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 3lsk_1_D DATA FIRST_RESID 45 DATA SEQUENCE IKYDVVIVGS GPIGCTYARE LVGAGYKVAM FDIGEIDSGL KIGAHKKNTV DATA SEQUENCE EYQKNIDKFV NVIQGQLMSV SVPVNTLVVD TLSPTSWQAS TFFVRNGSNP DATA SEQUENCE EQDPLRNLSG QAVTRVVGGM STHWSCATPR FDREQRPLLV KDDADADDAE DATA SEQUENCE WDRLYTKAES YFQTGTDQFK ESIRHNLVLN KLTEEYKGQR DFQQIPLAAT DATA SEQUENCE RRSPTFVEWS SANTVFDLQN RPNTDAPEER FNLFPAVACE RVVRNALNSE DATA SEQUENCE IESLHIHDLI SGDRFEIKAD VYVLTAGAVH NTQLLVNSGF GQLGRPNPAN DATA SEQUENCE PPELLPSLGS YITEQSLVFC QTVMSTELID SVKSDMTIRG TPGELTYSVT DATA SEQUENCE YTPGASTNKH PDWWNEKVKN HMMQHQEDPL PIPFEDPEPQ VTTLFQPSHP DATA SEQUENCE WHTQIHRDAF SYGAVQQSID SRLIVDWRFF GRTEPKEENK LWFSDKITDA DATA SEQUENCE YNMPQPTFDF RFPAGRTSKE AEDMMTDMCV MSAKIGGFLP GSLPQFMEPG DATA SEQUENCE LVLHLGGTHR MGFDEKEDNC CVNTDSRVFG FKNLFLGGCG NIPTAYGANP DATA SEQUENCE TLTAMSLAIK SCEYIKQNFT PSPF 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 45 I HA 0.000 nan 4.170 nan 0.000 0.288 45 I C 0.000 176.003 176.117 -0.190 0.000 1.063 45 I CA 0.000 61.214 61.300 -0.144 0.000 1.566 45 I CB 0.000 37.963 38.000 -0.062 0.000 1.214 46 K N 1.730 121.919 120.400 -0.352 0.000 2.182 46 K HA 0.664 4.984 4.320 0.000 0.000 0.262 46 K C -1.722 174.572 176.600 -0.509 0.000 0.957 46 K CA -0.299 55.835 56.287 -0.256 0.000 0.842 46 K CB 0.944 33.366 32.500 -0.130 0.000 1.099 46 K HN 0.175 nan 8.250 nan 0.000 0.438 47 Y N 1.327 121.611 120.300 -0.027 0.000 2.598 47 Y HA 0.270 4.820 4.550 0.000 0.000 0.340 47 Y C 0.710 176.577 175.900 -0.055 0.000 1.038 47 Y CA -0.699 57.375 58.100 -0.043 0.000 1.100 47 Y CB 1.891 40.324 38.460 -0.045 0.000 1.281 47 Y HN 0.663 nan 8.280 nan 0.000 0.488 48 D N 0.164 120.637 120.400 0.122 0.000 2.103 48 D HA 0.020 4.660 4.640 0.000 0.000 0.199 48 D C -0.286 176.001 176.300 -0.022 0.000 0.978 48 D CA 1.427 55.478 54.000 0.087 0.000 0.829 48 D CB 0.267 41.183 40.800 0.193 0.000 0.981 48 D HN 0.121 nan 8.370 nan 0.000 0.464 49 V N 1.187 121.085 119.914 -0.027 0.000 2.709 49 V HA 0.359 4.479 4.120 0.000 0.000 0.308 49 V C -0.268 175.730 176.094 -0.159 0.000 1.062 49 V CA -1.042 61.153 62.300 -0.175 0.000 0.901 49 V CB 2.455 34.152 31.823 -0.209 0.000 1.003 49 V HN -0.026 nan 8.190 nan 0.000 0.425 50 V N 3.031 122.808 119.914 -0.228 0.000 2.459 50 V HA 0.719 4.839 4.120 0.000 0.000 0.295 50 V C -0.519 175.514 176.094 -0.102 0.000 1.029 50 V CA -0.558 61.665 62.300 -0.129 0.000 0.874 50 V CB 1.512 33.320 31.823 -0.024 0.000 0.985 50 V HN 0.678 nan 8.190 nan 0.000 0.438 51 I N 4.354 124.886 120.570 -0.064 0.000 2.404 51 I HA 0.531 4.701 4.170 0.000 0.000 0.293 51 I C -0.610 175.531 176.117 0.040 0.000 0.992 51 I CA -0.997 60.264 61.300 -0.064 0.000 1.149 51 I CB 2.189 40.142 38.000 -0.077 0.000 1.315 51 I HN 0.408 nan 8.210 nan 0.000 0.446 52 V N 4.878 124.802 119.914 0.015 0.000 2.328 52 V HA 0.802 4.922 4.120 0.000 0.000 0.278 52 V C 0.382 176.486 176.094 0.017 0.000 1.021 52 V CA -0.387 61.943 62.300 0.050 0.000 0.838 52 V CB 0.716 32.541 31.823 0.004 0.000 0.999 52 V HN 1.081 nan 8.190 nan 0.000 0.447 53 G N 3.734 112.557 108.800 0.038 0.000 3.363 53 G HA2 -0.028 3.932 3.960 0.000 0.000 0.685 53 G HA3 -0.028 3.932 3.960 0.000 0.000 0.685 53 G C -0.025 174.898 174.900 0.039 0.000 1.199 53 G CA -0.256 44.861 45.100 0.030 0.000 0.946 53 G HN 1.171 nan 8.290 nan 0.000 0.558 54 S N 1.176 116.901 115.700 0.042 0.000 2.583 54 S HA 0.567 5.037 4.470 0.000 0.000 0.239 54 S C 1.461 176.081 174.600 0.033 0.000 0.966 54 S CA 0.657 58.891 58.200 0.056 0.000 0.973 54 S CB 0.687 63.927 63.200 0.066 0.000 0.794 54 S HN 1.866 nan 8.310 nan 0.000 0.463 55 G N 2.902 111.712 108.800 0.016 0.000 2.647 55 G HA2 0.308 4.268 3.960 0.000 0.000 0.271 55 G HA3 0.308 4.268 3.960 0.000 0.000 0.271 55 G C -1.146 173.740 174.900 -0.025 0.000 1.300 55 G CA -0.979 44.110 45.100 -0.018 0.000 0.997 55 G HN 0.277 nan 8.290 nan 0.000 0.533 56 P HA -0.014 nan 4.420 nan 0.000 0.225 56 P C 1.726 178.986 177.300 -0.067 0.000 1.156 56 P CA 0.473 63.536 63.100 -0.063 0.000 0.787 56 P CB 0.213 31.900 31.700 -0.022 0.000 0.802 57 I N 0.501 121.063 120.570 -0.015 0.000 2.193 57 I HA -0.040 4.130 4.170 0.000 0.000 0.240 57 I C 2.697 178.882 176.117 0.113 0.000 1.084 57 I CA 1.601 62.923 61.300 0.038 0.000 1.365 57 I CB -2.292 35.756 38.000 0.079 0.000 1.064 57 I HN 0.001 nan 8.210 nan 0.000 0.410 58 G N 0.189 109.043 108.800 0.090 0.000 2.442 58 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 58 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 58 G C 1.757 176.693 174.900 0.059 0.000 1.141 58 G CA 1.076 46.230 45.100 0.090 0.000 0.763 58 G HN 0.421 nan 8.290 nan 0.000 0.554 59 C N 0.574 119.882 119.300 0.014 0.000 2.448 59 C HA 0.051 4.511 4.460 0.000 0.000 0.280 59 C C 3.158 178.066 174.990 -0.137 0.000 1.398 59 C CA 1.288 60.282 59.018 -0.041 0.000 1.774 59 C CB -0.940 26.806 27.740 0.009 0.000 1.888 59 C HN 0.456 nan 8.230 nan 0.000 0.519 60 T N 0.054 114.542 114.554 -0.111 0.000 2.701 60 T HA -0.166 4.184 4.350 0.000 0.000 0.263 60 T C 1.476 176.064 174.700 -0.186 0.000 1.040 60 T CA 1.561 63.570 62.100 -0.153 0.000 1.147 60 T CB -0.491 68.292 68.868 -0.141 0.000 0.865 60 T HN 0.530 nan 8.240 nan 0.000 0.426 61 Y N 1.483 121.680 120.300 -0.172 0.000 2.241 61 Y HA -0.116 4.434 4.550 -0.000 0.000 0.286 61 Y C 2.645 178.372 175.900 -0.288 0.000 1.166 61 Y CA 0.941 58.918 58.100 -0.205 0.000 1.203 61 Y CB -0.520 37.833 38.460 -0.178 0.000 0.977 61 Y HN 0.231 nan 8.280 nan 0.000 0.529 62 A N -0.225 122.453 122.820 -0.237 0.000 1.874 62 A HA -0.126 4.194 4.320 0.000 0.000 0.214 62 A C 2.254 179.299 177.584 -0.899 0.000 1.189 62 A CA 1.227 52.910 52.037 -0.591 0.000 0.615 62 A CB -0.627 17.896 19.000 -0.795 0.000 0.830 62 A HN 0.365 nan 8.150 nan 0.000 0.443 63 R N -0.179 119.845 120.500 -0.794 0.000 2.096 63 R HA -0.188 4.152 4.340 0.000 0.000 0.240 63 R C 2.059 178.150 176.300 -0.348 0.000 1.139 63 R CA 1.957 57.724 56.100 -0.555 0.000 0.952 63 R CB -0.220 29.791 30.300 -0.481 0.000 0.854 63 R HN 0.600 nan 8.270 nan 0.000 0.436 64 E N 0.212 120.253 120.200 -0.264 0.000 2.046 64 E HA -0.158 4.192 4.350 0.000 0.000 0.190 64 E C 2.119 178.660 176.600 -0.100 0.000 0.982 64 E CA 1.139 57.457 56.400 -0.137 0.000 0.800 64 E CB -0.063 29.563 29.700 -0.123 0.000 0.756 64 E HN 0.417 nan 8.360 nan 0.000 0.449 65 L N 0.535 121.673 121.223 -0.141 0.000 2.240 65 L HA -0.055 4.285 4.340 0.000 0.000 0.211 65 L C 2.445 179.358 176.870 0.073 0.000 1.106 65 L CA 0.222 55.024 54.840 -0.063 0.000 0.793 65 L CB -0.145 41.772 42.059 -0.236 0.000 0.927 65 L HN -0.043 nan 8.230 nan 0.000 0.446 66 V N 0.318 120.180 119.914 -0.086 0.000 2.346 66 V HA -0.098 4.022 4.120 0.000 0.000 0.244 66 V C 2.672 178.779 176.094 0.021 0.000 1.037 66 V CA 1.851 64.132 62.300 -0.032 0.000 1.029 66 V CB -0.970 30.741 31.823 -0.186 0.000 0.663 66 V HN 0.513 nan 8.190 nan 0.000 0.454 67 G N 0.046 108.831 108.800 -0.025 0.000 2.503 67 G HA2 -0.280 3.680 3.960 0.000 0.000 0.221 67 G HA3 -0.280 3.680 3.960 0.000 0.000 0.221 67 G C 1.471 176.397 174.900 0.042 0.000 1.131 67 G CA 1.069 46.176 45.100 0.011 0.000 0.756 67 G HN 0.648 nan 8.290 nan 0.000 0.572 68 A N -0.552 122.320 122.820 0.086 0.000 2.259 68 A HA 0.479 4.799 4.320 0.000 0.000 0.208 68 A C 2.008 179.608 177.584 0.027 0.000 1.201 68 A CA 1.166 53.270 52.037 0.112 0.000 0.824 68 A CB -0.465 18.687 19.000 0.253 0.000 0.838 68 A HN 1.653 nan 8.150 nan 0.000 0.485 69 G N -2.356 106.462 108.800 0.030 0.000 2.213 69 G HA2 -0.269 3.691 3.960 0.000 0.000 0.226 69 G HA3 -0.269 3.691 3.960 0.000 0.000 0.226 69 G C 0.067 174.908 174.900 -0.099 0.000 0.992 69 G CA 0.061 45.132 45.100 -0.049 0.000 0.632 69 G HN 0.402 nan 8.290 nan 0.000 0.511 70 Y N 1.308 121.612 120.300 0.006 0.000 2.497 70 Y HA 0.382 4.932 4.550 0.000 0.000 0.334 70 Y C 1.164 177.065 175.900 0.002 0.000 1.199 70 Y CA 0.474 58.572 58.100 -0.003 0.000 1.425 70 Y CB 0.707 39.154 38.460 -0.023 0.000 1.291 70 Y HN 0.072 nan 8.280 nan 0.000 0.562 71 K N 3.784 124.260 120.400 0.126 0.000 2.273 71 K HA 0.388 4.708 4.320 0.000 0.000 0.287 71 K C -1.504 175.193 176.600 0.162 0.000 1.089 71 K CA -0.111 56.232 56.287 0.094 0.000 0.909 71 K CB 0.010 32.515 32.500 0.008 0.000 1.123 71 K HN 0.515 nan 8.250 nan 0.000 0.473 72 V N 2.560 122.550 119.914 0.126 0.000 2.667 72 V HA 0.716 4.836 4.120 0.000 0.000 0.308 72 V C -0.297 175.653 176.094 -0.241 0.000 1.048 72 V CA -0.933 61.383 62.300 0.026 0.000 0.928 72 V CB 1.527 33.428 31.823 0.129 0.000 1.004 72 V HN 0.888 nan 8.190 nan 0.000 0.444 73 A N 4.718 127.259 122.820 -0.464 0.000 2.449 73 A HA 0.933 5.253 4.320 0.000 0.000 0.302 73 A C -0.905 176.281 177.584 -0.664 0.000 1.048 73 A CA -0.590 50.945 52.037 -0.837 0.000 0.708 73 A CB 1.952 20.176 19.000 -1.294 0.000 1.274 73 A HN 0.935 nan 8.150 nan 0.000 0.410 74 M N 2.176 121.300 119.600 -0.793 0.000 2.393 74 M HA 0.776 5.256 4.480 0.000 0.000 0.299 74 M C -2.209 173.749 176.300 -0.571 0.000 1.103 74 M CA -0.442 54.598 55.300 -0.434 0.000 0.910 74 M CB 1.298 33.812 32.600 -0.143 0.000 1.659 74 M HN 0.601 nan 8.290 nan 0.000 0.445 75 F N 1.944 121.868 119.950 -0.043 0.000 2.522 75 F HA 0.581 5.108 4.527 -0.000 0.000 0.324 75 F C -0.071 175.714 175.800 -0.025 0.000 1.077 75 F CA -0.497 57.498 58.000 -0.007 0.000 0.944 75 F CB 1.504 40.474 39.000 -0.050 0.000 1.175 75 F HN 0.485 nan 8.300 nan 0.000 0.468 76 D N 2.089 122.570 120.400 0.136 0.000 2.671 76 D HA 0.264 4.904 4.640 0.000 0.000 0.232 76 D C 0.361 176.676 176.300 0.024 0.000 1.114 76 D CA -0.363 53.671 54.000 0.056 0.000 0.858 76 D CB 2.686 43.506 40.800 0.032 0.000 1.544 76 D HN 0.673 nan 8.370 nan 0.000 0.471 77 I N 1.519 122.054 120.570 -0.059 0.000 2.761 77 I HA 0.117 4.287 4.170 0.000 0.000 0.261 77 I C 1.063 177.131 176.117 -0.081 0.000 1.198 77 I CA 0.542 61.759 61.300 -0.138 0.000 1.482 77 I CB 0.160 37.963 38.000 -0.328 0.000 1.100 77 I HN 0.309 nan 8.210 nan 0.000 0.445 78 G N 0.288 109.065 108.800 -0.039 0.000 2.557 78 G HA2 0.369 4.329 3.960 0.000 0.000 0.292 78 G HA3 0.369 4.329 3.960 0.000 0.000 0.292 78 G C -0.873 174.043 174.900 0.027 0.000 1.237 78 G CA -0.389 44.716 45.100 0.008 0.000 0.978 78 G HN 0.323 nan 8.290 nan 0.000 0.498 79 E N -1.370 118.853 120.200 0.038 0.000 2.320 79 E HA 0.365 4.715 4.350 0.000 0.000 0.264 79 E C -0.539 176.083 176.600 0.037 0.000 0.923 79 E CA -0.750 55.673 56.400 0.038 0.000 0.796 79 E CB 2.562 32.287 29.700 0.042 0.000 1.262 79 E HN 0.273 nan 8.360 nan 0.000 0.428 80 I N 2.998 123.587 120.570 0.033 0.000 2.436 80 I HA -0.026 4.144 4.170 0.000 0.000 0.289 80 I C 0.231 176.372 176.117 0.040 0.000 1.083 80 I CA 0.384 61.704 61.300 0.032 0.000 1.372 80 I CB 0.107 38.121 38.000 0.022 0.000 1.408 80 I HN 0.580 nan 8.210 nan 0.000 0.516 81 D N 1.963 122.392 120.400 0.049 0.000 3.084 81 D HA -0.060 4.580 4.640 0.000 0.000 0.294 81 D C 1.572 177.914 176.300 0.071 0.000 1.165 81 D CA 0.124 54.159 54.000 0.058 0.000 1.008 81 D CB -0.420 40.417 40.800 0.061 0.000 1.266 81 D HN 0.278 nan 8.370 nan 0.000 0.449 82 S N 0.152 115.902 115.700 0.082 0.000 2.483 82 S HA 0.055 4.525 4.470 0.000 0.000 0.279 82 S C 1.248 175.913 174.600 0.107 0.000 1.047 82 S CA 1.600 59.863 58.200 0.106 0.000 1.008 82 S CB -0.902 62.358 63.200 0.101 0.000 0.746 82 S HN 0.948 nan 8.310 nan 0.000 0.501 83 G N -0.830 108.019 108.800 0.083 0.000 2.409 83 G HA2 -0.131 3.829 3.960 0.000 0.000 0.421 83 G HA3 -0.131 3.829 3.960 0.000 0.000 0.421 83 G C 0.130 175.060 174.900 0.050 0.000 1.259 83 G CA -0.295 44.849 45.100 0.074 0.000 1.011 83 G HN 0.203 nan 8.290 nan 0.000 0.497 84 L N 0.008 121.255 121.223 0.040 0.000 2.313 84 L HA 0.141 4.481 4.340 0.000 0.000 0.214 84 L C 1.494 178.369 176.870 0.010 0.000 1.119 84 L CA 0.885 55.736 54.840 0.020 0.000 0.809 84 L CB -0.251 41.815 42.059 0.012 0.000 0.933 84 L HN 0.317 nan 8.230 nan 0.000 0.449 85 K N 1.689 122.103 120.400 0.023 0.000 2.219 85 K HA 0.303 4.623 4.320 0.000 0.000 0.280 85 K C -0.241 176.370 176.600 0.018 0.000 1.104 85 K CA -0.239 56.056 56.287 0.013 0.000 0.925 85 K CB 0.603 33.125 32.500 0.036 0.000 1.261 85 K HN 0.097 nan 8.250 nan 0.000 0.445 86 I N 2.158 122.723 120.570 -0.008 0.000 2.742 86 I HA -0.108 4.062 4.170 0.000 0.000 0.287 86 I C 1.345 177.467 176.117 0.008 0.000 1.186 86 I CA 0.834 62.133 61.300 -0.001 0.000 1.417 86 I CB 0.186 38.172 38.000 -0.022 0.000 1.377 86 I HN 0.966 nan 8.210 nan 0.000 0.556 87 G N 4.230 113.049 108.800 0.032 0.000 2.143 87 G HA2 -0.183 3.777 3.960 0.000 0.000 0.249 87 G HA3 -0.183 3.777 3.960 0.000 0.000 0.249 87 G C 0.311 175.248 174.900 0.061 0.000 0.981 87 G CA -0.022 45.100 45.100 0.037 0.000 0.665 87 G HN 0.971 nan 8.290 nan 0.000 0.528 88 A N -0.203 122.668 122.820 0.085 0.000 2.296 88 A HA 0.607 4.927 4.320 0.000 0.000 0.264 88 A C 0.599 178.293 177.584 0.183 0.000 1.097 88 A CA -0.238 51.884 52.037 0.143 0.000 0.811 88 A CB 0.244 19.331 19.000 0.144 0.000 1.072 88 A HN 0.643 nan 8.150 nan 0.000 0.495 89 H N 0.516 119.700 119.070 0.191 0.000 2.929 89 H HA 0.091 4.647 4.556 0.000 0.000 0.317 89 H C 0.622 176.056 175.328 0.177 0.000 1.031 89 H CA 0.753 56.923 56.048 0.204 0.000 1.466 89 H CB 0.762 30.660 29.762 0.226 0.000 1.482 89 H HN 0.635 nan 8.280 nan 0.000 0.561 90 K N 3.711 124.325 120.400 0.356 0.000 2.525 90 K HA -0.067 4.253 4.320 0.000 0.000 0.192 90 K C 1.522 178.337 176.600 0.358 0.000 1.029 90 K CA 0.340 56.859 56.287 0.387 0.000 1.029 90 K CB 0.470 33.197 32.500 0.379 0.000 0.814 90 K HN 0.422 nan 8.250 nan 0.000 0.503 91 K N 0.946 121.436 120.400 0.150 0.000 2.426 91 K HA 0.036 4.356 4.320 0.000 0.000 0.193 91 K C 0.385 176.987 176.600 0.004 0.000 1.028 91 K CA 0.276 56.326 56.287 -0.394 0.000 1.047 91 K CB 0.321 32.126 32.500 -1.158 0.000 0.821 91 K HN -0.069 nan 8.250 nan 0.000 0.513 92 N N 2.040 120.857 118.700 0.194 0.000 2.623 92 N HA -0.017 4.723 4.740 0.000 0.000 0.263 92 N C -0.770 175.019 175.510 0.466 0.000 1.218 92 N CA 0.306 53.539 53.050 0.304 0.000 0.949 92 N CB 0.682 39.368 38.487 0.332 0.000 1.270 92 N HN 0.302 nan 8.380 nan 0.000 0.507 93 T N -4.054 110.754 114.554 0.423 0.000 2.895 93 T HA 0.324 4.674 4.350 0.000 0.000 0.283 93 T C 1.533 176.488 174.700 0.425 0.000 1.014 93 T CA -0.771 61.563 62.100 0.390 0.000 1.037 93 T CB 1.624 70.680 68.868 0.313 0.000 1.006 93 T HN -0.171 nan 8.240 nan 0.000 0.468 94 V N 1.780 121.874 119.914 0.300 0.000 2.332 94 V HA -0.123 3.997 4.120 0.000 0.000 0.248 94 V C 2.792 178.974 176.094 0.145 0.000 1.055 94 V CA 2.431 64.872 62.300 0.235 0.000 1.038 94 V CB -1.023 30.846 31.823 0.076 0.000 0.651 94 V HN 1.055 nan 8.190 nan 0.000 0.450 95 E N -0.496 119.734 120.200 0.050 0.000 2.077 95 E HA -0.213 4.137 4.350 0.000 0.000 0.193 95 E C 2.037 178.576 176.600 -0.102 0.000 0.989 95 E CA 1.617 57.972 56.400 -0.075 0.000 0.800 95 E CB -0.320 29.264 29.700 -0.193 0.000 0.746 95 E HN 0.660 nan 8.360 nan 0.000 0.452 96 Y N 0.886 121.267 120.300 0.135 0.000 2.263 96 Y HA -0.047 4.503 4.550 -0.000 0.000 0.292 96 Y C 2.195 178.137 175.900 0.070 0.000 1.130 96 Y CA 1.405 59.579 58.100 0.122 0.000 1.179 96 Y CB -0.135 38.410 38.460 0.142 0.000 0.998 96 Y HN 0.160 nan 8.280 nan 0.000 0.532 97 Q N -0.280 119.643 119.800 0.205 0.000 2.369 97 Q HA -0.123 4.217 4.340 0.000 0.000 0.206 97 Q C 1.751 177.818 176.000 0.112 0.000 0.963 97 Q CA 0.834 56.706 55.803 0.114 0.000 0.894 97 Q CB -0.051 28.702 28.738 0.025 0.000 0.965 97 Q HN 0.450 nan 8.270 nan 0.000 0.475 98 K N 0.466 120.932 120.400 0.109 0.000 2.243 98 K HA 0.045 4.365 4.320 0.000 0.000 0.201 98 K C 0.387 177.025 176.600 0.063 0.000 1.051 98 K CA 0.497 56.828 56.287 0.072 0.000 0.970 98 K CB 0.485 33.015 32.500 0.049 0.000 0.755 98 K HN 0.107 nan 8.250 nan 0.000 0.465 99 N N 1.001 119.752 118.700 0.086 0.000 2.765 99 N HA 0.049 4.789 4.740 0.000 0.000 0.277 99 N C 0.007 175.620 175.510 0.172 0.000 1.750 99 N CA 0.032 53.139 53.050 0.096 0.000 0.827 99 N CB 1.201 39.724 38.487 0.060 0.000 1.200 99 N HN -0.006 nan 8.380 nan 0.000 0.494 100 I N 1.821 122.479 120.570 0.146 0.000 2.493 100 I HA -0.211 3.959 4.170 0.000 0.000 0.254 100 I C 1.750 177.971 176.117 0.173 0.000 1.160 100 I CA 1.533 62.932 61.300 0.164 0.000 1.445 100 I CB -0.053 38.001 38.000 0.090 0.000 1.086 100 I HN 0.314 nan 8.210 nan 0.000 0.433 101 D N -0.533 119.946 120.400 0.131 0.000 2.265 101 D HA -0.225 4.415 4.640 0.000 0.000 0.208 101 D C 1.613 177.988 176.300 0.125 0.000 0.977 101 D CA 1.058 55.121 54.000 0.105 0.000 0.871 101 D CB -0.299 40.546 40.800 0.076 0.000 0.925 101 D HN 0.193 nan 8.370 nan 0.000 0.485 102 K N -0.551 119.968 120.400 0.198 0.000 2.418 102 K HA 0.019 4.339 4.320 0.000 0.000 0.195 102 K C 1.274 178.000 176.600 0.210 0.000 1.035 102 K CA 0.037 56.454 56.287 0.217 0.000 1.003 102 K CB -0.442 32.232 32.500 0.290 0.000 0.793 102 K HN 0.284 nan 8.250 nan 0.000 0.494 103 F N 1.521 121.500 119.950 0.049 0.000 2.407 103 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 103 F C 1.820 177.531 175.800 -0.148 0.000 1.097 103 F CA 0.405 58.295 58.000 -0.183 0.000 1.422 103 F CB 0.023 38.872 39.000 -0.253 0.000 1.067 103 F HN -0.297 nan 8.300 nan 0.000 0.539 104 V N 0.583 120.448 119.914 -0.082 0.000 2.332 104 V HA -0.381 3.739 4.120 0.000 0.000 0.248 104 V C 1.883 177.845 176.094 -0.221 0.000 1.055 104 V CA 2.522 64.740 62.300 -0.136 0.000 1.038 104 V CB -0.871 30.919 31.823 -0.054 0.000 0.651 104 V HN 0.387 nan 8.190 nan 0.000 0.450 105 N N -0.266 118.333 118.700 -0.168 0.000 2.166 105 N HA -0.154 4.586 4.740 0.000 0.000 0.186 105 N C 1.651 177.016 175.510 -0.242 0.000 1.019 105 N CA 1.350 54.312 53.050 -0.147 0.000 0.856 105 N CB -0.243 38.211 38.487 -0.055 0.000 0.993 105 N HN 0.321 nan 8.380 nan 0.000 0.426 106 V N 1.131 120.790 119.914 -0.425 0.000 2.490 106 V HA -0.186 3.934 4.120 0.000 0.000 0.250 106 V C 1.956 177.731 176.094 -0.532 0.000 1.061 106 V CA 1.361 63.341 62.300 -0.532 0.000 1.064 106 V CB -0.452 30.749 31.823 -1.037 0.000 0.670 106 V HN 0.315 nan 8.190 nan 0.000 0.461 107 I N -0.493 119.705 120.570 -0.621 0.000 2.193 107 I HA -0.249 3.921 4.170 0.000 0.000 0.240 107 I C 2.670 178.561 176.117 -0.377 0.000 1.084 107 I CA 1.387 62.346 61.300 -0.570 0.000 1.365 107 I CB -0.406 37.282 38.000 -0.520 0.000 1.064 107 I HN 0.292 nan 8.210 nan 0.000 0.410 108 Q N 0.609 120.253 119.800 -0.261 0.000 2.152 108 Q HA -0.198 4.143 4.340 0.000 0.000 0.206 108 Q C 2.293 178.219 176.000 -0.123 0.000 0.985 108 Q CA 1.697 57.409 55.803 -0.152 0.000 0.863 108 Q CB -0.523 28.150 28.738 -0.107 0.000 0.904 108 Q HN 0.663 nan 8.270 nan 0.000 0.422 109 G N 1.229 109.945 108.800 -0.140 0.000 2.470 109 G HA2 -0.253 3.707 3.960 0.000 0.000 0.220 109 G HA3 -0.253 3.707 3.960 0.000 0.000 0.220 109 G C 1.054 175.909 174.900 -0.075 0.000 1.121 109 G CA 0.848 45.892 45.100 -0.093 0.000 0.766 109 G HN 0.508 nan 8.290 nan 0.000 0.553 110 Q N -0.618 119.115 119.800 -0.111 0.000 2.175 110 Q HA 0.442 4.782 4.340 0.000 0.000 0.225 110 Q C -0.210 175.771 176.000 -0.030 0.000 0.837 110 Q CA -0.271 55.502 55.803 -0.050 0.000 1.032 110 Q CB 0.186 28.913 28.738 -0.020 0.000 1.137 110 Q HN 0.265 nan 8.270 nan 0.000 0.483 111 L N 1.902 123.093 121.223 -0.053 0.000 2.294 111 L HA 0.521 4.861 4.340 0.000 0.000 0.283 111 L C -0.965 175.918 176.870 0.020 0.000 1.015 111 L CA -0.795 54.038 54.840 -0.011 0.000 0.831 111 L CB 1.378 43.410 42.059 -0.045 0.000 1.217 111 L HN 0.188 nan 8.230 nan 0.000 0.420 112 M N 2.275 121.910 119.600 0.058 0.000 2.114 112 M HA 0.294 4.774 4.480 0.000 0.000 0.332 112 M C 0.120 176.463 176.300 0.070 0.000 1.014 112 M CA -0.083 55.257 55.300 0.066 0.000 0.956 112 M CB 1.703 34.361 32.600 0.097 0.000 1.551 112 M HN 0.315 nan 8.290 nan 0.000 0.427 113 S N 1.724 117.455 115.700 0.051 0.000 2.552 113 S HA 0.102 4.572 4.470 0.000 0.000 0.289 113 S C 1.476 176.110 174.600 0.057 0.000 1.304 113 S CA -0.591 57.638 58.200 0.049 0.000 1.063 113 S CB 0.597 63.815 63.200 0.030 0.000 0.848 113 S HN 0.581 nan 8.310 nan 0.000 0.499 114 V N 2.277 122.231 119.914 0.068 0.000 2.323 114 V HA 0.010 4.130 4.120 0.000 0.000 0.244 114 V C 1.209 177.294 176.094 -0.014 0.000 1.041 114 V CA 1.431 63.755 62.300 0.040 0.000 1.025 114 V CB 0.022 31.894 31.823 0.081 0.000 0.656 114 V HN 0.800 nan 8.190 nan 0.000 0.451 115 S N -0.402 115.308 115.700 0.016 0.000 2.776 115 S HA 0.516 4.986 4.470 0.000 0.000 0.284 115 S C -1.118 173.478 174.600 -0.008 0.000 1.160 115 S CA -0.461 57.714 58.200 -0.041 0.000 1.051 115 S CB 1.442 64.566 63.200 -0.127 0.000 1.037 115 S HN 0.005 nan 8.310 nan 0.000 0.485 116 V N 7.830 127.730 119.914 -0.023 0.000 2.347 116 V HA 0.513 4.633 4.120 0.000 0.000 0.280 116 V C -2.010 174.063 176.094 -0.034 0.000 1.021 116 V CA -1.854 60.433 62.300 -0.021 0.000 0.847 116 V CB 1.321 33.133 31.823 -0.017 0.000 0.990 116 V HN 0.701 nan 8.190 nan 0.000 0.444 117 P HA 0.110 nan 4.420 nan 0.000 0.271 117 P C -0.097 177.173 177.300 -0.050 0.000 1.233 117 P CA -0.095 62.981 63.100 -0.041 0.000 0.789 117 P CB 0.588 32.264 31.700 -0.040 0.000 0.951 118 V N 2.125 122.011 119.914 -0.047 0.000 2.617 118 V HA -0.060 4.060 4.120 0.000 0.000 0.304 118 V C 1.289 177.319 176.094 -0.107 0.000 1.040 118 V CA 0.239 62.504 62.300 -0.058 0.000 1.149 118 V CB -0.755 31.058 31.823 -0.017 0.000 0.914 118 V HN 0.616 nan 8.190 nan 0.000 0.487 119 N N 3.581 122.211 118.700 -0.117 0.000 2.497 119 N HA 0.079 4.819 4.740 0.000 0.000 0.271 119 N C 0.611 175.935 175.510 -0.311 0.000 1.142 119 N CA 0.524 53.482 53.050 -0.154 0.000 0.965 119 N CB 1.489 39.919 38.487 -0.094 0.000 1.077 119 N HN 0.897 nan 8.380 nan 0.000 0.462 120 T N 0.983 115.246 114.554 -0.485 0.000 3.288 120 T HA 0.261 4.611 4.350 0.000 0.000 0.293 120 T C 0.804 175.129 174.700 -0.625 0.000 1.008 120 T CA -0.447 60.971 62.100 -1.136 0.000 0.929 120 T CB -0.421 67.824 68.868 -1.038 0.000 1.152 120 T HN 0.274 nan 8.240 nan 0.000 0.517 121 L N 1.874 122.957 121.223 -0.233 0.000 2.456 121 L HA 0.382 4.722 4.340 0.000 0.000 0.272 121 L C -0.011 176.934 176.870 0.125 0.000 1.189 121 L CA -0.644 54.168 54.840 -0.046 0.000 0.846 121 L CB 0.818 42.867 42.059 -0.017 0.000 1.111 121 L HN 0.078 nan 8.230 nan 0.000 0.475 122 V N 4.152 124.143 119.914 0.129 0.000 2.350 122 V HA 0.225 4.345 4.120 0.000 0.000 0.276 122 V C 0.066 176.225 176.094 0.108 0.000 1.028 122 V CA -0.522 61.887 62.300 0.181 0.000 0.860 122 V CB 1.580 33.490 31.823 0.145 0.000 0.990 122 V HN 0.409 nan 8.190 nan 0.000 0.453 123 V N 5.297 125.275 119.914 0.107 0.000 2.293 123 V HA 0.317 4.437 4.120 0.000 0.000 0.275 123 V C 0.228 176.353 176.094 0.050 0.000 1.021 123 V CA -0.418 61.924 62.300 0.071 0.000 0.815 123 V CB 1.297 33.165 31.823 0.075 0.000 1.025 123 V HN 1.068 nan 8.190 nan 0.000 0.448 124 D N 1.821 122.244 120.400 0.037 0.000 2.402 124 D HA -0.005 4.635 4.640 0.000 0.000 0.216 124 D C 1.229 177.537 176.300 0.014 0.000 1.128 124 D CA 0.277 54.288 54.000 0.018 0.000 0.833 124 D CB 0.328 41.137 40.800 0.015 0.000 0.971 124 D HN 0.544 nan 8.370 nan 0.000 0.503 125 T N -1.637 112.930 114.554 0.021 0.000 3.248 125 T HA 0.331 4.681 4.350 0.000 0.000 0.271 125 T C 0.617 175.329 174.700 0.021 0.000 1.005 125 T CA -0.591 61.519 62.100 0.017 0.000 0.902 125 T CB -0.337 68.543 68.868 0.018 0.000 1.102 125 T HN 0.023 nan 8.240 nan 0.000 0.548 126 L N 1.765 123.001 121.223 0.022 0.000 2.452 126 L HA 0.317 4.657 4.340 0.000 0.000 0.267 126 L C 1.133 178.015 176.870 0.019 0.000 1.188 126 L CA -0.576 54.282 54.840 0.029 0.000 0.821 126 L CB 0.612 42.693 42.059 0.035 0.000 1.102 126 L HN 0.266 nan 8.230 nan 0.000 0.470 127 S N 1.899 117.614 115.700 0.024 0.000 2.558 127 S HA 0.072 4.542 4.470 0.000 0.000 0.288 127 S C -1.451 173.155 174.600 0.010 0.000 1.318 127 S CA -1.013 57.198 58.200 0.017 0.000 1.056 127 S CB 0.785 63.999 63.200 0.024 0.000 0.853 127 S HN 0.380 nan 8.310 nan 0.000 0.505 128 P HA -0.081 nan 4.420 nan 0.000 0.220 128 P C 1.272 178.569 177.300 -0.004 0.000 1.144 128 P CA 1.292 64.387 63.100 -0.010 0.000 0.800 128 P CB -0.140 31.554 31.700 -0.010 0.000 0.772 129 T N -6.009 108.552 114.554 0.012 0.000 3.067 129 T HA 0.117 4.467 4.350 0.000 0.000 0.257 129 T C 1.013 175.740 174.700 0.045 0.000 1.105 129 T CA -0.001 62.113 62.100 0.023 0.000 1.104 129 T CB -0.514 68.370 68.868 0.026 0.000 0.925 129 T HN -0.112 nan 8.240 nan 0.000 0.498 130 S N 1.399 117.129 115.700 0.050 0.000 2.564 130 S HA 0.264 4.734 4.470 0.000 0.000 0.278 130 S C -0.560 174.110 174.600 0.117 0.000 1.333 130 S CA -0.940 57.315 58.200 0.093 0.000 1.048 130 S CB 0.102 63.355 63.200 0.088 0.000 0.900 130 S HN 0.589 nan 8.310 nan 0.000 0.505 131 W N 3.319 124.627 121.300 0.013 0.000 2.397 131 W HA 0.152 4.812 4.660 0.000 0.000 0.327 131 W C 0.318 176.852 176.519 0.024 0.000 1.421 131 W CA 0.286 57.638 57.345 0.012 0.000 1.288 131 W CB 0.134 29.602 29.460 0.013 0.000 1.312 131 W HN 0.529 nan 8.180 nan 0.000 0.559 132 Q N 5.253 124.730 119.800 -0.538 0.000 2.330 132 Q HA 0.575 4.915 4.340 0.000 0.000 0.269 132 Q C -0.333 175.119 176.000 -0.914 0.000 1.022 132 Q CA -0.839 54.682 55.803 -0.470 0.000 0.796 132 Q CB 1.553 30.128 28.738 -0.272 0.000 1.271 132 Q HN 0.607 nan 8.270 nan 0.000 0.450 133 A N 2.597 125.128 122.820 -0.483 0.000 2.540 133 A HA 0.105 4.425 4.320 0.000 0.000 0.239 133 A C 0.554 177.967 177.584 -0.285 0.000 1.061 133 A CA 0.261 52.131 52.037 -0.279 0.000 0.758 133 A CB 0.412 19.531 19.000 0.197 0.000 0.991 133 A HN 0.904 nan 8.150 nan 0.000 0.502 134 S N -0.054 115.502 115.700 -0.240 0.000 2.503 134 S HA 0.114 4.584 4.470 0.000 0.000 0.217 134 S C 0.914 175.418 174.600 -0.160 0.000 0.999 134 S CA 0.804 58.891 58.200 -0.190 0.000 0.914 134 S CB -0.075 63.032 63.200 -0.155 0.000 0.782 134 S HN 1.127 nan 8.310 nan 0.000 0.520 135 T N -1.319 113.188 114.554 -0.079 0.000 2.865 135 T HA 0.643 4.993 4.350 0.000 0.000 0.294 135 T C -0.947 173.735 174.700 -0.030 0.000 1.119 135 T CA -0.763 61.289 62.100 -0.080 0.000 1.007 135 T CB 0.693 69.610 68.868 0.082 0.000 1.225 135 T HN -0.091 nan 8.240 nan 0.000 0.515 136 F N 2.969 123.001 119.950 0.137 0.000 2.605 136 F HA 0.396 4.923 4.527 -0.000 0.000 0.352 136 F C 0.310 176.155 175.800 0.076 0.000 1.236 136 F CA -1.828 56.212 58.000 0.067 0.000 1.267 136 F CB -0.984 38.029 39.000 0.023 0.000 1.632 136 F HN 0.555 nan 8.300 nan 0.000 0.639 137 F N -0.788 119.284 119.950 0.202 0.000 2.368 137 F HA 0.665 5.192 4.527 -0.000 0.000 0.315 137 F C -0.131 175.743 175.800 0.124 0.000 1.145 137 F CA -1.698 56.388 58.000 0.143 0.000 1.095 137 F CB -0.047 39.030 39.000 0.128 0.000 1.286 137 F HN -0.186 nan 8.300 nan 0.000 0.530 138 V N 2.742 122.778 119.914 0.203 0.000 2.425 138 V HA 0.233 4.353 4.120 0.000 0.000 0.276 138 V C 0.066 176.156 176.094 -0.006 0.000 1.017 138 V CA 0.081 62.419 62.300 0.063 0.000 1.062 138 V CB -0.747 31.143 31.823 0.111 0.000 0.997 138 V HN 0.691 nan 8.190 nan 0.000 0.476 139 R N 4.132 124.527 120.500 -0.175 0.000 2.686 139 R HA 0.473 4.813 4.340 0.000 0.000 0.286 139 R C 0.265 176.519 176.300 -0.077 0.000 0.969 139 R CA -0.802 55.185 56.100 -0.188 0.000 0.898 139 R CB 1.267 31.314 30.300 -0.421 0.000 1.183 139 R HN 0.719 nan 8.270 nan 0.000 0.456 140 N N 1.161 119.846 118.700 -0.026 0.000 2.747 140 N HA -0.196 4.544 4.740 0.000 0.000 0.249 140 N C 0.497 175.999 175.510 -0.014 0.000 1.107 140 N CA 1.528 54.567 53.050 -0.018 0.000 0.707 140 N CB -1.163 37.308 38.487 -0.027 0.000 1.054 140 N HN 1.091 nan 8.380 nan 0.000 0.555 141 G N -1.516 107.281 108.800 -0.006 0.000 2.179 141 G HA2 -0.324 3.636 3.960 0.000 0.000 0.260 141 G HA3 -0.324 3.636 3.960 0.000 0.000 0.260 141 G C 0.224 175.120 174.900 -0.008 0.000 0.977 141 G CA 0.977 46.076 45.100 -0.002 0.000 0.641 141 G HN 1.439 nan 8.290 nan 0.000 0.533 142 S N -0.294 115.394 115.700 -0.019 0.000 2.563 142 S HA 0.367 4.837 4.470 0.000 0.000 0.284 142 S C 0.211 174.800 174.600 -0.018 0.000 1.331 142 S CA 0.336 58.521 58.200 -0.026 0.000 1.047 142 S CB 1.533 64.708 63.200 -0.042 0.000 0.859 142 S HN 0.775 nan 8.310 nan 0.000 0.514 143 N N 2.855 121.537 118.700 -0.030 0.000 2.485 143 N HA 0.366 5.106 4.740 0.000 0.000 0.243 143 N C -1.680 173.813 175.510 -0.028 0.000 0.987 143 N CA -2.556 50.470 53.050 -0.040 0.000 0.940 143 N CB 1.281 39.716 38.487 -0.087 0.000 1.122 143 N HN 0.377 nan 8.380 nan 0.000 0.509 144 P HA -0.024 nan 4.420 nan 0.000 0.233 144 P C 0.339 177.661 177.300 0.035 0.000 1.167 144 P CA 0.759 63.874 63.100 0.026 0.000 0.770 144 P CB 0.575 32.307 31.700 0.053 0.000 0.837 145 E N -0.049 120.163 120.200 0.019 0.000 2.274 145 E HA -0.110 4.240 4.350 0.000 0.000 0.194 145 E C 0.942 177.557 176.600 0.026 0.000 0.996 145 E CA 0.602 57.037 56.400 0.059 0.000 0.840 145 E CB -0.143 29.561 29.700 0.006 0.000 0.772 145 E HN 0.307 nan 8.360 nan 0.000 0.491 146 Q N 2.270 122.045 119.800 -0.042 0.000 2.295 146 Q HA 0.020 4.360 4.340 0.000 0.000 0.259 146 Q C -0.788 175.217 176.000 0.007 0.000 0.976 146 Q CA -0.185 55.590 55.803 -0.047 0.000 0.923 146 Q CB 0.787 29.478 28.738 -0.078 0.000 1.185 146 Q HN -0.192 nan 8.270 nan 0.000 0.410 147 D N 6.189 126.612 120.400 0.038 0.000 2.358 147 D HA 0.046 4.686 4.640 0.000 0.000 0.258 147 D C -1.668 174.643 176.300 0.018 0.000 1.223 147 D CA -1.858 52.164 54.000 0.036 0.000 0.886 147 D CB 1.246 42.081 40.800 0.058 0.000 1.120 147 D HN 0.452 nan 8.370 nan 0.000 0.482 148 P HA -0.088 nan 4.420 nan 0.000 0.225 148 P C 1.228 178.524 177.300 -0.005 0.000 1.148 148 P CA 0.608 63.702 63.100 -0.011 0.000 0.779 148 P CB 0.312 31.993 31.700 -0.032 0.000 0.780 149 L N -1.054 120.170 121.223 0.002 0.000 2.592 149 L HA 0.182 4.522 4.340 0.000 0.000 0.227 149 L C 1.450 178.328 176.870 0.013 0.000 1.127 149 L CA 0.220 55.062 54.840 0.002 0.000 0.884 149 L CB -0.151 41.906 42.059 -0.002 0.000 1.065 149 L HN -0.156 nan 8.230 nan 0.000 0.457 150 R N -0.338 120.179 120.500 0.029 0.000 2.688 150 R HA 0.215 4.555 4.340 0.000 0.000 0.396 150 R C -0.464 175.884 176.300 0.079 0.000 1.081 150 R CA -0.256 55.874 56.100 0.050 0.000 1.093 150 R CB 0.353 30.687 30.300 0.057 0.000 1.338 150 R HN 0.040 nan 8.270 nan 0.000 0.613 151 N N 0.559 119.281 118.700 0.038 0.000 2.471 151 N HA 0.399 5.139 4.740 0.000 0.000 0.288 151 N C -0.686 174.733 175.510 -0.150 0.000 1.220 151 N CA -0.669 52.388 53.050 0.012 0.000 0.893 151 N CB 1.302 39.799 38.487 0.017 0.000 1.256 151 N HN 0.082 nan 8.380 nan 0.000 0.534 152 L N 2.037 123.033 121.223 -0.379 0.000 2.494 152 L HA 0.200 4.540 4.340 0.000 0.000 0.251 152 L C 1.475 178.192 176.870 -0.255 0.000 1.119 152 L CA -0.259 54.253 54.840 -0.546 0.000 1.026 152 L CB 0.442 41.777 42.059 -1.207 0.000 1.370 152 L HN 0.649 nan 8.230 nan 0.000 0.426 153 S N -0.133 115.493 115.700 -0.123 0.000 2.440 153 S HA -0.130 4.340 4.470 0.000 0.000 0.238 153 S C 1.634 176.208 174.600 -0.044 0.000 1.010 153 S CA 1.240 59.411 58.200 -0.050 0.000 0.972 153 S CB -0.116 63.060 63.200 -0.040 0.000 0.774 153 S HN 0.633 nan 8.310 nan 0.000 0.501 154 G N 0.008 108.762 108.800 -0.075 0.000 3.088 154 G HA2 0.184 4.144 3.960 0.000 0.000 0.217 154 G HA3 0.184 4.144 3.960 0.000 0.000 0.217 154 G C 0.435 175.316 174.900 -0.032 0.000 1.159 154 G CA -0.383 44.688 45.100 -0.050 0.000 0.760 154 G HN 0.344 nan 8.290 nan 0.000 0.550 155 Q N 0.605 120.370 119.800 -0.059 0.000 2.364 155 Q HA 0.554 4.894 4.340 0.000 0.000 0.267 155 Q C -0.186 175.851 176.000 0.062 0.000 0.999 155 Q CA 0.272 56.071 55.803 -0.006 0.000 0.886 155 Q CB 1.516 30.240 28.738 -0.023 0.000 1.243 155 Q HN 0.285 nan 8.270 nan 0.000 0.415 156 A N 1.703 124.570 122.820 0.079 0.000 2.606 156 A HA 0.704 5.024 4.320 0.000 0.000 0.293 156 A C -1.071 176.573 177.584 0.100 0.000 1.082 156 A CA -0.492 51.594 52.037 0.082 0.000 0.685 156 A CB 1.177 20.217 19.000 0.067 0.000 1.284 156 A HN 0.470 nan 8.150 nan 0.000 0.408 157 V N -1.998 117.982 119.914 0.111 0.000 3.074 157 V HA 0.969 5.089 4.120 0.000 0.000 0.314 157 V C -0.435 175.752 176.094 0.156 0.000 1.117 157 V CA -0.603 61.782 62.300 0.142 0.000 1.014 157 V CB 1.685 33.608 31.823 0.167 0.000 1.057 157 V HN 0.931 nan 8.190 nan 0.000 0.438 158 T N 2.353 117.008 114.554 0.168 0.000 2.840 158 T HA 0.560 4.910 4.350 0.000 0.000 0.287 158 T C -0.358 174.414 174.700 0.120 0.000 0.991 158 T CA -0.474 61.717 62.100 0.151 0.000 0.964 158 T CB 1.064 70.051 68.868 0.197 0.000 0.954 158 T HN 0.765 nan 8.240 nan 0.000 0.438 159 R N 2.516 123.074 120.500 0.097 0.000 2.505 159 R HA 0.555 4.895 4.340 0.000 0.000 0.284 159 R C -0.522 175.809 176.300 0.052 0.000 1.324 159 R CA -0.586 55.545 56.100 0.053 0.000 1.432 159 R CB 0.664 30.981 30.300 0.029 0.000 1.107 159 R HN 0.516 nan 8.270 nan 0.000 0.587 160 V N -2.047 117.897 119.914 0.050 0.000 2.925 160 V HA 0.454 4.574 4.120 0.000 0.000 0.311 160 V C 0.300 176.415 176.094 0.034 0.000 1.104 160 V CA -1.191 61.136 62.300 0.045 0.000 0.954 160 V CB 2.015 33.871 31.823 0.055 0.000 1.022 160 V HN 0.110 nan 8.190 nan 0.000 0.427 161 V N 4.010 123.944 119.914 0.032 0.000 2.583 161 V HA 0.399 4.519 4.120 0.000 0.000 0.302 161 V C 1.772 177.882 176.094 0.027 0.000 1.033 161 V CA 2.107 64.426 62.300 0.031 0.000 1.194 161 V CB -0.186 31.656 31.823 0.032 0.000 0.879 161 V HN 2.020 nan 8.190 nan 0.000 0.482 162 G N 3.083 111.894 108.800 0.019 0.000 2.232 162 G HA2 0.019 3.979 3.960 0.000 0.000 0.226 162 G HA3 0.019 3.979 3.960 0.000 0.000 0.226 162 G C 1.041 175.915 174.900 -0.044 0.000 0.996 162 G CA 0.303 45.400 45.100 -0.004 0.000 0.626 162 G HN 2.204 nan 8.290 nan 0.000 0.509 163 G N 0.278 109.067 108.800 -0.018 0.000 2.574 163 G HA2 -0.253 3.707 3.960 0.000 0.000 0.282 163 G HA3 -0.253 3.707 3.960 0.000 0.000 0.282 163 G C 1.189 176.042 174.900 -0.078 0.000 1.257 163 G CA 1.221 46.307 45.100 -0.024 0.000 0.956 163 G HN 1.125 nan 8.290 nan 0.000 0.560 164 M N 1.444 120.965 119.600 -0.132 0.000 2.549 164 M HA -0.022 4.458 4.480 0.000 0.000 0.260 164 M C 2.757 178.714 176.300 -0.572 0.000 1.076 164 M CA 1.810 56.898 55.300 -0.353 0.000 1.090 164 M CB -0.363 32.114 32.600 -0.205 0.000 1.418 164 M HN 0.767 nan 8.290 nan 0.000 0.486 165 S N 0.050 115.457 115.700 -0.488 0.000 2.474 165 S HA -0.095 4.375 4.470 0.000 0.000 0.235 165 S C 1.727 176.164 174.600 -0.272 0.000 0.997 165 S CA 1.403 59.210 58.200 -0.655 0.000 0.949 165 S CB -1.017 61.847 63.200 -0.560 0.000 0.766 165 S HN 0.597 nan 8.310 nan 0.000 0.517 166 T N -0.598 113.819 114.554 -0.228 0.000 3.160 166 T HA 0.048 4.398 4.350 0.000 0.000 0.257 166 T C 1.054 175.611 174.700 -0.237 0.000 1.147 166 T CA 0.759 62.753 62.100 -0.176 0.000 1.064 166 T CB -0.775 68.085 68.868 -0.014 0.000 0.949 166 T HN 0.921 nan 8.240 nan 0.000 0.526 167 H N -2.046 116.893 119.070 -0.219 0.000 3.474 167 H HA 0.197 4.753 4.556 0.000 0.000 0.259 167 H C -0.166 175.261 175.328 0.164 0.000 1.164 167 H CA -1.124 54.954 56.048 0.050 0.000 1.078 167 H CB -0.625 29.169 29.762 0.054 0.000 1.957 167 H HN 0.478 nan 8.280 nan 0.000 0.765 168 W N 2.419 123.541 121.300 -0.297 0.000 2.213 168 W HA 0.514 5.174 4.660 0.000 0.000 0.356 168 W C 0.556 177.040 176.519 -0.059 0.000 1.273 168 W CA -0.518 56.744 57.345 -0.139 0.000 1.391 168 W CB 0.153 29.509 29.460 -0.174 0.000 1.187 168 W HN 0.026 nan 8.180 nan 0.000 0.649 169 S N -1.063 114.410 115.700 -0.379 0.000 2.575 169 S HA 0.099 4.569 4.470 0.000 0.000 0.215 169 S C 0.795 174.912 174.600 -0.805 0.000 0.966 169 S CA 0.382 58.198 58.200 -0.639 0.000 0.911 169 S CB -1.005 61.921 63.200 -0.457 0.000 0.780 169 S HN 0.705 nan 8.310 nan 0.000 0.514 170 C N 0.823 119.269 119.300 -1.423 0.000 4.497 170 C HA -0.119 4.342 4.460 0.000 0.000 0.268 170 C C 1.139 175.640 174.990 -0.814 0.000 1.343 170 C CA -0.129 57.830 59.018 -1.764 0.000 1.742 170 C CB -2.696 24.495 27.740 -0.914 0.000 1.450 170 C HN 0.942 nan 8.230 nan 0.000 0.733 171 A N 0.968 123.526 122.820 -0.437 0.000 2.409 171 A HA 0.578 4.898 4.320 0.000 0.000 0.267 171 A C 0.767 178.284 177.584 -0.112 0.000 1.127 171 A CA 1.080 53.013 52.037 -0.173 0.000 0.795 171 A CB 0.232 19.207 19.000 -0.042 0.000 1.061 171 A HN 1.431 nan 8.150 nan 0.000 0.502 172 T N 1.296 115.804 114.554 -0.078 0.000 3.542 172 T HA 0.501 4.851 4.350 0.000 0.000 0.276 172 T C -2.685 171.981 174.700 -0.057 0.000 1.412 172 T CA -1.264 60.822 62.100 -0.023 0.000 1.664 172 T CB 0.614 69.504 68.868 0.037 0.000 0.863 172 T HN 0.467 nan 8.240 nan 0.000 0.661 173 P HA 0.406 nan 4.420 nan 0.000 0.279 173 P C -0.271 176.886 177.300 -0.239 0.000 1.252 173 P CA -0.672 62.340 63.100 -0.147 0.000 0.811 173 P CB 1.165 32.766 31.700 -0.165 0.000 1.035 174 R N 0.595 120.859 120.500 -0.392 0.000 2.641 174 R HA 0.353 4.693 4.340 0.000 0.000 0.269 174 R C 0.061 176.251 176.300 -0.184 0.000 1.074 174 R CA -0.299 55.368 56.100 -0.721 0.000 1.133 174 R CB 0.053 29.858 30.300 -0.824 0.000 1.029 174 R HN 0.376 nan 8.270 nan 0.000 0.488 175 F N 2.031 121.746 119.950 -0.390 0.000 2.384 175 F HA 0.051 4.578 4.527 0.000 0.000 0.338 175 F C 1.033 176.661 175.800 -0.287 0.000 1.103 175 F CA -1.473 56.340 58.000 -0.311 0.000 1.157 175 F CB 0.397 39.214 39.000 -0.305 0.000 1.167 175 F HN 0.554 nan 8.300 nan 0.000 0.529 176 D N 2.568 122.879 120.400 -0.148 0.000 2.398 176 D HA 0.116 4.756 4.640 0.000 0.000 0.247 176 D C 1.094 177.300 176.300 -0.156 0.000 1.227 176 D CA -0.403 53.512 54.000 -0.142 0.000 0.980 176 D CB 0.550 41.263 40.800 -0.144 0.000 1.106 176 D HN 0.459 nan 8.370 nan 0.000 0.493 177 R N -0.177 120.257 120.500 -0.111 0.000 2.113 177 R HA -0.206 4.134 4.340 0.000 0.000 0.244 177 R C 1.884 178.120 176.300 -0.106 0.000 1.142 177 R CA 1.896 57.941 56.100 -0.092 0.000 0.953 177 R CB -0.381 29.898 30.300 -0.035 0.000 0.860 177 R HN 0.549 nan 8.270 nan 0.000 0.438 178 E N 0.493 120.618 120.200 -0.124 0.000 2.209 178 E HA -0.173 4.177 4.350 0.000 0.000 0.196 178 E C 1.541 178.031 176.600 -0.183 0.000 0.993 178 E CA 1.120 57.449 56.400 -0.119 0.000 0.819 178 E CB 0.033 29.677 29.700 -0.094 0.000 0.745 178 E HN 0.420 nan 8.360 nan 0.000 0.477 179 Q N -0.477 119.140 119.800 -0.305 0.000 2.319 179 Q HA 0.166 4.506 4.340 0.000 0.000 0.202 179 Q C 0.219 176.168 176.000 -0.084 0.000 0.896 179 Q CA -0.120 55.477 55.803 -0.343 0.000 0.942 179 Q CB 0.663 28.946 28.738 -0.757 0.000 1.083 179 Q HN -0.041 nan 8.270 nan 0.000 0.510 180 R N 1.890 122.350 120.500 -0.067 0.000 2.534 180 R HA 0.329 4.669 4.340 0.000 0.000 0.301 180 R C -2.633 173.634 176.300 -0.054 0.000 0.961 180 R CA -2.107 53.933 56.100 -0.101 0.000 0.871 180 R CB 1.282 31.371 30.300 -0.352 0.000 1.170 180 R HN -0.138 nan 8.270 nan 0.000 0.446 181 P HA -0.014 nan 4.420 nan 0.000 0.268 181 P C -0.567 176.855 177.300 0.203 0.000 1.208 181 P CA 0.037 63.197 63.100 0.100 0.000 0.777 181 P CB 0.646 32.420 31.700 0.123 0.000 0.875 182 L N 2.508 123.823 121.223 0.153 0.000 2.331 182 L HA 0.162 4.502 4.340 0.000 0.000 0.278 182 L C 1.790 178.766 176.870 0.176 0.000 1.106 182 L CA -0.277 54.709 54.840 0.243 0.000 0.824 182 L CB 0.296 42.532 42.059 0.295 0.000 1.142 182 L HN 0.344 nan 8.230 nan 0.000 0.443 183 L N 3.579 124.957 121.223 0.258 0.000 2.408 183 L HA 0.184 4.524 4.340 0.000 0.000 0.215 183 L C -0.075 176.950 176.870 0.258 0.000 1.081 183 L CA 0.367 55.255 54.840 0.079 0.000 0.840 183 L CB 0.549 42.469 42.059 -0.232 0.000 1.002 183 L HN 0.339 nan 8.230 nan 0.000 0.468 184 V N 0.409 120.493 119.914 0.282 0.000 2.525 184 V HA 0.266 4.386 4.120 0.000 0.000 0.299 184 V C -0.128 176.083 176.094 0.195 0.000 1.034 184 V CA -1.009 61.419 62.300 0.213 0.000 0.863 184 V CB 2.089 33.971 31.823 0.098 0.000 0.999 184 V HN 0.053 nan 8.190 nan 0.000 0.423 185 K N 2.291 122.708 120.400 0.028 0.000 2.154 185 K HA 0.186 4.506 4.320 0.000 0.000 0.264 185 K C 0.144 176.734 176.600 -0.015 0.000 1.008 185 K CA -0.232 56.038 56.287 -0.029 0.000 0.937 185 K CB 0.400 32.713 32.500 -0.311 0.000 1.002 185 K HN 0.828 nan 8.250 nan 0.000 0.469 186 D N 2.128 122.537 120.400 0.015 0.000 2.692 186 D HA -0.227 4.413 4.640 0.000 0.000 0.233 186 D C -0.938 175.370 176.300 0.014 0.000 1.172 186 D CA 1.338 55.344 54.000 0.010 0.000 0.636 186 D CB -0.557 40.232 40.800 -0.017 0.000 1.028 186 D HN 0.551 nan 8.370 nan 0.000 0.419 187 D N -1.675 118.746 120.400 0.035 0.000 2.251 187 D HA 0.330 4.970 4.640 0.000 0.000 0.210 187 D C 0.379 176.714 176.300 0.057 0.000 1.304 187 D CA 0.085 54.107 54.000 0.036 0.000 0.912 187 D CB 0.592 41.407 40.800 0.025 0.000 1.553 187 D HN -0.022 nan 8.370 nan 0.000 0.526 188 A N 3.028 125.883 122.820 0.057 0.000 1.935 188 A HA -0.005 4.315 4.320 0.000 0.000 0.214 188 A C 1.546 179.174 177.584 0.074 0.000 1.178 188 A CA 1.035 53.115 52.037 0.072 0.000 0.640 188 A CB -0.006 19.030 19.000 0.060 0.000 0.825 188 A HN 0.497 nan 8.150 nan 0.000 0.447 189 D N 0.767 121.201 120.400 0.056 0.000 2.123 189 D HA -0.119 4.521 4.640 0.000 0.000 0.196 189 D C 2.094 178.429 176.300 0.058 0.000 0.992 189 D CA 1.729 55.761 54.000 0.054 0.000 0.833 189 D CB -0.446 40.377 40.800 0.039 0.000 0.954 189 D HN 0.430 nan 8.370 nan 0.000 0.455 190 A N 0.498 123.349 122.820 0.051 0.000 2.014 190 A HA -0.149 4.171 4.320 0.000 0.000 0.218 190 A C 1.897 179.517 177.584 0.060 0.000 1.163 190 A CA 1.622 53.685 52.037 0.043 0.000 0.652 190 A CB -0.401 18.616 19.000 0.029 0.000 0.808 190 A HN 0.132 nan 8.150 nan 0.000 0.449 191 D N 0.134 120.593 120.400 0.098 0.000 2.084 191 D HA -0.153 4.487 4.640 0.000 0.000 0.196 191 D C 1.271 177.707 176.300 0.227 0.000 0.985 191 D CA 1.581 55.681 54.000 0.166 0.000 0.826 191 D CB -0.118 40.809 40.800 0.212 0.000 0.978 191 D HN 0.317 nan 8.370 nan 0.000 0.456 192 D N 0.002 120.514 120.400 0.188 0.000 2.106 192 D HA -0.171 4.469 4.640 0.000 0.000 0.191 192 D C 2.021 178.421 176.300 0.167 0.000 0.997 192 D CA 1.648 55.763 54.000 0.193 0.000 0.834 192 D CB -0.748 40.125 40.800 0.122 0.000 0.956 192 D HN 0.314 nan 8.370 nan 0.000 0.448 193 A N 0.704 123.583 122.820 0.099 0.000 1.892 193 A HA -0.278 4.042 4.320 0.000 0.000 0.218 193 A C 2.174 179.775 177.584 0.029 0.000 1.188 193 A CA 2.334 54.406 52.037 0.058 0.000 0.631 193 A CB -0.729 18.291 19.000 0.033 0.000 0.822 193 A HN 0.278 nan 8.150 nan 0.000 0.447 194 E N -1.178 119.017 120.200 -0.009 0.000 2.051 194 E HA -0.204 4.146 4.350 0.000 0.000 0.192 194 E C 1.733 178.211 176.600 -0.204 0.000 0.991 194 E CA 1.566 57.887 56.400 -0.132 0.000 0.799 194 E CB -0.458 29.122 29.700 -0.200 0.000 0.748 194 E HN 0.729 nan 8.360 nan 0.000 0.449 195 W N 0.755 121.998 121.300 -0.095 0.000 2.358 195 W HA -0.100 4.560 4.660 0.000 0.000 0.303 195 W C 2.153 178.629 176.519 -0.072 0.000 1.208 195 W CA 1.272 58.508 57.345 -0.181 0.000 1.274 195 W CB -0.397 28.980 29.460 -0.137 0.000 1.138 195 W HN 0.259 nan 8.180 nan 0.000 0.515 196 D N -0.062 120.491 120.400 0.256 0.000 2.178 196 D HA -0.209 4.431 4.640 0.000 0.000 0.201 196 D C 2.135 178.505 176.300 0.118 0.000 0.980 196 D CA 1.327 55.456 54.000 0.215 0.000 0.842 196 D CB -0.150 40.737 40.800 0.145 0.000 0.948 196 D HN -0.014 nan 8.370 nan 0.000 0.472 197 R N -0.521 119.997 120.500 0.031 0.000 2.090 197 R HA 0.008 4.348 4.340 0.000 0.000 0.228 197 R C 2.296 178.549 176.300 -0.077 0.000 1.110 197 R CA 0.703 56.786 56.100 -0.028 0.000 0.973 197 R CB -0.104 30.161 30.300 -0.059 0.000 0.869 197 R HN 0.255 nan 8.270 nan 0.000 0.440 198 L N -0.626 120.513 121.223 -0.141 0.000 2.072 198 L HA -0.134 4.206 4.340 0.000 0.000 0.205 198 L C 2.167 178.981 176.870 -0.094 0.000 1.079 198 L CA 0.956 55.666 54.840 -0.217 0.000 0.752 198 L CB -0.590 41.221 42.059 -0.414 0.000 0.906 198 L HN 0.142 nan 8.230 nan 0.000 0.436 199 Y N 0.452 120.759 120.300 0.012 0.000 2.224 199 Y HA -0.235 4.315 4.550 0.000 0.000 0.289 199 Y C 2.874 178.757 175.900 -0.027 0.000 1.146 199 Y CA 1.458 59.574 58.100 0.026 0.000 1.182 199 Y CB -1.109 37.401 38.460 0.082 0.000 0.983 199 Y HN 0.125 nan 8.280 nan 0.000 0.524 200 T N -0.489 114.137 114.554 0.120 0.000 2.821 200 T HA -0.143 4.207 4.350 0.000 0.000 0.267 200 T C 2.036 176.711 174.700 -0.040 0.000 1.046 200 T CA 1.195 63.321 62.100 0.044 0.000 1.139 200 T CB -0.057 68.828 68.868 0.029 0.000 0.871 200 T HN 0.206 nan 8.240 nan 0.000 0.454 201 K N 0.808 121.130 120.400 -0.131 0.000 2.025 201 K HA 0.019 4.339 4.320 0.000 0.000 0.207 201 K C 2.592 178.903 176.600 -0.483 0.000 1.049 201 K CA 1.108 57.195 56.287 -0.334 0.000 0.933 201 K CB -0.284 31.961 32.500 -0.425 0.000 0.714 201 K HN 0.265 nan 8.250 nan 0.000 0.438 202 A N 1.405 124.039 122.820 -0.310 0.000 1.940 202 A HA -0.224 4.096 4.320 0.000 0.000 0.219 202 A C 1.854 179.444 177.584 0.009 0.000 1.176 202 A CA 1.742 53.661 52.037 -0.196 0.000 0.631 202 A CB -0.461 18.537 19.000 -0.002 0.000 0.814 202 A HN 0.415 nan 8.150 nan 0.000 0.446 203 E N -0.079 120.161 120.200 0.066 0.000 2.077 203 E HA -0.171 4.179 4.350 0.000 0.000 0.193 203 E C 2.412 179.092 176.600 0.134 0.000 0.989 203 E CA 1.564 58.044 56.400 0.133 0.000 0.800 203 E CB -0.158 29.596 29.700 0.088 0.000 0.746 203 E HN 0.818 nan 8.360 nan 0.000 0.452 204 S N -0.145 115.594 115.700 0.065 0.000 2.406 204 S HA -0.149 4.321 4.470 0.000 0.000 0.228 204 S C 1.906 176.657 174.600 0.252 0.000 1.020 204 S CA 0.591 58.866 58.200 0.124 0.000 0.965 204 S CB -0.362 62.891 63.200 0.089 0.000 0.798 204 S HN 0.205 nan 8.310 nan 0.000 0.488 205 Y N 0.674 120.982 120.300 0.013 0.000 2.181 205 Y HA 0.127 4.677 4.550 0.000 0.000 0.288 205 Y C 2.042 177.952 175.900 0.017 0.000 1.146 205 Y CA -0.037 58.033 58.100 -0.050 0.000 1.164 205 Y CB -1.092 37.254 38.460 -0.190 0.000 0.982 205 Y HN 0.308 nan 8.280 nan 0.000 0.515 206 F N 0.126 120.231 119.950 0.258 0.000 2.710 206 F HA 0.015 4.542 4.527 0.000 0.000 0.298 206 F C 0.865 176.778 175.800 0.188 0.000 1.137 206 F CA 0.328 58.470 58.000 0.236 0.000 1.444 206 F CB -0.301 38.861 39.000 0.269 0.000 1.111 206 F HN -0.002 nan 8.300 nan 0.000 0.580 207 Q N 0.554 120.553 119.800 0.331 0.000 2.478 207 Q HA -0.181 4.159 4.340 0.000 0.000 0.286 207 Q C 0.134 176.232 176.000 0.163 0.000 1.299 207 Q CA 0.780 56.702 55.803 0.198 0.000 0.826 207 Q CB -2.670 26.158 28.738 0.151 0.000 1.199 207 Q HN 0.245 nan 8.270 nan 0.000 0.451 208 T N -0.241 114.425 114.554 0.186 0.000 2.937 208 T HA 0.421 4.771 4.350 0.000 0.000 0.316 208 T C 0.825 175.564 174.700 0.065 0.000 1.079 208 T CA 0.586 62.756 62.100 0.116 0.000 1.131 208 T CB 1.261 70.202 68.868 0.123 0.000 1.000 208 T HN 0.513 nan 8.240 nan 0.000 0.549 209 G N 0.074 108.896 108.800 0.038 0.000 2.677 209 G HA2 0.527 4.487 3.960 0.000 0.000 0.291 209 G HA3 0.527 4.487 3.960 0.000 0.000 0.291 209 G C -0.009 174.906 174.900 0.024 0.000 1.435 209 G CA -0.478 44.633 45.100 0.018 0.000 0.826 209 G HN 0.683 nan 8.290 nan 0.000 0.491 210 T N -2.388 112.180 114.554 0.023 0.000 3.275 210 T HA 0.260 4.610 4.350 0.000 0.000 0.298 210 T C 0.189 174.912 174.700 0.037 0.000 0.988 210 T CA 0.514 62.640 62.100 0.043 0.000 0.936 210 T CB 0.440 69.339 68.868 0.051 0.000 1.159 210 T HN 0.537 nan 8.240 nan 0.000 0.519 211 D N 0.461 120.860 120.400 -0.002 0.000 2.540 211 D HA 0.090 4.730 4.640 0.000 0.000 0.229 211 D C 1.169 177.405 176.300 -0.107 0.000 1.250 211 D CA -0.193 53.789 54.000 -0.030 0.000 0.817 211 D CB 0.053 40.834 40.800 -0.032 0.000 1.060 211 D HN 0.213 nan 8.370 nan 0.000 0.508 212 Q N -0.521 119.196 119.800 -0.138 0.000 2.436 212 Q HA 0.160 4.500 4.340 0.000 0.000 0.209 212 Q C 0.242 175.852 176.000 -0.649 0.000 0.965 212 Q CA 0.865 56.446 55.803 -0.369 0.000 0.910 212 Q CB -0.309 28.161 28.738 -0.447 0.000 0.980 212 Q HN 0.316 nan 8.270 nan 0.000 0.491 213 F N -0.016 119.775 119.950 -0.265 0.000 2.698 213 F HA 0.225 4.752 4.527 0.000 0.000 0.304 213 F C 1.369 176.990 175.800 -0.298 0.000 1.108 213 F CA -0.497 57.305 58.000 -0.330 0.000 1.263 213 F CB 0.405 39.121 39.000 -0.473 0.000 1.013 213 F HN 0.003 nan 8.300 nan 0.000 0.532 214 K N 0.341 120.669 120.400 -0.120 0.000 2.439 214 K HA -0.047 4.273 4.320 0.000 0.000 0.197 214 K C 0.830 177.358 176.600 -0.120 0.000 1.041 214 K CA 1.331 57.608 56.287 -0.017 0.000 0.970 214 K CB -0.005 32.481 32.500 -0.022 0.000 0.773 214 K HN 0.236 nan 8.250 nan 0.000 0.479 215 E N 1.468 121.496 120.200 -0.286 0.000 2.481 215 E HA 0.015 4.365 4.350 0.000 0.000 0.198 215 E C -0.356 176.111 176.600 -0.222 0.000 1.027 215 E CA -0.067 55.964 56.400 -0.615 0.000 0.900 215 E CB 0.817 30.140 29.700 -0.629 0.000 0.993 215 E HN 0.239 nan 8.360 nan 0.000 0.482 216 S N 0.747 116.480 115.700 0.055 0.000 2.499 216 S HA 0.181 4.651 4.470 0.000 0.000 0.275 216 S C 1.293 176.029 174.600 0.227 0.000 1.257 216 S CA -0.463 57.831 58.200 0.157 0.000 1.050 216 S CB 0.484 63.813 63.200 0.215 0.000 0.937 216 S HN 0.105 nan 8.310 nan 0.000 0.490 217 I N 4.761 125.319 120.570 -0.021 0.000 2.252 217 I HA -0.135 4.035 4.170 0.000 0.000 0.245 217 I C 2.715 178.646 176.117 -0.310 0.000 1.102 217 I CA 1.015 62.015 61.300 -0.500 0.000 1.385 217 I CB -0.197 37.234 38.000 -0.948 0.000 1.064 217 I HN 0.690 nan 8.210 nan 0.000 0.414 218 R N -0.405 120.019 120.500 -0.127 0.000 2.066 218 R HA -0.215 4.125 4.340 0.000 0.000 0.232 218 R C 2.390 178.722 176.300 0.053 0.000 1.131 218 R CA 1.694 57.769 56.100 -0.042 0.000 0.955 218 R CB -0.634 29.654 30.300 -0.020 0.000 0.851 218 R HN 0.399 nan 8.270 nan 0.000 0.432 219 H N 1.109 120.200 119.070 0.037 0.000 2.319 219 H HA -0.066 4.490 4.556 0.000 0.000 0.299 219 H C 1.775 177.177 175.328 0.123 0.000 1.092 219 H CA 1.919 58.010 56.048 0.073 0.000 1.302 219 H CB -0.078 29.760 29.762 0.127 0.000 1.373 219 H HN 0.119 nan 8.280 nan 0.000 0.497 220 N N -0.016 118.799 118.700 0.191 0.000 2.270 220 N HA -0.113 4.627 4.740 0.000 0.000 0.181 220 N C 2.031 177.690 175.510 0.248 0.000 1.016 220 N CA 0.961 54.159 53.050 0.247 0.000 0.870 220 N CB -0.176 38.653 38.487 0.570 0.000 0.979 220 N HN 0.335 nan 8.380 nan 0.000 0.431 221 L N 1.281 122.664 121.223 0.266 0.000 2.017 221 L HA -0.102 4.238 4.340 0.000 0.000 0.208 221 L C 2.087 179.019 176.870 0.104 0.000 1.073 221 L CA 1.427 56.437 54.840 0.283 0.000 0.745 221 L CB -0.646 41.531 42.059 0.197 0.000 0.894 221 L HN -0.142 nan 8.230 nan 0.000 0.432 222 V N -0.393 119.530 119.914 0.016 0.000 2.358 222 V HA -0.243 3.877 4.120 0.000 0.000 0.246 222 V C 2.494 178.514 176.094 -0.123 0.000 1.047 222 V CA 1.686 63.958 62.300 -0.048 0.000 1.035 222 V CB -0.747 31.022 31.823 -0.089 0.000 0.658 222 V HN 0.565 nan 8.190 nan 0.000 0.452 223 L N 0.796 121.916 121.223 -0.171 0.000 2.083 223 L HA -0.118 4.222 4.340 0.000 0.000 0.209 223 L C 2.057 178.860 176.870 -0.111 0.000 1.083 223 L CA 2.019 56.744 54.840 -0.192 0.000 0.752 223 L CB -0.862 41.049 42.059 -0.247 0.000 0.899 223 L HN 0.281 nan 8.230 nan 0.000 0.433 224 N N -0.180 118.501 118.700 -0.032 0.000 2.207 224 N HA -0.149 4.591 4.740 0.000 0.000 0.182 224 N C 1.790 177.284 175.510 -0.027 0.000 1.020 224 N CA 1.111 54.161 53.050 0.000 0.000 0.858 224 N CB -0.258 38.252 38.487 0.038 0.000 0.991 224 N HN 0.242 nan 8.380 nan 0.000 0.427 225 K N 1.414 121.797 120.400 -0.028 0.000 2.032 225 K HA 0.026 4.346 4.320 0.000 0.000 0.209 225 K C 1.859 178.416 176.600 -0.072 0.000 1.048 225 K CA 1.091 57.359 56.287 -0.031 0.000 0.927 225 K CB -0.491 32.007 32.500 -0.003 0.000 0.712 225 K HN 0.129 nan 8.250 nan 0.000 0.441 226 L N -0.141 120.965 121.223 -0.194 0.000 2.156 226 L HA -0.129 4.211 4.340 0.000 0.000 0.208 226 L C 2.212 178.919 176.870 -0.272 0.000 1.095 226 L CA 1.484 56.094 54.840 -0.383 0.000 0.770 226 L CB -0.690 40.739 42.059 -1.050 0.000 0.914 226 L HN 0.254 nan 8.230 nan 0.000 0.439 227 T N -0.260 114.194 114.554 -0.167 0.000 2.720 227 T HA -0.233 4.117 4.350 0.000 0.000 0.268 227 T C 1.725 176.489 174.700 0.106 0.000 1.037 227 T CA 1.907 64.058 62.100 0.086 0.000 1.144 227 T CB -0.107 68.812 68.868 0.085 0.000 0.864 227 T HN 0.570 nan 8.240 nan 0.000 0.444 228 E N 0.876 121.098 120.200 0.037 0.000 2.051 228 E HA -0.124 4.226 4.350 0.000 0.000 0.189 228 E C 2.008 178.616 176.600 0.014 0.000 0.979 228 E CA 0.816 57.231 56.400 0.026 0.000 0.803 228 E CB -0.190 29.507 29.700 -0.005 0.000 0.761 228 E HN 0.239 nan 8.360 nan 0.000 0.451 229 E N 0.188 120.380 120.200 -0.013 0.000 2.187 229 E HA -0.199 4.151 4.350 0.000 0.000 0.199 229 E C 0.788 177.258 176.600 -0.216 0.000 1.004 229 E CA 1.219 57.547 56.400 -0.120 0.000 0.813 229 E CB -0.180 29.436 29.700 -0.140 0.000 0.736 229 E HN 0.540 nan 8.360 nan 0.000 0.468 230 Y N 0.112 120.465 120.300 0.087 0.000 2.720 230 Y HA 0.205 4.755 4.550 0.000 0.000 0.277 230 Y C 0.531 176.504 175.900 0.122 0.000 1.144 230 Y CA -0.433 57.756 58.100 0.147 0.000 1.221 230 Y CB 0.391 39.041 38.460 0.318 0.000 1.163 230 Y HN -0.257 nan 8.280 nan 0.000 0.537 231 K N 0.509 121.007 120.400 0.164 0.000 2.447 231 K HA 0.198 4.518 4.320 0.000 0.000 0.281 231 K C 1.225 177.886 176.600 0.102 0.000 1.031 231 K CA 1.171 57.532 56.287 0.123 0.000 1.019 231 K CB 0.053 32.594 32.500 0.069 0.000 0.918 231 K HN 0.603 nan 8.250 nan 0.000 0.476 232 G N 3.160 112.021 108.800 0.101 0.000 2.168 232 G HA2 -0.312 3.648 3.960 0.000 0.000 0.257 232 G HA3 -0.312 3.648 3.960 0.000 0.000 0.257 232 G C 0.382 175.339 174.900 0.095 0.000 0.997 232 G CA 1.008 46.157 45.100 0.081 0.000 0.708 232 G HN 0.766 nan 8.290 nan 0.000 0.520 233 Q N -1.695 118.188 119.800 0.138 0.000 2.563 233 Q HA 0.285 4.625 4.340 0.000 0.000 0.236 233 Q C 1.121 177.209 176.000 0.146 0.000 0.792 233 Q CA 0.084 55.978 55.803 0.153 0.000 0.960 233 Q CB 0.865 29.723 28.738 0.200 0.000 1.304 233 Q HN 0.490 nan 8.270 nan 0.000 0.566 234 R N 0.681 121.278 120.500 0.162 0.000 2.725 234 R HA 0.440 4.781 4.340 0.000 0.000 0.277 234 R C -1.542 174.756 176.300 -0.004 0.000 0.987 234 R CA -0.776 55.316 56.100 -0.013 0.000 0.901 234 R CB 1.706 31.784 30.300 -0.371 0.000 1.207 234 R HN -0.034 nan 8.270 nan 0.000 0.463 235 D N 1.536 121.869 120.400 -0.112 0.000 2.163 235 D HA 0.390 5.030 4.640 0.000 0.000 0.248 235 D C -0.730 175.422 176.300 -0.247 0.000 1.035 235 D CA 0.091 54.063 54.000 -0.046 0.000 0.872 235 D CB 1.251 42.049 40.800 -0.002 0.000 1.183 235 D HN 0.163 nan 8.370 nan 0.000 0.445 236 F N 0.695 120.656 119.950 0.017 0.000 2.546 236 F HA 0.368 4.895 4.527 -0.000 0.000 0.320 236 F C 0.578 176.395 175.800 0.027 0.000 1.076 236 F CA -0.591 57.411 58.000 0.003 0.000 0.928 236 F CB 1.918 40.913 39.000 -0.009 0.000 1.189 236 F HN 0.224 nan 8.300 nan 0.000 0.465 237 Q N 0.258 120.180 119.800 0.203 0.000 2.737 237 Q HA 0.327 4.667 4.340 0.000 0.000 0.307 237 Q C -1.631 174.482 176.000 0.189 0.000 0.905 237 Q CA -1.298 54.605 55.803 0.167 0.000 0.753 237 Q CB 1.816 30.622 28.738 0.112 0.000 1.463 237 Q HN 0.627 nan 8.270 nan 0.000 0.455 238 Q N 0.897 120.828 119.800 0.217 0.000 2.373 238 Q HA 0.272 4.612 4.340 0.000 0.000 0.255 238 Q C -0.518 175.563 176.000 0.135 0.000 0.980 238 Q CA -0.339 55.609 55.803 0.242 0.000 0.882 238 Q CB 0.574 29.433 28.738 0.201 0.000 1.249 238 Q HN 0.596 nan 8.270 nan 0.000 0.438 239 I N 6.053 126.684 120.570 0.102 0.000 2.821 239 I HA -0.045 4.125 4.170 0.000 0.000 0.294 239 I C -1.934 174.216 176.117 0.055 0.000 1.210 239 I CA -1.334 60.002 61.300 0.061 0.000 1.430 239 I CB 0.046 38.056 38.000 0.017 0.000 1.356 239 I HN 0.496 nan 8.210 nan 0.000 0.563 240 P HA 0.313 nan 4.420 nan 0.000 0.276 240 P C -0.907 176.401 177.300 0.013 0.000 1.235 240 P CA -0.050 63.066 63.100 0.026 0.000 0.772 240 P CB 0.705 32.408 31.700 0.004 0.000 0.871 241 L N 2.013 123.254 121.223 0.030 0.000 2.410 241 L HA 0.603 4.943 4.340 0.000 0.000 0.270 241 L C 0.201 177.081 176.870 0.017 0.000 0.983 241 L CA -1.160 53.697 54.840 0.029 0.000 0.822 241 L CB 2.240 44.390 42.059 0.152 0.000 1.285 241 L HN 0.262 nan 8.230 nan 0.000 0.409 242 A N 3.142 125.935 122.820 -0.045 0.000 2.807 242 A HA 0.759 5.079 4.320 0.000 0.000 0.307 242 A C 0.050 177.670 177.584 0.060 0.000 1.532 242 A CA 0.093 52.139 52.037 0.015 0.000 1.215 242 A CB -0.375 18.571 19.000 -0.091 0.000 1.127 242 A HN 0.761 nan 8.150 nan 0.000 0.543 243 A N 1.685 124.506 122.820 0.002 0.000 2.594 243 A HA 0.740 5.060 4.320 0.000 0.000 0.296 243 A C -0.444 177.021 177.584 -0.198 0.000 1.056 243 A CA -0.477 51.460 52.037 -0.165 0.000 0.693 243 A CB 0.848 19.590 19.000 -0.430 0.000 1.278 243 A HN 0.584 nan 8.150 nan 0.000 0.408 244 T N 1.288 115.697 114.554 -0.242 0.000 2.824 244 T HA 0.522 4.872 4.350 0.000 0.000 0.282 244 T C 0.012 174.534 174.700 -0.296 0.000 0.993 244 T CA -0.471 61.503 62.100 -0.210 0.000 0.967 244 T CB 1.346 70.152 68.868 -0.104 0.000 0.960 244 T HN 0.710 nan 8.240 nan 0.000 0.441 245 R N 2.258 122.573 120.500 -0.307 0.000 2.370 245 R HA 0.212 4.552 4.340 0.000 0.000 0.309 245 R C 0.958 177.156 176.300 -0.170 0.000 1.059 245 R CA -0.283 55.629 56.100 -0.312 0.000 0.981 245 R CB 0.310 30.401 30.300 -0.347 0.000 0.972 245 R HN 0.472 nan 8.270 nan 0.000 0.437 246 R N 1.261 121.709 120.500 -0.086 0.000 2.254 246 R HA 0.112 4.452 4.340 0.000 0.000 0.193 246 R C 0.064 176.345 176.300 -0.031 0.000 0.929 246 R CA 0.610 56.698 56.100 -0.020 0.000 1.038 246 R CB 0.560 30.905 30.300 0.075 0.000 1.009 246 R HN 0.757 nan 8.270 nan 0.000 0.512 247 S N -1.397 114.285 115.700 -0.030 0.000 2.595 247 S HA 0.309 4.779 4.470 0.000 0.000 0.270 247 S C -2.687 171.876 174.600 -0.062 0.000 1.145 247 S CA -1.049 57.129 58.200 -0.036 0.000 0.825 247 S CB 2.134 65.335 63.200 0.001 0.000 1.107 247 S HN -0.280 nan 8.310 nan 0.000 0.461 248 P HA 0.006 nan 4.420 nan 0.000 0.223 248 P C 1.085 178.351 177.300 -0.057 0.000 1.144 248 P CA 1.745 64.796 63.100 -0.082 0.000 0.783 248 P CB -0.218 31.452 31.700 -0.050 0.000 0.771 249 T N -6.534 108.019 114.554 -0.002 0.000 3.085 249 T HA 0.280 4.630 4.350 0.000 0.000 0.264 249 T C -0.170 174.582 174.700 0.085 0.000 1.019 249 T CA -0.346 61.775 62.100 0.035 0.000 0.910 249 T CB -0.525 68.383 68.868 0.067 0.000 1.059 249 T HN -0.119 nan 8.240 nan 0.000 0.542 250 F N 1.502 121.382 119.950 -0.116 0.000 2.574 250 F HA 0.649 5.176 4.527 0.000 0.000 0.313 250 F C -1.671 173.986 175.800 -0.239 0.000 1.130 250 F CA -1.272 56.652 58.000 -0.126 0.000 0.936 250 F CB 2.014 40.963 39.000 -0.085 0.000 1.219 250 F HN -0.122 nan 8.300 nan 0.000 0.445 251 V N 5.214 124.605 119.914 -0.870 0.000 2.409 251 V HA 0.290 4.410 4.120 0.000 0.000 0.291 251 V C -0.362 175.121 176.094 -1.019 0.000 1.020 251 V CA -0.859 60.887 62.300 -0.923 0.000 0.848 251 V CB 1.618 32.643 31.823 -1.330 0.000 0.990 251 V HN 0.739 nan 8.190 nan 0.000 0.430 252 E N 4.549 124.452 120.200 -0.496 0.000 1.893 252 E HA 0.142 4.492 4.350 0.000 0.000 0.269 252 E C -1.051 175.382 176.600 -0.279 0.000 1.129 252 E CA -0.532 55.751 56.400 -0.196 0.000 0.904 252 E CB 0.388 30.115 29.700 0.045 0.000 1.077 252 E HN 0.650 nan 8.360 nan 0.000 0.407 253 W N 2.540 123.724 121.300 -0.194 0.000 2.190 253 W HA 0.102 4.762 4.660 -0.000 0.000 0.330 253 W C 0.758 177.280 176.519 0.005 0.000 1.299 253 W CA -0.536 56.670 57.345 -0.231 0.000 1.215 253 W CB 0.887 29.971 29.460 -0.626 0.000 1.147 253 W HN 0.293 nan 8.180 nan 0.000 0.563 254 S N 1.600 117.505 115.700 0.342 0.000 2.614 254 S HA 0.570 5.040 4.470 0.000 0.000 0.265 254 S C 0.159 175.170 174.600 0.685 0.000 1.303 254 S CA -0.534 57.931 58.200 0.441 0.000 1.000 254 S CB 1.167 64.641 63.200 0.457 0.000 0.935 254 S HN 0.519 nan 8.310 nan 0.000 0.551 255 S N -0.324 115.722 115.700 0.577 0.000 2.703 255 S HA 0.666 5.136 4.470 0.000 0.000 0.273 255 S C 0.660 175.447 174.600 0.311 0.000 1.178 255 S CA -0.273 58.203 58.200 0.459 0.000 0.838 255 S CB 0.530 63.935 63.200 0.342 0.000 1.178 255 S HN 0.720 nan 8.310 nan 0.000 0.494 256 A N 1.333 124.235 122.820 0.136 0.000 1.978 256 A HA -0.104 4.216 4.320 0.000 0.000 0.220 256 A C 1.975 179.601 177.584 0.069 0.000 1.170 256 A CA 1.888 53.969 52.037 0.074 0.000 0.636 256 A CB -1.349 17.663 19.000 0.020 0.000 0.810 256 A HN 0.841 nan 8.150 nan 0.000 0.448 257 N N -0.267 118.481 118.700 0.079 0.000 2.309 257 N HA -0.126 4.614 4.740 0.000 0.000 0.182 257 N C 1.344 176.870 175.510 0.027 0.000 1.018 257 N CA 1.841 54.907 53.050 0.028 0.000 0.876 257 N CB -0.158 38.355 38.487 0.043 0.000 0.972 257 N HN 0.441 nan 8.380 nan 0.000 0.434 258 T N 0.189 114.809 114.554 0.110 0.000 2.857 258 T HA -0.013 4.337 4.350 0.000 0.000 0.266 258 T C 2.066 176.793 174.700 0.044 0.000 1.048 258 T CA 0.874 63.043 62.100 0.115 0.000 1.139 258 T CB -0.089 68.922 68.868 0.239 0.000 0.874 258 T HN 0.029 nan 8.240 nan 0.000 0.455 259 V N -0.233 119.691 119.914 0.017 0.000 2.379 259 V HA 0.154 4.274 4.120 0.000 0.000 0.245 259 V C 0.474 176.523 176.094 -0.075 0.000 1.044 259 V CA 0.947 63.180 62.300 -0.113 0.000 1.036 259 V CB -0.401 31.315 31.823 -0.178 0.000 0.664 259 V HN 0.491 nan 8.190 nan 0.000 0.453 260 F N 1.038 120.862 119.950 -0.209 0.000 2.623 260 F HA 0.391 4.918 4.527 -0.000 0.000 0.323 260 F C 0.086 175.765 175.800 -0.202 0.000 1.158 260 F CA -1.649 56.200 58.000 -0.252 0.000 1.030 260 F CB 1.398 40.202 39.000 -0.326 0.000 1.280 260 F HN 0.138 nan 8.300 nan 0.000 0.474 261 D N 4.968 124.848 120.400 -0.867 0.000 2.363 261 D HA -0.023 4.617 4.640 0.000 0.000 0.226 261 D C 1.229 177.187 176.300 -0.570 0.000 1.020 261 D CA 0.910 54.577 54.000 -0.554 0.000 0.892 261 D CB -0.079 40.477 40.800 -0.407 0.000 0.900 261 D HN 0.702 nan 8.370 nan 0.000 0.531 262 L N -1.711 118.931 121.223 -0.968 0.000 4.555 262 L HA -0.246 4.094 4.340 0.000 0.000 0.431 262 L C -0.213 176.550 176.870 -0.177 0.000 1.136 262 L CA 0.473 55.049 54.840 -0.439 0.000 0.972 262 L CB -1.381 40.635 42.059 -0.072 0.000 1.999 262 L HN 0.217 nan 8.230 nan 0.000 0.900 263 Q N 1.198 120.815 119.800 -0.304 0.000 2.289 263 Q HA 0.142 4.482 4.340 0.000 0.000 0.273 263 Q C 0.448 176.464 176.000 0.026 0.000 1.029 263 Q CA 0.212 55.938 55.803 -0.129 0.000 0.896 263 Q CB 0.448 29.083 28.738 -0.172 0.000 1.182 263 Q HN 0.155 nan 8.270 nan 0.000 0.385 264 N N 2.395 121.131 118.700 0.061 0.000 2.407 264 N HA 0.007 4.747 4.740 0.000 0.000 0.250 264 N C -0.108 175.459 175.510 0.096 0.000 1.236 264 N CA 0.527 53.634 53.050 0.096 0.000 0.879 264 N CB 0.562 39.022 38.487 -0.045 0.000 1.088 264 N HN 0.283 nan 8.380 nan 0.000 0.450 265 R N 1.443 122.035 120.500 0.153 0.000 2.892 265 R HA 0.536 4.876 4.340 0.000 0.000 0.265 265 R C -2.276 174.075 176.300 0.085 0.000 1.025 265 R CA -1.544 54.628 56.100 0.120 0.000 0.982 265 R CB 1.239 31.642 30.300 0.170 0.000 1.185 265 R HN 0.386 nan 8.270 nan 0.000 0.484 266 P HA 0.077 nan 4.420 nan 0.000 0.272 266 P C -1.324 176.023 177.300 0.078 0.000 1.223 266 P CA -0.200 62.975 63.100 0.125 0.000 0.784 266 P CB 0.582 32.399 31.700 0.195 0.000 0.923 267 N N -1.588 117.149 118.700 0.061 0.000 3.157 267 N HA 0.283 5.023 4.740 0.000 0.000 0.291 267 N C 0.690 176.213 175.510 0.022 0.000 1.515 267 N CA -0.739 52.329 53.050 0.030 0.000 0.807 267 N CB -0.499 37.992 38.487 0.008 0.000 1.672 267 N HN 0.053 nan 8.380 nan 0.000 0.592 268 T N -0.794 113.763 114.554 0.006 0.000 2.652 268 T HA -0.116 4.234 4.350 0.000 0.000 0.267 268 T C 0.209 174.907 174.700 -0.003 0.000 1.039 268 T CA 1.885 63.985 62.100 0.000 0.000 1.153 268 T CB -0.573 68.290 68.868 -0.007 0.000 0.863 268 T HN 0.549 nan 8.240 nan 0.000 0.428 269 D N 1.120 121.514 120.400 -0.009 0.000 2.355 269 D HA 0.301 4.941 4.640 0.000 0.000 0.218 269 D C 0.581 176.878 176.300 -0.004 0.000 1.004 269 D CA 0.254 54.246 54.000 -0.013 0.000 0.880 269 D CB 0.065 40.850 40.800 -0.026 0.000 0.911 269 D HN 0.419 nan 8.370 nan 0.000 0.528 270 A N 0.857 123.684 122.820 0.011 0.000 3.409 270 A HA 0.321 4.641 4.320 0.000 0.000 0.282 270 A C -1.978 175.643 177.584 0.062 0.000 1.064 270 A CA -0.830 51.227 52.037 0.035 0.000 0.889 270 A CB 0.875 19.901 19.000 0.043 0.000 1.251 270 A HN -0.162 nan 8.150 nan 0.000 0.538 271 P HA -0.079 nan 4.420 nan 0.000 0.226 271 P C 0.396 177.758 177.300 0.103 0.000 1.153 271 P CA 1.203 64.335 63.100 0.054 0.000 0.777 271 P CB 0.473 32.173 31.700 -0.001 0.000 0.794 272 E N -0.330 119.935 120.200 0.109 0.000 2.501 272 E HA 0.162 4.512 4.350 0.000 0.000 0.201 272 E C 0.406 177.191 176.600 0.309 0.000 1.016 272 E CA 0.077 56.585 56.400 0.179 0.000 0.920 272 E CB 0.621 30.344 29.700 0.037 0.000 1.023 272 E HN 0.501 nan 8.360 nan 0.000 0.474 273 E N 0.802 121.143 120.200 0.234 0.000 2.239 273 E HA 0.530 4.880 4.350 0.000 0.000 0.261 273 E C -0.158 176.533 176.600 0.153 0.000 1.016 273 E CA -0.692 55.815 56.400 0.178 0.000 0.882 273 E CB 1.579 31.365 29.700 0.144 0.000 1.190 273 E HN -0.173 nan 8.360 nan 0.000 0.415 274 R N 1.296 121.868 120.500 0.121 0.000 2.518 274 R HA 0.408 4.748 4.340 0.000 0.000 0.296 274 R C -1.654 174.754 176.300 0.180 0.000 1.080 274 R CA -0.472 55.673 56.100 0.075 0.000 0.922 274 R CB 1.020 31.279 30.300 -0.068 0.000 1.184 274 R HN 0.406 nan 8.270 nan 0.000 0.445 275 F N 2.226 122.176 119.950 0.001 0.000 2.604 275 F HA 0.426 4.953 4.527 -0.000 0.000 0.316 275 F C -1.641 174.099 175.800 -0.101 0.000 1.136 275 F CA -0.498 57.492 58.000 -0.017 0.000 0.989 275 F CB 2.003 41.064 39.000 0.102 0.000 1.258 275 F HN 0.412 nan 8.300 nan 0.000 0.451 276 N N 4.912 123.012 118.700 -1.000 0.000 2.249 276 N HA 0.629 5.369 4.740 0.000 0.000 0.296 276 N C -2.116 172.493 175.510 -1.501 0.000 1.051 276 N CA -0.760 51.671 53.050 -1.031 0.000 0.815 276 N CB 2.477 40.440 38.487 -0.872 0.000 1.487 276 N HN 0.520 nan 8.380 nan 0.000 0.475 277 L N 2.307 122.860 121.223 -1.116 0.000 2.317 277 L HA 0.662 5.002 4.340 0.000 0.000 0.281 277 L C -1.758 174.637 176.870 -0.791 0.000 1.024 277 L CA -0.373 54.008 54.840 -0.765 0.000 0.810 277 L CB 0.408 42.341 42.059 -0.210 0.000 1.240 277 L HN 0.481 nan 8.230 nan 0.000 0.427 278 F N 6.003 125.720 119.950 -0.390 0.000 2.532 278 F HA 0.556 5.083 4.527 -0.000 0.000 0.365 278 F C -2.208 173.524 175.800 -0.114 0.000 1.112 278 F CA -1.750 56.096 58.000 -0.258 0.000 1.082 278 F CB 1.034 39.825 39.000 -0.348 0.000 1.319 278 F HN 0.410 nan 8.300 nan 0.000 0.457 279 P HA 0.385 nan 4.420 nan 0.000 0.279 279 P C -0.070 177.277 177.300 0.079 0.000 1.276 279 P CA -0.160 62.977 63.100 0.062 0.000 0.801 279 P CB 0.998 32.718 31.700 0.032 0.000 1.127 280 A N -1.783 121.068 122.820 0.052 0.000 2.869 280 A HA -0.098 4.222 4.320 0.000 0.000 0.280 280 A C -0.083 177.516 177.584 0.025 0.000 1.458 280 A CA 0.679 52.738 52.037 0.036 0.000 0.776 280 A CB -2.424 16.600 19.000 0.039 0.000 1.028 280 A HN 0.240 nan 8.150 nan 0.000 0.547 281 V N -0.235 119.705 119.914 0.044 0.000 2.444 281 V HA 0.684 4.804 4.120 0.000 0.000 0.294 281 V C 0.575 176.646 176.094 -0.038 0.000 1.022 281 V CA -0.261 62.057 62.300 0.031 0.000 0.850 281 V CB 1.657 33.590 31.823 0.182 0.000 0.992 281 V HN 1.469 nan 8.190 nan 0.000 0.426 282 A N 4.354 127.119 122.820 -0.093 0.000 2.302 282 A HA 0.489 4.809 4.320 0.000 0.000 0.295 282 A C 0.037 177.565 177.584 -0.093 0.000 1.235 282 A CA -0.200 51.773 52.037 -0.107 0.000 0.876 282 A CB -0.021 18.954 19.000 -0.042 0.000 1.133 282 A HN 0.864 nan 8.150 nan 0.000 0.533 283 C N 2.694 121.920 119.300 -0.124 0.000 2.347 283 C HA 0.374 4.834 4.460 0.000 0.000 0.353 283 C C 1.350 176.293 174.990 -0.078 0.000 1.273 283 C CA -0.167 58.772 59.018 -0.132 0.000 1.861 283 C CB -0.229 27.428 27.740 -0.138 0.000 2.420 283 C HN 1.042 nan 8.230 nan 0.000 0.542 284 E N 0.775 120.959 120.200 -0.026 0.000 2.399 284 E HA 0.110 4.460 4.350 0.000 0.000 0.205 284 E C 0.266 176.864 176.600 -0.003 0.000 0.906 284 E CA 0.235 56.642 56.400 0.012 0.000 0.998 284 E CB 0.498 30.261 29.700 0.105 0.000 1.002 284 E HN 0.801 nan 8.360 nan 0.000 0.501 285 R N -0.755 119.750 120.500 0.008 0.000 3.197 285 R HA 0.257 4.597 4.340 0.000 0.000 0.261 285 R C -1.267 175.028 176.300 -0.008 0.000 1.015 285 R CA -0.827 55.267 56.100 -0.011 0.000 0.949 285 R CB 0.269 30.555 30.300 -0.023 0.000 1.256 285 R HN -0.077 nan 8.270 nan 0.000 0.514 286 V N -0.172 119.718 119.914 -0.041 0.000 2.472 286 V HA 0.653 4.773 4.120 0.000 0.000 0.290 286 V C 0.224 176.272 176.094 -0.076 0.000 1.037 286 V CA -0.951 61.293 62.300 -0.093 0.000 0.908 286 V CB 1.644 33.362 31.823 -0.175 0.000 0.985 286 V HN 0.518 nan 8.190 nan 0.000 0.454 287 V N 5.578 125.437 119.914 -0.092 0.000 2.461 287 V HA 0.395 4.515 4.120 0.000 0.000 0.275 287 V C 0.716 176.782 176.094 -0.048 0.000 1.047 287 V CA -0.295 61.967 62.300 -0.062 0.000 0.955 287 V CB 0.686 32.487 31.823 -0.036 0.000 0.988 287 V HN 0.928 nan 8.190 nan 0.000 0.471 288 R N 3.687 124.174 120.500 -0.021 0.000 2.459 288 R HA 0.325 4.665 4.340 0.000 0.000 0.281 288 R C 0.244 176.574 176.300 0.050 0.000 1.050 288 R CA -0.650 55.494 56.100 0.074 0.000 1.055 288 R CB 0.679 31.011 30.300 0.053 0.000 1.045 288 R HN 0.869 nan 8.270 nan 0.000 0.495 289 N N 1.337 120.083 118.700 0.077 0.000 2.354 289 N HA 0.020 4.760 4.740 0.000 0.000 0.246 289 N C 0.680 176.188 175.510 -0.004 0.000 1.285 289 N CA 0.185 53.250 53.050 0.025 0.000 0.925 289 N CB 0.437 38.935 38.487 0.019 0.000 1.174 289 N HN 0.569 nan 8.380 nan 0.000 0.478 290 A N 0.725 123.536 122.820 -0.015 0.000 1.903 290 A HA -0.155 4.165 4.320 0.000 0.000 0.219 290 A C 2.150 179.709 177.584 -0.043 0.000 1.191 290 A CA 1.362 53.384 52.037 -0.025 0.000 0.638 290 A CB -1.029 17.958 19.000 -0.020 0.000 0.823 290 A HN 0.684 nan 8.150 nan 0.000 0.451 291 L N -1.128 120.059 121.223 -0.060 0.000 2.551 291 L HA -0.074 4.266 4.340 0.000 0.000 0.228 291 L C -0.011 176.771 176.870 -0.146 0.000 1.153 291 L CA 0.234 55.020 54.840 -0.089 0.000 0.851 291 L CB -0.512 41.490 42.059 -0.094 0.000 0.959 291 L HN 0.460 nan 8.230 nan 0.000 0.451 292 N N 0.246 118.852 118.700 -0.157 0.000 2.714 292 N HA -0.177 4.563 4.740 0.000 0.000 0.253 292 N C 0.924 175.945 175.510 -0.815 0.000 1.024 292 N CA 1.021 53.889 53.050 -0.303 0.000 0.726 292 N CB -1.106 37.318 38.487 -0.106 0.000 0.908 292 N HN 0.508 nan 8.380 nan 0.000 0.542 293 S N -2.060 113.262 115.700 -0.629 0.000 2.578 293 S HA 0.257 4.727 4.470 0.000 0.000 0.228 293 S C 0.320 174.655 174.600 -0.441 0.000 1.022 293 S CA -0.148 57.675 58.200 -0.628 0.000 0.967 293 S CB 1.491 64.533 63.200 -0.263 0.000 0.914 293 S HN 0.406 nan 8.310 nan 0.000 0.515 294 E N 0.285 120.370 120.200 -0.192 0.000 2.372 294 E HA 0.431 4.781 4.350 0.000 0.000 0.279 294 E C -1.634 175.156 176.600 0.317 0.000 0.946 294 E CA -0.884 55.623 56.400 0.178 0.000 0.769 294 E CB 1.330 31.101 29.700 0.119 0.000 1.230 294 E HN 0.107 nan 8.360 nan 0.000 0.442 295 I N 3.555 124.266 120.570 0.233 0.000 2.395 295 I HA 0.124 4.294 4.170 0.000 0.000 0.289 295 I C 0.905 176.954 176.117 -0.113 0.000 1.023 295 I CA 0.103 61.344 61.300 -0.097 0.000 1.350 295 I CB 1.149 38.780 38.000 -0.614 0.000 1.409 295 I HN 0.685 nan 8.210 nan 0.000 0.507 296 E N 3.361 123.511 120.200 -0.083 0.000 2.340 296 E HA 0.075 4.425 4.350 0.000 0.000 0.198 296 E C 0.301 176.966 176.600 0.108 0.000 0.961 296 E CA 0.374 56.807 56.400 0.054 0.000 0.905 296 E CB 0.581 30.310 29.700 0.048 0.000 0.884 296 E HN 0.722 nan 8.360 nan 0.000 0.491 297 S N -0.258 115.441 115.700 -0.002 0.000 2.595 297 S HA 0.442 4.912 4.470 0.000 0.000 0.270 297 S C -1.475 173.164 174.600 0.065 0.000 1.145 297 S CA -1.097 57.191 58.200 0.146 0.000 0.825 297 S CB 1.211 64.490 63.200 0.131 0.000 1.107 297 S HN 0.030 nan 8.310 nan 0.000 0.461 298 L N 2.012 123.352 121.223 0.195 0.000 2.287 298 L HA 0.678 5.018 4.340 0.000 0.000 0.287 298 L C -0.659 176.229 176.870 0.030 0.000 1.022 298 L CA -0.074 54.819 54.840 0.088 0.000 0.814 298 L CB 0.916 43.035 42.059 0.100 0.000 1.217 298 L HN 0.989 nan 8.230 nan 0.000 0.420 299 H N 5.518 124.549 119.070 -0.064 0.000 2.604 299 H HA 0.563 5.119 4.556 0.000 0.000 0.306 299 H C -0.445 174.830 175.328 -0.088 0.000 1.075 299 H CA -0.201 55.811 56.048 -0.060 0.000 1.357 299 H CB 0.594 30.327 29.762 -0.049 0.000 1.426 299 H HN 0.686 nan 8.280 nan 0.000 0.470 300 I N 1.799 122.098 120.570 -0.453 0.000 2.693 300 I HA 0.401 4.571 4.170 0.000 0.000 0.303 300 I C -1.002 175.002 176.117 -0.188 0.000 1.025 300 I CA -0.977 60.139 61.300 -0.307 0.000 1.086 300 I CB 2.381 40.135 38.000 -0.410 0.000 1.268 300 I HN 0.626 nan 8.210 nan 0.000 0.440 301 H N 3.282 122.262 119.070 -0.149 0.000 2.646 301 H HA 0.298 4.854 4.556 -0.000 0.000 0.328 301 H C -1.548 173.792 175.328 0.021 0.000 0.998 301 H CA -0.587 55.426 56.048 -0.058 0.000 1.225 301 H CB 1.717 31.464 29.762 -0.026 0.000 1.457 301 H HN 0.832 nan 8.280 nan 0.000 0.505 302 D N 5.184 125.600 120.400 0.026 0.000 2.336 302 D HA 0.053 4.693 4.640 0.000 0.000 0.249 302 D C 1.078 177.254 176.300 -0.206 0.000 1.213 302 D CA -0.240 53.754 54.000 -0.010 0.000 0.870 302 D CB 0.860 41.803 40.800 0.239 0.000 1.076 302 D HN 0.597 nan 8.370 nan 0.000 0.483 303 L N 3.918 125.002 121.223 -0.231 0.000 2.156 303 L HA -0.113 4.227 4.340 0.000 0.000 0.208 303 L C 1.750 178.576 176.870 -0.072 0.000 1.095 303 L CA 0.237 54.935 54.840 -0.238 0.000 0.770 303 L CB -0.304 41.698 42.059 -0.096 0.000 0.914 303 L HN 0.592 nan 8.230 nan 0.000 0.439 304 I N 0.164 120.724 120.570 -0.017 0.000 2.110 304 I HA -0.224 3.946 4.170 0.000 0.000 0.236 304 I C 2.678 178.817 176.117 0.036 0.000 1.068 304 I CA 2.007 63.319 61.300 0.020 0.000 1.333 304 I CB -1.348 36.672 38.000 0.034 0.000 1.054 304 I HN 0.294 nan 8.210 nan 0.000 0.402 305 S N -0.014 115.720 115.700 0.058 0.000 2.562 305 S HA 0.197 4.667 4.470 0.000 0.000 0.221 305 S C 1.735 176.384 174.600 0.083 0.000 0.975 305 S CA 0.511 58.757 58.200 0.077 0.000 0.918 305 S CB -0.036 63.230 63.200 0.109 0.000 0.772 305 S HN 0.673 nan 8.310 nan 0.000 0.531 306 G N 1.042 109.899 108.800 0.095 0.000 2.179 306 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 306 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 306 G C -0.361 174.643 174.900 0.173 0.000 0.977 306 G CA 0.241 45.443 45.100 0.169 0.000 0.641 306 G HN 0.570 nan 8.290 nan 0.000 0.533 307 D N 0.519 120.976 120.400 0.094 0.000 2.341 307 D HA 0.501 5.141 4.640 0.000 0.000 0.245 307 D C 0.997 177.151 176.300 -0.243 0.000 1.106 307 D CA 0.061 53.970 54.000 -0.152 0.000 0.905 307 D CB 0.608 41.242 40.800 -0.277 0.000 1.202 307 D HN 0.361 nan 8.370 nan 0.000 0.426 308 R N 1.096 121.285 120.500 -0.519 0.000 2.604 308 R HA 0.636 4.976 4.340 0.000 0.000 0.287 308 R C -0.632 175.111 176.300 -0.930 0.000 0.970 308 R CA -0.640 55.163 56.100 -0.495 0.000 0.946 308 R CB 1.165 31.309 30.300 -0.260 0.000 1.127 308 R HN 0.317 nan 8.270 nan 0.000 0.473 309 F N -0.277 119.491 119.950 -0.304 0.000 2.643 309 F HA 0.291 4.818 4.527 -0.000 0.000 0.314 309 F C 0.059 175.707 175.800 -0.253 0.000 1.096 309 F CA -1.084 56.791 58.000 -0.208 0.000 0.953 309 F CB 1.687 40.586 39.000 -0.168 0.000 1.345 309 F HN 0.138 nan 8.300 nan 0.000 0.468 310 E N 2.616 122.888 120.200 0.120 0.000 2.073 310 E HA 0.335 4.685 4.350 0.000 0.000 0.269 310 E C -0.700 175.957 176.600 0.096 0.000 0.917 310 E CA -0.357 56.109 56.400 0.112 0.000 0.757 310 E CB 1.355 31.142 29.700 0.144 0.000 1.111 310 E HN 0.299 nan 8.360 nan 0.000 0.410 311 I N 2.394 122.996 120.570 0.053 0.000 2.365 311 I HA 0.200 4.370 4.170 0.000 0.000 0.291 311 I C 0.769 176.982 176.117 0.160 0.000 1.004 311 I CA -0.435 60.914 61.300 0.082 0.000 1.311 311 I CB 0.594 38.591 38.000 -0.005 0.000 1.401 311 I HN 0.088 nan 8.210 nan 0.000 0.491 312 K N 4.717 125.217 120.400 0.165 0.000 2.185 312 K HA 0.756 5.076 4.320 0.000 0.000 0.269 312 K C -0.637 176.031 176.600 0.113 0.000 0.987 312 K CA -0.435 55.954 56.287 0.170 0.000 0.865 312 K CB 2.192 34.762 32.500 0.117 0.000 1.090 312 K HN 0.794 nan 8.250 nan 0.000 0.450 313 A N 2.242 125.063 122.820 0.001 0.000 2.515 313 A HA 0.320 4.640 4.320 0.000 0.000 0.296 313 A C -0.204 177.248 177.584 -0.220 0.000 1.094 313 A CA -0.691 51.190 52.037 -0.260 0.000 0.718 313 A CB 1.076 19.638 19.000 -0.731 0.000 1.307 313 A HN 0.698 nan 8.150 nan 0.000 0.408 314 D N -0.327 119.977 120.400 -0.159 0.000 2.194 314 D HA 0.094 4.734 4.640 0.000 0.000 0.204 314 D C 0.217 176.369 176.300 -0.247 0.000 0.964 314 D CA 1.582 55.548 54.000 -0.058 0.000 0.846 314 D CB 0.340 41.157 40.800 0.028 0.000 0.962 314 D HN 0.193 nan 8.370 nan 0.000 0.490 315 V N 0.524 120.151 119.914 -0.479 0.000 2.709 315 V HA 0.264 4.384 4.120 0.000 0.000 0.308 315 V C -1.405 174.395 176.094 -0.490 0.000 1.062 315 V CA -0.813 61.222 62.300 -0.441 0.000 0.901 315 V CB 2.101 33.543 31.823 -0.636 0.000 1.003 315 V HN -0.059 nan 8.190 nan 0.000 0.425 316 Y N 3.011 123.304 120.300 -0.012 0.000 2.326 316 Y HA 0.632 5.182 4.550 0.000 0.000 0.331 316 Y C -0.094 175.788 175.900 -0.030 0.000 0.962 316 Y CA -0.884 57.199 58.100 -0.027 0.000 1.167 316 Y CB 1.977 40.425 38.460 -0.020 0.000 1.148 316 Y HN 0.329 nan 8.280 nan 0.000 0.463 317 V N 5.531 125.410 119.914 -0.058 0.000 2.370 317 V HA 0.372 4.492 4.120 0.000 0.000 0.283 317 V C -0.247 175.731 176.094 -0.193 0.000 1.023 317 V CA -0.865 61.288 62.300 -0.246 0.000 0.857 317 V CB 1.409 32.876 31.823 -0.593 0.000 0.985 317 V HN 0.590 nan 8.190 nan 0.000 0.443 318 L N 5.367 126.477 121.223 -0.189 0.000 2.277 318 L HA 0.493 4.833 4.340 0.000 0.000 0.284 318 L C 0.346 177.133 176.870 -0.139 0.000 1.028 318 L CA -0.206 54.542 54.840 -0.152 0.000 0.835 318 L CB 1.313 43.265 42.059 -0.178 0.000 1.215 318 L HN 0.787 nan 8.230 nan 0.000 0.425 319 T N -1.547 112.956 114.554 -0.085 0.000 3.438 319 T HA 0.421 4.771 4.350 0.000 0.000 0.244 319 T C 0.675 175.394 174.700 0.031 0.000 1.269 319 T CA -0.245 61.849 62.100 -0.010 0.000 1.371 319 T CB 1.080 69.954 68.868 0.010 0.000 1.002 319 T HN 0.540 nan 8.240 nan 0.000 0.637 320 A N 0.800 123.647 122.820 0.045 0.000 2.387 320 A HA 0.799 5.119 4.320 0.000 0.000 0.234 320 A C 1.311 178.984 177.584 0.150 0.000 1.253 320 A CA 0.002 52.087 52.037 0.080 0.000 0.894 320 A CB -0.588 18.450 19.000 0.064 0.000 0.963 320 A HN 1.662 nan 8.150 nan 0.000 0.508 321 G N -2.434 106.451 108.800 0.141 0.000 2.619 321 G HA2 0.286 4.246 3.960 0.000 0.000 0.686 321 G HA3 0.286 4.246 3.960 0.000 0.000 0.686 321 G C 0.731 175.744 174.900 0.188 0.000 1.256 321 G CA -0.302 44.891 45.100 0.155 0.000 0.826 321 G HN 1.259 nan 8.290 nan 0.000 0.619 322 A N -0.465 122.457 122.820 0.171 0.000 1.972 322 A HA 0.229 4.549 4.320 0.000 0.000 0.219 322 A C 2.634 180.332 177.584 0.190 0.000 1.169 322 A CA 3.128 55.273 52.037 0.180 0.000 0.635 322 A CB -0.332 18.746 19.000 0.130 0.000 0.810 322 A HN 1.567 nan 8.150 nan 0.000 0.446 323 V N -1.045 118.940 119.914 0.118 0.000 2.346 323 V HA -0.187 3.933 4.120 0.000 0.000 0.244 323 V C 2.212 178.355 176.094 0.080 0.000 1.037 323 V CA 2.123 64.461 62.300 0.063 0.000 1.029 323 V CB -0.912 30.845 31.823 -0.109 0.000 0.663 323 V HN 0.740 nan 8.190 nan 0.000 0.454 324 H N -0.535 118.615 119.070 0.134 0.000 2.502 324 H HA -0.014 4.542 4.556 0.000 0.000 0.283 324 H C 2.252 177.578 175.328 -0.002 0.000 1.015 324 H CA 0.853 56.933 56.048 0.053 0.000 1.298 324 H CB 0.179 29.954 29.762 0.022 0.000 1.411 324 H HN 0.315 nan 8.280 nan 0.000 0.556 325 N N -0.102 118.683 118.700 0.142 0.000 2.058 325 N HA -0.123 4.617 4.740 0.000 0.000 0.191 325 N C 1.812 177.310 175.510 -0.020 0.000 1.037 325 N CA 1.802 54.861 53.050 0.015 0.000 0.848 325 N CB -0.532 37.941 38.487 -0.024 0.000 1.021 325 N HN 0.280 nan 8.380 nan 0.000 0.422 326 T N 1.109 115.731 114.554 0.113 0.000 2.652 326 T HA -0.220 4.130 4.350 0.000 0.000 0.267 326 T C 1.826 176.448 174.700 -0.129 0.000 1.039 326 T CA 1.397 63.578 62.100 0.136 0.000 1.153 326 T CB -0.446 68.636 68.868 0.357 0.000 0.863 326 T HN 0.350 nan 8.240 nan 0.000 0.428 327 Q N 0.091 119.652 119.800 -0.399 0.000 2.118 327 Q HA -0.195 4.145 4.340 0.000 0.000 0.211 327 Q C 2.303 178.007 176.000 -0.493 0.000 0.998 327 Q CA 1.520 56.706 55.803 -1.028 0.000 0.872 327 Q CB -0.306 28.133 28.738 -0.498 0.000 0.925 327 Q HN 0.356 nan 8.270 nan 0.000 0.414 328 L N 0.617 121.697 121.223 -0.238 0.000 2.046 328 L HA -0.135 4.205 4.340 0.000 0.000 0.208 328 L C 2.031 178.822 176.870 -0.132 0.000 1.077 328 L CA 1.591 56.339 54.840 -0.155 0.000 0.747 328 L CB -1.019 40.971 42.059 -0.114 0.000 0.896 328 L HN 0.368 nan 8.230 nan 0.000 0.432 329 L N -1.601 119.531 121.223 -0.151 0.000 2.072 329 L HA -0.142 4.198 4.340 0.000 0.000 0.205 329 L C 2.489 179.396 176.870 0.063 0.000 1.079 329 L CA 0.644 55.419 54.840 -0.109 0.000 0.752 329 L CB -0.479 41.415 42.059 -0.275 0.000 0.906 329 L HN 0.017 nan 8.230 nan 0.000 0.436 330 V N 0.051 119.940 119.914 -0.041 0.000 2.515 330 V HA -0.251 3.869 4.120 0.000 0.000 0.250 330 V C 2.039 178.118 176.094 -0.024 0.000 1.058 330 V CA 1.782 64.085 62.300 0.005 0.000 1.064 330 V CB -0.635 31.168 31.823 -0.034 0.000 0.675 330 V HN 0.475 nan 8.190 nan 0.000 0.461 331 N N 0.021 118.663 118.700 -0.098 0.000 2.512 331 N HA -0.080 4.660 4.740 0.000 0.000 0.183 331 N C 1.487 176.982 175.510 -0.026 0.000 1.073 331 N CA 0.999 54.011 53.050 -0.064 0.000 0.911 331 N CB 0.002 38.435 38.487 -0.090 0.000 0.964 331 N HN 0.406 nan 8.380 nan 0.000 0.447 332 S N -1.297 114.417 115.700 0.023 0.000 2.577 332 S HA 0.328 4.798 4.470 0.000 0.000 0.219 332 S C 1.003 175.581 174.600 -0.037 0.000 0.962 332 S CA 0.199 58.416 58.200 0.028 0.000 0.921 332 S CB 0.483 63.750 63.200 0.111 0.000 0.789 332 S HN 0.484 nan 8.310 nan 0.000 0.497 333 G N 1.061 109.845 108.800 -0.027 0.000 2.131 333 G HA2 -0.226 3.734 3.960 0.000 0.000 0.223 333 G HA3 -0.226 3.734 3.960 0.000 0.000 0.223 333 G C -0.145 174.652 174.900 -0.171 0.000 0.990 333 G CA -0.520 44.516 45.100 -0.106 0.000 0.671 333 G HN 0.412 nan 8.290 nan 0.000 0.521 334 F N 0.336 120.260 119.950 -0.043 0.000 2.450 334 F HA 0.641 5.168 4.527 -0.000 0.000 0.328 334 F C 1.586 177.398 175.800 0.020 0.000 1.068 334 F CA 0.549 58.534 58.000 -0.025 0.000 1.007 334 F CB 1.016 39.973 39.000 -0.072 0.000 1.251 334 F HN 0.685 nan 8.300 nan 0.000 0.492 335 G N 1.326 110.286 108.800 0.267 0.000 2.582 335 G HA2 -0.306 3.654 3.960 0.000 0.000 0.300 335 G HA3 -0.306 3.654 3.960 0.000 0.000 0.300 335 G C -0.676 174.310 174.900 0.142 0.000 1.300 335 G CA 0.022 45.238 45.100 0.193 0.000 0.959 335 G HN 0.788 nan 8.290 nan 0.000 0.548 336 Q N -1.034 118.853 119.800 0.146 0.000 2.337 336 Q HA 0.647 4.987 4.340 0.000 0.000 0.270 336 Q C -0.780 175.307 176.000 0.146 0.000 1.043 336 Q CA -0.982 54.886 55.803 0.108 0.000 0.794 336 Q CB 1.757 30.533 28.738 0.064 0.000 1.281 336 Q HN 0.799 nan 8.270 nan 0.000 0.446 337 L N 3.422 124.717 121.223 0.119 0.000 2.334 337 L HA 0.820 5.160 4.340 0.000 0.000 0.277 337 L C 0.133 177.085 176.870 0.135 0.000 1.075 337 L CA 1.231 56.168 54.840 0.162 0.000 0.804 337 L CB 1.235 43.364 42.059 0.116 0.000 1.174 337 L HN 0.813 nan 8.230 nan 0.000 0.438 338 G N 3.227 112.161 108.800 0.223 0.000 2.710 338 G HA2 -0.209 3.751 3.960 0.000 0.000 0.668 338 G HA3 -0.209 3.751 3.960 0.000 0.000 0.668 338 G C -0.611 174.201 174.900 -0.147 0.000 1.320 338 G CA -0.249 44.940 45.100 0.149 0.000 0.860 338 G HN 0.964 nan 8.290 nan 0.000 0.538 339 R N 0.724 120.947 120.500 -0.462 0.000 2.537 339 R HA 0.314 4.654 4.340 0.000 0.000 0.281 339 R C -1.868 173.987 176.300 -0.741 0.000 0.988 339 R CA -0.375 55.037 56.100 -1.147 0.000 1.077 339 R CB -0.043 29.896 30.300 -0.603 0.000 0.932 339 R HN 0.348 nan 8.270 nan 0.000 0.409 340 P HA -0.077 nan 4.420 nan 0.000 0.262 340 P C -1.266 175.867 177.300 -0.278 0.000 1.182 340 P CA 0.514 63.345 63.100 -0.448 0.000 0.761 340 P CB 0.353 31.808 31.700 -0.408 0.000 0.795 341 N N 3.886 122.485 118.700 -0.169 0.000 2.648 341 N HA 0.169 4.910 4.740 0.000 0.000 0.261 341 N C -1.974 173.493 175.510 -0.072 0.000 1.138 341 N CA -1.850 51.132 53.050 -0.114 0.000 0.804 341 N CB 1.359 39.789 38.487 -0.095 0.000 1.237 341 N HN 0.137 nan 8.380 nan 0.000 0.532 342 P HA 0.029 nan 4.420 nan 0.000 0.242 342 P C 0.659 177.944 177.300 -0.026 0.000 1.197 342 P CA 0.458 63.535 63.100 -0.039 0.000 0.765 342 P CB 0.314 31.991 31.700 -0.038 0.000 0.936 343 A N -0.634 122.168 122.820 -0.030 0.000 2.267 343 A HA 0.115 4.435 4.320 0.000 0.000 0.213 343 A C 1.018 178.591 177.584 -0.018 0.000 1.192 343 A CA 0.148 52.172 52.037 -0.021 0.000 0.851 343 A CB -0.542 18.444 19.000 -0.023 0.000 0.881 343 A HN 0.121 nan 8.150 nan 0.000 0.494 344 N N 0.853 119.541 118.700 -0.020 0.000 2.790 344 N HA 0.282 5.022 4.740 0.000 0.000 0.256 344 N C -3.150 172.355 175.510 -0.009 0.000 1.409 344 N CA -1.831 51.211 53.050 -0.014 0.000 0.799 344 N CB 1.521 39.998 38.487 -0.016 0.000 1.170 344 N HN 0.083 nan 8.380 nan 0.000 0.507 345 P HA 0.367 nan 4.420 nan 0.000 0.274 345 P C -2.671 174.639 177.300 0.017 0.000 1.231 345 P CA -1.021 62.084 63.100 0.008 0.000 0.790 345 P CB 0.166 31.873 31.700 0.011 0.000 0.951 346 P HA 0.208 nan 4.420 nan 0.000 0.276 346 P C 0.844 178.169 177.300 0.041 0.000 1.230 346 P CA -0.042 63.084 63.100 0.043 0.000 0.776 346 P CB 0.618 32.361 31.700 0.073 0.000 0.888 347 E N 1.544 121.762 120.200 0.029 0.000 2.152 347 E HA -0.041 4.309 4.350 0.000 0.000 0.192 347 E C -0.124 176.505 176.600 0.049 0.000 0.983 347 E CA 0.722 57.137 56.400 0.025 0.000 0.818 347 E CB 0.095 29.796 29.700 0.002 0.000 0.758 347 E HN 0.383 nan 8.360 nan 0.000 0.467 348 L N 0.301 121.565 121.223 0.068 0.000 2.381 348 L HA 0.308 4.648 4.340 0.000 0.000 0.268 348 L C -0.181 176.817 176.870 0.214 0.000 0.997 348 L CA -0.860 54.067 54.840 0.145 0.000 0.818 348 L CB 1.989 44.118 42.059 0.117 0.000 1.310 348 L HN -0.017 nan 8.230 nan 0.000 0.416 349 L N 2.533 123.904 121.223 0.247 0.000 3.823 349 L HA -0.173 4.167 4.340 0.000 0.000 0.525 349 L C -1.371 175.608 176.870 0.181 0.000 1.247 349 L CA -0.392 54.585 54.840 0.230 0.000 0.776 349 L CB -0.835 41.386 42.059 0.270 0.000 1.443 349 L HN 0.619 nan 8.230 nan 0.000 0.831 350 P HA -0.118 nan 4.420 nan 0.000 0.225 350 P C 1.241 178.637 177.300 0.160 0.000 1.148 350 P CA 1.033 64.209 63.100 0.127 0.000 0.779 350 P CB 0.322 32.079 31.700 0.094 0.000 0.780 351 S N -0.531 115.280 115.700 0.185 0.000 2.593 351 S HA 0.056 4.526 4.470 0.000 0.000 0.217 351 S C 0.857 175.617 174.600 0.268 0.000 0.966 351 S CA -0.398 57.961 58.200 0.264 0.000 0.914 351 S CB -0.749 62.590 63.200 0.232 0.000 0.776 351 S HN 0.081 nan 8.310 nan 0.000 0.523 352 L N 2.429 123.787 121.223 0.224 0.000 2.534 352 L HA 0.396 4.736 4.340 0.000 0.000 0.271 352 L C 1.111 178.127 176.870 0.242 0.000 1.178 352 L CA 1.031 56.008 54.840 0.228 0.000 0.907 352 L CB -0.501 41.680 42.059 0.203 0.000 1.164 352 L HN 0.319 nan 8.230 nan 0.000 0.482 353 G N 2.416 111.370 108.800 0.257 0.000 2.148 353 G HA2 -0.266 3.694 3.960 0.000 0.000 0.254 353 G HA3 -0.266 3.694 3.960 0.000 0.000 0.254 353 G C 0.427 175.458 174.900 0.219 0.000 0.981 353 G CA 0.354 45.606 45.100 0.254 0.000 0.670 353 G HN 0.842 nan 8.290 nan 0.000 0.528 354 S N -1.871 113.962 115.700 0.221 0.000 2.726 354 S HA 0.666 5.136 4.470 0.000 0.000 0.308 354 S C 0.416 175.155 174.600 0.231 0.000 1.115 354 S CA 0.061 58.334 58.200 0.121 0.000 0.965 354 S CB 0.842 64.047 63.200 0.007 0.000 1.145 354 S HN 0.936 nan 8.310 nan 0.000 0.532 355 Y N -0.809 119.562 120.300 0.119 0.000 4.177 355 Y HA -0.205 4.345 4.550 0.000 0.000 0.227 355 Y C 0.514 176.501 175.900 0.145 0.000 1.154 355 Y CA 0.293 58.462 58.100 0.115 0.000 1.887 355 Y CB -2.153 36.369 38.460 0.103 0.000 1.594 355 Y HN 0.575 nan 8.280 nan 0.000 0.668 356 I N -0.051 120.666 120.570 0.246 0.000 2.696 356 I HA 0.510 4.681 4.170 0.000 0.000 0.284 356 I C 0.641 176.941 176.117 0.304 0.000 1.129 356 I CA 0.413 61.869 61.300 0.260 0.000 1.410 356 I CB 1.439 39.589 38.000 0.250 0.000 1.399 356 I HN 0.209 nan 8.210 nan 0.000 0.579 357 T N 1.864 116.563 114.554 0.241 0.000 2.893 357 T HA 0.660 5.010 4.350 0.000 0.000 0.293 357 T C -0.748 174.003 174.700 0.085 0.000 1.027 357 T CA -0.664 61.580 62.100 0.240 0.000 0.988 357 T CB 2.056 71.017 68.868 0.156 0.000 1.043 357 T HN 0.848 nan 8.240 nan 0.000 0.461 358 E N 1.505 121.735 120.200 0.050 0.000 2.314 358 E HA 0.375 4.725 4.350 0.000 0.000 0.272 358 E C -1.044 175.688 176.600 0.219 0.000 0.884 358 E CA -0.566 55.811 56.400 -0.038 0.000 0.753 358 E CB 2.067 31.520 29.700 -0.411 0.000 1.213 358 E HN 0.729 nan 8.360 nan 0.000 0.432 359 Q N 1.193 121.125 119.800 0.220 0.000 2.327 359 Q HA 0.421 4.761 4.340 0.000 0.000 0.254 359 Q C -0.382 175.805 176.000 0.312 0.000 0.952 359 Q CA -0.379 55.596 55.803 0.287 0.000 0.884 359 Q CB 1.223 30.154 28.738 0.321 0.000 1.224 359 Q HN 0.465 nan 8.270 nan 0.000 0.422 360 S N 1.536 117.330 115.700 0.158 0.000 2.562 360 S HA 0.284 4.754 4.470 0.000 0.000 0.281 360 S C -0.636 173.966 174.600 0.004 0.000 1.333 360 S CA -0.419 57.729 58.200 -0.087 0.000 1.052 360 S CB 0.328 63.387 63.200 -0.235 0.000 0.884 360 S HN 0.381 nan 8.310 nan 0.000 0.506 361 L N 4.685 125.878 121.223 -0.051 0.000 2.406 361 L HA 0.677 5.017 4.340 0.000 0.000 0.272 361 L C -0.749 175.942 176.870 -0.299 0.000 0.980 361 L CA -0.679 54.029 54.840 -0.220 0.000 0.831 361 L CB 1.586 43.501 42.059 -0.241 0.000 1.253 361 L HN 0.459 nan 8.230 nan 0.000 0.406 362 V N 2.279 121.932 119.914 -0.435 0.000 2.630 362 V HA 0.742 4.862 4.120 0.000 0.000 0.305 362 V C -0.858 175.067 176.094 -0.282 0.000 1.046 362 V CA -0.547 61.432 62.300 -0.536 0.000 0.934 362 V CB 1.512 32.807 31.823 -0.880 0.000 1.003 362 V HN 0.808 nan 8.190 nan 0.000 0.451 363 F N 4.964 124.679 119.950 -0.392 0.000 2.601 363 F HA 0.880 5.407 4.527 0.000 0.000 0.309 363 F C -0.423 175.246 175.800 -0.219 0.000 1.089 363 F CA -0.140 57.724 58.000 -0.227 0.000 0.940 363 F CB 1.623 40.532 39.000 -0.152 0.000 1.273 363 F HN 1.231 nan 8.300 nan 0.000 0.450 364 C N 2.766 121.408 119.300 -1.097 0.000 3.306 364 C HA 0.752 5.212 4.460 0.000 0.000 0.335 364 C C -1.929 172.587 174.990 -0.790 0.000 1.382 364 C CA -0.676 57.742 59.018 -0.999 0.000 1.254 364 C CB 1.552 28.920 27.740 -0.619 0.000 1.555 364 C HN 1.012 nan 8.230 nan 0.000 0.463 365 Q N 0.702 120.249 119.800 -0.421 0.000 2.387 365 Q HA 0.795 5.135 4.340 0.000 0.000 0.273 365 Q C -0.475 175.564 176.000 0.065 0.000 1.089 365 Q CA -0.263 55.514 55.803 -0.043 0.000 0.824 365 Q CB 2.741 31.466 28.738 -0.021 0.000 1.367 365 Q HN 0.952 nan 8.270 nan 0.000 0.443 366 T N -2.590 112.076 114.554 0.186 0.000 2.916 366 T HA 0.719 5.069 4.350 0.000 0.000 0.292 366 T C -0.568 174.194 174.700 0.104 0.000 1.055 366 T CA -0.723 61.451 62.100 0.123 0.000 1.009 366 T CB 1.231 70.186 68.868 0.146 0.000 1.118 366 T HN 0.264 nan 8.240 nan 0.000 0.497 367 V N 2.487 122.429 119.914 0.046 0.000 2.398 367 V HA 0.440 4.560 4.120 0.000 0.000 0.286 367 V C 0.328 176.436 176.094 0.024 0.000 1.026 367 V CA -0.955 61.366 62.300 0.036 0.000 0.868 367 V CB 1.193 33.026 31.823 0.017 0.000 0.982 367 V HN 1.036 nan 8.190 nan 0.000 0.443 368 M N 4.547 124.168 119.600 0.035 0.000 2.250 368 M HA 0.149 4.629 4.480 0.000 0.000 0.337 368 M C 0.869 177.176 176.300 0.012 0.000 1.161 368 M CA 0.692 56.012 55.300 0.035 0.000 1.088 368 M CB 0.725 33.344 32.600 0.033 0.000 1.639 368 M HN 0.961 nan 8.290 nan 0.000 0.447 369 S N 2.437 118.141 115.700 0.007 0.000 2.573 369 S HA 0.079 4.549 4.470 0.000 0.000 0.277 369 S C 0.932 175.533 174.600 0.001 0.000 1.346 369 S CA -0.114 58.081 58.200 -0.009 0.000 1.034 369 S CB 0.604 63.794 63.200 -0.016 0.000 0.879 369 S HN 0.807 nan 8.310 nan 0.000 0.528 370 T N 1.973 116.524 114.554 -0.005 0.000 2.788 370 T HA -0.113 4.237 4.350 0.000 0.000 0.268 370 T C 1.593 176.299 174.700 0.010 0.000 1.044 370 T CA 1.884 63.986 62.100 0.003 0.000 1.139 370 T CB -0.426 68.440 68.868 -0.002 0.000 0.867 370 T HN 0.781 nan 8.240 nan 0.000 0.454 371 E N 0.628 120.831 120.200 0.005 0.000 2.047 371 E HA -0.025 4.325 4.350 0.000 0.000 0.191 371 E C 2.249 178.865 176.600 0.028 0.000 0.987 371 E CA 0.784 57.190 56.400 0.011 0.000 0.799 371 E CB -0.259 29.440 29.700 -0.000 0.000 0.752 371 E HN 0.392 nan 8.360 nan 0.000 0.449 372 L N 0.813 122.054 121.223 0.030 0.000 2.012 372 L HA -0.232 4.108 4.340 0.000 0.000 0.210 372 L C 2.417 179.326 176.870 0.064 0.000 1.073 372 L CA 0.662 55.535 54.840 0.054 0.000 0.748 372 L CB -0.436 41.654 42.059 0.052 0.000 0.891 372 L HN 0.228 nan 8.230 nan 0.000 0.431 373 I N 0.058 120.653 120.570 0.041 0.000 2.163 373 I HA -0.304 3.866 4.170 0.000 0.000 0.243 373 I C 2.195 178.341 176.117 0.049 0.000 1.085 373 I CA 1.590 62.911 61.300 0.034 0.000 1.347 373 I CB -1.230 36.780 38.000 0.017 0.000 1.044 373 I HN 0.278 nan 8.210 nan 0.000 0.408 374 D N 0.590 121.018 120.400 0.047 0.000 2.182 374 D HA -0.138 4.502 4.640 0.000 0.000 0.201 374 D C 2.378 178.726 176.300 0.081 0.000 0.986 374 D CA 1.542 55.574 54.000 0.054 0.000 0.847 374 D CB -0.099 40.724 40.800 0.039 0.000 0.942 374 D HN 0.409 nan 8.370 nan 0.000 0.467 375 S N -0.264 115.495 115.700 0.099 0.000 2.399 375 S HA -0.125 4.345 4.470 0.000 0.000 0.231 375 S C 2.176 176.928 174.600 0.252 0.000 1.022 375 S CA 0.800 59.096 58.200 0.160 0.000 0.983 375 S CB -0.585 62.707 63.200 0.154 0.000 0.803 375 S HN 0.101 nan 8.310 nan 0.000 0.480 376 V N 3.233 123.263 119.914 0.194 0.000 2.380 376 V HA -0.186 3.934 4.120 0.000 0.000 0.251 376 V C 2.201 178.415 176.094 0.199 0.000 1.063 376 V CA 2.194 64.625 62.300 0.218 0.000 1.055 376 V CB -0.854 31.014 31.823 0.074 0.000 0.657 376 V HN 0.816 nan 8.190 nan 0.000 0.455 377 K N 0.296 120.780 120.400 0.140 0.000 2.498 377 K HA 0.191 4.511 4.320 0.000 0.000 0.207 377 K C 1.511 178.175 176.600 0.106 0.000 1.033 377 K CA 0.675 57.031 56.287 0.115 0.000 1.138 377 K CB 0.248 32.799 32.500 0.085 0.000 0.860 377 K HN 0.442 nan 8.250 nan 0.000 0.490 378 S N 0.681 116.464 115.700 0.137 0.000 2.442 378 S HA -0.145 4.325 4.470 0.000 0.000 0.236 378 S C 0.966 175.589 174.600 0.038 0.000 1.007 378 S CA 1.153 59.397 58.200 0.073 0.000 0.965 378 S CB -0.217 63.009 63.200 0.043 0.000 0.773 378 S HN 0.280 nan 8.310 nan 0.000 0.504 379 D N 0.868 121.302 120.400 0.057 0.000 2.355 379 D HA 0.190 4.830 4.640 0.000 0.000 0.218 379 D C 0.266 176.608 176.300 0.070 0.000 1.004 379 D CA 0.424 54.443 54.000 0.031 0.000 0.880 379 D CB -0.046 40.754 40.800 0.000 0.000 0.911 379 D HN 0.381 nan 8.370 nan 0.000 0.528 380 M N 0.407 120.049 119.600 0.070 0.000 2.277 380 M HA 0.239 4.719 4.480 0.000 0.000 0.350 380 M C 0.231 176.564 176.300 0.054 0.000 1.180 380 M CA -0.071 55.279 55.300 0.083 0.000 1.103 380 M CB 1.212 33.852 32.600 0.068 0.000 1.577 380 M HN -0.325 nan 8.290 nan 0.000 0.459 381 T N 3.983 118.563 114.554 0.044 0.000 2.795 381 T HA 0.714 5.064 4.350 0.000 0.000 0.282 381 T C 0.128 174.812 174.700 -0.027 0.000 0.980 381 T CA -0.407 61.699 62.100 0.010 0.000 1.012 381 T CB 0.952 69.822 68.868 0.004 0.000 0.936 381 T HN 0.441 nan 8.240 nan 0.000 0.457 382 I N 3.453 124.006 120.570 -0.028 0.000 2.530 382 I HA 0.573 4.743 4.170 0.000 0.000 0.297 382 I C 0.063 176.151 176.117 -0.047 0.000 1.011 382 I CA -0.986 60.270 61.300 -0.073 0.000 1.107 382 I CB 1.562 39.560 38.000 -0.002 0.000 1.285 382 I HN 0.408 nan 8.210 nan 0.000 0.436 383 R N 3.949 124.394 120.500 -0.092 0.000 2.604 383 R HA 0.738 5.078 4.340 0.000 0.000 0.281 383 R C -0.225 176.111 176.300 0.060 0.000 1.020 383 R CA -0.829 55.263 56.100 -0.014 0.000 0.899 383 R CB 1.989 32.270 30.300 -0.031 0.000 1.205 383 R HN 0.880 nan 8.270 nan 0.000 0.450 384 G N 0.747 109.619 108.800 0.120 0.000 2.632 384 G HA2 -0.239 3.721 3.960 0.000 0.000 0.224 384 G HA3 -0.239 3.721 3.960 0.000 0.000 0.224 384 G C -0.899 174.176 174.900 0.291 0.000 1.341 384 G CA -0.077 45.127 45.100 0.173 0.000 0.880 384 G HN 0.722 nan 8.290 nan 0.000 0.566 385 T N 1.474 116.168 114.554 0.233 0.000 2.879 385 T HA 0.669 5.019 4.350 0.000 0.000 0.290 385 T C -2.731 171.838 174.700 -0.218 0.000 0.993 385 T CA -0.836 61.290 62.100 0.044 0.000 0.975 385 T CB 1.786 70.664 68.868 0.017 0.000 0.981 385 T HN 0.477 nan 8.240 nan 0.000 0.439 386 P HA 0.196 nan 4.420 nan 0.000 0.264 386 P C 1.055 178.131 177.300 -0.373 0.000 1.179 386 P CA 1.565 64.125 63.100 -0.900 0.000 0.763 386 P CB 0.291 31.593 31.700 -0.664 0.000 0.806 387 G N 1.065 109.700 108.800 -0.275 0.000 2.225 387 G HA2 -0.200 3.760 3.960 0.000 0.000 0.254 387 G HA3 -0.200 3.760 3.960 0.000 0.000 0.254 387 G C 0.144 175.018 174.900 -0.043 0.000 0.988 387 G CA -0.170 44.866 45.100 -0.107 0.000 0.625 387 G HN 0.540 nan 8.290 nan 0.000 0.527 388 E N -0.030 120.152 120.200 -0.028 0.000 2.250 388 E HA 0.529 4.879 4.350 0.000 0.000 0.265 388 E C 1.291 177.929 176.600 0.062 0.000 1.033 388 E CA -0.906 55.506 56.400 0.020 0.000 0.888 388 E CB 1.274 30.988 29.700 0.024 0.000 1.151 388 E HN 0.047 nan 8.360 nan 0.000 0.412 389 L N 2.103 123.354 121.223 0.047 0.000 1.978 389 L HA -0.229 4.111 4.340 0.000 0.000 0.218 389 L C 2.090 179.000 176.870 0.067 0.000 1.075 389 L CA 2.805 57.674 54.840 0.048 0.000 0.767 389 L CB -1.263 40.815 42.059 0.032 0.000 0.890 389 L HN 0.785 nan 8.230 nan 0.000 0.434 390 T N -3.767 110.830 114.554 0.072 0.000 3.235 390 T HA -0.012 4.338 4.350 0.000 0.000 0.251 390 T C 0.448 175.209 174.700 0.102 0.000 1.060 390 T CA -0.493 61.646 62.100 0.066 0.000 0.949 390 T CB -0.988 67.906 68.868 0.044 0.000 1.020 390 T HN 0.165 nan 8.240 nan 0.000 0.564 391 Y N 2.852 123.154 120.300 0.004 0.000 2.632 391 Y HA 0.404 4.954 4.550 0.000 0.000 0.329 391 Y C 0.253 176.157 175.900 0.006 0.000 1.174 391 Y CA -0.315 57.788 58.100 0.005 0.000 1.469 391 Y CB 0.204 38.666 38.460 0.004 0.000 1.242 391 Y HN 0.317 nan 8.280 nan 0.000 0.540 392 S N 5.135 120.551 115.700 -0.473 0.000 2.536 392 S HA 0.756 5.226 4.470 0.000 0.000 0.271 392 S C -2.107 172.210 174.600 -0.472 0.000 1.134 392 S CA -0.729 57.248 58.200 -0.372 0.000 0.897 392 S CB 1.065 64.172 63.200 -0.156 0.000 1.094 392 S HN 0.483 nan 8.310 nan 0.000 0.473 393 V N 4.108 123.827 119.914 -0.324 0.000 2.443 393 V HA 0.747 4.867 4.120 0.000 0.000 0.293 393 V C -0.051 176.013 176.094 -0.050 0.000 1.021 393 V CA -0.315 61.865 62.300 -0.200 0.000 0.848 393 V CB 1.398 33.124 31.823 -0.162 0.000 0.998 393 V HN 1.082 nan 8.190 nan 0.000 0.424 394 T N 1.819 116.374 114.554 0.001 0.000 2.896 394 T HA 0.875 5.225 4.350 0.000 0.000 0.297 394 T C -1.012 173.783 174.700 0.159 0.000 1.108 394 T CA -0.723 61.405 62.100 0.048 0.000 1.004 394 T CB 2.365 71.213 68.868 -0.032 0.000 1.159 394 T HN 0.782 nan 8.240 nan 0.000 0.499 395 Y N -1.585 118.709 120.300 -0.010 0.000 2.669 395 Y HA 0.797 5.347 4.550 0.000 0.000 0.335 395 Y C -0.772 175.124 175.900 -0.006 0.000 1.116 395 Y CA -1.385 56.712 58.100 -0.005 0.000 1.081 395 Y CB 0.715 39.180 38.460 0.008 0.000 1.297 395 Y HN 0.645 nan 8.280 nan 0.000 0.484 396 T N 3.933 118.508 114.554 0.036 0.000 2.738 396 T HA 0.416 4.766 4.350 0.000 0.000 0.298 396 T C -2.778 171.925 174.700 0.006 0.000 0.962 396 T CA -1.322 60.731 62.100 -0.077 0.000 0.972 396 T CB 0.705 69.565 68.868 -0.013 0.000 0.928 396 T HN 0.357 nan 8.240 nan 0.000 0.474 397 P HA 0.272 nan 4.420 nan 0.000 0.271 397 P C 1.131 178.479 177.300 0.080 0.000 1.218 397 P CA 0.387 63.531 63.100 0.073 0.000 0.780 397 P CB 0.401 32.089 31.700 -0.021 0.000 0.901 398 G N 1.172 110.042 108.800 0.117 0.000 2.175 398 G HA2 -0.241 3.719 3.960 0.000 0.000 0.265 398 G HA3 -0.241 3.719 3.960 0.000 0.000 0.265 398 G C 0.492 175.413 174.900 0.035 0.000 0.979 398 G CA 0.153 45.291 45.100 0.063 0.000 0.663 398 G HN 0.873 nan 8.290 nan 0.000 0.533 399 A N 0.352 123.195 122.820 0.039 0.000 2.498 399 A HA 0.628 4.948 4.320 0.000 0.000 0.239 399 A C 1.711 179.292 177.584 -0.005 0.000 1.068 399 A CA 1.097 53.142 52.037 0.013 0.000 0.766 399 A CB 0.284 19.294 19.000 0.016 0.000 1.003 399 A HN 1.364 nan 8.150 nan 0.000 0.497 400 S N 1.795 117.487 115.700 -0.014 0.000 2.442 400 S HA -0.136 4.334 4.470 0.000 0.000 0.236 400 S C 1.663 176.237 174.600 -0.044 0.000 1.007 400 S CA 1.741 59.925 58.200 -0.026 0.000 0.965 400 S CB -0.429 62.758 63.200 -0.022 0.000 0.773 400 S HN 0.805 nan 8.310 nan 0.000 0.504 401 T N 2.393 116.923 114.554 -0.040 0.000 2.951 401 T HA 0.059 4.409 4.350 0.000 0.000 0.268 401 T C 0.484 175.134 174.700 -0.083 0.000 1.073 401 T CA 0.361 62.430 62.100 -0.052 0.000 1.134 401 T CB -0.482 68.366 68.868 -0.034 0.000 0.884 401 T HN 0.344 nan 8.240 nan 0.000 0.479 402 N N 2.028 120.679 118.700 -0.083 0.000 2.492 402 N HA 0.060 4.800 4.740 0.000 0.000 0.260 402 N C 0.986 176.347 175.510 -0.248 0.000 1.215 402 N CA 0.158 53.129 53.050 -0.131 0.000 0.923 402 N CB 0.725 39.160 38.487 -0.086 0.000 1.092 402 N HN 0.335 nan 8.380 nan 0.000 0.448 403 K N 1.170 121.322 120.400 -0.414 0.000 2.426 403 K HA 0.051 4.371 4.320 0.000 0.000 0.193 403 K C -0.115 175.950 176.600 -0.892 0.000 1.028 403 K CA 0.592 56.491 56.287 -0.646 0.000 1.047 403 K CB 0.155 32.172 32.500 -0.805 0.000 0.821 403 K HN 0.547 nan 8.250 nan 0.000 0.513 404 H N 0.440 119.210 119.070 -0.500 0.000 2.821 404 H HA 0.312 4.868 4.556 0.000 0.000 0.373 404 H C -2.589 172.414 175.328 -0.541 0.000 1.165 404 H CA -2.422 53.157 56.048 -0.781 0.000 1.154 404 H CB 1.697 30.559 29.762 -1.499 0.000 1.765 404 H HN -0.133 nan 8.280 nan 0.000 0.549 405 P HA 0.032 nan 4.420 nan 0.000 0.274 405 P C 0.390 177.523 177.300 -0.279 0.000 1.237 405 P CA -0.240 62.695 63.100 -0.276 0.000 0.793 405 P CB 1.269 32.821 31.700 -0.246 0.000 0.977 406 D N 0.321 120.683 120.400 -0.063 0.000 2.172 406 D HA -0.177 4.463 4.640 0.000 0.000 0.196 406 D C 1.799 178.133 176.300 0.057 0.000 0.999 406 D CA 1.445 55.471 54.000 0.045 0.000 0.856 406 D CB -0.436 40.485 40.800 0.202 0.000 0.934 406 D HN 0.618 nan 8.370 nan 0.000 0.453 407 W N -0.089 121.283 121.300 0.120 0.000 2.381 407 W HA -0.126 4.534 4.660 0.000 0.000 0.301 407 W C 2.065 178.665 176.519 0.136 0.000 1.205 407 W CA 0.127 57.541 57.345 0.116 0.000 1.285 407 W CB -1.402 28.121 29.460 0.106 0.000 1.133 407 W HN 0.043 nan 8.180 nan 0.000 0.521 408 W N 3.722 124.481 121.300 -0.902 0.000 2.332 408 W HA -0.240 4.420 4.660 0.000 0.000 0.321 408 W C 1.980 178.232 176.519 -0.444 0.000 1.219 408 W CA 2.141 58.971 57.345 -0.858 0.000 1.277 408 W CB -1.122 27.615 29.460 -1.205 0.000 1.161 408 W HN -0.058 nan 8.180 nan 0.000 0.476 409 N N 0.853 119.494 118.700 -0.098 0.000 2.094 409 N HA -0.234 4.506 4.740 0.000 0.000 0.191 409 N C 1.528 176.805 175.510 -0.389 0.000 1.023 409 N CA 2.171 54.967 53.050 -0.423 0.000 0.857 409 N CB -0.830 36.989 38.487 -1.113 0.000 1.013 409 N HN 0.259 nan 8.380 nan 0.000 0.426 410 E N 1.320 121.423 120.200 -0.161 0.000 2.085 410 E HA -0.104 4.246 4.350 0.000 0.000 0.194 410 E C 1.629 178.284 176.600 0.091 0.000 0.994 410 E CA 1.391 57.856 56.400 0.110 0.000 0.801 410 E CB 0.031 29.857 29.700 0.209 0.000 0.743 410 E HN 0.302 nan 8.360 nan 0.000 0.453 411 K N -0.628 119.813 120.400 0.068 0.000 2.097 411 K HA -0.066 4.254 4.320 0.000 0.000 0.205 411 K C 2.095 178.716 176.600 0.034 0.000 1.050 411 K CA 1.215 57.537 56.287 0.059 0.000 0.938 411 K CB -0.021 32.502 32.500 0.038 0.000 0.718 411 K HN 0.029 nan 8.250 nan 0.000 0.442 412 V N 1.788 121.686 119.914 -0.027 0.000 2.379 412 V HA -0.233 3.887 4.120 0.000 0.000 0.245 412 V C 2.341 178.480 176.094 0.075 0.000 1.044 412 V CA 1.580 63.877 62.300 -0.005 0.000 1.036 412 V CB -0.336 31.464 31.823 -0.038 0.000 0.664 412 V HN 0.318 nan 8.190 nan 0.000 0.453 413 K N 0.328 120.767 120.400 0.066 0.000 2.032 413 K HA -0.241 4.079 4.320 0.000 0.000 0.209 413 K C 1.959 178.620 176.600 0.100 0.000 1.048 413 K CA 2.072 58.422 56.287 0.106 0.000 0.927 413 K CB -0.180 32.435 32.500 0.191 0.000 0.712 413 K HN 0.417 nan 8.250 nan 0.000 0.441 414 N N 0.017 118.783 118.700 0.110 0.000 2.270 414 N HA -0.145 4.595 4.740 0.000 0.000 0.181 414 N C 1.659 177.229 175.510 0.099 0.000 1.016 414 N CA 1.128 54.235 53.050 0.095 0.000 0.870 414 N CB -0.478 38.069 38.487 0.101 0.000 0.979 414 N HN 0.410 nan 8.380 nan 0.000 0.431 415 H N 0.714 119.821 119.070 0.062 0.000 2.321 415 H HA 0.084 4.640 4.556 0.000 0.000 0.300 415 H C 1.963 177.355 175.328 0.106 0.000 1.087 415 H CA 1.796 57.899 56.048 0.091 0.000 1.319 415 H CB -0.073 29.675 29.762 -0.023 0.000 1.379 415 H HN 0.078 nan 8.280 nan 0.000 0.501 416 M N -0.821 118.786 119.600 0.012 0.000 2.254 416 M HA -0.109 4.371 4.480 0.000 0.000 0.265 416 M C 1.722 178.067 176.300 0.074 0.000 1.066 416 M CA 1.011 56.320 55.300 0.015 0.000 1.123 416 M CB 0.135 32.816 32.600 0.135 0.000 1.388 416 M HN 0.337 nan 8.290 nan 0.000 0.425 417 M N -0.574 119.055 119.600 0.048 0.000 2.388 417 M HA -0.071 4.409 4.480 0.000 0.000 0.265 417 M C 1.598 177.884 176.300 -0.023 0.000 1.088 417 M CA 1.471 56.808 55.300 0.061 0.000 1.134 417 M CB -0.687 31.928 32.600 0.026 0.000 1.384 417 M HN 0.329 nan 8.290 nan 0.000 0.447 418 Q N -0.923 118.793 119.800 -0.139 0.000 2.408 418 Q HA 0.001 4.341 4.340 0.000 0.000 0.205 418 Q C -0.150 175.472 176.000 -0.631 0.000 0.919 418 Q CA 0.568 56.169 55.803 -0.336 0.000 0.932 418 Q CB 0.570 29.096 28.738 -0.352 0.000 1.058 418 Q HN 0.486 nan 8.270 nan 0.000 0.517 419 H N -0.034 118.972 119.070 -0.107 0.000 2.490 419 H HA 0.184 4.740 4.556 0.000 0.000 0.230 419 H C -0.158 175.096 175.328 -0.123 0.000 1.417 419 H CA -0.092 55.888 56.048 -0.114 0.000 1.449 419 H CB 0.489 30.109 29.762 -0.236 0.000 1.649 419 H HN 0.201 nan 8.280 nan 0.000 0.519 420 Q N 0.601 120.406 119.800 0.008 0.000 2.472 420 Q HA -0.080 4.260 4.340 0.000 0.000 0.208 420 Q C 1.796 177.753 176.000 -0.071 0.000 0.958 420 Q CA 0.614 56.378 55.803 -0.066 0.000 0.932 420 Q CB 0.556 29.216 28.738 -0.130 0.000 1.007 420 Q HN 0.521 nan 8.270 nan 0.000 0.508 421 E N 0.819 121.025 120.200 0.010 0.000 2.385 421 E HA -0.088 4.262 4.350 0.000 0.000 0.194 421 E C -0.249 176.381 176.600 0.050 0.000 1.013 421 E CA 0.429 56.843 56.400 0.023 0.000 0.866 421 E CB 0.049 29.782 29.700 0.055 0.000 0.832 421 E HN 0.126 nan 8.360 nan 0.000 0.500 422 D N 2.415 122.859 120.400 0.075 0.000 2.264 422 D HA 0.100 4.740 4.640 0.000 0.000 0.250 422 D C -1.461 174.878 176.300 0.065 0.000 1.113 422 D CA -1.982 52.076 54.000 0.097 0.000 0.871 422 D CB 1.534 42.401 40.800 0.110 0.000 1.167 422 D HN -0.138 nan 8.370 nan 0.000 0.447 423 P HA 0.062 nan 4.420 nan 0.000 0.245 423 P C -0.210 177.122 177.300 0.054 0.000 1.212 423 P CA 0.318 63.447 63.100 0.048 0.000 0.774 423 P CB 0.400 32.123 31.700 0.038 0.000 0.999 424 L N 1.206 122.466 121.223 0.061 0.000 2.330 424 L HA 0.395 4.735 4.340 0.000 0.000 0.271 424 L C -1.628 175.268 176.870 0.043 0.000 1.013 424 L CA -2.252 52.600 54.840 0.021 0.000 0.816 424 L CB 2.606 44.643 42.059 -0.037 0.000 1.287 424 L HN -0.330 nan 8.230 nan 0.000 0.435 425 P HA 0.167 nan 4.420 nan 0.000 0.261 425 P C 0.113 177.279 177.300 -0.223 0.000 1.268 425 P CA 0.344 63.446 63.100 0.003 0.000 0.833 425 P CB 0.476 32.184 31.700 0.013 0.000 1.231 426 I N 2.682 123.021 120.570 -0.386 0.000 2.371 426 I HA 0.218 4.388 4.170 0.000 0.000 0.290 426 I C -2.051 173.556 176.117 -0.850 0.000 1.028 426 I CA -2.688 58.326 61.300 -0.477 0.000 1.345 426 I CB 0.688 38.497 38.000 -0.318 0.000 1.407 426 I HN -0.229 nan 8.210 nan 0.000 0.501 427 P HA 0.005 nan 4.420 nan 0.000 0.268 427 P C 0.279 177.345 177.300 -0.390 0.000 1.208 427 P CA 0.084 62.834 63.100 -0.583 0.000 0.777 427 P CB 0.433 32.036 31.700 -0.161 0.000 0.875 428 F N 0.298 120.162 119.950 -0.145 0.000 2.206 428 F HA -0.050 4.477 4.527 0.000 0.000 0.298 428 F C 1.742 177.515 175.800 -0.045 0.000 1.090 428 F CA 1.513 59.460 58.000 -0.087 0.000 1.323 428 F CB -0.500 38.469 39.000 -0.052 0.000 1.028 428 F HN 0.359 nan 8.300 nan 0.000 0.492 429 E N 0.178 120.481 120.200 0.173 0.000 2.411 429 E HA 0.030 4.380 4.350 0.000 0.000 0.228 429 E C -0.677 175.955 176.600 0.053 0.000 1.169 429 E CA -0.316 56.147 56.400 0.105 0.000 1.421 429 E CB -0.246 29.515 29.700 0.102 0.000 1.333 429 E HN 0.144 nan 8.360 nan 0.000 0.434 430 D N 1.289 121.699 120.400 0.016 0.000 2.350 430 D HA 0.091 4.731 4.640 0.000 0.000 0.249 430 D C -2.289 174.035 176.300 0.042 0.000 1.119 430 D CA -1.819 52.178 54.000 -0.005 0.000 0.886 430 D CB 0.952 41.706 40.800 -0.077 0.000 1.195 430 D HN -0.071 nan 8.370 nan 0.000 0.437 431 P HA 0.120 nan 4.420 nan 0.000 0.274 431 P C -0.522 176.903 177.300 0.207 0.000 1.246 431 P CA -0.442 62.766 63.100 0.181 0.000 0.795 431 P CB 0.389 32.212 31.700 0.204 0.000 1.006 432 E N 1.679 122.006 120.200 0.213 0.000 2.392 432 E HA 0.181 4.531 4.350 0.000 0.000 0.256 432 E C -2.320 174.288 176.600 0.012 0.000 1.145 432 E CA -1.925 54.510 56.400 0.058 0.000 0.929 432 E CB -1.112 28.575 29.700 -0.022 0.000 0.998 432 E HN 0.285 nan 8.360 nan 0.000 0.442 433 P HA 0.044 nan 4.420 nan 0.000 0.271 433 P C -0.483 176.829 177.300 0.021 0.000 1.218 433 P CA 0.045 63.211 63.100 0.109 0.000 0.780 433 P CB 0.485 32.199 31.700 0.024 0.000 0.901 434 Q N 1.226 121.150 119.800 0.208 0.000 3.662 434 Q HA 0.313 4.653 4.340 0.000 0.000 0.237 434 Q C -0.974 175.135 176.000 0.181 0.000 0.895 434 Q CA -0.343 55.467 55.803 0.012 0.000 0.767 434 Q CB 1.232 29.765 28.738 -0.342 0.000 1.469 434 Q HN 0.196 nan 8.270 nan 0.000 0.424 435 V N 0.582 120.544 119.914 0.081 0.000 2.667 435 V HA 0.742 4.862 4.120 0.000 0.000 0.308 435 V C 0.086 176.197 176.094 0.029 0.000 1.048 435 V CA -0.476 61.865 62.300 0.068 0.000 0.928 435 V CB 2.128 33.928 31.823 -0.039 0.000 1.004 435 V HN 0.464 nan 8.190 nan 0.000 0.444 436 T N 1.585 116.196 114.554 0.095 0.000 2.993 436 T HA 0.442 4.792 4.350 0.000 0.000 0.312 436 T C -0.935 173.750 174.700 -0.024 0.000 1.115 436 T CA -0.295 61.810 62.100 0.009 0.000 1.027 436 T CB 1.666 70.539 68.868 0.007 0.000 1.116 436 T HN 0.824 nan 8.240 nan 0.000 0.464 437 T N 5.353 119.754 114.554 -0.254 0.000 2.758 437 T HA 0.617 4.967 4.350 0.000 0.000 0.285 437 T C -0.041 174.535 174.700 -0.208 0.000 0.981 437 T CA -0.591 61.184 62.100 -0.542 0.000 0.965 437 T CB -0.070 67.993 68.868 -1.341 0.000 0.927 437 T HN 0.524 nan 8.240 nan 0.000 0.448 438 L N 4.418 125.593 121.223 -0.081 0.000 2.436 438 L HA 0.423 4.763 4.340 0.000 0.000 0.265 438 L C 0.697 177.595 176.870 0.047 0.000 1.168 438 L CA -0.997 53.881 54.840 0.064 0.000 0.815 438 L CB 0.245 42.329 42.059 0.042 0.000 1.109 438 L HN 0.599 nan 8.230 nan 0.000 0.462 439 F N 2.837 122.722 119.950 -0.109 0.000 2.604 439 F HA -0.053 4.474 4.527 0.000 0.000 0.390 439 F C 0.229 175.780 175.800 -0.415 0.000 1.053 439 F CA 0.506 58.344 58.000 -0.270 0.000 1.256 439 F CB 0.068 38.958 39.000 -0.182 0.000 0.996 439 F HN 0.391 nan 8.300 nan 0.000 0.564 440 Q N 6.458 125.964 119.800 -0.489 0.000 2.462 440 Q HA 0.245 4.585 4.340 0.000 0.000 0.285 440 Q C -2.043 173.655 176.000 -0.502 0.000 1.035 440 Q CA -1.678 53.864 55.803 -0.435 0.000 0.799 440 Q CB 1.514 29.792 28.738 -0.766 0.000 1.452 440 Q HN 0.220 nan 8.270 nan 0.000 0.404 441 P HA -0.198 nan 4.420 nan 0.000 0.216 441 P C 1.114 178.236 177.300 -0.297 0.000 1.150 441 P CA 2.009 64.999 63.100 -0.183 0.000 0.843 441 P CB 0.199 31.848 31.700 -0.084 0.000 0.787 442 S N -1.784 113.731 115.700 -0.307 0.000 2.489 442 S HA -0.095 4.375 4.470 0.000 0.000 0.228 442 S C 0.503 174.942 174.600 -0.267 0.000 0.995 442 S CA 0.205 58.292 58.200 -0.188 0.000 0.934 442 S CB -1.239 61.946 63.200 -0.025 0.000 0.771 442 S HN 0.452 nan 8.310 nan 0.000 0.522 443 H N -1.034 117.647 119.070 -0.649 0.000 2.651 443 H HA 0.476 5.032 4.556 0.000 0.000 0.252 443 H C -3.269 170.944 175.328 -1.858 0.000 1.365 443 H CA -1.885 53.377 56.048 -1.309 0.000 1.539 443 H CB 0.692 29.939 29.762 -0.858 0.000 1.621 443 H HN 0.044 nan 8.280 nan 0.000 0.526 444 P HA 0.114 nan 4.420 nan 0.000 0.214 444 P C -1.344 175.115 177.300 -1.401 0.000 1.826 444 P CA 0.037 61.958 63.100 -1.965 0.000 0.977 444 P CB -0.937 30.228 31.700 -0.892 0.000 1.930 445 W N -0.182 120.618 121.300 -0.833 0.000 3.213 445 W HA 0.517 5.177 4.660 -0.000 0.000 0.318 445 W C -1.010 175.523 176.519 0.023 0.000 1.248 445 W CA -1.288 55.950 57.345 -0.178 0.000 1.187 445 W CB -0.026 29.427 29.460 -0.011 0.000 1.403 445 W HN 0.007 nan 8.180 nan 0.000 0.556 446 H N 1.181 120.495 119.070 0.407 0.000 2.551 446 H HA 0.669 5.225 4.556 0.000 0.000 0.358 446 H C -0.122 175.360 175.328 0.258 0.000 1.151 446 H CA 0.526 56.739 56.048 0.275 0.000 1.374 446 H CB 1.387 31.267 29.762 0.198 0.000 1.473 446 H HN 0.568 nan 8.280 nan 0.000 0.574 447 T N 2.144 116.328 114.554 -0.617 0.000 2.876 447 T HA 0.491 4.841 4.350 0.000 0.000 0.289 447 T C -0.628 173.733 174.700 -0.565 0.000 1.014 447 T CA -1.112 60.619 62.100 -0.616 0.000 0.986 447 T CB 1.584 70.014 68.868 -0.730 0.000 1.021 447 T HN 0.663 nan 8.240 nan 0.000 0.458 448 Q N 1.814 121.507 119.800 -0.178 0.000 2.321 448 Q HA 0.603 4.943 4.340 0.000 0.000 0.270 448 Q C -1.031 174.879 176.000 -0.150 0.000 1.032 448 Q CA -0.705 54.937 55.803 -0.268 0.000 0.784 448 Q CB 2.471 30.919 28.738 -0.485 0.000 1.264 448 Q HN 0.730 nan 8.270 nan 0.000 0.448 449 I N 3.583 124.021 120.570 -0.221 0.000 2.563 449 I HA 0.378 4.548 4.170 0.000 0.000 0.276 449 I C -0.494 175.540 176.117 -0.139 0.000 1.074 449 I CA -0.405 60.663 61.300 -0.387 0.000 1.124 449 I CB 0.255 37.868 38.000 -0.645 0.000 1.225 449 I HN 0.775 nan 8.210 nan 0.000 0.482 450 H N 3.453 122.366 119.070 -0.263 0.000 3.001 450 H HA 0.691 5.247 4.556 0.000 0.000 0.266 450 H C -1.199 174.076 175.328 -0.088 0.000 1.532 450 H CA -1.377 54.587 56.048 -0.140 0.000 1.187 450 H CB 1.482 31.196 29.762 -0.080 0.000 1.881 450 H HN 0.141 nan 8.280 nan 0.000 0.643 451 R N 0.872 121.233 120.500 -0.232 0.000 2.651 451 R HA 0.439 4.779 4.340 0.000 0.000 0.278 451 R C -1.654 174.498 176.300 -0.247 0.000 1.010 451 R CA -0.658 55.255 56.100 -0.313 0.000 0.896 451 R CB 2.263 32.494 30.300 -0.116 0.000 1.211 451 R HN 0.852 nan 8.270 nan 0.000 0.456 452 D N -0.070 120.227 120.400 -0.172 0.000 2.692 452 D HA 0.468 5.108 4.640 0.000 0.000 0.290 452 D C -1.445 174.903 176.300 0.079 0.000 1.281 452 D CA -0.380 53.596 54.000 -0.040 0.000 0.804 452 D CB 2.540 43.377 40.800 0.062 0.000 1.331 452 D HN 0.521 nan 8.370 nan 0.000 0.432 453 A N 0.773 123.522 122.820 -0.118 0.000 2.301 453 A HA 0.731 5.051 4.320 0.000 0.000 0.312 453 A C -1.189 176.208 177.584 -0.311 0.000 1.182 453 A CA -0.122 51.886 52.037 -0.048 0.000 0.826 453 A CB 0.214 19.233 19.000 0.032 0.000 1.134 453 A HN 0.308 nan 8.150 nan 0.000 0.501 454 F N -0.203 119.596 119.950 -0.253 0.000 2.726 454 F HA 0.398 4.925 4.527 0.000 0.000 0.324 454 F C 1.588 177.166 175.800 -0.371 0.000 1.140 454 F CA -0.036 57.758 58.000 -0.343 0.000 0.964 454 F CB 1.528 40.105 39.000 -0.706 0.000 1.399 454 F HN 0.546 nan 8.300 nan 0.000 0.491 455 S N -0.863 114.790 115.700 -0.079 0.000 2.515 455 S HA -0.017 4.453 4.470 0.000 0.000 0.231 455 S C 0.054 174.664 174.600 0.016 0.000 0.987 455 S CA 0.871 59.054 58.200 -0.029 0.000 0.936 455 S CB -1.038 62.201 63.200 0.066 0.000 0.766 455 S HN 0.562 nan 8.310 nan 0.000 0.528 456 Y N -2.387 117.883 120.300 -0.050 0.000 2.968 456 Y HA 0.773 5.323 4.550 0.000 0.000 0.316 456 Y C 1.401 177.214 175.900 -0.145 0.000 1.359 456 Y CA -1.133 56.890 58.100 -0.128 0.000 1.107 456 Y CB -0.177 38.148 38.460 -0.225 0.000 1.374 456 Y HN 0.055 nan 8.280 nan 0.000 0.621 457 G N -0.275 108.497 108.800 -0.047 0.000 2.187 457 G HA2 -0.146 3.814 3.960 0.000 0.000 0.261 457 G HA3 -0.146 3.814 3.960 0.000 0.000 0.261 457 G C 0.447 175.364 174.900 0.028 0.000 1.000 457 G CA 0.388 45.458 45.100 -0.050 0.000 0.718 457 G HN 1.292 nan 8.290 nan 0.000 0.519 458 A N -1.250 121.576 122.820 0.010 0.000 2.407 458 A HA 0.591 4.911 4.320 0.000 0.000 0.257 458 A C 0.994 178.611 177.584 0.054 0.000 1.131 458 A CA 0.727 52.778 52.037 0.023 0.000 0.803 458 A CB 0.376 19.385 19.000 0.015 0.000 1.083 458 A HN 1.164 nan 8.150 nan 0.000 0.512 459 V N 0.322 120.264 119.914 0.047 0.000 2.863 459 V HA 0.502 4.622 4.120 0.000 0.000 0.307 459 V C -0.011 176.112 176.094 0.049 0.000 1.061 459 V CA -0.107 62.224 62.300 0.052 0.000 1.024 459 V CB 1.373 33.225 31.823 0.049 0.000 1.049 459 V HN 1.090 nan 8.190 nan 0.000 0.471 460 Q N 2.253 122.082 119.800 0.049 0.000 2.423 460 Q HA 0.611 4.951 4.340 0.000 0.000 0.278 460 Q C -0.783 175.241 176.000 0.039 0.000 1.097 460 Q CA -0.679 55.150 55.803 0.043 0.000 0.809 460 Q CB 1.997 30.762 28.738 0.045 0.000 1.391 460 Q HN 0.365 nan 8.270 nan 0.000 0.428 461 Q N 0.074 119.894 119.800 0.033 0.000 2.217 461 Q HA 0.208 4.548 4.340 0.000 0.000 0.217 461 Q C 0.637 176.655 176.000 0.030 0.000 0.844 461 Q CA 0.772 56.594 55.803 0.031 0.000 0.957 461 Q CB 0.917 29.671 28.738 0.027 0.000 1.127 461 Q HN 0.869 nan 8.270 nan 0.000 0.503 462 S N -0.912 114.806 115.700 0.029 0.000 2.446 462 S HA 0.107 4.577 4.470 0.000 0.000 0.225 462 S C 0.778 175.395 174.600 0.029 0.000 1.016 462 S CA 0.198 58.415 58.200 0.027 0.000 0.943 462 S CB 0.433 63.647 63.200 0.023 0.000 0.786 462 S HN 0.106 nan 8.310 nan 0.000 0.508 463 I N 2.990 123.580 120.570 0.032 0.000 2.377 463 I HA 0.349 4.519 4.170 0.000 0.000 0.293 463 I C 0.031 176.171 176.117 0.038 0.000 0.987 463 I CA -1.380 59.940 61.300 0.033 0.000 1.185 463 I CB 1.194 39.214 38.000 0.032 0.000 1.341 463 I HN 0.177 nan 8.210 nan 0.000 0.455 464 D N 3.523 123.947 120.400 0.040 0.000 2.493 464 D HA -0.099 4.541 4.640 0.000 0.000 0.240 464 D C 1.118 177.445 176.300 0.045 0.000 1.142 464 D CA 0.467 54.496 54.000 0.049 0.000 0.872 464 D CB 1.151 41.981 40.800 0.051 0.000 1.173 464 D HN 0.602 nan 8.370 nan 0.000 0.467 465 S N 3.936 119.667 115.700 0.051 0.000 2.423 465 S HA -0.117 4.353 4.470 0.000 0.000 0.231 465 S C 1.724 176.346 174.600 0.035 0.000 1.014 465 S CA 0.784 59.012 58.200 0.046 0.000 0.965 465 S CB 0.106 63.337 63.200 0.051 0.000 0.785 465 S HN 0.495 nan 8.310 nan 0.000 0.495 466 R N 0.212 120.730 120.500 0.030 0.000 2.241 466 R HA 0.099 4.439 4.340 0.000 0.000 0.224 466 R C 1.748 178.045 176.300 -0.004 0.000 1.101 466 R CA 1.080 57.179 56.100 -0.001 0.000 0.995 466 R CB -0.268 30.009 30.300 -0.039 0.000 0.870 466 R HN 0.443 nan 8.270 nan 0.000 0.463 467 L N 0.246 121.477 121.223 0.012 0.000 2.446 467 L HA 0.140 4.480 4.340 0.000 0.000 0.219 467 L C 0.596 177.487 176.870 0.036 0.000 1.116 467 L CA 0.085 54.936 54.840 0.018 0.000 0.844 467 L CB 0.134 42.205 42.059 0.020 0.000 0.970 467 L HN 0.055 nan 8.230 nan 0.000 0.457 468 I N 0.628 121.221 120.570 0.039 0.000 2.342 468 I HA 0.186 4.356 4.170 0.000 0.000 0.291 468 I C -0.504 175.643 176.117 0.050 0.000 1.010 468 I CA -0.361 60.972 61.300 0.055 0.000 1.308 468 I CB 1.442 39.474 38.000 0.053 0.000 1.400 468 I HN -0.266 nan 8.210 nan 0.000 0.488 469 V N 5.069 125.037 119.914 0.090 0.000 2.555 469 V HA 0.290 4.410 4.120 0.000 0.000 0.302 469 V C -0.536 175.598 176.094 0.068 0.000 1.038 469 V CA -0.810 61.510 62.300 0.034 0.000 0.887 469 V CB 1.981 33.820 31.823 0.027 0.000 0.991 469 V HN 0.576 nan 8.190 nan 0.000 0.434 470 D N 2.982 123.349 120.400 -0.055 0.000 2.264 470 D HA 0.413 5.053 4.640 0.000 0.000 0.250 470 D C -0.971 175.309 176.300 -0.034 0.000 1.113 470 D CA 0.187 54.206 54.000 0.032 0.000 0.871 470 D CB 1.020 41.778 40.800 -0.070 0.000 1.167 470 D HN 0.443 nan 8.370 nan 0.000 0.447 471 W N 2.130 123.445 121.300 0.025 0.000 2.471 471 W HA 0.455 5.115 4.660 0.000 0.000 0.318 471 W C 0.252 176.844 176.519 0.122 0.000 1.034 471 W CA -0.873 56.527 57.345 0.093 0.000 1.224 471 W CB 1.109 30.521 29.460 -0.079 0.000 1.335 471 W HN -0.051 nan 8.180 nan 0.000 0.452 472 R N 3.124 123.890 120.500 0.443 0.000 2.435 472 R HA 0.482 4.822 4.340 0.000 0.000 0.308 472 R C -1.500 175.018 176.300 0.364 0.000 0.975 472 R CA -0.843 55.398 56.100 0.235 0.000 0.867 472 R CB 1.433 31.833 30.300 0.167 0.000 1.171 472 R HN 0.171 nan 8.270 nan 0.000 0.470 473 F N 3.137 122.930 119.950 -0.262 0.000 2.458 473 F HA 0.490 5.017 4.527 0.000 0.000 0.336 473 F C -0.275 175.343 175.800 -0.304 0.000 1.114 473 F CA -1.527 56.383 58.000 -0.151 0.000 0.987 473 F CB 1.000 39.873 39.000 -0.211 0.000 1.130 473 F HN 0.283 nan 8.300 nan 0.000 0.458 474 F N 1.341 121.468 119.950 0.296 0.000 2.449 474 F HA 0.675 5.202 4.527 0.000 0.000 0.342 474 F C 0.608 176.611 175.800 0.339 0.000 1.127 474 F CA -1.260 56.922 58.000 0.304 0.000 0.975 474 F CB 1.413 40.650 39.000 0.395 0.000 1.146 474 F HN 0.512 nan 8.300 nan 0.000 0.444 475 G N 2.161 111.198 108.800 0.394 0.000 2.434 475 G HA2 0.668 4.628 3.960 0.000 0.000 0.330 475 G HA3 0.668 4.628 3.960 0.000 0.000 0.330 475 G C -0.927 174.154 174.900 0.302 0.000 1.155 475 G CA -1.123 44.187 45.100 0.350 0.000 0.917 475 G HN 0.697 nan 8.290 nan 0.000 0.493 476 R N -0.605 120.070 120.500 0.291 0.000 2.486 476 R HA 0.687 5.027 4.340 0.000 0.000 0.286 476 R C -0.963 175.438 176.300 0.167 0.000 0.999 476 R CA -0.570 55.640 56.100 0.184 0.000 0.993 476 R CB 1.303 31.742 30.300 0.233 0.000 1.084 476 R HN 0.271 nan 8.270 nan 0.000 0.487 477 T N 2.054 116.676 114.554 0.115 0.000 2.812 477 T HA 0.171 4.521 4.350 0.000 0.000 0.282 477 T C -0.722 174.063 174.700 0.141 0.000 0.990 477 T CA -0.735 61.479 62.100 0.190 0.000 0.960 477 T CB 1.337 70.395 68.868 0.317 0.000 0.948 477 T HN 0.534 nan 8.240 nan 0.000 0.438 478 E N 3.945 124.227 120.200 0.136 0.000 2.376 478 E HA 0.139 4.489 4.350 0.000 0.000 0.266 478 E C -2.283 174.391 176.600 0.124 0.000 1.009 478 E CA -1.681 54.789 56.400 0.116 0.000 0.902 478 E CB 0.456 30.213 29.700 0.096 0.000 0.972 478 E HN 0.267 nan 8.360 nan 0.000 0.439 479 P HA 0.069 nan 4.420 nan 0.000 0.270 479 P C -0.904 176.541 177.300 0.241 0.000 1.242 479 P CA 0.179 63.413 63.100 0.223 0.000 0.768 479 P CB 0.510 32.365 31.700 0.259 0.000 0.820 480 K N 2.776 123.259 120.400 0.138 0.000 2.378 480 K HA 0.179 4.499 4.320 0.000 0.000 0.252 480 K C 1.008 177.445 176.600 -0.272 0.000 0.931 480 K CA -0.745 55.546 56.287 0.007 0.000 0.794 480 K CB 2.147 34.610 32.500 -0.062 0.000 1.181 480 K HN 0.401 nan 8.250 nan 0.000 0.425 481 E N 2.046 121.936 120.200 -0.518 0.000 2.114 481 E HA -0.265 4.085 4.350 0.000 0.000 0.199 481 E C 1.162 177.516 176.600 -0.410 0.000 1.008 481 E CA 1.889 57.785 56.400 -0.840 0.000 0.810 481 E CB 0.425 29.853 29.700 -0.454 0.000 0.739 481 E HN 0.577 nan 8.360 nan 0.000 0.456 482 E N 0.428 120.492 120.200 -0.227 0.000 2.347 482 E HA -0.116 4.234 4.350 0.000 0.000 0.196 482 E C -0.010 176.535 176.600 -0.092 0.000 1.008 482 E CA 0.314 56.635 56.400 -0.132 0.000 0.852 482 E CB -0.299 29.339 29.700 -0.104 0.000 0.783 482 E HN 0.091 nan 8.360 nan 0.000 0.505 483 N N 2.174 120.807 118.700 -0.111 0.000 2.420 483 N HA 0.139 4.879 4.740 0.000 0.000 0.262 483 N C -0.673 174.903 175.510 0.109 0.000 1.144 483 N CA 0.303 53.346 53.050 -0.011 0.000 0.952 483 N CB 0.911 39.359 38.487 -0.065 0.000 1.081 483 N HN 0.149 nan 8.380 nan 0.000 0.480 484 K N 1.142 121.664 120.400 0.203 0.000 2.477 484 K HA 0.470 4.790 4.320 0.000 0.000 0.255 484 K C -1.151 175.623 176.600 0.291 0.000 0.952 484 K CA -0.932 55.499 56.287 0.240 0.000 0.826 484 K CB 2.351 35.005 32.500 0.257 0.000 1.331 484 K HN 0.158 nan 8.250 nan 0.000 0.437 485 L N 3.757 125.101 121.223 0.202 0.000 2.305 485 L HA 0.572 4.912 4.340 0.000 0.000 0.284 485 L C -1.311 175.511 176.870 -0.079 0.000 1.013 485 L CA -0.058 54.743 54.840 -0.065 0.000 0.819 485 L CB 0.523 42.565 42.059 -0.028 0.000 1.227 485 L HN 0.708 nan 8.230 nan 0.000 0.417 486 W N 3.554 124.574 121.300 -0.467 0.000 3.055 486 W HA 0.628 5.288 4.660 0.000 0.000 0.340 486 W C -2.124 173.879 176.519 -0.861 0.000 1.180 486 W CA -1.204 55.899 57.345 -0.403 0.000 1.077 486 W CB 0.907 30.294 29.460 -0.122 0.000 1.479 486 W HN 0.305 nan 8.180 nan 0.000 0.593 487 F N 1.589 121.730 119.950 0.317 0.000 2.518 487 F HA 0.331 4.858 4.527 0.000 0.000 0.323 487 F C 0.794 176.762 175.800 0.281 0.000 1.129 487 F CA -0.914 57.165 58.000 0.132 0.000 0.920 487 F CB 1.961 41.017 39.000 0.093 0.000 1.160 487 F HN 0.255 nan 8.300 nan 0.000 0.440 488 S N 1.100 116.953 115.700 0.255 0.000 2.560 488 S HA 0.022 4.492 4.470 0.000 0.000 0.284 488 S C 0.729 175.473 174.600 0.240 0.000 1.327 488 S CA -0.346 58.026 58.200 0.286 0.000 1.055 488 S CB 0.299 63.584 63.200 0.143 0.000 0.868 488 S HN 0.689 nan 8.310 nan 0.000 0.506 489 D N 2.277 122.799 120.400 0.204 0.000 2.328 489 D HA 0.173 4.813 4.640 0.000 0.000 0.221 489 D C 0.883 177.243 176.300 0.100 0.000 1.072 489 D CA 0.075 54.157 54.000 0.136 0.000 0.850 489 D CB 0.254 41.118 40.800 0.108 0.000 0.922 489 D HN 0.467 nan 8.370 nan 0.000 0.516 490 K N -0.306 120.157 120.400 0.105 0.000 2.494 490 K HA 0.243 4.564 4.320 0.000 0.000 0.201 490 K C 0.061 176.705 176.600 0.072 0.000 1.338 490 K CA -0.018 56.316 56.287 0.078 0.000 0.935 490 K CB 0.529 33.075 32.500 0.077 0.000 1.514 490 K HN -0.077 nan 8.250 nan 0.000 0.490 491 I N 3.251 123.869 120.570 0.079 0.000 2.529 491 I HA 0.159 4.329 4.170 0.000 0.000 0.284 491 I C 0.243 176.400 176.117 0.068 0.000 1.082 491 I CA 0.018 61.355 61.300 0.062 0.000 1.406 491 I CB 0.744 38.772 38.000 0.046 0.000 1.405 491 I HN 0.390 nan 8.210 nan 0.000 0.548 492 T N 1.484 116.074 114.554 0.060 0.000 2.924 492 T HA 0.585 4.935 4.350 0.000 0.000 0.291 492 T C -0.308 174.434 174.700 0.071 0.000 1.045 492 T CA -0.937 61.206 62.100 0.071 0.000 1.015 492 T CB 2.378 71.283 68.868 0.061 0.000 1.103 492 T HN 0.548 nan 8.240 nan 0.000 0.496 493 D N 0.703 121.163 120.400 0.100 0.000 2.469 493 D HA 0.460 5.100 4.640 0.000 0.000 0.278 493 D C 1.606 177.951 176.300 0.076 0.000 1.231 493 D CA -0.454 53.611 54.000 0.108 0.000 1.075 493 D CB -0.160 40.747 40.800 0.178 0.000 1.121 493 D HN 0.643 nan 8.370 nan 0.000 0.571 494 A N -1.565 121.288 122.820 0.054 0.000 2.121 494 A HA -0.084 4.236 4.320 0.000 0.000 0.218 494 A C 1.118 178.548 177.584 -0.256 0.000 1.154 494 A CA 0.784 52.750 52.037 -0.118 0.000 0.679 494 A CB -0.934 17.943 19.000 -0.206 0.000 0.795 494 A HN 0.533 nan 8.150 nan 0.000 0.458 495 Y N -0.739 119.589 120.300 0.047 0.000 2.607 495 Y HA 0.209 4.759 4.550 -0.000 0.000 0.266 495 Y C 0.494 176.427 175.900 0.055 0.000 1.178 495 Y CA -0.164 57.967 58.100 0.051 0.000 1.226 495 Y CB -0.489 37.989 38.460 0.029 0.000 1.144 495 Y HN 0.504 nan 8.280 nan 0.000 0.528 496 N N -0.529 118.249 118.700 0.130 0.000 2.747 496 N HA -0.175 4.566 4.740 0.000 0.000 0.249 496 N C -0.655 174.911 175.510 0.093 0.000 1.107 496 N CA 0.376 53.479 53.050 0.089 0.000 0.707 496 N CB -0.635 37.892 38.487 0.066 0.000 1.054 496 N HN 0.161 nan 8.380 nan 0.000 0.555 497 M N -0.247 119.424 119.600 0.118 0.000 2.644 497 M HA 0.461 4.941 4.480 0.000 0.000 0.316 497 M C -2.303 174.058 176.300 0.102 0.000 1.200 497 M CA -2.040 53.312 55.300 0.087 0.000 0.944 497 M CB 0.839 33.485 32.600 0.077 0.000 1.691 497 M HN -0.294 nan 8.290 nan 0.000 0.471 498 P HA 0.062 nan 4.420 nan 0.000 0.268 498 P C -0.722 176.745 177.300 0.278 0.000 1.204 498 P CA -0.089 63.108 63.100 0.160 0.000 0.768 498 P CB 0.260 32.055 31.700 0.160 0.000 0.842 499 Q N 6.521 126.433 119.800 0.187 0.000 2.286 499 Q HA 0.172 4.512 4.340 0.000 0.000 0.267 499 Q C -2.228 173.770 176.000 -0.004 0.000 1.028 499 Q CA -2.023 53.840 55.803 0.099 0.000 0.901 499 Q CB -0.197 28.546 28.738 0.009 0.000 1.183 499 Q HN 0.297 nan 8.270 nan 0.000 0.392 500 P HA 0.069 nan 4.420 nan 0.000 0.268 500 P C -1.029 175.801 177.300 -0.783 0.000 1.204 500 P CA -0.051 62.667 63.100 -0.637 0.000 0.768 500 P CB 0.958 32.398 31.700 -0.433 0.000 0.842 501 T N 3.143 116.990 114.554 -1.178 0.000 2.916 501 T HA 0.530 4.880 4.350 0.000 0.000 0.298 501 T C -0.548 173.455 174.700 -1.162 0.000 1.031 501 T CA -0.104 61.295 62.100 -1.169 0.000 0.993 501 T CB 0.573 68.401 68.868 -1.732 0.000 1.045 501 T HN 0.073 nan 8.240 nan 0.000 0.454 502 F N 1.668 121.333 119.950 -0.475 0.000 2.432 502 F HA 0.569 5.096 4.527 0.000 0.000 0.329 502 F C 0.569 176.314 175.800 -0.093 0.000 1.076 502 F CA -1.046 56.798 58.000 -0.260 0.000 1.018 502 F CB 1.229 40.129 39.000 -0.165 0.000 1.201 502 F HN 0.402 nan 8.300 nan 0.000 0.489 503 D N 2.552 123.129 120.400 0.295 0.000 2.375 503 D HA 0.216 4.856 4.640 0.000 0.000 0.259 503 D C -1.805 174.634 176.300 0.232 0.000 1.235 503 D CA -0.046 54.108 54.000 0.257 0.000 0.924 503 D CB 0.396 41.375 40.800 0.298 0.000 1.143 503 D HN 0.288 nan 8.370 nan 0.000 0.529 504 F N 2.981 122.917 119.950 -0.024 0.000 2.578 504 F HA 0.632 5.159 4.527 0.000 0.000 0.311 504 F C -1.187 174.499 175.800 -0.189 0.000 1.094 504 F CA -0.587 57.332 58.000 -0.134 0.000 0.923 504 F CB 1.461 40.315 39.000 -0.244 0.000 1.230 504 F HN 0.015 nan 8.300 nan 0.000 0.450 505 R N 3.818 123.838 120.500 -0.799 0.000 2.740 505 R HA 0.350 4.690 4.340 0.000 0.000 0.273 505 R C -1.728 173.938 176.300 -1.057 0.000 0.998 505 R CA -0.933 54.779 56.100 -0.647 0.000 0.900 505 R CB 1.702 31.826 30.300 -0.293 0.000 1.223 505 R HN 0.599 nan 8.270 nan 0.000 0.466 506 F N 2.638 122.361 119.950 -0.378 0.000 2.543 506 F HA 0.197 4.724 4.527 0.000 0.000 0.375 506 F C -1.309 174.345 175.800 -0.243 0.000 1.075 506 F CA -1.211 56.628 58.000 -0.268 0.000 1.225 506 F CB -0.110 38.864 39.000 -0.043 0.000 1.099 506 F HN 0.133 nan 8.300 nan 0.000 0.561 507 P HA 0.104 nan 4.420 nan 0.000 0.266 507 P C -0.564 176.738 177.300 0.002 0.000 1.195 507 P CA -0.149 62.915 63.100 -0.060 0.000 0.768 507 P CB 0.512 32.190 31.700 -0.036 0.000 0.838 508 A N 2.709 125.519 122.820 -0.016 0.000 2.366 508 A HA 0.554 4.874 4.320 0.000 0.000 0.250 508 A C 1.104 178.696 177.584 0.014 0.000 1.099 508 A CA 0.807 52.842 52.037 -0.002 0.000 0.794 508 A CB -0.974 18.018 19.000 -0.012 0.000 1.056 508 A HN 0.837 nan 8.150 nan 0.000 0.499 509 G N -0.117 108.694 108.800 0.018 0.000 2.481 509 G HA2 -0.235 3.725 3.960 0.000 0.000 0.230 509 G HA3 -0.235 3.725 3.960 0.000 0.000 0.230 509 G C 1.007 175.932 174.900 0.043 0.000 1.210 509 G CA 0.737 45.854 45.100 0.028 0.000 0.936 509 G HN 1.045 nan 8.290 nan 0.000 0.583 510 R N -0.075 120.458 120.500 0.054 0.000 2.083 510 R HA -0.087 4.253 4.340 0.000 0.000 0.237 510 R C 2.809 179.161 176.300 0.088 0.000 1.137 510 R CA 2.810 58.953 56.100 0.070 0.000 0.951 510 R CB -1.036 29.308 30.300 0.073 0.000 0.851 510 R HN 0.656 nan 8.270 nan 0.000 0.434 511 T N 0.381 114.992 114.554 0.094 0.000 2.620 511 T HA -0.188 4.162 4.350 0.000 0.000 0.267 511 T C 1.961 176.711 174.700 0.084 0.000 1.044 511 T CA 2.126 64.296 62.100 0.115 0.000 1.161 511 T CB -0.324 68.630 68.868 0.143 0.000 0.862 511 T HN 0.320 nan 8.240 nan 0.000 0.438 512 S N 0.581 116.314 115.700 0.055 0.000 2.368 512 S HA -0.047 4.423 4.470 0.000 0.000 0.224 512 S C 2.022 176.632 174.600 0.017 0.000 1.029 512 S CA 1.110 59.315 58.200 0.008 0.000 0.988 512 S CB -0.220 62.978 63.200 -0.003 0.000 0.838 512 S HN 0.550 nan 8.310 nan 0.000 0.462 513 K N 1.472 121.898 120.400 0.043 0.000 2.026 513 K HA -0.130 4.190 4.320 0.000 0.000 0.208 513 K C 1.929 178.584 176.600 0.091 0.000 1.048 513 K CA 1.470 57.791 56.287 0.055 0.000 0.929 513 K CB -0.184 32.353 32.500 0.061 0.000 0.713 513 K HN 0.333 nan 8.250 nan 0.000 0.439 514 E N 0.125 120.403 120.200 0.130 0.000 2.085 514 E HA -0.226 4.124 4.350 0.000 0.000 0.194 514 E C 2.003 178.697 176.600 0.157 0.000 0.994 514 E CA 1.222 57.755 56.400 0.222 0.000 0.801 514 E CB -0.169 29.679 29.700 0.247 0.000 0.743 514 E HN 0.486 nan 8.360 nan 0.000 0.453 515 A N 1.375 124.253 122.820 0.097 0.000 1.858 515 A HA -0.266 4.054 4.320 0.000 0.000 0.216 515 A C 2.096 179.745 177.584 0.108 0.000 1.190 515 A CA 1.851 53.940 52.037 0.086 0.000 0.617 515 A CB -0.539 18.476 19.000 0.026 0.000 0.827 515 A HN 0.175 nan 8.150 nan 0.000 0.443 516 E N 0.612 120.874 120.200 0.102 0.000 2.070 516 E HA -0.218 4.132 4.350 0.000 0.000 0.197 516 E C 1.414 177.991 176.600 -0.037 0.000 1.004 516 E CA 1.899 58.354 56.400 0.092 0.000 0.805 516 E CB -0.371 29.351 29.700 0.037 0.000 0.744 516 E HN 0.547 nan 8.360 nan 0.000 0.451 517 D N -0.321 120.057 120.400 -0.036 0.000 2.178 517 D HA -0.175 4.465 4.640 0.000 0.000 0.201 517 D C 1.927 177.996 176.300 -0.385 0.000 0.980 517 D CA 1.108 55.071 54.000 -0.061 0.000 0.842 517 D CB -0.340 40.546 40.800 0.142 0.000 0.948 517 D HN 0.342 nan 8.370 nan 0.000 0.472 518 M N -0.188 118.989 119.600 -0.706 0.000 2.117 518 M HA -0.205 4.275 4.480 0.000 0.000 0.262 518 M C 2.075 177.922 176.300 -0.755 0.000 1.065 518 M CA 1.225 55.760 55.300 -1.275 0.000 1.114 518 M CB 0.013 32.043 32.600 -0.950 0.000 1.361 518 M HN -0.035 nan 8.290 nan 0.000 0.408 519 M N 0.226 119.503 119.600 -0.539 0.000 2.117 519 M HA -0.144 4.336 4.480 0.000 0.000 0.262 519 M C 1.762 177.814 176.300 -0.414 0.000 1.065 519 M CA 2.255 57.230 55.300 -0.542 0.000 1.114 519 M CB -0.865 31.475 32.600 -0.434 0.000 1.361 519 M HN 0.228 nan 8.290 nan 0.000 0.408 520 T N 0.214 114.599 114.554 -0.283 0.000 2.684 520 T HA -0.183 4.167 4.350 0.000 0.000 0.267 520 T C 1.482 176.083 174.700 -0.166 0.000 1.036 520 T CA 1.890 63.884 62.100 -0.177 0.000 1.148 520 T CB -0.624 68.189 68.868 -0.091 0.000 0.863 520 T HN 0.524 nan 8.240 nan 0.000 0.436 521 D N 0.500 120.795 120.400 -0.176 0.000 2.133 521 D HA -0.106 4.534 4.640 0.000 0.000 0.195 521 D C 2.056 178.306 176.300 -0.084 0.000 0.997 521 D CA 1.033 55.032 54.000 -0.003 0.000 0.840 521 D CB -0.233 40.656 40.800 0.148 0.000 0.947 521 D HN 0.326 nan 8.370 nan 0.000 0.452 522 M N -0.566 118.732 119.600 -0.503 0.000 2.086 522 M HA -0.172 4.308 4.480 0.000 0.000 0.261 522 M C 1.998 178.001 176.300 -0.496 0.000 1.067 522 M CA 1.419 56.212 55.300 -0.844 0.000 1.116 522 M CB -0.156 31.653 32.600 -1.319 0.000 1.348 522 M HN 0.175 nan 8.290 nan 0.000 0.407 523 C N -0.316 118.783 119.300 -0.334 0.000 2.425 523 C HA -0.090 4.370 4.460 0.000 0.000 0.277 523 C C 2.668 177.570 174.990 -0.146 0.000 1.280 523 C CA 0.762 59.703 59.018 -0.128 0.000 1.744 523 C CB -0.989 26.718 27.740 -0.055 0.000 1.989 523 C HN 0.511 nan 8.230 nan 0.000 0.491 524 V N 0.467 120.314 119.914 -0.112 0.000 2.379 524 V HA -0.240 3.880 4.120 0.000 0.000 0.245 524 V C 2.378 178.454 176.094 -0.028 0.000 1.044 524 V CA 2.128 64.399 62.300 -0.050 0.000 1.036 524 V CB -0.602 31.237 31.823 0.026 0.000 0.664 524 V HN 0.583 nan 8.190 nan 0.000 0.453 525 M N 0.675 120.291 119.600 0.026 0.000 2.156 525 M HA -0.143 4.337 4.480 0.000 0.000 0.264 525 M C 2.431 178.659 176.300 -0.120 0.000 1.067 525 M CA 2.170 57.573 55.300 0.170 0.000 1.131 525 M CB -0.153 32.686 32.600 0.399 0.000 1.368 525 M HN 0.527 nan 8.290 nan 0.000 0.416 526 S N 0.520 115.862 115.700 -0.597 0.000 2.399 526 S HA -0.040 4.430 4.470 0.000 0.000 0.231 526 S C 1.989 176.259 174.600 -0.551 0.000 1.022 526 S CA 0.927 58.407 58.200 -1.201 0.000 0.983 526 S CB -0.856 61.300 63.200 -1.741 0.000 0.803 526 S HN 0.569 nan 8.310 nan 0.000 0.480 527 A N 2.168 124.746 122.820 -0.404 0.000 2.070 527 A HA -0.020 4.300 4.320 0.000 0.000 0.220 527 A C 2.182 179.655 177.584 -0.185 0.000 1.159 527 A CA 1.247 53.086 52.037 -0.329 0.000 0.656 527 A CB -0.521 18.303 19.000 -0.294 0.000 0.800 527 A HN 0.604 nan 8.150 nan 0.000 0.453 528 K N -0.711 119.627 120.400 -0.104 0.000 2.283 528 K HA -0.024 4.296 4.320 0.000 0.000 0.202 528 K C 1.185 177.787 176.600 0.003 0.000 1.048 528 K CA 0.837 57.103 56.287 -0.034 0.000 0.948 528 K CB -0.076 32.440 32.500 0.028 0.000 0.742 528 K HN 0.406 nan 8.250 nan 0.000 0.458 529 I N -0.581 120.009 120.570 0.033 0.000 2.927 529 I HA 0.121 4.291 4.170 0.000 0.000 0.268 529 I C 1.146 177.285 176.117 0.037 0.000 1.153 529 I CA 0.601 61.962 61.300 0.101 0.000 1.459 529 I CB -0.064 38.125 38.000 0.314 0.000 1.149 529 I HN 0.083 nan 8.210 nan 0.000 0.443 530 G N -0.777 107.999 108.800 -0.042 0.000 2.368 530 G HA2 0.456 4.416 3.960 0.000 0.000 0.293 530 G HA3 0.456 4.416 3.960 0.000 0.000 0.293 530 G C -0.507 174.260 174.900 -0.221 0.000 1.467 530 G CA -0.211 44.837 45.100 -0.087 0.000 0.804 530 G HN 0.291 nan 8.290 nan 0.000 0.535 531 G N -1.071 107.594 108.800 -0.225 0.000 2.606 531 G HA2 0.516 4.476 3.960 0.000 0.000 0.252 531 G HA3 0.516 4.476 3.960 0.000 0.000 0.252 531 G C -0.248 174.486 174.900 -0.276 0.000 1.206 531 G CA -0.424 44.462 45.100 -0.356 0.000 0.861 531 G HN 0.459 nan 8.290 nan 0.000 0.561 532 F N -0.655 119.207 119.950 -0.147 0.000 2.518 532 F HA 0.223 4.750 4.527 0.000 0.000 0.359 532 F C 0.717 176.457 175.800 -0.100 0.000 1.118 532 F CA -0.868 57.037 58.000 -0.159 0.000 1.287 532 F CB 0.779 39.671 39.000 -0.180 0.000 1.132 532 F HN 0.187 nan 8.300 nan 0.000 0.587 533 L N 5.977 127.260 121.223 0.101 0.000 2.418 533 L HA 0.350 4.690 4.340 0.000 0.000 0.274 533 L C -2.418 174.478 176.870 0.044 0.000 1.135 533 L CA -1.633 53.239 54.840 0.053 0.000 0.870 533 L CB -0.027 42.056 42.059 0.040 0.000 1.154 533 L HN 0.303 nan 8.230 nan 0.000 0.462 534 P HA 0.238 nan 4.420 nan 0.000 0.268 534 P C 0.575 177.886 177.300 0.019 0.000 1.205 534 P CA 0.842 63.958 63.100 0.025 0.000 0.771 534 P CB 0.817 32.530 31.700 0.022 0.000 0.858 535 G N 1.709 110.514 108.800 0.009 0.000 2.225 535 G HA2 -0.242 3.718 3.960 0.000 0.000 0.254 535 G HA3 -0.242 3.718 3.960 0.000 0.000 0.254 535 G C 0.452 175.369 174.900 0.030 0.000 0.988 535 G CA 0.270 45.381 45.100 0.019 0.000 0.625 535 G HN 0.524 nan 8.290 nan 0.000 0.527 536 S N 0.994 116.694 115.700 -0.000 0.000 2.474 536 S HA 0.530 5.000 4.470 0.000 0.000 0.224 536 S C 0.459 174.942 174.600 -0.195 0.000 1.209 536 S CA -0.575 57.603 58.200 -0.037 0.000 1.212 536 S CB 0.275 63.461 63.200 -0.023 0.000 1.137 536 S HN 0.481 nan 8.310 nan 0.000 0.446 537 L N 2.718 123.821 121.223 -0.201 0.000 2.452 537 L HA 0.315 4.655 4.340 0.000 0.000 0.267 537 L C -2.014 174.556 176.870 -0.501 0.000 1.188 537 L CA -1.972 52.634 54.840 -0.391 0.000 0.821 537 L CB -0.136 41.755 42.059 -0.279 0.000 1.102 537 L HN 0.101 nan 8.230 nan 0.000 0.470 538 P HA 0.041 nan 4.420 nan 0.000 0.268 538 P C -1.350 175.691 177.300 -0.432 0.000 1.204 538 P CA -0.031 62.674 63.100 -0.658 0.000 0.768 538 P CB 0.746 31.947 31.700 -0.831 0.000 0.842 539 Q N 1.284 120.860 119.800 -0.373 0.000 2.647 539 Q HA 0.429 4.769 4.340 0.000 0.000 0.283 539 Q C -1.661 174.157 176.000 -0.302 0.000 0.943 539 Q CA -0.826 54.834 55.803 -0.237 0.000 0.813 539 Q CB 0.447 29.119 28.738 -0.110 0.000 1.477 539 Q HN 0.123 nan 8.270 nan 0.000 0.393 540 F N 1.517 121.366 119.950 -0.168 0.000 2.412 540 F HA 0.351 4.878 4.527 0.000 0.000 0.348 540 F C 0.519 176.222 175.800 -0.162 0.000 1.102 540 F CA -0.424 57.471 58.000 -0.174 0.000 1.196 540 F CB 1.091 39.987 39.000 -0.172 0.000 1.144 540 F HN 0.398 nan 8.300 nan 0.000 0.541 541 M N 2.072 121.646 119.600 -0.043 0.000 2.250 541 M HA 0.107 4.587 4.480 0.000 0.000 0.344 541 M C 0.293 176.549 176.300 -0.073 0.000 1.150 541 M CA -0.568 54.636 55.300 -0.161 0.000 1.147 541 M CB 0.565 32.938 32.600 -0.378 0.000 1.498 541 M HN 0.601 nan 8.290 nan 0.000 0.461 542 E N 3.820 123.960 120.200 -0.101 0.000 2.765 542 E HA -0.046 4.304 4.350 0.000 0.000 0.256 542 E C -2.138 174.438 176.600 -0.040 0.000 0.935 542 E CA -1.003 55.362 56.400 -0.057 0.000 0.954 542 E CB 0.230 29.884 29.700 -0.076 0.000 0.908 542 E HN 0.222 nan 8.360 nan 0.000 0.500 543 P HA -0.002 nan 4.420 nan 0.000 0.261 543 P C 0.482 177.707 177.300 -0.124 0.000 1.183 543 P CA 1.249 64.366 63.100 0.028 0.000 0.761 543 P CB 0.635 32.352 31.700 0.029 0.000 0.785 544 G N 2.718 111.442 108.800 -0.126 0.000 2.268 544 G HA2 -0.344 3.616 3.960 0.000 0.000 0.240 544 G HA3 -0.344 3.616 3.960 0.000 0.000 0.240 544 G C 0.764 175.619 174.900 -0.076 0.000 1.010 544 G CA 0.250 45.244 45.100 -0.176 0.000 0.618 544 G HN 0.558 nan 8.290 nan 0.000 0.516 545 L N 1.398 122.581 121.223 -0.065 0.000 2.187 545 L HA 0.172 4.512 4.340 0.000 0.000 0.213 545 L C 2.700 179.589 176.870 0.030 0.000 1.100 545 L CA 2.648 57.469 54.840 -0.031 0.000 0.765 545 L CB -0.430 41.556 42.059 -0.121 0.000 0.904 545 L HN 0.580 nan 8.230 nan 0.000 0.437 546 V N -0.125 119.786 119.914 -0.005 0.000 2.720 546 V HA -0.153 3.967 4.120 0.000 0.000 0.256 546 V C 1.674 177.736 176.094 -0.053 0.000 1.082 546 V CA 1.245 63.545 62.300 0.000 0.000 1.101 546 V CB -0.342 31.478 31.823 -0.005 0.000 0.693 546 V HN 0.525 nan 8.190 nan 0.000 0.479 547 L N 0.015 121.265 121.223 0.045 0.000 3.608 547 L HA -0.242 4.098 4.340 0.000 0.000 0.422 547 L C 0.227 177.270 176.870 0.288 0.000 1.260 547 L CA 0.828 55.753 54.840 0.141 0.000 0.889 547 L CB -2.361 39.820 42.059 0.204 0.000 1.821 547 L HN 0.574 nan 8.230 nan 0.000 0.884 548 H N -0.598 118.604 119.070 0.219 0.000 2.481 548 H HA 0.297 4.853 4.556 0.000 0.000 0.273 548 H C 0.443 175.927 175.328 0.260 0.000 1.145 548 H CA -0.997 55.220 56.048 0.282 0.000 0.964 548 H CB 0.673 30.649 29.762 0.357 0.000 1.722 548 H HN 0.212 nan 8.280 nan 0.000 0.573 549 L N 1.744 123.133 121.223 0.278 0.000 2.499 549 L HA 0.273 4.613 4.340 0.000 0.000 0.273 549 L C 0.551 177.570 176.870 0.248 0.000 1.195 549 L CA 0.585 55.533 54.840 0.180 0.000 0.882 549 L CB 0.420 42.538 42.059 0.099 0.000 1.133 549 L HN 0.273 nan 8.230 nan 0.000 0.483 550 G N 1.968 110.925 108.800 0.262 0.000 2.730 550 G HA2 0.521 4.481 3.960 0.000 0.000 0.289 550 G HA3 0.521 4.481 3.960 0.000 0.000 0.289 550 G C 0.324 175.340 174.900 0.193 0.000 1.341 550 G CA -0.403 44.872 45.100 0.291 0.000 0.932 550 G HN 1.325 nan 8.290 nan 0.000 0.481 551 G N -1.157 107.722 108.800 0.133 0.000 2.168 551 G HA2 -0.246 3.714 3.960 0.000 0.000 0.257 551 G HA3 -0.246 3.714 3.960 0.000 0.000 0.257 551 G C 1.289 176.251 174.900 0.103 0.000 0.997 551 G CA 1.700 46.873 45.100 0.122 0.000 0.708 551 G HN 1.821 nan 8.290 nan 0.000 0.520 552 T N -2.280 112.289 114.554 0.024 0.000 2.962 552 T HA 0.079 4.429 4.350 0.000 0.000 0.270 552 T C 1.097 175.889 174.700 0.154 0.000 1.088 552 T CA 1.822 63.986 62.100 0.105 0.000 1.127 552 T CB -0.263 68.687 68.868 0.137 0.000 0.883 552 T HN 1.426 nan 8.240 nan 0.000 0.493 553 H N 0.023 119.179 119.070 0.143 0.000 2.597 553 H HA 0.484 5.040 4.556 0.000 0.000 0.225 553 H C -0.048 175.337 175.328 0.096 0.000 1.422 553 H CA -1.325 54.785 56.048 0.104 0.000 1.335 553 H CB -0.182 29.607 29.762 0.046 0.000 1.783 553 H HN 0.330 nan 8.280 nan 0.000 0.513 554 R N 0.654 121.233 120.500 0.131 0.000 2.679 554 R HA 0.256 4.596 4.340 0.000 0.000 0.269 554 R C -0.353 176.010 176.300 0.105 0.000 1.076 554 R CA -0.694 55.457 56.100 0.086 0.000 1.160 554 R CB 0.883 31.227 30.300 0.073 0.000 1.054 554 R HN 0.445 nan 8.270 nan 0.000 0.507 555 M N 1.325 120.962 119.600 0.062 0.000 2.235 555 M HA 0.361 4.841 4.480 0.000 0.000 0.351 555 M C -0.327 175.975 176.300 0.003 0.000 1.178 555 M CA 0.452 55.769 55.300 0.028 0.000 1.143 555 M CB 1.309 33.898 32.600 -0.018 0.000 1.530 555 M HN 0.959 nan 8.290 nan 0.000 0.461 556 G N 2.244 111.062 108.800 0.030 0.000 2.600 556 G HA2 0.409 4.369 3.960 0.000 0.000 0.293 556 G HA3 0.409 4.369 3.960 0.000 0.000 0.293 556 G C -0.753 174.160 174.900 0.021 0.000 1.408 556 G CA -0.700 44.358 45.100 -0.070 0.000 0.782 556 G HN 0.658 nan 8.290 nan 0.000 0.482 557 F N -0.006 120.038 119.950 0.156 0.000 2.186 557 F HA 0.219 4.746 4.527 0.000 0.000 0.299 557 F C 1.120 177.062 175.800 0.236 0.000 1.090 557 F CA 1.197 59.295 58.000 0.163 0.000 1.307 557 F CB 0.273 39.328 39.000 0.092 0.000 1.019 557 F HN 0.356 nan 8.300 nan 0.000 0.489 558 D N -1.128 119.452 120.400 0.300 0.000 2.757 558 D HA 0.124 4.764 4.640 0.000 0.000 0.249 558 D C 0.676 176.851 176.300 -0.208 0.000 1.168 558 D CA -0.268 53.766 54.000 0.058 0.000 0.870 558 D CB 1.284 42.119 40.800 0.057 0.000 1.411 558 D HN 0.090 nan 8.370 nan 0.000 0.525 559 E N 3.019 122.764 120.200 -0.758 0.000 2.097 559 E HA -0.281 4.069 4.350 0.000 0.000 0.196 559 E C 1.240 177.644 176.600 -0.328 0.000 1.000 559 E CA 1.309 57.187 56.400 -0.870 0.000 0.804 559 E CB 0.305 29.280 29.700 -1.209 0.000 0.740 559 E HN 0.394 nan 8.360 nan 0.000 0.454 560 K N 0.313 120.578 120.400 -0.226 0.000 2.099 560 K HA -0.106 4.214 4.320 0.000 0.000 0.203 560 K C 2.136 178.698 176.600 -0.064 0.000 1.047 560 K CA 1.143 57.366 56.287 -0.107 0.000 0.963 560 K CB -0.001 32.452 32.500 -0.077 0.000 0.759 560 K HN 0.040 nan 8.250 nan 0.000 0.451 561 E N 0.159 120.328 120.200 -0.051 0.000 2.150 561 E HA -0.170 4.180 4.350 0.000 0.000 0.193 561 E C 0.458 177.051 176.600 -0.012 0.000 0.985 561 E CA 1.520 57.912 56.400 -0.012 0.000 0.814 561 E CB 0.188 29.896 29.700 0.013 0.000 0.752 561 E HN 0.303 nan 8.360 nan 0.000 0.466 562 D N 0.036 120.419 120.400 -0.028 0.000 2.402 562 D HA 0.056 4.696 4.640 0.000 0.000 0.216 562 D C -0.652 175.569 176.300 -0.131 0.000 1.128 562 D CA -0.032 53.944 54.000 -0.039 0.000 0.833 562 D CB -0.051 40.762 40.800 0.021 0.000 0.971 562 D HN 0.174 nan 8.370 nan 0.000 0.503 563 N N 0.761 119.376 118.700 -0.141 0.000 2.629 563 N HA -0.195 4.545 4.740 0.000 0.000 0.278 563 N C -0.376 175.027 175.510 -0.179 0.000 1.102 563 N CA 0.593 53.525 53.050 -0.197 0.000 0.759 563 N CB -1.132 37.093 38.487 -0.436 0.000 0.911 563 N HN 0.406 nan 8.380 nan 0.000 0.553 564 C N -2.944 116.331 119.300 -0.042 0.000 3.323 564 C HA 0.766 5.226 4.460 0.000 0.000 0.324 564 C C 1.217 176.342 174.990 0.224 0.000 1.428 564 C CA -0.713 58.356 59.018 0.085 0.000 1.368 564 C CB 1.550 29.367 27.740 0.130 0.000 1.731 564 C HN 0.524 nan 8.230 nan 0.000 0.455 565 C N 0.179 119.674 119.300 0.325 0.000 3.095 565 C HA 0.491 4.952 4.460 0.000 0.000 0.472 565 C C 0.672 175.839 174.990 0.296 0.000 1.348 565 C CA 0.654 59.875 59.018 0.338 0.000 2.206 565 C CB -0.179 27.686 27.740 0.208 0.000 3.088 565 C HN 0.969 nan 8.230 nan 0.000 0.599 566 V N 1.610 121.599 119.914 0.124 0.000 2.864 566 V HA 0.710 4.830 4.120 0.000 0.000 0.314 566 V C -0.595 175.241 176.094 -0.431 0.000 1.073 566 V CA -0.616 61.531 62.300 -0.256 0.000 0.956 566 V CB 1.442 33.193 31.823 -0.120 0.000 1.023 566 V HN 0.444 nan 8.190 nan 0.000 0.435 567 N N 1.184 119.421 118.700 -0.772 0.000 2.443 567 N HA 0.257 4.997 4.740 0.000 0.000 0.294 567 N C 0.927 176.297 175.510 -0.234 0.000 1.289 567 N CA 0.243 53.026 53.050 -0.445 0.000 0.966 567 N CB -0.210 38.011 38.487 -0.443 0.000 1.122 567 N HN 0.919 nan 8.380 nan 0.000 0.569 568 T N -5.062 109.395 114.554 -0.161 0.000 3.169 568 T HA 0.136 4.486 4.350 0.000 0.000 0.250 568 T C -0.109 174.510 174.700 -0.135 0.000 1.111 568 T CA 0.119 62.131 62.100 -0.147 0.000 1.010 568 T CB -0.402 68.389 68.868 -0.127 0.000 0.984 568 T HN 0.418 nan 8.240 nan 0.000 0.537 569 D N 1.099 121.399 120.400 -0.166 0.000 2.363 569 D HA 0.195 4.835 4.640 0.000 0.000 0.214 569 D C 0.462 176.756 176.300 -0.010 0.000 1.093 569 D CA -0.001 53.918 54.000 -0.134 0.000 0.837 569 D CB 0.285 40.859 40.800 -0.376 0.000 0.948 569 D HN 0.318 nan 8.370 nan 0.000 0.507 570 S N 0.335 115.997 115.700 -0.062 0.000 3.476 570 S HA -0.245 4.226 4.470 0.000 0.000 0.309 570 S C 0.565 175.148 174.600 -0.029 0.000 1.222 570 S CA 0.417 58.624 58.200 0.012 0.000 0.922 570 S CB -1.287 62.008 63.200 0.158 0.000 1.023 570 S HN 0.436 nan 8.310 nan 0.000 0.591 571 R N 1.153 121.503 120.500 -0.250 0.000 2.308 571 R HA 0.421 4.761 4.340 0.000 0.000 0.305 571 R C 0.043 176.036 176.300 -0.512 0.000 1.053 571 R CA -0.364 55.397 56.100 -0.565 0.000 0.957 571 R CB 0.640 30.583 30.300 -0.595 0.000 1.022 571 R HN 0.148 nan 8.270 nan 0.000 0.461 572 V N 6.274 125.925 119.914 -0.437 0.000 2.540 572 V HA -0.034 4.086 4.120 0.000 0.000 0.297 572 V C 0.224 176.260 176.094 -0.096 0.000 1.024 572 V CA 0.314 62.455 62.300 -0.265 0.000 1.105 572 V CB -0.224 31.416 31.823 -0.305 0.000 0.938 572 V HN 0.552 nan 8.190 nan 0.000 0.482 573 F N 3.866 123.850 119.950 0.057 0.000 2.623 573 F HA 0.370 4.897 4.527 0.000 0.000 0.383 573 F C 1.598 177.543 175.800 0.241 0.000 1.077 573 F CA 1.659 59.724 58.000 0.110 0.000 1.268 573 F CB -0.076 38.980 39.000 0.095 0.000 1.053 573 F HN 0.798 nan 8.300 nan 0.000 0.571 574 G N 2.093 111.087 108.800 0.322 0.000 2.241 574 G HA2 -0.295 3.665 3.960 0.000 0.000 0.244 574 G HA3 -0.295 3.665 3.960 0.000 0.000 0.244 574 G C -0.152 174.705 174.900 -0.072 0.000 0.998 574 G CA -0.457 44.727 45.100 0.138 0.000 0.621 574 G HN 0.442 nan 8.290 nan 0.000 0.519 575 F N 0.697 120.677 119.950 0.051 0.000 2.444 575 F HA 0.638 5.165 4.527 -0.000 0.000 0.342 575 F C 1.182 176.968 175.800 -0.023 0.000 1.121 575 F CA -0.637 57.377 58.000 0.024 0.000 0.997 575 F CB 1.965 40.983 39.000 0.031 0.000 1.130 575 F HN -0.057 nan 8.300 nan 0.000 0.454 576 K N 1.407 121.914 120.400 0.178 0.000 2.167 576 K HA -0.063 4.257 4.320 0.000 0.000 0.203 576 K C 0.743 177.572 176.600 0.381 0.000 1.052 576 K CA 1.095 57.524 56.287 0.236 0.000 0.956 576 K CB 0.151 32.793 32.500 0.236 0.000 0.735 576 K HN 0.674 nan 8.250 nan 0.000 0.451 577 N N 0.331 119.229 118.700 0.331 0.000 2.433 577 N HA 0.059 4.799 4.740 0.000 0.000 0.270 577 N C -1.136 174.523 175.510 0.249 0.000 1.354 577 N CA -0.381 52.915 53.050 0.410 0.000 0.889 577 N CB 0.300 39.056 38.487 0.448 0.000 1.285 577 N HN -0.040 nan 8.380 nan 0.000 0.503 578 L N 0.510 121.614 121.223 -0.199 0.000 2.409 578 L HA 0.711 5.051 4.340 0.000 0.000 0.272 578 L C -1.915 174.546 176.870 -0.681 0.000 0.980 578 L CA -0.599 54.105 54.840 -0.227 0.000 0.826 578 L CB 1.088 43.020 42.059 -0.212 0.000 1.268 578 L HN -0.004 nan 8.230 nan 0.000 0.407 579 F N 4.892 124.774 119.950 -0.112 0.000 2.576 579 F HA 0.677 5.204 4.527 0.000 0.000 0.313 579 F C -0.672 174.989 175.800 -0.231 0.000 1.078 579 F CA -0.726 57.187 58.000 -0.146 0.000 0.921 579 F CB 1.883 40.820 39.000 -0.105 0.000 1.232 579 F HN 0.172 nan 8.300 nan 0.000 0.459 580 L N 1.881 123.087 121.223 -0.027 0.000 2.346 580 L HA 0.887 5.227 4.340 0.000 0.000 0.276 580 L C -0.023 176.883 176.870 0.061 0.000 1.006 580 L CA -0.858 53.900 54.840 -0.137 0.000 0.817 580 L CB 2.015 43.850 42.059 -0.373 0.000 1.272 580 L HN 0.801 nan 8.230 nan 0.000 0.421 581 G N 0.495 109.342 108.800 0.079 0.000 2.542 581 G HA2 0.785 4.745 3.960 0.000 0.000 0.311 581 G HA3 0.785 4.745 3.960 0.000 0.000 0.311 581 G C -0.528 174.502 174.900 0.217 0.000 1.298 581 G CA -0.305 44.949 45.100 0.257 0.000 0.973 581 G HN 0.956 nan 8.290 nan 0.000 0.487 582 G N -0.909 108.015 108.800 0.207 0.000 2.361 582 G HA2 0.135 4.095 3.960 0.000 0.000 0.331 582 G HA3 0.135 4.095 3.960 0.000 0.000 0.331 582 G C 0.681 175.646 174.900 0.109 0.000 1.324 582 G CA 0.076 45.275 45.100 0.165 0.000 0.984 582 G HN 1.095 nan 8.290 nan 0.000 0.586 583 C N 0.357 119.701 119.300 0.074 0.000 2.422 583 C HA 0.209 4.669 4.460 0.000 0.000 0.286 583 C C 2.865 177.852 174.990 -0.005 0.000 1.412 583 C CA 1.653 60.692 59.018 0.036 0.000 1.786 583 C CB -1.178 26.618 27.740 0.094 0.000 1.835 583 C HN 1.192 nan 8.230 nan 0.000 0.533 584 G N 0.844 109.567 108.800 -0.128 0.000 2.679 584 G HA2 -0.130 3.830 3.960 0.000 0.000 0.212 584 G HA3 -0.130 3.830 3.960 0.000 0.000 0.212 584 G C 1.371 175.844 174.900 -0.711 0.000 1.137 584 G CA 0.341 45.142 45.100 -0.498 0.000 0.787 584 G HN 0.539 nan 8.290 nan 0.000 0.534 585 N N 0.479 119.007 118.700 -0.286 0.000 2.354 585 N HA 0.024 4.764 4.740 0.000 0.000 0.179 585 N C 0.917 176.430 175.510 0.004 0.000 1.021 585 N CA 0.140 53.178 53.050 -0.020 0.000 0.887 585 N CB 0.135 38.682 38.487 0.100 0.000 0.974 585 N HN 0.290 nan 8.380 nan 0.000 0.437 586 I N 3.316 123.887 120.570 0.003 0.000 2.581 586 I HA 0.006 4.176 4.170 0.000 0.000 0.285 586 I C -1.259 174.938 176.117 0.132 0.000 1.129 586 I CA -0.900 60.422 61.300 0.038 0.000 1.397 586 I CB 1.168 39.125 38.000 -0.071 0.000 1.399 586 I HN -0.026 nan 8.210 nan 0.000 0.537 587 P HA 0.044 nan 4.420 nan 0.000 0.252 587 P C 0.367 177.766 177.300 0.164 0.000 1.218 587 P CA 0.278 63.448 63.100 0.117 0.000 0.807 587 P CB 0.165 31.894 31.700 0.048 0.000 1.072 588 T N -1.918 112.770 114.554 0.224 0.000 2.849 588 T HA 0.649 4.999 4.350 0.000 0.000 0.276 588 T C 0.277 175.147 174.700 0.283 0.000 0.971 588 T CA -0.822 61.411 62.100 0.222 0.000 0.949 588 T CB 0.820 69.798 68.868 0.184 0.000 1.093 588 T HN 0.060 nan 8.240 nan 0.000 0.545 589 A N 1.676 124.596 122.820 0.168 0.000 2.310 589 A HA 0.607 4.927 4.320 0.000 0.000 0.300 589 A C -0.688 176.927 177.584 0.052 0.000 1.269 589 A CA -0.848 51.239 52.037 0.084 0.000 0.909 589 A CB -0.915 18.139 19.000 0.091 0.000 1.144 589 A HN 0.866 nan 8.150 nan 0.000 0.540 590 Y N -0.460 119.822 120.300 -0.030 0.000 2.512 590 Y HA 0.715 5.265 4.550 0.000 0.000 0.348 590 Y C 0.675 176.509 175.900 -0.110 0.000 0.990 590 Y CA -0.718 57.204 58.100 -0.296 0.000 1.033 590 Y CB 1.383 39.522 38.460 -0.537 0.000 1.259 590 Y HN 0.385 nan 8.280 nan 0.000 0.461 591 G N 0.495 109.272 108.800 -0.039 0.000 2.743 591 G HA2 0.415 4.375 3.960 0.000 0.000 0.206 591 G HA3 0.415 4.375 3.960 0.000 0.000 0.206 591 G C 0.391 175.416 174.900 0.208 0.000 1.115 591 G CA 0.184 45.431 45.100 0.245 0.000 0.782 591 G HN 0.951 nan 8.290 nan 0.000 0.524 592 A N 0.783 123.518 122.820 -0.142 0.000 2.346 592 A HA 0.506 4.826 4.320 0.000 0.000 0.252 592 A C -0.129 177.386 177.584 -0.115 0.000 1.089 592 A CA -0.494 51.330 52.037 -0.356 0.000 0.797 592 A CB 0.115 18.846 19.000 -0.448 0.000 1.047 592 A HN 0.336 nan 8.150 nan 0.000 0.494 593 N N 1.737 120.273 118.700 -0.273 0.000 2.497 593 N HA 0.298 5.038 4.740 0.000 0.000 0.268 593 N C -2.173 173.308 175.510 -0.049 0.000 1.171 593 N CA -1.277 51.583 53.050 -0.316 0.000 0.948 593 N CB 0.408 38.762 38.487 -0.220 0.000 1.069 593 N HN 0.345 nan 8.380 nan 0.000 0.460 594 P HA 0.002 nan 4.420 nan 0.000 0.235 594 P C 0.610 177.829 177.300 -0.135 0.000 1.177 594 P CA 0.719 63.772 63.100 -0.078 0.000 0.785 594 P CB 0.284 31.941 31.700 -0.072 0.000 0.885 595 T N 1.010 115.556 114.554 -0.015 0.000 2.746 595 T HA -0.137 4.213 4.350 0.000 0.000 0.267 595 T C 1.748 176.525 174.700 0.129 0.000 1.039 595 T CA 1.031 63.170 62.100 0.066 0.000 1.142 595 T CB -0.852 68.085 68.868 0.114 0.000 0.866 595 T HN 0.022 nan 8.240 nan 0.000 0.444 596 L N 0.964 122.280 121.223 0.155 0.000 2.131 596 L HA -0.083 4.257 4.340 0.000 0.000 0.210 596 L C 2.439 179.393 176.870 0.140 0.000 1.092 596 L CA 1.646 56.624 54.840 0.229 0.000 0.759 596 L CB -0.871 41.300 42.059 0.185 0.000 0.903 596 L HN 0.180 nan 8.230 nan 0.000 0.435 597 T N -0.503 114.009 114.554 -0.071 0.000 2.857 597 T HA -0.073 4.277 4.350 0.000 0.000 0.266 597 T C 1.910 176.550 174.700 -0.100 0.000 1.048 597 T CA 1.085 63.083 62.100 -0.170 0.000 1.139 597 T CB -0.387 67.977 68.868 -0.839 0.000 0.874 597 T HN 0.513 nan 8.240 nan 0.000 0.455 598 A N 1.523 124.281 122.820 -0.104 0.000 1.933 598 A HA -0.054 4.266 4.320 0.000 0.000 0.218 598 A C 2.293 179.857 177.584 -0.034 0.000 1.175 598 A CA 1.707 53.718 52.037 -0.043 0.000 0.628 598 A CB -0.699 18.294 19.000 -0.013 0.000 0.814 598 A HN 0.521 nan 8.150 nan 0.000 0.444 599 M N -0.289 119.299 119.600 -0.021 0.000 2.086 599 M HA -0.142 4.338 4.480 0.000 0.000 0.261 599 M C 2.160 178.383 176.300 -0.127 0.000 1.067 599 M CA 2.115 57.373 55.300 -0.070 0.000 1.116 599 M CB -0.163 32.403 32.600 -0.056 0.000 1.348 599 M HN 0.375 nan 8.290 nan 0.000 0.407 600 S N 1.241 116.882 115.700 -0.098 0.000 2.359 600 S HA -0.158 4.312 4.470 0.000 0.000 0.224 600 S C 1.762 176.193 174.600 -0.282 0.000 1.035 600 S CA 1.601 59.682 58.200 -0.198 0.000 1.018 600 S CB -0.639 62.438 63.200 -0.205 0.000 0.876 600 S HN 0.518 nan 8.310 nan 0.000 0.448 601 L N 1.110 122.209 121.223 -0.207 0.000 2.046 601 L HA -0.140 4.200 4.340 0.000 0.000 0.208 601 L C 2.814 179.559 176.870 -0.209 0.000 1.077 601 L CA 1.194 55.907 54.840 -0.212 0.000 0.747 601 L CB -0.764 41.242 42.059 -0.088 0.000 0.896 601 L HN 0.328 nan 8.230 nan 0.000 0.432 602 A N 0.470 123.163 122.820 -0.211 0.000 1.902 602 A HA -0.182 4.138 4.320 0.000 0.000 0.217 602 A C 2.235 179.506 177.584 -0.521 0.000 1.181 602 A CA 1.500 53.301 52.037 -0.393 0.000 0.623 602 A CB -0.683 18.090 19.000 -0.378 0.000 0.818 602 A HN 0.338 nan 8.150 nan 0.000 0.443 603 I N -0.457 119.895 120.570 -0.364 0.000 2.151 603 I HA -0.342 3.828 4.170 0.000 0.000 0.243 603 I C 2.603 178.557 176.117 -0.273 0.000 1.080 603 I CA 2.069 63.185 61.300 -0.306 0.000 1.339 603 I CB -0.317 37.515 38.000 -0.280 0.000 1.039 603 I HN 0.373 nan 8.210 nan 0.000 0.409 604 K N 0.429 120.667 120.400 -0.270 0.000 2.063 604 K HA -0.231 4.089 4.320 0.000 0.000 0.208 604 K C 2.382 178.899 176.600 -0.137 0.000 1.048 604 K CA 1.836 57.995 56.287 -0.215 0.000 0.928 604 K CB -0.142 32.198 32.500 -0.266 0.000 0.713 604 K HN 0.180 nan 8.250 nan 0.000 0.442 605 S N 0.179 115.786 115.700 -0.155 0.000 2.365 605 S HA -0.193 4.277 4.470 0.000 0.000 0.225 605 S C 2.081 176.619 174.600 -0.104 0.000 1.039 605 S CA 1.628 59.790 58.200 -0.064 0.000 1.033 605 S CB -0.446 62.751 63.200 -0.005 0.000 0.887 605 S HN 0.544 nan 8.310 nan 0.000 0.447 606 C N 1.311 120.461 119.300 -0.250 0.000 2.432 606 C HA 0.062 4.522 4.460 0.000 0.000 0.280 606 C C 2.523 177.441 174.990 -0.121 0.000 1.353 606 C CA 0.565 59.449 59.018 -0.224 0.000 1.766 606 C CB -1.449 26.123 27.740 -0.280 0.000 1.924 606 C HN 0.681 nan 8.230 nan 0.000 0.509 607 E N -0.664 119.488 120.200 -0.081 0.000 2.106 607 E HA -0.219 4.131 4.350 0.000 0.000 0.192 607 E C 1.797 178.415 176.600 0.031 0.000 0.984 607 E CA 1.247 57.627 56.400 -0.033 0.000 0.806 607 E CB -0.238 29.433 29.700 -0.048 0.000 0.750 607 E HN 0.834 nan 8.360 nan 0.000 0.458 608 Y N 1.178 121.448 120.300 -0.050 0.000 2.163 608 Y HA -0.196 4.354 4.550 0.000 0.000 0.288 608 Y C 1.993 177.912 175.900 0.032 0.000 1.136 608 Y CA 1.409 59.517 58.100 0.015 0.000 1.147 608 Y CB -0.068 38.438 38.460 0.076 0.000 0.987 608 Y HN -0.055 nan 8.280 nan 0.000 0.509 609 I N 0.504 121.101 120.570 0.045 0.000 2.151 609 I HA -0.376 3.794 4.170 0.000 0.000 0.243 609 I C 2.233 178.339 176.117 -0.019 0.000 1.080 609 I CA 1.814 63.082 61.300 -0.053 0.000 1.339 609 I CB -0.414 37.380 38.000 -0.343 0.000 1.039 609 I HN 0.242 nan 8.210 nan 0.000 0.409 610 K N 0.069 120.441 120.400 -0.046 0.000 2.209 610 K HA -0.185 4.135 4.320 0.000 0.000 0.204 610 K C 1.885 178.531 176.600 0.078 0.000 1.048 610 K CA 0.939 57.282 56.287 0.093 0.000 0.940 610 K CB -0.013 32.534 32.500 0.079 0.000 0.729 610 K HN 0.313 nan 8.250 nan 0.000 0.451 611 Q N -0.289 119.478 119.800 -0.056 0.000 2.408 611 Q HA 0.090 4.430 4.340 0.000 0.000 0.205 611 Q C 0.827 176.717 176.000 -0.183 0.000 0.919 611 Q CA 0.645 56.384 55.803 -0.106 0.000 0.932 611 Q CB 0.522 29.182 28.738 -0.130 0.000 1.058 611 Q HN 0.315 nan 8.270 nan 0.000 0.517 612 N N -0.997 117.550 118.700 -0.254 0.000 2.166 612 N HA 0.145 4.886 4.740 0.000 0.000 0.213 612 N C -0.814 174.338 175.510 -0.598 0.000 1.222 612 N CA 0.158 52.940 53.050 -0.448 0.000 0.900 612 N CB 1.064 39.134 38.487 -0.694 0.000 1.055 612 N HN 0.030 nan 8.380 nan 0.000 0.515 613 F N 0.510 120.468 119.950 0.013 0.000 2.556 613 F HA 0.365 4.892 4.527 -0.000 0.000 0.314 613 F C 0.102 176.034 175.800 0.221 0.000 1.106 613 F CA -0.635 57.436 58.000 0.118 0.000 0.911 613 F CB 1.949 41.022 39.000 0.122 0.000 1.190 613 F HN -0.382 nan 8.300 nan 0.000 0.448 614 T N 3.560 118.294 114.554 0.299 0.000 2.794 614 T HA 0.437 4.787 4.350 0.000 0.000 0.280 614 T C -2.636 172.077 174.700 0.021 0.000 0.987 614 T CA -1.546 60.619 62.100 0.107 0.000 0.993 614 T CB 1.322 70.210 68.868 0.033 0.000 0.939 614 T HN 0.128 nan 8.240 nan 0.000 0.449 615 P HA 0.142 nan 4.420 nan 0.000 0.268 615 P C 0.091 177.313 177.300 -0.129 0.000 1.204 615 P CA -0.405 62.466 63.100 -0.381 0.000 0.768 615 P CB 0.245 31.559 31.700 -0.643 0.000 0.842 616 S N 4.116 119.782 115.700 -0.056 0.000 2.566 616 S HA 0.207 4.677 4.470 0.000 0.000 0.280 616 S C -1.927 172.648 174.600 -0.041 0.000 1.343 616 S CA -0.898 57.282 58.200 -0.034 0.000 1.036 616 S CB -0.832 62.348 63.200 -0.033 0.000 0.866 616 S HN 0.357 nan 8.310 nan 0.000 0.526 617 P HA 0.214 nan 4.420 nan 0.000 0.275 617 P C -0.206 177.133 177.300 0.065 0.000 1.228 617 P CA -0.581 62.534 63.100 0.025 0.000 0.786 617 P CB 0.350 32.068 31.700 0.031 0.000 0.927 618 F N 0.000 119.928 119.950 -0.037 0.000 2.286 618 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 618 F CA 0.000 57.984 58.000 -0.026 0.000 1.383 618 F CB 0.000 38.986 39.000 -0.023 0.000 1.145 618 F HN 0.000 nan 8.300 nan 0.000 0.574