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_D 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 -0.234 0.000 1.165 34 L CA 0.000 54.734 54.840 -0.176 0.000 0.813 34 L CB 0.000 41.937 42.059 -0.203 0.000 0.961 35 V N 2.327 122.065 119.914 -0.293 0.000 3.203 35 V HA 0.597 4.684 4.120 -0.054 0.000 0.305 35 V C -1.739 174.126 176.094 -0.383 0.000 1.361 35 V CA -0.649 61.468 62.300 -0.305 0.000 1.066 35 V CB 2.810 34.569 31.823 -0.106 0.000 1.085 35 V HN 0.739 nan 8.190 nan 0.000 0.456 36 W N 1.867 123.162 121.300 -0.009 0.000 2.329 36 W HA 0.678 5.306 4.660 -0.054 0.000 0.312 36 W C -0.396 176.205 176.519 0.137 0.000 1.054 36 W CA -0.787 56.578 57.345 0.034 0.000 1.245 36 W CB 1.844 31.259 29.460 -0.075 0.000 1.255 36 W HN 0.546 nan 8.180 nan 0.000 0.436 37 V N 2.408 122.599 119.914 0.463 0.000 2.715 37 V HA 0.668 4.756 4.120 -0.054 0.000 0.310 37 V C -2.283 174.030 176.094 0.366 0.000 1.054 37 V CA -3.382 59.126 62.300 0.347 0.000 0.928 37 V CB 1.464 33.402 31.823 0.192 0.000 1.007 37 V HN 0.261 nan 8.190 nan 0.000 0.437 38 P HA 0.231 nan 4.420 nan 0.000 0.269 38 P C -0.287 176.998 177.300 -0.026 0.000 1.217 38 P CA 0.463 63.496 63.100 -0.111 0.000 0.783 38 P CB 0.961 32.594 31.700 -0.112 0.000 0.898 39 S N -0.470 115.177 115.700 -0.089 0.000 2.565 39 S HA 0.236 4.673 4.470 -0.054 0.000 0.269 39 S C 0.544 175.185 174.600 0.068 0.000 1.153 39 S CA -0.596 57.627 58.200 0.038 0.000 0.835 39 S CB 1.446 64.746 63.200 0.167 0.000 1.122 39 S HN 0.386 nan 8.310 nan 0.000 0.462 40 E N 1.148 121.368 120.200 0.034 0.000 2.042 40 E HA 0.004 4.321 4.350 -0.054 0.000 0.189 40 E C 1.473 178.067 176.600 -0.009 0.000 0.974 40 E CA 0.603 57.007 56.400 0.007 0.000 0.806 40 E CB -0.026 29.636 29.700 -0.063 0.000 0.769 40 E HN 0.608 nan 8.360 nan 0.000 0.451 41 K N 0.540 120.818 120.400 -0.203 0.000 2.032 41 K HA -0.102 4.185 4.320 -0.054 0.000 0.209 41 K C 0.373 176.644 176.600 -0.548 0.000 1.048 41 K CA 1.302 57.298 56.287 -0.485 0.000 0.927 41 K CB -0.425 31.551 32.500 -0.872 0.000 0.712 41 K HN 0.330 nan 8.250 nan 0.000 0.441 42 H N -1.844 117.275 119.070 0.083 0.000 2.637 42 H HA 0.352 4.876 4.556 -0.054 0.000 0.363 42 H C 1.121 176.375 175.328 -0.123 0.000 1.131 42 H CA -0.342 55.717 56.048 0.018 0.000 1.183 42 H CB 1.627 31.433 29.762 0.073 0.000 1.637 42 H HN 0.058 nan 8.280 nan 0.000 0.531 43 G N 1.646 110.283 108.800 -0.273 0.000 2.606 43 G HA2 -0.233 3.695 3.960 -0.054 0.000 0.221 43 G HA3 -0.233 3.695 3.960 -0.054 0.000 0.221 43 G C -0.206 174.291 174.900 -0.673 0.000 1.152 43 G CA 1.239 45.949 45.100 -0.649 0.000 0.765 43 G HN 0.399 nan 8.290 nan 0.000 0.595 44 F N -1.989 117.942 119.950 -0.032 0.000 2.643 44 F HA 0.681 5.175 4.527 -0.054 0.000 0.314 44 F C -0.154 175.775 175.800 0.215 0.000 1.096 44 F CA -1.040 56.998 58.000 0.063 0.000 0.953 44 F CB 2.217 41.166 39.000 -0.085 0.000 1.345 44 F HN -0.053 nan 8.300 nan 0.000 0.468 45 E N 0.365 120.898 120.200 0.557 0.000 2.367 45 E HA 0.754 5.072 4.350 -0.054 0.000 0.273 45 E C -1.442 175.437 176.600 0.464 0.000 0.903 45 E CA -1.107 55.573 56.400 0.466 0.000 0.764 45 E CB 2.284 32.156 29.700 0.287 0.000 1.252 45 E HN 0.729 nan 8.360 nan 0.000 0.446 46 A N 1.713 124.645 122.820 0.187 0.000 2.366 46 A HA 0.700 4.987 4.320 -0.054 0.000 0.272 46 A C -0.682 176.842 177.584 -0.100 0.000 1.135 46 A CA 0.262 52.159 52.037 -0.234 0.000 0.804 46 A CB 0.505 19.266 19.000 -0.398 0.000 1.064 46 A HN 0.508 nan 8.150 nan 0.000 0.499 47 A N 2.213 124.957 122.820 -0.126 0.000 2.547 47 A HA 0.694 4.982 4.320 -0.054 0.000 0.297 47 A C -0.188 177.343 177.584 -0.088 0.000 1.056 47 A CA -0.470 51.532 52.037 -0.060 0.000 0.688 47 A CB 1.053 20.058 19.000 0.008 0.000 1.282 47 A HN 1.107 nan 8.150 nan 0.000 0.400 48 S N 2.729 118.389 115.700 -0.067 0.000 2.525 48 S HA 0.553 4.991 4.470 -0.054 0.000 0.278 48 S C 0.722 175.300 174.600 -0.038 0.000 1.234 48 S CA -0.734 57.428 58.200 -0.064 0.000 1.058 48 S CB 0.527 63.694 63.200 -0.056 0.000 0.983 48 S HN 0.538 nan 8.310 nan 0.000 0.495 57 V N 0.911 120.837 119.914 0.020 0.000 2.876 57 V HA 0.874 4.962 4.120 -0.054 0.000 0.312 57 V C -0.332 175.773 176.094 0.018 0.000 1.085 57 V CA -0.490 61.821 62.300 0.017 0.000 0.945 57 V CB 2.511 34.346 31.823 0.020 0.000 1.017 57 V HN 0.954 nan 8.190 nan 0.000 0.428 58 T N 3.507 118.069 114.554 0.013 0.000 2.864 58 T HA 0.571 4.889 4.350 -0.054 0.000 0.310 58 T C -0.272 174.434 174.700 0.010 0.000 1.040 58 T CA -0.319 61.788 62.100 0.013 0.000 0.977 58 T CB 1.151 70.025 68.868 0.009 0.000 0.976 58 T HN 0.715 nan 8.240 nan 0.000 0.459 59 V N -0.513 119.409 119.914 0.014 0.000 3.284 59 V HA 1.088 5.176 4.120 -0.054 0.000 0.309 59 V C -0.265 175.834 176.094 0.009 0.000 1.190 59 V CA -1.043 61.262 62.300 0.008 0.000 1.038 59 V CB 1.411 33.241 31.823 0.012 0.000 1.198 59 V HN 0.844 nan 8.190 nan 0.000 0.465 60 E N 1.088 121.290 120.200 0.003 0.000 2.283 60 E HA 0.621 4.938 4.350 -0.054 0.000 0.258 60 E C -0.684 175.919 176.600 0.005 0.000 0.893 60 E CA -0.799 55.604 56.400 0.005 0.000 0.798 60 E CB 1.081 30.781 29.700 -0.001 0.000 1.242 60 E HN 0.920 nan 8.360 nan 0.000 0.414 61 L N 1.323 122.557 121.223 0.020 0.000 2.525 61 L HA 0.316 4.623 4.340 -0.054 0.000 0.278 61 L C 2.316 179.194 176.870 0.013 0.000 1.218 61 L CA 0.682 55.538 54.840 0.027 0.000 0.878 61 L CB 0.192 42.282 42.059 0.052 0.000 1.127 61 L HN 0.900 nan 8.230 nan 0.000 0.492 62 Q N 2.492 122.293 119.800 0.001 0.000 2.311 62 Q HA -0.018 4.289 4.340 -0.054 0.000 0.203 62 Q C 1.942 177.946 176.000 0.005 0.000 0.954 62 Q CA 1.463 57.260 55.803 -0.010 0.000 0.885 62 Q CB -0.653 28.064 28.738 -0.036 0.000 0.963 62 Q HN 0.901 nan 8.270 nan 0.000 0.471 63 E N 0.514 120.728 120.200 0.022 0.000 2.022 63 E HA -0.061 4.256 4.350 -0.054 0.000 0.193 63 E C 2.152 178.775 176.600 0.038 0.000 0.969 63 E CA 1.487 57.907 56.400 0.032 0.000 0.834 63 E CB -1.553 28.180 29.700 0.054 0.000 0.798 63 E HN 0.916 nan 8.360 nan 0.000 0.467 64 N N -0.332 118.399 118.700 0.051 0.000 2.104 64 N HA 0.140 4.847 4.740 -0.054 0.000 0.190 64 N C 2.334 177.862 175.510 0.029 0.000 1.024 64 N CA 2.991 56.067 53.050 0.044 0.000 0.853 64 N CB -0.502 38.016 38.487 0.051 0.000 1.008 64 N HN 1.539 nan 8.380 nan 0.000 0.424 65 G N -2.231 106.584 108.800 0.026 0.000 2.299 65 G HA2 0.153 4.080 3.960 -0.054 0.000 0.237 65 G HA3 0.153 4.080 3.960 -0.054 0.000 0.237 65 G C 0.766 175.676 174.900 0.017 0.000 1.027 65 G CA 1.268 46.378 45.100 0.016 0.000 0.619 65 G HN 1.643 nan 8.290 nan 0.000 0.513 66 K N 1.857 122.270 120.400 0.022 0.000 2.440 66 K HA 0.371 4.659 4.320 -0.054 0.000 0.275 66 K C 0.683 177.295 176.600 0.021 0.000 1.082 66 K CA 1.250 57.549 56.287 0.021 0.000 1.135 66 K CB -0.042 32.474 32.500 0.026 0.000 0.864 66 K HN 0.872 nan 8.250 nan 0.000 0.479 67 K N 1.775 122.185 120.400 0.015 0.000 2.368 67 K HA 0.489 4.777 4.320 -0.054 0.000 0.282 67 K C -0.316 176.295 176.600 0.017 0.000 1.035 67 K CA 0.393 56.689 56.287 0.014 0.000 0.973 67 K CB 0.429 32.935 32.500 0.010 0.000 0.957 67 K HN 0.595 nan 8.250 nan 0.000 0.474 68 V N 2.010 121.937 119.914 0.021 0.000 3.074 68 V HA 0.530 4.617 4.120 -0.054 0.000 0.314 68 V C -0.402 175.705 176.094 0.022 0.000 1.117 68 V CA -0.817 61.497 62.300 0.024 0.000 1.014 68 V CB 2.381 34.223 31.823 0.032 0.000 1.057 68 V HN 0.738 nan 8.190 nan 0.000 0.438 69 T N 4.259 118.826 114.554 0.022 0.000 2.934 69 T HA 0.649 4.967 4.350 -0.054 0.000 0.328 69 T C -0.687 174.028 174.700 0.024 0.000 1.068 69 T CA -0.093 62.019 62.100 0.020 0.000 1.018 69 T CB 0.383 69.260 68.868 0.015 0.000 1.009 69 T HN 1.063 nan 8.240 nan 0.000 0.471 70 L N 0.429 121.670 121.223 0.030 0.000 2.301 70 L HA 0.926 5.234 4.340 -0.054 0.000 0.264 70 L C 0.532 177.423 176.870 0.035 0.000 1.016 70 L CA -1.068 53.793 54.840 0.035 0.000 0.821 70 L CB 1.097 43.185 42.059 0.048 0.000 1.346 70 L HN 0.388 nan 8.230 nan 0.000 0.429 71 S N 0.058 115.779 115.700 0.036 0.000 2.572 71 S HA 0.279 4.716 4.470 -0.054 0.000 0.262 71 S C 1.376 175.999 174.600 0.039 0.000 1.375 71 S CA 0.633 58.853 58.200 0.033 0.000 0.996 71 S CB 0.654 63.874 63.200 0.033 0.000 0.892 71 S HN 1.047 nan 8.310 nan 0.000 0.562 72 K N 1.200 121.619 120.400 0.033 0.000 2.031 72 K HA 0.046 4.334 4.320 -0.054 0.000 0.205 72 K C 2.233 178.860 176.600 0.044 0.000 1.049 72 K CA 2.016 58.323 56.287 0.034 0.000 0.939 72 K CB -2.166 30.348 32.500 0.023 0.000 0.717 72 K HN 0.959 nan 8.250 nan 0.000 0.438 73 D N 1.513 121.938 120.400 0.042 0.000 2.354 73 D HA -0.164 4.444 4.640 -0.054 0.000 0.216 73 D C 1.566 177.911 176.300 0.074 0.000 0.970 73 D CA 1.183 55.212 54.000 0.049 0.000 0.905 73 D CB -0.473 40.351 40.800 0.040 0.000 0.903 73 D HN 0.578 nan 8.370 nan 0.000 0.508 74 D N -0.811 119.640 120.400 0.084 0.000 2.333 74 D HA 0.150 4.757 4.640 -0.054 0.000 0.208 74 D C 0.695 177.094 176.300 0.165 0.000 0.984 74 D CA -0.030 54.042 54.000 0.120 0.000 0.873 74 D CB 0.273 41.131 40.800 0.097 0.000 0.935 74 D HN 0.530 nan 8.370 nan 0.000 0.521 75 I N 0.969 121.614 120.570 0.126 0.000 2.472 75 I HA 0.145 4.282 4.170 -0.054 0.000 0.290 75 I C 0.324 176.514 176.117 0.122 0.000 1.016 75 I CA -0.127 61.253 61.300 0.134 0.000 1.348 75 I CB 0.866 38.916 38.000 0.084 0.000 1.417 75 I HN -0.347 nan 8.210 nan 0.000 0.521 76 Q N 4.398 124.288 119.800 0.151 0.000 2.323 76 Q HA 0.403 4.711 4.340 -0.054 0.000 0.271 76 Q C -1.219 174.874 176.000 0.156 0.000 1.048 76 Q CA -1.283 54.586 55.803 0.109 0.000 0.792 76 Q CB 2.535 31.280 28.738 0.011 0.000 1.280 76 Q HN 0.415 nan 8.270 nan 0.000 0.441 77 K N 1.716 122.171 120.400 0.092 0.000 2.401 77 K HA 0.193 4.481 4.320 -0.054 0.000 0.278 77 K C 0.030 176.709 176.600 0.131 0.000 1.018 77 K CA 0.396 56.715 56.287 0.054 0.000 0.981 77 K CB 0.524 33.033 32.500 0.014 0.000 0.933 77 K HN 0.396 nan 8.250 nan 0.000 0.477 78 M N 1.569 121.125 119.600 -0.073 0.000 2.159 78 M HA 0.153 4.601 4.480 -0.054 0.000 0.293 78 M C 0.236 176.546 176.300 0.017 0.000 1.186 78 M CA -0.180 55.042 55.300 -0.130 0.000 1.073 78 M CB 0.721 32.996 32.600 -0.542 0.000 1.419 78 M HN 0.592 nan 8.290 nan 0.000 0.490 79 N N 0.176 118.926 118.700 0.084 0.000 2.362 79 N HA 0.540 5.248 4.740 -0.054 0.000 0.299 79 N C -2.560 173.066 175.510 0.194 0.000 1.170 79 N CA -1.211 51.890 53.050 0.086 0.000 0.825 79 N CB 1.639 40.120 38.487 -0.010 0.000 1.299 79 N HN 0.276 nan 8.380 nan 0.000 0.502 80 P HA 0.181 nan 4.420 nan 0.000 0.269 80 P C -1.959 175.492 177.300 0.252 0.000 1.215 80 P CA -0.824 62.425 63.100 0.248 0.000 0.780 80 P CB 0.047 31.892 31.700 0.242 0.000 0.898 81 P HA -0.189 nan 4.420 nan 0.000 0.221 81 P C 1.125 178.460 177.300 0.058 0.000 1.145 81 P CA 1.464 64.625 63.100 0.102 0.000 0.795 81 P CB -0.263 31.468 31.700 0.052 0.000 0.775 82 K N -0.946 119.428 120.400 -0.043 0.000 2.360 82 K HA -0.100 4.188 4.320 -0.054 0.000 0.201 82 K C 0.653 177.053 176.600 -0.333 0.000 1.046 82 K CA 1.239 57.385 56.287 -0.235 0.000 0.945 82 K CB -0.856 31.399 32.500 -0.409 0.000 0.750 82 K HN 0.146 nan 8.250 nan 0.000 0.464 83 F N 2.020 122.012 119.950 0.069 0.000 2.660 83 F HA 0.209 4.703 4.527 -0.054 0.000 0.297 83 F C 0.564 176.421 175.800 0.095 0.000 1.132 83 F CA -0.574 57.474 58.000 0.079 0.000 1.372 83 F CB 0.420 39.473 39.000 0.089 0.000 1.003 83 F HN -0.127 nan 8.300 nan 0.000 0.524 84 S N 1.816 117.630 115.700 0.189 0.000 2.509 84 S HA 0.102 4.540 4.470 -0.054 0.000 0.287 84 S C 0.542 175.214 174.600 0.119 0.000 1.248 84 S CA -0.272 58.027 58.200 0.164 0.000 1.089 84 S CB -0.449 62.820 63.200 0.116 0.000 0.900 84 S HN 0.520 nan 8.310 nan 0.000 0.496 85 K N 1.245 121.707 120.400 0.104 0.000 3.393 85 K HA -0.142 4.146 4.320 -0.054 0.000 0.272 85 K C 0.016 176.664 176.600 0.081 0.000 1.004 85 K CA 0.410 56.734 56.287 0.063 0.000 0.764 85 K CB -2.536 29.987 32.500 0.038 0.000 1.373 85 K HN 0.469 nan 8.250 nan 0.000 0.458 86 V N -1.022 118.968 119.914 0.127 0.000 2.673 86 V HA -0.035 4.053 4.120 -0.054 0.000 0.303 86 V C 1.655 177.804 176.094 0.091 0.000 1.046 86 V CA -0.087 62.298 62.300 0.142 0.000 1.126 86 V CB 1.056 33.011 31.823 0.219 0.000 0.934 86 V HN 0.383 nan 8.190 nan 0.000 0.487 87 E N 1.291 121.546 120.200 0.092 0.000 2.208 87 E HA -0.056 4.261 4.350 -0.054 0.000 0.193 87 E C 0.169 176.837 176.600 0.113 0.000 0.988 87 E CA 1.003 57.442 56.400 0.065 0.000 0.828 87 E CB 0.221 29.977 29.700 0.094 0.000 0.763 87 E HN 0.860 nan 8.360 nan 0.000 0.478 88 D N -0.216 120.276 120.400 0.153 0.000 2.469 88 D HA 0.128 4.735 4.640 -0.054 0.000 0.251 88 D C 0.612 176.968 176.300 0.094 0.000 1.173 88 D CA -0.243 53.850 54.000 0.155 0.000 0.882 88 D CB 0.947 41.855 40.800 0.179 0.000 1.129 88 D HN -0.097 nan 8.370 nan 0.000 0.549 89 M N 1.912 121.537 119.600 0.041 0.000 2.632 89 M HA -0.014 4.433 4.480 -0.054 0.000 0.256 89 M C 1.696 177.997 176.300 0.002 0.000 1.080 89 M CA 0.403 55.711 55.300 0.013 0.000 1.084 89 M CB -0.098 32.490 32.600 -0.020 0.000 1.439 89 M HN 0.376 nan 8.290 nan 0.000 0.509 90 A N 0.534 123.361 122.820 0.012 0.000 2.066 90 A HA -0.119 4.169 4.320 -0.054 0.000 0.218 90 A C 1.970 179.574 177.584 0.035 0.000 1.157 90 A CA 1.353 53.399 52.037 0.014 0.000 0.670 90 A CB -0.397 18.614 19.000 0.018 0.000 0.804 90 A HN 0.429 nan 8.150 nan 0.000 0.453 91 E N -0.240 120.002 120.200 0.071 0.000 2.106 91 E HA 0.002 4.320 4.350 -0.054 0.000 0.192 91 E C 0.173 176.824 176.600 0.085 0.000 0.984 91 E CA -0.012 56.464 56.400 0.128 0.000 0.806 91 E CB -0.322 29.501 29.700 0.204 0.000 0.750 91 E HN 0.610 nan 8.360 nan 0.000 0.458 92 L N 1.350 122.541 121.223 -0.053 0.000 2.693 92 L HA -0.169 4.138 4.340 -0.054 0.000 0.292 92 L C 1.378 178.004 176.870 -0.407 0.000 1.243 92 L CA 0.202 54.799 54.840 -0.406 0.000 0.903 92 L CB 0.307 42.202 42.059 -0.274 0.000 1.160 92 L HN 0.205 nan 8.230 nan 0.000 0.496 93 T N 1.232 115.329 114.554 -0.760 0.000 2.821 93 T HA -0.091 4.227 4.350 -0.054 0.000 0.267 93 T C 0.528 175.102 174.700 -0.210 0.000 1.046 93 T CA 0.806 62.709 62.100 -0.328 0.000 1.139 93 T CB -0.013 68.707 68.868 -0.246 0.000 0.871 93 T HN 0.599 nan 8.240 nan 0.000 0.454 94 C N 1.811 120.958 119.300 -0.255 0.000 2.319 94 C HA 0.713 5.140 4.460 -0.054 0.000 0.323 94 C C -0.311 174.606 174.990 -0.123 0.000 1.277 94 C CA -1.333 57.606 59.018 -0.131 0.000 1.517 94 C CB 0.401 28.094 27.740 -0.078 0.000 2.206 94 C HN 0.462 nan 8.230 nan 0.000 0.486 95 L N 6.188 127.363 121.223 -0.080 0.000 2.301 95 L HA 0.577 4.885 4.340 -0.054 0.000 0.278 95 L C -0.610 176.224 176.870 -0.060 0.000 1.022 95 L CA 0.340 55.140 54.840 -0.066 0.000 0.854 95 L CB 0.155 42.194 42.059 -0.033 0.000 1.226 95 L HN 0.914 nan 8.230 nan 0.000 0.429 96 N N 0.929 119.569 118.700 -0.100 0.000 2.494 96 N HA 0.280 4.987 4.740 -0.054 0.000 0.270 96 N C 0.092 175.464 175.510 -0.230 0.000 1.285 96 N CA -0.857 52.112 53.050 -0.134 0.000 0.812 96 N CB 0.704 39.107 38.487 -0.140 0.000 1.557 96 N HN 0.347 nan 8.380 nan 0.000 0.487 97 E N 0.255 120.316 120.200 -0.232 0.000 2.086 97 E HA -0.349 3.969 4.350 -0.054 0.000 0.205 97 E C 1.648 177.930 176.600 -0.531 0.000 1.027 97 E CA 2.346 58.593 56.400 -0.254 0.000 0.830 97 E CB -0.414 29.226 29.700 -0.100 0.000 0.751 97 E HN 0.705 nan 8.360 nan 0.000 0.456 98 A N 1.042 123.202 122.820 -1.100 0.000 1.917 98 A HA -0.225 4.062 4.320 -0.054 0.000 0.219 98 A C 2.386 179.331 177.584 -1.066 0.000 1.182 98 A CA 2.137 53.278 52.037 -1.494 0.000 0.633 98 A CB -0.444 17.530 19.000 -1.709 0.000 0.819 98 A HN 0.192 nan 8.150 nan 0.000 0.448 99 S N -0.751 114.575 115.700 -0.624 0.000 2.395 99 S HA -0.044 4.394 4.470 -0.054 0.000 0.225 99 S C 1.851 176.352 174.600 -0.165 0.000 1.027 99 S CA 1.108 59.137 58.200 -0.285 0.000 0.965 99 S CB -0.358 62.782 63.200 -0.100 0.000 0.812 99 S HN 0.327 nan 8.310 nan 0.000 0.482 100 V N 2.297 122.102 119.914 -0.182 0.000 2.270 100 V HA -0.120 3.968 4.120 -0.054 0.000 0.245 100 V C 2.297 178.319 176.094 -0.120 0.000 1.043 100 V CA 1.599 63.832 62.300 -0.112 0.000 1.014 100 V CB -0.735 31.035 31.823 -0.087 0.000 0.645 100 V HN 0.395 nan 8.190 nan 0.000 0.447 101 L N -0.165 120.962 121.223 -0.161 0.000 2.043 101 L HA -0.263 4.044 4.340 -0.054 0.000 0.212 101 L C 2.507 179.307 176.870 -0.117 0.000 1.075 101 L CA 2.424 57.185 54.840 -0.131 0.000 0.752 101 L CB -0.992 41.003 42.059 -0.106 0.000 0.891 101 L HN 0.506 nan 8.230 nan 0.000 0.432 102 H N -0.805 118.100 119.070 -0.274 0.000 2.321 102 H HA -0.200 4.323 4.556 -0.054 0.000 0.300 102 H C 2.047 177.352 175.328 -0.038 0.000 1.087 102 H CA 1.912 57.852 56.048 -0.180 0.000 1.319 102 H CB 0.068 29.674 29.762 -0.260 0.000 1.379 102 H HN 0.474 nan 8.280 nan 0.000 0.501 103 N N 0.376 119.031 118.700 -0.076 0.000 2.149 103 N HA -0.124 4.583 4.740 -0.054 0.000 0.188 103 N C 2.278 177.726 175.510 -0.104 0.000 1.019 103 N CA 1.093 54.100 53.050 -0.072 0.000 0.857 103 N CB -0.231 38.260 38.487 0.006 0.000 0.997 103 N HN 0.341 nan 8.380 nan 0.000 0.426 104 L N -0.366 120.790 121.223 -0.111 0.000 2.023 104 L HA -0.031 4.276 4.340 -0.054 0.000 0.205 104 L C 2.574 179.366 176.870 -0.130 0.000 1.073 104 L CA 0.882 55.648 54.840 -0.123 0.000 0.745 104 L CB -0.450 41.520 42.059 -0.147 0.000 0.900 104 L HN 0.163 nan 8.230 nan 0.000 0.435 105 R N 0.276 120.698 120.500 -0.130 0.000 2.096 105 R HA -0.207 4.100 4.340 -0.054 0.000 0.240 105 R C 2.243 178.562 176.300 0.033 0.000 1.139 105 R CA 1.743 57.808 56.100 -0.057 0.000 0.952 105 R CB -0.090 30.245 30.300 0.058 0.000 0.854 105 R HN 0.362 nan 8.270 nan 0.000 0.436 106 E N -0.001 120.157 120.200 -0.069 0.000 2.023 106 E HA -0.224 4.094 4.350 -0.054 0.000 0.196 106 E C 2.163 178.780 176.600 0.028 0.000 1.003 106 E CA 1.482 57.871 56.400 -0.018 0.000 0.809 106 E CB -0.138 29.460 29.700 -0.169 0.000 0.755 106 E HN 0.408 nan 8.360 nan 0.000 0.449 107 R N -0.098 120.393 120.500 -0.015 0.000 2.103 107 R HA -0.207 4.101 4.340 -0.054 0.000 0.242 107 R C 2.385 178.684 176.300 -0.003 0.000 1.142 107 R CA 1.472 57.569 56.100 -0.006 0.000 0.960 107 R CB -0.645 29.642 30.300 -0.022 0.000 0.858 107 R HN 0.259 nan 8.270 nan 0.000 0.439 108 Y N 1.136 121.314 120.300 -0.204 0.000 2.014 108 Y HA -0.255 4.262 4.550 -0.054 0.000 0.270 108 Y C 1.901 177.631 175.900 -0.285 0.000 1.145 108 Y CA 1.493 59.395 58.100 -0.330 0.000 1.106 108 Y CB -0.704 37.423 38.460 -0.556 0.000 0.968 108 Y HN -0.119 nan 8.280 nan 0.000 0.484 109 F N -0.736 119.179 119.950 -0.058 0.000 2.583 109 F HA -0.086 4.409 4.527 -0.054 0.000 0.297 109 F C 2.512 178.245 175.800 -0.112 0.000 1.131 109 F CA 1.387 59.300 58.000 -0.145 0.000 1.467 109 F CB -0.749 38.232 39.000 -0.032 0.000 1.097 109 F HN -0.024 nan 8.300 nan 0.000 0.586 110 S N -1.053 114.673 115.700 0.043 0.000 2.575 110 S HA 0.316 4.753 4.470 -0.054 0.000 0.215 110 S C 1.809 176.393 174.600 -0.027 0.000 0.966 110 S CA 0.643 58.857 58.200 0.023 0.000 0.911 110 S CB -0.267 62.950 63.200 0.028 0.000 0.780 110 S HN 0.576 nan 8.310 nan 0.000 0.514 111 G N 1.075 109.818 108.800 -0.094 0.000 2.175 111 G HA2 -0.212 3.716 3.960 -0.054 0.000 0.244 111 G HA3 -0.212 3.716 3.960 -0.054 0.000 0.244 111 G C -0.039 174.804 174.900 -0.094 0.000 0.982 111 G CA 0.019 45.051 45.100 -0.114 0.000 0.641 111 G HN 0.466 nan 8.290 nan 0.000 0.527 112 L N 1.731 122.915 121.223 -0.064 0.000 2.261 112 L HA 0.561 4.868 4.340 -0.054 0.000 0.289 112 L C 1.830 178.667 176.870 -0.055 0.000 1.059 112 L CA -0.486 54.329 54.840 -0.041 0.000 0.816 112 L CB 0.810 42.858 42.059 -0.019 0.000 1.191 112 L HN 0.330 nan 8.230 nan 0.000 0.431 113 I N -1.283 119.221 120.570 -0.111 0.000 3.968 113 I HA 0.176 4.314 4.170 -0.054 0.000 0.328 113 I C -0.261 175.614 176.117 -0.404 0.000 1.290 113 I CA -0.016 61.150 61.300 -0.224 0.000 1.163 113 I CB 0.204 38.017 38.000 -0.311 0.000 1.024 113 I HN 0.291 nan 8.210 nan 0.000 0.413 114 Y N 1.671 121.864 120.300 -0.180 0.000 2.331 114 Y HA 0.597 5.114 4.550 -0.055 0.000 0.338 114 Y C -0.123 175.622 175.900 -0.258 0.000 0.992 114 Y CA -0.579 57.386 58.100 -0.225 0.000 1.121 114 Y CB 1.900 40.176 38.460 -0.305 0.000 1.184 114 Y HN -0.106 nan 8.280 nan 0.000 0.469 115 T N 3.538 118.035 114.554 -0.095 0.000 3.031 115 T HA 0.282 4.600 4.350 -0.054 0.000 0.305 115 T C -1.232 173.413 174.700 -0.090 0.000 0.985 115 T CA -0.876 61.139 62.100 -0.141 0.000 1.008 115 T CB 0.124 68.945 68.868 -0.079 0.000 1.005 115 T HN 0.181 nan 8.240 nan 0.000 0.444 116 Y N 2.293 122.602 120.300 0.014 0.000 2.511 116 Y HA 0.357 4.874 4.550 -0.055 0.000 0.332 116 Y C 1.299 177.118 175.900 -0.135 0.000 1.177 116 Y CA -0.790 57.286 58.100 -0.040 0.000 1.422 116 Y CB 0.497 38.953 38.460 -0.005 0.000 1.271 116 Y HN 0.599 nan 8.280 nan 0.000 0.550 117 S N 1.632 117.234 115.700 -0.163 0.000 2.395 117 S HA 0.654 5.091 4.470 -0.054 0.000 0.207 117 S C 0.303 174.492 174.600 -0.684 0.000 1.454 117 S CA -0.266 57.693 58.200 -0.400 0.000 1.211 117 S CB 0.462 63.367 63.200 -0.491 0.000 1.093 117 S HN 1.414 nan 8.310 nan 0.000 0.472 118 G N 3.082 111.711 108.800 -0.286 0.000 2.514 118 G HA2 -0.295 3.633 3.960 -0.054 0.000 0.265 118 G HA3 -0.295 3.633 3.960 -0.054 0.000 0.265 118 G C 0.426 175.242 174.900 -0.141 0.000 1.150 118 G CA 0.162 45.150 45.100 -0.185 0.000 0.959 118 G HN 0.802 nan 8.290 nan 0.000 0.556 119 L N 0.876 122.078 121.223 -0.035 0.000 2.034 119 L HA 0.268 4.575 4.340 -0.054 0.000 0.203 119 L C 2.240 179.183 176.870 0.122 0.000 1.074 119 L CA 1.486 56.365 54.840 0.066 0.000 0.748 119 L CB -0.791 41.350 42.059 0.137 0.000 0.905 119 L HN 0.578 nan 8.230 nan 0.000 0.439 120 F N -1.024 119.007 119.950 0.135 0.000 2.380 120 F HA 0.323 4.817 4.527 -0.054 0.000 0.295 120 F C 0.170 176.104 175.800 0.224 0.000 1.292 120 F CA -1.848 56.281 58.000 0.214 0.000 1.248 120 F CB -0.364 38.817 39.000 0.300 0.000 1.338 120 F HN -0.117 nan 8.300 nan 0.000 0.524 121 C N 0.614 120.154 119.300 0.399 0.000 2.802 121 C HA 0.864 5.291 4.460 -0.054 0.000 0.307 121 C C -0.778 174.373 174.990 0.269 0.000 1.222 121 C CA -0.493 58.697 59.018 0.287 0.000 1.580 121 C CB 1.187 29.149 27.740 0.369 0.000 2.119 121 C HN 0.759 nan 8.230 nan 0.000 0.479 122 V N 4.184 124.182 119.914 0.140 0.000 2.680 122 V HA 0.769 4.856 4.120 -0.054 0.000 0.309 122 V C -0.655 175.419 176.094 -0.034 0.000 1.052 122 V CA -0.391 61.950 62.300 0.068 0.000 0.908 122 V CB 1.825 33.661 31.823 0.022 0.000 1.001 122 V HN 0.782 nan 8.190 nan 0.000 0.431 123 V N 4.485 124.329 119.914 -0.116 0.000 2.686 123 V HA 0.545 4.632 4.120 -0.054 0.000 0.306 123 V C -0.625 175.295 176.094 -0.290 0.000 1.065 123 V CA -0.483 61.630 62.300 -0.312 0.000 0.894 123 V CB 2.031 33.622 31.823 -0.387 0.000 1.004 123 V HN 0.666 nan 8.190 nan 0.000 0.424 124 I N 2.852 123.222 120.570 -0.334 0.000 2.354 124 I HA 0.358 4.496 4.170 -0.054 0.000 0.292 124 I C 0.221 176.180 176.117 -0.265 0.000 0.989 124 I CA -0.533 60.559 61.300 -0.347 0.000 1.188 124 I CB 1.605 39.273 38.000 -0.553 0.000 1.342 124 I HN 0.618 nan 8.210 nan 0.000 0.457 125 N N 9.185 127.706 118.700 -0.299 0.000 2.374 125 N HA -0.004 4.703 4.740 -0.054 0.000 0.269 125 N C -1.464 173.951 175.510 -0.159 0.000 1.310 125 N CA -0.955 51.889 53.050 -0.343 0.000 0.877 125 N CB 1.074 39.161 38.487 -0.667 0.000 1.096 125 N HN 0.401 nan 8.380 nan 0.000 0.484 126 P HA -0.059 nan 4.420 nan 0.000 0.224 126 P C -0.130 177.240 177.300 0.118 0.000 1.157 126 P CA 0.529 63.654 63.100 0.041 0.000 0.799 126 P CB 0.142 31.831 31.700 -0.018 0.000 0.809 127 Y N -0.250 120.083 120.300 0.055 0.000 4.324 127 Y HA -0.256 4.261 4.550 -0.054 0.000 0.224 127 Y C 0.592 176.514 175.900 0.036 0.000 1.113 127 Y CA 0.473 58.601 58.100 0.048 0.000 1.887 127 Y CB -2.179 36.317 38.460 0.060 0.000 1.602 127 Y HN 0.256 nan 8.280 nan 0.000 0.654 128 K N -1.371 119.128 120.400 0.165 0.000 2.556 128 K HA 0.494 4.781 4.320 -0.054 0.000 0.274 128 K C -0.771 175.881 176.600 0.086 0.000 0.966 128 K CA -1.171 55.179 56.287 0.105 0.000 0.865 128 K CB 1.461 34.001 32.500 0.066 0.000 1.444 128 K HN -0.178 nan 8.250 nan 0.000 0.433 129 Q N 1.713 121.561 119.800 0.080 0.000 2.332 129 Q HA 0.346 4.653 4.340 -0.054 0.000 0.263 129 Q C -0.454 175.587 176.000 0.069 0.000 0.979 129 Q CA 0.083 55.941 55.803 0.092 0.000 0.885 129 Q CB 0.696 29.484 28.738 0.083 0.000 1.218 129 Q HN 0.497 nan 8.270 nan 0.000 0.405 130 L N 4.507 125.780 121.223 0.084 0.000 2.386 130 L HA 0.383 4.690 4.340 -0.054 0.000 0.271 130 L C -1.949 174.929 176.870 0.015 0.000 0.993 130 L CA -1.959 52.892 54.840 0.018 0.000 0.819 130 L CB 2.298 44.333 42.059 -0.039 0.000 1.294 130 L HN 0.403 nan 8.230 nan 0.000 0.414 131 P HA 0.099 nan 4.420 nan 0.000 0.231 131 P C 0.310 177.601 177.300 -0.015 0.000 1.756 131 P CA 0.323 63.436 63.100 0.021 0.000 0.990 131 P CB -0.316 31.399 31.700 0.026 0.000 1.973 132 I N -4.240 116.264 120.570 -0.109 0.000 4.390 132 I HA 0.249 4.387 4.170 -0.054 0.000 0.334 132 I C -0.466 175.533 176.117 -0.198 0.000 1.379 132 I CA -0.405 60.786 61.300 -0.182 0.000 1.197 132 I CB 0.250 38.048 38.000 -0.337 0.000 1.396 132 I HN -0.212 nan 8.210 nan 0.000 0.511 133 Y N 2.234 122.653 120.300 0.200 0.000 2.716 133 Y HA 0.376 4.894 4.550 -0.053 0.000 0.260 133 Y C 1.586 177.662 175.900 0.293 0.000 1.141 133 Y CA -0.795 57.468 58.100 0.273 0.000 1.168 133 Y CB -0.120 38.455 38.460 0.192 0.000 1.189 133 Y HN 0.242 nan 8.280 nan 0.000 0.549 134 S N -0.576 115.316 115.700 0.319 0.000 2.617 134 S HA -0.038 4.400 4.470 -0.054 0.000 0.255 134 S C 1.422 176.137 174.600 0.191 0.000 1.318 134 S CA 0.156 58.484 58.200 0.214 0.000 0.978 134 S CB 1.087 64.372 63.200 0.142 0.000 0.961 134 S HN 0.525 nan 8.310 nan 0.000 0.582 135 E N 0.333 120.595 120.200 0.103 0.000 2.190 135 E HA -0.009 4.308 4.350 -0.054 0.000 0.191 135 E C 1.944 178.560 176.600 0.027 0.000 0.978 135 E CA 0.766 57.188 56.400 0.036 0.000 0.839 135 E CB -0.243 29.464 29.700 0.011 0.000 0.787 135 E HN 0.733 nan 8.360 nan 0.000 0.473 136 K N 0.510 120.942 120.400 0.053 0.000 2.032 136 K HA -0.137 4.151 4.320 -0.054 0.000 0.209 136 K C 1.861 178.504 176.600 0.072 0.000 1.048 136 K CA 1.807 58.122 56.287 0.047 0.000 0.927 136 K CB -0.191 32.339 32.500 0.050 0.000 0.712 136 K HN 0.202 nan 8.250 nan 0.000 0.441 137 I N 0.646 121.291 120.570 0.125 0.000 2.394 137 I HA -0.216 3.921 4.170 -0.054 0.000 0.251 137 I C 1.995 178.252 176.117 0.234 0.000 1.136 137 I CA 0.873 62.296 61.300 0.205 0.000 1.425 137 I CB -0.069 38.086 38.000 0.258 0.000 1.079 137 I HN 0.208 nan 8.210 nan 0.000 0.425 138 I N 0.443 121.049 120.570 0.060 0.000 2.286 138 I HA -0.299 3.839 4.170 -0.054 0.000 0.248 138 I C 1.962 178.087 176.117 0.013 0.000 1.115 138 I CA 1.242 62.451 61.300 -0.152 0.000 1.392 138 I CB -0.435 37.363 38.000 -0.336 0.000 1.065 138 I HN 0.265 nan 8.210 nan 0.000 0.418 139 D N 0.653 121.060 120.400 0.011 0.000 2.084 139 D HA -0.177 4.430 4.640 -0.054 0.000 0.196 139 D C 2.212 178.541 176.300 0.048 0.000 0.985 139 D CA 1.324 55.329 54.000 0.009 0.000 0.826 139 D CB -0.220 40.577 40.800 -0.004 0.000 0.978 139 D HN 0.221 nan 8.370 nan 0.000 0.456 140 M N -0.708 118.926 119.600 0.056 0.000 2.260 140 M HA -0.219 4.229 4.480 -0.054 0.000 0.261 140 M C 1.190 177.436 176.300 -0.091 0.000 1.066 140 M CA 1.354 56.641 55.300 -0.021 0.000 1.082 140 M CB -0.064 32.513 32.600 -0.038 0.000 1.388 140 M HN 0.094 nan 8.290 nan 0.000 0.419 141 Y N -0.824 119.506 120.300 0.051 0.000 2.457 141 Y HA 0.191 4.708 4.550 -0.054 0.000 0.263 141 Y C 0.624 176.614 175.900 0.150 0.000 1.164 141 Y CA -0.038 58.114 58.100 0.086 0.000 1.274 141 Y CB 0.293 38.814 38.460 0.101 0.000 1.097 141 Y HN -0.092 nan 8.280 nan 0.000 0.523 142 K N 0.645 121.187 120.400 0.237 0.000 2.472 142 K HA 0.045 4.332 4.320 -0.054 0.000 0.280 142 K C 1.105 177.788 176.600 0.138 0.000 1.028 142 K CA 0.967 57.367 56.287 0.189 0.000 1.045 142 K CB 0.115 32.650 32.500 0.059 0.000 0.902 142 K HN 0.536 nan 8.250 nan 0.000 0.478 143 G N 3.088 111.993 108.800 0.175 0.000 2.269 143 G HA2 -0.271 3.657 3.960 -0.054 0.000 0.277 143 G HA3 -0.271 3.657 3.960 -0.054 0.000 0.277 143 G C 0.014 174.943 174.900 0.048 0.000 1.008 143 G CA 0.370 45.530 45.100 0.100 0.000 0.774 143 G HN 0.453 nan 8.290 nan 0.000 0.511 144 K N 0.391 120.828 120.400 0.063 0.000 2.218 144 K HA 0.332 4.620 4.320 -0.054 0.000 0.276 144 K C 0.840 177.416 176.600 -0.040 0.000 1.022 144 K CA -0.308 55.971 56.287 -0.014 0.000 0.946 144 K CB 0.817 33.293 32.500 -0.041 0.000 1.000 144 K HN 0.152 nan 8.250 nan 0.000 0.468 145 K N 2.502 122.807 120.400 -0.157 0.000 2.185 145 K HA 0.141 4.429 4.320 -0.054 0.000 0.271 145 K C 1.267 177.720 176.600 -0.245 0.000 1.013 145 K CA -0.186 55.955 56.287 -0.243 0.000 0.943 145 K CB 0.963 33.181 32.500 -0.471 0.000 0.998 145 K HN 0.498 nan 8.250 nan 0.000 0.468 146 R N 1.307 121.717 120.500 -0.149 0.000 2.140 146 R HA -0.221 4.086 4.340 -0.054 0.000 0.250 146 R C 2.115 178.413 176.300 -0.004 0.000 1.150 146 R CA 2.072 58.114 56.100 -0.096 0.000 0.966 146 R CB -0.221 29.916 30.300 -0.271 0.000 0.869 146 R HN 0.700 nan 8.270 nan 0.000 0.445 147 H N -1.063 118.021 119.070 0.024 0.000 2.524 147 H HA -0.003 4.521 4.556 -0.054 0.000 0.282 147 H C 0.637 175.994 175.328 0.047 0.000 1.016 147 H CA 0.978 57.056 56.048 0.050 0.000 1.270 147 H CB 0.041 29.817 29.762 0.022 0.000 1.394 147 H HN 0.430 nan 8.280 nan 0.000 0.568 148 E N 0.576 120.610 120.200 -0.277 0.000 2.481 148 E HA 0.162 4.480 4.350 -0.054 0.000 0.195 148 E C 0.313 176.863 176.600 -0.084 0.000 1.047 148 E CA 0.143 56.462 56.400 -0.135 0.000 0.867 148 E CB 0.443 30.014 29.700 -0.215 0.000 0.858 148 E HN 0.355 nan 8.360 nan 0.000 0.513 149 M N 1.134 120.713 119.600 -0.035 0.000 2.433 149 M HA 0.329 4.776 4.480 -0.054 0.000 0.290 149 M C -2.712 173.674 176.300 0.144 0.000 1.173 149 M CA -2.410 52.852 55.300 -0.062 0.000 0.905 149 M CB 2.305 34.701 32.600 -0.340 0.000 1.692 149 M HN -0.271 nan 8.290 nan 0.000 0.462 150 P HA 0.117 nan 4.420 nan 0.000 0.269 150 P C -2.679 174.723 177.300 0.171 0.000 1.211 150 P CA -0.716 62.471 63.100 0.146 0.000 0.781 150 P CB -1.024 30.749 31.700 0.122 0.000 0.877 151 P HA 0.081 nan 4.420 nan 0.000 0.264 151 P C -0.237 176.914 177.300 -0.249 0.000 1.193 151 P CA 1.069 63.764 63.100 -0.675 0.000 0.763 151 P CB 0.193 31.162 31.700 -1.219 0.000 0.810 152 H N 2.232 121.052 119.070 -0.417 0.000 3.046 152 H HA 0.174 4.697 4.556 -0.055 0.000 0.363 152 H C 0.437 175.226 175.328 -0.899 0.000 1.203 152 H CA -0.588 54.907 56.048 -0.922 0.000 1.169 152 H CB 1.829 30.986 29.762 -1.010 0.000 1.851 152 H HN 0.186 nan 8.280 nan 0.000 0.546 153 I N 3.436 123.246 120.570 -1.267 0.000 2.567 153 I HA -0.218 3.920 4.170 -0.054 0.000 0.257 153 I C 1.109 177.104 176.117 -0.203 0.000 1.184 153 I CA 1.288 62.293 61.300 -0.491 0.000 1.451 153 I CB -0.485 37.347 38.000 -0.281 0.000 1.089 153 I HN 0.479 nan 8.210 nan 0.000 0.441 154 Y N 0.798 120.945 120.300 -0.256 0.000 2.163 154 Y HA -0.081 4.436 4.550 -0.054 0.000 0.288 154 Y C 2.655 178.143 175.900 -0.687 0.000 1.136 154 Y CA 0.760 58.465 58.100 -0.658 0.000 1.147 154 Y CB -1.655 36.282 38.460 -0.870 0.000 0.987 154 Y HN 0.242 nan 8.280 nan 0.000 0.509 155 A N 0.179 122.849 122.820 -0.250 0.000 1.908 155 A HA -0.206 4.081 4.320 -0.054 0.000 0.218 155 A C 2.294 179.867 177.584 -0.019 0.000 1.181 155 A CA 2.017 54.058 52.037 0.007 0.000 0.627 155 A CB -1.163 17.997 19.000 0.267 0.000 0.818 155 A HN 0.376 nan 8.150 nan 0.000 0.445 156 I N -0.015 120.553 120.570 -0.004 0.000 2.163 156 I HA -0.284 3.854 4.170 -0.054 0.000 0.243 156 I C 2.944 179.055 176.117 -0.010 0.000 1.085 156 I CA 1.402 62.719 61.300 0.028 0.000 1.347 156 I CB -0.412 37.629 38.000 0.068 0.000 1.044 156 I HN 0.335 nan 8.210 nan 0.000 0.408 157 A N -0.082 122.689 122.820 -0.081 0.000 1.865 157 A HA -0.314 3.973 4.320 -0.054 0.000 0.217 157 A C 2.229 179.810 177.584 -0.004 0.000 1.191 157 A CA 2.277 54.281 52.037 -0.056 0.000 0.623 157 A CB -0.962 17.955 19.000 -0.138 0.000 0.826 157 A HN 0.522 nan 8.150 nan 0.000 0.444 158 D N -0.435 119.869 120.400 -0.159 0.000 2.092 158 D HA -0.176 4.432 4.640 -0.054 0.000 0.193 158 D C 2.119 178.513 176.300 0.157 0.000 0.994 158 D CA 2.644 56.728 54.000 0.141 0.000 0.828 158 D CB -0.253 40.617 40.800 0.116 0.000 0.963 158 D HN 0.497 nan 8.370 nan 0.000 0.450 159 T N -1.171 113.418 114.554 0.059 0.000 2.881 159 T HA 0.026 4.344 4.350 -0.054 0.000 0.270 159 T C 2.038 176.751 174.700 0.022 0.000 1.068 159 T CA 1.461 63.578 62.100 0.028 0.000 1.131 159 T CB -0.295 68.570 68.868 -0.005 0.000 0.871 159 T HN 0.178 nan 8.240 nan 0.000 0.479 160 A N 0.410 123.258 122.820 0.046 0.000 1.898 160 A HA 0.107 4.394 4.320 -0.054 0.000 0.214 160 A C 2.096 179.704 177.584 0.042 0.000 1.183 160 A CA 1.121 53.177 52.037 0.031 0.000 0.622 160 A CB -1.123 17.905 19.000 0.046 0.000 0.824 160 A HN 0.510 nan 8.150 nan 0.000 0.444 161 Y N 1.438 121.700 120.300 -0.063 0.000 2.014 161 Y HA -0.270 4.247 4.550 -0.054 0.000 0.270 161 Y C 2.526 178.338 175.900 -0.147 0.000 1.145 161 Y CA 2.188 60.209 58.100 -0.131 0.000 1.106 161 Y CB -0.547 37.902 38.460 -0.018 0.000 0.968 161 Y HN 0.244 nan 8.280 nan 0.000 0.484 162 R N -0.130 120.243 120.500 -0.212 0.000 2.112 162 R HA -0.214 4.093 4.340 -0.054 0.000 0.242 162 R C 2.586 178.746 176.300 -0.234 0.000 1.137 162 R CA 1.566 57.477 56.100 -0.315 0.000 0.944 162 R CB -1.662 28.551 30.300 -0.146 0.000 0.857 162 R HN 0.386 nan 8.270 nan 0.000 0.435 163 S N 0.910 116.528 115.700 -0.137 0.000 2.407 163 S HA -0.188 4.250 4.470 -0.054 0.000 0.235 163 S C 1.884 176.396 174.600 -0.146 0.000 1.036 163 S CA 1.601 59.732 58.200 -0.114 0.000 1.013 163 S CB -0.192 62.964 63.200 -0.074 0.000 0.820 163 S HN 0.363 nan 8.310 nan 0.000 0.476 164 M N 0.488 119.976 119.600 -0.186 0.000 2.059 164 M HA -0.125 4.323 4.480 -0.054 0.000 0.259 164 M C 1.834 178.005 176.300 -0.214 0.000 1.072 164 M CA 1.762 56.936 55.300 -0.210 0.000 1.117 164 M CB -0.330 32.109 32.600 -0.267 0.000 1.320 164 M HN 0.357 nan 8.290 nan 0.000 0.408 165 L N -0.215 120.835 121.223 -0.287 0.000 1.994 165 L HA -0.244 4.064 4.340 -0.054 0.000 0.208 165 L C 2.807 179.575 176.870 -0.170 0.000 1.071 165 L CA 1.318 56.013 54.840 -0.241 0.000 0.745 165 L CB -1.266 40.598 42.059 -0.325 0.000 0.892 165 L HN 0.428 nan 8.230 nan 0.000 0.431 166 Q N 0.424 120.121 119.800 -0.172 0.000 2.062 166 Q HA -0.248 4.060 4.340 -0.054 0.000 0.209 166 Q C 1.206 177.147 176.000 -0.097 0.000 0.996 166 Q CA 2.162 57.891 55.803 -0.124 0.000 0.859 166 Q CB -0.231 28.438 28.738 -0.115 0.000 0.920 166 Q HN 0.633 nan 8.270 nan 0.000 0.415 167 D N -0.565 119.777 120.400 -0.097 0.000 2.368 167 D HA 0.059 4.666 4.640 -0.054 0.000 0.218 167 D C -0.077 176.178 176.300 -0.075 0.000 1.112 167 D CA -0.182 53.771 54.000 -0.079 0.000 0.834 167 D CB 0.196 40.952 40.800 -0.074 0.000 0.953 167 D HN 0.113 nan 8.370 nan 0.000 0.505 168 R N 1.448 121.896 120.500 -0.087 0.000 3.387 168 R HA -0.199 4.108 4.340 -0.054 0.000 0.254 168 R C -0.325 175.933 176.300 -0.070 0.000 1.006 168 R CA 0.809 56.864 56.100 -0.074 0.000 0.677 168 R CB -2.237 28.034 30.300 -0.050 0.000 1.063 168 R HN 0.599 nan 8.270 nan 0.000 0.453 169 E N -0.177 119.967 120.200 -0.094 0.000 2.248 169 E HA 0.341 4.659 4.350 -0.054 0.000 0.267 169 E C -0.916 175.587 176.600 -0.161 0.000 0.877 169 E CA -1.109 55.232 56.400 -0.098 0.000 0.759 169 E CB 1.452 31.103 29.700 -0.081 0.000 1.182 169 E HN -0.105 nan 8.360 nan 0.000 0.418 170 D N 3.287 123.560 120.400 -0.212 0.000 2.455 170 D HA 0.019 4.626 4.640 -0.054 0.000 0.241 170 D C -0.030 176.028 176.300 -0.403 0.000 1.138 170 D CA 0.429 54.153 54.000 -0.459 0.000 0.877 170 D CB 0.781 41.156 40.800 -0.708 0.000 1.187 170 D HN 0.380 nan 8.370 nan 0.000 0.451 171 Q N 0.398 119.945 119.800 -0.421 0.000 2.297 171 Q HA 0.606 4.913 4.340 -0.054 0.000 0.269 171 Q C -0.344 175.573 176.000 -0.138 0.000 1.051 171 Q CA -0.834 54.840 55.803 -0.215 0.000 0.869 171 Q CB 2.102 30.764 28.738 -0.126 0.000 1.346 171 Q HN 0.532 nan 8.270 nan 0.000 0.457 172 S N -0.284 115.405 115.700 -0.019 0.000 2.566 172 S HA 0.609 5.047 4.470 -0.054 0.000 0.273 172 S C -0.766 173.846 174.600 0.020 0.000 1.157 172 S CA -0.798 57.459 58.200 0.094 0.000 0.938 172 S CB 0.703 63.998 63.200 0.157 0.000 1.087 172 S HN 0.492 nan 8.310 nan 0.000 0.474 173 I N 3.798 124.403 120.570 0.058 0.000 2.328 173 I HA 0.330 4.468 4.170 -0.054 0.000 0.287 173 I C -0.810 175.304 176.117 -0.005 0.000 1.012 173 I CA -0.780 60.529 61.300 0.016 0.000 1.195 173 I CB 1.257 39.293 38.000 0.060 0.000 1.350 173 I HN 0.571 nan 8.210 nan 0.000 0.464 174 L N 5.884 127.021 121.223 -0.144 0.000 2.276 174 L HA 0.467 4.774 4.340 -0.054 0.000 0.286 174 L C -0.480 176.371 176.870 -0.032 0.000 1.024 174 L CA -0.567 54.184 54.840 -0.147 0.000 0.826 174 L CB 1.291 43.091 42.059 -0.431 0.000 1.211 174 L HN 0.564 nan 8.230 nan 0.000 0.422 175 C N 2.375 121.696 119.300 0.035 0.000 2.415 175 C HA 0.544 4.971 4.460 -0.054 0.000 0.369 175 C C 1.166 176.193 174.990 0.061 0.000 1.279 175 C CA -0.323 58.733 59.018 0.063 0.000 1.886 175 C CB 0.665 28.440 27.740 0.058 0.000 2.468 175 C HN 0.856 nan 8.230 nan 0.000 0.553 176 T N 0.755 115.349 114.554 0.066 0.000 2.940 176 T HA 0.900 5.217 4.350 -0.054 0.000 0.288 176 T C -0.291 174.424 174.700 0.024 0.000 1.033 176 T CA -0.131 61.997 62.100 0.047 0.000 1.033 176 T CB 1.946 70.827 68.868 0.021 0.000 1.079 176 T HN 1.521 nan 8.240 nan 0.000 0.496 177 G N 1.284 110.105 108.800 0.035 0.000 2.322 177 G HA2 0.394 4.322 3.960 -0.054 0.000 0.289 177 G HA3 0.394 4.322 3.960 -0.054 0.000 0.289 177 G C -0.979 173.954 174.900 0.056 0.000 1.687 177 G CA -0.559 44.556 45.100 0.025 0.000 0.944 177 G HN 1.101 nan 8.290 nan 0.000 0.718 178 E N 0.175 120.407 120.200 0.053 0.000 2.409 178 E HA 0.492 4.810 4.350 -0.054 0.000 0.257 178 E C 0.705 177.342 176.600 0.062 0.000 1.150 178 E CA -0.020 56.436 56.400 0.093 0.000 0.942 178 E CB 0.920 30.677 29.700 0.095 0.000 0.979 178 E HN 0.634 nan 8.360 nan 0.000 0.447 179 S N 1.178 116.904 115.700 0.042 0.000 2.673 179 S HA 0.238 4.676 4.470 -0.054 0.000 0.308 179 S C 1.093 175.725 174.600 0.053 0.000 1.246 179 S CA 0.839 59.049 58.200 0.016 0.000 1.077 179 S CB -0.847 62.321 63.200 -0.053 0.000 0.814 179 S HN 1.013 nan 8.310 nan 0.000 0.503 180 G N 3.784 112.620 108.800 0.060 0.000 2.232 180 G HA2 -0.251 3.676 3.960 -0.054 0.000 0.226 180 G HA3 -0.251 3.676 3.960 -0.054 0.000 0.226 180 G C 1.126 176.034 174.900 0.014 0.000 0.996 180 G CA 0.542 45.698 45.100 0.094 0.000 0.626 180 G HN 1.427 nan 8.290 nan 0.000 0.509 181 A N -0.024 122.789 122.820 -0.012 0.000 1.903 181 A HA 0.355 4.643 4.320 -0.054 0.000 0.219 181 A C 2.793 180.304 177.584 -0.122 0.000 1.191 181 A CA 3.310 55.301 52.037 -0.077 0.000 0.638 181 A CB -0.596 18.377 19.000 -0.045 0.000 0.823 181 A HN 2.561 nan 8.150 nan 0.000 0.451 182 G N -2.656 106.102 108.800 -0.070 0.000 2.834 182 G HA2 -0.085 3.843 3.960 -0.054 0.000 0.217 182 G HA3 -0.085 3.843 3.960 -0.054 0.000 0.217 182 G C 0.738 175.620 174.900 -0.030 0.000 0.974 182 G CA 0.593 45.651 45.100 -0.071 0.000 0.826 182 G HN 0.363 nan 8.290 nan 0.000 0.584 183 K N 0.143 120.537 120.400 -0.010 0.000 2.077 183 K HA -0.167 4.120 4.320 -0.054 0.000 0.213 183 K C 2.469 179.079 176.600 0.016 0.000 1.051 183 K CA 2.193 58.486 56.287 0.011 0.000 0.929 183 K CB -0.288 32.221 32.500 0.015 0.000 0.715 183 K HN 0.338 nan 8.250 nan 0.000 0.451 184 T N 1.169 115.730 114.554 0.011 0.000 2.770 184 T HA -0.089 4.229 4.350 -0.054 0.000 0.263 184 T C 1.620 176.327 174.700 0.013 0.000 1.039 184 T CA 0.984 63.095 62.100 0.019 0.000 1.142 184 T CB -0.120 68.764 68.868 0.026 0.000 0.868 184 T HN 0.180 nan 8.240 nan 0.000 0.435 185 E N 1.553 121.750 120.200 -0.004 0.000 2.130 185 E HA -0.119 4.199 4.350 -0.054 0.000 0.196 185 E C 2.124 178.687 176.600 -0.062 0.000 0.998 185 E CA 0.900 57.276 56.400 -0.041 0.000 0.806 185 E CB -0.388 29.279 29.700 -0.054 0.000 0.738 185 E HN 0.458 nan 8.360 nan 0.000 0.459 186 N N -0.295 118.395 118.700 -0.016 0.000 2.290 186 N HA -0.043 4.664 4.740 -0.054 0.000 0.179 186 N C 1.748 177.282 175.510 0.040 0.000 1.016 186 N CA 0.949 54.012 53.050 0.022 0.000 0.871 186 N CB -0.016 38.513 38.487 0.071 0.000 0.987 186 N HN 0.102 nan 8.380 nan 0.000 0.431 187 T N 1.618 116.197 114.554 0.042 0.000 2.746 187 T HA -0.047 4.271 4.350 -0.054 0.000 0.267 187 T C 1.839 176.571 174.700 0.053 0.000 1.039 187 T CA 0.995 63.128 62.100 0.056 0.000 1.142 187 T CB 0.051 68.954 68.868 0.058 0.000 0.866 187 T HN 0.216 nan 8.240 nan 0.000 0.444 188 K N 0.633 121.054 120.400 0.036 0.000 2.152 188 K HA -0.073 4.214 4.320 -0.054 0.000 0.206 188 K C 2.308 178.932 176.600 0.040 0.000 1.048 188 K CA 0.843 57.150 56.287 0.033 0.000 0.933 188 K CB 0.021 32.531 32.500 0.015 0.000 0.721 188 K HN 0.137 nan 8.250 nan 0.000 0.447 189 K N 0.526 120.942 120.400 0.027 0.000 2.167 189 K HA -0.030 4.258 4.320 -0.054 0.000 0.203 189 K C 2.116 178.852 176.600 0.228 0.000 1.052 189 K CA 0.629 56.975 56.287 0.099 0.000 0.956 189 K CB -0.216 32.270 32.500 -0.024 0.000 0.735 189 K HN -0.029 nan 8.250 nan 0.000 0.451 190 V N 1.780 121.787 119.914 0.155 0.000 2.307 190 V HA -0.203 3.885 4.120 -0.054 0.000 0.245 190 V C 2.327 178.523 176.094 0.169 0.000 1.045 190 V CA 1.449 63.849 62.300 0.167 0.000 1.024 190 V CB -0.367 31.524 31.823 0.113 0.000 0.651 190 V HN 0.168 nan 8.190 nan 0.000 0.449 191 I N -0.306 120.331 120.570 0.112 0.000 2.315 191 I HA -0.274 3.864 4.170 -0.054 0.000 0.248 191 I C 2.665 178.822 176.117 0.067 0.000 1.117 191 I CA 1.595 62.938 61.300 0.072 0.000 1.404 191 I CB -0.416 37.607 38.000 0.038 0.000 1.071 191 I HN 0.386 nan 8.210 nan 0.000 0.419 192 Q N 0.441 120.297 119.800 0.094 0.000 2.096 192 Q HA -0.283 4.024 4.340 -0.054 0.000 0.204 192 Q C 2.307 178.332 176.000 0.042 0.000 0.982 192 Q CA 2.072 57.919 55.803 0.074 0.000 0.850 192 Q CB -0.228 28.582 28.738 0.120 0.000 0.901 192 Q HN 0.555 nan 8.270 nan 0.000 0.422 193 Y N 0.839 121.116 120.300 -0.038 0.000 2.109 193 Y HA -0.220 4.297 4.550 -0.054 0.000 0.285 193 Y C 2.071 177.893 175.900 -0.130 0.000 1.131 193 Y CA 1.781 59.783 58.100 -0.162 0.000 1.121 193 Y CB -0.423 37.962 38.460 -0.126 0.000 0.987 193 Y HN 0.071 nan 8.280 nan 0.000 0.495 194 L N -0.046 121.228 121.223 0.085 0.000 2.043 194 L HA -0.314 3.994 4.340 -0.054 0.000 0.212 194 L C 2.725 179.502 176.870 -0.155 0.000 1.075 194 L CA 1.379 56.187 54.840 -0.053 0.000 0.752 194 L CB -1.060 41.040 42.059 0.068 0.000 0.891 194 L HN 0.401 nan 8.230 nan 0.000 0.432 195 A N -0.739 122.012 122.820 -0.114 0.000 2.019 195 A HA -0.098 4.190 4.320 -0.054 0.000 0.219 195 A C 2.086 179.580 177.584 -0.150 0.000 1.164 195 A CA 1.406 53.369 52.037 -0.123 0.000 0.644 195 A CB -0.509 18.440 19.000 -0.085 0.000 0.805 195 A HN 0.260 nan 8.150 nan 0.000 0.449 196 V N -0.046 119.744 119.914 -0.208 0.000 3.623 196 V HA -0.045 4.043 4.120 -0.054 0.000 0.271 196 V C 1.849 177.775 176.094 -0.280 0.000 1.248 196 V CA 1.328 63.490 62.300 -0.230 0.000 1.156 196 V CB 0.038 31.707 31.823 -0.257 0.000 0.870 196 V HN 0.577 nan 8.190 nan 0.000 0.453 197 V N -3.556 116.170 119.914 -0.314 0.000 3.371 197 V HA 0.525 4.613 4.120 -0.054 0.000 0.246 197 V C 1.720 177.740 176.094 -0.124 0.000 1.303 197 V CA 0.902 63.042 62.300 -0.267 0.000 1.156 197 V CB 0.363 31.943 31.823 -0.404 0.000 0.929 197 V HN 0.225 nan 8.190 nan 0.000 0.459 198 A N 0.046 122.792 122.820 -0.124 0.000 2.382 198 A HA 0.499 4.786 4.320 -0.054 0.000 0.228 198 A C 1.367 178.954 177.584 0.006 0.000 1.217 198 A CA 0.526 52.572 52.037 0.014 0.000 0.923 198 A CB 0.059 19.118 19.000 0.099 0.000 0.979 198 A HN 0.398 nan 8.150 nan 0.000 0.515 219 E N 0.604 120.785 120.200 -0.032 0.000 2.021 219 E HA -0.129 4.189 4.350 -0.054 0.000 0.200 219 E C 2.232 178.809 176.600 -0.039 0.000 1.015 219 E CA 1.725 58.107 56.400 -0.030 0.000 0.824 219 E CB -0.626 29.058 29.700 -0.026 0.000 0.762 219 E HN 0.637 nan 8.360 nan 0.000 0.454 220 L N 0.954 122.149 121.223 -0.047 0.000 2.026 220 L HA -0.293 4.015 4.340 -0.054 0.000 0.231 220 L C 2.943 179.774 176.870 -0.065 0.000 1.095 220 L CA 4.358 59.161 54.840 -0.060 0.000 0.810 220 L CB -1.045 40.969 42.059 -0.075 0.000 0.909 220 L HN 0.625 nan 8.230 nan 0.000 0.444 221 E N -0.727 119.431 120.200 -0.069 0.000 2.049 221 E HA -0.324 3.993 4.350 -0.054 0.000 0.198 221 E C 2.323 178.892 176.600 -0.052 0.000 1.007 221 E CA 2.956 59.314 56.400 -0.070 0.000 0.809 221 E CB -1.391 28.267 29.700 -0.072 0.000 0.749 221 E HN 0.660 nan 8.360 nan 0.000 0.450 222 K N 0.676 121.051 120.400 -0.043 0.000 2.063 222 K HA -0.262 4.026 4.320 -0.054 0.000 0.208 222 K C 2.263 178.845 176.600 -0.030 0.000 1.048 222 K CA 1.980 58.247 56.287 -0.032 0.000 0.928 222 K CB -0.741 31.742 32.500 -0.027 0.000 0.713 222 K HN 0.748 nan 8.250 nan 0.000 0.442 223 Q N -0.770 119.011 119.800 -0.032 0.000 2.187 223 Q HA 0.068 4.376 4.340 -0.054 0.000 0.199 223 Q C 2.254 178.234 176.000 -0.033 0.000 0.957 223 Q CA 0.844 56.630 55.803 -0.028 0.000 0.857 223 Q CB -0.208 28.516 28.738 -0.023 0.000 0.929 223 Q HN 0.382 nan 8.270 nan 0.000 0.453 224 L N 1.237 122.433 121.223 -0.044 0.000 2.079 224 L HA -0.153 4.154 4.340 -0.054 0.000 0.210 224 L C 1.787 178.639 176.870 -0.030 0.000 1.081 224 L CA 1.551 56.361 54.840 -0.049 0.000 0.752 224 L CB -0.272 41.745 42.059 -0.069 0.000 0.896 224 L HN 0.209 nan 8.230 nan 0.000 0.433 225 L N -0.839 120.370 121.223 -0.024 0.000 2.599 225 L HA -0.009 4.299 4.340 -0.054 0.000 0.230 225 L C 1.569 178.438 176.870 -0.002 0.000 1.141 225 L CA 0.235 55.070 54.840 -0.009 0.000 0.877 225 L CB -0.615 41.438 42.059 -0.010 0.000 1.009 225 L HN 0.419 nan 8.230 nan 0.000 0.447 226 Q N -0.578 119.214 119.800 -0.012 0.000 2.350 226 Q HA 0.206 4.514 4.340 -0.054 0.000 0.225 226 Q C 2.260 178.253 176.000 -0.011 0.000 0.878 226 Q CA 0.739 56.532 55.803 -0.016 0.000 0.935 226 Q CB 0.257 28.971 28.738 -0.039 0.000 1.099 226 Q HN 0.324 nan 8.270 nan 0.000 0.527 227 A N 2.657 125.472 122.820 -0.008 0.000 1.859 227 A HA -0.285 4.003 4.320 -0.054 0.000 0.218 227 A C 1.912 179.523 177.584 0.045 0.000 1.209 227 A CA 2.041 54.078 52.037 -0.000 0.000 0.639 227 A CB -0.766 18.232 19.000 -0.004 0.000 0.835 227 A HN 0.386 nan 8.150 nan 0.000 0.450 228 N N -0.040 118.705 118.700 0.076 0.000 2.058 228 N HA -0.115 4.592 4.740 -0.054 0.000 0.191 228 N C -0.663 174.940 175.510 0.154 0.000 1.037 228 N CA 1.904 55.037 53.050 0.138 0.000 0.848 228 N CB -1.692 36.871 38.487 0.126 0.000 1.021 228 N HN 0.301 nan 8.380 nan 0.000 0.422 229 P HA -0.119 nan 4.420 nan 0.000 0.217 229 P C 1.518 178.907 177.300 0.148 0.000 1.148 229 P CA 1.052 64.225 63.100 0.121 0.000 0.834 229 P CB -0.016 31.724 31.700 0.066 0.000 0.783 230 I N -1.986 118.650 120.570 0.110 0.000 2.235 230 I HA -0.158 3.980 4.170 -0.054 0.000 0.241 230 I C 2.371 178.656 176.117 0.280 0.000 1.085 230 I CA 0.970 62.354 61.300 0.140 0.000 1.378 230 I CB -0.635 37.350 38.000 -0.024 0.000 1.076 230 I HN -0.146 nan 8.210 nan 0.000 0.415 231 L N 0.494 121.836 121.223 0.198 0.000 2.012 231 L HA -0.260 4.047 4.340 -0.054 0.000 0.210 231 L C 2.530 179.680 176.870 0.468 0.000 1.073 231 L CA 1.608 56.596 54.840 0.247 0.000 0.748 231 L CB -0.579 41.603 42.059 0.204 0.000 0.891 231 L HN 0.252 nan 8.230 nan 0.000 0.431 232 E N -0.124 120.336 120.200 0.433 0.000 2.097 232 E HA -0.270 4.047 4.350 -0.054 0.000 0.196 232 E C 2.205 179.038 176.600 0.390 0.000 1.000 232 E CA 1.443 58.112 56.400 0.448 0.000 0.804 232 E CB -0.138 29.774 29.700 0.354 0.000 0.740 232 E HN 0.491 nan 8.360 nan 0.000 0.454 233 A N -0.484 122.520 122.820 0.307 0.000 1.978 233 A HA -0.166 4.122 4.320 -0.054 0.000 0.220 233 A C 1.683 179.162 177.584 -0.176 0.000 1.170 233 A CA 1.313 53.384 52.037 0.057 0.000 0.636 233 A CB -0.459 18.527 19.000 -0.023 0.000 0.810 233 A HN 0.299 nan 8.150 nan 0.000 0.448 234 F N -1.667 118.421 119.950 0.231 0.000 2.678 234 F HA 0.272 4.770 4.527 -0.047 0.000 0.291 234 F C 2.243 178.175 175.800 0.219 0.000 1.123 234 F CA 0.630 58.771 58.000 0.235 0.000 1.395 234 F CB 0.169 39.264 39.000 0.159 0.000 1.121 234 F HN 0.255 nan 8.300 nan 0.000 0.592 235 G N -1.080 108.001 108.800 0.467 0.000 3.192 235 G HA2 0.098 4.026 3.960 -0.054 0.000 0.239 235 G HA3 0.098 4.026 3.960 -0.054 0.000 0.239 235 G C 0.016 175.357 174.900 0.735 0.000 1.084 235 G CA -0.061 45.207 45.100 0.280 0.000 0.784 235 G HN 0.059 nan 8.290 nan 0.000 0.540 236 N N 0.204 119.184 118.700 0.468 0.000 2.472 236 N HA 0.780 5.487 4.740 -0.054 0.000 0.289 236 N C -0.335 174.918 175.510 -0.427 0.000 1.156 236 N CA 0.164 53.275 53.050 0.101 0.000 0.940 236 N CB 1.944 40.499 38.487 0.113 0.000 1.200 236 N HN 0.250 nan 8.380 nan 0.000 0.511 237 A N 0.224 122.781 122.820 -0.439 0.000 2.601 237 A HA 0.435 4.722 4.320 -0.054 0.000 0.291 237 A C -1.380 176.143 177.584 -0.102 0.000 1.075 237 A CA -0.806 50.957 52.037 -0.456 0.000 0.671 237 A CB 0.909 19.590 19.000 -0.532 0.000 1.277 237 A HN 0.594 nan 8.150 nan 0.000 0.417 238 K N 1.256 121.651 120.400 -0.009 0.000 2.316 238 K HA 0.480 4.768 4.320 -0.054 0.000 0.289 238 K C 0.144 176.688 176.600 -0.093 0.000 1.070 238 K CA 0.519 56.802 56.287 -0.007 0.000 0.928 238 K CB 0.355 32.826 32.500 -0.048 0.000 1.039 238 K HN 0.910 nan 8.250 nan 0.000 0.480 239 T N -0.204 114.319 114.554 -0.052 0.000 2.949 239 T HA 0.198 4.515 4.350 -0.054 0.000 0.287 239 T C 1.392 176.078 174.700 -0.023 0.000 1.034 239 T CA -0.486 61.563 62.100 -0.085 0.000 1.018 239 T CB 1.330 70.226 68.868 0.048 0.000 1.135 239 T HN 0.354 nan 8.240 nan 0.000 0.532 240 V N -0.199 119.698 119.914 -0.029 0.000 2.594 240 V HA -0.051 4.036 4.120 -0.054 0.000 0.253 240 V C 2.190 178.327 176.094 0.072 0.000 1.069 240 V CA 1.019 63.327 62.300 0.013 0.000 1.082 240 V CB -1.192 30.643 31.823 0.021 0.000 0.680 240 V HN 0.802 nan 8.190 nan 0.000 0.469 241 K N 0.777 121.275 120.400 0.163 0.000 2.137 241 K HA 0.135 4.423 4.320 -0.054 0.000 0.202 241 K C 0.622 177.290 176.600 0.112 0.000 1.052 241 K CA 0.613 56.972 56.287 0.121 0.000 0.961 241 K CB -0.164 32.404 32.500 0.113 0.000 0.741 241 K HN 0.592 nan 8.250 nan 0.000 0.452 242 N N 0.499 119.265 118.700 0.110 0.000 2.308 242 N HA 0.068 4.776 4.740 -0.054 0.000 0.283 242 N C -0.670 174.888 175.510 0.080 0.000 1.105 242 N CA -0.197 52.917 53.050 0.107 0.000 0.840 242 N CB 1.905 40.461 38.487 0.115 0.000 1.633 242 N HN -0.265 nan 8.380 nan 0.000 0.476 243 D N 0.578 121.024 120.400 0.077 0.000 2.194 243 D HA -0.047 4.561 4.640 -0.054 0.000 0.204 243 D C 0.211 176.600 176.300 0.149 0.000 0.964 243 D CA 1.110 55.150 54.000 0.065 0.000 0.846 243 D CB 0.142 40.957 40.800 0.026 0.000 0.962 243 D HN 0.575 nan 8.370 nan 0.000 0.490 244 N N 0.181 118.983 118.700 0.170 0.000 2.806 244 N HA 0.014 4.722 4.740 -0.054 0.000 0.315 244 N C -1.216 174.408 175.510 0.190 0.000 1.738 244 N CA -0.174 53.043 53.050 0.279 0.000 0.993 244 N CB 0.381 38.998 38.487 0.218 0.000 1.324 244 N HN -0.263 nan 8.380 nan 0.000 0.493 245 S N 0.254 116.030 115.700 0.126 0.000 2.499 245 S HA 0.262 4.699 4.470 -0.054 0.000 0.275 245 S C -0.110 174.513 174.600 0.039 0.000 1.257 245 S CA -0.506 57.735 58.200 0.069 0.000 1.050 245 S CB 0.179 63.417 63.200 0.064 0.000 0.937 245 S HN 0.373 nan 8.310 nan 0.000 0.490 246 S N 5.223 120.914 115.700 -0.015 0.000 2.465 246 S HA 0.228 4.666 4.470 -0.054 0.000 0.280 246 S C 0.514 175.062 174.600 -0.088 0.000 1.232 246 S CA -0.583 57.525 58.200 -0.153 0.000 1.066 246 S CB 0.237 63.206 63.200 -0.385 0.000 0.929 246 S HN 0.575 nan 8.310 nan 0.000 0.494 247 R N 2.553 123.127 120.500 0.122 0.000 2.893 247 R HA 0.304 4.612 4.340 -0.054 0.000 0.317 247 R C -0.719 175.769 176.300 0.313 0.000 1.239 247 R CA -0.305 55.915 56.100 0.199 0.000 1.128 247 R CB -1.140 29.316 30.300 0.261 0.000 1.377 247 R HN 0.692 nan 8.270 nan 0.000 0.583 248 F N -4.399 115.598 119.950 0.079 0.000 2.690 248 F HA 0.602 5.099 4.527 -0.051 0.000 0.311 248 F C -0.037 175.858 175.800 0.158 0.000 1.111 248 F CA -1.737 56.313 58.000 0.083 0.000 1.003 248 F CB 0.368 39.385 39.000 0.029 0.000 1.283 248 F HN -0.049 nan 8.300 nan 0.000 0.442 249 G N 1.582 110.529 108.800 0.246 0.000 2.572 249 G HA2 0.526 4.453 3.960 -0.054 0.000 0.261 249 G HA3 0.526 4.453 3.960 -0.054 0.000 0.261 249 G C -1.457 173.727 174.900 0.473 0.000 1.197 249 G CA -0.687 44.560 45.100 0.245 0.000 0.870 249 G HN 1.068 nan 8.290 nan 0.000 0.548 250 K N -0.356 120.292 120.400 0.413 0.000 2.561 250 K HA 0.363 4.651 4.320 -0.054 0.000 0.254 250 K C -2.351 174.522 176.600 0.454 0.000 0.942 250 K CA -0.833 55.732 56.287 0.463 0.000 0.818 250 K CB 1.718 34.463 32.500 0.408 0.000 1.306 250 K HN 0.308 nan 8.250 nan 0.000 0.435 251 F N 5.877 126.015 119.950 0.313 0.000 2.347 251 F HA 0.468 4.962 4.527 -0.055 0.000 0.366 251 F C -1.144 174.735 175.800 0.132 0.000 1.107 251 F CA -1.243 56.891 58.000 0.222 0.000 1.058 251 F CB 0.550 39.719 39.000 0.281 0.000 1.236 251 F HN 0.435 nan 8.300 nan 0.000 0.456 252 I N 6.434 126.842 120.570 -0.270 0.000 2.325 252 I HA 0.351 4.488 4.170 -0.054 0.000 0.291 252 I C 0.041 175.838 176.117 -0.533 0.000 1.019 252 I CA -0.208 60.918 61.300 -0.291 0.000 1.302 252 I CB 0.907 38.842 38.000 -0.110 0.000 1.401 252 I HN 0.466 nan 8.210 nan 0.000 0.485 253 R N 7.989 128.203 120.500 -0.477 0.000 2.288 253 R HA 0.534 4.842 4.340 -0.054 0.000 0.326 253 R C -1.241 174.978 176.300 -0.134 0.000 0.959 253 R CA -0.550 55.325 56.100 -0.375 0.000 0.834 253 R CB 0.715 30.708 30.300 -0.512 0.000 1.157 253 R HN 0.625 nan 8.270 nan 0.000 0.470 254 I N 4.469 125.044 120.570 0.007 0.000 2.342 254 I HA 0.178 4.315 4.170 -0.054 0.000 0.291 254 I C -0.111 175.992 176.117 -0.022 0.000 1.010 254 I CA -0.720 60.526 61.300 -0.090 0.000 1.308 254 I CB 1.276 39.176 38.000 -0.167 0.000 1.400 254 I HN 0.452 nan 8.210 nan 0.000 0.488 255 N N 6.876 125.483 118.700 -0.156 0.000 2.438 255 N HA 0.493 5.200 4.740 -0.054 0.000 0.282 255 N C -0.961 174.446 175.510 -0.170 0.000 1.037 255 N CA -0.173 52.882 53.050 0.007 0.000 0.942 255 N CB 1.523 40.016 38.487 0.009 0.000 1.136 255 N HN 0.239 nan 8.380 nan 0.000 0.481 256 F N -0.117 119.889 119.950 0.093 0.000 2.598 256 F HA 0.305 4.802 4.527 -0.051 0.000 0.327 256 F C 0.728 176.570 175.800 0.070 0.000 1.057 256 F CA -1.145 56.906 58.000 0.085 0.000 0.957 256 F CB 0.908 39.988 39.000 0.134 0.000 1.278 256 F HN 0.321 nan 8.300 nan 0.000 0.484 257 D N -0.409 120.146 120.400 0.258 0.000 2.451 257 D HA 0.236 4.844 4.640 -0.054 0.000 0.259 257 D C 1.133 177.514 176.300 0.136 0.000 1.201 257 D CA -0.535 53.556 54.000 0.151 0.000 1.028 257 D CB 0.315 41.174 40.800 0.099 0.000 1.095 257 D HN 0.370 nan 8.370 nan 0.000 0.539 258 V N -2.679 117.283 119.914 0.080 0.000 2.867 258 V HA -0.179 3.909 4.120 -0.054 0.000 0.260 258 V C 1.578 177.691 176.094 0.032 0.000 1.099 258 V CA 1.874 64.201 62.300 0.044 0.000 1.122 258 V CB -1.583 30.256 31.823 0.027 0.000 0.708 258 V HN 0.618 nan 8.190 nan 0.000 0.490 259 T N 0.094 114.681 114.554 0.055 0.000 2.985 259 T HA 0.346 4.664 4.350 -0.054 0.000 0.266 259 T C 1.659 176.398 174.700 0.065 0.000 1.076 259 T CA 1.359 63.486 62.100 0.046 0.000 1.135 259 T CB 0.063 68.964 68.868 0.055 0.000 0.890 259 T HN 1.163 nan 8.240 nan 0.000 0.480 260 G N -0.592 108.288 108.800 0.134 0.000 2.211 260 G HA2 -0.062 3.865 3.960 -0.054 0.000 0.201 260 G HA3 -0.062 3.865 3.960 -0.054 0.000 0.201 260 G C 0.124 175.309 174.900 0.476 0.000 0.997 260 G CA -0.176 45.059 45.100 0.224 0.000 0.652 260 G HN 0.866 nan 8.290 nan 0.000 0.500 261 Y N 1.141 121.630 120.300 0.316 0.000 2.309 261 Y HA 0.702 5.220 4.550 -0.054 0.000 0.327 261 Y C 1.056 177.072 175.900 0.193 0.000 1.172 261 Y CA -0.491 57.755 58.100 0.243 0.000 1.280 261 Y CB 0.330 38.858 38.460 0.115 0.000 1.234 261 Y HN 0.424 nan 8.280 nan 0.000 0.512 262 I N 3.230 123.801 120.570 0.001 0.000 2.710 262 I HA 0.032 4.169 4.170 -0.054 0.000 0.286 262 I C 0.742 176.759 176.117 -0.167 0.000 1.181 262 I CA 0.677 61.783 61.300 -0.324 0.000 1.430 262 I CB 0.955 38.726 38.000 -0.382 0.000 1.367 262 I HN 0.678 nan 8.210 nan 0.000 0.577 263 V N 4.617 124.419 119.914 -0.187 0.000 3.058 263 V HA 0.328 4.415 4.120 -0.054 0.000 0.233 263 V C 0.746 176.775 176.094 -0.108 0.000 1.255 263 V CA 0.958 63.202 62.300 -0.093 0.000 1.267 263 V CB 0.980 32.786 31.823 -0.028 0.000 1.049 263 V HN 0.933 nan 8.190 nan 0.000 0.486 264 G N -1.000 107.717 108.800 -0.139 0.000 3.135 264 G HA2 0.808 4.735 3.960 -0.054 0.000 0.278 264 G HA3 0.808 4.735 3.960 -0.054 0.000 0.278 264 G C -1.414 173.391 174.900 -0.157 0.000 1.302 264 G CA -0.174 44.853 45.100 -0.121 0.000 0.880 264 G HN 0.947 nan 8.290 nan 0.000 0.574 265 A N -0.545 122.196 122.820 -0.132 0.000 2.573 265 A HA 0.596 4.883 4.320 -0.054 0.000 0.312 265 A C -1.437 176.071 177.584 -0.126 0.000 1.041 265 A CA -0.382 51.572 52.037 -0.139 0.000 0.880 265 A CB 0.814 19.730 19.000 -0.139 0.000 1.249 265 A HN 1.257 nan 8.150 nan 0.000 0.385 266 N N 1.685 120.302 118.700 -0.138 0.000 2.480 266 N HA 0.664 5.372 4.740 -0.054 0.000 0.289 266 N C -1.336 174.092 175.510 -0.137 0.000 1.073 266 N CA -0.442 52.528 53.050 -0.134 0.000 0.885 266 N CB 0.971 39.380 38.487 -0.130 0.000 1.421 266 N HN 0.551 nan 8.380 nan 0.000 0.503 267 I N 1.936 122.438 120.570 -0.113 0.000 2.315 267 I HA 0.288 4.425 4.170 -0.054 0.000 0.291 267 I C -0.043 176.032 176.117 -0.069 0.000 1.006 267 I CA -0.642 60.611 61.300 -0.078 0.000 1.265 267 I CB 1.406 39.375 38.000 -0.051 0.000 1.387 267 I HN 0.578 nan 8.210 nan 0.000 0.475 268 E N 5.561 125.751 120.200 -0.018 0.000 2.158 268 E HA 0.458 4.776 4.350 -0.054 0.000 0.271 268 E C -0.623 175.893 176.600 -0.140 0.000 0.911 268 E CA -0.606 55.735 56.400 -0.099 0.000 0.767 268 E CB 1.365 31.040 29.700 -0.042 0.000 1.120 268 E HN 0.621 nan 8.360 nan 0.000 0.405 269 T N 1.651 116.071 114.554 -0.223 0.000 2.918 269 T HA 0.617 4.935 4.350 -0.054 0.000 0.286 269 T C -0.861 173.663 174.700 -0.293 0.000 1.026 269 T CA -0.530 61.558 62.100 -0.019 0.000 1.031 269 T CB 0.545 69.571 68.868 0.262 0.000 1.046 269 T HN 0.384 nan 8.240 nan 0.000 0.479 270 Y N 1.148 121.649 120.300 0.336 0.000 2.512 270 Y HA 0.593 5.113 4.550 -0.050 0.000 0.348 270 Y C 0.028 176.044 175.900 0.194 0.000 0.990 270 Y CA -1.842 56.426 58.100 0.280 0.000 1.033 270 Y CB 1.491 40.156 38.460 0.340 0.000 1.259 270 Y HN 0.831 nan 8.280 nan 0.000 0.461 271 L N 2.564 123.918 121.223 0.217 0.000 3.798 271 L HA -0.219 4.089 4.340 -0.054 0.000 0.582 271 L C -1.233 175.680 176.870 0.073 0.000 1.096 271 L CA 0.345 55.179 54.840 -0.009 0.000 0.892 271 L CB -0.816 41.084 42.059 -0.264 0.000 1.181 271 L HN 0.567 nan 8.230 nan 0.000 0.772 272 L N 3.291 124.553 121.223 0.064 0.000 2.360 272 L HA 0.252 4.560 4.340 -0.054 0.000 0.276 272 L C 1.026 177.936 176.870 0.066 0.000 1.121 272 L CA 0.414 55.268 54.840 0.022 0.000 0.845 272 L CB 0.879 42.801 42.059 -0.229 0.000 1.143 272 L HN 0.543 nan 8.230 nan 0.000 0.452 273 E N 3.795 124.091 120.200 0.161 0.000 2.053 273 E HA -0.040 4.277 4.350 -0.054 0.000 0.297 273 E C 0.640 177.389 176.600 0.249 0.000 1.173 273 E CA 0.018 56.513 56.400 0.158 0.000 1.219 273 E CB 0.231 30.006 29.700 0.126 0.000 1.103 273 E HN 0.664 nan 8.360 nan 0.000 0.476 274 K N 0.123 120.616 120.400 0.155 0.000 2.074 274 K HA -0.196 4.092 4.320 -0.054 0.000 0.209 274 K C 1.997 178.645 176.600 0.081 0.000 1.048 274 K CA 1.744 58.122 56.287 0.152 0.000 0.926 274 K CB 0.011 32.568 32.500 0.095 0.000 0.713 274 K HN 0.267 nan 8.250 nan 0.000 0.444 275 S N 1.318 117.031 115.700 0.022 0.000 2.389 275 S HA -0.304 4.133 4.470 -0.054 0.000 0.231 275 S C 1.900 176.423 174.600 -0.129 0.000 1.052 275 S CA 1.803 59.968 58.200 -0.059 0.000 1.053 275 S CB -0.492 62.685 63.200 -0.037 0.000 0.886 275 S HN 0.373 nan 8.310 nan 0.000 0.456 276 R N 1.894 122.333 120.500 -0.102 0.000 2.200 276 R HA -0.087 4.221 4.340 -0.054 0.000 0.234 276 R C 2.238 178.364 176.300 -0.290 0.000 1.127 276 R CA 1.141 57.090 56.100 -0.253 0.000 0.989 276 R CB -0.584 29.432 30.300 -0.473 0.000 0.869 276 R HN 0.445 nan 8.270 nan 0.000 0.459 277 A N 1.491 124.216 122.820 -0.158 0.000 2.019 277 A HA -0.110 4.178 4.320 -0.054 0.000 0.219 277 A C 2.031 179.207 177.584 -0.680 0.000 1.164 277 A CA 1.529 53.353 52.037 -0.355 0.000 0.644 277 A CB -0.479 18.338 19.000 -0.305 0.000 0.805 277 A HN 0.630 nan 8.150 nan 0.000 0.449 278 I N -5.237 114.878 120.570 -0.758 0.000 4.154 278 I HA 0.468 4.605 4.170 -0.054 0.000 0.334 278 I C 0.182 175.937 176.117 -0.603 0.000 1.371 278 I CA -0.026 60.497 61.300 -1.295 0.000 1.110 278 I CB 0.212 37.333 38.000 -1.466 0.000 1.085 278 I HN 0.161 nan 8.210 nan 0.000 0.398 279 R N 1.253 121.538 120.500 -0.359 0.000 2.725 279 R HA 0.441 4.748 4.340 -0.054 0.000 0.254 279 R C -1.883 174.307 176.300 -0.184 0.000 1.076 279 R CA -0.384 55.600 56.100 -0.194 0.000 0.940 279 R CB 1.687 31.905 30.300 -0.137 0.000 1.260 279 R HN 0.219 nan 8.270 nan 0.000 0.466 280 Q N 1.039 120.755 119.800 -0.140 0.000 2.345 280 Q HA 0.634 4.941 4.340 -0.054 0.000 0.275 280 Q C -0.992 174.929 176.000 -0.131 0.000 1.063 280 Q CA -0.675 55.030 55.803 -0.163 0.000 0.819 280 Q CB 2.233 30.874 28.738 -0.161 0.000 1.356 280 Q HN 0.715 nan 8.270 nan 0.000 0.418 281 A N 1.288 124.008 122.820 -0.167 0.000 2.292 281 A HA 0.517 4.805 4.320 -0.054 0.000 0.265 281 A C -0.104 177.409 177.584 -0.118 0.000 1.133 281 A CA -0.338 51.618 52.037 -0.135 0.000 0.807 281 A CB 0.149 19.047 19.000 -0.169 0.000 1.102 281 A HN 0.597 nan 8.150 nan 0.000 0.502 282 K N 0.309 120.656 120.400 -0.089 0.000 2.559 282 K HA -0.033 4.254 4.320 -0.054 0.000 0.279 282 K C 0.020 176.567 176.600 -0.088 0.000 0.967 282 K CA 1.359 57.603 56.287 -0.071 0.000 1.000 282 K CB -0.234 32.234 32.500 -0.053 0.000 0.890 282 K HN 0.642 nan 8.250 nan 0.000 0.501 283 D N 1.481 121.836 120.400 -0.076 0.000 2.931 283 D HA -0.212 4.396 4.640 -0.054 0.000 0.228 283 D C -0.723 175.507 176.300 -0.116 0.000 1.180 283 D CA 1.171 55.119 54.000 -0.087 0.000 0.784 283 D CB -0.188 40.568 40.800 -0.074 0.000 1.093 283 D HN 0.604 nan 8.370 nan 0.000 0.421 284 E N -0.133 119.989 120.200 -0.129 0.000 2.227 284 E HA 0.503 4.820 4.350 -0.054 0.000 0.268 284 E C 0.528 177.041 176.600 -0.145 0.000 0.907 284 E CA -0.715 55.587 56.400 -0.163 0.000 0.786 284 E CB 2.501 32.073 29.700 -0.214 0.000 1.191 284 E HN 0.207 nan 8.360 nan 0.000 0.411 285 R N 0.261 120.662 120.500 -0.166 0.000 2.867 285 R HA 0.513 4.821 4.340 -0.054 0.000 0.268 285 R C -0.012 176.245 176.300 -0.072 0.000 1.014 285 R CA -0.585 55.454 56.100 -0.102 0.000 0.946 285 R CB 1.562 31.622 30.300 -0.401 0.000 1.208 285 R HN 0.472 nan 8.270 nan 0.000 0.477 286 T N -0.090 114.546 114.554 0.136 0.000 2.801 286 T HA 0.301 4.619 4.350 -0.054 0.000 0.324 286 T C -0.258 174.410 174.700 -0.053 0.000 1.088 286 T CA -0.531 61.498 62.100 -0.118 0.000 0.975 286 T CB -0.005 68.759 68.868 -0.173 0.000 1.316 286 T HN 0.276 nan 8.240 nan 0.000 0.533 287 F N 1.939 121.963 119.950 0.124 0.000 2.602 287 F HA 0.139 4.636 4.527 -0.051 0.000 0.385 287 F C 1.878 177.758 175.800 0.135 0.000 1.063 287 F CA 0.005 58.048 58.000 0.072 0.000 1.233 287 F CB -0.016 39.060 39.000 0.128 0.000 1.067 287 F HN 0.612 nan 8.300 nan 0.000 0.564 288 H N 2.334 121.455 119.070 0.086 0.000 2.330 288 H HA -0.258 4.266 4.556 -0.054 0.000 0.290 288 H C 2.336 177.260 175.328 -0.673 0.000 1.111 288 H CA 2.187 58.038 56.048 -0.328 0.000 1.226 288 H CB -0.476 28.865 29.762 -0.700 0.000 1.355 288 H HN 0.618 nan 8.280 nan 0.000 0.485 289 I N 0.669 120.926 120.570 -0.521 0.000 2.236 289 I HA -0.276 3.861 4.170 -0.054 0.000 0.249 289 I C 1.964 177.938 176.117 -0.238 0.000 1.102 289 I CA 1.018 62.001 61.300 -0.528 0.000 1.365 289 I CB -0.706 36.792 38.000 -0.838 0.000 1.051 289 I HN -0.018 nan 8.210 nan 0.000 0.420 290 F N -0.607 119.332 119.950 -0.020 0.000 2.075 290 F HA -0.234 4.261 4.527 -0.053 0.000 0.297 290 F C 2.315 178.075 175.800 -0.067 0.000 1.113 290 F CA 1.918 59.856 58.000 -0.105 0.000 1.218 290 F CB -1.292 37.562 39.000 -0.243 0.000 0.984 290 F HN 0.062 nan 8.300 nan 0.000 0.472 291 Y N -1.806 118.736 120.300 0.403 0.000 2.274 291 Y HA -0.252 4.266 4.550 -0.054 0.000 0.290 291 Y C 2.292 178.544 175.900 0.588 0.000 1.145 291 Y CA 0.993 59.456 58.100 0.605 0.000 1.203 291 Y CB -0.877 37.848 38.460 0.442 0.000 0.984 291 Y HN 0.008 nan 8.280 nan 0.000 0.533 292 Y N -0.732 119.772 120.300 0.339 0.000 2.092 292 Y HA -0.232 4.285 4.550 -0.055 0.000 0.282 292 Y C 2.404 178.242 175.900 -0.102 0.000 1.126 292 Y CA 0.636 58.870 58.100 0.223 0.000 1.111 292 Y CB -1.346 37.290 38.460 0.293 0.000 0.987 292 Y HN 0.142 nan 8.280 nan 0.000 0.489 293 L N 0.355 121.563 121.223 -0.024 0.000 1.990 293 L HA -0.218 4.090 4.340 -0.054 0.000 0.213 293 L C 2.216 178.845 176.870 -0.402 0.000 1.072 293 L CA 1.751 56.296 54.840 -0.493 0.000 0.755 293 L CB -1.002 40.962 42.059 -0.159 0.000 0.889 293 L HN 0.196 nan 8.230 nan 0.000 0.432 294 I N -0.440 120.002 120.570 -0.213 0.000 2.335 294 I HA -0.288 3.849 4.170 -0.054 0.000 0.251 294 I C 2.327 178.320 176.117 -0.207 0.000 1.129 294 I CA 1.237 62.344 61.300 -0.322 0.000 1.402 294 I CB -0.447 37.134 38.000 -0.697 0.000 1.069 294 I HN 0.439 nan 8.210 nan 0.000 0.424 295 A N -0.362 122.516 122.820 0.098 0.000 2.147 295 A HA 0.252 4.539 4.320 -0.054 0.000 0.211 295 A C 1.977 179.585 177.584 0.039 0.000 1.160 295 A CA 0.995 53.185 52.037 0.255 0.000 0.781 295 A CB -0.215 19.108 19.000 0.539 0.000 0.842 295 A HN 0.418 nan 8.150 nan 0.000 0.475 296 G N -1.086 107.603 108.800 -0.185 0.000 3.528 296 G HA2 0.462 4.390 3.960 -0.054 0.000 0.266 296 G HA3 0.462 4.390 3.960 -0.054 0.000 0.266 296 G C 0.428 175.173 174.900 -0.259 0.000 1.004 296 G CA 0.630 45.636 45.100 -0.155 0.000 0.853 296 G HN 0.631 nan 8.290 nan 0.000 0.501 297 A N 1.227 123.778 122.820 -0.448 0.000 2.440 297 A HA 0.563 4.850 4.320 -0.054 0.000 0.251 297 A C 1.098 178.671 177.584 -0.019 0.000 1.089 297 A CA 0.309 52.208 52.037 -0.230 0.000 0.779 297 A CB 0.212 19.069 19.000 -0.237 0.000 1.022 297 A HN 1.007 nan 8.150 nan 0.000 0.492 298 S N 1.429 117.177 115.700 0.080 0.000 2.573 298 S HA 0.032 4.470 4.470 -0.054 0.000 0.277 298 S C 0.923 175.539 174.600 0.028 0.000 1.346 298 S CA 0.443 58.681 58.200 0.063 0.000 1.034 298 S CB 0.756 64.005 63.200 0.081 0.000 0.879 298 S HN 0.815 nan 8.310 nan 0.000 0.528 299 E N 1.723 121.934 120.200 0.019 0.000 2.171 299 E HA -0.266 4.051 4.350 -0.054 0.000 0.197 299 E C 2.530 179.134 176.600 0.007 0.000 0.997 299 E CA 1.794 58.198 56.400 0.006 0.000 0.810 299 E CB -0.521 29.182 29.700 0.006 0.000 0.738 299 E HN 0.943 nan 8.360 nan 0.000 0.467 300 Q N 0.210 120.020 119.800 0.017 0.000 2.230 300 Q HA -0.044 4.263 4.340 -0.054 0.000 0.202 300 Q C 1.721 177.732 176.000 0.019 0.000 0.963 300 Q CA 1.527 57.340 55.803 0.016 0.000 0.866 300 Q CB -0.563 28.188 28.738 0.021 0.000 0.931 300 Q HN 0.497 nan 8.270 nan 0.000 0.452 301 M N -1.115 118.502 119.600 0.028 0.000 2.357 301 M HA 0.074 4.521 4.480 -0.054 0.000 0.266 301 M C 2.212 178.519 176.300 0.011 0.000 1.095 301 M CA 1.186 56.506 55.300 0.033 0.000 1.156 301 M CB 0.288 32.928 32.600 0.067 0.000 1.365 301 M HN 0.338 nan 8.290 nan 0.000 0.447 302 R N 1.902 122.400 120.500 -0.004 0.000 2.113 302 R HA -0.186 4.121 4.340 -0.054 0.000 0.244 302 R C 1.580 177.870 176.300 -0.018 0.000 1.142 302 R CA 2.553 58.639 56.100 -0.023 0.000 0.953 302 R CB -1.058 29.226 30.300 -0.027 0.000 0.860 302 R HN 0.838 nan 8.270 nan 0.000 0.438 303 N N -1.525 117.166 118.700 -0.015 0.000 2.280 303 N HA -0.050 4.658 4.740 -0.054 0.000 0.192 303 N C 0.765 176.263 175.510 -0.020 0.000 1.109 303 N CA 0.483 53.519 53.050 -0.025 0.000 0.855 303 N CB 0.166 38.637 38.487 -0.027 0.000 0.974 303 N HN 0.088 nan 8.380 nan 0.000 0.482 304 D N 1.217 121.617 120.400 -0.000 0.000 2.213 304 D HA 0.007 4.615 4.640 -0.054 0.000 0.205 304 D C 1.619 177.937 176.300 0.029 0.000 0.961 304 D CA 0.624 54.635 54.000 0.017 0.000 0.853 304 D CB 0.102 40.917 40.800 0.026 0.000 0.967 304 D HN 0.294 nan 8.370 nan 0.000 0.496 305 L N -0.178 121.056 121.223 0.019 0.000 2.585 305 L HA 0.258 4.566 4.340 -0.054 0.000 0.226 305 L C 0.632 177.514 176.870 0.020 0.000 1.113 305 L CA -0.025 54.832 54.840 0.029 0.000 0.876 305 L CB 0.162 42.235 42.059 0.023 0.000 1.072 305 L HN 0.043 nan 8.230 nan 0.000 0.468 306 L N 0.205 121.422 121.223 -0.009 0.000 3.717 306 L HA -0.237 4.071 4.340 -0.054 0.000 0.411 306 L C 0.071 176.950 176.870 0.015 0.000 1.233 306 L CA 0.053 54.874 54.840 -0.031 0.000 0.917 306 L CB -1.857 40.159 42.059 -0.072 0.000 1.902 306 L HN 0.219 nan 8.230 nan 0.000 0.894 307 L N 0.195 121.437 121.223 0.031 0.000 2.467 307 L HA 0.169 4.477 4.340 -0.054 0.000 0.270 307 L C 1.059 177.958 176.870 0.047 0.000 1.205 307 L CA 0.642 55.539 54.840 0.096 0.000 0.828 307 L CB 0.940 43.011 42.059 0.021 0.000 1.101 307 L HN 0.200 nan 8.230 nan 0.000 0.479 308 E N -0.289 119.977 120.200 0.110 0.000 2.639 308 E HA 0.546 4.864 4.350 -0.054 0.000 0.219 308 E C -0.365 176.167 176.600 -0.114 0.000 0.800 308 E CA -0.623 55.660 56.400 -0.196 0.000 1.002 308 E CB 1.135 30.360 29.700 -0.792 0.000 1.621 308 E HN 0.624 nan 8.360 nan 0.000 0.396 309 G N -0.633 108.039 108.800 -0.214 0.000 2.491 309 G HA2 0.251 4.178 3.960 -0.054 0.000 0.327 309 G HA3 0.251 4.178 3.960 -0.054 0.000 0.327 309 G C -0.322 174.539 174.900 -0.065 0.000 1.189 309 G CA -0.441 44.580 45.100 -0.131 0.000 0.956 309 G HN 0.401 nan 8.290 nan 0.000 0.491 310 F N 0.141 120.171 119.950 0.133 0.000 2.307 310 F HA -0.080 4.414 4.527 -0.054 0.000 0.301 310 F C 2.290 178.176 175.800 0.143 0.000 1.076 310 F CA 1.298 59.411 58.000 0.188 0.000 1.383 310 F CB 0.214 39.358 39.000 0.240 0.000 1.055 310 F HN 0.438 nan 8.300 nan 0.000 0.526 311 N N -0.892 117.929 118.700 0.201 0.000 2.238 311 N HA 0.065 4.773 4.740 -0.054 0.000 0.222 311 N C 0.165 175.669 175.510 -0.010 0.000 1.133 311 N CA 0.110 53.225 53.050 0.109 0.000 0.854 311 N CB -0.397 38.145 38.487 0.093 0.000 1.041 311 N HN 0.369 nan 8.380 nan 0.000 0.510 312 N N -0.434 118.192 118.700 -0.123 0.000 2.254 312 N HA 0.074 4.782 4.740 -0.054 0.000 0.190 312 N C -0.954 174.293 175.510 -0.440 0.000 1.107 312 N CA -0.017 52.841 53.050 -0.320 0.000 0.869 312 N CB 0.309 38.505 38.487 -0.484 0.000 0.983 312 N HN 0.113 nan 8.380 nan 0.000 0.487 313 Y N -0.075 120.187 120.300 -0.063 0.000 2.328 313 Y HA 0.180 4.698 4.550 -0.053 0.000 0.337 313 Y C 1.445 177.314 175.900 -0.052 0.000 0.966 313 Y CA -1.090 56.956 58.100 -0.090 0.000 1.136 313 Y CB 1.649 40.045 38.460 -0.106 0.000 1.170 313 Y HN -0.107 nan 8.280 nan 0.000 0.470 314 T N 0.978 115.577 114.554 0.076 0.000 3.067 314 T HA -0.063 4.254 4.350 -0.054 0.000 0.261 314 T C 1.381 176.206 174.700 0.209 0.000 1.110 314 T CA 0.968 63.114 62.100 0.077 0.000 1.113 314 T CB -0.221 68.652 68.868 0.010 0.000 0.917 314 T HN 0.426 nan 8.240 nan 0.000 0.499 315 F N 1.307 121.236 119.950 -0.034 0.000 2.661 315 F HA 0.425 4.919 4.527 -0.055 0.000 0.298 315 F C 1.287 176.985 175.800 -0.170 0.000 1.137 315 F CA -0.476 57.444 58.000 -0.134 0.000 1.454 315 F CB -0.317 38.544 39.000 -0.232 0.000 1.103 315 F HN 0.244 nan 8.300 nan 0.000 0.577 316 L N -0.401 120.878 121.223 0.095 0.000 2.796 316 L HA 0.095 4.402 4.340 -0.054 0.000 0.235 316 L C 1.661 178.597 176.870 0.110 0.000 1.344 316 L CA -0.192 54.682 54.840 0.056 0.000 1.245 316 L CB -0.628 41.485 42.059 0.091 0.000 1.556 316 L HN -0.004 nan 8.230 nan 0.000 0.423 317 S N 1.385 117.126 115.700 0.070 0.000 2.355 317 S HA -0.269 4.168 4.470 -0.054 0.000 0.318 317 S C 1.085 175.727 174.600 0.069 0.000 1.057 317 S CA 1.892 60.124 58.200 0.053 0.000 1.684 317 S CB -0.203 62.999 63.200 0.004 0.000 1.408 317 S HN 0.664 nan 8.310 nan 0.000 0.465 318 N N 2.280 121.015 118.700 0.059 0.000 3.193 318 N HA 0.267 4.974 4.740 -0.054 0.000 0.312 318 N C 0.956 176.535 175.510 0.114 0.000 1.261 318 N CA 0.701 53.784 53.050 0.056 0.000 1.208 318 N CB -0.744 37.747 38.487 0.006 0.000 1.471 318 N HN 0.543 nan 8.380 nan 0.000 0.548 319 G N 0.878 109.772 108.800 0.157 0.000 2.606 319 G HA2 -0.336 3.592 3.960 -0.054 0.000 0.497 319 G HA3 -0.336 3.592 3.960 -0.054 0.000 0.497 319 G C -0.014 175.095 174.900 0.348 0.000 1.309 319 G CA 0.340 45.587 45.100 0.246 0.000 0.936 319 G HN 0.646 nan 8.290 nan 0.000 0.550 320 H N 0.250 119.418 119.070 0.163 0.000 2.761 320 H HA 0.452 4.976 4.556 -0.054 0.000 0.284 320 H C -0.597 174.665 175.328 -0.109 0.000 1.105 320 H CA -0.375 55.651 56.048 -0.035 0.000 1.352 320 H CB 0.480 29.983 29.762 -0.432 0.000 1.423 320 H HN 0.165 nan 8.280 nan 0.000 0.464 321 V N 9.512 129.155 119.914 -0.451 0.000 2.288 321 V HA 0.157 4.244 4.120 -0.054 0.000 0.266 321 V C -1.961 173.804 176.094 -0.549 0.000 1.048 321 V CA -1.515 60.554 62.300 -0.385 0.000 0.842 321 V CB 0.878 32.519 31.823 -0.304 0.000 1.064 321 V HN 0.740 nan 8.190 nan 0.000 0.472 322 P HA 0.168 nan 4.420 nan 0.000 0.266 322 P C -0.069 177.103 177.300 -0.212 0.000 1.195 322 P CA 0.182 63.124 63.100 -0.263 0.000 0.768 322 P CB 0.855 32.517 31.700 -0.063 0.000 0.838 323 I N 4.156 124.617 120.570 -0.182 0.000 2.797 323 I HA 0.147 4.285 4.170 -0.054 0.000 0.310 323 I C -0.827 175.241 176.117 -0.081 0.000 0.990 323 I CA -2.159 59.061 61.300 -0.133 0.000 1.228 323 I CB 0.798 38.719 38.000 -0.132 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 0.130 177.412 177.300 -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 31.769 31.700 -0.036 0.000 0.738 325 A N -0.731 122.077 122.820 -0.020 0.000 3.282 325 A HA 0.373 4.660 4.320 -0.054 0.000 0.287 325 A C 0.168 177.743 177.584 -0.016 0.000 1.366 325 A CA 0.072 52.102 52.037 -0.011 0.000 1.069 325 A CB -0.964 18.038 19.000 0.004 0.000 1.109 325 A HN 0.214 nan 8.150 nan 0.000 0.638 326 Q N -0.104 119.679 119.800 -0.029 0.000 2.389 326 Q HA 0.452 4.760 4.340 -0.054 0.000 0.277 326 Q C -1.180 174.800 176.000 -0.033 0.000 1.082 326 Q CA -0.259 55.520 55.803 -0.040 0.000 0.810 326 Q CB 1.902 30.604 28.738 -0.059 0.000 1.374 326 Q HN 0.516 nan 8.270 nan 0.000 0.422 327 Q N 2.492 122.267 119.800 -0.042 0.000 2.464 327 Q HA 0.195 4.502 4.340 -0.054 0.000 0.256 327 Q C -0.449 175.523 176.000 -0.047 0.000 1.020 327 Q CA -0.403 55.388 55.803 -0.020 0.000 0.716 327 Q CB 1.400 30.131 28.738 -0.012 0.000 1.230 327 Q HN 0.765 nan 8.270 nan 0.000 0.494 328 D N 2.298 122.706 120.400 0.014 0.000 2.268 328 D HA -0.271 4.336 4.640 -0.054 0.000 0.189 328 D C 1.227 177.519 176.300 -0.013 0.000 1.010 328 D CA 2.211 56.236 54.000 0.042 0.000 0.862 328 D CB 0.191 41.178 40.800 0.313 0.000 0.943 328 D HN 0.663 nan 8.370 nan 0.000 0.451 329 D N 0.849 121.289 120.400 0.066 0.000 2.158 329 D HA -0.197 4.411 4.640 -0.054 0.000 0.197 329 D C 1.733 178.070 176.300 0.063 0.000 0.995 329 D CA 1.040 55.092 54.000 0.087 0.000 0.846 329 D CB -0.608 40.237 40.800 0.075 0.000 0.941 329 D HN 0.426 nan 8.370 nan 0.000 0.456 330 E N -0.062 120.131 120.200 -0.012 0.000 2.028 330 E HA -0.076 4.241 4.350 -0.054 0.000 0.191 330 E C 2.343 178.877 176.600 -0.110 0.000 0.988 330 E CA 0.671 57.046 56.400 -0.041 0.000 0.799 330 E CB -0.064 29.608 29.700 -0.048 0.000 0.755 330 E HN 0.139 nan 8.360 nan 0.000 0.447 331 M N 0.065 119.507 119.600 -0.263 0.000 2.267 331 M HA -0.153 4.294 4.480 -0.054 0.000 0.263 331 M C 2.157 178.218 176.300 -0.398 0.000 1.063 331 M CA 1.154 56.162 55.300 -0.487 0.000 1.090 331 M CB -0.775 31.145 32.600 -1.134 0.000 1.392 331 M HN 0.124 nan 8.290 nan 0.000 0.422 332 F N 1.905 121.624 119.950 -0.386 0.000 2.146 332 F HA -0.197 4.298 4.527 -0.054 0.000 0.298 332 F C 2.376 178.147 175.800 -0.048 0.000 1.096 332 F CA 1.548 59.477 58.000 -0.118 0.000 1.275 332 F CB -0.236 38.757 39.000 -0.012 0.000 1.008 332 F HN 0.177 nan 8.300 nan 0.000 0.480 333 Q N 0.165 119.903 119.800 -0.103 0.000 2.172 333 Q HA -0.164 4.144 4.340 -0.054 0.000 0.200 333 Q C 2.166 178.073 176.000 -0.155 0.000 0.964 333 Q CA 1.301 57.006 55.803 -0.162 0.000 0.855 333 Q CB -0.557 28.156 28.738 -0.042 0.000 0.918 333 Q HN 0.587 nan 8.270 nan 0.000 0.444 334 E N 0.108 120.236 120.200 -0.119 0.000 2.072 334 E HA -0.113 4.205 4.350 -0.054 0.000 0.191 334 E C 1.713 178.263 176.600 -0.083 0.000 0.985 334 E CA 1.363 57.712 56.400 -0.085 0.000 0.801 334 E CB 0.277 29.934 29.700 -0.072 0.000 0.750 334 E HN 0.296 nan 8.360 nan 0.000 0.452 335 T N 1.265 115.763 114.554 -0.095 0.000 2.737 335 T HA -0.091 4.226 4.350 -0.054 0.000 0.265 335 T C 1.944 176.557 174.700 -0.144 0.000 1.038 335 T CA 0.753 62.821 62.100 -0.054 0.000 1.144 335 T CB -0.176 68.718 68.868 0.043 0.000 0.866 335 T HN 0.097 nan 8.240 nan 0.000 0.434 336 L N 0.716 121.772 121.223 -0.279 0.000 2.127 336 L HA -0.105 4.202 4.340 -0.054 0.000 0.211 336 L C 2.720 179.490 176.870 -0.166 0.000 1.089 336 L CA 1.348 56.026 54.840 -0.270 0.000 0.757 336 L CB -0.501 41.313 42.059 -0.408 0.000 0.899 336 L HN 0.324 nan 8.230 nan 0.000 0.434 337 E N 0.151 120.267 120.200 -0.140 0.000 2.051 337 E HA -0.228 4.089 4.350 -0.054 0.000 0.192 337 E C 2.273 178.823 176.600 -0.083 0.000 0.991 337 E CA 1.199 57.545 56.400 -0.091 0.000 0.799 337 E CB -0.019 29.638 29.700 -0.071 0.000 0.748 337 E HN 0.479 nan 8.360 nan 0.000 0.449 338 A N 0.335 123.099 122.820 -0.093 0.000 1.929 338 A HA -0.141 4.146 4.320 -0.054 0.000 0.216 338 A C 2.108 179.590 177.584 -0.169 0.000 1.176 338 A CA 1.146 53.126 52.037 -0.096 0.000 0.628 338 A CB -0.376 18.582 19.000 -0.070 0.000 0.816 338 A HN 0.238 nan 8.150 nan 0.000 0.444 339 M N -1.044 118.408 119.600 -0.246 0.000 2.117 339 M HA -0.135 4.313 4.480 -0.054 0.000 0.262 339 M C 2.329 178.502 176.300 -0.212 0.000 1.065 339 M CA 1.915 56.921 55.300 -0.490 0.000 1.114 339 M CB -0.441 31.893 32.600 -0.444 0.000 1.361 339 M HN 0.450 nan 8.290 nan 0.000 0.408 340 T N 0.986 115.485 114.554 -0.091 0.000 2.607 340 T HA -0.166 4.152 4.350 -0.054 0.000 0.267 340 T C 1.649 176.355 174.700 0.010 0.000 1.049 340 T CA 1.617 63.713 62.100 -0.006 0.000 1.162 340 T CB -0.350 68.503 68.868 -0.025 0.000 0.863 340 T HN 0.316 nan 8.240 nan 0.000 0.424 341 I N 0.545 121.101 120.570 -0.023 0.000 2.264 341 I HA -0.197 3.941 4.170 -0.054 0.000 0.248 341 I C 2.455 178.577 176.117 0.007 0.000 1.111 341 I CA 1.174 62.466 61.300 -0.012 0.000 1.382 341 I CB -0.386 37.598 38.000 -0.027 0.000 1.060 341 I HN 0.271 nan 8.210 nan 0.000 0.418 342 M N 0.748 120.344 119.600 -0.006 0.000 2.446 342 M HA -0.049 4.399 4.480 -0.054 0.000 0.263 342 M C 1.376 177.789 176.300 0.188 0.000 1.066 342 M CA 1.409 56.742 55.300 0.056 0.000 1.087 342 M CB -0.669 31.907 32.600 -0.039 0.000 1.406 342 M HN 0.369 nan 8.290 nan 0.000 0.459 343 G N -1.614 107.306 108.800 0.200 0.000 2.148 343 G HA2 -0.198 3.729 3.960 -0.054 0.000 0.203 343 G HA3 -0.198 3.729 3.960 -0.054 0.000 0.203 343 G C -0.210 174.855 174.900 0.274 0.000 0.993 343 G CA -0.345 44.866 45.100 0.184 0.000 0.661 343 G HN 0.306 nan 8.290 nan 0.000 0.518 344 F N 2.675 122.629 119.950 0.007 0.000 2.495 344 F HA 0.501 5.008 4.527 -0.033 0.000 0.365 344 F C 1.614 177.430 175.800 0.026 0.000 1.090 344 F CA -0.133 57.889 58.000 0.037 0.000 1.235 344 F CB 0.792 39.825 39.000 0.053 0.000 1.119 344 F HN 0.211 nan 8.300 nan 0.000 0.562 345 T N -0.052 114.594 114.554 0.153 0.000 2.868 345 T HA 0.121 4.439 4.350 -0.054 0.000 0.292 345 T C 1.159 175.912 174.700 0.088 0.000 1.028 345 T CA -0.768 61.386 62.100 0.090 0.000 1.059 345 T CB 0.990 69.887 68.868 0.048 0.000 0.991 345 T HN 0.540 nan 8.240 nan 0.000 0.531 346 E N 1.058 121.290 120.200 0.053 0.000 2.130 346 E HA -0.193 4.124 4.350 -0.054 0.000 0.196 346 E C 2.184 178.794 176.600 0.018 0.000 0.998 346 E CA 1.779 58.201 56.400 0.036 0.000 0.806 346 E CB -0.114 29.599 29.700 0.022 0.000 0.738 346 E HN 0.958 nan 8.360 nan 0.000 0.459 347 E N 0.635 120.839 120.200 0.007 0.000 2.216 347 E HA -0.144 4.173 4.350 -0.054 0.000 0.192 347 E C 1.631 178.185 176.600 -0.077 0.000 0.988 347 E CA 0.709 57.092 56.400 -0.029 0.000 0.834 347 E CB -0.229 29.460 29.700 -0.017 0.000 0.772 347 E HN 0.321 nan 8.360 nan 0.000 0.479 348 E N 0.936 121.123 120.200 -0.021 0.000 2.072 348 E HA -0.152 4.166 4.350 -0.054 0.000 0.191 348 E C 2.303 178.853 176.600 -0.083 0.000 0.985 348 E CA 1.197 57.572 56.400 -0.041 0.000 0.801 348 E CB 0.034 29.791 29.700 0.094 0.000 0.750 348 E HN 0.399 nan 8.360 nan 0.000 0.452 349 Q N -0.218 119.615 119.800 0.056 0.000 2.079 349 Q HA -0.128 4.180 4.340 -0.054 0.000 0.200 349 Q C 2.425 178.408 176.000 -0.029 0.000 0.974 349 Q CA 1.859 57.703 55.803 0.068 0.000 0.840 349 Q CB -0.238 28.549 28.738 0.082 0.000 0.898 349 Q HN 0.353 nan 8.270 nan 0.000 0.430 350 T N -2.112 112.406 114.554 -0.059 0.000 2.951 350 T HA 0.005 4.322 4.350 -0.054 0.000 0.268 350 T C 2.040 176.633 174.700 -0.178 0.000 1.073 350 T CA 1.193 63.255 62.100 -0.063 0.000 1.134 350 T CB -0.061 68.786 68.868 -0.036 0.000 0.884 350 T HN 0.007 nan 8.240 nan 0.000 0.479 351 S N 1.172 116.659 115.700 -0.356 0.000 2.387 351 S HA 0.169 4.607 4.470 -0.054 0.000 0.226 351 S C 1.880 175.975 174.600 -0.841 0.000 1.026 351 S CA 0.825 58.633 58.200 -0.653 0.000 0.972 351 S CB -0.392 62.210 63.200 -0.997 0.000 0.814 351 S HN 0.482 nan 8.310 nan 0.000 0.477 352 I N 1.558 121.682 120.570 -0.744 0.000 2.163 352 I HA -0.157 3.980 4.170 -0.054 0.000 0.240 352 I C 1.962 178.007 176.117 -0.121 0.000 1.081 352 I CA 1.085 62.114 61.300 -0.452 0.000 1.353 352 I CB -0.335 37.553 38.000 -0.186 0.000 1.054 352 I HN 0.222 nan 8.210 nan 0.000 0.407 353 L N 0.202 121.411 121.223 -0.024 0.000 2.131 353 L HA -0.209 4.098 4.340 -0.054 0.000 0.210 353 L C 2.693 179.573 176.870 0.016 0.000 1.092 353 L CA 1.214 56.097 54.840 0.071 0.000 0.759 353 L CB -0.670 41.473 42.059 0.139 0.000 0.903 353 L HN 0.272 nan 8.230 nan 0.000 0.435 354 R N 0.197 120.666 120.500 -0.051 0.000 2.092 354 R HA -0.111 4.196 4.340 -0.054 0.000 0.231 354 R C 2.162 178.467 176.300 0.008 0.000 1.119 354 R CA 1.151 57.234 56.100 -0.029 0.000 0.970 354 R CB -0.187 30.071 30.300 -0.070 0.000 0.864 354 R HN 0.088 nan 8.270 nan 0.000 0.440 355 V N 0.125 120.033 119.914 -0.011 0.000 2.427 355 V HA -0.184 3.903 4.120 -0.054 0.000 0.248 355 V C 2.238 178.420 176.094 0.147 0.000 1.051 355 V CA 1.439 63.788 62.300 0.082 0.000 1.048 355 V CB -0.002 31.878 31.823 0.096 0.000 0.666 355 V HN 0.213 nan 8.190 nan 0.000 0.456 356 V N -0.485 119.500 119.914 0.118 0.000 2.343 356 V HA -0.255 3.833 4.120 -0.054 0.000 0.247 356 V C 2.660 178.873 176.094 0.199 0.000 1.051 356 V CA 2.382 64.765 62.300 0.138 0.000 1.036 356 V CB -0.573 31.229 31.823 -0.036 0.000 0.654 356 V HN 0.629 nan 8.190 nan 0.000 0.451 357 S N 0.421 116.180 115.700 0.098 0.000 2.368 357 S HA -0.207 4.231 4.470 -0.054 0.000 0.225 357 S C 2.344 176.994 174.600 0.085 0.000 1.030 357 S CA 2.126 60.362 58.200 0.060 0.000 0.999 357 S CB -0.406 62.818 63.200 0.041 0.000 0.844 357 S HN 0.824 nan 8.310 nan 0.000 0.459 358 S N 0.744 116.508 115.700 0.107 0.000 2.382 358 S HA -0.061 4.377 4.470 -0.054 0.000 0.228 358 S C 1.825 176.509 174.600 0.141 0.000 1.027 358 S CA 1.371 59.631 58.200 0.099 0.000 0.991 358 S CB -0.931 62.325 63.200 0.095 0.000 0.823 358 S HN 0.360 nan 8.310 nan 0.000 0.469 359 V N 1.804 121.862 119.914 0.241 0.000 2.490 359 V HA -0.081 4.006 4.120 -0.054 0.000 0.250 359 V C 2.495 178.739 176.094 0.250 0.000 1.061 359 V CA 1.668 64.166 62.300 0.331 0.000 1.064 359 V CB -0.801 31.335 31.823 0.522 0.000 0.670 359 V HN 0.465 nan 8.190 nan 0.000 0.461 360 L N -0.934 120.361 121.223 0.120 0.000 2.095 360 L HA -0.126 4.182 4.340 -0.054 0.000 0.204 360 L C 2.564 179.379 176.870 -0.092 0.000 1.080 360 L CA 1.106 55.869 54.840 -0.127 0.000 0.759 360 L CB -0.420 41.289 42.059 -0.583 0.000 0.914 360 L HN 0.273 nan 8.230 nan 0.000 0.439 361 Q N 0.214 120.025 119.800 0.019 0.000 2.167 361 Q HA -0.141 4.166 4.340 -0.054 0.000 0.202 361 Q C 2.169 178.114 176.000 -0.092 0.000 0.970 361 Q CA 1.367 57.192 55.803 0.035 0.000 0.855 361 Q CB -0.189 28.579 28.738 0.049 0.000 0.911 361 Q HN 0.424 nan 8.270 nan 0.000 0.438 362 L N -1.075 120.093 121.223 -0.092 0.000 2.042 362 L HA -0.169 4.138 4.340 -0.054 0.000 0.210 362 L C 2.154 178.810 176.870 -0.357 0.000 1.076 362 L CA 1.301 56.090 54.840 -0.086 0.000 0.749 362 L CB -0.889 41.226 42.059 0.093 0.000 0.893 362 L HN 0.429 nan 8.230 nan 0.000 0.432 363 G N -0.438 107.793 108.800 -0.949 0.000 2.450 363 G HA2 -0.270 3.657 3.960 -0.054 0.000 0.220 363 G HA3 -0.270 3.657 3.960 -0.054 0.000 0.220 363 G C 1.288 175.804 174.900 -0.640 0.000 1.130 363 G CA 0.711 44.818 45.100 -1.655 0.000 0.760 363 G HN 0.348 nan 8.290 nan 0.000 0.557 364 N N 0.199 118.678 118.700 -0.368 0.000 2.457 364 N HA 0.071 4.778 4.740 -0.054 0.000 0.180 364 N C 0.931 176.314 175.510 -0.211 0.000 1.050 364 N CA -0.078 52.840 53.050 -0.221 0.000 0.906 364 N CB 0.021 38.418 38.487 -0.150 0.000 0.968 364 N HN 0.318 nan 8.380 nan 0.000 0.445 365 I N 1.061 121.494 120.570 -0.228 0.000 2.775 365 I HA -0.085 4.053 4.170 -0.054 0.000 0.290 365 I C -0.126 175.739 176.117 -0.421 0.000 1.203 365 I CA 0.256 61.381 61.300 -0.291 0.000 1.433 365 I CB 0.464 38.306 38.000 -0.263 0.000 1.354 365 I HN -0.270 nan 8.210 nan 0.000 0.579 366 V N 6.969 126.585 119.914 -0.496 0.000 2.638 366 V HA 0.435 4.522 4.120 -0.054 0.000 0.306 366 V C -0.576 175.221 176.094 -0.495 0.000 1.052 366 V CA -0.658 61.392 62.300 -0.415 0.000 0.885 366 V CB 1.646 33.357 31.823 -0.186 0.000 0.999 366 V HN 0.335 nan 8.190 nan 0.000 0.424 367 F N 2.158 122.116 119.950 0.014 0.000 2.492 367 F HA 0.860 5.354 4.527 -0.055 0.000 0.327 367 F C 0.458 176.265 175.800 0.011 0.000 1.079 367 F CA -0.646 57.361 58.000 0.011 0.000 0.967 367 F CB 1.707 40.716 39.000 0.014 0.000 1.169 367 F HN 0.540 nan 8.300 nan 0.000 0.472 368 K N 0.601 121.127 120.400 0.209 0.000 2.340 368 K HA 0.907 5.194 4.320 -0.054 0.000 0.244 368 K C -0.235 176.420 176.600 0.092 0.000 0.973 368 K CA -0.482 55.873 56.287 0.113 0.000 0.828 368 K CB 0.824 33.366 32.500 0.070 0.000 1.226 368 K HN 0.871 nan 8.250 nan 0.000 0.437 369 K N -0.187 120.250 120.400 0.062 0.000 2.627 369 K HA 0.906 5.194 4.320 -0.054 0.000 0.269 369 K C 0.714 177.331 176.600 0.029 0.000 1.029 369 K CA 0.928 57.240 56.287 0.041 0.000 1.026 369 K CB -0.213 32.308 32.500 0.034 0.000 1.350 369 K HN 2.081 nan 8.250 nan 0.000 0.506 376 A N 0.305 123.105 122.820 -0.034 0.000 2.401 376 A HA 0.932 5.220 4.320 -0.054 0.000 0.310 376 A C -0.509 177.095 177.584 0.034 0.000 1.075 376 A CA 0.016 52.052 52.037 -0.001 0.000 0.746 376 A CB 1.649 20.615 19.000 -0.057 0.000 1.277 376 A HN 1.916 nan 8.150 nan 0.000 0.425 377 S N 1.291 117.056 115.700 0.109 0.000 2.575 377 S HA 0.566 5.004 4.470 -0.054 0.000 0.278 377 S C -0.434 174.276 174.600 0.183 0.000 1.139 377 S CA -0.664 57.614 58.200 0.129 0.000 0.954 377 S CB 1.224 64.464 63.200 0.068 0.000 1.054 377 S HN 0.970 nan 8.310 nan 0.000 0.483 378 M N 0.802 120.529 119.600 0.212 0.000 2.151 378 M HA 0.429 4.877 4.480 -0.054 0.000 0.349 378 M C -2.345 173.980 176.300 0.042 0.000 1.284 378 M CA -1.671 53.688 55.300 0.098 0.000 1.173 378 M CB 0.170 32.780 32.600 0.017 0.000 1.469 378 M HN 0.216 nan 8.290 nan 0.000 0.439 379 P HA -0.091 nan 4.420 nan 0.000 0.216 379 P C -0.147 177.151 177.300 -0.004 0.000 1.153 379 P CA 1.229 64.336 63.100 0.011 0.000 0.848 379 P CB 0.106 31.810 31.700 0.007 0.000 0.787 380 D N -0.011 120.374 120.400 -0.025 0.000 2.373 380 D HA 0.027 4.634 4.640 -0.054 0.000 0.227 380 D C 0.367 176.642 176.300 -0.042 0.000 1.091 380 D CA -0.252 53.726 54.000 -0.035 0.000 0.840 380 D CB 0.391 41.160 40.800 -0.051 0.000 1.060 380 D HN 0.010 nan 8.370 nan 0.000 0.502 381 N N 2.280 120.970 118.700 -0.017 0.000 2.280 381 N HA -0.087 4.621 4.740 -0.054 0.000 0.192 381 N C 1.126 176.633 175.510 -0.005 0.000 1.109 381 N CA -0.080 52.972 53.050 0.004 0.000 0.855 381 N CB -0.102 38.406 38.487 0.036 0.000 0.974 381 N HN 0.179 nan 8.380 nan 0.000 0.482 382 T N 1.623 116.161 114.554 -0.027 0.000 2.564 382 T HA -0.276 4.042 4.350 -0.054 0.000 0.264 382 T C 1.955 176.630 174.700 -0.041 0.000 1.100 382 T CA 2.926 65.004 62.100 -0.038 0.000 1.171 382 T CB -0.773 68.062 68.868 -0.055 0.000 0.863 382 T HN 0.538 nan 8.240 nan 0.000 0.430 383 A N 1.515 124.300 122.820 -0.057 0.000 1.873 383 A HA -0.007 4.281 4.320 -0.054 0.000 0.218 383 A C 2.694 180.258 177.584 -0.034 0.000 1.193 383 A CA 2.515 54.516 52.037 -0.060 0.000 0.629 383 A CB -1.351 17.594 19.000 -0.091 0.000 0.826 383 A HN 0.621 nan 8.150 nan 0.000 0.447 384 A N -1.040 121.786 122.820 0.011 0.000 1.986 384 A HA -0.249 4.039 4.320 -0.054 0.000 0.220 384 A C 2.132 179.724 177.584 0.013 0.000 1.171 384 A CA 1.799 53.897 52.037 0.102 0.000 0.640 384 A CB -0.541 18.599 19.000 0.233 0.000 0.811 384 A HN 0.715 nan 8.150 nan 0.000 0.451 385 Q N -0.342 119.464 119.800 0.010 0.000 2.016 385 Q HA -0.149 4.159 4.340 -0.054 0.000 0.200 385 Q C 2.068 178.064 176.000 -0.005 0.000 0.978 385 Q CA 1.450 57.257 55.803 0.006 0.000 0.833 385 Q CB -0.245 28.496 28.738 0.004 0.000 0.895 385 Q HN 0.644 nan 8.270 nan 0.000 0.427 386 K N 0.423 120.808 120.400 -0.025 0.000 2.032 386 K HA -0.134 4.153 4.320 -0.054 0.000 0.209 386 K C 2.212 178.810 176.600 -0.004 0.000 1.048 386 K CA 1.309 57.584 56.287 -0.020 0.000 0.927 386 K CB -0.567 31.908 32.500 -0.042 0.000 0.712 386 K HN 0.046 nan 8.250 nan 0.000 0.441 387 V N 1.836 121.707 119.914 -0.070 0.000 2.252 387 V HA -0.340 3.748 4.120 -0.054 0.000 0.249 387 V C 2.663 178.646 176.094 -0.186 0.000 1.056 387 V CA 1.901 64.119 62.300 -0.137 0.000 1.022 387 V CB -0.551 31.122 31.823 -0.250 0.000 0.641 387 V HN 0.414 nan 8.190 nan 0.000 0.445 388 C N -0.900 118.253 119.300 -0.246 0.000 2.425 388 C HA -0.164 4.264 4.460 -0.054 0.000 0.277 388 C C 2.659 177.602 174.990 -0.078 0.000 1.280 388 C CA 1.042 59.931 59.018 -0.214 0.000 1.744 388 C CB -1.487 26.149 27.740 -0.173 0.000 1.989 388 C HN 0.709 nan 8.230 nan 0.000 0.491 389 H N 0.747 119.761 119.070 -0.094 0.000 2.353 389 H HA -0.059 4.465 4.556 -0.053 0.000 0.300 389 H C 1.880 177.179 175.328 -0.049 0.000 1.090 389 H CA 1.475 57.489 56.048 -0.056 0.000 1.327 389 H CB -0.217 29.519 29.762 -0.043 0.000 1.383 389 H HN 0.429 nan 8.280 nan 0.000 0.508 390 L N -0.136 121.143 121.223 0.094 0.000 2.492 390 L HA -0.007 4.301 4.340 -0.054 0.000 0.223 390 L C 2.270 179.133 176.870 -0.013 0.000 1.132 390 L CA 0.337 55.211 54.840 0.056 0.000 0.850 390 L CB 0.005 42.110 42.059 0.077 0.000 0.966 390 L HN 0.222 nan 8.230 nan 0.000 0.454 391 M N -1.167 118.401 119.600 -0.053 0.000 2.337 391 M HA 0.261 4.708 4.480 -0.054 0.000 0.256 391 M C 1.035 177.299 176.300 -0.061 0.000 1.075 391 M CA 0.315 55.587 55.300 -0.047 0.000 1.024 391 M CB 0.811 33.356 32.600 -0.092 0.000 1.429 391 M HN 0.243 nan 8.290 nan 0.000 0.497 392 G N 2.430 111.173 108.800 -0.094 0.000 2.272 392 G HA2 -0.227 3.701 3.960 -0.054 0.000 0.280 392 G HA3 -0.227 3.701 3.960 -0.054 0.000 0.280 392 G C -0.498 174.360 174.900 -0.071 0.000 1.067 392 G CA -0.075 44.973 45.100 -0.087 0.000 0.902 392 G HN 0.339 nan 8.290 nan 0.000 0.500 393 I N -0.684 119.836 120.570 -0.083 0.000 2.957 393 I HA 0.535 4.673 4.170 -0.054 0.000 0.310 393 I C 0.089 176.186 176.117 -0.033 0.000 1.063 393 I CA -2.144 59.119 61.300 -0.062 0.000 1.033 393 I CB 1.970 39.908 38.000 -0.103 0.000 1.230 393 I HN 0.102 nan 8.210 nan 0.000 0.447 394 N N 1.307 120.015 118.700 0.013 0.000 2.414 394 N HA 0.291 4.999 4.740 -0.054 0.000 0.256 394 N C 0.944 176.509 175.510 0.093 0.000 1.029 394 N CA -0.141 52.932 53.050 0.038 0.000 0.948 394 N CB 1.251 39.761 38.487 0.038 0.000 1.102 394 N HN 0.386 nan 8.380 nan 0.000 0.496 395 V N 1.923 121.885 119.914 0.081 0.000 2.313 395 V HA -0.349 3.738 4.120 -0.054 0.000 0.253 395 V C 2.104 178.301 176.094 0.173 0.000 1.070 395 V CA 2.559 64.942 62.300 0.138 0.000 1.057 395 V CB -1.016 30.862 31.823 0.092 0.000 0.653 395 V HN 0.876 nan 8.190 nan 0.000 0.450 396 T N -2.745 111.873 114.554 0.107 0.000 2.942 396 T HA -0.110 4.207 4.350 -0.054 0.000 0.265 396 T C 1.478 176.224 174.700 0.077 0.000 1.062 396 T CA 1.183 63.331 62.100 0.082 0.000 1.139 396 T CB -0.336 68.562 68.868 0.051 0.000 0.883 396 T HN 0.412 nan 8.240 nan 0.000 0.468 397 D N 0.572 121.024 120.400 0.087 0.000 2.149 397 D HA 0.080 4.688 4.640 -0.054 0.000 0.201 397 D C 1.478 177.837 176.300 0.098 0.000 0.972 397 D CA 0.411 54.453 54.000 0.070 0.000 0.835 397 D CB -0.430 40.406 40.800 0.061 0.000 0.966 397 D HN 0.384 nan 8.370 nan 0.000 0.476 398 F N 1.764 121.715 119.950 0.001 0.000 2.060 398 F HA -0.179 4.316 4.527 -0.054 0.000 0.295 398 F C 2.238 178.058 175.800 0.033 0.000 1.120 398 F CA 1.519 59.523 58.000 0.006 0.000 1.205 398 F CB -0.817 38.188 39.000 0.009 0.000 0.986 398 F HN -0.152 nan 8.300 nan 0.000 0.470 399 T N 1.078 115.630 114.554 -0.003 0.000 2.721 399 T HA -0.261 4.057 4.350 -0.054 0.000 0.268 399 T C 2.155 176.786 174.700 -0.115 0.000 1.038 399 T CA 1.879 63.928 62.100 -0.085 0.000 1.145 399 T CB -0.399 68.510 68.868 0.067 0.000 0.858 399 T HN 0.267 nan 8.240 nan 0.000 0.459 400 R N 0.604 121.065 120.500 -0.065 0.000 2.066 400 R HA -0.015 4.293 4.340 -0.054 0.000 0.232 400 R C 2.940 179.182 176.300 -0.097 0.000 1.131 400 R CA 1.483 57.547 56.100 -0.060 0.000 0.955 400 R CB -0.330 29.956 30.300 -0.025 0.000 0.851 400 R HN 0.304 nan 8.270 nan 0.000 0.432 401 S N 0.723 116.355 115.700 -0.113 0.000 2.419 401 S HA -0.091 4.346 4.470 -0.054 0.000 0.233 401 S C 1.808 176.302 174.600 -0.177 0.000 1.016 401 S CA 0.746 58.875 58.200 -0.118 0.000 0.974 401 S CB -0.055 63.092 63.200 -0.087 0.000 0.786 401 S HN 0.199 nan 8.310 nan 0.000 0.492 402 I N 1.139 121.532 120.570 -0.294 0.000 2.296 402 I HA 0.076 4.213 4.170 -0.054 0.000 0.242 402 I C 1.943 177.900 176.117 -0.267 0.000 1.087 402 I CA 1.144 62.255 61.300 -0.315 0.000 1.393 402 I CB -0.833 36.881 38.000 -0.476 0.000 1.093 402 I HN 0.276 nan 8.210 nan 0.000 0.421 403 L N 0.082 121.173 121.223 -0.220 0.000 2.313 403 L HA -0.049 4.258 4.340 -0.054 0.000 0.214 403 L C 0.009 176.795 176.870 -0.140 0.000 1.119 403 L CA 0.835 55.558 54.840 -0.194 0.000 0.809 403 L CB -0.291 41.709 42.059 -0.099 0.000 0.933 403 L HN 0.341 nan 8.230 nan 0.000 0.449 404 T N -2.908 111.577 114.554 -0.114 0.000 3.706 404 T HA 0.297 4.614 4.350 -0.054 0.000 0.292 404 T C -2.770 171.890 174.700 -0.067 0.000 0.693 404 T CA -1.187 60.865 62.100 -0.081 0.000 1.126 404 T CB 1.143 69.976 68.868 -0.059 0.000 1.043 404 T HN -0.234 nan 8.240 nan 0.000 0.501 417 A N 2.554 125.345 122.820 -0.047 0.000 2.388 417 A HA 0.690 4.978 4.320 -0.054 0.000 0.257 417 A C -0.095 177.446 177.584 -0.072 0.000 1.095 417 A CA -0.235 51.768 52.037 -0.056 0.000 0.791 417 A CB 0.400 19.373 19.000 -0.045 0.000 1.029 417 A HN 0.641 nan 8.150 nan 0.000 0.489 418 Q N 0.916 120.658 119.800 -0.097 0.000 2.337 418 Q HA 0.491 4.798 4.340 -0.054 0.000 0.266 418 Q C 0.142 176.064 176.000 -0.130 0.000 1.023 418 Q CA -0.387 55.340 55.803 -0.127 0.000 0.829 418 Q CB 1.790 30.418 28.738 -0.184 0.000 1.306 418 Q HN 0.899 nan 8.270 nan 0.000 0.449 419 T N -2.122 112.366 114.554 -0.110 0.000 2.912 419 T HA 0.304 4.621 4.350 -0.054 0.000 0.280 419 T C 1.162 175.803 174.700 -0.099 0.000 0.989 419 T CA -0.622 61.430 62.100 -0.080 0.000 0.995 419 T CB 1.510 70.350 68.868 -0.046 0.000 1.077 419 T HN 0.519 nan 8.240 nan 0.000 0.531 420 K N 0.641 121.018 120.400 -0.038 0.000 2.000 420 K HA -0.243 4.045 4.320 -0.054 0.000 0.218 420 K C 2.623 179.238 176.600 0.026 0.000 1.053 420 K CA 2.608 58.908 56.287 0.021 0.000 0.946 420 K CB -1.140 31.414 32.500 0.089 0.000 0.723 420 K HN 0.896 nan 8.250 nan 0.000 0.446 421 E N 1.369 121.590 120.200 0.036 0.000 2.108 421 E HA -0.297 4.020 4.350 -0.054 0.000 0.203 421 E C 1.776 178.410 176.600 0.057 0.000 1.022 421 E CA 2.417 58.850 56.400 0.055 0.000 0.823 421 E CB -0.990 28.728 29.700 0.029 0.000 0.744 421 E HN 0.813 nan 8.360 nan 0.000 0.456 422 Q N -0.994 118.799 119.800 -0.012 0.000 2.398 422 Q HA 0.458 4.765 4.340 -0.054 0.000 0.204 422 Q C 2.490 178.479 176.000 -0.018 0.000 0.932 422 Q CA 0.678 56.471 55.803 -0.016 0.000 0.916 422 Q CB 0.224 28.911 28.738 -0.084 0.000 1.024 422 Q HN 0.511 nan 8.270 nan 0.000 0.504 423 A N 2.010 124.719 122.820 -0.184 0.000 1.898 423 A HA -0.165 4.122 4.320 -0.054 0.000 0.214 423 A C 1.644 179.144 177.584 -0.140 0.000 1.183 423 A CA 1.393 53.122 52.037 -0.514 0.000 0.622 423 A CB -0.256 17.925 19.000 -1.366 0.000 0.824 423 A HN 0.174 nan 8.150 nan 0.000 0.444 424 D N -0.717 119.760 120.400 0.129 0.000 2.104 424 D HA -0.165 4.442 4.640 -0.054 0.000 0.194 424 D C 1.644 178.114 176.300 0.283 0.000 0.994 424 D CA 1.445 55.651 54.000 0.342 0.000 0.830 424 D CB -0.521 40.451 40.800 0.285 0.000 0.959 424 D HN 0.437 nan 8.370 nan 0.000 0.452 425 F N 1.905 121.914 119.950 0.097 0.000 2.025 425 F HA -0.293 4.202 4.527 -0.054 0.000 0.297 425 F C 2.304 178.165 175.800 0.102 0.000 1.132 425 F CA 2.259 60.311 58.000 0.087 0.000 1.191 425 F CB -0.509 38.518 39.000 0.044 0.000 0.963 425 F HN -0.036 nan 8.300 nan 0.000 0.481 426 A N 0.954 123.963 122.820 0.314 0.000 1.903 426 A HA -0.249 4.038 4.320 -0.054 0.000 0.219 426 A C 2.233 179.879 177.584 0.103 0.000 1.191 426 A CA 2.183 54.328 52.037 0.181 0.000 0.638 426 A CB -1.228 17.856 19.000 0.139 0.000 0.823 426 A HN 0.494 nan 8.150 nan 0.000 0.451 427 I N -0.264 120.418 120.570 0.186 0.000 2.163 427 I HA -0.224 3.914 4.170 -0.054 0.000 0.243 427 I C 2.400 178.654 176.117 0.229 0.000 1.085 427 I CA 1.851 63.308 61.300 0.260 0.000 1.347 427 I CB -1.545 36.674 38.000 0.365 0.000 1.044 427 I HN 0.477 nan 8.210 nan 0.000 0.408 428 E N 0.602 120.903 120.200 0.168 0.000 2.038 428 E HA -0.217 4.101 4.350 -0.054 0.000 0.195 428 E C 2.320 178.903 176.600 -0.028 0.000 1.000 428 E CA 1.662 58.127 56.400 0.108 0.000 0.803 428 E CB -0.215 29.471 29.700 -0.024 0.000 0.750 428 E HN 0.483 nan 8.360 nan 0.000 0.448 429 A N 0.759 123.446 122.820 -0.223 0.000 1.927 429 A HA -0.248 4.040 4.320 -0.054 0.000 0.220 429 A C 2.170 179.778 177.584 0.041 0.000 1.185 429 A CA 1.562 53.473 52.037 -0.209 0.000 0.639 429 A CB -0.718 18.074 19.000 -0.347 0.000 0.820 429 A HN 0.269 nan 8.150 nan 0.000 0.451 430 L N -0.777 120.521 121.223 0.125 0.000 2.027 430 L HA -0.018 4.290 4.340 -0.054 0.000 0.206 430 L C 2.835 179.888 176.870 0.304 0.000 1.074 430 L CA 1.895 56.885 54.840 0.251 0.000 0.745 430 L CB -0.664 41.537 42.059 0.237 0.000 0.898 430 L HN 0.388 nan 8.230 nan 0.000 0.433 431 A N -0.131 122.854 122.820 0.276 0.000 1.849 431 A HA -0.312 3.976 4.320 -0.054 0.000 0.217 431 A C 2.278 180.012 177.584 0.250 0.000 1.202 431 A CA 2.473 54.699 52.037 0.315 0.000 0.629 431 A CB -0.704 18.536 19.000 0.400 0.000 0.834 431 A HN 0.486 nan 8.150 nan 0.000 0.447 432 K N -0.439 120.041 120.400 0.132 0.000 2.044 432 K HA -0.146 4.141 4.320 -0.054 0.000 0.210 432 K C 2.319 179.020 176.600 0.169 0.000 1.049 432 K CA 1.334 57.691 56.287 0.117 0.000 0.927 432 K CB -0.442 32.073 32.500 0.025 0.000 0.713 432 K HN 0.473 nan 8.250 nan 0.000 0.443 433 A N 1.954 124.877 122.820 0.173 0.000 1.902 433 A HA -0.183 4.105 4.320 -0.054 0.000 0.217 433 A C 2.071 179.692 177.584 0.062 0.000 1.181 433 A CA 1.391 53.514 52.037 0.143 0.000 0.623 433 A CB -0.285 18.889 19.000 0.289 0.000 0.818 433 A HN 0.127 nan 8.150 nan 0.000 0.443 434 K N -1.680 118.878 120.400 0.263 0.000 2.097 434 K HA -0.111 4.176 4.320 -0.054 0.000 0.206 434 K C 1.764 178.443 176.600 0.132 0.000 1.049 434 K CA 1.371 57.806 56.287 0.247 0.000 0.933 434 K CB -0.330 32.438 32.500 0.448 0.000 0.717 434 K HN 0.522 nan 8.250 nan 0.000 0.442 435 F N 2.142 122.135 119.950 0.072 0.000 2.128 435 F HA -0.133 4.365 4.527 -0.049 0.000 0.295 435 F C 2.463 178.240 175.800 -0.039 0.000 1.100 435 F CA 1.505 59.529 58.000 0.040 0.000 1.260 435 F CB -0.222 38.818 39.000 0.065 0.000 1.009 435 F HN 0.102 nan 8.300 nan 0.000 0.476 436 E N 0.223 120.446 120.200 0.038 0.000 2.130 436 E HA -0.277 4.041 4.350 -0.054 0.000 0.196 436 E C 2.263 178.781 176.600 -0.137 0.000 0.998 436 E CA 1.586 57.950 56.400 -0.060 0.000 0.806 436 E CB -0.089 29.604 29.700 -0.012 0.000 0.738 436 E HN 0.453 nan 8.360 nan 0.000 0.459 437 R N -0.125 120.244 120.500 -0.218 0.000 2.093 437 R HA -0.074 4.233 4.340 -0.054 0.000 0.224 437 R C 2.605 178.764 176.300 -0.235 0.000 1.101 437 R CA 0.852 56.781 56.100 -0.286 0.000 0.979 437 R CB -0.405 29.574 30.300 -0.534 0.000 0.877 437 R HN 0.205 nan 8.270 nan 0.000 0.441 438 L N 0.551 121.617 121.223 -0.262 0.000 2.131 438 L HA -0.122 4.185 4.340 -0.054 0.000 0.210 438 L C 1.963 178.673 176.870 -0.267 0.000 1.092 438 L CA 1.530 56.225 54.840 -0.240 0.000 0.759 438 L CB -0.447 41.459 42.059 -0.255 0.000 0.903 438 L HN -0.002 nan 8.230 nan 0.000 0.435 439 F N 0.346 119.973 119.950 -0.537 0.000 2.060 439 F HA -0.138 4.360 4.527 -0.049 0.000 0.295 439 F C 2.800 178.409 175.800 -0.318 0.000 1.120 439 F CA 1.886 59.578 58.000 -0.514 0.000 1.205 439 F CB -0.464 38.185 39.000 -0.585 0.000 0.986 439 F HN 0.022 nan 8.300 nan 0.000 0.470 440 R N -0.759 119.657 120.500 -0.140 0.000 2.133 440 R HA -0.283 4.024 4.340 -0.054 0.000 0.247 440 R C 2.248 178.407 176.300 -0.236 0.000 1.151 440 R CA 2.215 58.202 56.100 -0.187 0.000 0.971 440 R CB -1.008 29.220 30.300 -0.120 0.000 0.866 440 R HN 0.582 nan 8.270 nan 0.000 0.447 441 W N 0.842 121.924 121.300 -0.362 0.000 2.380 441 W HA -0.097 4.529 4.660 -0.057 0.000 0.317 441 W C 1.899 178.215 176.519 -0.338 0.000 1.196 441 W CA 1.426 58.560 57.345 -0.352 0.000 1.307 441 W CB -0.403 28.825 29.460 -0.386 0.000 1.157 441 W HN -0.044 nan 8.180 nan 0.000 0.483 442 I N 0.599 121.233 120.570 0.108 0.000 2.151 442 I HA -0.350 3.787 4.170 -0.054 0.000 0.243 442 I C 2.428 178.351 176.117 -0.322 0.000 1.080 442 I CA 1.557 62.848 61.300 -0.015 0.000 1.339 442 I CB -1.037 36.784 38.000 -0.298 0.000 1.039 442 I HN 0.147 nan 8.210 nan 0.000 0.409 443 L N 0.536 121.452 121.223 -0.511 0.000 1.989 443 L HA -0.227 4.080 4.340 -0.054 0.000 0.211 443 L C 2.503 179.140 176.870 -0.387 0.000 1.071 443 L CA 2.275 56.824 54.840 -0.484 0.000 0.749 443 L CB -1.096 40.627 42.059 -0.560 0.000 0.890 443 L HN 0.147 nan 8.230 nan 0.000 0.431 444 T N -0.486 113.803 114.554 -0.441 0.000 2.665 444 T HA -0.289 4.029 4.350 -0.054 0.000 0.268 444 T C 2.010 176.398 174.700 -0.519 0.000 1.035 444 T CA 1.923 63.750 62.100 -0.455 0.000 1.151 444 T CB -0.343 68.213 68.868 -0.521 0.000 0.862 444 T HN 0.275 nan 8.240 nan 0.000 0.438 445 R N 0.933 120.982 120.500 -0.752 0.000 2.081 445 R HA -0.022 4.286 4.340 -0.054 0.000 0.235 445 R C 2.204 178.278 176.300 -0.377 0.000 1.131 445 R CA 1.276 56.912 56.100 -0.773 0.000 0.960 445 R CB -1.105 28.420 30.300 -1.293 0.000 0.856 445 R HN 0.285 nan 8.270 nan 0.000 0.436 446 V N 1.445 121.236 119.914 -0.205 0.000 2.407 446 V HA -0.229 3.859 4.120 -0.054 0.000 0.248 446 V C 1.824 177.844 176.094 -0.123 0.000 1.055 446 V CA 2.057 64.322 62.300 -0.058 0.000 1.049 446 V CB -0.624 31.159 31.823 -0.066 0.000 0.662 446 V HN 0.409 nan 8.190 nan 0.000 0.455 447 N N -0.126 118.462 118.700 -0.187 0.000 2.309 447 N HA -0.123 4.584 4.740 -0.054 0.000 0.182 447 N C 1.852 177.263 175.510 -0.164 0.000 1.018 447 N CA 1.069 54.017 53.050 -0.170 0.000 0.876 447 N CB -0.134 38.240 38.487 -0.188 0.000 0.972 447 N HN 0.480 nan 8.380 nan 0.000 0.434 448 K N 0.621 120.901 120.400 -0.200 0.000 2.025 448 K HA 0.072 4.359 4.320 -0.054 0.000 0.207 448 K C 1.916 178.434 176.600 -0.136 0.000 1.049 448 K CA 1.131 57.308 56.287 -0.183 0.000 0.933 448 K CB -0.053 32.305 32.500 -0.237 0.000 0.714 448 K HN 0.075 nan 8.250 nan 0.000 0.438 449 A N 0.498 123.244 122.820 -0.122 0.000 2.015 449 A HA -0.062 4.226 4.320 -0.054 0.000 0.219 449 A C 1.878 179.422 177.584 -0.066 0.000 1.163 449 A CA 1.073 53.066 52.037 -0.073 0.000 0.646 449 A CB -0.339 18.650 19.000 -0.019 0.000 0.806 449 A HN 0.213 nan 8.150 nan 0.000 0.448 450 L N -0.966 120.209 121.223 -0.080 0.000 2.446 450 L HA 0.093 4.401 4.340 -0.054 0.000 0.219 450 L C 0.304 177.120 176.870 -0.091 0.000 1.116 450 L CA 0.220 55.010 54.840 -0.083 0.000 0.844 450 L CB -0.041 41.964 42.059 -0.090 0.000 0.970 450 L HN 0.301 nan 8.230 nan 0.000 0.457 459 S N -0.006 115.812 115.700 0.197 0.000 2.546 459 S HA 0.765 5.202 4.470 -0.054 0.000 0.274 459 S C -0.841 173.984 174.600 0.375 0.000 1.121 459 S CA -0.195 58.113 58.200 0.179 0.000 0.887 459 S CB 1.728 64.950 63.200 0.037 0.000 1.094 459 S HN 1.688 nan 8.310 nan 0.000 0.474 460 F N 0.533 120.610 119.950 0.213 0.000 2.577 460 F HA 0.827 5.323 4.527 -0.051 0.000 0.318 460 F C -1.453 174.493 175.800 0.244 0.000 1.065 460 F CA -1.476 56.689 58.000 0.276 0.000 0.929 460 F CB 1.259 40.355 39.000 0.160 0.000 1.237 460 F HN 0.623 nan 8.300 nan 0.000 0.468 461 L N 3.769 125.310 121.223 0.530 0.000 2.366 461 L HA 0.642 4.949 4.340 -0.054 0.000 0.266 461 L C 0.131 177.228 176.870 0.379 0.000 1.010 461 L CA -0.505 54.505 54.840 0.283 0.000 0.879 461 L CB 0.568 42.832 42.059 0.342 0.000 1.228 461 L HN 1.066 nan 8.230 nan 0.000 0.439 462 G N 5.061 114.164 108.800 0.504 0.000 2.483 462 G HA2 0.493 4.421 3.960 -0.054 0.000 0.248 462 G HA3 0.493 4.421 3.960 -0.054 0.000 0.248 462 G C -0.545 174.462 174.900 0.179 0.000 1.248 462 G CA -0.319 44.942 45.100 0.267 0.000 0.838 462 G HN 0.554 nan 8.290 nan 0.000 0.566 463 I N 1.132 121.677 120.570 -0.040 0.000 2.534 463 I HA 0.255 4.392 4.170 -0.054 0.000 0.288 463 I C -1.086 175.168 176.117 0.227 0.000 1.077 463 I CA -0.725 60.641 61.300 0.109 0.000 1.051 463 I CB 2.218 40.246 38.000 0.047 0.000 1.234 463 I HN 0.260 nan 8.210 nan 0.000 0.425 464 L N 5.994 127.393 121.223 0.294 0.000 2.318 464 L HA 0.461 4.769 4.340 -0.054 0.000 0.277 464 L C -0.723 176.244 176.870 0.162 0.000 1.008 464 L CA 0.046 55.078 54.840 0.320 0.000 0.846 464 L CB 1.045 43.260 42.059 0.260 0.000 1.220 464 L HN 0.504 nan 8.230 nan 0.000 0.423 465 D N 5.702 126.194 120.400 0.155 0.000 2.485 465 D HA 0.252 4.859 4.640 -0.054 0.000 0.256 465 D C 0.051 176.387 176.300 0.061 0.000 1.141 465 D CA -0.438 53.611 54.000 0.082 0.000 0.942 465 D CB 0.143 40.978 40.800 0.058 0.000 1.003 465 D HN 0.465 nan 8.370 nan 0.000 0.507 466 I N -0.572 120.028 120.570 0.050 0.000 3.079 466 I HA 0.607 4.744 4.170 -0.054 0.000 0.295 466 I C 0.464 176.577 176.117 -0.007 0.000 1.094 466 I CA -1.197 60.121 61.300 0.030 0.000 1.295 466 I CB 0.828 38.831 38.000 0.006 0.000 1.443 466 I HN 0.220 nan 8.210 nan 0.000 0.607 467 A N 2.572 125.383 122.820 -0.015 0.000 2.409 467 A HA 0.571 4.858 4.320 -0.054 0.000 0.267 467 A C 0.494 178.072 177.584 -0.009 0.000 1.127 467 A CA -0.018 51.997 52.037 -0.037 0.000 0.795 467 A CB -0.485 18.492 19.000 -0.038 0.000 1.061 467 A HN 1.038 nan 8.150 nan 0.000 0.502 468 G N 0.810 109.609 108.800 -0.003 0.000 2.467 468 G HA2 0.418 4.345 3.960 -0.054 0.000 0.257 468 G HA3 0.418 4.345 3.960 -0.054 0.000 0.257 468 G C -0.132 174.790 174.900 0.036 0.000 1.227 468 G CA -0.536 44.589 45.100 0.041 0.000 0.835 468 G HN 0.690 nan 8.290 nan 0.000 0.556 469 F N 1.648 121.561 119.950 -0.061 0.000 2.623 469 F HA 0.132 4.626 4.527 -0.054 0.000 0.386 469 F C 1.019 176.699 175.800 -0.201 0.000 1.068 469 F CA 0.593 58.525 58.000 -0.114 0.000 1.265 469 F CB 0.516 39.458 39.000 -0.097 0.000 1.026 469 F HN 0.596 nan 8.300 nan 0.000 0.568 470 E N 6.477 126.231 120.200 -0.743 0.000 2.356 470 E HA 0.509 4.827 4.350 -0.054 0.000 0.275 470 E C -1.572 174.476 176.600 -0.920 0.000 0.904 470 E CA -0.898 55.041 56.400 -0.768 0.000 0.757 470 E CB 1.972 31.101 29.700 -0.952 0.000 1.232 470 E HN 0.585 nan 8.360 nan 0.000 0.442 471 I N 3.142 123.286 120.570 -0.710 0.000 2.537 471 I HA 0.287 4.425 4.170 -0.054 0.000 0.276 471 I C -0.983 174.925 176.117 -0.349 0.000 1.063 471 I CA -0.648 60.358 61.300 -0.490 0.000 1.144 471 I CB 0.185 38.017 38.000 -0.280 0.000 1.252 471 I HN 0.408 nan 8.210 nan 0.000 0.480 472 F N 3.095 122.950 119.950 -0.159 0.000 2.375 472 F HA 0.260 4.754 4.527 -0.055 0.000 0.313 472 F C 1.950 177.687 175.800 -0.103 0.000 1.176 472 F CA -0.442 57.488 58.000 -0.117 0.000 1.142 472 F CB 0.524 39.466 39.000 -0.096 0.000 1.275 472 F HN 0.400 nan 8.300 nan 0.000 0.544 473 E N 0.051 120.338 120.200 0.144 0.000 2.097 473 E HA -0.154 4.164 4.350 -0.054 0.000 0.196 473 E C 0.006 176.624 176.600 0.030 0.000 1.000 473 E CA 1.208 57.633 56.400 0.043 0.000 0.804 473 E CB 0.097 29.806 29.700 0.016 0.000 0.740 473 E HN 0.096 nan 8.360 nan 0.000 0.454 474 I N 2.123 122.730 120.570 0.062 0.000 2.411 474 I HA 0.180 4.318 4.170 -0.054 0.000 0.284 474 I C -0.681 175.508 176.117 0.120 0.000 1.012 474 I CA -0.491 60.845 61.300 0.060 0.000 1.119 474 I CB 1.294 39.322 38.000 0.046 0.000 1.261 474 I HN -0.121 nan 8.210 nan 0.000 0.448 475 N N 4.292 123.056 118.700 0.105 0.000 2.437 475 N HA 0.272 4.979 4.740 -0.054 0.000 0.259 475 N C -0.060 175.675 175.510 0.375 0.000 0.983 475 N CA -0.072 53.092 53.050 0.190 0.000 0.937 475 N CB 2.400 40.893 38.487 0.009 0.000 1.122 475 N HN 0.451 nan 8.380 nan 0.000 0.499 476 S N 0.807 116.724 115.700 0.361 0.000 2.690 476 S HA 0.290 4.727 4.470 -0.054 0.000 0.285 476 S C 1.172 175.952 174.600 0.299 0.000 1.135 476 S CA -0.565 57.914 58.200 0.465 0.000 1.020 476 S CB 0.414 63.783 63.200 0.283 0.000 1.159 476 S HN 0.466 nan 8.310 nan 0.000 0.534 477 F N 1.744 121.485 119.950 -0.348 0.000 2.192 477 F HA -0.090 4.404 4.527 -0.055 0.000 0.301 477 F C 1.857 177.356 175.800 -0.502 0.000 1.079 477 F CA 2.077 59.413 58.000 -1.108 0.000 1.303 477 F CB -0.468 37.634 39.000 -1.497 0.000 1.024 477 F HN 0.604 nan 8.300 nan 0.000 0.494 478 E N 0.102 120.119 120.200 -0.305 0.000 2.031 478 E HA -0.241 4.076 4.350 -0.054 0.000 0.193 478 E C 2.121 178.570 176.600 -0.252 0.000 0.994 478 E CA 1.655 57.884 56.400 -0.286 0.000 0.800 478 E CB -0.444 29.203 29.700 -0.088 0.000 0.752 478 E HN 0.373 nan 8.360 nan 0.000 0.447 479 Q N 0.038 119.788 119.800 -0.083 0.000 2.124 479 Q HA -0.110 4.197 4.340 -0.054 0.000 0.202 479 Q C 2.127 178.098 176.000 -0.049 0.000 0.977 479 Q CA 0.829 56.617 55.803 -0.026 0.000 0.850 479 Q CB -0.354 28.458 28.738 0.123 0.000 0.901 479 Q HN 0.254 nan 8.270 nan 0.000 0.429 480 L N -0.455 120.650 121.223 -0.197 0.000 2.012 480 L HA -0.225 4.083 4.340 -0.054 0.000 0.210 480 L C 1.953 178.699 176.870 -0.208 0.000 1.073 480 L CA 1.812 56.411 54.840 -0.401 0.000 0.748 480 L CB -0.677 41.004 42.059 -0.630 0.000 0.891 480 L HN 0.292 nan 8.230 nan 0.000 0.431 481 C N -0.457 118.602 119.300 -0.401 0.000 2.432 481 C HA -0.147 4.281 4.460 -0.054 0.000 0.277 481 C C 2.686 177.613 174.990 -0.106 0.000 1.249 481 C CA 0.929 59.803 59.018 -0.241 0.000 1.725 481 C CB -0.939 26.432 27.740 -0.616 0.000 2.028 481 C HN 0.602 nan 8.230 nan 0.000 0.477 482 I N 1.522 121.982 120.570 -0.183 0.000 2.127 482 I HA -0.240 3.897 4.170 -0.054 0.000 0.241 482 I C 2.199 178.288 176.117 -0.046 0.000 1.075 482 I CA 1.633 62.861 61.300 -0.119 0.000 1.334 482 I CB -0.513 37.405 38.000 -0.137 0.000 1.040 482 I HN 0.424 nan 8.210 nan 0.000 0.405 483 N N 0.065 118.709 118.700 -0.094 0.000 2.223 483 N HA -0.242 4.465 4.740 -0.054 0.000 0.185 483 N C 1.767 177.360 175.510 0.139 0.000 1.016 483 N CA 1.244 54.256 53.050 -0.063 0.000 0.863 483 N CB -0.571 37.597 38.487 -0.532 0.000 0.983 483 N HN 0.446 nan 8.380 nan 0.000 0.429 484 Y N 2.207 122.536 120.300 0.048 0.000 2.181 484 Y HA -0.114 4.403 4.550 -0.054 0.000 0.288 484 Y C 2.055 178.046 175.900 0.153 0.000 1.146 484 Y CA 1.411 59.616 58.100 0.176 0.000 1.164 484 Y CB -0.887 37.666 38.460 0.155 0.000 0.982 484 Y HN -0.055 nan 8.280 nan 0.000 0.515 485 T N 1.277 115.737 114.554 -0.156 0.000 2.821 485 T HA -0.163 4.155 4.350 -0.054 0.000 0.267 485 T C 1.757 176.395 174.700 -0.103 0.000 1.046 485 T CA 1.425 63.361 62.100 -0.274 0.000 1.139 485 T CB -0.291 68.515 68.868 -0.103 0.000 0.871 485 T HN 0.465 nan 8.240 nan 0.000 0.454 486 N N 0.777 119.509 118.700 0.052 0.000 2.142 486 N HA -0.101 4.607 4.740 -0.054 0.000 0.186 486 N C 2.022 177.521 175.510 -0.019 0.000 1.023 486 N CA 1.081 54.205 53.050 0.122 0.000 0.852 486 N CB -0.122 38.587 38.487 0.370 0.000 0.998 486 N HN 0.474 nan 8.380 nan 0.000 0.424 487 E N 1.368 121.627 120.200 0.098 0.000 2.077 487 E HA -0.078 4.239 4.350 -0.054 0.000 0.193 487 E C 1.828 178.364 176.600 -0.107 0.000 0.989 487 E CA 1.089 57.457 56.400 -0.054 0.000 0.800 487 E CB 0.172 30.088 29.700 0.360 0.000 0.746 487 E HN 0.152 nan 8.360 nan 0.000 0.452 488 K N -0.197 120.169 120.400 -0.057 0.000 2.097 488 K HA -0.156 4.131 4.320 -0.054 0.000 0.206 488 K C 2.047 178.590 176.600 -0.095 0.000 1.049 488 K CA 0.912 57.144 56.287 -0.091 0.000 0.933 488 K CB -0.152 32.205 32.500 -0.237 0.000 0.717 488 K HN 0.160 nan 8.250 nan 0.000 0.442 489 L N 1.384 122.543 121.223 -0.106 0.000 2.072 489 L HA -0.157 4.150 4.340 -0.054 0.000 0.205 489 L C 2.411 179.271 176.870 -0.016 0.000 1.079 489 L CA 1.691 56.510 54.840 -0.035 0.000 0.752 489 L CB -0.571 41.475 42.059 -0.021 0.000 0.906 489 L HN 0.085 nan 8.230 nan 0.000 0.436 490 Q N -0.621 119.059 119.800 -0.200 0.000 2.084 490 Q HA -0.275 4.032 4.340 -0.054 0.000 0.202 490 Q C 2.229 178.174 176.000 -0.093 0.000 0.978 490 Q CA 2.053 57.693 55.803 -0.272 0.000 0.844 490 Q CB -0.383 27.916 28.738 -0.733 0.000 0.898 490 Q HN 0.551 nan 8.270 nan 0.000 0.426 491 Q N -0.117 119.631 119.800 -0.087 0.000 2.061 491 Q HA -0.144 4.164 4.340 -0.054 0.000 0.204 491 Q C 1.940 177.971 176.000 0.052 0.000 0.984 491 Q CA 1.808 57.618 55.803 0.011 0.000 0.846 491 Q CB -0.755 27.993 28.738 0.017 0.000 0.902 491 Q HN 0.497 nan 8.270 nan 0.000 0.421 492 L N -0.076 121.182 121.223 0.059 0.000 2.081 492 L HA -0.132 4.175 4.340 -0.054 0.000 0.212 492 L C 2.085 179.016 176.870 0.101 0.000 1.080 492 L CA 1.916 56.828 54.840 0.120 0.000 0.754 492 L CB -0.716 41.448 42.059 0.174 0.000 0.893 492 L HN 0.417 nan 8.230 nan 0.000 0.433 493 F N 0.426 120.239 119.950 -0.228 0.000 2.031 493 F HA -0.241 4.253 4.527 -0.055 0.000 0.295 493 F C 2.286 177.707 175.800 -0.631 0.000 1.133 493 F CA 1.976 59.460 58.000 -0.859 0.000 1.188 493 F CB -0.615 37.807 39.000 -0.963 0.000 0.974 493 F HN 0.187 nan 8.300 nan 0.000 0.473 494 N N 0.032 118.605 118.700 -0.211 0.000 2.049 494 N HA -0.323 4.385 4.740 -0.054 0.000 0.198 494 N C 1.814 177.193 175.510 -0.218 0.000 1.030 494 N CA 2.066 55.022 53.050 -0.157 0.000 0.870 494 N CB -1.205 37.420 38.487 0.231 0.000 1.045 494 N HN 0.561 nan 8.380 nan 0.000 0.434 495 H N 0.232 119.210 119.070 -0.153 0.000 2.267 495 H HA -0.063 4.461 4.556 -0.054 0.000 0.297 495 H C 1.761 176.971 175.328 -0.197 0.000 1.080 495 H CA 2.563 58.557 56.048 -0.090 0.000 1.278 495 H CB -0.502 29.240 29.762 -0.033 0.000 1.365 495 H HN 0.137 nan 8.280 nan 0.000 0.489 496 T N 1.038 115.454 114.554 -0.231 0.000 2.569 496 T HA -0.207 4.110 4.350 -0.054 0.000 0.263 496 T C 2.148 176.513 174.700 -0.558 0.000 1.074 496 T CA 1.649 63.563 62.100 -0.310 0.000 1.176 496 T CB -0.289 68.482 68.868 -0.162 0.000 0.863 496 T HN 0.204 nan 8.240 nan 0.000 0.410 497 M N 0.366 119.376 119.600 -0.983 0.000 2.089 497 M HA -0.061 4.386 4.480 -0.054 0.000 0.257 497 M C 1.931 177.636 176.300 -0.992 0.000 1.071 497 M CA 1.847 56.380 55.300 -1.279 0.000 1.096 497 M CB -1.208 29.943 32.600 -2.415 0.000 1.330 497 M HN 0.305 nan 8.290 nan 0.000 0.403 498 F N -2.052 117.620 119.950 -0.464 0.000 2.514 498 F HA 0.123 4.618 4.527 -0.054 0.000 0.281 498 F C 2.043 177.747 175.800 -0.160 0.000 1.060 498 F CA -0.184 57.622 58.000 -0.324 0.000 1.397 498 F CB -1.063 37.794 39.000 -0.239 0.000 1.129 498 F HN -0.065 nan 8.300 nan 0.000 0.620 499 I N 0.525 121.074 120.570 -0.035 0.000 2.185 499 I HA -0.124 4.014 4.170 -0.054 0.000 0.235 499 I C 2.421 178.424 176.117 -0.190 0.000 1.069 499 I CA 1.050 62.324 61.300 -0.044 0.000 1.354 499 I CB -1.248 36.617 38.000 -0.226 0.000 1.093 499 I HN -0.006 nan 8.210 nan 0.000 0.411 500 L N 0.030 120.999 121.223 -0.422 0.000 2.051 500 L HA -0.275 4.033 4.340 -0.054 0.000 0.214 500 L C 2.569 179.274 176.870 -0.276 0.000 1.076 500 L CA 1.412 56.071 54.840 -0.301 0.000 0.758 500 L CB -0.749 41.146 42.059 -0.273 0.000 0.890 500 L HN 0.340 nan 8.230 nan 0.000 0.433 501 E N 0.403 120.396 120.200 -0.345 0.000 2.013 501 E HA -0.256 4.062 4.350 -0.054 0.000 0.202 501 E C 2.158 178.266 176.600 -0.820 0.000 1.018 501 E CA 1.668 57.755 56.400 -0.522 0.000 0.834 501 E CB -0.369 29.049 29.700 -0.471 0.000 0.770 501 E HN 0.565 nan 8.360 nan 0.000 0.459 502 Q N 0.222 119.692 119.800 -0.549 0.000 2.135 502 Q HA -0.182 4.126 4.340 -0.054 0.000 0.204 502 Q C 2.143 178.077 176.000 -0.109 0.000 0.981 502 Q CA 1.235 56.833 55.803 -0.342 0.000 0.856 502 Q CB -0.292 28.590 28.738 0.239 0.000 0.902 502 Q HN 0.421 nan 8.270 nan 0.000 0.425 503 E N 1.037 121.208 120.200 -0.049 0.000 2.070 503 E HA -0.258 4.059 4.350 -0.054 0.000 0.197 503 E C 1.979 178.566 176.600 -0.022 0.000 1.004 503 E CA 1.510 57.916 56.400 0.009 0.000 0.805 503 E CB -0.058 29.635 29.700 -0.011 0.000 0.744 503 E HN 0.386 nan 8.360 nan 0.000 0.451 504 E N 0.275 120.408 120.200 -0.112 0.000 2.153 504 E HA -0.204 4.114 4.350 -0.054 0.000 0.194 504 E C 1.618 178.231 176.600 0.022 0.000 0.988 504 E CA 0.981 57.362 56.400 -0.031 0.000 0.811 504 E CB -0.190 29.491 29.700 -0.033 0.000 0.746 504 E HN 0.226 nan 8.360 nan 0.000 0.466 505 Y N 1.494 121.684 120.300 -0.184 0.000 2.036 505 Y HA -0.252 4.266 4.550 -0.054 0.000 0.273 505 Y C 2.604 178.386 175.900 -0.196 0.000 1.135 505 Y CA 1.708 59.566 58.100 -0.402 0.000 1.106 505 Y CB -1.523 36.607 38.460 -0.550 0.000 0.976 505 Y HN 0.284 nan 8.280 nan 0.000 0.483 506 Q N 1.586 121.481 119.800 0.159 0.000 2.112 506 Q HA -0.290 4.017 4.340 -0.054 0.000 0.206 506 Q C 2.320 178.368 176.000 0.079 0.000 0.987 506 Q CA 2.335 58.220 55.803 0.136 0.000 0.858 506 Q CB -0.537 28.307 28.738 0.176 0.000 0.905 506 Q HN 0.615 nan 8.270 nan 0.000 0.420 507 R N 0.274 120.817 120.500 0.072 0.000 2.120 507 R HA -0.162 4.146 4.340 -0.054 0.000 0.234 507 R C 1.537 177.880 176.300 0.072 0.000 1.123 507 R CA 1.800 57.939 56.100 0.065 0.000 0.975 507 R CB -0.099 30.236 30.300 0.059 0.000 0.866 507 R HN 0.243 nan 8.270 nan 0.000 0.446 508 E N -0.627 119.622 120.200 0.082 0.000 2.474 508 E HA 0.128 4.445 4.350 -0.054 0.000 0.195 508 E C 0.351 176.987 176.600 0.060 0.000 1.039 508 E CA 0.657 57.126 56.400 0.116 0.000 0.881 508 E CB 0.514 30.387 29.700 0.289 0.000 0.970 508 E HN 0.538 nan 8.360 nan 0.000 0.486 509 G N 1.003 109.818 108.800 0.025 0.000 2.160 509 G HA2 -0.230 3.698 3.960 -0.054 0.000 0.244 509 G HA3 -0.230 3.698 3.960 -0.054 0.000 0.244 509 G C 0.060 174.936 174.900 -0.040 0.000 1.022 509 G CA 0.234 45.341 45.100 0.012 0.000 0.741 509 G HN 0.209 nan 8.290 nan 0.000 0.508 510 I N 0.848 121.341 120.570 -0.128 0.000 2.638 510 I HA 0.172 4.309 4.170 -0.054 0.000 0.286 510 I C 1.120 177.191 176.117 -0.077 0.000 1.088 510 I CA -0.922 60.237 61.300 -0.236 0.000 1.397 510 I CB 1.187 38.831 38.000 -0.594 0.000 1.414 510 I HN 0.351 nan 8.210 nan 0.000 0.566 511 E N 7.205 127.358 120.200 -0.077 0.000 1.939 511 E HA -0.054 4.264 4.350 -0.054 0.000 0.259 511 E C -1.446 175.223 176.600 0.115 0.000 1.259 511 E CA 0.032 56.435 56.400 0.005 0.000 0.971 511 E CB 0.295 29.981 29.700 -0.024 0.000 1.055 511 E HN 0.526 nan 8.360 nan 0.000 0.420 512 W N 4.893 126.150 121.300 -0.071 0.000 3.097 512 W HA 0.335 4.963 4.660 -0.054 0.000 0.335 512 W C -1.728 174.817 176.519 0.044 0.000 1.114 512 W CA -0.803 56.526 57.345 -0.027 0.000 1.231 512 W CB 1.316 30.747 29.460 -0.047 0.000 1.388 512 W HN 0.306 nan 8.180 nan 0.000 0.485 513 N N 4.733 122.992 118.700 -0.734 0.000 2.424 513 N HA 0.228 4.936 4.740 -0.054 0.000 0.271 513 N C -0.532 174.602 175.510 -0.627 0.000 0.985 513 N CA -0.507 52.257 53.050 -0.476 0.000 0.921 513 N CB 1.241 39.514 38.487 -0.358 0.000 1.149 513 N HN 0.267 nan 8.380 nan 0.000 0.492 514 F N 2.997 122.829 119.950 -0.198 0.000 2.642 514 F HA 0.058 4.553 4.527 -0.054 0.000 0.371 514 F C -0.139 175.624 175.800 -0.061 0.000 1.120 514 F CA 0.331 58.367 58.000 0.059 0.000 1.331 514 F CB 0.301 39.373 39.000 0.121 0.000 1.044 514 F HN 0.371 nan 8.300 nan 0.000 0.594 515 I N 5.407 125.463 120.570 -0.855 0.000 2.411 515 I HA 0.127 4.264 4.170 -0.054 0.000 0.284 515 I C -0.911 174.648 176.117 -0.930 0.000 1.012 515 I CA -0.939 59.906 61.300 -0.758 0.000 1.119 515 I CB 1.384 38.913 38.000 -0.786 0.000 1.261 515 I HN 0.447 nan 8.210 nan 0.000 0.448 516 D N 5.888 126.102 120.400 -0.311 0.000 2.344 516 D HA 0.110 4.717 4.640 -0.054 0.000 0.253 516 D C 0.289 176.452 176.300 -0.230 0.000 1.255 516 D CA 0.131 54.154 54.000 0.038 0.000 0.894 516 D CB 0.440 41.360 40.800 0.200 0.000 1.067 516 D HN 0.302 nan 8.370 nan 0.000 0.492 517 F N 2.277 122.102 119.950 -0.209 0.000 2.804 517 F HA 0.224 4.718 4.527 -0.054 0.000 0.303 517 F C 2.020 177.662 175.800 -0.263 0.000 1.154 517 F CA 0.322 58.112 58.000 -0.350 0.000 1.401 517 F CB -0.095 38.422 39.000 -0.804 0.000 1.106 517 F HN 0.636 nan 8.300 nan 0.000 0.568 518 G N 1.776 110.581 108.800 0.009 0.000 2.372 518 G HA2 -0.282 3.646 3.960 -0.054 0.000 0.297 518 G HA3 -0.282 3.646 3.960 -0.054 0.000 0.297 518 G C -0.423 174.498 174.900 0.035 0.000 1.005 518 G CA -0.037 45.080 45.100 0.027 0.000 1.173 518 G HN 0.392 nan 8.290 nan 0.000 0.511 519 L N 0.775 122.036 121.223 0.063 0.000 2.563 519 L HA 0.454 4.762 4.340 -0.054 0.000 0.259 519 L C -0.979 175.991 176.870 0.167 0.000 1.034 519 L CA -0.689 54.218 54.840 0.111 0.000 0.899 519 L CB 1.906 44.034 42.059 0.115 0.000 1.159 519 L HN 0.266 nan 8.230 nan 0.000 0.456 520 D N 2.254 122.741 120.400 0.145 0.000 2.936 520 D HA 0.420 5.027 4.640 -0.054 0.000 0.238 520 D C -0.008 176.374 176.300 0.137 0.000 1.248 520 D CA -0.400 53.689 54.000 0.148 0.000 0.903 520 D CB 2.075 42.959 40.800 0.139 0.000 1.544 520 D HN 0.283 nan 8.370 nan 0.000 0.543 521 L N 2.741 124.045 121.223 0.134 0.000 2.693 521 L HA 0.133 4.441 4.340 -0.054 0.000 0.235 521 L C 1.746 178.708 176.870 0.154 0.000 1.127 521 L CA -0.177 54.749 54.840 0.144 0.000 0.914 521 L CB 0.151 42.279 42.059 0.115 0.000 1.193 521 L HN 0.398 nan 8.230 nan 0.000 0.502 522 Q N 1.516 121.398 119.800 0.136 0.000 2.082 522 Q HA -0.189 4.118 4.340 -0.054 0.000 0.211 522 Q C -0.636 175.461 176.000 0.161 0.000 1.002 522 Q CA 2.406 58.288 55.803 0.132 0.000 0.868 522 Q CB -1.327 27.478 28.738 0.112 0.000 0.931 522 Q HN 0.279 nan 8.270 nan 0.000 0.414 523 P HA -0.264 nan 4.420 nan 0.000 0.209 523 P C 1.519 179.021 177.300 0.337 0.000 1.167 523 P CA 1.893 65.141 63.100 0.247 0.000 0.941 523 P CB -0.770 31.039 31.700 0.183 0.000 0.787 524 C N -0.625 118.864 119.300 0.316 0.000 2.385 524 C HA -0.192 4.235 4.460 -0.054 0.000 0.275 524 C C 2.886 177.988 174.990 0.188 0.000 1.207 524 C CA 0.968 60.135 59.018 0.248 0.000 1.760 524 C CB -1.903 25.989 27.740 0.253 0.000 2.051 524 C HN 0.113 nan 8.230 nan 0.000 0.467 525 I N 0.824 121.525 120.570 0.218 0.000 2.151 525 I HA -0.198 3.940 4.170 -0.054 0.000 0.243 525 I C 2.615 178.811 176.117 0.132 0.000 1.080 525 I CA 1.882 63.314 61.300 0.220 0.000 1.339 525 I CB -0.525 37.607 38.000 0.219 0.000 1.039 525 I HN 0.398 nan 8.210 nan 0.000 0.409 526 E N 0.211 120.488 120.200 0.127 0.000 2.150 526 E HA -0.194 4.124 4.350 -0.054 0.000 0.193 526 E C 2.071 178.689 176.600 0.031 0.000 0.985 526 E CA 0.910 57.365 56.400 0.091 0.000 0.814 526 E CB -0.453 29.322 29.700 0.124 0.000 0.752 526 E HN 0.379 nan 8.360 nan 0.000 0.466 527 L N 0.149 121.355 121.223 -0.029 0.000 2.450 527 L HA -0.055 4.253 4.340 -0.054 0.000 0.224 527 L C 1.628 178.445 176.870 -0.090 0.000 1.149 527 L CA 1.282 55.990 54.840 -0.220 0.000 0.816 527 L CB -0.095 41.604 42.059 -0.600 0.000 0.932 527 L HN 0.011 nan 8.230 nan 0.000 0.449 528 I N -1.216 119.317 120.570 -0.061 0.000 3.812 528 I HA 0.009 4.147 4.170 -0.054 0.000 0.292 528 I C 1.618 177.647 176.117 -0.148 0.000 1.206 528 I CA 0.635 61.869 61.300 -0.109 0.000 1.370 528 I CB 0.235 38.085 38.000 -0.250 0.000 1.328 528 I HN 0.269 nan 8.210 nan 0.000 0.453 529 E N 0.487 120.606 120.200 -0.136 0.000 2.501 529 E HA 0.110 4.428 4.350 -0.054 0.000 0.201 529 E C 0.769 177.379 176.600 0.016 0.000 1.016 529 E CA -0.368 55.997 56.400 -0.058 0.000 0.920 529 E CB 0.094 29.808 29.700 0.022 0.000 1.023 529 E HN -0.024 nan 8.360 nan 0.000 0.474 530 R N 2.835 123.344 120.500 0.016 0.000 2.606 530 R HA 0.090 4.397 4.340 -0.054 0.000 0.276 530 R C -1.749 174.570 176.300 0.032 0.000 1.416 530 R CA -1.903 54.216 56.100 0.031 0.000 1.064 530 R CB -0.072 30.247 30.300 0.031 0.000 1.117 530 R HN 0.118 nan 8.270 nan 0.000 0.543 531 P HA -0.132 nan 4.420 nan 0.000 0.208 531 P C 0.314 177.634 177.300 0.034 0.000 1.195 531 P CA 1.288 64.411 63.100 0.039 0.000 0.927 531 P CB -0.304 31.420 31.700 0.040 0.000 0.778 532 T N -3.627 110.945 114.554 0.030 0.000 2.771 532 T HA 0.212 4.529 4.350 -0.054 0.000 0.290 532 T C 0.891 175.605 174.700 0.024 0.000 1.005 532 T CA -0.410 61.706 62.100 0.025 0.000 0.944 532 T CB -0.177 68.705 68.868 0.023 0.000 1.147 532 T HN 0.173 nan 8.240 nan 0.000 0.534 533 N N -0.048 118.664 118.700 0.020 0.000 1.170 533 N HA -0.147 4.561 4.740 -0.054 0.000 0.121 533 N C -2.553 172.966 175.510 0.015 0.000 0.786 533 N CA 0.872 53.933 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 -2.337 174.969 177.300 0.010 0.000 1.207 534 P CA -0.393 62.715 63.100 0.013 0.000 0.780 534 P CB -0.262 31.455 31.700 0.029 0.000 0.789 535 P HA 0.110 nan 4.420 nan 0.000 0.266 535 P C 0.551 177.845 177.300 -0.010 0.000 1.195 535 P CA 0.459 63.559 63.100 0.001 0.000 0.768 535 P CB 0.667 32.364 31.700 -0.005 0.000 0.838 536 G N 1.031 109.836 108.800 0.009 0.000 2.537 536 G HA2 0.370 4.298 3.960 -0.054 0.000 0.323 536 G HA3 0.370 4.298 3.960 -0.054 0.000 0.323 536 G C 0.951 175.880 174.900 0.049 0.000 1.207 536 G CA -0.763 44.338 45.100 0.002 0.000 0.976 536 G HN 0.246 nan 8.290 nan 0.000 0.487 537 V N 0.494 120.449 119.914 0.068 0.000 2.231 537 V HA -0.247 3.840 4.120 -0.054 0.000 0.250 537 V C 2.949 179.233 176.094 0.317 0.000 1.058 537 V CA 1.943 64.361 62.300 0.198 0.000 1.022 537 V CB -0.913 31.067 31.823 0.263 0.000 0.640 537 V HN 0.598 nan 8.190 nan 0.000 0.445 538 L N -0.248 121.106 121.223 0.218 0.000 1.989 538 L HA -0.231 4.077 4.340 -0.054 0.000 0.211 538 L C 2.710 179.691 176.870 0.184 0.000 1.071 538 L CA 1.977 56.949 54.840 0.220 0.000 0.749 538 L CB -0.883 41.253 42.059 0.128 0.000 0.890 538 L HN 0.427 nan 8.230 nan 0.000 0.431 539 A N -0.345 122.554 122.820 0.132 0.000 1.969 539 A HA -0.120 4.167 4.320 -0.054 0.000 0.218 539 A C 2.249 179.910 177.584 0.129 0.000 1.169 539 A CA 1.067 53.169 52.037 0.108 0.000 0.635 539 A CB -0.552 18.491 19.000 0.073 0.000 0.810 539 A HN 0.358 nan 8.150 nan 0.000 0.445 540 L N -1.116 120.206 121.223 0.164 0.000 2.083 540 L HA -0.189 4.119 4.340 -0.054 0.000 0.209 540 L C 2.562 179.620 176.870 0.314 0.000 1.083 540 L CA 1.154 56.103 54.840 0.182 0.000 0.752 540 L CB -0.478 41.653 42.059 0.119 0.000 0.899 540 L HN 0.464 nan 8.230 nan 0.000 0.433 541 L N 0.130 121.601 121.223 0.415 0.000 1.961 541 L HA -0.235 4.073 4.340 -0.054 0.000 0.210 541 L C 2.092 179.007 176.870 0.075 0.000 1.072 541 L CA 1.947 56.902 54.840 0.191 0.000 0.749 541 L CB -0.773 41.246 42.059 -0.067 0.000 0.889 541 L HN 0.198 nan 8.230 nan 0.000 0.432 542 D N 0.129 120.569 120.400 0.066 0.000 2.220 542 D HA -0.246 4.361 4.640 -0.054 0.000 0.198 542 D C 2.154 178.485 176.300 0.052 0.000 1.001 542 D CA 1.646 55.672 54.000 0.043 0.000 0.875 542 D CB -0.178 40.658 40.800 0.060 0.000 0.921 542 D HN 0.692 nan 8.370 nan 0.000 0.454 543 E N 1.355 121.602 120.200 0.079 0.000 2.028 543 E HA -0.157 4.160 4.350 -0.054 0.000 0.190 543 E C 1.942 178.586 176.600 0.073 0.000 0.984 543 E CA 1.055 57.497 56.400 0.069 0.000 0.800 543 E CB -0.701 29.042 29.700 0.072 0.000 0.758 543 E HN 0.075 nan 8.360 nan 0.000 0.448 544 E N 0.187 120.458 120.200 0.117 0.000 2.113 544 E HA -0.155 4.163 4.350 -0.054 0.000 0.210 544 E C 1.595 178.233 176.600 0.063 0.000 1.040 544 E CA 1.334 57.809 56.400 0.125 0.000 0.847 544 E CB -1.131 28.707 29.700 0.229 0.000 0.755 544 E HN 0.769 nan 8.360 nan 0.000 0.459 551 T N -0.265 114.315 114.554 0.043 0.000 2.868 551 T HA 0.467 4.785 4.350 -0.054 0.000 0.292 551 T C 0.842 175.593 174.700 0.086 0.000 1.028 551 T CA 0.301 62.430 62.100 0.049 0.000 1.059 551 T CB 0.221 69.114 68.868 0.041 0.000 0.991 551 T HN 0.423 nan 8.240 nan 0.000 0.531 552 D N 0.786 121.238 120.400 0.086 0.000 2.144 552 D HA -0.105 4.503 4.640 -0.054 0.000 0.199 552 D C 2.232 178.636 176.300 0.173 0.000 0.984 552 D CA 1.836 55.910 54.000 0.124 0.000 0.834 552 D CB -0.226 40.630 40.800 0.093 0.000 0.955 552 D HN 0.697 nan 8.370 nan 0.000 0.465 553 T N -0.074 114.543 114.554 0.106 0.000 2.821 553 T HA -0.159 4.159 4.350 -0.054 0.000 0.267 553 T C 2.086 176.827 174.700 0.070 0.000 1.046 553 T CA 2.008 64.156 62.100 0.081 0.000 1.139 553 T CB -0.181 68.717 68.868 0.050 0.000 0.871 553 T HN 0.112 nan 8.240 nan 0.000 0.454 554 S N 0.175 115.922 115.700 0.077 0.000 2.382 554 S HA -0.130 4.307 4.470 -0.054 0.000 0.228 554 S C 1.822 176.461 174.600 0.065 0.000 1.027 554 S CA 1.508 59.741 58.200 0.055 0.000 0.991 554 S CB -0.940 62.295 63.200 0.058 0.000 0.823 554 S HN 0.632 nan 8.310 nan 0.000 0.469 555 F N 2.806 122.749 119.950 -0.012 0.000 2.069 555 F HA -0.092 4.403 4.527 -0.053 0.000 0.298 555 F C 2.105 177.874 175.800 -0.051 0.000 1.113 555 F CA 1.951 59.939 58.000 -0.019 0.000 1.214 555 F CB -0.942 38.060 39.000 0.003 0.000 0.978 555 F HN 0.111 nan 8.300 nan 0.000 0.474 556 V N 0.974 120.727 119.914 -0.269 0.000 2.282 556 V HA -0.333 3.755 4.120 -0.054 0.000 0.249 556 V C 2.846 178.766 176.094 -0.289 0.000 1.057 556 V CA 2.661 64.737 62.300 -0.372 0.000 1.032 556 V CB -2.013 29.788 31.823 -0.037 0.000 0.645 556 V HN 0.609 nan 8.190 nan 0.000 0.447 557 E N 0.506 120.614 120.200 -0.153 0.000 2.058 557 E HA -0.338 3.980 4.350 -0.054 0.000 0.194 557 E C 2.318 178.819 176.600 -0.165 0.000 0.997 557 E CA 2.692 59.023 56.400 -0.114 0.000 0.801 557 E CB -0.913 28.752 29.700 -0.059 0.000 0.746 557 E HN 0.746 nan 8.360 nan 0.000 0.450 558 K N 0.072 120.354 120.400 -0.196 0.000 2.103 558 K HA 0.280 4.567 4.320 -0.054 0.000 0.204 558 K C 2.347 178.773 176.600 -0.289 0.000 1.052 558 K CA 1.382 57.553 56.287 -0.194 0.000 0.945 558 K CB -0.913 31.507 32.500 -0.134 0.000 0.722 558 K HN 0.448 nan 8.250 nan 0.000 0.443 559 L N 0.738 121.679 121.223 -0.470 0.000 2.079 559 L HA -0.089 4.218 4.340 -0.054 0.000 0.210 559 L C 2.298 178.891 176.870 -0.462 0.000 1.081 559 L CA 1.651 56.169 54.840 -0.535 0.000 0.752 559 L CB -0.215 41.309 42.059 -0.890 0.000 0.896 559 L HN 0.442 nan 8.230 nan 0.000 0.433 560 I N -0.726 119.621 120.570 -0.373 0.000 2.163 560 I HA -0.297 3.840 4.170 -0.054 0.000 0.240 560 I C 2.526 178.418 176.117 -0.375 0.000 1.081 560 I CA 1.734 62.797 61.300 -0.394 0.000 1.353 560 I CB -0.798 37.108 38.000 -0.156 0.000 1.054 560 I HN 0.506 nan 8.210 nan 0.000 0.407 561 Q N 0.816 120.468 119.800 -0.247 0.000 2.234 561 Q HA -0.220 4.087 4.340 -0.054 0.000 0.206 561 Q C 1.865 177.751 176.000 -0.191 0.000 0.980 561 Q CA 1.415 57.109 55.803 -0.182 0.000 0.869 561 Q CB 0.234 28.894 28.738 -0.129 0.000 0.912 561 Q HN 0.454 nan 8.270 nan 0.000 0.436 562 E N -0.274 119.787 120.200 -0.233 0.000 2.075 562 E HA -0.070 4.248 4.350 -0.054 0.000 0.190 562 E C 1.952 178.412 176.600 -0.234 0.000 0.969 562 E CA 0.717 57.000 56.400 -0.194 0.000 0.815 562 E CB 0.089 29.686 29.700 -0.173 0.000 0.776 562 E HN 0.322 nan 8.360 nan 0.000 0.457 563 Q N -0.591 118.966 119.800 -0.405 0.000 2.225 563 Q HA 0.174 4.482 4.340 -0.054 0.000 0.193 563 Q C 1.893 177.510 176.000 -0.639 0.000 0.990 563 Q CA 1.169 56.671 55.803 -0.501 0.000 0.841 563 Q CB -0.867 27.444 28.738 -0.713 0.000 0.941 563 Q HN 0.270 nan 8.270 nan 0.000 0.516 564 G N 1.535 109.566 108.800 -1.282 0.000 4.217 564 G HA2 -0.515 3.412 3.960 -0.054 0.000 0.366 564 G HA3 -0.515 3.412 3.960 -0.054 0.000 0.366 564 G C 1.157 175.867 174.900 -0.318 0.000 1.707 564 G CA 1.600 46.193 45.100 -0.845 0.000 1.697 564 G HN 0.477 nan 8.290 nan 0.000 0.855 565 N N 0.381 118.986 118.700 -0.158 0.000 2.142 565 N HA 0.068 4.775 4.740 -0.054 0.000 0.186 565 N C 1.014 176.569 175.510 0.075 0.000 1.023 565 N CA 0.710 53.754 53.050 -0.010 0.000 0.852 565 N CB -0.228 38.242 38.487 -0.029 0.000 0.998 565 N HN 0.808 nan 8.380 nan 0.000 0.424 566 H N 0.684 119.731 119.070 -0.039 0.000 3.199 566 H HA -0.165 4.359 4.556 -0.054 0.000 0.267 566 H C 1.329 176.731 175.328 0.124 0.000 0.848 566 H CA 0.024 56.096 56.048 0.040 0.000 1.426 566 H CB 0.286 30.076 29.762 0.046 0.000 1.350 566 H HN 0.292 nan 8.280 nan 0.000 0.527 567 A N 5.908 128.658 122.820 -0.117 0.000 1.916 567 A HA -0.331 3.956 4.320 -0.054 0.000 0.224 567 A C 1.760 179.463 177.584 0.200 0.000 1.366 567 A CA 2.275 54.314 52.037 0.003 0.000 0.692 567 A CB -0.343 18.593 19.000 -0.107 0.000 0.841 567 A HN 0.809 nan 8.150 nan 0.000 0.480 568 K N -1.558 119.089 120.400 0.412 0.000 2.911 568 K HA 0.318 4.606 4.320 -0.054 0.000 0.239 568 K C -0.823 175.988 176.600 0.352 0.000 1.090 568 K CA -0.051 56.450 56.287 0.357 0.000 1.225 568 K CB -0.450 32.254 32.500 0.341 0.000 1.087 568 K HN 0.454 nan 8.250 nan 0.000 0.464 569 F N 0.487 120.565 119.950 0.214 0.000 2.603 569 F HA 0.359 4.853 4.527 -0.054 0.000 0.317 569 F C -1.356 174.515 175.800 0.118 0.000 1.066 569 F CA -0.759 57.330 58.000 0.148 0.000 0.941 569 F CB 1.987 41.056 39.000 0.114 0.000 1.291 569 F HN -0.090 nan 8.300 nan 0.000 0.472 570 Q N 3.234 122.990 119.800 -0.074 0.000 2.313 570 Q HA 0.394 4.701 4.340 -0.054 0.000 0.255 570 Q C -0.967 175.078 176.000 0.075 0.000 0.944 570 Q CA -0.826 55.055 55.803 0.129 0.000 0.881 570 Q CB 1.938 30.689 28.738 0.021 0.000 1.375 570 Q HN 0.869 nan 8.270 nan 0.000 0.422 571 K N 1.133 121.716 120.400 0.306 0.000 2.319 571 K HA 0.363 4.651 4.320 -0.054 0.000 0.265 571 K C 0.213 176.880 176.600 0.112 0.000 1.000 571 K CA 0.041 56.484 56.287 0.260 0.000 0.943 571 K CB 1.113 33.736 32.500 0.205 0.000 0.950 571 K HN 0.518 nan 8.250 nan 0.000 0.485 579 T N -1.699 112.878 114.554 0.038 0.000 4.712 579 T HA -0.189 4.129 4.350 -0.054 0.000 0.304 579 T C -0.129 174.603 174.700 0.054 0.000 1.250 579 T CA 1.743 63.873 62.100 0.051 0.000 2.371 579 T CB -2.193 66.697 68.868 0.036 0.000 1.829 579 T HN 0.883 nan 8.240 nan 0.000 0.953 580 E N 0.328 120.557 120.200 0.049 0.000 2.248 580 E HA 0.725 5.042 4.350 -0.054 0.000 0.272 580 E C 0.093 176.766 176.600 0.121 0.000 1.008 580 E CA -0.749 55.653 56.400 0.004 0.000 0.856 580 E CB 0.898 30.576 29.700 -0.036 0.000 1.120 580 E HN 0.578 nan 8.360 nan 0.000 0.397 581 F N -1.511 118.395 119.950 -0.074 0.000 2.711 581 F HA 0.683 5.178 4.527 -0.055 0.000 0.313 581 F C -1.368 174.318 175.800 -0.191 0.000 1.141 581 F CA -1.175 56.726 58.000 -0.165 0.000 0.941 581 F CB 0.894 39.759 39.000 -0.224 0.000 1.349 581 F HN 0.321 nan 8.300 nan 0.000 0.464 582 C N 2.564 121.778 119.300 -0.143 0.000 2.498 582 C HA 0.788 5.216 4.460 -0.054 0.000 0.316 582 C C -0.736 174.158 174.990 -0.160 0.000 1.209 582 C CA -0.643 58.265 59.018 -0.184 0.000 1.518 582 C CB 1.168 28.821 27.740 -0.145 0.000 2.147 582 C HN 0.553 nan 8.230 nan 0.000 0.483 583 I N 3.156 123.696 120.570 -0.049 0.000 2.433 583 I HA 0.346 4.484 4.170 -0.054 0.000 0.292 583 I C -0.372 175.665 176.117 -0.134 0.000 1.001 583 I CA -0.531 60.734 61.300 -0.058 0.000 1.119 583 I CB 1.628 39.634 38.000 0.010 0.000 1.289 583 I HN 0.564 nan 8.210 nan 0.000 0.438 584 L N 6.159 127.343 121.223 -0.065 0.000 2.358 584 L HA 0.262 4.569 4.340 -0.054 0.000 0.274 584 L C 0.474 177.363 176.870 0.031 0.000 1.136 584 L CA -0.349 54.495 54.840 0.006 0.000 0.970 584 L CB -0.630 41.465 42.059 0.060 0.000 1.314 584 L HN 0.416 nan 8.230 nan 0.000 0.427 585 H N 1.484 120.680 119.070 0.210 0.000 2.615 585 H HA -0.025 4.498 4.556 -0.054 0.000 0.363 585 H C 0.788 176.138 175.328 0.037 0.000 1.148 585 H CA -0.017 56.180 56.048 0.248 0.000 1.401 585 H CB 1.069 31.086 29.762 0.425 0.000 1.461 585 H HN 0.567 nan 8.280 nan 0.000 0.588 586 Y N 0.973 121.344 120.300 0.118 0.000 2.139 586 Y HA -0.228 4.289 4.550 -0.054 0.000 0.282 586 Y C 2.037 177.850 175.900 -0.146 0.000 1.179 586 Y CA 1.311 59.408 58.100 -0.006 0.000 1.161 586 Y CB -0.944 37.512 38.460 -0.006 0.000 0.970 586 Y HN 0.520 nan 8.280 nan 0.000 0.511 587 A N 0.510 122.229 122.820 -1.836 0.000 2.167 587 A HA 0.487 4.774 4.320 -0.054 0.000 0.214 587 A C 1.398 178.524 177.584 -0.764 0.000 1.151 587 A CA 0.937 51.991 52.037 -1.639 0.000 0.735 587 A CB -1.058 16.306 19.000 -2.727 0.000 0.802 587 A HN 1.052 nan 8.150 nan 0.000 0.467 588 G N -1.362 107.214 108.800 -0.373 0.000 2.356 588 G HA2 0.304 4.231 3.960 -0.054 0.000 0.300 588 G HA3 0.304 4.231 3.960 -0.054 0.000 0.300 588 G C -1.121 173.867 174.900 0.145 0.000 1.331 588 G CA -0.613 44.469 45.100 -0.029 0.000 0.905 588 G HN 0.217 nan 8.290 nan 0.000 0.587 589 K N 0.426 120.876 120.400 0.083 0.000 2.267 589 K HA 0.576 4.863 4.320 -0.054 0.000 0.282 589 K C -0.367 176.233 176.600 -0.000 0.000 1.078 589 K CA -0.435 55.880 56.287 0.046 0.000 0.903 589 K CB 0.970 33.470 32.500 -0.000 0.000 1.111 589 K HN 0.352 nan 8.250 nan 0.000 0.475 590 V N 3.525 123.419 119.914 -0.033 0.000 2.398 590 V HA 0.183 4.271 4.120 -0.054 0.000 0.286 590 V C 0.265 176.048 176.094 -0.519 0.000 1.026 590 V CA -0.820 61.295 62.300 -0.308 0.000 0.868 590 V CB 1.390 32.959 31.823 -0.423 0.000 0.982 590 V HN 0.822 nan 8.190 nan 0.000 0.443 591 T N 4.624 118.896 114.554 -0.471 0.000 2.781 591 T HA 0.527 4.844 4.350 -0.054 0.000 0.305 591 T C -0.550 173.847 174.700 -0.506 0.000 1.001 591 T CA -0.274 61.577 62.100 -0.415 0.000 0.950 591 T CB -0.209 68.527 68.868 -0.221 0.000 0.955 591 T HN 0.350 nan 8.240 nan 0.000 0.471 592 Y N 3.609 123.646 120.300 -0.437 0.000 2.299 592 Y HA 0.358 4.876 4.550 -0.054 0.000 0.335 592 Y C 1.125 176.775 175.900 -0.417 0.000 1.287 592 Y CA -0.748 57.091 58.100 -0.435 0.000 1.424 592 Y CB 0.777 38.820 38.460 -0.694 0.000 1.326 592 Y HN 0.747 nan 8.280 nan 0.000 0.567 593 N N 0.076 118.773 118.700 -0.005 0.000 2.573 593 N HA 0.452 5.159 4.740 -0.054 0.000 0.262 593 N C -0.266 175.159 175.510 -0.143 0.000 1.029 593 N CA -0.156 52.867 53.050 -0.045 0.000 0.882 593 N CB 0.761 39.282 38.487 0.057 0.000 1.204 593 N HN 0.756 nan 8.380 nan 0.000 0.519 594 A N 1.990 124.516 122.820 -0.490 0.000 2.264 594 A HA 0.027 4.314 4.320 -0.054 0.000 0.207 594 A C 0.615 178.012 177.584 -0.311 0.000 1.196 594 A CA 0.200 51.603 52.037 -1.056 0.000 0.778 594 A CB -0.323 18.437 19.000 -0.400 0.000 0.779 594 A HN 0.554 nan 8.150 nan 0.000 0.483 595 S N -0.382 115.323 115.700 0.008 0.000 2.544 595 S HA 0.330 4.768 4.470 -0.054 0.000 0.290 595 S C 1.353 176.125 174.600 0.287 0.000 1.276 595 S CA 0.698 58.983 58.200 0.142 0.000 1.075 595 S CB 0.268 63.544 63.200 0.128 0.000 0.849 595 S HN 1.754 nan 8.310 nan 0.000 0.494 596 A N 2.825 125.773 122.820 0.215 0.000 3.413 596 A HA -0.194 4.094 4.320 -0.054 0.000 0.268 596 A C 1.225 178.948 177.584 0.230 0.000 1.128 596 A CA 1.449 53.612 52.037 0.210 0.000 1.062 596 A CB -2.500 16.624 19.000 0.208 0.000 1.121 596 A HN 0.863 nan 8.150 nan 0.000 0.895 597 W N -0.220 121.030 121.300 -0.085 0.000 2.321 597 W HA -0.083 4.545 4.660 -0.052 0.000 0.306 597 W C 2.204 178.495 176.519 -0.380 0.000 1.217 597 W CA 1.889 59.070 57.345 -0.274 0.000 1.257 597 W CB -0.835 28.413 29.460 -0.352 0.000 1.145 597 W HN 0.501 nan 8.180 nan 0.000 0.509 598 L N -0.308 120.894 121.223 -0.035 0.000 2.042 598 L HA -0.278 4.029 4.340 -0.054 0.000 0.210 598 L C 2.789 179.617 176.870 -0.069 0.000 1.076 598 L CA 2.184 56.967 54.840 -0.095 0.000 0.749 598 L CB -1.370 40.668 42.059 -0.035 0.000 0.893 598 L HN 0.126 nan 8.230 nan 0.000 0.432 599 T N -2.099 112.456 114.554 0.002 0.000 2.777 599 T HA -0.186 4.131 4.350 -0.054 0.000 0.266 599 T C 1.862 176.593 174.700 0.053 0.000 1.040 599 T CA 1.083 63.228 62.100 0.075 0.000 1.141 599 T CB -0.144 68.844 68.868 0.200 0.000 0.868 599 T HN 0.250 nan 8.240 nan 0.000 0.444 600 K N 0.855 121.240 120.400 -0.024 0.000 2.097 600 K HA -0.076 4.212 4.320 -0.054 0.000 0.206 600 K C 2.373 178.861 176.600 -0.187 0.000 1.049 600 K CA 1.625 57.858 56.287 -0.089 0.000 0.933 600 K CB -0.300 32.104 32.500 -0.160 0.000 0.717 600 K HN 0.381 nan 8.250 nan 0.000 0.442 601 N N 0.120 118.607 118.700 -0.354 0.000 2.354 601 N HA -0.067 4.641 4.740 -0.054 0.000 0.179 601 N C 1.495 176.942 175.510 -0.104 0.000 1.021 601 N CA 0.857 53.706 53.050 -0.335 0.000 0.887 601 N CB 0.205 38.412 38.487 -0.466 0.000 0.974 601 N HN -0.001 nan 8.380 nan 0.000 0.437 602 M N -0.170 119.396 119.600 -0.057 0.000 2.357 602 M HA 0.084 4.532 4.480 -0.054 0.000 0.266 602 M C 0.077 176.406 176.300 0.049 0.000 1.095 602 M CA 0.651 55.956 55.300 0.007 0.000 1.156 602 M CB -1.013 31.599 32.600 0.020 0.000 1.365 602 M HN 0.060 nan 8.290 nan 0.000 0.447 603 D N 1.584 122.025 120.400 0.069 0.000 2.828 603 D HA -0.091 4.516 4.640 -0.054 0.000 0.241 603 D C -2.227 174.150 176.300 0.127 0.000 1.142 603 D CA 0.124 54.181 54.000 0.095 0.000 0.755 603 D CB -0.434 40.411 40.800 0.075 0.000 1.014 603 D HN 0.190 nan 8.370 nan 0.000 0.420 604 P HA 0.305 nan 4.420 nan 0.000 0.282 604 P C -0.410 177.027 177.300 0.228 0.000 1.274 604 P CA -0.632 62.588 63.100 0.201 0.000 0.770 604 P CB 1.077 32.909 31.700 0.220 0.000 0.867 605 L N 3.258 124.585 121.223 0.174 0.000 2.331 605 L HA 0.410 4.717 4.340 -0.054 0.000 0.268 605 L C 0.677 177.626 176.870 0.131 0.000 1.015 605 L CA -0.746 54.193 54.840 0.165 0.000 0.807 605 L CB 0.984 43.156 42.059 0.187 0.000 1.293 605 L HN 0.335 nan 8.230 nan 0.000 0.451 606 N N -0.060 118.699 118.700 0.099 0.000 2.918 606 N HA 0.082 4.789 4.740 -0.054 0.000 0.247 606 N C 0.156 175.677 175.510 0.019 0.000 1.117 606 N CA -0.309 52.773 53.050 0.054 0.000 1.005 606 N CB 0.248 38.755 38.487 0.033 0.000 1.297 606 N HN 0.576 nan 8.380 nan 0.000 0.513 607 D N 0.989 121.408 120.400 0.032 0.000 2.286 607 D HA -0.345 4.262 4.640 -0.054 0.000 0.195 607 D C 0.936 177.230 176.300 -0.011 0.000 1.012 607 D CA 1.511 55.523 54.000 0.019 0.000 0.901 607 D CB -0.217 40.600 40.800 0.029 0.000 0.903 607 D HN 0.561 nan 8.370 nan 0.000 0.451 608 N N -0.120 118.570 118.700 -0.016 0.000 2.004 608 N HA -0.174 4.533 4.740 -0.054 0.000 0.196 608 N C 2.116 177.602 175.510 -0.039 0.000 1.064 608 N CA 1.701 54.735 53.050 -0.026 0.000 0.855 608 N CB -0.317 38.150 38.487 -0.033 0.000 1.056 608 N HN 0.167 nan 8.380 nan 0.000 0.423 609 V N 1.536 121.424 119.914 -0.042 0.000 2.392 609 V HA -0.231 3.857 4.120 -0.054 0.000 0.249 609 V C 2.033 178.038 176.094 -0.149 0.000 1.059 609 V CA 2.152 64.437 62.300 -0.024 0.000 1.051 609 V CB -0.948 30.902 31.823 0.046 0.000 0.658 609 V HN 0.330 nan 8.190 nan 0.000 0.455 610 T N -0.107 114.334 114.554 -0.188 0.000 2.653 610 T HA -0.241 4.076 4.350 -0.054 0.000 0.268 610 T C 2.066 176.621 174.700 -0.241 0.000 1.035 610 T CA 2.335 64.242 62.100 -0.321 0.000 1.154 610 T CB -0.505 68.299 68.868 -0.107 0.000 0.862 610 T HN 0.668 nan 8.240 nan 0.000 0.441 611 S N 0.213 115.849 115.700 -0.107 0.000 2.368 611 S HA 0.021 4.458 4.470 -0.054 0.000 0.224 611 S C 2.041 176.596 174.600 -0.074 0.000 1.029 611 S CA 0.757 58.922 58.200 -0.058 0.000 0.988 611 S CB -0.495 62.691 63.200 -0.023 0.000 0.838 611 S HN 0.416 nan 8.310 nan 0.000 0.462 612 L N 1.038 122.215 121.223 -0.078 0.000 2.021 612 L HA -0.209 4.099 4.340 -0.054 0.000 0.215 612 L C 2.395 179.205 176.870 -0.101 0.000 1.074 612 L CA 1.562 56.367 54.840 -0.059 0.000 0.760 612 L CB -0.697 41.352 42.059 -0.017 0.000 0.889 612 L HN 0.373 nan 8.230 nan 0.000 0.433 613 L N -0.602 120.491 121.223 -0.217 0.000 2.093 613 L HA -0.195 4.113 4.340 -0.054 0.000 0.208 613 L C 2.317 179.113 176.870 -0.123 0.000 1.085 613 L CA 1.251 55.923 54.840 -0.281 0.000 0.755 613 L CB -0.745 40.842 42.059 -0.786 0.000 0.904 613 L HN 0.357 nan 8.230 nan 0.000 0.435 614 N N 0.929 119.577 118.700 -0.087 0.000 2.184 614 N HA -0.241 4.466 4.740 -0.054 0.000 0.190 614 N C 0.730 176.259 175.510 0.032 0.000 1.011 614 N CA 1.399 54.476 53.050 0.045 0.000 0.867 614 N CB 0.040 38.553 38.487 0.044 0.000 0.993 614 N HN 0.429 nan 8.380 nan 0.000 0.433 615 Q N -0.251 119.548 119.800 -0.001 0.000 2.628 615 Q HA 0.265 4.572 4.340 -0.054 0.000 0.397 615 Q C -0.921 175.075 176.000 -0.007 0.000 0.916 615 Q CA -0.295 55.509 55.803 0.002 0.000 1.071 615 Q CB 1.079 29.817 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 -0.004 0.000 2.584 616 S HA 0.125 4.562 4.470 -0.054 0.000 0.273 616 S C 1.438 176.034 174.600 -0.007 0.000 1.311 616 S CA 0.067 58.259 58.200 -0.012 0.000 1.034 616 S CB 1.184 64.383 63.200 -0.002 0.000 0.939 616 S HN 0.541 nan 8.310 nan 0.000 0.513 617 S N 2.356 118.044 115.700 -0.021 0.000 2.440 617 S HA -0.120 4.317 4.470 -0.054 0.000 0.238 617 S C 0.456 175.047 174.600 -0.015 0.000 1.010 617 S CA 0.929 59.115 58.200 -0.022 0.000 0.972 617 S CB -0.418 62.759 63.200 -0.039 0.000 0.774 617 S HN 0.806 nan 8.310 nan 0.000 0.501 618 D N 1.203 121.598 120.400 -0.008 0.000 2.280 618 D HA 0.470 5.078 4.640 -0.054 0.000 0.243 618 D C 1.144 177.469 176.300 0.042 0.000 1.129 618 D CA 0.354 54.361 54.000 0.012 0.000 0.848 618 D CB 1.755 42.564 40.800 0.014 0.000 1.107 618 D HN 0.337 nan 8.370 nan 0.000 0.471 619 K N 3.865 124.293 120.400 0.047 0.000 2.002 619 K HA -0.203 4.084 4.320 -0.054 0.000 0.209 619 K C 1.967 178.606 176.600 0.064 0.000 1.048 619 K CA 1.338 57.656 56.287 0.051 0.000 0.930 619 K CB -1.238 31.291 32.500 0.049 0.000 0.714 619 K HN 0.562 nan 8.250 nan 0.000 0.438 620 F N 1.331 121.233 119.950 -0.081 0.000 2.091 620 F HA -0.224 4.272 4.527 -0.053 0.000 0.299 620 F C 2.296 178.019 175.800 -0.128 0.000 1.103 620 F CA 1.939 59.838 58.000 -0.168 0.000 1.228 620 F CB -0.222 38.624 39.000 -0.256 0.000 0.984 620 F HN 0.000 nan 8.300 nan 0.000 0.477 621 V N 0.431 120.445 119.914 0.167 0.000 2.255 621 V HA -0.366 3.721 4.120 -0.054 0.000 0.247 621 V C 2.725 178.927 176.094 0.179 0.000 1.051 621 V CA 1.972 64.383 62.300 0.185 0.000 1.018 621 V CB -1.740 30.180 31.823 0.162 0.000 0.641 621 V HN 0.483 nan 8.190 nan 0.000 0.445 622 A N -0.149 122.733 122.820 0.105 0.000 1.917 622 A HA -0.361 3.927 4.320 -0.054 0.000 0.219 622 A C 1.967 179.586 177.584 0.058 0.000 1.182 622 A CA 2.592 54.686 52.037 0.095 0.000 0.633 622 A CB -0.892 18.137 19.000 0.049 0.000 0.819 622 A HN 0.611 nan 8.150 nan 0.000 0.448 623 D N -0.331 120.040 120.400 -0.049 0.000 2.087 623 D HA -0.140 4.467 4.640 -0.054 0.000 0.192 623 D C 1.916 178.124 176.300 -0.152 0.000 0.993 623 D CA 1.436 55.368 54.000 -0.112 0.000 0.828 623 D CB -0.209 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 -0.863 120.166 121.223 -0.324 0.000 2.103 624 L HA -0.197 4.110 4.340 -0.054 0.000 0.215 624 L C 0.909 177.541 176.870 -0.398 0.000 1.080 624 L CA 1.196 55.782 54.840 -0.423 0.000 0.764 624 L CB -0.420 41.350 42.059 -0.482 0.000 0.890 624 L HN 0.318 nan 8.230 nan 0.000 0.435 625 W N 0.126 121.377 121.300 -0.081 0.000 2.817 625 W HA 0.265 4.893 4.660 -0.055 0.000 0.433 625 W C 0.957 177.459 176.519 -0.028 0.000 0.838 625 W CA -0.351 56.972 57.345 -0.036 0.000 2.356 625 W CB -0.496 28.955 29.460 -0.015 0.000 1.216 625 W HN -0.149 nan 8.180 nan 0.000 0.793 658 T N -0.032 114.556 114.554 0.057 0.000 2.860 658 T HA 0.434 4.751 4.350 -0.054 0.000 0.299 658 T C 1.600 176.353 174.700 0.088 0.000 1.045 658 T CA 0.155 62.287 62.100 0.053 0.000 1.071 658 T CB 1.460 70.347 68.868 0.032 0.000 0.985 658 T HN 0.630 nan 8.240 nan 0.000 0.537 659 V N 3.015 122.984 119.914 0.093 0.000 2.252 659 V HA -0.144 3.944 4.120 -0.054 0.000 0.249 659 V C 2.977 179.215 176.094 0.240 0.000 1.056 659 V CA 2.478 64.874 62.300 0.159 0.000 1.022 659 V CB -1.826 30.106 31.823 0.182 0.000 0.641 659 V HN 1.140 nan 8.190 nan 0.000 0.445 660 G N -1.255 107.713 108.800 0.280 0.000 2.529 660 G HA2 -0.371 3.556 3.960 -0.054 0.000 0.219 660 G HA3 -0.371 3.556 3.960 -0.054 0.000 0.219 660 G C 1.498 176.555 174.900 0.262 0.000 1.177 660 G CA 1.316 46.625 45.100 0.347 0.000 0.773 660 G HN 0.553 nan 8.290 nan 0.000 0.573 661 Q N -0.317 119.590 119.800 0.178 0.000 2.045 661 Q HA -0.079 4.229 4.340 -0.054 0.000 0.206 661 Q C 2.713 178.799 176.000 0.144 0.000 0.991 661 Q CA 1.475 57.361 55.803 0.138 0.000 0.851 661 Q CB -0.321 28.476 28.738 0.098 0.000 0.911 661 Q HN 0.501 nan 8.270 nan 0.000 0.418 662 L N -0.915 120.401 121.223 0.156 0.000 2.042 662 L HA -0.246 4.062 4.340 -0.054 0.000 0.210 662 L C 2.274 179.266 176.870 0.204 0.000 1.076 662 L CA 1.369 56.301 54.840 0.153 0.000 0.749 662 L CB -0.591 41.556 42.059 0.148 0.000 0.893 662 L HN 0.287 nan 8.230 nan 0.000 0.432 663 Y N 0.901 121.276 120.300 0.124 0.000 2.114 663 Y HA -0.280 4.236 4.550 -0.055 0.000 0.284 663 Y C 2.585 178.566 175.900 0.135 0.000 1.143 663 Y CA 1.560 59.743 58.100 0.138 0.000 1.135 663 Y CB -0.323 38.218 38.460 0.136 0.000 0.980 663 Y HN -0.037 nan 8.280 nan 0.000 0.499 664 K N 0.064 120.509 120.400 0.074 0.000 2.052 664 K HA -0.316 3.971 4.320 -0.054 0.000 0.215 664 K C 2.420 178.978 176.600 -0.070 0.000 1.053 664 K CA 2.811 59.100 56.287 0.003 0.000 0.934 664 K CB -0.562 31.998 32.500 0.100 0.000 0.717 664 K HN 0.527 nan 8.250 nan 0.000 0.450 665 E N 0.968 121.164 120.200 -0.006 0.000 2.021 665 E HA -0.318 3.999 4.350 -0.054 0.000 0.200 665 E C 1.937 178.517 176.600 -0.034 0.000 1.015 665 E CA 1.872 58.270 56.400 -0.004 0.000 0.824 665 E CB -0.844 28.875 29.700 0.033 0.000 0.762 665 E HN 0.528 nan 8.360 nan 0.000 0.454 666 Q N -1.053 118.741 119.800 -0.011 0.000 2.077 666 Q HA -0.163 4.144 4.340 -0.054 0.000 0.206 666 Q C 2.397 178.354 176.000 -0.072 0.000 0.989 666 Q CA 1.682 57.518 55.803 0.055 0.000 0.853 666 Q CB -0.250 28.622 28.738 0.224 0.000 0.907 666 Q HN 0.481 nan 8.270 nan 0.000 0.418 667 L N 0.389 121.390 121.223 -0.369 0.000 2.017 667 L HA -0.192 4.115 4.340 -0.054 0.000 0.208 667 L C 2.600 179.295 176.870 -0.292 0.000 1.073 667 L CA 2.593 57.125 54.840 -0.513 0.000 0.745 667 L CB -1.215 40.399 42.059 -0.743 0.000 0.894 667 L HN 0.416 nan 8.230 nan 0.000 0.432 668 T N -3.342 111.098 114.554 -0.189 0.000 2.746 668 T HA -0.250 4.068 4.350 -0.054 0.000 0.267 668 T C 1.962 176.606 174.700 -0.095 0.000 1.039 668 T CA 1.600 63.631 62.100 -0.115 0.000 1.142 668 T CB -0.431 68.400 68.868 -0.062 0.000 0.866 668 T HN 0.256 nan 8.240 nan 0.000 0.444 669 K N 0.647 121.005 120.400 -0.070 0.000 2.103 669 K HA 0.069 4.357 4.320 -0.054 0.000 0.207 669 K C 2.093 178.651 176.600 -0.071 0.000 1.048 669 K CA 1.186 57.448 56.287 -0.041 0.000 0.930 669 K CB -0.441 32.058 32.500 -0.000 0.000 0.716 669 K HN 0.264 nan 8.250 nan 0.000 0.444 670 L N 0.369 121.519 121.223 -0.121 0.000 1.973 670 L HA -0.132 4.176 4.340 -0.054 0.000 0.208 670 L C 1.908 178.631 176.870 -0.245 0.000 1.073 670 L CA 1.715 56.419 54.840 -0.228 0.000 0.746 670 L CB -0.473 41.376 42.059 -0.349 0.000 0.891 670 L HN 0.113 nan 8.230 nan 0.000 0.433 671 M N -0.500 118.967 119.600 -0.222 0.000 2.116 671 M HA -0.255 4.192 4.480 -0.054 0.000 0.255 671 M C 2.228 178.458 176.300 -0.116 0.000 1.075 671 M CA 2.350 57.548 55.300 -0.171 0.000 1.087 671 M CB -2.133 30.379 32.600 -0.147 0.000 1.340 671 M HN 0.364 nan 8.290 nan 0.000 0.402 672 T N 0.605 115.104 114.554 -0.091 0.000 2.674 672 T HA -0.128 4.189 4.350 -0.054 0.000 0.265 672 T C 1.790 176.476 174.700 -0.023 0.000 1.039 672 T CA 2.258 64.330 62.100 -0.047 0.000 1.150 672 T CB -0.459 68.390 68.868 -0.031 0.000 0.864 672 T HN 0.471 nan 8.240 nan 0.000 0.427 673 T N 2.963 117.495 114.554 -0.037 0.000 2.665 673 T HA -0.079 4.239 4.350 -0.054 0.000 0.268 673 T C 2.002 176.739 174.700 0.062 0.000 1.035 673 T CA 1.133 63.247 62.100 0.024 0.000 1.151 673 T CB -0.660 68.185 68.868 -0.038 0.000 0.862 673 T HN 0.260 nan 8.240 nan 0.000 0.438 674 L N 0.051 121.238 121.223 -0.059 0.000 2.083 674 L HA -0.090 4.218 4.340 -0.054 0.000 0.209 674 L C 2.924 179.798 176.870 0.007 0.000 1.083 674 L CA 1.263 56.077 54.840 -0.042 0.000 0.752 674 L CB -0.475 41.499 42.059 -0.142 0.000 0.899 674 L HN 0.106 nan 8.230 nan 0.000 0.433 675 R N 0.396 120.894 120.500 -0.003 0.000 2.159 675 R HA -0.087 4.221 4.340 -0.054 0.000 0.237 675 R C 1.206 177.527 176.300 0.035 0.000 1.131 675 R CA 0.943 57.052 56.100 0.015 0.000 0.982 675 R CB -0.158 30.140 30.300 -0.002 0.000 0.868 675 R HN 0.362 nan 8.270 nan 0.000 0.453 676 N N 0.117 118.850 118.700 0.055 0.000 2.327 676 N HA 0.006 4.714 4.740 -0.054 0.000 0.231 676 N C -0.570 174.977 175.510 0.062 0.000 1.130 676 N CA 0.429 53.519 53.050 0.067 0.000 0.845 676 N CB 0.970 39.513 38.487 0.093 0.000 1.073 676 N HN 0.245 nan 8.380 nan 0.000 0.496 677 T N -2.625 111.952 114.554 0.037 0.000 2.900 677 T HA 0.256 4.574 4.350 -0.054 0.000 0.303 677 T C -0.686 173.997 174.700 -0.028 0.000 1.142 677 T CA -0.949 61.137 62.100 -0.025 0.000 1.007 677 T CB 2.029 70.891 68.868 -0.010 0.000 1.156 677 T HN -0.123 nan 8.240 nan 0.000 0.490 678 N N 3.577 122.241 118.700 -0.060 0.000 2.405 678 N HA 0.350 5.058 4.740 -0.054 0.000 0.260 678 N C -2.361 173.128 175.510 -0.035 0.000 1.152 678 N CA -1.683 51.344 53.050 -0.038 0.000 0.948 678 N CB 0.575 39.032 38.487 -0.050 0.000 1.111 678 N HN 0.447 nan 8.380 nan 0.000 0.485 679 P HA 0.201 nan 4.420 nan 0.000 0.278 679 P C -1.224 176.050 177.300 -0.043 0.000 1.238 679 P CA -0.270 62.770 63.100 -0.100 0.000 0.794 679 P CB 0.881 32.510 31.700 -0.118 0.000 0.955 680 N N 2.363 120.984 118.700 -0.133 0.000 2.577 680 N HA 0.237 4.944 4.740 -0.054 0.000 0.275 680 N C -0.991 174.505 175.510 -0.023 0.000 1.091 680 N CA -0.252 52.816 53.050 0.029 0.000 0.843 680 N CB 0.720 39.230 38.487 0.039 0.000 1.295 680 N HN 0.270 nan 8.380 nan 0.000 0.530 681 F N 0.881 120.930 119.950 0.165 0.000 2.396 681 F HA 0.311 4.806 4.527 -0.053 0.000 0.343 681 F C 0.814 176.732 175.800 0.197 0.000 1.104 681 F CA -0.512 57.589 58.000 0.168 0.000 1.161 681 F CB 1.097 40.220 39.000 0.205 0.000 1.146 681 F HN 0.008 nan 8.300 nan 0.000 0.522 682 V N 5.014 125.095 119.914 0.279 0.000 2.407 682 V HA 0.421 4.509 4.120 -0.054 0.000 0.291 682 V C -0.461 175.740 176.094 0.177 0.000 1.018 682 V CA -1.005 61.436 62.300 0.235 0.000 0.842 682 V CB 1.397 33.325 31.823 0.174 0.000 0.996 682 V HN 0.530 nan 8.190 nan 0.000 0.426 683 R N 3.287 123.890 120.500 0.171 0.000 2.204 683 R HA 0.390 4.697 4.340 -0.054 0.000 0.341 683 R C -0.726 175.582 176.300 0.014 0.000 1.035 683 R CA -0.342 55.793 56.100 0.059 0.000 0.887 683 R CB 0.594 30.911 30.300 0.028 0.000 1.114 683 R HN 0.593 nan 8.270 nan 0.000 0.473 684 C N 4.738 124.030 119.300 -0.013 0.000 2.373 684 C HA 0.427 4.855 4.460 -0.054 0.000 0.354 684 C C 0.767 175.706 174.990 -0.084 0.000 1.249 684 C CA -0.865 58.117 59.018 -0.059 0.000 1.784 684 C CB -0.512 27.199 27.740 -0.049 0.000 2.408 684 C HN 0.569 nan 8.230 nan 0.000 0.542 685 I N 3.951 124.443 120.570 -0.130 0.000 2.392 685 I HA 0.409 4.547 4.170 -0.054 0.000 0.295 685 I C 0.194 176.203 176.117 -0.181 0.000 0.985 685 I CA -0.979 60.233 61.300 -0.147 0.000 1.221 685 I CB 1.194 39.083 38.000 -0.185 0.000 1.366 685 I HN 0.604 nan 8.210 nan 0.000 0.467 686 I N 8.594 129.082 120.570 -0.136 0.000 2.331 686 I HA 0.300 4.437 4.170 -0.054 0.000 0.292 686 I C -1.393 174.633 176.117 -0.152 0.000 0.998 686 I CA -1.803 59.425 61.300 -0.121 0.000 1.267 686 I CB 1.926 39.930 38.000 0.006 0.000 1.386 686 I HN 0.362 nan 8.210 nan 0.000 0.476 687 P HA -0.032 nan 4.420 nan 0.000 0.217 687 P C -0.810 176.439 177.300 -0.084 0.000 1.154 687 P CA 1.101 64.091 63.100 -0.183 0.000 0.841 687 P CB -0.059 31.535 31.700 -0.177 0.000 0.788 688 N N -2.628 116.087 118.700 0.025 0.000 2.972 688 N HA 0.163 4.871 4.740 -0.054 0.000 0.262 688 N C -0.274 175.277 175.510 0.068 0.000 1.478 688 N CA -0.831 52.212 53.050 -0.011 0.000 0.841 688 N CB -0.075 38.460 38.487 0.081 0.000 1.512 688 N HN -0.161 nan 8.380 nan 0.000 0.548 689 H N -1.936 117.181 119.070 0.079 0.000 2.542 689 H HA 0.298 4.822 4.556 -0.054 0.000 0.283 689 H C -0.428 174.918 175.328 0.029 0.000 1.059 689 H CA -0.051 56.034 56.048 0.063 0.000 1.162 689 H CB 0.695 30.482 29.762 0.040 0.000 1.539 689 H HN 0.559 nan 8.280 nan 0.000 0.543 690 E N 0.759 121.029 120.200 0.117 0.000 2.496 690 E HA 0.071 4.388 4.350 -0.054 0.000 0.200 690 E C -0.011 176.524 176.600 -0.109 0.000 1.016 690 E CA -0.114 56.297 56.400 0.018 0.000 0.962 690 E CB 0.307 30.020 29.700 0.021 0.000 1.071 690 E HN 0.179 nan 8.360 nan 0.000 0.457 691 K N 0.426 120.699 120.400 -0.211 0.000 2.948 691 K HA -0.301 3.986 4.320 -0.054 0.000 0.253 691 K C 0.101 176.230 176.600 -0.785 0.000 0.970 691 K CA 0.502 56.315 56.287 -0.789 0.000 0.716 691 K CB -1.209 31.006 32.500 -0.475 0.000 1.249 691 K HN 0.162 nan 8.250 nan 0.000 0.483 692 R N 0.388 120.689 120.500 -0.331 0.000 2.368 692 R HA 0.475 4.783 4.340 -0.054 0.000 0.302 692 R C -0.373 176.009 176.300 0.137 0.000 1.002 692 R CA -0.047 56.003 56.100 -0.083 0.000 0.929 692 R CB 1.096 31.405 30.300 0.014 0.000 1.073 692 R HN 0.246 nan 8.270 nan 0.000 0.464 693 A N 1.871 124.775 122.820 0.141 0.000 2.309 693 A HA 0.512 4.799 4.320 -0.054 0.000 0.298 693 A C 0.871 178.562 177.584 0.178 0.000 1.165 693 A CA 0.249 52.419 52.037 0.220 0.000 0.821 693 A CB 0.839 19.933 19.000 0.157 0.000 1.102 693 A HN 0.984 nan 8.150 nan 0.000 0.500 694 G N 0.783 109.698 108.800 0.191 0.000 2.143 694 G HA2 -0.227 3.700 3.960 -0.054 0.000 0.249 694 G HA3 -0.227 3.700 3.960 -0.054 0.000 0.249 694 G C 0.225 175.384 174.900 0.433 0.000 0.981 694 G CA 0.761 46.017 45.100 0.260 0.000 0.665 694 G HN 0.934 nan 8.290 nan 0.000 0.528 695 K N 0.405 121.021 120.400 0.361 0.000 2.473 695 K HA 0.595 4.882 4.320 -0.054 0.000 0.246 695 K C -0.337 176.432 176.600 0.282 0.000 1.011 695 K CA -0.870 55.605 56.287 0.314 0.000 0.984 695 K CB 0.371 32.986 32.500 0.190 0.000 1.250 695 K HN 0.183 nan 8.250 nan 0.000 0.454 696 L N 4.322 125.752 121.223 0.344 0.000 2.268 696 L HA 0.200 4.508 4.340 -0.054 0.000 0.289 696 L C -0.284 176.644 176.870 0.097 0.000 1.064 696 L CA -0.407 54.496 54.840 0.106 0.000 0.824 696 L CB 0.705 42.754 42.059 -0.016 0.000 1.202 696 L HN 0.604 nan 8.230 nan 0.000 0.433 697 D N 4.509 124.914 120.400 0.009 0.000 2.455 697 D HA 0.104 4.712 4.640 -0.054 0.000 0.234 697 D C 1.155 177.442 176.300 -0.021 0.000 1.224 697 D CA 0.403 54.404 54.000 0.002 0.000 0.999 697 D CB 1.459 42.224 40.800 -0.058 0.000 1.072 697 D HN 0.701 nan 8.370 nan 0.000 0.514 698 A N 3.929 126.755 122.820 0.009 0.000 1.969 698 A HA -0.303 3.985 4.320 -0.054 0.000 0.223 698 A C 1.680 179.161 177.584 -0.172 0.000 1.218 698 A CA 1.920 53.918 52.037 -0.065 0.000 0.667 698 A CB -0.730 18.240 19.000 -0.049 0.000 0.826 698 A HN 0.745 nan 8.150 nan 0.000 0.472 699 H N -2.126 116.915 119.070 -0.048 0.000 2.448 699 H HA 0.092 4.616 4.556 -0.054 0.000 0.292 699 H C 1.849 177.134 175.328 -0.071 0.000 1.035 699 H CA 1.102 57.114 56.048 -0.061 0.000 1.349 699 H CB -0.037 29.683 29.762 -0.070 0.000 1.425 699 H HN 0.425 nan 8.280 nan 0.000 0.539 700 L N 0.228 121.452 121.223 0.001 0.000 2.093 700 L HA -0.095 4.212 4.340 -0.054 0.000 0.208 700 L C 1.830 178.645 176.870 -0.092 0.000 1.085 700 L CA 1.164 55.952 54.840 -0.086 0.000 0.755 700 L CB -0.477 41.442 42.059 -0.233 0.000 0.904 700 L HN 0.087 nan 8.230 nan 0.000 0.435 701 V N -0.588 119.264 119.914 -0.102 0.000 2.323 701 V HA -0.252 3.835 4.120 -0.054 0.000 0.244 701 V C 2.573 178.620 176.094 -0.079 0.000 1.041 701 V CA 1.827 64.057 62.300 -0.116 0.000 1.025 701 V CB -0.396 31.338 31.823 -0.148 0.000 0.656 701 V HN 0.417 nan 8.190 nan 0.000 0.451 702 L N 0.278 121.462 121.223 -0.066 0.000 2.012 702 L HA -0.232 4.075 4.340 -0.054 0.000 0.210 702 L C 2.985 179.852 176.870 -0.006 0.000 1.073 702 L CA 2.363 57.186 54.840 -0.028 0.000 0.748 702 L CB -0.804 41.232 42.059 -0.038 0.000 0.891 702 L HN 0.545 nan 8.230 nan 0.000 0.431 703 E N -0.406 119.792 120.200 -0.004 0.000 2.085 703 E HA -0.309 4.008 4.350 -0.054 0.000 0.194 703 E C 1.962 178.544 176.600 -0.030 0.000 0.994 703 E CA 1.747 58.144 56.400 -0.005 0.000 0.801 703 E CB -0.742 28.955 29.700 -0.004 0.000 0.743 703 E HN 0.680 nan 8.360 nan 0.000 0.453 704 Q N -0.414 119.357 119.800 -0.047 0.000 2.050 704 Q HA 0.017 4.324 4.340 -0.054 0.000 0.202 704 Q C 2.563 178.536 176.000 -0.044 0.000 0.980 704 Q CA 1.366 57.133 55.803 -0.060 0.000 0.840 704 Q CB -0.227 28.468 28.738 -0.071 0.000 0.898 704 Q HN 0.545 nan 8.270 nan 0.000 0.424 705 L N 0.405 121.608 121.223 -0.034 0.000 2.187 705 L HA -0.219 4.089 4.340 -0.054 0.000 0.213 705 L C 2.490 179.367 176.870 0.012 0.000 1.100 705 L CA 1.110 55.944 54.840 -0.011 0.000 0.765 705 L CB -0.454 41.601 42.059 -0.006 0.000 0.904 705 L HN 0.237 nan 8.230 nan 0.000 0.437 706 R N 0.132 120.640 120.500 0.014 0.000 2.055 706 R HA -0.129 4.178 4.340 -0.054 0.000 0.228 706 R C 2.429 178.755 176.300 0.044 0.000 1.143 706 R CA 1.839 57.959 56.100 0.035 0.000 0.945 706 R CB -0.808 29.513 30.300 0.034 0.000 0.841 706 R HN 0.550 nan 8.270 nan 0.000 0.429 707 C N 0.011 119.330 119.300 0.032 0.000 2.491 707 C HA 0.137 4.565 4.460 -0.054 0.000 0.277 707 C C 1.530 176.580 174.990 0.099 0.000 1.455 707 C CA -0.156 58.919 59.018 0.096 0.000 1.758 707 C CB -1.394 26.384 27.740 0.062 0.000 1.745 707 C HN 0.385 nan 8.230 nan 0.000 0.558 708 N N 0.906 119.594 118.700 -0.020 0.000 2.353 708 N HA 0.198 4.906 4.740 -0.054 0.000 0.185 708 N C 1.541 176.878 175.510 -0.289 0.000 1.098 708 N CA 0.652 53.574 53.050 -0.214 0.000 0.872 708 N CB 0.055 38.395 38.487 -0.244 0.000 0.970 708 N HN 0.720 nan 8.380 nan 0.000 0.467 709 G N 1.204 110.005 108.800 0.001 0.000 2.168 709 G HA2 -0.287 3.640 3.960 -0.054 0.000 0.257 709 G HA3 -0.287 3.640 3.960 -0.054 0.000 0.257 709 G C 0.993 176.045 174.900 0.253 0.000 0.997 709 G CA 0.489 45.718 45.100 0.214 0.000 0.708 709 G HN 0.181 nan 8.290 nan 0.000 0.520 710 V N -0.001 119.988 119.914 0.125 0.000 2.317 710 V HA -0.273 3.815 4.120 -0.054 0.000 0.251 710 V C 2.892 179.232 176.094 0.409 0.000 1.065 710 V CA 2.580 65.088 62.300 0.346 0.000 1.049 710 V CB -0.477 31.496 31.823 0.250 0.000 0.651 710 V HN 0.516 nan 8.190 nan 0.000 0.450 711 L N -0.749 120.615 121.223 0.234 0.000 2.072 711 L HA -0.157 4.151 4.340 -0.054 0.000 0.205 711 L C 2.555 179.555 176.870 0.216 0.000 1.079 711 L CA 1.429 56.378 54.840 0.181 0.000 0.752 711 L CB -0.338 41.783 42.059 0.104 0.000 0.906 711 L HN 0.323 nan 8.230 nan 0.000 0.436 712 E N -0.317 120.021 120.200 0.229 0.000 2.150 712 E HA -0.128 4.190 4.350 -0.054 0.000 0.193 712 E C 2.094 178.865 176.600 0.287 0.000 0.985 712 E CA 1.030 57.525 56.400 0.158 0.000 0.814 712 E CB -0.362 29.288 29.700 -0.084 0.000 0.752 712 E HN 0.444 nan 8.360 nan 0.000 0.466 713 G N 0.190 109.305 108.800 0.524 0.000 2.484 713 G HA2 -0.150 3.777 3.960 -0.054 0.000 0.218 713 G HA3 -0.150 3.777 3.960 -0.054 0.000 0.218 713 G C 1.467 176.662 174.900 0.491 0.000 1.130 713 G CA 0.389 45.821 45.100 0.553 0.000 0.784 713 G HN 0.192 nan 8.290 nan 0.000 0.543 714 I N -0.553 120.223 120.570 0.343 0.000 2.867 714 I HA 0.058 4.195 4.170 -0.054 0.000 0.265 714 I C 2.746 178.943 176.117 0.132 0.000 1.162 714 I CA -0.042 61.349 61.300 0.153 0.000 1.471 714 I CB -0.021 38.029 38.000 0.083 0.000 1.123 714 I HN -0.037 nan 8.210 nan 0.000 0.440 715 R N 0.805 121.408 120.500 0.172 0.000 2.070 715 R HA -0.146 4.162 4.340 -0.054 0.000 0.232 715 R C 2.288 178.733 176.300 0.241 0.000 1.138 715 R CA 1.374 57.601 56.100 0.212 0.000 0.936 715 R CB -0.916 29.584 30.300 0.333 0.000 0.839 715 R HN 0.238 nan 8.270 nan 0.000 0.429 716 I N 1.062 121.736 120.570 0.174 0.000 2.335 716 I HA -0.252 3.886 4.170 -0.054 0.000 0.251 716 I C 1.900 178.096 176.117 0.132 0.000 1.129 716 I CA 1.041 62.444 61.300 0.171 0.000 1.402 716 I CB -0.319 37.552 38.000 -0.216 0.000 1.069 716 I HN 0.124 nan 8.210 nan 0.000 0.424 717 C N 0.003 119.358 119.300 0.090 0.000 2.456 717 C HA -0.012 4.416 4.460 -0.054 0.000 0.279 717 C C 2.707 177.727 174.990 0.051 0.000 1.427 717 C CA 0.547 59.605 59.018 0.067 0.000 1.778 717 C CB -1.438 26.334 27.740 0.053 0.000 1.842 717 C HN 0.466 nan 8.230 nan 0.000 0.531 718 R N -0.350 120.188 120.500 0.064 0.000 2.072 718 R HA 0.020 4.328 4.340 -0.054 0.000 0.214 718 R C 2.189 178.488 176.300 -0.002 0.000 1.168 718 R CA 0.609 56.727 56.100 0.029 0.000 1.020 718 R CB -0.360 29.966 30.300 0.044 0.000 0.914 718 R HN 0.356 nan 8.270 nan 0.000 0.449 719 Q N 0.025 119.880 119.800 0.092 0.000 2.364 719 Q HA -0.017 4.291 4.340 -0.054 0.000 0.209 719 Q C 0.777 176.871 176.000 0.156 0.000 0.977 719 Q CA 1.269 57.153 55.803 0.135 0.000 0.885 719 Q CB 0.228 29.127 28.738 0.269 0.000 0.941 719 Q HN 0.342 nan 8.270 nan 0.000 0.464 720 G N -1.406 107.398 108.800 0.007 0.000 3.008 720 G HA2 0.511 4.438 3.960 -0.054 0.000 0.181 720 G HA3 0.511 4.438 3.960 -0.054 0.000 0.181 720 G C -1.155 173.338 174.900 -0.679 0.000 1.309 720 G CA -0.731 44.171 45.100 -0.331 0.000 1.009 720 G HN 0.114 nan 8.290 nan 0.000 0.584 721 F N 1.102 121.059 119.950 0.012 0.000 2.676 721 F HA 0.362 4.857 4.527 -0.054 0.000 0.371 721 F C -1.536 174.442 175.800 0.296 0.000 1.141 721 F CA -1.952 56.135 58.000 0.145 0.000 1.133 721 F CB 2.183 41.240 39.000 0.095 0.000 1.376 721 F HN 0.178 nan 8.300 nan 0.000 0.491 722 P HA -0.134 nan 4.420 nan 0.000 0.214 722 P C -0.188 177.237 177.300 0.208 0.000 1.163 722 P CA 1.309 64.537 63.100 0.214 0.000 0.883 722 P CB 0.243 32.021 31.700 0.130 0.000 0.788 723 N N 1.550 120.387 118.700 0.228 0.000 2.467 723 N HA 0.210 4.917 4.740 -0.054 0.000 0.262 723 N C 0.524 176.149 175.510 0.192 0.000 1.234 723 N CA 0.048 53.215 53.050 0.195 0.000 0.952 723 N CB 0.409 39.028 38.487 0.220 0.000 1.158 723 N HN 0.285 nan 8.380 nan 0.000 0.463 724 R N -0.471 120.063 120.500 0.056 0.000 2.937 724 R HA 0.383 4.690 4.340 -0.054 0.000 0.273 724 R C -1.255 174.954 176.300 -0.150 0.000 1.176 724 R CA -0.633 55.345 56.100 -0.204 0.000 1.132 724 R CB -0.245 29.607 30.300 -0.747 0.000 1.270 724 R HN 0.657 nan 8.270 nan 0.000 0.425 725 I N 0.080 120.635 120.570 -0.026 0.000 2.740 725 I HA 0.685 4.822 4.170 -0.054 0.000 0.303 725 I C 0.382 176.431 176.117 -0.113 0.000 1.044 725 I CA -1.468 59.831 61.300 -0.002 0.000 1.064 725 I CB 2.234 40.347 38.000 0.187 0.000 1.249 725 I HN 0.458 nan 8.210 nan 0.000 0.433 726 V N 1.965 121.797 119.914 -0.137 0.000 2.715 726 V HA 0.191 4.278 4.120 -0.054 0.000 0.299 726 V C 1.099 177.150 176.094 -0.072 0.000 1.054 726 V CA -0.043 62.100 62.300 -0.262 0.000 1.077 726 V CB 0.317 32.030 31.823 -0.182 0.000 0.972 726 V HN 0.823 nan 8.190 nan 0.000 0.484 727 F N 1.312 121.289 119.950 0.045 0.000 2.037 727 F HA -0.265 4.230 4.527 -0.054 0.000 0.296 727 F C 2.639 178.510 175.800 0.117 0.000 1.132 727 F CA 2.595 60.642 58.000 0.078 0.000 1.211 727 F CB -1.294 37.721 39.000 0.024 0.000 0.951 727 F HN 0.734 nan 8.300 nan 0.000 0.503 728 Q N -0.146 119.804 119.800 0.251 0.000 2.082 728 Q HA -0.294 4.014 4.340 -0.054 0.000 0.211 728 Q C 2.362 178.424 176.000 0.103 0.000 1.002 728 Q CA 2.220 58.108 55.803 0.141 0.000 0.868 728 Q CB -0.375 28.416 28.738 0.087 0.000 0.931 728 Q HN 0.543 nan 8.270 nan 0.000 0.414 729 E N -0.710 119.540 120.200 0.084 0.000 2.085 729 E HA -0.215 4.102 4.350 -0.054 0.000 0.194 729 E C 1.784 178.416 176.600 0.052 0.000 0.994 729 E CA 1.224 57.645 56.400 0.034 0.000 0.801 729 E CB -0.210 29.504 29.700 0.024 0.000 0.743 729 E HN 0.368 nan 8.360 nan 0.000 0.453 730 F N 1.564 121.558 119.950 0.073 0.000 2.134 730 F HA -0.196 4.298 4.527 -0.054 0.000 0.299 730 F C 2.473 178.352 175.800 0.131 0.000 1.097 730 F CA 1.392 59.504 58.000 0.186 0.000 1.264 730 F CB -0.115 39.061 39.000 0.293 0.000 1.001 730 F HN -0.118 nan 8.300 nan 0.000 0.479 731 R N 0.929 121.531 120.500 0.170 0.000 2.080 731 R HA -0.201 4.107 4.340 -0.054 0.000 0.236 731 R C 2.218 178.466 176.300 -0.087 0.000 1.137 731 R CA 2.430 58.557 56.100 0.047 0.000 0.943 731 R CB -0.817 29.538 30.300 0.092 0.000 0.846 731 R HN 0.587 nan 8.270 nan 0.000 0.431 732 Q N -0.740 119.004 119.800 -0.094 0.000 2.049 732 Q HA -0.119 4.189 4.340 -0.054 0.000 0.198 732 Q C 2.269 178.122 176.000 -0.245 0.000 0.971 732 Q CA 1.082 56.806 55.803 -0.133 0.000 0.833 732 Q CB -0.422 28.257 28.738 -0.097 0.000 0.896 732 Q HN 0.183 nan 8.270 nan 0.000 0.434 733 R N 0.120 120.378 120.500 -0.403 0.000 2.081 733 R HA -0.133 4.175 4.340 -0.054 0.000 0.235 733 R C 0.652 176.467 176.300 -0.808 0.000 1.131 733 R CA 1.566 57.245 56.100 -0.701 0.000 0.960 733 R CB 0.094 29.745 30.300 -1.082 0.000 0.856 733 R HN 0.368 nan 8.270 nan 0.000 0.436 734 Y N -1.012 119.076 120.300 -0.354 0.000 2.612 734 Y HA 0.219 4.737 4.550 -0.054 0.000 0.250 734 Y C 1.236 176.963 175.900 -0.287 0.000 1.175 734 Y CA -0.342 57.533 58.100 -0.375 0.000 1.205 734 Y CB 0.258 38.350 38.460 -0.614 0.000 1.201 734 Y HN 0.114 nan 8.280 nan 0.000 0.532 735 E N 1.879 122.004 120.200 -0.126 0.000 2.153 735 E HA -0.188 4.129 4.350 -0.054 0.000 0.194 735 E C 2.236 178.813 176.600 -0.040 0.000 0.988 735 E CA 1.745 58.104 56.400 -0.068 0.000 0.811 735 E CB -0.292 29.372 29.700 -0.059 0.000 0.746 735 E HN 0.465 nan 8.360 nan 0.000 0.466 736 I N 0.394 120.936 120.570 -0.045 0.000 2.335 736 I HA -0.109 4.029 4.170 -0.054 0.000 0.251 736 I C 2.339 178.452 176.117 -0.007 0.000 1.129 736 I CA 1.551 62.836 61.300 -0.026 0.000 1.402 736 I CB -1.114 36.866 38.000 -0.032 0.000 1.069 736 I HN 0.261 nan 8.210 nan 0.000 0.424 737 L N -0.080 121.145 121.223 0.003 0.000 2.465 737 L HA 0.277 4.584 4.340 -0.054 0.000 0.224 737 L C 1.527 178.402 176.870 0.008 0.000 1.145 737 L CA 0.982 55.829 54.840 0.012 0.000 0.834 737 L CB -0.294 41.775 42.059 0.017 0.000 0.944 737 L HN 0.575 nan 8.230 nan 0.000 0.451 738 A N -0.924 121.898 122.820 0.004 0.000 3.474 738 A HA 0.627 4.915 4.320 -0.054 0.000 0.251 738 A C 1.040 178.626 177.584 0.003 0.000 1.062 738 A CA 0.164 52.207 52.037 0.010 0.000 0.945 738 A CB 0.208 19.221 19.000 0.023 0.000 1.296 738 A HN 0.104 nan 8.150 nan 0.000 0.592 739 A N 1.112 123.931 122.820 -0.001 0.000 1.917 739 A HA -0.168 4.119 4.320 -0.054 0.000 0.219 739 A C 1.320 178.903 177.584 -0.002 0.000 1.182 739 A CA 1.735 53.769 52.037 -0.005 0.000 0.633 739 A CB -0.392 18.605 19.000 -0.005 0.000 0.819 739 A HN 0.648 nan 8.150 nan 0.000 0.448 740 N N -0.051 118.650 118.700 0.002 0.000 2.346 740 N HA 0.293 5.001 4.740 -0.054 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 0.389 38.878 38.487 0.004 0.000 1.069 740 N HN 0.513 nan 8.380 nan 0.000 0.487 741 A N 0.471 123.295 122.820 0.005 0.000 1.871 741 A HA 0.155 4.442 4.320 -0.054 0.000 0.211 741 A C 0.911 178.496 177.584 0.002 0.000 1.207 741 A CA 0.655 52.698 52.037 0.010 0.000 0.620 741 A CB 0.097 19.110 19.000 0.021 0.000 0.860 741 A HN 0.133 nan 8.150 nan 0.000 0.450 742 I N 0.802 121.369 120.570 -0.005 0.000 2.566 742 I HA 0.372 4.509 4.170 -0.054 0.000 0.303 742 I C -2.128 173.978 176.117 -0.018 0.000 0.983 742 I CA -2.483 58.805 61.300 -0.019 0.000 1.235 742 I CB 1.054 39.037 38.000 -0.028 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 -0.836 176.462 177.300 -0.004 0.000 1.209 743 P CA -0.453 62.640 63.100 -0.011 0.000 0.776 743 P CB 0.046 31.739 31.700 -0.012 0.000 0.876 744 K N 1.564 121.968 120.400 0.007 0.000 2.228 744 K HA 0.535 4.822 4.320 -0.054 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 0.014 0.000 0.941 744 K CB -0.718 31.790 32.500 0.013 0.000 1.158 744 K HN 0.929 nan 8.250 nan 0.000 0.438 745 G N 0.758 109.582 108.800 0.040 0.000 2.233 745 G HA2 0.167 4.095 3.960 -0.054 0.000 0.162 745 G HA3 0.167 4.095 3.960 -0.054 0.000 0.162 745 G C -1.222 173.749 174.900 0.117 0.000 1.327 745 G CA -0.418 44.731 45.100 0.081 0.000 1.187 745 G HN 1.100 nan 8.290 nan 0.000 0.479 746 F N 1.580 121.532 119.950 0.002 0.000 2.445 746 F HA 0.820 5.314 4.527 -0.054 0.000 0.359 746 F C 0.243 176.043 175.800 0.001 0.000 1.101 746 F CA -0.579 57.423 58.000 0.003 0.000 1.177 746 F CB 1.341 40.343 39.000 0.002 0.000 1.110 746 F HN 0.452 nan 8.300 nan 0.000 0.522 747 M N 7.607 126.812 119.600 -0.658 0.000 2.090 747 M HA 0.211 4.659 4.480 -0.054 0.000 0.277 747 M C -1.158 174.726 176.300 -0.694 0.000 0.935 747 M CA -0.792 54.181 55.300 -0.545 0.000 0.966 747 M CB 0.564 33.020 32.600 -0.241 0.000 1.635 747 M HN 0.641 nan 8.290 nan 0.000 0.446 748 D N 3.182 123.142 120.400 -0.732 0.000 2.548 748 D HA 0.016 4.623 4.640 -0.054 0.000 0.231 748 D C 1.015 177.150 176.300 -0.275 0.000 1.142 748 D CA 1.071 54.793 54.000 -0.464 0.000 0.866 748 D CB 1.002 41.653 40.800 -0.249 0.000 1.190 748 D HN 0.792 nan 8.370 nan 0.000 0.469 749 G N 3.600 112.310 108.800 -0.151 0.000 2.574 749 G HA2 -0.369 3.558 3.960 -0.054 0.000 0.220 749 G HA3 -0.369 3.558 3.960 -0.054 0.000 0.220 749 G C 1.405 176.158 174.900 -0.246 0.000 1.173 749 G CA 1.135 46.217 45.100 -0.030 0.000 0.772 749 G HN 0.633 nan 8.290 nan 0.000 0.585 750 K N -0.456 119.581 120.400 -0.605 0.000 1.973 750 K HA -0.110 4.177 4.320 -0.054 0.000 0.212 750 K C 2.793 179.092 176.600 -0.502 0.000 1.047 750 K CA 1.511 57.160 56.287 -1.063 0.000 0.937 750 K CB -0.258 31.705 32.500 -0.895 0.000 0.721 750 K HN 0.212 nan 8.250 nan 0.000 0.440 751 Q N -0.186 119.422 119.800 -0.321 0.000 2.234 751 Q HA -0.115 4.192 4.340 -0.054 0.000 0.206 751 Q C 1.930 177.836 176.000 -0.157 0.000 0.980 751 Q CA 1.365 57.045 55.803 -0.204 0.000 0.869 751 Q CB -0.372 28.271 28.738 -0.159 0.000 0.912 751 Q HN 0.353 nan 8.270 nan 0.000 0.436 752 A N 0.172 122.896 122.820 -0.159 0.000 1.873 752 A HA -0.156 4.131 4.320 -0.054 0.000 0.215 752 A C 2.543 180.123 177.584 -0.007 0.000 1.186 752 A CA 1.316 53.304 52.037 -0.082 0.000 0.616 752 A CB -0.939 18.014 19.000 -0.079 0.000 0.823 752 A HN 0.445 nan 8.150 nan 0.000 0.442 753 C N -0.926 118.370 119.300 -0.006 0.000 2.442 753 C HA -0.084 4.343 4.460 -0.054 0.000 0.279 753 C C 2.507 177.489 174.990 -0.014 0.000 1.237 753 C CA 1.008 60.088 59.018 0.103 0.000 1.722 753 C CB -1.378 26.393 27.740 0.051 0.000 2.056 753 C HN 0.644 nan 8.230 nan 0.000 0.469 754 I N 0.499 120.991 120.570 -0.129 0.000 2.236 754 I HA -0.276 3.861 4.170 -0.054 0.000 0.249 754 I C 2.385 178.468 176.117 -0.057 0.000 1.102 754 I CA 1.503 62.727 61.300 -0.127 0.000 1.365 754 I CB -0.236 37.684 38.000 -0.134 0.000 1.051 754 I HN 0.380 nan 8.210 nan 0.000 0.420 755 L N -0.890 120.313 121.223 -0.033 0.000 1.988 755 L HA -0.262 4.045 4.340 -0.054 0.000 0.207 755 L C 2.612 179.501 176.870 0.031 0.000 1.071 755 L CA 1.756 56.593 54.840 -0.005 0.000 0.744 755 L CB -0.660 41.392 42.059 -0.013 0.000 0.893 755 L HN 0.284 nan 8.230 nan 0.000 0.433 756 M N -0.308 119.335 119.600 0.072 0.000 2.082 756 M HA -0.295 4.152 4.480 -0.054 0.000 0.258 756 M C 2.298 178.682 176.300 0.140 0.000 1.069 756 M CA 1.993 57.367 55.300 0.123 0.000 1.102 756 M CB -0.333 32.397 32.600 0.217 0.000 1.336 756 M HN 0.158 nan 8.290 nan 0.000 0.404 757 I N 0.300 120.950 120.570 0.134 0.000 2.118 757 I HA -0.384 3.753 4.170 -0.054 0.000 0.241 757 I C 2.926 179.080 176.117 0.062 0.000 1.070 757 I CA 2.145 63.478 61.300 0.055 0.000 1.327 757 I CB -0.657 37.202 38.000 -0.235 0.000 1.034 757 I HN 0.341 nan 8.210 nan 0.000 0.405 758 K N 0.749 121.174 120.400 0.041 0.000 2.032 758 K HA -0.152 4.136 4.320 -0.054 0.000 0.209 758 K C 2.230 178.862 176.600 0.052 0.000 1.048 758 K CA 1.733 58.051 56.287 0.052 0.000 0.927 758 K CB -1.561 30.959 32.500 0.033 0.000 0.712 758 K HN 0.510 nan 8.250 nan 0.000 0.441 759 A N 0.670 123.519 122.820 0.048 0.000 1.978 759 A HA 0.040 4.327 4.320 -0.054 0.000 0.220 759 A C 2.361 179.972 177.584 0.046 0.000 1.170 759 A CA 1.606 53.668 52.037 0.042 0.000 0.636 759 A CB -0.334 18.689 19.000 0.039 0.000 0.810 759 A HN 0.468 nan 8.150 nan 0.000 0.448 760 L N -1.197 120.064 121.223 0.064 0.000 2.492 760 L HA 0.054 4.361 4.340 -0.054 0.000 0.223 760 L C 0.210 177.114 176.870 0.057 0.000 1.132 760 L CA 0.414 55.288 54.840 0.058 0.000 0.850 760 L CB -0.469 41.638 42.059 0.080 0.000 0.966 760 L HN 0.433 nan 8.230 nan 0.000 0.454 761 E N 0.409 120.650 120.200 0.069 0.000 2.416 761 E HA -0.211 4.107 4.350 -0.054 0.000 0.249 761 E C -0.237 176.420 176.600 0.094 0.000 1.124 761 E CA 0.044 56.486 56.400 0.069 0.000 0.732 761 E CB -1.779 27.946 29.700 0.042 0.000 1.286 761 E HN 0.414 nan 8.360 nan 0.000 0.394 762 L N 1.244 122.562 121.223 0.158 0.000 2.410 762 L HA 0.107 4.414 4.340 -0.054 0.000 0.273 762 L C 0.797 177.813 176.870 0.244 0.000 1.144 762 L CA -0.242 54.741 54.840 0.238 0.000 0.863 762 L CB 0.309 42.599 42.059 0.384 0.000 1.140 762 L HN 0.088 nan 8.230 nan 0.000 0.463 763 D N 6.355 126.834 120.400 0.132 0.000 2.450 763 D HA 0.020 4.627 4.640 -0.054 0.000 0.247 763 D C -1.348 174.901 176.300 -0.085 0.000 1.162 763 D CA -1.453 52.570 54.000 0.038 0.000 0.879 763 D CB 1.087 41.896 40.800 0.015 0.000 1.163 763 D HN 0.220 nan 8.370 nan 0.000 0.472 764 P HA -0.220 nan 4.420 nan 0.000 0.219 764 P C 0.878 177.876 177.300 -0.504 0.000 1.144 764 P CA 0.962 63.749 63.100 -0.521 0.000 0.806 764 P CB 0.169 31.730 31.700 -0.232 0.000 0.771 765 N N 0.099 118.668 118.700 -0.219 0.000 2.331 765 N HA -0.083 4.625 4.740 -0.054 0.000 0.180 765 N C 1.672 177.171 175.510 -0.018 0.000 1.019 765 N CA 0.665 53.660 53.050 -0.091 0.000 0.881 765 N CB -0.973 37.492 38.487 -0.037 0.000 0.972 765 N HN 0.101 nan 8.380 nan 0.000 0.435 766 L N -0.721 120.475 121.223 -0.046 0.000 2.456 766 L HA 0.004 4.312 4.340 -0.054 0.000 0.224 766 L C 0.023 177.061 176.870 0.281 0.000 1.148 766 L CA 0.366 55.294 54.840 0.147 0.000 0.825 766 L CB -0.627 41.573 42.059 0.234 0.000 0.937 766 L HN 0.303 nan 8.230 nan 0.000 0.450 767 Y N -3.029 117.354 120.300 0.139 0.000 2.853 767 Y HA 0.756 5.273 4.550 -0.054 0.000 0.326 767 Y C -0.894 174.822 175.900 -0.307 0.000 1.384 767 Y CA -2.076 55.941 58.100 -0.137 0.000 1.077 767 Y CB 1.054 39.233 38.460 -0.469 0.000 1.395 767 Y HN -0.298 nan 8.280 nan 0.000 0.451 768 R N 1.263 121.681 120.500 -0.137 0.000 2.566 768 R HA 0.467 4.774 4.340 -0.054 0.000 0.271 768 R C -1.903 174.366 176.300 -0.052 0.000 1.071 768 R CA -0.733 55.233 56.100 -0.224 0.000 0.915 768 R CB 2.616 32.471 30.300 -0.741 0.000 1.228 768 R HN 0.756 nan 8.270 nan 0.000 0.449 769 I N 2.411 122.994 120.570 0.022 0.000 2.307 769 I HA 0.289 4.426 4.170 -0.054 0.000 0.289 769 I C 1.130 177.327 176.117 0.133 0.000 1.021 769 I CA -0.104 61.246 61.300 0.084 0.000 1.224 769 I CB 0.855 38.885 38.000 0.050 0.000 1.376 769 I HN 0.641 nan 8.210 nan 0.000 0.470 770 G N 4.277 113.217 108.800 0.234 0.000 2.532 770 G HA2 0.223 4.151 3.960 -0.054 0.000 0.291 770 G HA3 0.223 4.151 3.960 -0.054 0.000 0.291 770 G C 0.523 175.581 174.900 0.263 0.000 1.349 770 G CA -0.129 45.107 45.100 0.226 0.000 1.038 770 G HN 0.547 nan 8.290 nan 0.000 0.518 771 Q N -0.854 119.060 119.800 0.190 0.000 2.014 771 Q HA -0.155 4.152 4.340 -0.054 0.000 0.207 771 Q C 2.651 178.796 176.000 0.241 0.000 0.993 771 Q CA 2.960 58.877 55.803 0.190 0.000 0.850 771 Q CB -0.113 28.695 28.738 0.116 0.000 0.916 771 Q HN 0.581 nan 8.270 nan 0.000 0.417 772 S N -1.530 114.150 115.700 -0.033 0.000 2.559 772 S HA 0.221 4.659 4.470 -0.054 0.000 0.226 772 S C -0.069 173.836 174.600 -1.157 0.000 1.000 772 S CA -0.449 57.523 58.200 -0.379 0.000 0.948 772 S CB 0.375 63.465 63.200 -0.183 0.000 0.870 772 S HN 0.282 nan 8.310 nan 0.000 0.497 773 K N 0.688 120.518 120.400 -0.951 0.000 2.579 773 K HA 0.515 4.803 4.320 -0.054 0.000 0.284 773 K C -1.713 174.623 176.600 -0.439 0.000 0.990 773 K CA -0.931 54.809 56.287 -0.912 0.000 0.880 773 K CB 0.784 32.914 32.500 -0.616 0.000 1.488 773 K HN 0.163 nan 8.250 nan 0.000 0.425 774 I N 1.194 121.562 120.570 -0.336 0.000 2.353 774 I HA 0.323 4.460 4.170 -0.054 0.000 0.293 774 I C -0.627 175.214 176.117 -0.461 0.000 0.992 774 I CA -0.883 60.227 61.300 -0.317 0.000 1.268 774 I CB 0.382 38.037 38.000 -0.575 0.000 1.387 774 I HN 0.333 nan 8.210 nan 0.000 0.478 775 F N 5.449 125.124 119.950 -0.458 0.000 2.408 775 F HA 0.496 4.991 4.527 -0.054 0.000 0.344 775 F C -0.132 175.447 175.800 -0.368 0.000 1.112 775 F CA -0.219 57.608 58.000 -0.288 0.000 1.096 775 F CB 0.779 39.593 39.000 -0.311 0.000 1.129 775 F HN 0.186 nan 8.300 nan 0.000 0.486 776 F N 2.504 122.642 119.950 0.313 0.000 2.507 776 F HA 0.567 5.062 4.527 -0.054 0.000 0.327 776 F C 0.570 176.591 175.800 0.367 0.000 1.068 776 F CA -1.134 57.059 58.000 0.322 0.000 0.965 776 F CB 1.060 40.168 39.000 0.179 0.000 1.192 776 F HN 0.226 nan 8.300 nan 0.000 0.476 777 R N 0.163 120.967 120.500 0.506 0.000 2.707 777 R HA 0.147 4.455 4.340 -0.054 0.000 0.270 777 R C 0.210 176.636 176.300 0.210 0.000 1.083 777 R CA -0.264 55.983 56.100 0.245 0.000 1.182 777 R CB 0.574 30.961 30.300 0.146 0.000 1.084 777 R HN 0.756 nan 8.270 nan 0.000 0.528 778 T N -1.051 113.574 114.554 0.119 0.000 2.933 778 T HA 0.078 4.395 4.350 -0.054 0.000 0.306 778 T C 1.195 175.954 174.700 0.098 0.000 1.045 778 T CA 0.951 63.112 62.100 0.102 0.000 1.143 778 T CB 0.130 69.037 68.868 0.066 0.000 1.003 778 T HN 0.761 nan 8.240 nan 0.000 0.540 779 G N 2.800 111.650 108.800 0.083 0.000 2.187 779 G HA2 -0.263 3.665 3.960 -0.054 0.000 0.261 779 G HA3 -0.263 3.665 3.960 -0.054 0.000 0.261 779 G C 0.787 175.716 174.900 0.050 0.000 1.000 779 G CA 0.438 45.573 45.100 0.059 0.000 0.718 779 G HN 0.903 nan 8.290 nan 0.000 0.519 780 V N 0.197 120.150 119.914 0.064 0.000 2.331 780 V HA 0.027 4.114 4.120 -0.054 0.000 0.242 780 V C 2.838 178.850 176.094 -0.137 0.000 1.034 780 V CA 1.984 64.300 62.300 0.025 0.000 1.027 780 V CB -0.436 31.484 31.823 0.161 0.000 0.667 780 V HN 0.418 nan 8.190 nan 0.000 0.457 781 L N 0.111 121.199 121.223 -0.225 0.000 2.127 781 L HA -0.185 4.122 4.340 -0.054 0.000 0.211 781 L C 2.694 179.446 176.870 -0.196 0.000 1.089 781 L CA 1.340 55.989 54.840 -0.317 0.000 0.757 781 L CB -0.755 41.201 42.059 -0.172 0.000 0.899 781 L HN 0.394 nan 8.230 nan 0.000 0.434 782 A N -0.410 122.313 122.820 -0.162 0.000 1.849 782 A HA -0.339 3.948 4.320 -0.054 0.000 0.217 782 A C 2.284 179.654 177.584 -0.357 0.000 1.202 782 A CA 2.114 53.925 52.037 -0.376 0.000 0.629 782 A CB -1.121 17.731 19.000 -0.247 0.000 0.834 782 A HN 0.474 nan 8.150 nan 0.000 0.447 783 H N 0.011 118.931 119.070 -0.250 0.000 2.390 783 H HA -0.089 4.435 4.556 -0.054 0.000 0.298 783 H C 1.994 177.211 175.328 -0.185 0.000 1.106 783 H CA 1.913 57.853 56.048 -0.180 0.000 1.297 783 H CB -0.347 29.351 29.762 -0.107 0.000 1.375 783 H HN 0.407 nan 8.280 nan 0.000 0.509 784 L N 0.195 121.382 121.223 -0.060 0.000 2.046 784 L HA -0.182 4.125 4.340 -0.054 0.000 0.208 784 L C 2.662 179.488 176.870 -0.073 0.000 1.077 784 L CA 1.595 56.307 54.840 -0.213 0.000 0.747 784 L CB -0.290 41.325 42.059 -0.740 0.000 0.896 784 L HN 0.240 nan 8.230 nan 0.000 0.432 785 E N 0.443 120.623 120.200 -0.033 0.000 2.031 785 E HA -0.228 4.090 4.350 -0.054 0.000 0.193 785 E C 1.998 178.617 176.600 0.031 0.000 0.994 785 E CA 1.368 57.828 56.400 0.101 0.000 0.800 785 E CB 0.033 29.799 29.700 0.111 0.000 0.752 785 E HN 0.349 nan 8.360 nan 0.000 0.447 786 E N -0.529 119.612 120.200 -0.098 0.000 2.097 786 E HA -0.278 4.039 4.350 -0.054 0.000 0.196 786 E C 2.264 178.825 176.600 -0.065 0.000 1.000 786 E CA 1.651 57.994 56.400 -0.096 0.000 0.804 786 E CB -0.166 29.388 29.700 -0.243 0.000 0.740 786 E HN 0.472 nan 8.360 nan 0.000 0.454 787 E N 1.456 121.628 120.200 -0.048 0.000 2.106 787 E HA -0.172 4.145 4.350 -0.054 0.000 0.192 787 E C 1.829 178.446 176.600 0.028 0.000 0.984 787 E CA 1.206 57.615 56.400 0.015 0.000 0.806 787 E CB -0.636 29.122 29.700 0.096 0.000 0.750 787 E HN 0.130 nan 8.360 nan 0.000 0.458 788 R N 0.410 120.940 120.500 0.049 0.000 2.159 788 R HA -0.059 4.249 4.340 -0.054 0.000 0.237 788 R C 1.217 177.535 176.300 0.030 0.000 1.131 788 R CA 1.311 57.447 56.100 0.061 0.000 0.982 788 R CB -0.639 29.730 30.300 0.116 0.000 0.868 788 R HN 0.633 nan 8.270 nan 0.000 0.453 789 D N 0.000 120.414 120.400 0.024 0.000 6.856 789 D HA 0.000 4.607 4.640 -0.054 0.000 0.175 789 D CA 0.000 54.008 54.000 0.012 0.000 0.868 789 D CB 0.000 40.811 40.800 0.018 0.000 0.688 789 D HN 0.000 nan 8.370 nan 0.000 0.683