.401 174.700 0.066 0.000 1.076 259 T CA 1.368 63.496 62.100 0.047 0.000 1.135 259 T CB 0.049 68.951 68.868 0.056 0.000 0.890 259 T HN 1.169 nan 8.240 nan 0.000 0.480 260 G N -0.592 108.288 108.800 0.133 0.000 2.211 260 G HA2 -0.067 3.894 3.960 0.001 0.000 0.201 260 G HA3 -0.067 3.894 3.960 0.001 0.000 0.201 260 G C 0.130 175.307 174.900 0.461 0.000 0.997 260 G CA -0.170 45.062 45.100 0.220 0.000 0.652 260 G HN 0.867 nan 8.290 nan 0.000 0.500 261 Y N 1.125 121.613 120.300 0.313 0.000 2.346 261 Y HA 0.697 5.248 4.550 0.001 0.000 0.330 261 Y C 1.058 177.087 175.900 0.216 0.000 1.178 261 Y CA -0.465 57.785 58.100 0.250 0.000 1.331 261 Y CB 0.328 38.860 38.460 0.119 0.000 1.253 261 Y HN 0.424 nan 8.280 nan 0.000 0.529 262 I N 3.331 123.921 120.570 0.033 0.000 2.710 262 I HA 0.024 4.195 4.170 0.001 0.000 0.286 262 I C 0.752 176.773 176.117 -0.160 0.000 1.181 262 I CA 0.675 61.796 61.300 -0.298 0.000 1.430 262 I CB 0.949 38.730 38.000 -0.365 0.000 1.367 262 I HN 0.683 nan 8.210 nan 0.000 0.577 263 V N 4.848 124.652 119.914 -0.184 0.000 3.058 263 V HA 0.325 4.446 4.120 0.001 0.000 0.233 263 V C 0.769 176.798 176.094 -0.109 0.000 1.255 263 V CA 0.977 63.222 62.300 -0.092 0.000 1.267 263 V CB 0.978 32.785 31.823 -0.026 0.000 1.049 263 V HN 0.927 nan 8.190 nan 0.000 0.486 264 G N -1.020 107.694 108.800 -0.143 0.000 3.135 264 G HA2 0.804 4.765 3.960 0.001 0.000 0.278 264 G HA3 0.804 4.765 3.960 0.001 0.000 0.278 264 G C -1.402 173.399 174.900 -0.165 0.000 1.302 264 G CA -0.176 44.849 45.100 -0.126 0.000 0.880 264 G HN 0.931 nan 8.290 nan 0.000 0.574 265 A N -0.535 122.201 122.820 -0.139 0.000 2.573 265 A HA 0.596 4.917 4.320 0.001 0.000 0.312 265 A C -1.438 176.066 177.584 -0.133 0.000 1.041 265 A CA -0.408 51.541 52.037 -0.148 0.000 0.880 265 A CB 0.843 19.756 19.000 -0.146 0.000 1.249 265 A HN 1.225 nan 8.150 nan 0.000 0.385 266 N N 1.720 120.332 118.700 -0.147 0.000 2.480 266 N HA 0.660 5.401 4.740 0.001 0.000 0.289 266 N C -1.333 174.091 175.510 -0.143 0.000 1.073 266 N CA -0.436 52.530 53.050 -0.140 0.000 0.885 266 N CB 0.952 39.358 38.487 -0.135 0.000 1.421 266 N HN 0.548 nan 8.380 nan 0.000 0.503 267 I N 1.968 122.468 120.570 -0.117 0.000 2.315 267 I HA 0.280 4.451 4.170 0.001 0.000 0.291 267 I C -0.034 176.041 176.117 -0.069 0.000 1.006 267 I CA -0.634 60.618 61.300 -0.081 0.000 1.265 267 I CB 1.364 39.333 38.000 -0.053 0.000 1.387 267 I HN 0.578 nan 8.210 nan 0.000 0.475 268 E N 5.646 125.836 120.200 -0.016 0.000 2.158 268 E HA 0.462 4.813 4.350 0.001 0.000 0.271 268 E C -0.617 175.903 176.600 -0.133 0.000 0.911 268 E CA -0.600 55.744 56.400 -0.093 0.000 0.767 268 E CB 1.359 31.036 29.700 -0.037 0.000 1.120 268 E HN 0.620 nan 8.360 nan 0.000 0.405 269 T N 1.622 116.046 114.554 -0.217 0.000 2.918 269 T HA 0.623 4.974 4.350 0.001 0.000 0.286 269 T C -0.870 173.661 174.700 -0.282 0.000 1.026 269 T CA -0.545 61.551 62.100 -0.007 0.000 1.031 269 T CB 0.559 69.596 68.868 0.281 0.000 1.046 269 T HN 0.382 nan 8.240 nan 0.000 0.479 270 Y N 1.064 121.566 120.300 0.337 0.000 2.512 270 Y HA 0.598 5.149 4.550 0.001 0.000 0.348 270 Y C 0.023 176.042 175.900 0.198 0.000 0.990 270 Y CA -1.858 56.413 58.100 0.284 0.000 1.033 270 Y CB 1.463 40.130 38.460 0.346 0.000 1.259 270 Y HN 0.832 nan 8.280 nan 0.000 0.461 271 L N 2.532 123.888 121.223 0.222 0.000 3.798 271 L HA -0.219 4.122 4.340 0.001 0.000 0.582 271 L C -1.237 175.679 176.870 0.076 0.000 1.096 271 L CA 0.349 55.187 54.840 -0.005 0.000 0.892 271 L CB -0.813 41.089 42.059 -0.261 0.000 1.181 271 L HN 0.567 nan 8.230 nan 0.000 0.772 272 L N 3.327 124.590 121.223 0.066 0.000 2.319 272 L HA 0.256 4.597 4.340 0.001 0.000 0.280 272 L C 1.029 177.940 176.870 0.067 0.000 1.099 272 L CA 0.398 55.253 54.840 0.025 0.000 0.828 272 L CB 0.899 42.819 42.059 -0.231 0.000 1.150 272 L HN 0.543 nan 8.230 nan 0.000 0.442 273 E N 3.784 124.082 120.200 0.163 0.000 2.053 273 E HA -0.044 4.307 4.350 0.001 0.000 0.297 273 E C 0.659 177.407 176.600 0.247 0.000 1.173 273 E CA 0.030 56.526 56.400 0.161 0.000 1.219 273 E CB 0.215 29.995 29.700 0.134 0.000 1.103 273 E HN 0.661 nan 8.360 nan 0.000 0.476 274 K N 0.094 120.585 120.400 0.152 0.000 2.074 274 K HA -0.200 4.121 4.320 0.001 0.000 0.209 274 K C 1.999 178.644 176.600 0.074 0.000 1.048 274 K CA 1.767 58.141 56.287 0.145 0.000 0.926 274 K CB 0.013 32.567 32.500 0.090 0.000 0.713 274 K HN 0.270 nan 8.250 nan 0.000 0.444 275 S N 1.308 117.020 115.700 0.019 0.000 2.389 275 S HA -0.299 4.171 4.470 0.001 0.000 0.231 275 S C 1.899 176.421 174.600 -0.130 0.000 1.052 275 S CA 1.774 59.937 58.200 -0.061 0.000 1.053 275 S CB -0.492 62.685 63.200 -0.038 0.000 0.886 275 S HN 0.372 nan 8.310 nan 0.000 0.456 276 R N 1.928 122.367 120.500 -0.102 0.000 2.211 276 R HA -0.102 4.239 4.340 0.001 0.000 0.240 276 R C 2.229 178.356 176.300 -0.288 0.000 1.144 276 R CA 1.169 57.120 56.100 -0.249 0.000 0.992 276 R CB -0.600 29.429 30.300 -0.453 0.000 0.869 276 R HN 0.446 nan 8.270 nan 0.000 0.462 277 A N 1.475 124.195 122.820 -0.167 0.000 2.019 277 A HA -0.109 4.212 4.320 0.001 0.000 0.219 277 A C 2.028 179.202 177.584 -0.684 0.000 1.164 277 A CA 1.521 53.341 52.037 -0.362 0.000 0.644 277 A CB -0.482 18.325 19.000 -0.323 0.000 0.805 277 A HN 0.631 nan 8.150 nan 0.000 0.449 278 I N -5.079 115.042 120.570 -0.749 0.000 4.154 278 I HA 0.475 4.646 4.170 0.001 0.000 0.334 278 I C 0.140 175.899 176.117 -0.597 0.000 1.371 278 I CA -0.038 60.504 61.300 -1.264 0.000 1.110 278 I CB 0.187 37.304 38.000 -1.471 0.000 1.085 278 I HN 0.169 nan 8.210 nan 0.000 0.398 279 R N 1.252 121.537 120.500 -0.358 0.000 2.725 279 R HA 0.427 4.768 4.340 0.001 0.000 0.254 279 R C -1.904 174.286 176.300 -0.184 0.000 1.076 279 R CA -0.386 55.597 56.100 -0.194 0.000 0.940 279 R CB 1.599 31.816 30.300 -0.138 0.000 1.260 279 R HN 0.235 nan 8.270 nan 0.000 0.466 280 Q N 1.038 120.754 119.800 -0.140 0.000 2.340 280 Q HA 0.631 4.972 4.340 0.001 0.000 0.276 280 Q C -1.016 174.905 176.000 -0.132 0.000 1.048 280 Q CA -0.670 55.035 55.803 -0.163 0.000 0.832 280 Q CB 2.223 30.865 28.738 -0.161 0.000 1.373 280 Q HN 0.715 nan 8.270 nan 0.000 0.409 281 A N 1.310 124.029 122.820 -0.169 0.000 2.292 281 A HA 0.512 4.833 4.320 0.001 0.000 0.265 281 A C -0.090 177.423 177.584 -0.119 0.000 1.133 281 A CA -0.334 51.620 52.037 -0.138 0.000 0.807 281 A CB 0.162 19.057 19.000 -0.174 0.000 1.102 281 A HN 0.599 nan 8.150 nan 0.000 0.502 282 K N 0.328 120.674 120.400 -0.090 0.000 2.559 282 K HA -0.035 4.286 4.320 0.001 0.000 0.279 282 K C 0.032 176.580 176.600 -0.088 0.000 0.967 282 K CA 1.368 57.612 56.287 -0.072 0.000 1.000 282 K CB -0.221 32.247 32.500 -0.053 0.000 0.890 282 K HN 0.648 nan 8.250 nan 0.000 0.501 283 D N 1.454 121.809 120.400 -0.075 0.000 2.931 283 D HA -0.210 4.431 4.640 0.001 0.000 0.228 283 D C -0.722 175.510 176.300 -0.114 0.000 1.180 283 D CA 1.176 55.125 54.000 -0.086 0.000 0.784 283 D CB -0.197 40.559 40.800 -0.072 0.000 1.093 283 D HN 0.607 nan 8.370 nan 0.000 0.421 284 E N -0.156 119.968 120.200 -0.127 0.000 2.244 284 E HA 0.512 4.863 4.350 0.001 0.000 0.266 284 E C 0.519 177.035 176.600 -0.141 0.000 0.914 284 E CA -0.724 55.579 56.400 -0.160 0.000 0.794 284 E CB 2.536 32.108 29.700 -0.212 0.000 1.210 284 E HN 0.204 nan 8.360 nan 0.000 0.414 285 R N 0.195 120.597 120.500 -0.163 0.000 2.867 285 R HA 0.512 4.853 4.340 0.001 0.000 0.268 285 R C -0.037 176.217 176.300 -0.076 0.000 1.014 285 R CA -0.585 55.455 56.100 -0.099 0.000 0.946 285 R CB 1.575 31.635 30.300 -0.400 0.000 1.208 285 R HN 0.478 nan 8.270 nan 0.000 0.477 286 T N -0.087 114.541 114.554 0.124 0.000 2.801 286 T HA 0.307 4.657 4.350 0.001 0.000 0.324 286 T C -0.250 174.420 174.700 -0.051 0.000 1.088 286 T CA -0.533 61.495 62.100 -0.119 0.000 0.975 286 T CB 0.002 68.781 68.868 -0.149 0.000 1.316 286 T HN 0.273 nan 8.240 nan 0.000 0.533 287 F N 1.950 121.986 119.950 0.143 0.000 2.602 287 F HA 0.135 4.663 4.527 0.001 0.000 0.385 287 F C 1.888 177.768 175.800 0.133 0.000 1.063 287 F CA 0.024 58.070 58.000 0.076 0.000 1.233 287 F CB -0.028 39.060 39.000 0.146 0.000 1.067 287 F HN 0.615 nan 8.300 nan 0.000 0.564 288 H N 2.346 121.462 119.070 0.077 0.000 2.330 288 H HA -0.257 4.300 4.556 0.002 0.000 0.290 288 H C 2.340 177.254 175.328 -0.690 0.000 1.111 288 H CA 2.190 58.029 56.048 -0.350 0.000 1.226 288 H CB -0.499 28.835 29.762 -0.714 0.000 1.355 288 H HN 0.619 nan 8.280 nan 0.000 0.485 289 I N 0.686 120.928 120.570 -0.546 0.000 2.236 289 I HA -0.282 3.889 4.170 0.001 0.000 0.249 289 I C 1.969 177.933 176.117 -0.255 0.000 1.102 289 I CA 1.031 62.004 61.300 -0.545 0.000 1.365 289 I CB -0.705 36.782 38.000 -0.855 0.000 1.051 289 I HN -0.019 nan 8.210 nan 0.000 0.420 290 F N -0.588 119.358 119.950 -0.008 0.000 2.075 290 F HA -0.230 4.298 4.527 0.001 0.000 0.297 290 F C 2.326 178.094 175.800 -0.054 0.000 1.113 290 F CA 1.916 59.861 58.000 -0.091 0.000 1.218 290 F CB -1.324 37.542 39.000 -0.223 0.000 0.984 290 F HN 0.066 nan 8.300 nan 0.000 0.472 291 Y N -1.846 118.690 120.300 0.392 0.000 2.274 291 Y HA -0.253 4.298 4.550 0.001 0.000 0.290 291 Y C 2.301 178.549 175.900 0.579 0.000 1.145 291 Y CA 0.999 59.456 58.100 0.596 0.000 1.203 291 Y CB -0.849 37.871 38.460 0.433 0.000 0.984 291 Y HN 0.006 nan 8.280 nan 0.000 0.533 292 Y N -0.714 119.790 120.300 0.341 0.000 2.092 292 Y HA -0.232 4.319 4.550 0.002 0.000 0.282 292 Y C 2.400 178.241 175.900 -0.099 0.000 1.126 292 Y CA 0.620 58.857 58.100 0.228 0.000 1.111 292 Y CB -1.335 37.305 38.460 0.301 0.000 0.987 292 Y HN 0.146 nan 8.280 nan 0.000 0.489 293 L N 0.358 121.570 121.223 -0.019 0.000 1.990 293 L HA -0.216 4.125 4.340 0.001 0.000 0.213 293 L C 2.225 178.850 176.870 -0.409 0.000 1.072 293 L CA 1.733 56.273 54.840 -0.501 0.000 0.755 293 L CB -1.012 40.953 42.059 -0.156 0.000 0.889 293 L HN 0.190 nan 8.230 nan 0.000 0.432 294 I N -0.391 120.050 120.570 -0.215 0.000 2.335 294 I HA -0.303 3.867 4.170 0.001 0.000 0.251 294 I C 2.325 178.309 176.117 -0.221 0.000 1.129 294 I CA 1.307 62.408 61.300 -0.332 0.000 1.402 294 I CB -0.460 37.114 38.000 -0.710 0.000 1.069 294 I HN 0.444 nan 8.210 nan 0.000 0.424 295 A N -0.396 122.475 122.820 0.085 0.000 2.147 295 A HA 0.257 4.578 4.320 0.001 0.000 0.211 295 A C 1.967 179.573 177.584 0.037 0.000 1.160 295 A CA 0.975 53.158 52.037 0.245 0.000 0.781 295 A CB -0.208 19.118 19.000 0.543 0.000 0.842 295 A HN 0.424 nan 8.150 nan 0.000 0.475 296 G N -1.108 107.579 108.800 -0.189 0.000 3.528 296 G HA2 0.460 4.421 3.960 0.001 0.000 0.266 296 G HA3 0.460 4.421 3.960 0.001 0.000 0.266 296 G C 0.445 175.179 174.900 -0.277 0.000 1.004 296 G CA 0.633 45.635 45.100 -0.164 0.000 0.853 296 G HN 0.630 nan 8.290 nan 0.000 0.501 297 A N 1.233 123.774 122.820 -0.465 0.000 2.440 297 A HA 0.561 4.882 4.320 0.001 0.000 0.251 297 A C 1.097 178.666 177.584 -0.026 0.000 1.089 297 A CA 0.309 52.201 52.037 -0.243 0.000 0.779 297 A CB 0.209 19.063 19.000 -0.242 0.000 1.022 297 A HN 1.000 nan 8.150 nan 0.000 0.492 298 S N 1.416 117.161 115.700 0.075 0.000 2.573 298 S HA 0.032 4.503 4.470 0.001 0.000 0.277 298 S C 0.922 175.537 174.600 0.025 0.000 1.346 298 S CA 0.440 58.677 58.200 0.060 0.000 1.034 298 S CB 0.756 64.004 63.200 0.080 0.000 0.879 298 S HN 0.816 nan 8.310 nan 0.000 0.528 299 E N 1.722 121.932 120.200 0.017 0.000 2.171 299 E HA -0.267 4.084 4.350 0.001 0.000 0.197 299 E C 2.523 179.126 176.600 0.006 0.000 0.997 299 E CA 1.791 58.194 56.400 0.005 0.000 0.810 299 E CB -0.519 29.183 29.700 0.005 0.000 0.738 299 E HN 0.944 nan 8.360 nan 0.000 0.467 300 Q N 0.196 120.005 119.800 0.016 0.000 2.230 300 Q HA -0.040 4.300 4.340 0.001 0.000 0.202 300 Q C 1.714 177.726 176.000 0.019 0.000 0.963 300 Q CA 1.509 57.322 55.803 0.016 0.000 0.866 300 Q CB -0.557 28.193 28.738 0.021 0.000 0.931 300 Q HN 0.499 nan 8.270 nan 0.000 0.452 301 M N -1.131 118.485 119.600 0.027 0.000 2.357 301 M HA 0.079 4.560 4.480 0.001 0.000 0.266 301 M C 2.204 178.510 176.300 0.010 0.000 1.095 301 M CA 1.160 56.480 55.300 0.033 0.000 1.156 301 M CB 0.296 32.936 32.600 0.066 0.000 1.365 301 M HN 0.336 nan 8.290 nan 0.000 0.447 302 R N 1.912 122.409 120.500 -0.006 0.000 2.113 302 R HA -0.186 4.155 4.340 0.001 0.000 0.244 302 R C 1.567 177.856 176.300 -0.019 0.000 1.142 302 R CA 2.544 58.630 56.100 -0.024 0.000 0.953 302 R CB -1.047 29.236 30.300 -0.029 0.000 0.860 302 R HN 0.840 nan 8.270 nan 0.000 0.438 303 N N -1.574 117.116 118.700 -0.016 0.000 2.280 303 N HA -0.046 4.695 4.740 0.001 0.000 0.192 303 N C 0.759 176.257 175.510 -0.019 0.000 1.109 303 N CA 0.463 53.498 53.050 -0.025 0.000 0.855 303 N CB 0.177 38.647 38.487 -0.027 0.000 0.974 303 N HN 0.080 nan 8.380 nan 0.000 0.482 304 D N 1.226 121.626 120.400 0.000 0.000 2.213 304 D HA 0.008 4.649 4.640 0.001 0.000 0.205 304 D C 1.616 177.934 176.300 0.031 0.000 0.961 304 D CA 0.628 54.639 54.000 0.018 0.000 0.853 304 D CB 0.103 40.919 40.800 0.027 0.000 0.967 304 D HN 0.293 nan 8.370 nan 0.000 0.496 305 L N -0.176 121.059 121.223 0.021 0.000 2.585 305 L HA 0.259 4.600 4.340 0.001 0.000 0.226 305 L C 0.631 177.514 176.870 0.022 0.000 1.113 305 L CA -0.026 54.833 54.840 0.031 0.000 0.876 305 L CB 0.162 42.236 42.059 0.025 0.000 1.072 305 L HN 0.043 nan 8.230 nan 0.000 0.468 306 L N 0.205 121.423 121.223 -0.008 0.000 3.717 306 L HA -0.237 4.104 4.340 0.001 0.000 0.411 306 L C 0.071 176.950 176.870 0.015 0.000 1.233 306 L CA 0.055 54.876 54.840 -0.031 0.000 0.917 306 L CB -1.856 40.160 42.059 -0.071 0.000 1.902 306 L HN 0.219 nan 8.230 nan 0.000 0.894 307 L N 0.194 121.436 121.223 0.031 0.000 2.452 307 L HA 0.171 4.512 4.340 0.001 0.000 0.267 307 L C 1.057 177.956 176.870 0.049 0.000 1.188 307 L CA 0.638 55.536 54.840 0.096 0.000 0.821 307 L CB 0.943 43.014 42.059 0.021 0.000 1.102 307 L HN 0.200 nan 8.230 nan 0.000 0.470 308 E N -0.294 119.977 120.200 0.119 0.000 2.639 308 E HA 0.545 4.896 4.350 0.001 0.000 0.219 308 E C -0.358 176.185 176.600 -0.096 0.000 0.800 308 E CA -0.618 55.671 56.400 -0.184 0.000 1.002 308 E CB 1.135 30.361 29.700 -0.789 0.000 1.621 308 E HN 0.625 nan 8.360 nan 0.000 0.396 309 G N -0.631 108.051 108.800 -0.198 0.000 2.491 309 G HA2 0.247 4.208 3.960 0.001 0.000 0.327 309 G HA3 0.247 4.208 3.960 0.001 0.000 0.327 309 G C -0.313 174.556 174.900 -0.051 0.000 1.189 309 G CA -0.440 44.586 45.100 -0.123 0.000 0.956 309 G HN 0.402 nan 8.290 nan 0.000 0.491 310 F N 0.141 120.172 119.950 0.135 0.000 2.307 310 F HA -0.077 4.451 4.527 0.001 0.000 0.301 310 F C 2.280 178.165 175.800 0.141 0.000 1.076 310 F CA 1.277 59.386 58.000 0.182 0.000 1.383 310 F CB 0.207 39.346 39.000 0.230 0.000 1.055 310 F HN 0.434 nan 8.300 nan 0.000 0.526 311 N N -0.897 117.927 118.700 0.207 0.000 2.238 311 N HA 0.067 4.808 4.740 0.001 0.000 0.222 311 N C 0.164 175.670 175.510 -0.007 0.000 1.133 311 N CA 0.107 53.224 53.050 0.112 0.000 0.854 311 N CB -0.393 38.151 38.487 0.094 0.000 1.041 311 N HN 0.369 nan 8.380 nan 0.000 0.510 312 N N -0.439 118.192 118.700 -0.115 0.000 2.220 312 N HA 0.076 4.817 4.740 0.001 0.000 0.195 312 N C -0.949 174.296 175.510 -0.443 0.000 1.123 312 N CA -0.028 52.832 53.050 -0.317 0.000 0.874 312 N CB 0.315 38.513 38.487 -0.481 0.000 0.995 312 N HN 0.112 nan 8.380 nan 0.000 0.498 313 Y N -0.067 120.193 120.300 -0.066 0.000 2.328 313 Y HA 0.178 4.729 4.550 0.001 0.000 0.337 313 Y C 1.461 177.328 175.900 -0.056 0.000 0.966 313 Y CA -1.040 57.005 58.100 -0.093 0.000 1.136 313 Y CB 1.664 40.059 38.460 -0.109 0.000 1.170 313 Y HN -0.108 nan 8.280 nan 0.000 0.470 314 T N 0.980 115.576 114.554 0.070 0.000 3.067 314 T HA -0.063 4.288 4.350 0.001 0.000 0.261 314 T C 1.379 176.202 174.700 0.205 0.000 1.110 314 T CA 0.958 63.102 62.100 0.073 0.000 1.113 314 T CB -0.219 68.652 68.868 0.006 0.000 0.917 314 T HN 0.431 nan 8.240 nan 0.000 0.499 315 F N 1.313 121.240 119.950 -0.039 0.000 2.661 315 F HA 0.425 4.953 4.527 0.001 0.000 0.298 315 F C 1.285 176.980 175.800 -0.175 0.000 1.137 315 F CA -0.477 57.440 58.000 -0.139 0.000 1.454 315 F CB -0.316 38.540 39.000 -0.239 0.000 1.103 315 F HN 0.244 nan 8.300 nan 0.000 0.577 316 L N -0.402 120.873 121.223 0.088 0.000 2.796 316 L HA 0.095 4.436 4.340 0.001 0.000 0.235 316 L C 1.661 178.593 176.870 0.102 0.000 1.344 316 L CA -0.192 54.676 54.840 0.047 0.000 1.245 316 L CB -0.629 41.476 42.059 0.077 0.000 1.556 316 L HN -0.004 nan 8.230 nan 0.000 0.423 317 S N 1.386 117.124 115.700 0.065 0.000 2.355 317 S HA -0.269 4.202 4.470 0.001 0.000 0.318 317 S C 1.086 175.725 174.600 0.066 0.000 1.057 317 S CA 1.892 60.121 58.200 0.050 0.000 1.684 317 S CB -0.202 62.999 63.200 0.002 0.000 1.408 317 S HN 0.664 nan 8.310 nan 0.000 0.465 318 N N 2.278 121.013 118.700 0.058 0.000 3.193 318 N HA 0.267 5.008 4.740 0.001 0.000 0.312 318 N C 0.956 176.535 175.510 0.114 0.000 1.261 318 N CA 0.700 53.784 53.050 0.056 0.000 1.208 318 N CB -0.744 37.749 38.487 0.009 0.000 1.471 318 N HN 0.543 nan 8.380 nan 0.000 0.548 319 G N 0.879 109.771 108.800 0.153 0.000 2.606 319 G HA2 -0.336 3.625 3.960 0.001 0.000 0.497 319 G HA3 -0.336 3.625 3.960 0.001 0.000 0.497 319 G C -0.014 175.090 174.900 0.340 0.000 1.309 319 G CA 0.341 45.584 45.100 0.239 0.000 0.936 319 G HN 0.646 nan 8.290 nan 0.000 0.550 320 H N 0.250 119.416 119.070 0.159 0.000 2.761 320 H HA 0.452 5.009 4.556 0.001 0.000 0.284 320 H C -0.597 174.674 175.328 -0.095 0.000 1.105 320 H CA -0.377 55.653 56.048 -0.031 0.000 1.352 320 H CB 0.479 29.974 29.762 -0.445 0.000 1.423 320 H HN 0.164 nan 8.280 nan 0.000 0.464 321 V N 9.509 129.170 119.914 -0.422 0.000 2.288 321 V HA 0.157 4.278 4.120 0.001 0.000 0.266 321 V C -1.961 173.810 176.094 -0.538 0.000 1.048 321 V CA -1.515 60.563 62.300 -0.369 0.000 0.842 321 V CB 0.877 32.526 31.823 -0.290 0.000 1.064 321 V HN 0.739 nan 8.190 nan 0.000 0.472 322 P HA 0.167 nan 4.420 nan 0.000 0.266 322 P C -0.071 177.103 177.300 -0.210 0.000 1.195 322 P CA 0.183 63.129 63.100 -0.258 0.000 0.768 322 P CB 0.856 32.521 31.700 -0.059 0.000 0.838 323 I N 4.151 124.613 120.570 -0.181 0.000 2.797 323 I HA 0.148 4.319 4.170 0.001 0.000 0.310 323 I C -0.828 175.241 176.117 -0.081 0.000 0.990 323 I CA -2.163 59.056 61.300 -0.135 0.000 1.228 323 I CB 0.804 38.722 38.000 -0.136 0.000 1.406 323 I HN 0.303 nan 8.210 nan 0.000 0.534 324 P HA -0.087 nan 4.420 nan 0.000 0.199 324 P C 0.131 177.413 177.300 -0.030 0.000 1.118 324 P CA 0.802 63.876 63.100 -0.043 0.000 0.913 324 P CB 0.091 31.768 31.700 -0.038 0.000 0.738 325 A N -0.731 122.077 122.820 -0.021 0.000 3.282 325 A HA 0.372 4.693 4.320 0.001 0.000 0.287 325 A C 0.169 177.743 177.584 -0.017 0.000 1.366 325 A CA 0.072 52.102 52.037 -0.011 0.000 1.069 325 A CB -0.965 18.037 19.000 0.003 0.000 1.109 325 A HN 0.214 nan 8.150 nan 0.000 0.638 326 Q N -0.103 119.679 119.800 -0.029 0.000 2.389 326 Q HA 0.453 4.793 4.340 0.001 0.000 0.277 326 Q C -1.178 174.803 176.000 -0.031 0.000 1.082 326 Q CA -0.259 55.521 55.803 -0.040 0.000 0.810 326 Q CB 1.903 30.605 28.738 -0.060 0.000 1.374 326 Q HN 0.515 nan 8.270 nan 0.000 0.422 327 Q N 2.488 122.265 119.800 -0.039 0.000 2.464 327 Q HA 0.194 4.535 4.340 0.001 0.000 0.256 327 Q C -0.449 175.526 176.000 -0.041 0.000 1.020 327 Q CA -0.402 55.392 55.803 -0.015 0.000 0.716 327 Q CB 1.399 30.131 28.738 -0.009 0.000 1.230 327 Q HN 0.765 nan 8.270 nan 0.000 0.494 328 D N 2.283 122.698 120.400 0.025 0.000 2.268 328 D HA -0.271 4.370 4.640 0.001 0.000 0.189 328 D C 1.224 177.525 176.300 0.002 0.000 1.010 328 D CA 2.205 56.243 54.000 0.062 0.000 0.862 328 D CB 0.194 41.194 40.800 0.333 0.000 0.943 328 D HN 0.662 nan 8.370 nan 0.000 0.451 329 D N 0.848 121.293 120.400 0.075 0.000 2.158 329 D HA -0.195 4.446 4.640 0.001 0.000 0.197 329 D C 1.733 178.074 176.300 0.067 0.000 0.995 329 D CA 1.023 55.078 54.000 0.091 0.000 0.846 329 D CB -0.605 40.241 40.800 0.077 0.000 0.941 329 D HN 0.425 nan 8.370 nan 0.000 0.456 330 E N -0.046 120.148 120.200 -0.009 0.000 2.028 330 E HA -0.080 4.271 4.350 0.001 0.000 0.191 330 E C 2.343 178.876 176.600 -0.111 0.000 0.988 330 E CA 0.687 57.063 56.400 -0.040 0.000 0.799 330 E CB -0.065 29.607 29.700 -0.048 0.000 0.755 330 E HN 0.142 nan 8.360 nan 0.000 0.447 331 M N 0.060 119.501 119.600 -0.266 0.000 2.267 331 M HA -0.153 4.328 4.480 0.001 0.000 0.263 331 M C 2.163 178.216 176.300 -0.411 0.000 1.063 331 M CA 1.157 56.160 55.300 -0.495 0.000 1.090 331 M CB -0.783 31.128 32.600 -1.149 0.000 1.392 331 M HN 0.123 nan 8.290 nan 0.000 0.422 332 F N 1.914 121.629 119.950 -0.392 0.000 2.146 332 F HA -0.199 4.329 4.527 0.001 0.000 0.298 332 F C 2.386 178.155 175.800 -0.052 0.000 1.096 332 F CA 1.564 59.491 58.000 -0.121 0.000 1.275 332 F CB -0.240 38.753 39.000 -0.011 0.000 1.008 332 F HN 0.176 nan 8.300 nan 0.000 0.480 333 Q N 0.174 119.911 119.800 -0.105 0.000 2.172 333 Q HA -0.167 4.174 4.340 0.001 0.000 0.200 333 Q C 2.172 178.077 176.000 -0.158 0.000 0.964 333 Q CA 1.314 57.020 55.803 -0.162 0.000 0.855 333 Q CB -0.567 28.146 28.738 -0.041 0.000 0.918 333 Q HN 0.588 nan 8.270 nan 0.000 0.444 334 E N 0.112 120.237 120.200 -0.124 0.000 2.072 334 E HA -0.116 4.235 4.350 0.001 0.000 0.191 334 E C 1.714 178.260 176.600 -0.090 0.000 0.985 334 E CA 1.374 57.720 56.400 -0.091 0.000 0.801 334 E CB 0.273 29.925 29.700 -0.080 0.000 0.750 334 E HN 0.297 nan 8.360 nan 0.000 0.452 335 T N 1.243 115.734 114.554 -0.105 0.000 2.737 335 T HA -0.093 4.258 4.350 0.001 0.000 0.265 335 T C 1.938 176.547 174.700 -0.152 0.000 1.038 335 T CA 0.760 62.821 62.100 -0.064 0.000 1.144 335 T CB -0.167 68.719 68.868 0.030 0.000 0.866 335 T HN 0.099 nan 8.240 nan 0.000 0.434 336 L N 0.695 121.748 121.223 -0.284 0.000 2.131 336 L HA -0.096 4.245 4.340 0.001 0.000 0.210 336 L C 2.718 179.487 176.870 -0.169 0.000 1.092 336 L CA 1.328 56.004 54.840 -0.274 0.000 0.759 336 L CB -0.492 41.323 42.059 -0.408 0.000 0.903 336 L HN 0.321 nan 8.230 nan 0.000 0.435 337 E N 0.176 120.290 120.200 -0.143 0.000 2.051 337 E HA -0.229 4.122 4.350 0.001 0.000 0.192 337 E C 2.273 178.821 176.600 -0.086 0.000 0.991 337 E CA 1.207 57.551 56.400 -0.093 0.000 0.799 337 E CB -0.019 29.637 29.700 -0.073 0.000 0.748 337 E HN 0.476 nan 8.360 nan 0.000 0.449 338 A N 0.338 123.100 122.820 -0.096 0.000 1.929 338 A HA -0.143 4.178 4.320 0.001 0.000 0.216 338 A C 2.111 179.591 177.584 -0.173 0.000 1.176 338 A CA 1.162 53.140 52.037 -0.100 0.000 0.628 338 A CB -0.381 18.575 19.000 -0.073 0.000 0.816 338 A HN 0.242 nan 8.150 nan 0.000 0.444 339 M N -1.037 118.413 119.600 -0.251 0.000 2.117 339 M HA -0.135 4.345 4.480 0.001 0.000 0.262 339 M C 2.327 178.498 176.300 -0.215 0.000 1.065 339 M CA 1.913 56.915 55.300 -0.496 0.000 1.114 339 M CB -0.445 31.884 32.600 -0.451 0.000 1.361 339 M HN 0.453 nan 8.290 nan 0.000 0.408 340 T N 0.999 115.496 114.554 -0.095 0.000 2.607 340 T HA -0.172 4.179 4.350 0.001 0.000 0.267 340 T C 1.647 176.352 174.700 0.008 0.000 1.049 340 T CA 1.657 63.752 62.100 -0.009 0.000 1.162 340 T CB -0.362 68.490 68.868 -0.027 0.000 0.863 340 T HN 0.318 nan 8.240 nan 0.000 0.424 341 I N 0.535 121.089 120.570 -0.025 0.000 2.264 341 I HA -0.201 3.970 4.170 0.001 0.000 0.248 341 I C 2.462 178.582 176.117 0.005 0.000 1.111 341 I CA 1.192 62.484 61.300 -0.014 0.000 1.382 341 I CB -0.386 37.596 38.000 -0.029 0.000 1.060 341 I HN 0.270 nan 8.210 nan 0.000 0.418 342 M N 0.721 120.316 119.600 -0.009 0.000 2.446 342 M HA -0.048 4.433 4.480 0.001 0.000 0.263 342 M C 1.378 177.791 176.300 0.188 0.000 1.066 342 M CA 1.437 56.768 55.300 0.052 0.000 1.087 342 M CB -0.633 31.939 32.600 -0.047 0.000 1.406 342 M HN 0.369 nan 8.290 nan 0.000 0.459 343 G N -1.671 107.249 108.800 0.200 0.000 2.154 343 G HA2 -0.194 3.767 3.960 0.001 0.000 0.186 343 G HA3 -0.194 3.767 3.960 0.001 0.000 0.186 343 G C -0.214 174.853 174.900 0.277 0.000 1.000 343 G CA -0.354 44.857 45.100 0.186 0.000 0.664 343 G HN 0.303 nan 8.290 nan 0.000 0.513 344 F N 2.716 122.669 119.950 0.005 0.000 2.495 344 F HA 0.506 5.034 4.527 0.002 0.000 0.365 344 F C 1.602 177.416 175.800 0.024 0.000 1.090 344 F CA -0.154 57.867 58.000 0.035 0.000 1.235 344 F CB 0.806 39.837 39.000 0.051 0.000 1.119 344 F HN 0.205 nan 8.300 nan 0.000 0.562 345 T N -0.098 114.548 114.554 0.153 0.000 2.899 345 T HA 0.125 4.476 4.350 0.001 0.000 0.295 345 T C 1.152 175.904 174.700 0.087 0.000 1.033 345 T CA -0.768 61.385 62.100 0.089 0.000 1.084 345 T CB 1.007 69.904 68.868 0.048 0.000 0.979 345 T HN 0.538 nan 8.240 nan 0.000 0.532 346 E N 1.069 121.301 120.200 0.053 0.000 2.130 346 E HA -0.194 4.157 4.350 0.001 0.000 0.196 346 E C 2.188 178.799 176.600 0.018 0.000 0.998 346 E CA 1.770 58.191 56.400 0.036 0.000 0.806 346 E CB -0.111 29.602 29.700 0.022 0.000 0.738 346 E HN 0.958 nan 8.360 nan 0.000 0.459 347 E N 0.641 120.845 120.200 0.007 0.000 2.208 347 E HA -0.147 4.204 4.350 0.001 0.000 0.193 347 E C 1.633 178.188 176.600 -0.075 0.000 0.988 347 E CA 0.721 57.105 56.400 -0.028 0.000 0.828 347 E CB -0.240 29.451 29.700 -0.016 0.000 0.763 347 E HN 0.322 nan 8.360 nan 0.000 0.478 348 E N 0.924 121.112 120.200 -0.020 0.000 2.072 348 E HA -0.152 4.199 4.350 0.001 0.000 0.191 348 E C 2.304 178.854 176.600 -0.083 0.000 0.985 348 E CA 1.184 57.559 56.400 -0.041 0.000 0.801 348 E CB 0.035 29.791 29.700 0.093 0.000 0.750 348 E HN 0.401 nan 8.360 nan 0.000 0.452 349 Q N -0.217 119.615 119.800 0.053 0.000 2.079 349 Q HA -0.128 4.213 4.340 0.001 0.000 0.200 349 Q C 2.435 178.417 176.000 -0.030 0.000 0.974 349 Q CA 1.862 57.704 55.803 0.065 0.000 0.840 349 Q CB -0.246 28.539 28.738 0.079 0.000 0.898 349 Q HN 0.354 nan 8.270 nan 0.000 0.430 350 T N -2.044 112.474 114.554 -0.059 0.000 2.951 350 T HA -0.002 4.349 4.350 0.001 0.000 0.268 350 T C 2.048 176.642 174.700 -0.177 0.000 1.073 350 T CA 1.218 63.280 62.100 -0.062 0.000 1.134 350 T CB -0.076 68.771 68.868 -0.035 0.000 0.884 350 T HN 0.009 nan 8.240 nan 0.000 0.479 351 S N 1.181 116.669 115.700 -0.355 0.000 2.387 351 S HA 0.165 4.636 4.470 0.001 0.000 0.226 351 S C 1.883 175.974 174.600 -0.848 0.000 1.026 351 S CA 0.843 58.651 58.200 -0.654 0.000 0.972 351 S CB -0.396 62.206 63.200 -0.996 0.000 0.814 351 S HN 0.484 nan 8.310 nan 0.000 0.477 352 I N 1.558 121.680 120.570 -0.748 0.000 2.163 352 I HA -0.156 4.015 4.170 0.001 0.000 0.240 352 I C 1.958 178.004 176.117 -0.120 0.000 1.081 352 I CA 1.088 62.114 61.300 -0.457 0.000 1.353 352 I CB -0.342 37.541 38.000 -0.195 0.000 1.054 352 I HN 0.220 nan 8.210 nan 0.000 0.407 353 L N 0.222 121.433 121.223 -0.020 0.000 2.131 353 L HA -0.210 4.131 4.340 0.001 0.000 0.210 353 L C 2.688 179.572 176.870 0.023 0.000 1.092 353 L CA 1.202 56.088 54.840 0.078 0.000 0.759 353 L CB -0.681 41.465 42.059 0.146 0.000 0.903 353 L HN 0.275 nan 8.230 nan 0.000 0.435 354 R N 0.224 120.697 120.500 -0.046 0.000 2.075 354 R HA -0.111 4.230 4.340 0.001 0.000 0.232 354 R C 2.164 178.473 176.300 0.015 0.000 1.126 354 R CA 1.168 57.254 56.100 -0.023 0.000 0.963 354 R CB -0.197 30.063 30.300 -0.066 0.000 0.858 354 R HN 0.088 nan 8.270 nan 0.000 0.435 355 V N 0.138 120.050 119.914 -0.004 0.000 2.427 355 V HA -0.185 3.936 4.120 0.001 0.000 0.248 355 V C 2.245 178.435 176.094 0.160 0.000 1.051 355 V CA 1.443 63.797 62.300 0.090 0.000 1.048 355 V CB -0.013 31.871 31.823 0.103 0.000 0.666 355 V HN 0.213 nan 8.190 nan 0.000 0.456 356 V N -0.465 119.529 119.914 0.133 0.000 2.343 356 V HA -0.260 3.861 4.120 0.001 0.000 0.247 356 V C 2.663 178.895 176.094 0.230 0.000 1.051 356 V CA 2.395 64.796 62.300 0.169 0.000 1.036 356 V CB -0.596 31.221 31.823 -0.010 0.000 0.654 356 V HN 0.630 nan 8.190 nan 0.000 0.451 357 S N 0.428 116.198 115.700 0.117 0.000 2.368 357 S HA -0.211 4.260 4.470 0.001 0.000 0.225 357 S C 2.348 177.005 174.600 0.096 0.000 1.030 357 S CA 2.159 60.402 58.200 0.073 0.000 0.999 357 S CB -0.419 62.811 63.200 0.049 0.000 0.844 357 S HN 0.826 nan 8.310 nan 0.000 0.459 358 S N 0.768 116.538 115.700 0.116 0.000 2.382 358 S HA -0.066 4.405 4.470 0.001 0.000 0.228 358 S C 1.829 176.516 174.600 0.145 0.000 1.027 358 S CA 1.395 59.658 58.200 0.105 0.000 0.991 358 S CB -0.954 62.306 63.200 0.101 0.000 0.823 358 S HN 0.362 nan 8.310 nan 0.000 0.469 359 V N 1.810 121.871 119.914 0.246 0.000 2.490 359 V HA -0.086 4.034 4.120 0.001 0.000 0.250 359 V C 2.508 178.747 176.094 0.242 0.000 1.061 359 V CA 1.686 64.184 62.300 0.329 0.000 1.064 359 V CB -0.807 31.326 31.823 0.517 0.000 0.670 359 V HN 0.464 nan 8.190 nan 0.000 0.461 360 L N -0.925 120.367 121.223 0.115 0.000 2.095 360 L HA -0.130 4.211 4.340 0.001 0.000 0.204 360 L C 2.578 179.399 176.870 -0.082 0.000 1.080 360 L CA 1.132 55.896 54.840 -0.126 0.000 0.759 360 L CB -0.419 41.304 42.059 -0.560 0.000 0.914 360 L HN 0.275 nan 8.230 nan 0.000 0.439 361 Q N 0.215 120.032 119.800 0.029 0.000 2.170 361 Q HA -0.150 4.191 4.340 0.001 0.000 0.203 361 Q C 2.166 178.107 176.000 -0.098 0.000 0.976 361 Q CA 1.393 57.218 55.803 0.037 0.000 0.858 361 Q CB -0.206 28.561 28.738 0.048 0.000 0.907 361 Q HN 0.424 nan 8.270 nan 0.000 0.433 362 L N -1.088 120.076 121.223 -0.099 0.000 2.042 362 L HA -0.170 4.171 4.340 0.001 0.000 0.210 362 L C 2.147 178.791 176.870 -0.377 0.000 1.076 362 L CA 1.296 56.079 54.840 -0.094 0.000 0.749 362 L CB -0.878 41.235 42.059 0.090 0.000 0.893 362 L HN 0.427 nan 8.230 nan 0.000 0.432 363 G N -0.491 107.732 108.800 -0.961 0.000 2.462 363 G HA2 -0.264 3.697 3.960 0.001 0.000 0.220 363 G HA3 -0.264 3.697 3.960 0.001 0.000 0.220 363 G C 1.293 175.803 174.900 -0.651 0.000 1.121 363 G CA 0.666 44.766 45.100 -1.667 0.000 0.758 363 G HN 0.345 nan 8.290 nan 0.000 0.559 364 N N 0.185 118.660 118.700 -0.374 0.000 2.457 364 N HA 0.077 4.818 4.740 0.001 0.000 0.180 364 N C 0.949 176.329 175.510 -0.217 0.000 1.050 364 N CA -0.089 52.824 53.050 -0.228 0.000 0.906 364 N CB 0.038 38.429 38.487 -0.160 0.000 0.968 364 N HN 0.315 nan 8.380 nan 0.000 0.445 365 I N 1.035 121.464 120.570 -0.234 0.000 2.815 365 I HA -0.084 4.087 4.170 0.001 0.000 0.291 365 I C -0.105 175.760 176.117 -0.419 0.000 1.209 365 I CA 0.249 61.372 61.300 -0.296 0.000 1.431 365 I CB 0.472 38.306 38.000 -0.276 0.000 1.351 365 I HN -0.272 nan 8.210 nan 0.000 0.585 366 V N 6.784 126.402 119.914 -0.493 0.000 2.638 366 V HA 0.434 4.555 4.120 0.001 0.000 0.306 366 V C -0.593 175.213 176.094 -0.481 0.000 1.052 366 V CA -0.658 61.396 62.300 -0.409 0.000 0.885 366 V CB 1.677 33.390 31.823 -0.182 0.000 0.999 366 V HN 0.336 nan 8.190 nan 0.000 0.424 367 F N 2.116 122.074 119.950 0.014 0.000 2.492 367 F HA 0.855 5.383 4.527 0.002 0.000 0.327 367 F C 0.463 176.270 175.800 0.011 0.000 1.079 367 F CA -0.646 57.361 58.000 0.011 0.000 0.967 367 F CB 1.705 40.713 39.000 0.015 0.000 1.169 367 F HN 0.541 nan 8.300 nan 0.000 0.472 368 K N 0.646 121.173 120.400 0.210 0.000 2.328 368 K HA 0.901 5.222 4.320 0.001 0.000 0.246 368 K C -0.221 176.434 176.600 0.090 0.000 0.955 368 K CA -0.484 55.871 56.287 0.114 0.000 0.817 368 K CB 0.827 33.370 32.500 0.071 0.000 1.208 368 K HN 0.870 nan 8.250 nan 0.000 0.432 369 K N -0.167 120.269 120.400 0.061 0.000 2.583 369 K HA 0.903 5.224 4.320 0.001 0.000 0.266 369 K C 0.715 177.333 176.600 0.029 0.000 1.037 369 K CA 0.925 57.236 56.287 0.039 0.000 0.996 369 K CB -0.221 32.298 32.500 0.033 0.000 1.307 369 K HN 2.075 nan 8.250 nan 0.000 0.502 376 A N 0.276 123.075 122.820 -0.036 0.000 2.401 376 A HA 0.937 5.258 4.320 0.001 0.000 0.310 376 A C -0.519 177.083 177.584 0.031 0.000 1.075 376 A CA 0.012 52.047 52.037 -0.004 0.000 0.746 376 A CB 1.672 20.635 19.000 -0.062 0.000 1.277 376 A HN 1.923 nan 8.150 nan 0.000 0.425 377 S N 1.238 117.002 115.700 0.107 0.000 2.575 377 S HA 0.568 5.039 4.470 0.001 0.000 0.278 377 S C -0.440 174.271 174.600 0.185 0.000 1.139 377 S CA -0.661 57.617 58.200 0.130 0.000 0.954 377 S CB 1.227 64.468 63.200 0.068 0.000 1.054 377 S HN 0.980 nan 8.310 nan 0.000 0.483 378 M N 0.788 120.517 119.600 0.215 0.000 2.151 378 M HA 0.432 4.913 4.480 0.001 0.000 0.349 378 M C -2.349 173.977 176.300 0.044 0.000 1.284 378 M CA -1.679 53.683 55.300 0.102 0.000 1.173 378 M CB 0.195 32.804 32.600 0.016 0.000 1.469 378 M HN 0.215 nan 8.290 nan 0.000 0.439 379 P HA -0.090 nan 4.420 nan 0.000 0.216 379 P C -0.150 177.147 177.300 -0.004 0.000 1.153 379 P CA 1.234 64.341 63.100 0.012 0.000 0.848 379 P CB 0.105 31.810 31.700 0.007 0.000 0.787 380 D N -0.038 120.346 120.400 -0.025 0.000 2.373 380 D HA 0.028 4.669 4.640 0.001 0.000 0.227 380 D C 0.373 176.646 176.300 -0.045 0.000 1.091 380 D CA -0.251 53.727 54.000 -0.037 0.000 0.840 380 D CB 0.389 41.157 40.800 -0.052 0.000 1.060 380 D HN 0.011 nan 8.370 nan 0.000 0.502 381 N N 2.253 120.941 118.700 -0.019 0.000 2.299 381 N HA -0.087 4.654 4.740 0.001 0.000 0.187 381 N C 1.130 176.634 175.510 -0.010 0.000 1.099 381 N CA -0.074 52.976 53.050 0.000 0.000 0.867 381 N CB -0.104 38.403 38.487 0.034 0.000 0.974 381 N HN 0.175 nan 8.380 nan 0.000 0.477 382 T N 1.625 116.160 114.554 -0.031 0.000 2.564 382 T HA -0.275 4.076 4.350 0.001 0.000 0.264 382 T C 1.953 176.624 174.700 -0.048 0.000 1.100 382 T CA 2.927 65.002 62.100 -0.042 0.000 1.171 382 T CB -0.772 68.061 68.868 -0.059 0.000 0.863 382 T HN 0.538 nan 8.240 nan 0.000 0.430 383 A N 1.515 124.296 122.820 -0.064 0.000 1.873 383 A HA -0.006 4.315 4.320 0.001 0.000 0.218 383 A C 2.694 180.251 177.584 -0.045 0.000 1.193 383 A CA 2.515 54.511 52.037 -0.069 0.000 0.629 383 A CB -1.353 17.587 19.000 -0.100 0.000 0.826 383 A HN 0.621 nan 8.150 nan 0.000 0.447 384 A N -1.048 121.771 122.820 -0.002 0.000 1.986 384 A HA -0.247 4.074 4.320 0.001 0.000 0.220 384 A C 2.130 179.709 177.584 -0.008 0.000 1.171 384 A CA 1.794 53.879 52.037 0.080 0.000 0.640 384 A CB -0.537 18.597 19.000 0.224 0.000 0.811 384 A HN 0.717 nan 8.150 nan 0.000 0.451 385 Q N -0.332 119.467 119.800 -0.002 0.000 2.016 385 Q HA -0.148 4.193 4.340 0.001 0.000 0.200 385 Q C 2.064 178.056 176.000 -0.013 0.000 0.978 385 Q CA 1.448 57.249 55.803 -0.003 0.000 0.833 385 Q CB -0.248 28.488 28.738 -0.003 0.000 0.895 385 Q HN 0.644 nan 8.270 nan 0.000 0.427 386 K N 0.429 120.809 120.400 -0.033 0.000 2.032 386 K HA -0.137 4.184 4.320 0.001 0.000 0.209 386 K C 2.212 178.806 176.600 -0.009 0.000 1.048 386 K CA 1.326 57.598 56.287 -0.026 0.000 0.927 386 K CB -0.571 31.901 32.500 -0.047 0.000 0.712 386 K HN 0.046 nan 8.250 nan 0.000 0.441 387 V N 1.853 121.720 119.914 -0.078 0.000 2.252 387 V HA -0.338 3.783 4.120 0.001 0.000 0.249 387 V C 2.665 178.645 176.094 -0.190 0.000 1.056 387 V CA 1.917 64.131 62.300 -0.143 0.000 1.022 387 V CB -0.560 31.108 31.823 -0.260 0.000 0.641 387 V HN 0.414 nan 8.190 nan 0.000 0.445 388 C N -0.874 118.274 119.300 -0.252 0.000 2.425 388 C HA -0.162 4.299 4.460 0.001 0.000 0.277 388 C C 2.655 177.597 174.990 -0.079 0.000 1.280 388 C CA 1.016 59.904 59.018 -0.218 0.000 1.744 388 C CB -1.506 26.126 27.740 -0.180 0.000 1.989 388 C HN 0.710 nan 8.230 nan 0.000 0.491 389 H N 0.836 119.848 119.070 -0.097 0.000 2.353 389 H HA -0.058 4.499 4.556 0.002 0.000 0.300 389 H C 1.877 177.176 175.328 -0.049 0.000 1.090 389 H CA 1.474 57.487 56.048 -0.058 0.000 1.327 389 H CB -0.231 29.504 29.762 -0.045 0.000 1.383 389 H HN 0.430 nan 8.280 nan 0.000 0.508 390 L N -0.108 121.170 121.223 0.093 0.000 2.492 390 L HA -0.014 4.327 4.340 0.001 0.000 0.223 390 L C 2.255 179.119 176.870 -0.009 0.000 1.132 390 L CA 0.349 55.223 54.840 0.056 0.000 0.850 390 L CB -0.004 42.101 42.059 0.078 0.000 0.966 390 L HN 0.229 nan 8.230 nan 0.000 0.454 391 M N -1.216 118.354 119.600 -0.049 0.000 2.337 391 M HA 0.261 4.742 4.480 0.001 0.000 0.256 391 M C 1.047 177.313 176.300 -0.057 0.000 1.075 391 M CA 0.318 55.592 55.300 -0.042 0.000 1.024 391 M CB 0.834 33.382 32.600 -0.085 0.000 1.429 391 M HN 0.237 nan 8.290 nan 0.000 0.497 392 G N 2.440 111.185 108.800 -0.092 0.000 2.272 392 G HA2 -0.227 3.734 3.960 0.001 0.000 0.280 392 G HA3 -0.227 3.734 3.960 0.001 0.000 0.280 392 G C -0.496 174.363 174.900 -0.069 0.000 1.067 392 G CA -0.073 44.975 45.100 -0.086 0.000 0.902 392 G HN 0.337 nan 8.290 nan 0.000 0.500 393 I N -0.671 119.851 120.570 -0.081 0.000 2.957 393 I HA 0.534 4.705 4.170 0.001 0.000 0.310 393 I C 0.097 176.194 176.117 -0.033 0.000 1.063 393 I CA -2.142 59.122 61.300 -0.060 0.000 1.033 393 I CB 1.964 39.905 38.000 -0.098 0.000 1.230 393 I HN 0.102 nan 8.210 nan 0.000 0.447 394 N N 1.377 120.085 118.700 0.013 0.000 2.414 394 N HA 0.287 5.028 4.740 0.001 0.000 0.256 394 N C 0.948 176.512 175.510 0.090 0.000 1.029 394 N CA -0.133 52.939 53.050 0.037 0.000 0.948 394 N CB 1.236 39.745 38.487 0.038 0.000 1.102 394 N HN 0.388 nan 8.380 nan 0.000 0.496 395 V N 1.941 121.902 119.914 0.078 0.000 2.313 395 V HA -0.351 3.770 4.120 0.001 0.000 0.253 395 V C 2.106 178.304 176.094 0.172 0.000 1.070 395 V CA 2.563 64.942 62.300 0.132 0.000 1.057 395 V CB -1.006 30.869 31.823 0.086 0.000 0.653 395 V HN 0.877 nan 8.190 nan 0.000 0.450 396 T N -2.774 111.844 114.554 0.107 0.000 2.942 396 T HA -0.112 4.239 4.350 0.001 0.000 0.265 396 T C 1.471 176.218 174.700 0.078 0.000 1.062 396 T CA 1.192 63.341 62.100 0.083 0.000 1.139 396 T CB -0.332 68.567 68.868 0.051 0.000 0.883 396 T HN 0.415 nan 8.240 nan 0.000 0.468 397 D N 0.562 121.015 120.400 0.088 0.000 2.149 397 D HA 0.084 4.725 4.640 0.001 0.000 0.201 397 D C 1.476 177.836 176.300 0.099 0.000 0.972 397 D CA 0.404 54.446 54.000 0.070 0.000 0.835 397 D CB -0.434 40.403 40.800 0.061 0.000 0.966 397 D HN 0.384 nan 8.370 nan 0.000 0.476 398 F N 1.769 121.719 119.950 0.000 0.000 2.039 398 F HA -0.184 4.344 4.527 0.002 0.000 0.294 398 F C 2.245 178.064 175.800 0.033 0.000 1.130 398 F CA 1.541 59.544 58.000 0.006 0.000 1.189 398 F CB -0.816 38.189 39.000 0.008 0.000 0.983 398 F HN -0.152 nan 8.300 nan 0.000 0.471 399 T N 1.085 115.646 114.554 0.011 0.000 2.721 399 T HA -0.259 4.092 4.350 0.001 0.000 0.268 399 T C 2.153 176.789 174.700 -0.107 0.000 1.038 399 T CA 1.867 63.924 62.100 -0.071 0.000 1.145 399 T CB -0.396 68.518 68.868 0.077 0.000 0.858 399 T HN 0.266 nan 8.240 nan 0.000 0.459 400 R N 0.610 121.074 120.500 -0.061 0.000 2.062 400 R HA -0.018 4.323 4.340 0.001 0.000 0.231 400 R C 2.940 179.181 176.300 -0.097 0.000 1.136 400 R CA 1.501 57.566 56.100 -0.057 0.000 0.948 400 R CB -0.344 29.942 30.300 -0.023 0.000 0.845 400 R HN 0.301 nan 8.270 nan 0.000 0.430 401 S N 0.718 116.349 115.700 -0.115 0.000 2.419 401 S HA -0.090 4.381 4.470 0.001 0.000 0.233 401 S C 1.809 176.301 174.600 -0.180 0.000 1.016 401 S CA 0.744 58.872 58.200 -0.121 0.000 0.974 401 S CB -0.056 63.088 63.200 -0.093 0.000 0.786 401 S HN 0.203 nan 8.310 nan 0.000 0.492 402 I N 1.089 121.481 120.570 -0.296 0.000 2.339 402 I HA 0.077 4.248 4.170 0.001 0.000 0.245 402 I C 1.918 177.878 176.117 -0.261 0.000 1.096 402 I CA 1.141 62.254 61.300 -0.312 0.000 1.408 402 I CB -0.791 36.931 38.000 -0.465 0.000 1.092 402 I HN 0.279 nan 8.210 nan 0.000 0.423 403 L N 0.071 121.167 121.223 -0.212 0.000 2.395 403 L HA -0.040 4.301 4.340 0.001 0.000 0.218 403 L C 0.003 176.791 176.870 -0.137 0.000 1.130 403 L CA 0.805 55.532 54.840 -0.188 0.000 0.826 403 L CB -0.261 41.742 42.059 -0.093 0.000 0.941 403 L HN 0.332 nan 8.230 nan 0.000 0.451 404 T N -2.859 111.628 114.554 -0.112 0.000 3.706 404 T HA 0.293 4.644 4.350 0.001 0.000 0.292 404 T C -2.772 171.887 174.700 -0.067 0.000 0.693 404 T CA -1.179 60.873 62.100 -0.080 0.000 1.126 404 T CB 1.118 69.951 68.868 -0.058 0.000 1.043 404 T HN -0.234 nan 8.240 nan 0.000 0.501 417 A N 2.539 125.330 122.820 -0.047 0.000 2.388 417 A HA 0.693 5.014 4.320 0.001 0.000 0.257 417 A C -0.099 177.441 177.584 -0.073 0.000 1.095 417 A CA -0.243 51.760 52.037 -0.057 0.000 0.791 417 A CB 0.405 19.378 19.000 -0.045 0.000 1.029 417 A HN 0.641 nan 8.150 nan 0.000 0.489 418 Q N 0.907 120.648 119.800 -0.098 0.000 2.337 418 Q HA 0.485 4.826 4.340 0.001 0.000 0.266 418 Q C 0.154 176.075 176.000 -0.132 0.000 1.023 418 Q CA -0.386 55.341 55.803 -0.128 0.000 0.829 418 Q CB 1.787 30.413 28.738 -0.186 0.000 1.306 418 Q HN 0.899 nan 8.270 nan 0.000 0.449 419 T N -2.056 112.430 114.554 -0.112 0.000 2.912 419 T HA 0.295 4.646 4.350 0.001 0.000 0.280 419 T C 1.167 175.803 174.700 -0.106 0.000 0.989 419 T CA -0.603 61.447 62.100 -0.084 0.000 0.995 419 T CB 1.460 70.299 68.868 -0.048 0.000 1.077 419 T HN 0.522 nan 8.240 nan 0.000 0.531 420 K N 0.633 121.006 120.400 -0.045 0.000 2.000 420 K HA -0.234 4.087 4.320 0.001 0.000 0.218 420 K C 2.629 179.239 176.600 0.017 0.000 1.053 420 K CA 2.571 58.864 56.287 0.010 0.000 0.946 420 K CB -1.136 31.414 32.500 0.084 0.000 0.723 420 K HN 0.895 nan 8.250 nan 0.000 0.446 421 E N 1.375 121.594 120.200 0.031 0.000 2.108 421 E HA -0.298 4.053 4.350 0.001 0.000 0.203 421 E C 1.768 178.401 176.600 0.055 0.000 1.022 421 E CA 2.423 58.854 56.400 0.052 0.000 0.823 421 E CB -0.997 28.719 29.700 0.026 0.000 0.744 421 E HN 0.815 nan 8.360 nan 0.000 0.456 422 Q N -1.031 118.761 119.800 -0.014 0.000 2.398 422 Q HA 0.475 4.816 4.340 0.001 0.000 0.204 422 Q C 2.469 178.456 176.000 -0.023 0.000 0.932 422 Q CA 0.660 56.453 55.803 -0.016 0.000 0.916 422 Q CB 0.253 28.940 28.738 -0.084 0.000 1.024 422 Q HN 0.508 nan 8.270 nan 0.000 0.504 423 A N 1.960 124.666 122.820 -0.192 0.000 1.898 423 A HA -0.158 4.163 4.320 0.001 0.000 0.214 423 A C 1.631 179.124 177.584 -0.152 0.000 1.183 423 A CA 1.356 53.078 52.037 -0.526 0.000 0.622 423 A CB -0.230 17.942 19.000 -1.380 0.000 0.824 423 A HN 0.171 nan 8.150 nan 0.000 0.444 424 D N -0.697 119.775 120.400 0.121 0.000 2.104 424 D HA -0.162 4.479 4.640 0.001 0.000 0.194 424 D C 1.642 178.109 176.300 0.278 0.000 0.994 424 D CA 1.424 55.628 54.000 0.340 0.000 0.830 424 D CB -0.520 40.450 40.800 0.283 0.000 0.959 424 D HN 0.436 nan 8.370 nan 0.000 0.452 425 F N 1.936 121.943 119.950 0.096 0.000 2.025 425 F HA -0.297 4.231 4.527 0.001 0.000 0.297 425 F C 2.308 178.169 175.800 0.100 0.000 1.132 425 F CA 2.287 60.338 58.000 0.085 0.000 1.191 425 F CB -0.510 38.515 39.000 0.042 0.000 0.963 425 F HN -0.035 nan 8.300 nan 0.000 0.481 426 A N 0.916 123.917 122.820 0.302 0.000 1.903 426 A HA -0.249 4.072 4.320 0.001 0.000 0.219 426 A C 2.230 179.873 177.584 0.099 0.000 1.191 426 A CA 2.178 54.318 52.037 0.173 0.000 0.638 426 A CB -1.221 17.862 19.000 0.137 0.000 0.823 426 A HN 0.497 nan 8.150 nan 0.000 0.451 427 I N -0.275 120.406 120.570 0.184 0.000 2.179 427 I HA -0.217 3.954 4.170 0.001 0.000 0.242 427 I C 2.393 178.647 176.117 0.228 0.000 1.088 427 I CA 1.809 63.263 61.300 0.258 0.000 1.357 427 I CB -1.530 36.687 38.000 0.361 0.000 1.051 427 I HN 0.476 nan 8.210 nan 0.000 0.409 428 E N 0.603 120.903 120.200 0.167 0.000 2.038 428 E HA -0.218 4.133 4.350 0.001 0.000 0.195 428 E C 2.319 178.903 176.600 -0.027 0.000 1.000 428 E CA 1.667 58.133 56.400 0.109 0.000 0.803 428 E CB -0.211 29.473 29.700 -0.026 0.000 0.750 428 E HN 0.480 nan 8.360 nan 0.000 0.448 429 A N 0.751 123.438 122.820 -0.221 0.000 1.927 429 A HA -0.247 4.074 4.320 0.001 0.000 0.220 429 A C 2.167 179.777 177.584 0.043 0.000 1.185 429 A CA 1.548 53.459 52.037 -0.209 0.000 0.639 429 A CB -0.711 18.074 19.000 -0.359 0.000 0.820 429 A HN 0.270 nan 8.150 nan 0.000 0.451 430 L N -0.762 120.537 121.223 0.126 0.000 2.027 430 L HA -0.020 4.321 4.340 0.001 0.000 0.206 430 L C 2.837 179.892 176.870 0.307 0.000 1.074 430 L CA 1.910 56.904 54.840 0.256 0.000 0.745 430 L CB -0.676 41.528 42.059 0.242 0.000 0.898 430 L HN 0.387 nan 8.230 nan 0.000 0.433 431 A N -0.139 122.846 122.820 0.276 0.000 1.859 431 A HA -0.317 4.004 4.320 0.001 0.000 0.218 431 A C 2.282 180.013 177.584 0.245 0.000 1.209 431 A CA 2.499 54.724 52.037 0.313 0.000 0.639 431 A CB -0.721 18.520 19.000 0.401 0.000 0.835 431 A HN 0.488 nan 8.150 nan 0.000 0.450 432 K N -0.477 119.999 120.400 0.126 0.000 2.044 432 K HA -0.150 4.171 4.320 0.001 0.000 0.210 432 K C 2.316 179.014 176.600 0.163 0.000 1.049 432 K CA 1.337 57.689 56.287 0.109 0.000 0.927 432 K CB -0.439 32.073 32.500 0.019 0.000 0.713 432 K HN 0.478 nan 8.250 nan 0.000 0.443 433 A N 1.917 124.839 122.820 0.169 0.000 1.933 433 A HA -0.180 4.141 4.320 0.001 0.000 0.218 433 A C 2.063 179.678 177.584 0.052 0.000 1.175 433 A CA 1.376 53.496 52.037 0.139 0.000 0.628 433 A CB -0.272 18.899 19.000 0.286 0.000 0.814 433 A HN 0.126 nan 8.150 nan 0.000 0.444 434 K N -1.652 118.900 120.400 0.254 0.000 2.057 434 K HA -0.108 4.213 4.320 0.001 0.000 0.207 434 K C 1.771 178.455 176.600 0.139 0.000 1.049 434 K CA 1.380 57.810 56.287 0.240 0.000 0.931 434 K CB -0.339 32.429 32.500 0.447 0.000 0.714 434 K HN 0.523 nan 8.250 nan 0.000 0.440 435 F N 2.174 122.167 119.950 0.072 0.000 2.128 435 F HA -0.136 4.392 4.527 0.001 0.000 0.295 435 F C 2.467 178.244 175.800 -0.039 0.000 1.100 435 F CA 1.515 59.541 58.000 0.042 0.000 1.260 435 F CB -0.220 38.822 39.000 0.070 0.000 1.009 435 F HN 0.106 nan 8.300 nan 0.000 0.476 436 E N 0.227 120.462 120.200 0.059 0.000 2.147 436 E HA -0.280 4.071 4.350 0.001 0.000 0.199 436 E C 2.270 178.792 176.600 -0.130 0.000 1.005 436 E CA 1.602 57.971 56.400 -0.051 0.000 0.810 436 E CB -0.094 29.601 29.700 -0.009 0.000 0.736 436 E HN 0.452 nan 8.360 nan 0.000 0.460 437 R N -0.136 120.237 120.500 -0.210 0.000 2.093 437 R HA -0.076 4.264 4.340 0.001 0.000 0.224 437 R C 2.604 178.769 176.300 -0.225 0.000 1.101 437 R CA 0.850 56.783 56.100 -0.278 0.000 0.979 437 R CB -0.401 29.583 30.300 -0.526 0.000 0.877 437 R HN 0.208 nan 8.270 nan 0.000 0.441 438 L N 0.534 121.607 121.223 -0.250 0.000 2.131 438 L HA -0.121 4.220 4.340 0.001 0.000 0.210 438 L C 1.961 178.677 176.870 -0.257 0.000 1.092 438 L CA 1.530 56.231 54.840 -0.230 0.000 0.759 438 L CB -0.449 41.463 42.059 -0.244 0.000 0.903 438 L HN -0.003 nan 8.230 nan 0.000 0.435 439 F N 0.327 119.960 119.950 -0.528 0.000 2.060 439 F HA -0.139 4.389 4.527 0.001 0.000 0.295 439 F C 2.799 178.410 175.800 -0.314 0.000 1.120 439 F CA 1.873 59.568 58.000 -0.509 0.000 1.205 439 F CB -0.445 38.203 39.000 -0.586 0.000 0.986 439 F HN 0.018 nan 8.300 nan 0.000 0.470 440 R N -0.748 119.678 120.500 -0.123 0.000 2.154 440 R HA -0.283 4.058 4.340 0.001 0.000 0.248 440 R C 2.241 178.407 176.300 -0.223 0.000 1.155 440 R CA 2.210 58.207 56.100 -0.173 0.000 0.979 440 R CB -0.997 29.236 30.300 -0.112 0.000 0.869 440 R HN 0.585 nan 8.270 nan 0.000 0.452 441 W N 0.834 121.922 121.300 -0.353 0.000 2.413 441 W HA -0.094 4.567 4.660 0.001 0.000 0.315 441 W C 1.895 178.214 176.519 -0.333 0.000 1.186 441 W CA 1.401 58.539 57.345 -0.345 0.000 1.326 441 W CB -0.401 28.832 29.460 -0.377 0.000 1.153 441 W HN -0.047 nan 8.180 nan 0.000 0.489 442 I N 0.609 121.246 120.570 0.112 0.000 2.151 442 I HA -0.354 3.817 4.170 0.001 0.000 0.243 442 I C 2.432 178.357 176.117 -0.319 0.000 1.080 442 I CA 1.586 62.876 61.300 -0.016 0.000 1.339 442 I CB -1.042 36.771 38.000 -0.310 0.000 1.039 442 I HN 0.149 nan 8.210 nan 0.000 0.409 443 L N 0.535 121.455 121.223 -0.505 0.000 1.989 443 L HA -0.226 4.115 4.340 0.001 0.000 0.211 443 L C 2.501 179.140 176.870 -0.385 0.000 1.071 443 L CA 2.277 56.830 54.840 -0.478 0.000 0.749 443 L CB -1.113 40.616 42.059 -0.549 0.000 0.890 443 L HN 0.149 nan 8.230 nan 0.000 0.431 444 T N -0.469 113.823 114.554 -0.437 0.000 2.665 444 T HA -0.291 4.060 4.350 0.001 0.000 0.268 444 T C 2.010 176.399 174.700 -0.519 0.000 1.035 444 T CA 1.941 63.769 62.100 -0.454 0.000 1.151 444 T CB -0.344 68.212 68.868 -0.520 0.000 0.862 444 T HN 0.277 nan 8.240 nan 0.000 0.438 445 R N 0.920 120.970 120.500 -0.751 0.000 2.081 445 R HA -0.022 4.319 4.340 0.001 0.000 0.235 445 R C 2.205 178.279 176.300 -0.376 0.000 1.131 445 R CA 1.265 56.902 56.100 -0.772 0.000 0.960 445 R CB -1.100 28.427 30.300 -1.289 0.000 0.856 445 R HN 0.285 nan 8.270 nan 0.000 0.436 446 V N 1.441 121.232 119.914 -0.205 0.000 2.407 446 V HA -0.231 3.889 4.120 0.001 0.000 0.248 446 V C 1.808 177.827 176.094 -0.125 0.000 1.055 446 V CA 2.066 64.331 62.300 -0.058 0.000 1.049 446 V CB -0.624 31.159 31.823 -0.067 0.000 0.662 446 V HN 0.409 nan 8.190 nan 0.000 0.455 447 N N -0.126 118.461 118.700 -0.188 0.000 2.309 447 N HA -0.124 4.616 4.740 0.001 0.000 0.182 447 N C 1.848 177.260 175.510 -0.165 0.000 1.018 447 N CA 1.074 54.021 53.050 -0.171 0.000 0.876 447 N CB -0.143 38.230 38.487 -0.189 0.000 0.972 447 N HN 0.481 nan 8.380 nan 0.000 0.434 448 K N 0.612 120.892 120.400 -0.201 0.000 2.025 448 K HA 0.076 4.397 4.320 0.001 0.000 0.207 448 K C 1.918 178.436 176.600 -0.137 0.000 1.049 448 K CA 1.114 57.291 56.287 -0.183 0.000 0.933 448 K CB -0.052 32.305 32.500 -0.237 0.000 0.714 448 K HN 0.076 nan 8.250 nan 0.000 0.438 449 A N 0.510 123.257 122.820 -0.123 0.000 2.015 449 A HA -0.065 4.256 4.320 0.001 0.000 0.219 449 A C 1.878 179.422 177.584 -0.067 0.000 1.163 449 A CA 1.087 53.080 52.037 -0.074 0.000 0.646 449 A CB -0.341 18.647 19.000 -0.020 0.000 0.806 449 A HN 0.212 nan 8.150 nan 0.000 0.448 450 L N -0.981 120.193 121.223 -0.081 0.000 2.446 450 L HA 0.097 4.437 4.340 0.001 0.000 0.219 450 L C 0.307 177.121 176.870 -0.093 0.000 1.116 450 L CA 0.207 54.996 54.840 -0.085 0.000 0.844 450 L CB -0.038 41.966 42.059 -0.092 0.000 0.970 450 L HN 0.301 nan 8.230 nan 0.000 0.457 459 S N 0.019 115.839 115.700 0.201 0.000 2.546 459 S HA 0.765 5.236 4.470 0.001 0.000 0.274 459 S C -0.846 173.988 174.600 0.390 0.000 1.121 459 S CA -0.200 58.113 58.200 0.189 0.000 0.887 459 S CB 1.735 64.965 63.200 0.050 0.000 1.094 459 S HN 1.686 nan 8.310 nan 0.000 0.474 460 F N 0.564 120.648 119.950 0.223 0.000 2.577 460 F HA 0.819 5.347 4.527 0.002 0.000 0.318 460 F C -1.464 174.489 175.800 0.255 0.000 1.065 460 F CA -1.487 56.681 58.000 0.280 0.000 0.929 460 F CB 1.251 40.346 39.000 0.158 0.000 1.237 460 F HN 0.621 nan 8.300 nan 0.000 0.468 461 L N 3.881 125.441 121.223 0.562 0.000 2.366 461 L HA 0.642 4.983 4.340 0.001 0.000 0.266 461 L C 0.170 177.276 176.870 0.393 0.000 1.010 461 L CA -0.505 54.525 54.840 0.316 0.000 0.879 461 L CB 0.514 42.794 42.059 0.368 0.000 1.228 461 L HN 1.064 nan 8.230 nan 0.000 0.439 462 G N 5.056 114.173 108.800 0.528 0.000 2.483 462 G HA2 0.487 4.448 3.960 0.001 0.000 0.248 462 G HA3 0.487 4.448 3.960 0.001 0.000 0.248 462 G C -0.536 174.476 174.900 0.187 0.000 1.248 462 G CA -0.323 44.938 45.100 0.267 0.000 0.838 462 G HN 0.554 nan 8.290 nan 0.000 0.566 463 I N 1.098 121.649 120.570 -0.031 0.000 2.534 463 I HA 0.250 4.420 4.170 0.001 0.000 0.288 463 I C -1.102 175.154 176.117 0.232 0.000 1.077 463 I CA -0.720 60.647 61.300 0.112 0.000 1.051 463 I CB 2.211 40.240 38.000 0.047 0.000 1.234 463 I HN 0.255 nan 8.210 nan 0.000 0.425 464 L N 6.003 127.404 121.223 0.298 0.000 2.318 464 L HA 0.456 4.797 4.340 0.001 0.000 0.277 464 L C -0.691 176.275 176.870 0.159 0.000 1.008 464 L CA 0.051 55.082 54.840 0.319 0.000 0.846 464 L CB 1.037 43.247 42.059 0.251 0.000 1.220 464 L HN 0.497 nan 8.230 nan 0.000 0.423 465 D N 5.681 126.173 120.400 0.153 0.000 2.485 465 D HA 0.248 4.889 4.640 0.001 0.000 0.256 465 D C 0.079 176.413 176.300 0.057 0.000 1.141 465 D CA -0.440 53.607 54.000 0.079 0.000 0.942 465 D CB 0.117 40.951 40.800 0.056 0.000 1.003 465 D HN 0.461 nan 8.370 nan 0.000 0.507 466 I N -0.606 119.992 120.570 0.046 0.000 3.211 466 I HA 0.598 4.769 4.170 0.001 0.000 0.297 466 I C 0.468 176.580 176.117 -0.009 0.000 1.095 466 I CA -1.188 60.129 61.300 0.028 0.000 1.239 466 I CB 0.778 38.780 38.000 0.003 0.000 1.455 466 I HN 0.212 nan 8.210 nan 0.000 0.630 467 A N 2.405 125.216 122.820 -0.016 0.000 2.409 467 A HA 0.577 4.898 4.320 0.001 0.000 0.267 467 A C 0.479 178.057 177.584 -0.010 0.000 1.127 467 A CA -0.037 51.978 52.037 -0.037 0.000 0.795 467 A CB -0.452 18.525 19.000 -0.037 0.000 1.061 467 A HN 1.035 nan 8.150 nan 0.000 0.502 468 G N 0.807 109.605 108.800 -0.004 0.000 2.467 468 G HA2 0.415 4.376 3.960 0.001 0.000 0.257 468 G HA3 0.415 4.376 3.960 0.001 0.000 0.257 468 G C -0.130 174.788 174.900 0.031 0.000 1.227 468 G CA -0.517 44.606 45.100 0.038 0.000 0.835 468 G HN 0.685 nan 8.290 nan 0.000 0.556 469 F N 1.654 121.565 119.950 -0.065 0.000 2.623 469 F HA 0.134 4.661 4.527 0.001 0.000 0.386 469 F C 1.016 176.696 175.800 -0.201 0.000 1.068 469 F CA 0.573 58.501 58.000 -0.119 0.000 1.265 469 F CB 0.517 39.454 39.000 -0.106 0.000 1.026 469 F HN 0.600 nan 8.300 nan 0.000 0.568 470 E N 6.419 126.162 120.200 -0.761 0.000 2.356 470 E HA 0.517 4.868 4.350 0.001 0.000 0.275 470 E C -1.571 174.469 176.600 -0.935 0.000 0.904 470 E CA -0.897 55.032 56.400 -0.785 0.000 0.757 470 E CB 1.977 31.102 29.700 -0.957 0.000 1.232 470 E HN 0.587 nan 8.360 nan 0.000 0.442 471 I N 3.116 123.255 120.570 -0.717 0.000 2.563 471 I HA 0.284 4.455 4.170 0.001 0.000 0.276 471 I C -0.988 174.923 176.117 -0.342 0.000 1.074 471 I CA -0.640 60.364 61.300 -0.493 0.000 1.124 471 I CB 0.184 38.010 38.000 -0.291 0.000 1.225 471 I HN 0.407 nan 8.210 nan 0.000 0.482 472 F N 3.026 122.879 119.950 -0.163 0.000 2.368 472 F HA 0.257 4.785 4.527 0.001 0.000 0.308 472 F C 1.957 177.694 175.800 -0.105 0.000 1.198 472 F CA -0.423 57.505 58.000 -0.119 0.000 1.130 472 F CB 0.515 39.457 39.000 -0.097 0.000 1.300 472 F HN 0.394 nan 8.300 nan 0.000 0.537 473 E N 0.032 120.317 120.200 0.143 0.000 2.097 473 E HA -0.152 4.199 4.350 0.001 0.000 0.196 473 E C 0.002 176.620 176.600 0.029 0.000 1.000 473 E CA 1.205 57.630 56.400 0.041 0.000 0.804 473 E CB 0.098 29.807 29.700 0.014 0.000 0.740 473 E HN 0.097 nan 8.360 nan 0.000 0.454 474 I N 2.119 122.725 120.570 0.060 0.000 2.411 474 I HA 0.180 4.351 4.170 0.001 0.000 0.284 474 I C -0.693 175.496 176.117 0.120 0.000 1.012 474 I CA -0.482 60.853 61.300 0.059 0.000 1.119 474 I CB 1.308 39.335 38.000 0.045 0.000 1.261 474 I HN -0.121 nan 8.210 nan 0.000 0.448 475 N N 4.304 123.068 118.700 0.108 0.000 2.457 475 N HA 0.269 5.010 4.740 0.001 0.000 0.250 475 N C -0.045 175.696 175.510 0.385 0.000 0.982 475 N CA -0.064 53.103 53.050 0.196 0.000 0.941 475 N CB 2.407 40.904 38.487 0.018 0.000 1.120 475 N HN 0.456 nan 8.380 nan 0.000 0.505 476 S N 0.821 116.740 115.700 0.365 0.000 2.647 476 S HA 0.292 4.763 4.470 0.001 0.000 0.284 476 S C 1.169 175.950 174.600 0.302 0.000 1.134 476 S CA -0.561 57.924 58.200 0.475 0.000 1.027 476 S CB 0.397 63.770 63.200 0.288 0.000 1.180 476 S HN 0.465 nan 8.310 nan 0.000 0.521 477 F N 1.722 121.445 119.950 -0.379 0.000 2.202 477 F HA -0.080 4.448 4.527 0.002 0.000 0.301 477 F C 1.876 177.369 175.800 -0.511 0.000 1.082 477 F CA 2.065 59.379 58.000 -1.144 0.000 1.313 477 F CB -0.443 37.647 39.000 -1.517 0.000 1.024 477 F HN 0.598 nan 8.300 nan 0.000 0.495 478 E N 0.094 120.119 120.200 -0.292 0.000 2.051 478 E HA -0.240 4.111 4.350 0.001 0.000 0.192 478 E C 2.118 178.570 176.600 -0.247 0.000 0.991 478 E CA 1.626 57.863 56.400 -0.272 0.000 0.799 478 E CB -0.428 29.225 29.700 -0.080 0.000 0.748 478 E HN 0.373 nan 8.360 nan 0.000 0.449 479 Q N 0.034 119.784 119.800 -0.084 0.000 2.124 479 Q HA -0.108 4.233 4.340 0.001 0.000 0.202 479 Q C 2.126 178.096 176.000 -0.051 0.000 0.977 479 Q CA 0.828 56.616 55.803 -0.025 0.000 0.850 479 Q CB -0.354 28.461 28.738 0.129 0.000 0.901 479 Q HN 0.256 nan 8.270 nan 0.000 0.429 480 L N -0.432 120.666 121.223 -0.209 0.000 1.989 480 L HA -0.225 4.116 4.340 0.001 0.000 0.211 480 L C 1.956 178.696 176.870 -0.216 0.000 1.071 480 L CA 1.821 56.415 54.840 -0.411 0.000 0.749 480 L CB -0.687 40.979 42.059 -0.655 0.000 0.890 480 L HN 0.293 nan 8.230 nan 0.000 0.431 481 C N -0.421 118.631 119.300 -0.413 0.000 2.432 481 C HA -0.153 4.308 4.460 0.001 0.000 0.277 481 C C 2.688 177.612 174.990 -0.110 0.000 1.249 481 C CA 0.946 59.814 59.018 -0.250 0.000 1.725 481 C CB -0.966 26.402 27.740 -0.619 0.000 2.028 481 C HN 0.603 nan 8.230 nan 0.000 0.477 482 I N 1.516 121.975 120.570 -0.184 0.000 2.127 482 I HA -0.237 3.934 4.170 0.001 0.000 0.241 482 I C 2.203 178.295 176.117 -0.042 0.000 1.075 482 I CA 1.625 62.854 61.300 -0.118 0.000 1.334 482 I CB -0.521 37.398 38.000 -0.135 0.000 1.040 482 I HN 0.424 nan 8.210 nan 0.000 0.405 483 N N 0.078 118.726 118.700 -0.086 0.000 2.223 483 N HA -0.241 4.500 4.740 0.001 0.000 0.185 483 N C 1.767 177.357 175.510 0.133 0.000 1.016 483 N CA 1.237 54.257 53.050 -0.050 0.000 0.863 483 N CB -0.561 37.633 38.487 -0.488 0.000 0.983 483 N HN 0.443 nan 8.380 nan 0.000 0.429 484 Y N 2.175 122.501 120.300 0.043 0.000 2.181 484 Y HA -0.109 4.442 4.550 0.001 0.000 0.288 484 Y C 2.057 178.049 175.900 0.154 0.000 1.146 484 Y CA 1.393 59.596 58.100 0.172 0.000 1.164 484 Y CB -0.875 37.677 38.460 0.154 0.000 0.982 484 Y HN -0.059 nan 8.280 nan 0.000 0.515 485 T N 1.287 115.741 114.554 -0.167 0.000 2.821 485 T HA -0.158 4.193 4.350 0.001 0.000 0.267 485 T C 1.748 176.386 174.700 -0.103 0.000 1.046 485 T CA 1.413 63.348 62.100 -0.276 0.000 1.139 485 T CB -0.277 68.528 68.868 -0.104 0.000 0.871 485 T HN 0.464 nan 8.240 nan 0.000 0.454 486 N N 0.780 119.513 118.700 0.056 0.000 2.188 486 N HA -0.094 4.646 4.740 0.001 0.000 0.184 486 N C 2.011 177.525 175.510 0.007 0.000 1.018 486 N CA 1.040 54.169 53.050 0.131 0.000 0.858 486 N CB -0.112 38.597 38.487 0.370 0.000 0.989 486 N HN 0.472 nan 8.380 nan 0.000 0.426 487 E N 1.376 121.652 120.200 0.127 0.000 2.077 487 E HA -0.072 4.279 4.350 0.001 0.000 0.193 487 E C 1.827 178.367 176.600 -0.099 0.000 0.989 487 E CA 1.070 57.453 56.400 -0.027 0.000 0.800 487 E CB 0.176 30.102 29.700 0.377 0.000 0.746 487 E HN 0.148 nan 8.360 nan 0.000 0.452 488 K N -0.185 120.183 120.400 -0.054 0.000 2.097 488 K HA -0.156 4.165 4.320 0.001 0.000 0.206 488 K C 2.050 178.593 176.600 -0.095 0.000 1.049 488 K CA 0.921 57.155 56.287 -0.089 0.000 0.933 488 K CB -0.157 32.201 32.500 -0.237 0.000 0.717 488 K HN 0.159 nan 8.250 nan 0.000 0.442 489 L N 1.418 122.577 121.223 -0.106 0.000 2.072 489 L HA -0.162 4.178 4.340 0.001 0.000 0.205 489 L C 2.418 179.277 176.870 -0.018 0.000 1.079 489 L CA 1.703 56.521 54.840 -0.036 0.000 0.752 489 L CB -0.589 41.455 42.059 -0.024 0.000 0.906 489 L HN 0.090 nan 8.230 nan 0.000 0.436 490 Q N -0.600 119.077 119.800 -0.204 0.000 2.096 490 Q HA -0.279 4.062 4.340 0.001 0.000 0.204 490 Q C 2.236 178.177 176.000 -0.099 0.000 0.982 490 Q CA 2.098 57.732 55.803 -0.282 0.000 0.850 490 Q CB -0.400 27.880 28.738 -0.763 0.000 0.901 490 Q HN 0.557 nan 8.270 nan 0.000 0.422 491 Q N -0.134 119.612 119.800 -0.091 0.000 2.061 491 Q HA -0.145 4.196 4.340 0.001 0.000 0.204 491 Q C 1.942 177.972 176.000 0.051 0.000 0.984 491 Q CA 1.811 57.620 55.803 0.009 0.000 0.846 491 Q CB -0.749 27.999 28.738 0.016 0.000 0.902 491 Q HN 0.499 nan 8.270 nan 0.000 0.421 492 L N -0.092 121.166 121.223 0.058 0.000 2.081 492 L HA -0.132 4.209 4.340 0.001 0.000 0.212 492 L C 2.089 179.021 176.870 0.103 0.000 1.080 492 L CA 1.936 56.849 54.840 0.121 0.000 0.754 492 L CB -0.730 41.432 42.059 0.173 0.000 0.893 492 L HN 0.419 nan 8.230 nan 0.000 0.433 493 F N 0.453 120.270 119.950 -0.221 0.000 2.031 493 F HA -0.249 4.279 4.527 0.001 0.000 0.295 493 F C 2.292 177.719 175.800 -0.621 0.000 1.133 493 F CA 2.000 59.487 58.000 -0.855 0.000 1.188 493 F CB -0.631 37.791 39.000 -0.963 0.000 0.974 493 F HN 0.191 nan 8.300 nan 0.000 0.473 494 N N 0.032 118.606 118.700 -0.209 0.000 2.049 494 N HA -0.325 4.416 4.740 0.001 0.000 0.198 494 N C 1.816 177.202 175.510 -0.206 0.000 1.030 494 N CA 2.068 55.030 53.050 -0.147 0.000 0.870 494 N CB -1.211 37.417 38.487 0.235 0.000 1.045 494 N HN 0.563 nan 8.380 nan 0.000 0.434 495 H N 0.238 119.220 119.070 -0.147 0.000 2.267 495 H HA -0.067 4.490 4.556 0.002 0.000 0.297 495 H C 1.773 176.985 175.328 -0.194 0.000 1.080 495 H CA 2.601 58.598 56.048 -0.085 0.000 1.278 495 H CB -0.530 29.213 29.762 -0.032 0.000 1.365 495 H HN 0.139 nan 8.280 nan 0.000 0.489 496 T N 1.041 115.461 114.554 -0.223 0.000 2.595 496 T HA -0.209 4.142 4.350 0.001 0.000 0.264 496 T C 2.149 176.514 174.700 -0.557 0.000 1.058 496 T CA 1.665 63.582 62.100 -0.305 0.000 1.166 496 T CB -0.294 68.482 68.868 -0.153 0.000 0.863 496 T HN 0.205 nan 8.240 nan 0.000 0.415 497 M N 0.360 119.370 119.600 -0.985 0.000 2.089 497 M HA -0.061 4.420 4.480 0.001 0.000 0.257 497 M C 1.911 177.618 176.300 -0.989 0.000 1.071 497 M CA 1.827 56.359 55.300 -1.279 0.000 1.096 497 M CB -1.209 29.947 32.600 -2.408 0.000 1.330 497 M HN 0.307 nan 8.290 nan 0.000 0.403 498 F N -2.088 117.586 119.950 -0.462 0.000 2.514 498 F HA 0.125 4.653 4.527 0.001 0.000 0.281 498 F C 2.037 177.745 175.800 -0.153 0.000 1.060 498 F CA -0.184 57.626 58.000 -0.317 0.000 1.397 498 F CB -1.058 37.807 39.000 -0.225 0.000 1.129 498 F HN -0.067 nan 8.300 nan 0.000 0.620 499 I N 0.542 121.094 120.570 -0.029 0.000 2.185 499 I HA -0.117 4.054 4.170 0.001 0.000 0.235 499 I C 2.403 178.406 176.117 -0.189 0.000 1.069 499 I CA 1.063 62.339 61.300 -0.041 0.000 1.354 499 I CB -1.240 36.626 38.000 -0.223 0.000 1.093 499 I HN -0.008 nan 8.210 nan 0.000 0.411 500 L N 0.031 121.002 121.223 -0.420 0.000 2.089 500 L HA -0.263 4.078 4.340 0.001 0.000 0.213 500 L C 2.554 179.259 176.870 -0.275 0.000 1.079 500 L CA 1.338 55.999 54.840 -0.298 0.000 0.758 500 L CB -0.735 41.165 42.059 -0.266 0.000 0.891 500 L HN 0.335 nan 8.230 nan 0.000 0.433 501 E N 0.443 120.437 120.200 -0.344 0.000 2.013 501 E HA -0.249 4.102 4.350 0.001 0.000 0.202 501 E C 2.166 178.280 176.600 -0.810 0.000 1.018 501 E CA 1.622 57.710 56.400 -0.519 0.000 0.834 501 E CB -0.355 29.063 29.700 -0.470 0.000 0.770 501 E HN 0.564 nan 8.360 nan 0.000 0.459 502 Q N 0.244 119.717 119.800 -0.545 0.000 2.135 502 Q HA -0.178 4.163 4.340 0.001 0.000 0.204 502 Q C 2.131 178.067 176.000 -0.107 0.000 0.981 502 Q CA 1.199 56.798 55.803 -0.339 0.000 0.856 502 Q CB -0.278 28.600 28.738 0.234 0.000 0.902 502 Q HN 0.417 nan 8.270 nan 0.000 0.425 503 E N 1.053 121.221 120.200 -0.053 0.000 2.070 503 E HA -0.255 4.096 4.350 0.001 0.000 0.197 503 E C 1.978 178.563 176.600 -0.024 0.000 1.004 503 E CA 1.494 57.898 56.400 0.007 0.000 0.805 503 E CB -0.045 29.647 29.700 -0.012 0.000 0.744 503 E HN 0.387 nan 8.360 nan 0.000 0.451 504 E N 0.271 120.403 120.200 -0.114 0.000 2.150 504 E HA -0.202 4.148 4.350 0.001 0.000 0.193 504 E C 1.607 178.214 176.600 0.011 0.000 0.985 504 E CA 0.970 57.348 56.400 -0.036 0.000 0.814 504 E CB -0.190 29.486 29.700 -0.039 0.000 0.752 504 E HN 0.221 nan 8.360 nan 0.000 0.466 505 Y N 1.528 121.712 120.300 -0.193 0.000 2.036 505 Y HA -0.260 4.291 4.550 0.002 0.000 0.273 505 Y C 2.611 178.390 175.900 -0.202 0.000 1.135 505 Y CA 1.719 59.571 58.100 -0.414 0.000 1.106 505 Y CB -1.534 36.595 38.460 -0.551 0.000 0.976 505 Y HN 0.281 nan 8.280 nan 0.000 0.483 506 Q N 1.584 121.475 119.800 0.153 0.000 2.112 506 Q HA -0.294 4.046 4.340 0.001 0.000 0.206 506 Q C 2.322 178.368 176.000 0.076 0.000 0.987 506 Q CA 2.356 58.239 55.803 0.133 0.000 0.858 506 Q CB -0.544 28.299 28.738 0.174 0.000 0.905 506 Q HN 0.618 nan 8.270 nan 0.000 0.420 507 R N 0.285 120.826 120.500 0.069 0.000 2.120 507 R HA -0.164 4.176 4.340 0.001 0.000 0.234 507 R C 1.538 177.879 176.300 0.068 0.000 1.123 507 R CA 1.813 57.950 56.100 0.062 0.000 0.975 507 R CB -0.101 30.232 30.300 0.055 0.000 0.866 507 R HN 0.252 nan 8.270 nan 0.000 0.446 508 E N -0.671 119.574 120.200 0.076 0.000 2.474 508 E HA 0.129 4.480 4.350 0.001 0.000 0.195 508 E C 0.336 176.970 176.600 0.056 0.000 1.039 508 E CA 0.651 57.116 56.400 0.109 0.000 0.881 508 E CB 0.530 30.395 29.700 0.276 0.000 0.970 508 E HN 0.538 nan 8.360 nan 0.000 0.486 509 G N 0.987 109.800 108.800 0.021 0.000 2.160 509 G HA2 -0.225 3.735 3.960 0.001 0.000 0.244 509 G HA3 -0.225 3.735 3.960 0.001 0.000 0.244 509 G C 0.051 174.924 174.900 -0.044 0.000 1.022 509 G CA 0.218 45.323 45.100 0.009 0.000 0.741 509 G HN 0.208 nan 8.290 nan 0.000 0.508 510 I N 0.875 121.365 120.570 -0.132 0.000 2.575 510 I HA 0.179 4.349 4.170 0.001 0.000 0.285 510 I C 1.112 177.181 176.117 -0.079 0.000 1.085 510 I CA -0.926 60.231 61.300 -0.238 0.000 1.403 510 I CB 1.212 38.854 38.000 -0.596 0.000 1.409 510 I HN 0.349 nan 8.210 nan 0.000 0.557 511 E N 7.224 127.375 120.200 -0.082 0.000 1.939 511 E HA -0.055 4.296 4.350 0.001 0.000 0.259 511 E C -1.445 175.217 176.600 0.104 0.000 1.259 511 E CA 0.029 56.428 56.400 -0.002 0.000 0.971 511 E CB 0.303 29.985 29.700 -0.030 0.000 1.055 511 E HN 0.527 nan 8.360 nan 0.000 0.420 512 W N 4.869 126.124 121.300 -0.075 0.000 3.097 512 W HA 0.339 5.000 4.660 0.001 0.000 0.335 512 W C -1.725 174.819 176.519 0.041 0.000 1.114 512 W CA -0.807 56.520 57.345 -0.030 0.000 1.231 512 W CB 1.328 30.756 29.460 -0.054 0.000 1.388 512 W HN 0.304 nan 8.180 nan 0.000 0.485 513 N N 4.729 122.982 118.700 -0.744 0.000 2.424 513 N HA 0.228 4.969 4.740 0.001 0.000 0.271 513 N C -0.528 174.607 175.510 -0.626 0.000 0.985 513 N CA -0.510 52.253 53.050 -0.479 0.000 0.921 513 N CB 1.247 39.519 38.487 -0.359 0.000 1.149 513 N HN 0.266 nan 8.380 nan 0.000 0.492 514 F N 2.967 122.802 119.950 -0.192 0.000 2.642 514 F HA 0.052 4.580 4.527 0.001 0.000 0.371 514 F C -0.137 175.630 175.800 -0.054 0.000 1.120 514 F CA 0.352 58.392 58.000 0.068 0.000 1.331 514 F CB 0.304 39.377 39.000 0.122 0.000 1.044 514 F HN 0.372 nan 8.300 nan 0.000 0.594 515 I N 5.389 125.440 120.570 -0.865 0.000 2.411 515 I HA 0.125 4.296 4.170 0.001 0.000 0.284 515 I C -0.919 174.639 176.117 -0.933 0.000 1.012 515 I CA -0.935 59.909 61.300 -0.759 0.000 1.119 515 I CB 1.384 38.914 38.000 -0.784 0.000 1.261 515 I HN 0.449 nan 8.210 nan 0.000 0.448 516 D N 5.884 126.100 120.400 -0.307 0.000 2.344 516 D HA 0.111 4.752 4.640 0.001 0.000 0.253 516 D C 0.289 176.444 176.300 -0.241 0.000 1.255 516 D CA 0.126 54.155 54.000 0.049 0.000 0.894 516 D CB 0.461 41.383 40.800 0.203 0.000 1.067 516 D HN 0.299 nan 8.370 nan 0.000 0.492 517 F N 2.280 122.106 119.950 -0.207 0.000 2.804 517 F HA 0.224 4.752 4.527 0.001 0.000 0.303 517 F C 2.020 177.659 175.800 -0.269 0.000 1.154 517 F CA 0.335 58.123 58.000 -0.353 0.000 1.401 517 F CB -0.097 38.416 39.000 -0.811 0.000 1.106 517 F HN 0.639 nan 8.300 nan 0.000 0.568 518 G N 1.766 110.566 108.800 -0.000 0.000 2.372 518 G HA2 -0.282 3.679 3.960 0.001 0.000 0.297 518 G HA3 -0.282 3.679 3.960 0.001 0.000 0.297 518 G C -0.422 174.494 174.900 0.026 0.000 1.005 518 G CA -0.047 45.065 45.100 0.020 0.000 1.173 518 G HN 0.390 nan 8.290 nan 0.000 0.511 519 L N 0.782 122.036 121.223 0.052 0.000 2.563 519 L HA 0.459 4.800 4.340 0.001 0.000 0.259 519 L C -0.966 176.000 176.870 0.161 0.000 1.034 519 L CA -0.684 54.216 54.840 0.100 0.000 0.899 519 L CB 1.901 44.017 42.059 0.095 0.000 1.159 519 L HN 0.266 nan 8.230 nan 0.000 0.456 520 D N 2.234 122.718 120.400 0.141 0.000 2.936 520 D HA 0.415 5.056 4.640 0.001 0.000 0.238 520 D C -0.001 176.380 176.300 0.135 0.000 1.248 520 D CA -0.401 53.686 54.000 0.145 0.000 0.903 520 D CB 2.064 42.945 40.800 0.136 0.000 1.544 520 D HN 0.279 nan 8.370 nan 0.000 0.543 521 L N 2.736 124.039 121.223 0.132 0.000 2.693 521 L HA 0.129 4.470 4.340 0.001 0.000 0.235 521 L C 1.753 178.715 176.870 0.154 0.000 1.127 521 L CA -0.167 54.759 54.840 0.144 0.000 0.914 521 L CB 0.143 42.271 42.059 0.116 0.000 1.193 521 L HN 0.402 nan 8.230 nan 0.000 0.502 522 Q N 1.488 121.370 119.800 0.136 0.000 2.103 522 Q HA -0.193 4.148 4.340 0.001 0.000 0.213 522 Q C -0.650 175.447 176.000 0.161 0.000 1.008 522 Q CA 2.412 58.294 55.803 0.133 0.000 0.879 522 Q CB -1.331 27.474 28.738 0.111 0.000 0.946 522 Q HN 0.283 nan 8.270 nan 0.000 0.413 523 P HA -0.263 nan 4.420 nan 0.000 0.209 523 P C 1.510 179.011 177.300 0.335 0.000 1.167 523 P CA 1.876 65.124 63.100 0.248 0.000 0.941 523 P CB -0.774 31.036 31.700 0.184 0.000 0.787 524 C N -0.638 118.851 119.300 0.315 0.000 2.385 524 C HA -0.194 4.267 4.460 0.001 0.000 0.275 524 C C 2.883 177.988 174.990 0.192 0.000 1.207 524 C CA 0.976 60.145 59.018 0.251 0.000 1.760 524 C CB -1.901 25.993 27.740 0.257 0.000 2.051 524 C HN 0.114 nan 8.230 nan 0.000 0.467 525 I N 0.792 121.495 120.570 0.222 0.000 2.151 525 I HA -0.195 3.976 4.170 0.001 0.000 0.243 525 I C 2.613 178.809 176.117 0.132 0.000 1.080 525 I CA 1.858 63.292 61.300 0.223 0.000 1.339 525 I CB -0.521 37.612 38.000 0.223 0.000 1.039 525 I HN 0.395 nan 8.210 nan 0.000 0.409 526 E N 0.212 120.488 120.200 0.128 0.000 2.150 526 E HA -0.193 4.158 4.350 0.001 0.000 0.193 526 E C 2.064 178.683 176.600 0.032 0.000 0.985 526 E CA 0.913 57.369 56.400 0.092 0.000 0.814 526 E CB -0.465 29.311 29.700 0.126 0.000 0.752 526 E HN 0.373 nan 8.360 nan 0.000 0.466 527 L N 0.152 121.361 121.223 -0.025 0.000 2.549 527 L HA -0.050 4.291 4.340 0.001 0.000 0.230 527 L C 1.609 178.426 176.870 -0.089 0.000 1.162 527 L CA 1.259 55.968 54.840 -0.217 0.000 0.834 527 L CB -0.099 41.594 42.059 -0.610 0.000 0.947 527 L HN 0.013 nan 8.230 nan 0.000 0.452 528 I N -1.243 119.291 120.570 -0.060 0.000 3.812 528 I HA 0.011 4.181 4.170 0.001 0.000 0.292 528 I C 1.604 177.631 176.117 -0.150 0.000 1.206 528 I CA 0.625 61.858 61.300 -0.111 0.000 1.370 528 I CB 0.250 38.098 38.000 -0.253 0.000 1.328 528 I HN 0.269 nan 8.210 nan 0.000 0.453 529 E N 0.487 120.603 120.200 -0.140 0.000 2.501 529 E HA 0.111 4.462 4.350 0.001 0.000 0.201 529 E C 0.768 177.377 176.600 0.014 0.000 1.016 529 E CA -0.370 55.992 56.400 -0.063 0.000 0.920 529 E CB 0.097 29.805 29.700 0.013 0.000 1.023 529 E HN -0.025 nan 8.360 nan 0.000 0.474 530 R N 2.839 123.348 120.500 0.016 0.000 2.606 530 R HA 0.089 4.430 4.340 0.001 0.000 0.276 530 R C -1.748 174.572 176.300 0.033 0.000 1.416 530 R CA -1.897 54.222 56.100 0.031 0.000 1.064 530 R CB -0.073 30.247 30.300 0.032 0.000 1.117 530 R HN 0.119 nan 8.270 nan 0.000 0.543 531 P HA -0.132 nan 4.420 nan 0.000 0.208 531 P C 0.315 177.635 177.300 0.035 0.000 1.195 531 P CA 1.289 64.413 63.100 0.040 0.000 0.927 531 P CB -0.305 31.419 31.700 0.040 0.000 0.778 532 T N -3.626 110.946 114.554 0.031 0.000 2.771 532 T HA 0.212 4.563 4.350 0.001 0.000 0.290 532 T C 0.891 175.606 174.700 0.024 0.000 1.005 532 T CA -0.409 61.707 62.100 0.026 0.000 0.944 532 T CB -0.175 68.707 68.868 0.024 0.000 1.147 532 T HN 0.173 nan 8.240 nan 0.000 0.534 533 N N -0.051 118.661 118.700 0.020 0.000 1.170 533 N HA -0.147 4.594 4.740 0.001 0.000 0.121 533 N C -2.553 172.967 175.510 0.016 0.000 0.786 533 N CA 0.872 53.932 53.050 0.018 0.000 0.876 533 N CB -2.633 35.867 38.487 0.022 0.000 1.094 533 N HN 0.621 nan 8.380 nan 0.000 0.586 534 P HA 0.221 nan 4.420 nan 0.000 0.260 534 P C -2.337 174.970 177.300 0.011 0.000 1.207 534 P CA -0.394 62.715 63.100 0.015 0.000 0.780 534 P CB -0.262 31.456 31.700 0.030 0.000 0.789 535 P HA 0.109 nan 4.420 nan 0.000 0.266 535 P C 0.548 177.845 177.300 -0.007 0.000 1.195 535 P CA 0.458 63.560 63.100 0.004 0.000 0.768 535 P CB 0.666 32.364 31.700 -0.003 0.000 0.838 536 G N 1.039 109.846 108.800 0.012 0.000 2.537 536 G HA2 0.370 4.331 3.960 0.001 0.000 0.323 536 G HA3 0.370 4.331 3.960 0.001 0.000 0.323 536 G C 0.951 175.883 174.900 0.053 0.000 1.207 536 G CA -0.765 44.339 45.100 0.005 0.000 0.976 536 G HN 0.246 nan 8.290 nan 0.000 0.487 537 V N 0.527 120.484 119.914 0.072 0.000 2.233 537 V HA -0.250 3.871 4.120 0.001 0.000 0.252 537 V C 2.947 179.236 176.094 0.324 0.000 1.063 537 V CA 1.940 64.362 62.300 0.204 0.000 1.032 537 V CB -0.907 31.075 31.823 0.265 0.000 0.645 537 V HN 0.600 nan 8.190 nan 0.000 0.446 538 L N -0.278 121.078 121.223 0.221 0.000 1.989 538 L HA -0.232 4.109 4.340 0.001 0.000 0.211 538 L C 2.710 179.693 176.870 0.188 0.000 1.071 538 L CA 1.979 56.952 54.840 0.223 0.000 0.749 538 L CB -0.884 41.250 42.059 0.125 0.000 0.890 538 L HN 0.431 nan 8.230 nan 0.000 0.431 539 A N -0.336 122.565 122.820 0.135 0.000 1.969 539 A HA -0.123 4.198 4.320 0.001 0.000 0.218 539 A C 2.250 179.914 177.584 0.134 0.000 1.169 539 A CA 1.060 53.164 52.037 0.111 0.000 0.635 539 A CB -0.550 18.495 19.000 0.075 0.000 0.810 539 A HN 0.355 nan 8.150 nan 0.000 0.445 540 L N -1.112 120.212 121.223 0.170 0.000 2.042 540 L HA -0.193 4.148 4.340 0.001 0.000 0.210 540 L C 2.571 179.635 176.870 0.325 0.000 1.076 540 L CA 1.225 56.178 54.840 0.189 0.000 0.749 540 L CB -0.479 41.656 42.059 0.127 0.000 0.893 540 L HN 0.472 nan 8.230 nan 0.000 0.432 541 L N 0.117 121.599 121.223 0.431 0.000 1.961 541 L HA -0.235 4.106 4.340 0.001 0.000 0.210 541 L C 2.091 179.011 176.870 0.083 0.000 1.072 541 L CA 1.950 56.911 54.840 0.202 0.000 0.749 541 L CB -0.781 41.244 42.059 -0.057 0.000 0.889 541 L HN 0.197 nan 8.230 nan 0.000 0.432 542 D N 0.143 120.587 120.400 0.073 0.000 2.220 542 D HA -0.252 4.389 4.640 0.001 0.000 0.198 542 D C 2.151 178.484 176.300 0.056 0.000 1.001 542 D CA 1.663 55.692 54.000 0.048 0.000 0.875 542 D CB -0.188 40.651 40.800 0.064 0.000 0.921 542 D HN 0.695 nan 8.370 nan 0.000 0.454 543 E N 1.354 121.604 120.200 0.083 0.000 2.016 543 E HA -0.161 4.190 4.350 0.001 0.000 0.190 543 E C 1.943 178.589 176.600 0.077 0.000 0.985 543 E CA 1.080 57.524 56.400 0.073 0.000 0.802 543 E CB -0.708 29.038 29.700 0.076 0.000 0.762 543 E HN 0.080 nan 8.360 nan 0.000 0.448 544 E N 0.176 120.450 120.200 0.122 0.000 2.113 544 E HA -0.156 4.195 4.350 0.001 0.000 0.210 544 E C 1.598 178.238 176.600 0.066 0.000 1.040 544 E CA 1.341 57.818 56.400 0.129 0.000 0.847 544 E CB -1.127 28.715 29.700 0.237 0.000 0.755 544 E HN 0.770 nan 8.360 nan 0.000 0.459 551 T N -0.219 114.361 114.554 0.044 0.000 2.882 551 T HA 0.470 4.821 4.350 0.001 0.000 0.287 551 T C 0.840 175.593 174.700 0.088 0.000 1.014 551 T CA 0.276 62.405 62.100 0.050 0.000 1.049 551 T CB 0.222 69.115 68.868 0.041 0.000 1.001 551 T HN 0.431 nan 8.240 nan 0.000 0.525 552 D N 0.862 121.314 120.400 0.087 0.000 2.144 552 D HA -0.107 4.534 4.640 0.001 0.000 0.199 552 D C 2.220 178.625 176.300 0.177 0.000 0.984 552 D CA 1.839 55.915 54.000 0.126 0.000 0.834 552 D CB -0.210 40.646 40.800 0.092 0.000 0.955 552 D HN 0.697 nan 8.370 nan 0.000 0.465 553 T N -0.071 114.548 114.554 0.108 0.000 2.821 553 T HA -0.157 4.194 4.350 0.001 0.000 0.267 553 T C 2.086 176.829 174.700 0.072 0.000 1.046 553 T CA 1.993 64.142 62.100 0.083 0.000 1.139 553 T CB -0.177 68.721 68.868 0.051 0.000 0.871 553 T HN 0.114 nan 8.240 nan 0.000 0.454 554 S N 0.186 115.934 115.700 0.080 0.000 2.382 554 S HA -0.129 4.342 4.470 0.001 0.000 0.228 554 S C 1.823 176.463 174.600 0.067 0.000 1.027 554 S CA 1.496 59.730 58.200 0.057 0.000 0.991 554 S CB -0.938 62.297 63.200 0.059 0.000 0.823 554 S HN 0.631 nan 8.310 nan 0.000 0.469 555 F N 2.794 122.738 119.950 -0.010 0.000 2.069 555 F HA -0.090 4.438 4.527 0.001 0.000 0.298 555 F C 2.107 177.879 175.800 -0.047 0.000 1.113 555 F CA 1.944 59.935 58.000 -0.016 0.000 1.214 555 F CB -0.939 38.066 39.000 0.007 0.000 0.978 555 F HN 0.110 nan 8.300 nan 0.000 0.474 556 V N 0.974 120.732 119.914 -0.260 0.000 2.324 556 V HA -0.332 3.789 4.120 0.001 0.000 0.250 556 V C 2.844 178.767 176.094 -0.285 0.000 1.060 556 V CA 2.642 64.723 62.300 -0.365 0.000 1.042 556 V CB -2.000 29.804 31.823 -0.033 0.000 0.650 556 V HN 0.612 nan 8.190 nan 0.000 0.450 557 E N 0.503 120.612 120.200 -0.153 0.000 2.058 557 E HA -0.333 4.018 4.350 0.001 0.000 0.194 557 E C 2.323 178.824 176.600 -0.164 0.000 0.997 557 E CA 2.659 58.991 56.400 -0.114 0.000 0.801 557 E CB -0.909 28.756 29.700 -0.059 0.000 0.746 557 E HN 0.742 nan 8.360 nan 0.000 0.450 558 K N 0.102 120.385 120.400 -0.195 0.000 2.103 558 K HA 0.262 4.583 4.320 0.001 0.000 0.204 558 K C 2.356 178.785 176.600 -0.284 0.000 1.052 558 K CA 1.409 57.581 56.287 -0.191 0.000 0.945 558 K CB -0.954 31.467 32.500 -0.131 0.000 0.722 558 K HN 0.454 nan 8.250 nan 0.000 0.443 559 L N 0.748 121.694 121.223 -0.463 0.000 2.042 559 L HA -0.101 4.240 4.340 0.001 0.000 0.210 559 L C 2.308 178.909 176.870 -0.448 0.000 1.076 559 L CA 1.690 56.215 54.840 -0.525 0.000 0.749 559 L CB -0.225 41.307 42.059 -0.877 0.000 0.893 559 L HN 0.448 nan 8.230 nan 0.000 0.432 560 I N -0.741 119.610 120.570 -0.366 0.000 2.163 560 I HA -0.295 3.875 4.170 0.001 0.000 0.240 560 I C 2.529 178.421 176.117 -0.376 0.000 1.081 560 I CA 1.729 62.791 61.300 -0.396 0.000 1.353 560 I CB -0.793 37.113 38.000 -0.156 0.000 1.054 560 I HN 0.509 nan 8.210 nan 0.000 0.407 561 Q N 0.826 120.477 119.800 -0.247 0.000 2.234 561 Q HA -0.219 4.122 4.340 0.001 0.000 0.206 561 Q C 1.864 177.749 176.000 -0.191 0.000 0.980 561 Q CA 1.404 57.098 55.803 -0.182 0.000 0.869 561 Q CB 0.237 28.897 28.738 -0.129 0.000 0.912 561 Q HN 0.453 nan 8.270 nan 0.000 0.436 562 E N -0.268 119.794 120.200 -0.231 0.000 2.075 562 E HA -0.070 4.281 4.350 0.001 0.000 0.190 562 E C 1.951 178.412 176.600 -0.231 0.000 0.969 562 E CA 0.716 57.002 56.400 -0.191 0.000 0.815 562 E CB 0.091 29.690 29.700 -0.168 0.000 0.776 562 E HN 0.321 nan 8.360 nan 0.000 0.457 563 Q N -0.588 118.972 119.800 -0.400 0.000 2.225 563 Q HA 0.174 4.515 4.340 0.001 0.000 0.193 563 Q C 1.895 177.505 176.000 -0.649 0.000 0.990 563 Q CA 1.169 56.673 55.803 -0.497 0.000 0.841 563 Q CB -0.868 27.457 28.738 -0.689 0.000 0.941 563 Q HN 0.270 nan 8.270 nan 0.000 0.516 564 G N 1.538 109.553 108.800 -1.308 0.000 4.217 564 G HA2 -0.515 3.446 3.960 0.001 0.000 0.366 564 G HA3 -0.515 3.446 3.960 0.001 0.000 0.366 564 G C 1.158 175.844 174.900 -0.356 0.000 1.707 564 G CA 1.603 46.171 45.100 -0.888 0.000 1.697 564 G HN 0.477 nan 8.290 nan 0.000 0.855 565 N N 0.378 118.973 118.700 -0.177 0.000 2.142 565 N HA 0.068 4.808 4.740 0.001 0.000 0.186 565 N C 1.014 176.565 175.510 0.067 0.000 1.023 565 N CA 0.710 53.748 53.050 -0.021 0.000 0.852 565 N CB -0.228 38.237 38.487 -0.036 0.000 0.998 565 N HN 0.808 nan 8.380 nan 0.000 0.424 566 H N 0.685 119.727 119.070 -0.046 0.000 3.199 566 H HA -0.164 4.392 4.556 0.002 0.000 0.267 566 H C 1.329 176.730 175.328 0.122 0.000 0.848 566 H CA 0.024 56.094 56.048 0.037 0.000 1.426 566 H CB 0.285 30.075 29.762 0.046 0.000 1.350 566 H HN 0.292 nan 8.280 nan 0.000 0.527 567 A N 5.907 128.657 122.820 -0.117 0.000 1.916 567 A HA -0.331 3.990 4.320 0.001 0.000 0.224 567 A C 1.753 179.458 177.584 0.201 0.000 1.366 567 A CA 2.274 54.313 52.037 0.003 0.000 0.692 567 A CB -0.344 18.592 19.000 -0.107 0.000 0.841 567 A HN 0.808 nan 8.150 nan 0.000 0.480 568 K N -1.552 119.096 120.400 0.413 0.000 2.911 568 K HA 0.321 4.642 4.320 0.001 0.000 0.239 568 K C -0.830 175.983 176.600 0.355 0.000 1.090 568 K CA -0.050 56.451 56.287 0.358 0.000 1.225 568 K CB -0.452 32.253 32.500 0.341 0.000 1.087 568 K HN 0.452 nan 8.250 nan 0.000 0.464 569 F N 0.469 120.547 119.950 0.213 0.000 2.613 569 F HA 0.361 4.888 4.527 0.001 0.000 0.314 569 F C -1.365 174.506 175.800 0.118 0.000 1.075 569 F CA -0.771 57.318 58.000 0.148 0.000 0.945 569 F CB 1.986 41.055 39.000 0.115 0.000 1.310 569 F HN -0.087 nan 8.300 nan 0.000 0.467 570 Q N 3.164 122.968 119.800 0.006 0.000 2.364 570 Q HA 0.394 4.735 4.340 0.001 0.000 0.251 570 Q C -0.982 175.085 176.000 0.111 0.000 0.927 570 Q CA -0.820 55.082 55.803 0.164 0.000 0.924 570 Q CB 1.931 30.692 28.738 0.037 0.000 1.419 570 Q HN 0.867 nan 8.270 nan 0.000 0.427 571 K N 1.140 121.736 120.400 0.327 0.000 2.319 571 K HA 0.371 4.692 4.320 0.001 0.000 0.265 571 K C 0.214 176.885 176.600 0.119 0.000 1.000 571 K CA 0.030 56.480 56.287 0.272 0.000 0.943 571 K CB 1.135 33.761 32.500 0.210 0.000 0.950 571 K HN 0.518 nan 8.250 nan 0.000 0.485 579 T N -1.735 112.842 114.554 0.038 0.000 4.886 579 T HA -0.188 4.162 4.350 0.001 0.000 0.295 579 T C -0.126 174.607 174.700 0.054 0.000 1.495 579 T CA 1.732 63.862 62.100 0.051 0.000 2.670 579 T CB -2.206 66.683 68.868 0.035 0.000 1.686 579 T HN 0.885 nan 8.240 nan 0.000 0.981 580 E N 0.358 120.587 120.200 0.049 0.000 2.248 580 E HA 0.724 5.075 4.350 0.001 0.000 0.272 580 E C 0.090 176.763 176.600 0.121 0.000 1.008 580 E CA -0.744 55.658 56.400 0.003 0.000 0.856 580 E CB 0.893 30.570 29.700 -0.037 0.000 1.120 580 E HN 0.580 nan 8.360 nan 0.000 0.397 581 F N -1.555 118.350 119.950 -0.076 0.000 2.711 581 F HA 0.674 5.202 4.527 0.002 0.000 0.313 581 F C -1.377 174.307 175.800 -0.192 0.000 1.141 581 F CA -1.194 56.704 58.000 -0.169 0.000 0.941 581 F CB 0.884 39.739 39.000 -0.241 0.000 1.349 581 F HN 0.319 nan 8.300 nan 0.000 0.464 582 C N 2.620 121.836 119.300 -0.140 0.000 2.498 582 C HA 0.789 5.250 4.460 0.001 0.000 0.316 582 C C -0.708 174.188 174.990 -0.157 0.000 1.209 582 C CA -0.639 58.270 59.018 -0.180 0.000 1.518 582 C CB 1.108 28.765 27.740 -0.139 0.000 2.147 582 C HN 0.548 nan 8.230 nan 0.000 0.483 583 I N 3.222 123.760 120.570 -0.052 0.000 2.433 583 I HA 0.348 4.519 4.170 0.001 0.000 0.292 583 I C -0.368 175.664 176.117 -0.140 0.000 1.001 583 I CA -0.541 60.720 61.300 -0.064 0.000 1.119 583 I CB 1.628 39.629 38.000 0.000 0.000 1.289 583 I HN 0.564 nan 8.210 nan 0.000 0.438 584 L N 6.111 127.291 121.223 -0.071 0.000 2.358 584 L HA 0.268 4.609 4.340 0.001 0.000 0.274 584 L C 0.480 177.366 176.870 0.026 0.000 1.136 584 L CA -0.361 54.480 54.840 0.002 0.000 0.970 584 L CB -0.634 41.460 42.059 0.059 0.000 1.314 584 L HN 0.418 nan 8.230 nan 0.000 0.427 585 H N 1.348 120.537 119.070 0.199 0.000 2.690 585 H HA -0.028 4.528 4.556 0.001 0.000 0.365 585 H C 0.802 176.138 175.328 0.014 0.000 1.142 585 H CA 0.028 56.211 56.048 0.225 0.000 1.417 585 H CB 1.037 31.028 29.762 0.382 0.000 1.446 585 H HN 0.566 nan 8.280 nan 0.000 0.599 586 Y N 0.843 121.208 120.300 0.107 0.000 2.151 586 Y HA -0.215 4.336 4.550 0.001 0.000 0.284 586 Y C 2.041 177.847 175.900 -0.157 0.000 1.166 586 Y CA 1.293 59.385 58.100 -0.014 0.000 1.163 586 Y CB -0.912 37.540 38.460 -0.013 0.000 0.974 586 Y HN 0.515 nan 8.280 nan 0.000 0.511 587 A N 0.497 122.211 122.820 -1.843 0.000 2.167 587 A HA 0.488 4.809 4.320 0.001 0.000 0.214 587 A C 1.402 178.538 177.584 -0.747 0.000 1.151 587 A CA 0.942 52.018 52.037 -1.602 0.000 0.735 587 A CB -1.035 16.364 19.000 -2.668 0.000 0.802 587 A HN 1.023 nan 8.150 nan 0.000 0.467 588 G N -1.375 107.197 108.800 -0.380 0.000 2.356 588 G HA2 0.315 4.275 3.960 0.001 0.000 0.300 588 G HA3 0.315 4.275 3.960 0.001 0.000 0.300 588 G C -1.150 173.835 174.900 0.141 0.000 1.331 588 G CA -0.629 44.453 45.100 -0.030 0.000 0.905 588 G HN 0.209 nan 8.290 nan 0.000 0.587 589 K N 0.426 120.875 120.400 0.081 0.000 2.267 589 K HA 0.574 4.895 4.320 0.001 0.000 0.282 589 K C -0.383 176.216 176.600 -0.003 0.000 1.078 589 K CA -0.425 55.888 56.287 0.044 0.000 0.903 589 K CB 0.975 33.474 32.500 -0.001 0.000 1.111 589 K HN 0.343 nan 8.250 nan 0.000 0.475 590 V N 3.531 123.422 119.914 -0.039 0.000 2.398 590 V HA 0.180 4.301 4.120 0.001 0.000 0.286 590 V C 0.264 176.038 176.094 -0.533 0.000 1.026 590 V CA -0.821 61.289 62.300 -0.316 0.000 0.868 590 V CB 1.395 32.956 31.823 -0.437 0.000 0.982 590 V HN 0.821 nan 8.190 nan 0.000 0.443 591 T N 4.646 118.913 114.554 -0.478 0.000 2.832 591 T HA 0.521 4.872 4.350 0.001 0.000 0.313 591 T C -0.526 173.872 174.700 -0.504 0.000 1.035 591 T CA -0.272 61.577 62.100 -0.418 0.000 0.950 591 T CB -0.237 68.497 68.868 -0.223 0.000 0.984 591 T HN 0.350 nan 8.240 nan 0.000 0.486 592 Y N 3.594 123.631 120.300 -0.439 0.000 2.299 592 Y HA 0.351 4.902 4.550 0.002 0.000 0.335 592 Y C 1.139 176.787 175.900 -0.419 0.000 1.287 592 Y CA -0.720 57.120 58.100 -0.434 0.000 1.424 592 Y CB 0.749 38.797 38.460 -0.687 0.000 1.326 592 Y HN 0.742 nan 8.280 nan 0.000 0.567 593 N N 0.030 118.727 118.700 -0.004 0.000 2.573 593 N HA 0.454 5.195 4.740 0.001 0.000 0.262 593 N C -0.286 175.129 175.510 -0.158 0.000 1.029 593 N CA -0.159 52.862 53.050 -0.049 0.000 0.882 593 N CB 0.770 39.291 38.487 0.056 0.000 1.204 593 N HN 0.754 nan 8.380 nan 0.000 0.519 594 A N 2.003 124.520 122.820 -0.505 0.000 2.264 594 A HA 0.033 4.354 4.320 0.001 0.000 0.207 594 A C 0.605 178.000 177.584 -0.314 0.000 1.196 594 A CA 0.183 51.569 52.037 -1.085 0.000 0.778 594 A CB -0.311 18.445 19.000 -0.406 0.000 0.779 594 A HN 0.553 nan 8.150 nan 0.000 0.483 595 S N -0.342 115.361 115.700 0.004 0.000 2.544 595 S HA 0.331 4.802 4.470 0.001 0.000 0.290 595 S C 1.346 176.116 174.600 0.282 0.000 1.276 595 S CA 0.703 58.986 58.200 0.138 0.000 1.075 595 S CB 0.258 63.533 63.200 0.125 0.000 0.849 595 S HN 1.752 nan 8.310 nan 0.000 0.494 596 A N 2.848 125.795 122.820 0.211 0.000 3.413 596 A HA -0.191 4.129 4.320 0.001 0.000 0.268 596 A C 1.220 178.938 177.584 0.224 0.000 1.128 596 A CA 1.428 53.588 52.037 0.205 0.000 1.062 596 A CB -2.501 16.621 19.000 0.203 0.000 1.121 596 A HN 0.860 nan 8.150 nan 0.000 0.895 597 W N -0.218 121.028 121.300 -0.089 0.000 2.321 597 W HA -0.078 4.583 4.660 0.001 0.000 0.306 597 W C 2.202 178.492 176.519 -0.381 0.000 1.217 597 W CA 1.884 59.062 57.345 -0.278 0.000 1.257 597 W CB -0.837 28.411 29.460 -0.353 0.000 1.145 597 W HN 0.500 nan 8.180 nan 0.000 0.509 598 L N -0.304 120.898 121.223 -0.036 0.000 2.042 598 L HA -0.273 4.068 4.340 0.001 0.000 0.210 598 L C 2.785 179.613 176.870 -0.070 0.000 1.076 598 L CA 2.165 56.948 54.840 -0.095 0.000 0.749 598 L CB -1.360 40.678 42.059 -0.034 0.000 0.893 598 L HN 0.124 nan 8.230 nan 0.000 0.432 599 T N -2.103 112.450 114.554 -0.002 0.000 2.812 599 T HA -0.183 4.168 4.350 0.001 0.000 0.264 599 T C 1.864 176.593 174.700 0.047 0.000 1.042 599 T CA 1.062 63.204 62.100 0.069 0.000 1.140 599 T CB -0.137 68.847 68.868 0.193 0.000 0.870 599 T HN 0.247 nan 8.240 nan 0.000 0.445 600 K N 0.859 121.238 120.400 -0.034 0.000 2.097 600 K HA -0.075 4.245 4.320 0.001 0.000 0.206 600 K C 2.374 178.847 176.600 -0.212 0.000 1.049 600 K CA 1.629 57.851 56.287 -0.108 0.000 0.933 600 K CB -0.302 32.084 32.500 -0.189 0.000 0.717 600 K HN 0.378 nan 8.250 nan 0.000 0.442 601 N N 0.124 118.598 118.700 -0.377 0.000 2.409 601 N HA -0.067 4.674 4.740 0.001 0.000 0.179 601 N C 1.492 176.934 175.510 -0.114 0.000 1.032 601 N CA 0.852 53.690 53.050 -0.353 0.000 0.898 601 N CB 0.205 38.412 38.487 -0.468 0.000 0.971 601 N HN 0.002 nan 8.380 nan 0.000 0.441 602 M N -0.183 119.379 119.600 -0.063 0.000 2.357 602 M HA 0.084 4.565 4.480 0.001 0.000 0.266 602 M C 0.073 176.400 176.300 0.045 0.000 1.095 602 M CA 0.657 55.959 55.300 0.003 0.000 1.156 602 M CB -1.021 31.588 32.600 0.017 0.000 1.365 602 M HN 0.058 nan 8.290 nan 0.000 0.447 603 D N 1.599 122.038 120.400 0.064 0.000 2.828 603 D HA -0.091 4.550 4.640 0.001 0.000 0.241 603 D C -2.235 174.140 176.300 0.126 0.000 1.142 603 D CA 0.123 54.178 54.000 0.092 0.000 0.755 603 D CB -0.421 40.421 40.800 0.071 0.000 1.014 603 D HN 0.190 nan 8.370 nan 0.000 0.420 604 P HA 0.316 nan 4.420 nan 0.000 0.282 604 P C -0.433 177.005 177.300 0.229 0.000 1.274 604 P CA -0.651 62.569 63.100 0.201 0.000 0.770 604 P CB 1.103 32.936 31.700 0.221 0.000 0.867 605 L N 3.225 124.553 121.223 0.174 0.000 2.331 605 L HA 0.411 4.752 4.340 0.001 0.000 0.268 605 L C 0.675 177.624 176.870 0.132 0.000 1.015 605 L CA -0.749 54.190 54.840 0.166 0.000 0.807 605 L CB 0.981 43.153 42.059 0.190 0.000 1.293 605 L HN 0.336 nan 8.230 nan 0.000 0.451 606 N N -0.071 118.688 118.700 0.098 0.000 3.083 606 N HA 0.082 4.823 4.740 0.001 0.000 0.260 606 N C 0.149 175.669 175.510 0.016 0.000 1.163 606 N CA -0.307 52.775 53.050 0.052 0.000 1.060 606 N CB 0.238 38.742 38.487 0.029 0.000 1.345 606 N HN 0.571 nan 8.380 nan 0.000 0.515 607 D N 0.926 121.344 120.400 0.030 0.000 2.286 607 D HA -0.344 4.297 4.640 0.001 0.000 0.195 607 D C 0.930 177.222 176.300 -0.013 0.000 1.012 607 D CA 1.496 55.507 54.000 0.018 0.000 0.901 607 D CB -0.218 40.599 40.800 0.028 0.000 0.903 607 D HN 0.562 nan 8.370 nan 0.000 0.451 608 N N -0.116 118.573 118.700 -0.019 0.000 2.004 608 N HA -0.173 4.567 4.740 0.001 0.000 0.196 608 N C 2.113 177.597 175.510 -0.044 0.000 1.064 608 N CA 1.694 54.727 53.050 -0.030 0.000 0.855 608 N CB -0.326 38.139 38.487 -0.037 0.000 1.056 608 N HN 0.163 nan 8.380 nan 0.000 0.423 609 V N 1.565 121.450 119.914 -0.049 0.000 2.392 609 V HA -0.234 3.887 4.120 0.001 0.000 0.249 609 V C 2.029 178.029 176.094 -0.157 0.000 1.059 609 V CA 2.165 64.445 62.300 -0.033 0.000 1.051 609 V CB -0.954 30.887 31.823 0.029 0.000 0.658 609 V HN 0.336 nan 8.190 nan 0.000 0.455 610 T N -0.122 114.314 114.554 -0.196 0.000 2.653 610 T HA -0.239 4.112 4.350 0.001 0.000 0.268 610 T C 2.066 176.621 174.700 -0.241 0.000 1.035 610 T CA 2.323 64.226 62.100 -0.327 0.000 1.154 610 T CB -0.501 68.301 68.868 -0.109 0.000 0.862 610 T HN 0.667 nan 8.240 nan 0.000 0.441 611 S N 0.202 115.837 115.700 -0.108 0.000 2.368 611 S HA 0.026 4.497 4.470 0.001 0.000 0.224 611 S C 2.038 176.592 174.600 -0.076 0.000 1.029 611 S CA 0.713 58.878 58.200 -0.059 0.000 0.988 611 S CB -0.492 62.694 63.200 -0.024 0.000 0.838 611 S HN 0.413 nan 8.310 nan 0.000 0.462 612 L N 1.041 122.216 121.223 -0.080 0.000 2.021 612 L HA -0.213 4.128 4.340 0.001 0.000 0.215 612 L C 2.401 179.210 176.870 -0.101 0.000 1.074 612 L CA 1.610 56.414 54.840 -0.060 0.000 0.760 612 L CB -0.716 41.332 42.059 -0.018 0.000 0.889 612 L HN 0.376 nan 8.230 nan 0.000 0.433 613 L N -0.587 120.505 121.223 -0.218 0.000 2.093 613 L HA -0.201 4.140 4.340 0.001 0.000 0.208 613 L C 2.318 179.116 176.870 -0.121 0.000 1.085 613 L CA 1.281 55.952 54.840 -0.282 0.000 0.755 613 L CB -0.758 40.823 42.059 -0.797 0.000 0.904 613 L HN 0.363 nan 8.230 nan 0.000 0.435 614 N N 0.933 119.582 118.700 -0.086 0.000 2.184 614 N HA -0.241 4.500 4.740 0.001 0.000 0.190 614 N C 0.733 176.263 175.510 0.033 0.000 1.011 614 N CA 1.403 54.480 53.050 0.045 0.000 0.867 614 N CB 0.037 38.550 38.487 0.043 0.000 0.993 614 N HN 0.433 nan 8.380 nan 0.000 0.433 615 Q N -0.250 119.550 119.800 -0.001 0.000 2.628 615 Q HA 0.267 4.608 4.340 0.001 0.000 0.397 615 Q C -0.922 175.074 176.000 -0.007 0.000 0.916 615 Q CA -0.294 55.511 55.803 0.003 0.000 1.071 615 Q CB 1.078 29.816 28.738 -0.000 0.000 1.367 615 Q HN 0.167 nan 8.270 nan 0.000 0.404 616 S N -0.009 115.689 115.700 -0.002 0.000 2.584 616 S HA 0.129 4.600 4.470 0.001 0.000 0.273 616 S C 1.432 176.029 174.600 -0.005 0.000 1.311 616 S CA 0.061 58.255 58.200 -0.011 0.000 1.034 616 S CB 1.187 64.388 63.200 0.000 0.000 0.939 616 S HN 0.540 nan 8.310 nan 0.000 0.513 617 S N 2.361 118.049 115.700 -0.019 0.000 2.440 617 S HA -0.118 4.353 4.470 0.001 0.000 0.238 617 S C 0.455 175.047 174.600 -0.014 0.000 1.010 617 S CA 0.916 59.103 58.200 -0.021 0.000 0.972 617 S CB -0.417 62.760 63.200 -0.039 0.000 0.774 617 S HN 0.805 nan 8.310 nan 0.000 0.501 618 D N 1.210 121.605 120.400 -0.007 0.000 2.280 618 D HA 0.472 5.113 4.640 0.001 0.000 0.243 618 D C 1.142 177.468 176.300 0.043 0.000 1.129 618 D CA 0.353 54.362 54.000 0.014 0.000 0.848 618 D CB 1.754 42.564 40.800 0.017 0.000 1.107 618 D HN 0.334 nan 8.370 nan 0.000 0.471 619 K N 3.869 124.298 120.400 0.048 0.000 2.002 619 K HA -0.203 4.118 4.320 0.001 0.000 0.209 619 K C 1.971 178.608 176.600 0.063 0.000 1.048 619 K CA 1.336 57.654 56.287 0.052 0.000 0.930 619 K CB -1.239 31.291 32.500 0.050 0.000 0.714 619 K HN 0.561 nan 8.250 nan 0.000 0.438 620 F N 1.350 121.254 119.950 -0.077 0.000 2.091 620 F HA -0.231 4.297 4.527 0.002 0.000 0.299 620 F C 2.302 178.027 175.800 -0.124 0.000 1.103 620 F CA 1.983 59.884 58.000 -0.164 0.000 1.228 620 F CB -0.254 38.594 39.000 -0.254 0.000 0.984 620 F HN 0.001 nan 8.300 nan 0.000 0.477 621 V N 0.444 120.457 119.914 0.164 0.000 2.233 621 V HA -0.372 3.749 4.120 0.001 0.000 0.247 621 V C 2.723 178.924 176.094 0.178 0.000 1.050 621 V CA 2.008 64.419 62.300 0.185 0.000 1.010 621 V CB -1.751 30.172 31.823 0.168 0.000 0.637 621 V HN 0.487 nan 8.190 nan 0.000 0.444 622 A N -0.189 122.695 122.820 0.105 0.000 1.917 622 A HA -0.357 3.964 4.320 0.001 0.000 0.219 622 A C 1.964 179.584 177.584 0.059 0.000 1.182 622 A CA 2.572 54.667 52.037 0.097 0.000 0.633 622 A CB -0.878 18.152 19.000 0.050 0.000 0.819 622 A HN 0.614 nan 8.150 nan 0.000 0.448 623 D N -0.311 120.060 120.400 -0.048 0.000 2.087 623 D HA -0.138 4.503 4.640 0.001 0.000 0.192 623 D C 1.906 178.117 176.300 -0.148 0.000 0.993 623 D CA 1.415 55.349 54.000 -0.111 0.000 0.828 623 D CB -0.210 40.459 40.800 -0.219 0.000 0.968 623 D HN 0.373 nan 8.370 nan 0.000 0.448 624 L N -0.873 120.159 121.223 -0.318 0.000 2.103 624 L HA -0.194 4.147 4.340 0.001 0.000 0.215 624 L C 0.888 177.519 176.870 -0.398 0.000 1.080 624 L CA 1.171 55.761 54.840 -0.416 0.000 0.764 624 L CB -0.405 41.366 42.059 -0.481 0.000 0.890 624 L HN 0.318 nan 8.230 nan 0.000 0.435 625 W N 0.058 121.311 121.300 -0.078 0.000 2.616 625 W HA 0.266 4.927 4.660 0.001 0.000 0.419 625 W C 0.963 177.466 176.519 -0.026 0.000 0.835 625 W CA -0.356 56.969 57.345 -0.033 0.000 2.483 625 W CB -0.473 28.980 29.460 -0.012 0.000 1.289 625 W HN -0.158 nan 8.180 nan 0.000 0.755 658 T N -0.104 114.484 114.554 0.056 0.000 2.860 658 T HA 0.435 4.786 4.350 0.001 0.000 0.299 658 T C 1.603 176.355 174.700 0.087 0.000 1.045 658 T CA 0.170 62.301 62.100 0.053 0.000 1.071 658 T CB 1.430 70.317 68.868 0.032 0.000 0.985 658 T HN 0.625 nan 8.240 nan 0.000 0.537 659 V N 2.931 122.898 119.914 0.089 0.000 2.231 659 V HA -0.139 3.981 4.120 0.001 0.000 0.248 659 V C 2.990 179.226 176.094 0.237 0.000 1.054 659 V CA 2.495 64.888 62.300 0.155 0.000 1.015 659 V CB -1.833 30.094 31.823 0.172 0.000 0.638 659 V HN 1.143 nan 8.190 nan 0.000 0.444 660 G N -1.268 107.700 108.800 0.278 0.000 2.529 660 G HA2 -0.377 3.583 3.960 0.001 0.000 0.219 660 G HA3 -0.377 3.583 3.960 0.001 0.000 0.219 660 G C 1.500 176.557 174.900 0.262 0.000 1.177 660 G CA 1.359 46.668 45.100 0.348 0.000 0.773 660 G HN 0.559 nan 8.290 nan 0.000 0.573 661 Q N -0.324 119.583 119.800 0.179 0.000 2.045 661 Q HA -0.067 4.274 4.340 0.001 0.000 0.206 661 Q C 2.719 178.806 176.000 0.145 0.000 0.991 661 Q CA 1.445 57.331 55.803 0.139 0.000 0.851 661 Q CB -0.317 28.481 28.738 0.099 0.000 0.911 661 Q HN 0.502 nan 8.270 nan 0.000 0.418 662 L N -0.896 120.421 121.223 0.157 0.000 2.042 662 L HA -0.246 4.095 4.340 0.001 0.000 0.210 662 L C 2.272 179.267 176.870 0.208 0.000 1.076 662 L CA 1.357 56.290 54.840 0.155 0.000 0.749 662 L CB -0.580 41.569 42.059 0.149 0.000 0.893 662 L HN 0.286 nan 8.230 nan 0.000 0.432 663 Y N 0.885 121.261 120.300 0.126 0.000 2.114 663 Y HA -0.276 4.275 4.550 0.001 0.000 0.284 663 Y C 2.583 178.566 175.900 0.138 0.000 1.143 663 Y CA 1.550 59.734 58.100 0.141 0.000 1.135 663 Y CB -0.317 38.226 38.460 0.139 0.000 0.980 663 Y HN -0.040 nan 8.280 nan 0.000 0.499 664 K N 0.078 120.525 120.400 0.079 0.000 2.052 664 K HA -0.318 4.003 4.320 0.001 0.000 0.215 664 K C 2.419 178.980 176.600 -0.064 0.000 1.053 664 K CA 2.832 59.124 56.287 0.008 0.000 0.934 664 K CB -0.572 31.988 32.500 0.100 0.000 0.717 664 K HN 0.525 nan 8.250 nan 0.000 0.450 665 E N 0.961 121.159 120.200 -0.002 0.000 2.021 665 E HA -0.317 4.034 4.350 0.001 0.000 0.200 665 E C 1.940 178.522 176.600 -0.031 0.000 1.015 665 E CA 1.870 58.269 56.400 -0.001 0.000 0.824 665 E CB -0.847 28.873 29.700 0.035 0.000 0.762 665 E HN 0.528 nan 8.360 nan 0.000 0.454 666 Q N -1.044 118.752 119.800 -0.006 0.000 2.112 666 Q HA -0.162 4.179 4.340 0.001 0.000 0.206 666 Q C 2.396 178.357 176.000 -0.065 0.000 0.987 666 Q CA 1.669 57.508 55.803 0.060 0.000 0.858 666 Q CB -0.248 28.625 28.738 0.225 0.000 0.905 666 Q HN 0.480 nan 8.270 nan 0.000 0.420 667 L N 0.398 121.402 121.223 -0.364 0.000 1.994 667 L HA -0.196 4.145 4.340 0.001 0.000 0.208 667 L C 2.603 179.300 176.870 -0.289 0.000 1.071 667 L CA 2.610 57.142 54.840 -0.512 0.000 0.745 667 L CB -1.233 40.380 42.059 -0.742 0.000 0.892 667 L HN 0.415 nan 8.230 nan 0.000 0.431 668 T N -3.316 111.127 114.554 -0.186 0.000 2.746 668 T HA -0.254 4.097 4.350 0.001 0.000 0.267 668 T C 1.962 176.607 174.700 -0.092 0.000 1.039 668 T CA 1.625 63.657 62.100 -0.112 0.000 1.142 668 T CB -0.438 68.395 68.868 -0.059 0.000 0.866 668 T HN 0.262 nan 8.240 nan 0.000 0.444 669 K N 0.642 121.002 120.400 -0.067 0.000 2.103 669 K HA 0.068 4.389 4.320 0.001 0.000 0.207 669 K C 2.099 178.658 176.600 -0.067 0.000 1.048 669 K CA 1.202 57.466 56.287 -0.037 0.000 0.930 669 K CB -0.443 32.059 32.500 0.003 0.000 0.716 669 K HN 0.268 nan 8.250 nan 0.000 0.444 670 L N 0.380 121.534 121.223 -0.116 0.000 1.973 670 L HA -0.134 4.207 4.340 0.001 0.000 0.208 670 L C 1.912 178.637 176.870 -0.241 0.000 1.073 670 L CA 1.718 56.425 54.840 -0.222 0.000 0.746 670 L CB -0.474 41.379 42.059 -0.343 0.000 0.891 670 L HN 0.114 nan 8.230 nan 0.000 0.433 671 M N -0.496 118.972 119.600 -0.220 0.000 2.116 671 M HA -0.255 4.226 4.480 0.001 0.000 0.255 671 M C 2.227 178.459 176.300 -0.114 0.000 1.075 671 M CA 2.345 57.544 55.300 -0.169 0.000 1.087 671 M CB -2.129 30.384 32.600 -0.146 0.000 1.340 671 M HN 0.368 nan 8.290 nan 0.000 0.402 672 T N 0.598 115.099 114.554 -0.089 0.000 2.674 672 T HA -0.127 4.224 4.350 0.001 0.000 0.265 672 T C 1.790 176.478 174.700 -0.021 0.000 1.039 672 T CA 2.251 64.325 62.100 -0.045 0.000 1.150 672 T CB -0.450 68.401 68.868 -0.029 0.000 0.864 672 T HN 0.468 nan 8.240 nan 0.000 0.427 673 T N 2.946 117.481 114.554 -0.032 0.000 2.665 673 T HA -0.075 4.276 4.350 0.001 0.000 0.268 673 T C 2.000 176.740 174.700 0.066 0.000 1.035 673 T CA 1.120 63.238 62.100 0.031 0.000 1.151 673 T CB -0.647 68.204 68.868 -0.028 0.000 0.862 673 T HN 0.259 nan 8.240 nan 0.000 0.438 674 L N 0.052 121.241 121.223 -0.057 0.000 2.083 674 L HA -0.089 4.252 4.340 0.001 0.000 0.209 674 L C 2.920 179.794 176.870 0.006 0.000 1.083 674 L CA 1.269 56.083 54.840 -0.043 0.000 0.752 674 L CB -0.473 41.501 42.059 -0.141 0.000 0.899 674 L HN 0.107 nan 8.230 nan 0.000 0.433 675 R N 0.393 120.891 120.500 -0.003 0.000 2.159 675 R HA -0.085 4.256 4.340 0.001 0.000 0.237 675 R C 1.175 177.496 176.300 0.035 0.000 1.131 675 R CA 0.935 57.044 56.100 0.015 0.000 0.982 675 R CB -0.150 30.149 30.300 -0.002 0.000 0.868 675 R HN 0.362 nan 8.270 nan 0.000 0.453 676 N N 0.147 118.879 118.700 0.054 0.000 2.327 676 N HA 0.008 4.749 4.740 0.001 0.000 0.231 676 N C -0.588 174.958 175.510 0.059 0.000 1.130 676 N CA 0.417 53.507 53.050 0.065 0.000 0.845 676 N CB 0.982 39.525 38.487 0.092 0.000 1.073 676 N HN 0.243 nan 8.380 nan 0.000 0.496 677 T N -2.661 111.913 114.554 0.033 0.000 2.900 677 T HA 0.254 4.605 4.350 0.001 0.000 0.303 677 T C -0.680 174.003 174.700 -0.029 0.000 1.142 677 T CA -0.948 61.135 62.100 -0.029 0.000 1.007 677 T CB 2.009 70.868 68.868 -0.014 0.000 1.156 677 T HN -0.122 nan 8.240 nan 0.000 0.490 678 N N 3.566 122.231 118.700 -0.059 0.000 2.399 678 N HA 0.345 5.086 4.740 0.001 0.000 0.259 678 N C -2.344 173.147 175.510 -0.031 0.000 1.160 678 N CA -1.674 51.355 53.050 -0.035 0.000 0.946 678 N CB 0.549 39.008 38.487 -0.047 0.000 1.156 678 N HN 0.445 nan 8.380 nan 0.000 0.489 679 P HA 0.191 nan 4.420 nan 0.000 0.278 679 P C -1.214 176.062 177.300 -0.040 0.000 1.238 679 P CA -0.246 62.797 63.100 -0.095 0.000 0.794 679 P CB 0.874 32.504 31.700 -0.115 0.000 0.955 680 N N 2.259 120.882 118.700 -0.127 0.000 2.577 680 N HA 0.236 4.977 4.740 0.001 0.000 0.275 680 N C -0.996 174.503 175.510 -0.018 0.000 1.091 680 N CA -0.257 52.814 53.050 0.035 0.000 0.843 680 N CB 0.740 39.254 38.487 0.045 0.000 1.295 680 N HN 0.268 nan 8.380 nan 0.000 0.530 681 F N 0.913 120.962 119.950 0.165 0.000 2.412 681 F HA 0.300 4.828 4.527 0.001 0.000 0.348 681 F C 0.814 176.732 175.800 0.196 0.000 1.102 681 F CA -0.498 57.603 58.000 0.168 0.000 1.196 681 F CB 1.073 40.195 39.000 0.203 0.000 1.144 681 F HN 0.014 nan 8.300 nan 0.000 0.541 682 V N 5.087 125.166 119.914 0.276 0.000 2.376 682 V HA 0.421 4.542 4.120 0.001 0.000 0.287 682 V C -0.441 175.758 176.094 0.175 0.000 1.015 682 V CA -1.004 61.435 62.300 0.231 0.000 0.834 682 V CB 1.380 33.304 31.823 0.169 0.000 1.001 682 V HN 0.528 nan 8.190 nan 0.000 0.428 683 R N 3.295 123.896 120.500 0.169 0.000 2.204 683 R HA 0.387 4.728 4.340 0.001 0.000 0.341 683 R C -0.723 175.584 176.300 0.013 0.000 1.035 683 R CA -0.343 55.792 56.100 0.059 0.000 0.887 683 R CB 0.593 30.913 30.300 0.033 0.000 1.114 683 R HN 0.590 nan 8.270 nan 0.000 0.473 684 C N 4.740 124.030 119.300 -0.015 0.000 2.373 684 C HA 0.421 4.882 4.460 0.001 0.000 0.354 684 C C 0.767 175.706 174.990 -0.086 0.000 1.249 684 C CA -0.853 58.128 59.018 -0.062 0.000 1.784 684 C CB -0.509 27.201 27.740 -0.051 0.000 2.408 684 C HN 0.568 nan 8.230 nan 0.000 0.542 685 I N 3.997 124.487 120.570 -0.134 0.000 2.385 685 I HA 0.400 4.571 4.170 0.001 0.000 0.294 685 I C 0.208 176.213 176.117 -0.186 0.000 0.988 685 I CA -0.964 60.245 61.300 -0.151 0.000 1.265 685 I CB 1.167 39.054 38.000 -0.190 0.000 1.388 685 I HN 0.601 nan 8.210 nan 0.000 0.480 686 I N 8.714 129.200 120.570 -0.140 0.000 2.331 686 I HA 0.294 4.464 4.170 0.001 0.000 0.292 686 I C -1.385 174.637 176.117 -0.159 0.000 0.998 686 I CA -1.771 59.453 61.300 -0.126 0.000 1.267 686 I CB 1.861 39.863 38.000 0.003 0.000 1.386 686 I HN 0.364 nan 8.210 nan 0.000 0.476 687 P HA -0.031 nan 4.420 nan 0.000 0.217 687 P C -0.819 176.428 177.300 -0.088 0.000 1.154 687 P CA 1.096 64.082 63.100 -0.190 0.000 0.841 687 P CB -0.066 31.520 31.700 -0.190 0.000 0.788 688 N N -2.598 116.117 118.700 0.024 0.000 2.972 688 N HA 0.164 4.905 4.740 0.001 0.000 0.262 688 N C -0.269 175.279 175.510 0.064 0.000 1.478 688 N CA -0.832 52.211 53.050 -0.011 0.000 0.841 688 N CB -0.075 38.462 38.487 0.084 0.000 1.512 688 N HN -0.158 nan 8.380 nan 0.000 0.548 689 H N -1.949 117.169 119.070 0.080 0.000 2.542 689 H HA 0.299 4.856 4.556 0.002 0.000 0.283 689 H C -0.426 174.920 175.328 0.030 0.000 1.059 689 H CA -0.051 56.035 56.048 0.063 0.000 1.162 689 H CB 0.697 30.483 29.762 0.040 0.000 1.539 689 H HN 0.559 nan 8.280 nan 0.000 0.543 690 E N 0.761 121.032 120.200 0.118 0.000 2.496 690 E HA 0.070 4.421 4.350 0.001 0.000 0.200 690 E C -0.001 176.534 176.600 -0.109 0.000 1.016 690 E CA -0.111 56.300 56.400 0.018 0.000 0.962 690 E CB 0.305 30.019 29.700 0.022 0.000 1.071 690 E HN 0.179 nan 8.360 nan 0.000 0.457 691 K N 0.394 120.668 120.400 -0.211 0.000 2.948 691 K HA -0.302 4.019 4.320 0.001 0.000 0.253 691 K C 0.114 176.251 176.600 -0.773 0.000 0.970 691 K CA 0.503 56.322 56.287 -0.781 0.000 0.716 691 K CB -1.215 31.002 32.500 -0.472 0.000 1.249 691 K HN 0.161 nan 8.250 nan 0.000 0.483 692 R N 0.392 120.697 120.500 -0.324 0.000 2.368 692 R HA 0.476 4.817 4.340 0.001 0.000 0.302 692 R C -0.368 176.014 176.300 0.136 0.000 1.002 692 R CA -0.030 56.021 56.100 -0.082 0.000 0.929 692 R CB 1.085 31.395 30.300 0.016 0.000 1.073 692 R HN 0.245 nan 8.270 nan 0.000 0.464 693 A N 1.860 124.765 122.820 0.142 0.000 2.310 693 A HA 0.514 4.835 4.320 0.001 0.000 0.299 693 A C 0.855 178.547 177.584 0.180 0.000 1.147 693 A CA 0.228 52.400 52.037 0.226 0.000 0.818 693 A CB 0.855 19.952 19.000 0.161 0.000 1.096 693 A HN 0.985 nan 8.150 nan 0.000 0.495 694 G N 0.743 109.658 108.800 0.193 0.000 2.143 694 G HA2 -0.226 3.735 3.960 0.001 0.000 0.249 694 G HA3 -0.226 3.735 3.960 0.001 0.000 0.249 694 G C 0.214 175.372 174.900 0.429 0.000 0.981 694 G CA 0.758 46.011 45.100 0.255 0.000 0.665 694 G HN 0.936 nan 8.290 nan 0.000 0.528 695 K N 0.395 121.012 120.400 0.363 0.000 2.473 695 K HA 0.593 4.914 4.320 0.001 0.000 0.246 695 K C -0.340 176.431 176.600 0.285 0.000 1.011 695 K CA -0.875 55.601 56.287 0.316 0.000 0.984 695 K CB 0.382 32.998 32.500 0.192 0.000 1.250 695 K HN 0.184 nan 8.250 nan 0.000 0.454 696 L N 4.283 125.715 121.223 0.348 0.000 2.268 696 L HA 0.200 4.541 4.340 0.001 0.000 0.289 696 L C -0.260 176.667 176.870 0.095 0.000 1.064 696 L CA -0.396 54.508 54.840 0.107 0.000 0.824 696 L CB 0.713 42.761 42.059 -0.019 0.000 1.202 696 L HN 0.603 nan 8.230 nan 0.000 0.433 697 D N 4.545 124.949 120.400 0.007 0.000 2.455 697 D HA 0.103 4.744 4.640 0.001 0.000 0.234 697 D C 1.155 177.443 176.300 -0.021 0.000 1.224 697 D CA 0.408 54.408 54.000 0.001 0.000 0.999 697 D CB 1.440 42.204 40.800 -0.059 0.000 1.072 697 D HN 0.706 nan 8.370 nan 0.000 0.514 698 A N 3.887 126.713 122.820 0.009 0.000 1.969 698 A HA -0.302 4.019 4.320 0.001 0.000 0.223 698 A C 1.678 179.161 177.584 -0.168 0.000 1.218 698 A CA 1.912 53.910 52.037 -0.064 0.000 0.667 698 A CB -0.720 18.254 19.000 -0.044 0.000 0.826 698 A HN 0.740 nan 8.150 nan 0.000 0.472 699 H N -2.133 116.908 119.070 -0.048 0.000 2.448 699 H HA 0.095 4.652 4.556 0.001 0.000 0.292 699 H C 1.849 177.135 175.328 -0.069 0.000 1.035 699 H CA 1.096 57.108 56.048 -0.060 0.000 1.349 699 H CB -0.036 29.685 29.762 -0.068 0.000 1.425 699 H HN 0.424 nan 8.280 nan 0.000 0.539 700 L N 0.233 121.459 121.223 0.004 0.000 2.093 700 L HA -0.097 4.244 4.340 0.001 0.000 0.208 700 L C 1.834 178.650 176.870 -0.090 0.000 1.085 700 L CA 1.165 55.954 54.840 -0.084 0.000 0.755 700 L CB -0.492 41.426 42.059 -0.235 0.000 0.904 700 L HN 0.086 nan 8.230 nan 0.000 0.435 701 V N -0.549 119.304 119.914 -0.102 0.000 2.307 701 V HA -0.261 3.860 4.120 0.001 0.000 0.245 701 V C 2.581 178.627 176.094 -0.079 0.000 1.045 701 V CA 1.877 64.107 62.300 -0.117 0.000 1.024 701 V CB -0.411 31.322 31.823 -0.149 0.000 0.651 701 V HN 0.422 nan 8.190 nan 0.000 0.449 702 L N 0.233 121.417 121.223 -0.065 0.000 2.012 702 L HA -0.226 4.115 4.340 0.001 0.000 0.210 702 L C 2.984 179.852 176.870 -0.003 0.000 1.073 702 L CA 2.331 57.155 54.840 -0.027 0.000 0.748 702 L CB -0.811 41.227 42.059 -0.036 0.000 0.891 702 L HN 0.544 nan 8.230 nan 0.000 0.431 703 E N -0.379 119.821 120.200 -0.000 0.000 2.085 703 E HA -0.310 4.041 4.350 0.001 0.000 0.194 703 E C 1.963 178.548 176.600 -0.025 0.000 0.994 703 E CA 1.750 58.150 56.400 -0.000 0.000 0.801 703 E CB -0.751 28.950 29.700 0.002 0.000 0.743 703 E HN 0.675 nan 8.360 nan 0.000 0.453 704 Q N -0.397 119.378 119.800 -0.042 0.000 2.050 704 Q HA 0.002 4.343 4.340 0.001 0.000 0.202 704 Q C 2.568 178.544 176.000 -0.040 0.000 0.980 704 Q CA 1.408 57.178 55.803 -0.054 0.000 0.840 704 Q CB -0.245 28.452 28.738 -0.068 0.000 0.898 704 Q HN 0.546 nan 8.270 nan 0.000 0.424 705 L N 0.406 121.610 121.223 -0.032 0.000 2.187 705 L HA -0.222 4.119 4.340 0.001 0.000 0.213 705 L C 2.497 179.375 176.870 0.014 0.000 1.100 705 L CA 1.112 55.946 54.840 -0.009 0.000 0.765 705 L CB -0.459 41.596 42.059 -0.006 0.000 0.904 705 L HN 0.240 nan 8.230 nan 0.000 0.437 706 R N 0.130 120.639 120.500 0.016 0.000 2.056 706 R HA -0.134 4.207 4.340 0.001 0.000 0.227 706 R C 2.440 178.768 176.300 0.046 0.000 1.149 706 R CA 1.846 57.969 56.100 0.037 0.000 0.937 706 R CB -0.836 29.486 30.300 0.036 0.000 0.835 706 R HN 0.554 nan 8.270 nan 0.000 0.430 707 C N 0.051 119.373 119.300 0.037 0.000 2.491 707 C HA 0.127 4.588 4.460 0.001 0.000 0.277 707 C C 1.532 176.583 174.990 0.101 0.000 1.455 707 C CA -0.119 58.960 59.018 0.102 0.000 1.758 707 C CB -1.394 26.395 27.740 0.081 0.000 1.745 707 C HN 0.384 nan 8.230 nan 0.000 0.558 708 N N 0.919 119.610 118.700 -0.016 0.000 2.353 708 N HA 0.196 4.937 4.740 0.001 0.000 0.185 708 N C 1.533 176.877 175.510 -0.277 0.000 1.098 708 N CA 0.641 53.566 53.050 -0.209 0.000 0.872 708 N CB 0.034 38.378 38.487 -0.239 0.000 0.970 708 N HN 0.727 nan 8.380 nan 0.000 0.467 709 G N 1.220 110.024 108.800 0.006 0.000 2.168 709 G HA2 -0.288 3.673 3.960 0.001 0.000 0.257 709 G HA3 -0.288 3.673 3.960 0.001 0.000 0.257 709 G C 0.993 176.041 174.900 0.247 0.000 0.997 709 G CA 0.499 45.725 45.100 0.211 0.000 0.708 709 G HN 0.186 nan 8.290 nan 0.000 0.520 710 V N -0.051 119.938 119.914 0.125 0.000 2.317 710 V HA -0.263 3.858 4.120 0.001 0.000 0.251 710 V C 2.887 179.221 176.094 0.400 0.000 1.065 710 V CA 2.537 65.044 62.300 0.345 0.000 1.049 710 V CB -0.465 31.510 31.823 0.252 0.000 0.651 710 V HN 0.517 nan 8.190 nan 0.000 0.450 711 L N -0.728 120.633 121.223 0.229 0.000 2.072 711 L HA -0.154 4.187 4.340 0.001 0.000 0.205 711 L C 2.561 179.559 176.870 0.213 0.000 1.079 711 L CA 1.417 56.364 54.840 0.178 0.000 0.752 711 L CB -0.326 41.794 42.059 0.102 0.000 0.906 711 L HN 0.321 nan 8.230 nan 0.000 0.436 712 E N -0.309 120.028 120.200 0.228 0.000 2.150 712 E HA -0.129 4.222 4.350 0.001 0.000 0.193 712 E C 2.097 178.874 176.600 0.295 0.000 0.985 712 E CA 1.042 57.541 56.400 0.166 0.000 0.814 712 E CB -0.379 29.278 29.700 -0.072 0.000 0.752 712 E HN 0.443 nan 8.360 nan 0.000 0.466 713 G N 0.215 109.326 108.800 0.518 0.000 2.471 713 G HA2 -0.158 3.802 3.960 0.001 0.000 0.219 713 G HA3 -0.158 3.802 3.960 0.001 0.000 0.219 713 G C 1.476 176.669 174.900 0.488 0.000 1.125 713 G CA 0.426 45.845 45.100 0.533 0.000 0.775 713 G HN 0.192 nan 8.290 nan 0.000 0.548 714 I N -0.549 120.227 120.570 0.344 0.000 2.867 714 I HA 0.054 4.225 4.170 0.001 0.000 0.265 714 I C 2.761 178.955 176.117 0.130 0.000 1.162 714 I CA -0.027 61.365 61.300 0.154 0.000 1.471 714 I CB -0.030 38.020 38.000 0.083 0.000 1.123 714 I HN -0.039 nan 8.210 nan 0.000 0.440 715 R N 0.793 121.393 120.500 0.167 0.000 2.070 715 R HA -0.149 4.192 4.340 0.001 0.000 0.233 715 R C 2.291 178.729 176.300 0.230 0.000 1.137 715 R CA 1.382 57.605 56.100 0.205 0.000 0.945 715 R CB -0.924 29.572 30.300 0.325 0.000 0.845 715 R HN 0.241 nan 8.270 nan 0.000 0.430 716 I N 1.056 121.717 120.570 0.151 0.000 2.335 716 I HA -0.252 3.919 4.170 0.001 0.000 0.251 716 I C 1.899 178.087 176.117 0.118 0.000 1.129 716 I CA 1.042 62.428 61.300 0.144 0.000 1.402 716 I CB -0.330 37.525 38.000 -0.241 0.000 1.069 716 I HN 0.124 nan 8.210 nan 0.000 0.424 717 C N 0.013 119.362 119.300 0.081 0.000 2.456 717 C HA -0.009 4.452 4.460 0.001 0.000 0.279 717 C C 2.705 177.722 174.990 0.044 0.000 1.427 717 C CA 0.539 59.593 59.018 0.061 0.000 1.778 717 C CB -1.450 26.320 27.740 0.050 0.000 1.842 717 C HN 0.465 nan 8.230 nan 0.000 0.531 718 R N -0.389 120.146 120.500 0.058 0.000 2.072 718 R HA 0.022 4.363 4.340 0.001 0.000 0.214 718 R C 2.192 178.489 176.300 -0.005 0.000 1.168 718 R CA 0.596 56.711 56.100 0.025 0.000 1.020 718 R CB -0.351 29.974 30.300 0.042 0.000 0.914 718 R HN 0.356 nan 8.270 nan 0.000 0.449 719 Q N 0.013 119.867 119.800 0.090 0.000 2.364 719 Q HA -0.015 4.326 4.340 0.001 0.000 0.209 719 Q C 0.789 176.883 176.000 0.157 0.000 0.977 719 Q CA 1.282 57.167 55.803 0.137 0.000 0.885 719 Q CB 0.230 29.133 28.738 0.276 0.000 0.941 719 Q HN 0.340 nan 8.270 nan 0.000 0.464 720 G N -1.402 107.400 108.800 0.004 0.000 3.008 720 G HA2 0.502 4.463 3.960 0.001 0.000 0.181 720 G HA3 0.502 4.463 3.960 0.001 0.000 0.181 720 G C -1.144 173.334 174.900 -0.703 0.000 1.309 720 G CA -0.726 44.172 45.100 -0.336 0.000 1.009 720 G HN 0.114 nan 8.290 nan 0.000 0.584 721 F N 1.104 121.063 119.950 0.014 0.000 2.676 721 F HA 0.363 4.891 4.527 0.001 0.000 0.371 721 F C -1.540 174.438 175.800 0.295 0.000 1.141 721 F CA -1.999 56.091 58.000 0.150 0.000 1.133 721 F CB 2.156 41.220 39.000 0.107 0.000 1.376 721 F HN 0.175 nan 8.300 nan 0.000 0.491 722 P HA -0.132 nan 4.420 nan 0.000 0.214 722 P C -0.194 177.230 177.300 0.206 0.000 1.163 722 P CA 1.303 64.528 63.100 0.208 0.000 0.883 722 P CB 0.246 32.021 31.700 0.125 0.000 0.788 723 N N 1.552 120.389 118.700 0.227 0.000 2.513 723 N HA 0.213 4.954 4.740 0.001 0.000 0.274 723 N C 0.514 176.141 175.510 0.194 0.000 1.189 723 N CA 0.031 53.199 53.050 0.197 0.000 0.975 723 N CB 0.461 39.083 38.487 0.224 0.000 1.157 723 N HN 0.283 nan 8.380 nan 0.000 0.465 724 R N -0.378 120.156 120.500 0.057 0.000 2.725 724 R HA 0.389 4.729 4.340 0.001 0.000 0.276 724 R C -1.238 174.974 176.300 -0.147 0.000 1.189 724 R CA -0.636 55.340 56.100 -0.206 0.000 1.083 724 R CB -0.201 29.653 30.300 -0.743 0.000 1.262 724 R HN 0.655 nan 8.270 nan 0.000 0.415 725 I N 0.101 120.657 120.570 -0.023 0.000 2.693 725 I HA 0.672 4.843 4.170 0.001 0.000 0.303 725 I C 0.430 176.483 176.117 -0.107 0.000 1.025 725 I CA -1.471 59.832 61.300 0.004 0.000 1.086 725 I CB 2.215 40.335 38.000 0.200 0.000 1.268 725 I HN 0.460 nan 8.210 nan 0.000 0.440 726 V N 2.036 121.871 119.914 -0.132 0.000 2.715 726 V HA 0.162 4.282 4.120 0.001 0.000 0.299 726 V C 1.102 177.154 176.094 -0.071 0.000 1.054 726 V CA -0.010 62.136 62.300 -0.256 0.000 1.077 726 V CB 0.226 31.941 31.823 -0.180 0.000 0.972 726 V HN 0.819 nan 8.190 nan 0.000 0.484 727 F N 1.319 121.294 119.950 0.041 0.000 2.037 727 F HA -0.259 4.269 4.527 0.002 0.000 0.296 727 F C 2.642 178.514 175.800 0.120 0.000 1.132 727 F CA 2.581 60.626 58.000 0.074 0.000 1.211 727 F CB -1.313 37.699 39.000 0.020 0.000 0.951 727 F HN 0.739 nan 8.300 nan 0.000 0.503 728 Q N -0.145 119.808 119.800 0.253 0.000 2.082 728 Q HA -0.297 4.044 4.340 0.001 0.000 0.211 728 Q C 2.359 178.423 176.000 0.107 0.000 1.002 728 Q CA 2.250 58.139 55.803 0.143 0.000 0.868 728 Q CB -0.380 28.411 28.738 0.088 0.000 0.931 728 Q HN 0.545 nan 8.270 nan 0.000 0.414 729 E N -0.736 119.517 120.200 0.088 0.000 2.085 729 E HA -0.211 4.140 4.350 0.001 0.000 0.194 729 E C 1.782 178.421 176.600 0.065 0.000 0.994 729 E CA 1.197 57.621 56.400 0.039 0.000 0.801 729 E CB -0.204 29.514 29.700 0.029 0.000 0.743 729 E HN 0.377 nan 8.360 nan 0.000 0.453 730 F N 1.523 121.521 119.950 0.081 0.000 2.134 730 F HA -0.184 4.343 4.527 0.001 0.000 0.299 730 F C 2.473 178.359 175.800 0.143 0.000 1.097 730 F CA 1.344 59.461 58.000 0.196 0.000 1.264 730 F CB -0.095 39.084 39.000 0.298 0.000 1.001 730 F HN -0.120 nan 8.300 nan 0.000 0.479 731 R N 0.951 121.567 120.500 0.194 0.000 2.080 731 R HA -0.199 4.142 4.340 0.001 0.000 0.236 731 R C 2.218 178.472 176.300 -0.077 0.000 1.137 731 R CA 2.431 58.568 56.100 0.063 0.000 0.943 731 R CB -0.823 29.537 30.300 0.101 0.000 0.846 731 R HN 0.583 nan 8.270 nan 0.000 0.431 732 Q N -0.699 119.050 119.800 -0.085 0.000 2.046 732 Q HA -0.126 4.215 4.340 0.001 0.000 0.200 732 Q C 2.278 178.135 176.000 -0.238 0.000 0.975 732 Q CA 1.121 56.849 55.803 -0.126 0.000 0.836 732 Q CB -0.431 28.251 28.738 -0.093 0.000 0.896 732 Q HN 0.185 nan 8.270 nan 0.000 0.428 733 R N 0.114 120.378 120.500 -0.393 0.000 2.081 733 R HA -0.134 4.207 4.340 0.001 0.000 0.235 733 R C 0.663 176.484 176.300 -0.797 0.000 1.131 733 R CA 1.582 57.267 56.100 -0.691 0.000 0.960 733 R CB 0.087 29.746 30.300 -1.069 0.000 0.856 733 R HN 0.371 nan 8.270 nan 0.000 0.436 734 Y N -0.991 119.096 120.300 -0.355 0.000 2.660 734 Y HA 0.217 4.768 4.550 0.001 0.000 0.254 734 Y C 1.234 176.963 175.900 -0.286 0.000 1.176 734 Y CA -0.337 57.538 58.100 -0.375 0.000 1.195 734 Y CB 0.272 38.363 38.460 -0.615 0.000 1.190 734 Y HN 0.117 nan 8.280 nan 0.000 0.535 735 E N 1.883 122.010 120.200 -0.122 0.000 2.153 735 E HA -0.189 4.162 4.350 0.001 0.000 0.194 735 E C 2.230 178.807 176.600 -0.038 0.000 0.988 735 E CA 1.750 58.111 56.400 -0.064 0.000 0.811 735 E CB -0.290 29.376 29.700 -0.055 0.000 0.746 735 E HN 0.466 nan 8.360 nan 0.000 0.466 736 I N 0.377 120.920 120.570 -0.045 0.000 2.454 736 I HA -0.094 4.077 4.170 0.001 0.000 0.254 736 I C 2.324 178.436 176.117 -0.008 0.000 1.156 736 I CA 1.499 62.783 61.300 -0.026 0.000 1.433 736 I CB -1.093 36.888 38.000 -0.033 0.000 1.082 736 I HN 0.258 nan 8.210 nan 0.000 0.432 737 L N -0.072 121.152 121.223 0.002 0.000 2.478 737 L HA 0.280 4.621 4.340 0.001 0.000 0.223 737 L C 1.541 178.415 176.870 0.007 0.000 1.140 737 L CA 0.985 55.831 54.840 0.010 0.000 0.842 737 L CB -0.269 41.798 42.059 0.015 0.000 0.953 737 L HN 0.568 nan 8.230 nan 0.000 0.452 738 A N -0.911 121.911 122.820 0.003 0.000 3.453 738 A HA 0.628 4.949 4.320 0.001 0.000 0.262 738 A C 1.045 178.632 177.584 0.004 0.000 1.026 738 A CA 0.164 52.207 52.037 0.010 0.000 0.938 738 A CB 0.223 19.237 19.000 0.023 0.000 1.246 738 A HN 0.107 nan 8.150 nan 0.000 0.546 739 A N 1.113 123.932 122.820 -0.001 0.000 1.917 739 A HA -0.168 4.153 4.320 0.001 0.000 0.219 739 A C 1.321 178.904 177.584 -0.001 0.000 1.182 739 A CA 1.730 53.764 52.037 -0.004 0.000 0.633 739 A CB -0.390 18.607 19.000 -0.004 0.000 0.819 739 A HN 0.648 nan 8.150 nan 0.000 0.448 740 N N -0.054 118.648 118.700 0.002 0.000 2.346 740 N HA 0.294 5.035 4.740 0.001 0.000 0.225 740 N C 1.061 176.574 175.510 0.005 0.000 1.144 740 N CA 0.718 53.770 53.050 0.003 0.000 0.837 740 N CB 0.391 38.880 38.487 0.004 0.000 1.069 740 N HN 0.513 nan 8.380 nan 0.000 0.487 741 A N 0.472 123.296 122.820 0.006 0.000 1.871 741 A HA 0.155 4.476 4.320 0.001 0.000 0.211 741 A C 0.911 178.497 177.584 0.003 0.000 1.207 741 A CA 0.656 52.699 52.037 0.011 0.000 0.620 741 A CB 0.097 19.110 19.000 0.022 0.000 0.860 741 A HN 0.132 nan 8.150 nan 0.000 0.450 742 I N 0.798 121.366 120.570 -0.004 0.000 2.566 742 I HA 0.372 4.543 4.170 0.001 0.000 0.303 742 I C -2.128 173.979 176.117 -0.017 0.000 0.983 742 I CA -2.484 58.806 61.300 -0.018 0.000 1.235 742 I CB 1.052 39.036 38.000 -0.027 0.000 1.386 742 I HN 0.086 nan 8.210 nan 0.000 0.494 743 P HA 0.177 nan 4.420 nan 0.000 0.269 743 P C -0.837 176.461 177.300 -0.003 0.000 1.209 743 P CA -0.453 62.641 63.100 -0.010 0.000 0.776 743 P CB 0.046 31.739 31.700 -0.012 0.000 0.876 744 K N 1.563 121.967 120.400 0.007 0.000 2.228 744 K HA 0.535 4.856 4.320 0.001 0.000 0.284 744 K C 0.796 177.414 176.600 0.030 0.000 1.088 744 K CA 0.299 56.594 56.287 0.015 0.000 0.941 744 K CB -0.718 31.791 32.500 0.014 0.000 1.158 744 K HN 0.929 nan 8.250 nan 0.000 0.438 745 G N 0.759 109.583 108.800 0.040 0.000 2.233 745 G HA2 0.167 4.128 3.960 0.001 0.000 0.162 745 G HA3 0.167 4.128 3.960 0.001 0.000 0.162 745 G C -1.220 173.750 174.900 0.118 0.000 1.327 745 G CA -0.418 44.731 45.100 0.082 0.000 1.187 745 G HN 1.101 nan 8.290 nan 0.000 0.479 746 F N 1.582 121.534 119.950 0.003 0.000 2.445 746 F HA 0.819 5.347 4.527 0.001 0.000 0.359 746 F C 0.243 176.044 175.800 0.002 0.000 1.101 746 F CA -0.577 57.425 58.000 0.004 0.000 1.177 746 F CB 1.339 40.340 39.000 0.003 0.000 1.110 746 F HN 0.452 nan 8.300 nan 0.000 0.522 747 M N 7.609 126.815 119.600 -0.657 0.000 2.090 747 M HA 0.211 4.692 4.480 0.001 0.000 0.277 747 M C -1.157 174.727 176.300 -0.693 0.000 0.935 747 M CA -0.793 54.181 55.300 -0.544 0.000 0.966 747 M CB 0.563 33.019 32.600 -0.239 0.000 1.635 747 M HN 0.640 nan 8.290 nan 0.000 0.446 748 D N 3.182 123.143 120.400 -0.731 0.000 2.548 748 D HA 0.016 4.656 4.640 0.001 0.000 0.231 748 D C 1.016 177.153 176.300 -0.272 0.000 1.142 748 D CA 1.072 54.795 54.000 -0.461 0.000 0.866 748 D CB 1.002 41.654 40.800 -0.247 0.000 1.190 748 D HN 0.792 nan 8.370 nan 0.000 0.469 749 G N 3.609 112.321 108.800 -0.147 0.000 2.574 749 G HA2 -0.369 3.592 3.960 0.001 0.000 0.220 749 G HA3 -0.369 3.592 3.960 0.001 0.000 0.220 749 G C 1.405 176.160 174.900 -0.241 0.000 1.173 749 G CA 1.136 46.222 45.100 -0.024 0.000 0.772 749 G HN 0.633 nan 8.290 nan 0.000 0.585 750 K N -0.461 119.581 120.400 -0.598 0.000 1.973 750 K HA -0.112 4.209 4.320 0.001 0.000 0.212 750 K C 2.798 179.096 176.600 -0.503 0.000 1.047 750 K CA 1.519 57.172 56.287 -1.057 0.000 0.937 750 K CB -0.258 31.710 32.500 -0.886 0.000 0.721 750 K HN 0.211 nan 8.250 nan 0.000 0.440 751 Q N -0.186 119.421 119.800 -0.321 0.000 2.181 751 Q HA -0.115 4.226 4.340 0.001 0.000 0.205 751 Q C 1.934 177.839 176.000 -0.158 0.000 0.980 751 Q CA 1.385 57.065 55.803 -0.205 0.000 0.862 751 Q CB -0.384 28.259 28.738 -0.158 0.000 0.905 751 Q HN 0.355 nan 8.270 nan 0.000 0.429 752 A N 0.150 122.875 122.820 -0.160 0.000 1.898 752 A HA -0.155 4.166 4.320 0.001 0.000 0.216 752 A C 2.539 180.119 177.584 -0.008 0.000 1.181 752 A CA 1.313 53.300 52.037 -0.082 0.000 0.620 752 A CB -0.917 18.035 19.000 -0.079 0.000 0.819 752 A HN 0.446 nan 8.150 nan 0.000 0.442 753 C N -0.943 118.350 119.300 -0.012 0.000 2.436 753 C HA -0.075 4.386 4.460 0.001 0.000 0.277 753 C C 2.503 177.479 174.990 -0.024 0.000 1.241 753 C CA 0.986 60.059 59.018 0.091 0.000 1.721 753 C CB -1.370 26.387 27.740 0.029 0.000 2.043 753 C HN 0.644 nan 8.230 nan 0.000 0.472 754 I N 0.511 120.999 120.570 -0.137 0.000 2.236 754 I HA -0.271 3.900 4.170 0.001 0.000 0.249 754 I C 2.389 178.471 176.117 -0.059 0.000 1.102 754 I CA 1.492 62.714 61.300 -0.131 0.000 1.365 754 I CB -0.230 37.688 38.000 -0.137 0.000 1.051 754 I HN 0.376 nan 8.210 nan 0.000 0.420 755 L N -0.876 120.326 121.223 -0.035 0.000 1.988 755 L HA -0.265 4.076 4.340 0.001 0.000 0.207 755 L C 2.614 179.502 176.870 0.030 0.000 1.071 755 L CA 1.758 56.594 54.840 -0.006 0.000 0.744 755 L CB -0.669 41.382 42.059 -0.013 0.000 0.893 755 L HN 0.284 nan 8.230 nan 0.000 0.433 756 M N -0.311 119.333 119.600 0.072 0.000 2.089 756 M HA -0.300 4.181 4.480 0.001 0.000 0.257 756 M C 2.299 178.684 176.300 0.141 0.000 1.071 756 M CA 1.995 57.370 55.300 0.125 0.000 1.096 756 M CB -0.330 32.404 32.600 0.223 0.000 1.330 756 M HN 0.165 nan 8.290 nan 0.000 0.403 757 I N 0.291 120.941 120.570 0.132 0.000 2.118 757 I HA -0.384 3.786 4.170 0.001 0.000 0.241 757 I C 2.923 179.076 176.117 0.060 0.000 1.070 757 I CA 2.154 63.485 61.300 0.052 0.000 1.327 757 I CB -0.653 37.204 38.000 -0.238 0.000 1.034 757 I HN 0.341 nan 8.210 nan 0.000 0.405 758 K N 0.738 121.162 120.400 0.040 0.000 2.032 758 K HA -0.143 4.178 4.320 0.001 0.000 0.209 758 K C 2.222 178.853 176.600 0.051 0.000 1.048 758 K CA 1.706 58.024 56.287 0.051 0.000 0.927 758 K CB -1.535 30.984 32.500 0.032 0.000 0.712 758 K HN 0.512 nan 8.250 nan 0.000 0.441 759 A N 0.666 123.515 122.820 0.047 0.000 1.978 759 A HA 0.050 4.371 4.320 0.001 0.000 0.220 759 A C 2.356 179.967 177.584 0.045 0.000 1.170 759 A CA 1.580 53.641 52.037 0.041 0.000 0.636 759 A CB -0.322 18.701 19.000 0.038 0.000 0.810 759 A HN 0.463 nan 8.150 nan 0.000 0.448 760 L N -1.166 120.094 121.223 0.062 0.000 2.492 760 L HA 0.052 4.392 4.340 0.001 0.000 0.223 760 L C 0.203 177.105 176.870 0.054 0.000 1.132 760 L CA 0.415 55.289 54.840 0.055 0.000 0.850 760 L CB -0.470 41.635 42.059 0.076 0.000 0.966 760 L HN 0.434 nan 8.230 nan 0.000 0.454 761 E N 0.393 120.633 120.200 0.067 0.000 2.416 761 E HA -0.211 4.140 4.350 0.001 0.000 0.249 761 E C -0.239 176.417 176.600 0.093 0.000 1.124 761 E CA 0.042 56.482 56.400 0.068 0.000 0.732 761 E CB -1.787 27.937 29.700 0.040 0.000 1.286 761 E HN 0.414 nan 8.360 nan 0.000 0.394 762 L N 1.279 122.596 121.223 0.157 0.000 2.410 762 L HA 0.104 4.445 4.340 0.001 0.000 0.273 762 L C 0.802 177.821 176.870 0.248 0.000 1.144 762 L CA -0.243 54.741 54.840 0.239 0.000 0.863 762 L CB 0.298 42.589 42.059 0.386 0.000 1.140 762 L HN 0.091 nan 8.230 nan 0.000 0.463 763 D N 6.444 126.926 120.400 0.136 0.000 2.450 763 D HA 0.014 4.655 4.640 0.001 0.000 0.247 763 D C -1.343 174.912 176.300 -0.075 0.000 1.162 763 D CA -1.458 52.568 54.000 0.044 0.000 0.879 763 D CB 1.082 41.893 40.800 0.019 0.000 1.163 763 D HN 0.225 nan 8.370 nan 0.000 0.472 764 P HA -0.214 nan 4.420 nan 0.000 0.219 764 P C 0.862 177.863 177.300 -0.498 0.000 1.144 764 P CA 0.930 63.721 63.100 -0.515 0.000 0.806 764 P CB 0.177 31.741 31.700 -0.228 0.000 0.771 765 N N 0.131 118.703 118.700 -0.213 0.000 2.331 765 N HA -0.079 4.661 4.740 0.001 0.000 0.180 765 N C 1.671 177.178 175.510 -0.006 0.000 1.019 765 N CA 0.656 53.656 53.050 -0.084 0.000 0.881 765 N CB -0.964 37.504 38.487 -0.032 0.000 0.972 765 N HN 0.101 nan 8.380 nan 0.000 0.435 766 L N -0.684 120.520 121.223 -0.031 0.000 2.465 766 L HA 0.014 4.355 4.340 0.001 0.000 0.224 766 L C -0.007 177.046 176.870 0.304 0.000 1.145 766 L CA 0.322 55.258 54.840 0.160 0.000 0.834 766 L CB -0.611 41.593 42.059 0.241 0.000 0.944 766 L HN 0.302 nan 8.230 nan 0.000 0.451 767 Y N -2.955 117.443 120.300 0.164 0.000 2.853 767 Y HA 0.754 5.305 4.550 0.001 0.000 0.326 767 Y C -0.904 174.827 175.900 -0.282 0.000 1.384 767 Y CA -2.078 55.963 58.100 -0.099 0.000 1.077 767 Y CB 1.062 39.274 38.460 -0.414 0.000 1.395 767 Y HN -0.293 nan 8.280 nan 0.000 0.451 768 R N 1.262 121.689 120.500 -0.120 0.000 2.604 768 R HA 0.474 4.815 4.340 0.001 0.000 0.270 768 R C -1.897 174.375 176.300 -0.047 0.000 1.052 768 R CA -0.751 55.221 56.100 -0.215 0.000 0.902 768 R CB 2.638 32.507 30.300 -0.718 0.000 1.233 768 R HN 0.755 nan 8.270 nan 0.000 0.455 769 I N 2.365 122.948 120.570 0.021 0.000 2.306 769 I HA 0.291 4.462 4.170 0.001 0.000 0.288 769 I C 1.105 177.302 176.117 0.132 0.000 1.036 769 I CA -0.106 61.242 61.300 0.081 0.000 1.221 769 I CB 0.868 38.892 38.000 0.041 0.000 1.385 769 I HN 0.648 nan 8.210 nan 0.000 0.472 770 G N 4.260 113.202 108.800 0.236 0.000 2.532 770 G HA2 0.227 4.188 3.960 0.001 0.000 0.291 770 G HA3 0.227 4.188 3.960 0.001 0.000 0.291 770 G C 0.517 175.576 174.900 0.264 0.000 1.349 770 G CA -0.126 45.111 45.100 0.227 0.000 1.038 770 G HN 0.544 nan 8.290 nan 0.000 0.518 771 Q N -0.862 119.051 119.800 0.189 0.000 2.014 771 Q HA -0.151 4.190 4.340 0.001 0.000 0.207 771 Q C 2.644 178.785 176.000 0.235 0.000 0.993 771 Q CA 2.940 58.856 55.803 0.188 0.000 0.850 771 Q CB -0.107 28.699 28.738 0.113 0.000 0.916 771 Q HN 0.579 nan 8.270 nan 0.000 0.417 772 S N -1.534 114.143 115.700 -0.038 0.000 2.559 772 S HA 0.223 4.694 4.470 0.001 0.000 0.226 772 S C -0.060 173.828 174.600 -1.187 0.000 1.000 772 S CA -0.464 57.500 58.200 -0.394 0.000 0.948 772 S CB 0.379 63.465 63.200 -0.190 0.000 0.870 772 S HN 0.278 nan 8.310 nan 0.000 0.497 773 K N 0.691 120.515 120.400 -0.960 0.000 2.555 773 K HA 0.529 4.850 4.320 0.001 0.000 0.279 773 K C -1.710 174.633 176.600 -0.429 0.000 0.986 773 K CA -0.939 54.797 56.287 -0.917 0.000 0.880 773 K CB 0.809 32.938 32.500 -0.618 0.000 1.474 773 K HN 0.164 nan 8.250 nan 0.000 0.433 774 I N 1.117 121.484 120.570 -0.340 0.000 2.353 774 I HA 0.332 4.503 4.170 0.001 0.000 0.293 774 I C -0.648 175.176 176.117 -0.488 0.000 0.992 774 I CA -0.913 60.188 61.300 -0.332 0.000 1.268 774 I CB 0.448 38.082 38.000 -0.610 0.000 1.387 774 I HN 0.333 nan 8.210 nan 0.000 0.478 775 F N 5.366 125.044 119.950 -0.454 0.000 2.408 775 F HA 0.498 5.025 4.527 0.001 0.000 0.344 775 F C -0.145 175.449 175.800 -0.343 0.000 1.112 775 F CA -0.237 57.597 58.000 -0.277 0.000 1.096 775 F CB 0.783 39.610 39.000 -0.288 0.000 1.129 775 F HN 0.182 nan 8.300 nan 0.000 0.486 776 F N 2.524 122.666 119.950 0.320 0.000 2.507 776 F HA 0.569 5.097 4.527 0.001 0.000 0.327 776 F C 0.588 176.607 175.800 0.365 0.000 1.068 776 F CA -1.127 57.070 58.000 0.328 0.000 0.965 776 F CB 1.060 40.170 39.000 0.183 0.000 1.192 776 F HN 0.232 nan 8.300 nan 0.000 0.476 777 R N 0.119 120.921 120.500 0.504 0.000 2.707 777 R HA 0.154 4.495 4.340 0.001 0.000 0.270 777 R C 0.211 176.633 176.300 0.204 0.000 1.083 777 R CA -0.276 55.964 56.100 0.234 0.000 1.182 777 R CB 0.544 30.925 30.300 0.135 0.000 1.084 777 R HN 0.751 nan 8.270 nan 0.000 0.528 778 T N -1.122 113.500 114.554 0.112 0.000 2.933 778 T HA 0.094 4.445 4.350 0.001 0.000 0.306 778 T C 1.191 175.947 174.700 0.093 0.000 1.045 778 T CA 0.930 63.088 62.100 0.097 0.000 1.143 778 T CB 0.156 69.061 68.868 0.061 0.000 1.003 778 T HN 0.756 nan 8.240 nan 0.000 0.540 779 G N 2.778 111.624 108.800 0.078 0.000 2.187 779 G HA2 -0.262 3.699 3.960 0.001 0.000 0.261 779 G HA3 -0.262 3.699 3.960 0.001 0.000 0.261 779 G C 0.784 175.709 174.900 0.042 0.000 1.000 779 G CA 0.450 45.581 45.100 0.053 0.000 0.718 779 G HN 0.896 nan 8.290 nan 0.000 0.519 780 V N 0.177 120.123 119.914 0.054 0.000 2.331 780 V HA 0.032 4.152 4.120 0.001 0.000 0.242 780 V C 2.840 178.841 176.094 -0.155 0.000 1.034 780 V CA 1.970 64.275 62.300 0.009 0.000 1.027 780 V CB -0.451 31.454 31.823 0.136 0.000 0.667 780 V HN 0.414 nan 8.190 nan 0.000 0.457 781 L N 0.138 121.217 121.223 -0.240 0.000 2.079 781 L HA -0.198 4.143 4.340 0.001 0.000 0.210 781 L C 2.712 179.461 176.870 -0.203 0.000 1.081 781 L CA 1.422 56.067 54.840 -0.325 0.000 0.752 781 L CB -0.769 41.192 42.059 -0.164 0.000 0.896 781 L HN 0.396 nan 8.230 nan 0.000 0.433 782 A N -0.435 122.283 122.820 -0.170 0.000 1.859 782 A HA -0.348 3.973 4.320 0.001 0.000 0.218 782 A C 2.283 179.650 177.584 -0.361 0.000 1.209 782 A CA 2.184 53.991 52.037 -0.384 0.000 0.639 782 A CB -1.148 17.697 19.000 -0.258 0.000 0.835 782 A HN 0.489 nan 8.150 nan 0.000 0.450 783 H N -0.009 118.909 119.070 -0.253 0.000 2.390 783 H HA -0.086 4.471 4.556 0.001 0.000 0.298 783 H C 1.993 177.209 175.328 -0.187 0.000 1.106 783 H CA 1.907 57.846 56.048 -0.182 0.000 1.297 783 H CB -0.339 29.356 29.762 -0.111 0.000 1.375 783 H HN 0.415 nan 8.280 nan 0.000 0.509 784 L N 0.179 121.364 121.223 -0.063 0.000 2.046 784 L HA -0.180 4.161 4.340 0.001 0.000 0.208 784 L C 2.668 179.497 176.870 -0.068 0.000 1.077 784 L CA 1.583 56.293 54.840 -0.216 0.000 0.747 784 L CB -0.286 41.318 42.059 -0.758 0.000 0.896 784 L HN 0.236 nan 8.230 nan 0.000 0.432 785 E N 0.460 120.644 120.200 -0.026 0.000 2.031 785 E HA -0.231 4.120 4.350 0.001 0.000 0.193 785 E C 1.997 178.618 176.600 0.035 0.000 0.994 785 E CA 1.391 57.854 56.400 0.106 0.000 0.800 785 E CB 0.028 29.795 29.700 0.112 0.000 0.752 785 E HN 0.347 nan 8.360 nan 0.000 0.447 786 E N -0.545 119.600 120.200 -0.092 0.000 2.097 786 E HA -0.282 4.069 4.350 0.001 0.000 0.196 786 E C 2.262 178.825 176.600 -0.062 0.000 1.000 786 E CA 1.654 57.999 56.400 -0.091 0.000 0.804 786 E CB -0.168 29.390 29.700 -0.237 0.000 0.740 786 E HN 0.475 nan 8.360 nan 0.000 0.454 787 E N 1.450 121.623 120.200 -0.046 0.000 2.106 787 E HA -0.169 4.182 4.350 0.001 0.000 0.192 787 E C 1.829 178.446 176.600 0.028 0.000 0.984 787 E CA 1.195 57.605 56.400 0.016 0.000 0.806 787 E CB -0.632 29.125 29.700 0.095 0.000 0.750 787 E HN 0.130 nan 8.360 nan 0.000 0.458 788 R N 0.417 120.946 120.500 0.049 0.000 2.159 788 R HA -0.058 4.283 4.340 0.001 0.000 0.237 788 R C 1.212 177.529 176.300 0.028 0.000 1.131 788 R CA 1.308 57.445 56.100 0.060 0.000 0.982 788 R CB -0.640 29.728 30.300 0.113 0.000 0.868 788 R HN 0.631 nan 8.270 nan 0.000 0.453 789 D N 0.000 120.413 120.400 0.022 0.000 6.856 789 D HA 0.000 4.641 4.640 0.001 0.000 0.175 789 D CA 0.000 54.007 54.000 0.011 0.000 0.868 789 D CB 0.000 40.810 40.800 0.016 0.000 0.688 789 D HN 0.000 nan 8.370 nan 0.000 0.683