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 1llq_1_A DATA FIRST_RESID 2 DATA SEQUENCE SVAHHEDVYS HNLPPMDEKE MALYKLYRPE RVTPKKRSAE LLKEPRLNKG DATA SEQUENCE MGFSLYERQY LGLHGLLPPA FMTQEQQAYR VITKLREQPN DLARYIQLDG DATA SEQUENCE LQDRNEKLFY RVVCDHVKEL MPIVYTPTVG LACQNFGYIY RKPKGLYITI DATA SEQUENCE NDNSVSKIYQ ILSNWHEEDV RAIVVTDGER ILGLGDLGAY GIGIPVGKLA DATA SEQUENCE LYVALGGVQP KWCLPVLLDV GTNNMDLLND PFYIGLRHKR VRGKDYDTLL DATA SEQUENCE DNFMKACTKK YGQKTLIQFE DFANPNAFRL LDKYQDKYTM FNDDIQGTAS DATA SEQUENCE VIVAGLLTCT RVTKKLVSQE KYLFFGAGAA STGIAEMIVH QMQNEGISKE DATA SEQUENCE EACNRIYLMD IDGLVTKNRK EMNPRHVQFA KDMPETTSIL EVIRAARPGA DATA SEQUENCE LIGASTVRGA FNEEVIRAMA EINERPIIFA LSNPTSKAEC TAEEAYTFTN DATA SEQUENCE GAALYASGSP FPNFELNGHT YKPGQGNNAY IFPGVALGTI LFQIRHVDND DATA SEQUENCE LFLLAAKKVA SCVTEDSLKV GRVYPQLKEI REISIQIAVE MAKYCYKNGT DATA SEQUENCE ANLYPQPEDL EKYVRAQVYN TEYEELINAT YDWPEQDMRH GFPVPVVRH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.606 174.600 0.010 0.000 1.055 2 S CA 0.000 58.201 58.200 0.002 0.000 1.107 2 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 3 V N 2.105 122.039 119.914 0.034 0.000 2.924 3 V HA 0.617 4.737 4.120 -0.000 0.000 0.305 3 V C 1.434 177.519 176.094 -0.015 0.000 1.073 3 V CA 0.361 62.665 62.300 0.007 0.000 1.098 3 V CB 1.016 32.851 31.823 0.021 0.000 1.000 3 V HN 1.362 nan 8.190 nan 0.000 0.484 4 A N 2.428 125.163 122.820 -0.142 0.000 2.386 4 A HA 0.213 4.533 4.320 -0.000 0.000 0.246 4 A C 1.090 178.518 177.584 -0.261 0.000 1.089 4 A CA 0.574 52.438 52.037 -0.288 0.000 0.790 4 A CB -0.212 18.363 19.000 -0.708 0.000 1.042 4 A HN 1.253 nan 8.150 nan 0.000 0.497 5 H N -0.786 118.189 119.070 -0.158 0.000 2.524 5 H HA -0.062 4.494 4.556 -0.000 0.000 0.282 5 H C 0.993 176.306 175.328 -0.024 0.000 1.016 5 H CA 2.024 58.069 56.048 -0.004 0.000 1.270 5 H CB -0.510 29.300 29.762 0.080 0.000 1.394 5 H HN 0.895 nan 8.280 nan 0.000 0.568 6 H N -1.561 117.272 119.070 -0.396 0.000 2.551 6 H HA 0.391 4.947 4.556 -0.000 0.000 0.271 6 H C -0.161 175.099 175.328 -0.113 0.000 0.984 6 H CA -0.528 55.377 56.048 -0.239 0.000 1.164 6 H CB 0.104 29.666 29.762 -0.334 0.000 1.437 6 H HN 0.459 nan 8.280 nan 0.000 0.550 7 E N 0.282 120.363 120.200 -0.198 0.000 2.243 7 E HA 0.234 4.584 4.350 -0.000 0.000 0.260 7 E C -0.823 175.721 176.600 -0.093 0.000 0.985 7 E CA -1.060 55.294 56.400 -0.077 0.000 0.858 7 E CB 1.413 31.049 29.700 -0.106 0.000 1.210 7 E HN 0.187 nan 8.360 nan 0.000 0.411 8 D N 0.353 120.704 120.400 -0.081 0.000 2.385 8 D HA 0.256 4.896 4.640 -0.000 0.000 0.254 8 D C -0.783 175.407 176.300 -0.183 0.000 1.053 8 D CA -0.708 53.197 54.000 -0.158 0.000 0.992 8 D CB 1.563 42.294 40.800 -0.116 0.000 1.145 8 D HN 0.203 nan 8.370 nan 0.000 0.523 9 V N 1.026 120.732 119.914 -0.346 0.000 2.881 9 V HA 0.228 4.348 4.120 -0.000 0.000 0.303 9 V C -0.068 175.744 176.094 -0.470 0.000 1.070 9 V CA -0.603 61.457 62.300 -0.399 0.000 1.074 9 V CB -0.193 31.288 31.823 -0.570 0.000 1.012 9 V HN 0.720 nan 8.190 nan 0.000 0.482 10 Y N 1.159 121.540 120.300 0.136 0.000 2.958 10 Y HA -0.187 4.363 4.550 -0.000 0.000 0.212 10 Y C 0.479 176.525 175.900 0.244 0.000 1.168 10 Y CA 0.775 59.022 58.100 0.244 0.000 0.896 10 Y CB -2.860 35.708 38.460 0.180 0.000 1.183 10 Y HN 0.621 nan 8.280 nan 0.000 0.476 11 S N -0.308 115.586 115.700 0.322 0.000 2.751 11 S HA 0.185 4.655 4.470 -0.000 0.000 0.247 11 S C 0.087 174.799 174.600 0.187 0.000 1.103 11 S CA -0.304 58.026 58.200 0.217 0.000 1.090 11 S CB -0.288 62.990 63.200 0.131 0.000 0.928 11 S HN 0.850 nan 8.310 nan 0.000 0.502 12 H N -0.295 118.831 119.070 0.093 0.000 2.508 12 H HA 0.586 5.142 4.556 -0.000 0.000 0.358 12 H C 0.427 175.782 175.328 0.045 0.000 1.212 12 H CA -0.748 55.336 56.048 0.061 0.000 1.356 12 H CB 0.130 29.930 29.762 0.062 0.000 1.525 12 H HN 0.081 nan 8.280 nan 0.000 0.578 13 N N 0.145 118.879 118.700 0.058 0.000 2.696 13 N HA -0.207 4.533 4.740 -0.000 0.000 0.271 13 N C -1.464 173.996 175.510 -0.083 0.000 0.997 13 N CA 0.415 53.456 53.050 -0.015 0.000 0.801 13 N CB -0.842 37.644 38.487 -0.002 0.000 0.913 13 N HN 0.576 nan 8.380 nan 0.000 0.557 14 L N 0.946 122.122 121.223 -0.077 0.000 2.352 14 L HA 0.653 4.993 4.340 -0.000 0.000 0.269 14 L C -1.323 175.478 176.870 -0.116 0.000 1.034 14 L CA -1.929 52.833 54.840 -0.130 0.000 0.806 14 L CB 0.980 42.936 42.059 -0.172 0.000 1.244 14 L HN 0.250 nan 8.230 nan 0.000 0.447 15 P HA 0.216 nan 4.420 nan 0.000 0.276 15 P C -2.595 174.645 177.300 -0.101 0.000 1.230 15 P CA -1.196 61.841 63.100 -0.105 0.000 0.776 15 P CB -0.077 31.558 31.700 -0.108 0.000 0.888 16 P HA 0.023 nan 4.420 nan 0.000 0.259 16 P C -0.317 176.948 177.300 -0.058 0.000 1.155 16 P CA 1.200 64.269 63.100 -0.052 0.000 0.759 16 P CB 0.110 31.789 31.700 -0.035 0.000 0.753 17 M N 2.093 121.660 119.600 -0.054 0.000 2.393 17 M HA 0.209 4.689 4.480 -0.000 0.000 0.299 17 M C -0.098 176.187 176.300 -0.025 0.000 1.103 17 M CA -0.874 54.397 55.300 -0.048 0.000 0.910 17 M CB 2.358 34.914 32.600 -0.074 0.000 1.659 17 M HN 0.275 nan 8.290 nan 0.000 0.445 18 D N 2.426 122.816 120.400 -0.016 0.000 2.414 18 D HA -0.028 4.612 4.640 -0.000 0.000 0.242 18 D C 0.757 177.054 176.300 -0.004 0.000 1.129 18 D CA 0.613 54.607 54.000 -0.009 0.000 0.885 18 D CB 1.221 42.017 40.800 -0.005 0.000 1.198 18 D HN 0.808 nan 8.370 nan 0.000 0.437 19 E N 2.674 122.871 120.200 -0.004 0.000 2.108 19 E HA -0.327 4.023 4.350 -0.000 0.000 0.203 19 E C 1.586 178.185 176.600 -0.001 0.000 1.022 19 E CA 1.777 58.175 56.400 -0.002 0.000 0.823 19 E CB 0.119 29.815 29.700 -0.005 0.000 0.744 19 E HN 0.347 nan 8.360 nan 0.000 0.456 20 K N 0.939 121.336 120.400 -0.005 0.000 2.097 20 K HA -0.153 4.167 4.320 -0.000 0.000 0.205 20 K C 1.718 178.316 176.600 -0.004 0.000 1.050 20 K CA 1.854 58.136 56.287 -0.009 0.000 0.938 20 K CB -0.036 32.458 32.500 -0.009 0.000 0.718 20 K HN 0.191 nan 8.250 nan 0.000 0.442 21 E N -0.313 119.891 120.200 0.006 0.000 2.106 21 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 21 E C 1.875 178.504 176.600 0.048 0.000 0.984 21 E CA 1.385 57.797 56.400 0.020 0.000 0.806 21 E CB -0.189 29.518 29.700 0.011 0.000 0.750 21 E HN 0.289 nan 8.360 nan 0.000 0.458 22 M N 1.188 120.814 119.600 0.043 0.000 2.086 22 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 22 M C 2.106 178.476 176.300 0.117 0.000 1.067 22 M CA 1.846 57.202 55.300 0.094 0.000 1.116 22 M CB -0.361 32.271 32.600 0.054 0.000 1.348 22 M HN 0.056 nan 8.290 nan 0.000 0.407 23 A N -0.174 122.667 122.820 0.034 0.000 1.902 23 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 23 A C 2.171 179.711 177.584 -0.073 0.000 1.181 23 A CA 1.871 53.899 52.037 -0.015 0.000 0.623 23 A CB -1.258 17.720 19.000 -0.036 0.000 0.818 23 A HN 0.588 nan 8.150 nan 0.000 0.443 24 L N -1.461 119.704 121.223 -0.096 0.000 2.083 24 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 24 L C 2.338 179.074 176.870 -0.223 0.000 1.083 24 L CA 2.408 57.090 54.840 -0.264 0.000 0.752 24 L CB -0.802 41.145 42.059 -0.187 0.000 0.899 24 L HN 0.567 nan 8.230 nan 0.000 0.433 25 Y N 0.154 120.393 120.300 -0.101 0.000 2.145 25 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 25 Y C 2.283 178.192 175.900 0.016 0.000 1.145 25 Y CA 1.796 59.896 58.100 -0.001 0.000 1.148 25 Y CB -0.255 38.215 38.460 0.017 0.000 0.981 25 Y HN 0.046 nan 8.280 nan 0.000 0.507 26 K N 0.249 120.508 120.400 -0.235 0.000 2.097 26 K HA -0.141 4.179 4.320 -0.000 0.000 0.206 26 K C 2.100 178.580 176.600 -0.199 0.000 1.049 26 K CA 1.253 57.360 56.287 -0.299 0.000 0.933 26 K CB -0.926 31.520 32.500 -0.091 0.000 0.717 26 K HN 0.411 nan 8.250 nan 0.000 0.442 27 L N -0.005 121.116 121.223 -0.169 0.000 2.056 27 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 27 L C 1.986 178.883 176.870 0.045 0.000 1.078 27 L CA 1.628 56.400 54.840 -0.114 0.000 0.749 27 L CB -0.456 41.468 42.059 -0.226 0.000 0.901 27 L HN 0.188 nan 8.230 nan 0.000 0.433 28 Y N -0.018 120.276 120.300 -0.011 0.000 2.397 28 Y HA 0.032 4.582 4.550 -0.000 0.000 0.292 28 Y C 1.197 177.075 175.900 -0.037 0.000 1.115 28 Y CA -0.433 57.690 58.100 0.039 0.000 1.208 28 Y CB -0.126 38.392 38.460 0.098 0.000 1.046 28 Y HN 0.179 nan 8.280 nan 0.000 0.552 29 R N 3.083 123.575 120.500 -0.013 0.000 2.697 29 R HA 0.054 4.394 4.340 -0.000 0.000 0.265 29 R C -2.738 173.549 176.300 -0.021 0.000 1.009 29 R CA -1.283 54.761 56.100 -0.094 0.000 1.099 29 R CB -0.756 29.309 30.300 -0.391 0.000 0.965 29 R HN -0.060 nan 8.270 nan 0.000 0.428 30 P HA 0.056 nan 4.420 nan 0.000 0.271 30 P C -0.918 176.374 177.300 -0.013 0.000 1.216 30 P CA 0.111 63.204 63.100 -0.012 0.000 0.776 30 P CB 0.906 32.581 31.700 -0.040 0.000 0.881 31 E N 1.932 122.143 120.200 0.018 0.000 2.248 31 E HA 0.274 4.624 4.350 -0.000 0.000 0.272 31 E C 0.265 176.833 176.600 -0.053 0.000 1.008 31 E CA -0.941 55.493 56.400 0.056 0.000 0.856 31 E CB 1.578 31.358 29.700 0.134 0.000 1.120 31 E HN 0.410 nan 8.360 nan 0.000 0.397 32 R N 0.820 121.230 120.500 -0.149 0.000 2.590 32 R HA 0.234 4.574 4.340 -0.000 0.000 0.274 32 R C -0.868 175.434 176.300 0.002 0.000 1.061 32 R CA -0.108 55.894 56.100 -0.164 0.000 1.081 32 R CB 0.458 30.615 30.300 -0.238 0.000 0.984 32 R HN 0.180 nan 8.270 nan 0.000 0.448 33 V N 3.937 123.849 119.914 -0.003 0.000 2.409 33 V HA 0.204 4.324 4.120 -0.000 0.000 0.290 33 V C -0.360 175.752 176.094 0.030 0.000 1.017 33 V CA -0.730 61.588 62.300 0.030 0.000 0.841 33 V CB 1.894 33.734 31.823 0.028 0.000 1.003 33 V HN 0.850 nan 8.190 nan 0.000 0.426 34 T N 7.664 122.242 114.554 0.040 0.000 2.817 34 T HA 0.415 4.765 4.350 -0.000 0.000 0.293 34 T C -1.907 172.812 174.700 0.032 0.000 0.964 34 T CA -0.584 61.537 62.100 0.034 0.000 1.085 34 T CB 1.332 70.219 68.868 0.032 0.000 0.921 34 T HN 0.590 nan 8.240 nan 0.000 0.502 35 P HA 0.340 nan 4.420 nan 0.000 0.274 35 P C 0.034 177.346 177.300 0.019 0.000 1.246 35 P CA -0.571 62.546 63.100 0.027 0.000 0.795 35 P CB 1.454 33.175 31.700 0.034 0.000 1.006 36 K N -0.022 120.387 120.400 0.014 0.000 2.352 36 K HA 0.105 4.425 4.320 -0.000 0.000 0.194 36 K C 0.683 177.283 176.600 0.001 0.000 1.038 36 K CA 0.356 56.649 56.287 0.009 0.000 1.023 36 K CB 0.239 32.745 32.500 0.010 0.000 0.840 36 K HN 0.386 nan 8.250 nan 0.000 0.519 37 K N 1.226 121.625 120.400 -0.002 0.000 2.118 37 K HA 0.294 4.614 4.320 -0.000 0.000 0.264 37 K C -0.077 176.512 176.600 -0.019 0.000 1.000 37 K CA -0.237 56.042 56.287 -0.012 0.000 0.929 37 K CB 1.268 33.758 32.500 -0.017 0.000 1.021 37 K HN -0.068 nan 8.250 nan 0.000 0.463 38 R N 0.454 120.938 120.500 -0.027 0.000 2.888 38 R HA 0.382 4.722 4.340 -0.000 0.000 0.264 38 R C -0.095 176.173 176.300 -0.052 0.000 1.045 38 R CA -0.612 55.464 56.100 -0.040 0.000 0.962 38 R CB 1.887 32.171 30.300 -0.028 0.000 1.210 38 R HN 0.851 nan 8.270 nan 0.000 0.479 39 S N 0.288 115.945 115.700 -0.070 0.000 3.711 39 S HA -0.359 4.111 4.470 -0.000 0.000 0.625 39 S C 1.350 175.909 174.600 -0.068 0.000 2.458 39 S CA 0.956 59.114 58.200 -0.070 0.000 4.059 39 S CB -1.439 61.732 63.200 -0.048 0.000 0.257 39 S HN 0.882 nan 8.310 nan 0.000 0.974 40 A N 0.963 123.751 122.820 -0.052 0.000 1.940 40 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 40 A C 1.939 179.498 177.584 -0.041 0.000 1.176 40 A CA 2.205 54.215 52.037 -0.045 0.000 0.631 40 A CB -0.804 18.171 19.000 -0.041 0.000 0.814 40 A HN 0.722 nan 8.150 nan 0.000 0.446 41 E N -0.663 119.513 120.200 -0.040 0.000 2.160 41 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 41 E C 1.954 178.533 176.600 -0.035 0.000 0.991 41 E CA 1.142 57.519 56.400 -0.039 0.000 0.810 41 E CB -0.226 29.453 29.700 -0.035 0.000 0.742 41 E HN 0.713 nan 8.360 nan 0.000 0.466 42 L N 0.593 121.795 121.223 -0.035 0.000 2.127 42 L HA -0.076 4.264 4.340 -0.000 0.000 0.203 42 L C 2.192 179.068 176.870 0.009 0.000 1.080 42 L CA 0.665 55.494 54.840 -0.018 0.000 0.768 42 L CB 0.003 42.039 42.059 -0.040 0.000 0.924 42 L HN 0.116 nan 8.230 nan 0.000 0.444 43 L N 0.052 121.271 121.223 -0.006 0.000 2.187 43 L HA -0.231 4.109 4.340 -0.000 0.000 0.213 43 L C 2.047 178.929 176.870 0.021 0.000 1.100 43 L CA 1.349 56.210 54.840 0.034 0.000 0.765 43 L CB -0.427 41.636 42.059 0.006 0.000 0.904 43 L HN 0.264 nan 8.230 nan 0.000 0.437 44 K N -0.559 119.834 120.400 -0.013 0.000 2.444 44 K HA 0.037 4.357 4.320 -0.000 0.000 0.193 44 K C 0.074 176.644 176.600 -0.050 0.000 1.024 44 K CA 0.093 56.360 56.287 -0.035 0.000 1.077 44 K CB 0.246 32.717 32.500 -0.049 0.000 0.833 44 K HN 0.061 nan 8.250 nan 0.000 0.517 45 E N 1.011 121.193 120.200 -0.030 0.000 2.055 45 E HA 0.097 4.447 4.350 -0.000 0.000 0.274 45 E C -2.096 174.495 176.600 -0.015 0.000 0.949 45 E CA -2.462 53.911 56.400 -0.044 0.000 0.775 45 E CB 1.382 31.065 29.700 -0.028 0.000 1.097 45 E HN -0.084 nan 8.360 nan 0.000 0.404 46 P HA -0.156 nan 4.420 nan 0.000 0.216 46 P C 1.027 178.347 177.300 0.033 0.000 1.154 46 P CA 1.271 64.362 63.100 -0.016 0.000 0.865 46 P CB 0.307 31.971 31.700 -0.059 0.000 0.789 47 R N -1.134 119.381 120.500 0.027 0.000 2.237 47 R HA 0.036 4.376 4.340 -0.000 0.000 0.219 47 R C 1.887 178.234 176.300 0.079 0.000 1.080 47 R CA 0.887 57.026 56.100 0.065 0.000 0.995 47 R CB -0.489 29.835 30.300 0.039 0.000 0.875 47 R HN 0.328 nan 8.270 nan 0.000 0.462 48 L N -0.888 120.377 121.223 0.071 0.000 2.547 48 L HA 0.135 4.475 4.340 -0.000 0.000 0.218 48 L C 0.658 177.605 176.870 0.128 0.000 1.048 48 L CA -0.347 54.555 54.840 0.103 0.000 0.859 48 L CB -0.181 41.945 42.059 0.112 0.000 1.128 48 L HN -0.032 nan 8.230 nan 0.000 0.483 49 N N 1.715 120.490 118.700 0.125 0.000 2.440 49 N HA -0.046 4.694 4.740 -0.000 0.000 0.265 49 N C 0.402 175.850 175.510 -0.103 0.000 1.239 49 N CA 0.717 53.856 53.050 0.148 0.000 0.909 49 N CB 0.609 39.171 38.487 0.125 0.000 1.066 49 N HN 0.100 nan 8.380 nan 0.000 0.474 50 K N 2.350 122.430 120.400 -0.534 0.000 2.358 50 K HA 0.218 4.538 4.320 -0.000 0.000 0.200 50 K C 1.091 177.446 176.600 -0.408 0.000 1.030 50 K CA 0.139 55.900 56.287 -0.875 0.000 1.097 50 K CB 0.223 31.596 32.500 -1.878 0.000 0.862 50 K HN 0.778 nan 8.250 nan 0.000 0.534 51 G N 2.322 111.078 108.800 -0.073 0.000 2.566 51 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.280 51 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.280 51 G C 0.642 175.588 174.900 0.075 0.000 1.225 51 G CA 0.299 45.435 45.100 0.060 0.000 0.966 51 G HN 0.203 nan 8.290 nan 0.000 0.560 52 M N 1.994 121.608 119.600 0.024 0.000 2.700 52 M HA 0.097 4.577 4.480 -0.000 0.000 0.249 52 M C 2.404 178.715 176.300 0.019 0.000 1.082 52 M CA 1.250 56.547 55.300 -0.005 0.000 1.077 52 M CB -0.327 32.241 32.600 -0.053 0.000 1.477 52 M HN 0.644 nan 8.290 nan 0.000 0.529 53 G N -0.124 108.644 108.800 -0.053 0.000 2.572 53 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.216 53 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.216 53 G C 0.286 175.093 174.900 -0.155 0.000 1.133 53 G CA -0.327 44.712 45.100 -0.102 0.000 0.791 53 G HN 0.296 nan 8.290 nan 0.000 0.538 54 F N 2.475 122.388 119.950 -0.062 0.000 2.543 54 F HA 0.246 4.772 4.527 -0.000 0.000 0.375 54 F C 1.528 177.415 175.800 0.145 0.000 1.075 54 F CA -0.533 57.464 58.000 -0.006 0.000 1.225 54 F CB 0.903 39.903 39.000 0.001 0.000 1.099 54 F HN 0.053 nan 8.300 nan 0.000 0.561 55 S N 4.040 119.935 115.700 0.326 0.000 2.608 55 S HA 0.077 4.547 4.470 -0.000 0.000 0.261 55 S C 0.924 175.679 174.600 0.257 0.000 1.314 55 S CA -0.895 57.444 58.200 0.232 0.000 0.992 55 S CB 1.001 64.228 63.200 0.045 0.000 0.935 55 S HN 0.703 nan 8.310 nan 0.000 0.564 56 L N 0.675 121.908 121.223 0.016 0.000 2.083 56 L HA 0.011 4.350 4.340 -0.000 0.000 0.209 56 L C 2.017 178.937 176.870 0.084 0.000 1.083 56 L CA 1.822 56.684 54.840 0.035 0.000 0.752 56 L CB -1.184 40.674 42.059 -0.335 0.000 0.899 56 L HN 0.789 nan 8.230 nan 0.000 0.433 57 Y N 0.533 120.840 120.300 0.013 0.000 2.163 57 Y HA -0.157 4.393 4.550 -0.000 0.000 0.288 57 Y C 2.621 178.642 175.900 0.201 0.000 1.136 57 Y CA 1.253 59.394 58.100 0.069 0.000 1.147 57 Y CB -0.973 37.572 38.460 0.141 0.000 0.987 57 Y HN 0.360 nan 8.280 nan 0.000 0.509 58 E N -0.076 120.344 120.200 0.366 0.000 2.085 58 E HA -0.233 4.116 4.350 -0.000 0.000 0.194 58 E C 2.292 178.976 176.600 0.141 0.000 0.994 58 E CA 1.270 57.844 56.400 0.290 0.000 0.801 58 E CB -0.166 29.738 29.700 0.341 0.000 0.743 58 E HN 0.450 nan 8.360 nan 0.000 0.453 59 R N 0.577 121.143 120.500 0.110 0.000 2.073 59 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 59 R C 2.460 178.778 176.300 0.030 0.000 1.134 59 R CA 1.428 57.541 56.100 0.022 0.000 0.952 59 R CB -0.204 30.185 30.300 0.149 0.000 0.850 59 R HN 0.239 nan 8.270 nan 0.000 0.433 60 Q N -0.526 119.275 119.800 0.001 0.000 2.084 60 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 60 Q C 1.810 177.768 176.000 -0.070 0.000 0.978 60 Q CA 1.623 57.380 55.803 -0.077 0.000 0.844 60 Q CB -0.177 28.440 28.738 -0.202 0.000 0.898 60 Q HN 0.441 nan 8.270 nan 0.000 0.426 61 Y N 0.482 120.773 120.300 -0.016 0.000 2.145 61 Y HA -0.167 4.383 4.550 -0.000 0.000 0.286 61 Y C 1.774 177.649 175.900 -0.041 0.000 1.145 61 Y CA 0.812 58.896 58.100 -0.027 0.000 1.148 61 Y CB 0.168 38.621 38.460 -0.011 0.000 0.981 61 Y HN 0.053 nan 8.280 nan 0.000 0.507 62 L N -0.834 120.451 121.223 0.103 0.000 2.611 62 L HA 0.212 4.552 4.340 -0.000 0.000 0.229 62 L C 1.338 178.180 176.870 -0.047 0.000 1.137 62 L CA 0.480 55.316 54.840 -0.007 0.000 0.901 62 L CB -0.454 41.540 42.059 -0.109 0.000 1.098 62 L HN 0.414 nan 8.230 nan 0.000 0.456 63 G N 0.539 109.326 108.800 -0.022 0.000 2.198 63 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.260 63 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.260 63 G C 0.630 175.500 174.900 -0.049 0.000 1.025 63 G CA 0.471 45.556 45.100 -0.025 0.000 0.769 63 G HN 0.406 nan 8.290 nan 0.000 0.507 64 L N -1.149 120.031 121.223 -0.071 0.000 2.463 64 L HA 0.264 4.604 4.340 -0.000 0.000 0.219 64 L C 1.443 178.309 176.870 -0.007 0.000 1.088 64 L CA -0.446 54.332 54.840 -0.104 0.000 0.849 64 L CB -0.122 41.774 42.059 -0.273 0.000 1.012 64 L HN 0.283 nan 8.230 nan 0.000 0.468 65 H N 1.307 120.342 119.070 -0.059 0.000 3.125 65 H HA 0.218 4.774 4.556 -0.000 0.000 0.310 65 H C 1.160 176.472 175.328 -0.027 0.000 0.980 65 H CA 0.884 56.919 56.048 -0.021 0.000 1.422 65 H CB 0.555 30.319 29.762 0.003 0.000 1.432 65 H HN 0.317 nan 8.280 nan 0.000 0.577 66 G N 3.364 111.908 108.800 -0.426 0.000 2.241 66 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 66 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 66 G C 1.086 175.886 174.900 -0.166 0.000 0.998 66 G CA 0.362 45.263 45.100 -0.332 0.000 0.621 66 G HN 0.607 nan 8.290 nan 0.000 0.519 67 L N 0.119 121.274 121.223 -0.114 0.000 2.509 67 L HA 0.462 4.802 4.340 -0.000 0.000 0.222 67 L C 1.013 177.842 176.870 -0.068 0.000 1.123 67 L CA 0.359 55.151 54.840 -0.079 0.000 0.856 67 L CB 0.045 42.065 42.059 -0.065 0.000 0.985 67 L HN 0.195 nan 8.230 nan 0.000 0.456 68 L N -1.045 120.133 121.223 -0.075 0.000 2.341 68 L HA 0.488 4.828 4.340 -0.000 0.000 0.267 68 L C -2.232 174.573 176.870 -0.108 0.000 1.009 68 L CA -1.991 52.808 54.840 -0.068 0.000 0.819 68 L CB 1.216 43.251 42.059 -0.040 0.000 1.323 68 L HN -0.265 nan 8.230 nan 0.000 0.425 69 P HA 0.081 nan 4.420 nan 0.000 0.269 69 P C -2.293 174.889 177.300 -0.197 0.000 1.215 69 P CA -0.870 62.156 63.100 -0.123 0.000 0.780 69 P CB -0.050 31.591 31.700 -0.097 0.000 0.898 70 P HA 0.112 nan 4.420 nan 0.000 0.261 70 P C -0.782 176.334 177.300 -0.306 0.000 1.650 70 P CA 0.431 63.416 63.100 -0.192 0.000 0.846 70 P CB -0.325 31.357 31.700 -0.030 0.000 1.758 71 A N 0.465 122.992 122.820 -0.488 0.000 2.401 71 A HA 0.745 5.065 4.320 -0.000 0.000 0.310 71 A C -1.074 176.096 177.584 -0.690 0.000 1.075 71 A CA -0.575 51.232 52.037 -0.384 0.000 0.746 71 A CB 1.131 20.045 19.000 -0.142 0.000 1.277 71 A HN 0.048 nan 8.150 nan 0.000 0.425 72 F N 1.010 120.977 119.950 0.030 0.000 2.495 72 F HA 0.730 5.257 4.527 -0.000 0.000 0.327 72 F C 0.315 176.132 175.800 0.028 0.000 1.103 72 F CA -0.367 57.651 58.000 0.030 0.000 0.949 72 F CB 2.020 41.028 39.000 0.012 0.000 1.142 72 F HN 0.403 nan 8.300 nan 0.000 0.457 73 M N 1.693 121.389 119.600 0.159 0.000 2.619 73 M HA 0.503 4.983 4.480 -0.000 0.000 0.297 73 M C -0.316 176.062 176.300 0.130 0.000 1.229 73 M CA -0.892 54.480 55.300 0.119 0.000 0.860 73 M CB 2.810 35.461 32.600 0.086 0.000 1.741 73 M HN 0.691 nan 8.290 nan 0.000 0.462 74 T N -2.440 112.180 114.554 0.110 0.000 2.881 74 T HA 0.234 4.584 4.350 -0.000 0.000 0.278 74 T C 0.613 175.390 174.700 0.128 0.000 0.982 74 T CA -0.633 61.535 62.100 0.112 0.000 0.989 74 T CB 1.676 70.582 68.868 0.063 0.000 1.058 74 T HN 0.820 nan 8.240 nan 0.000 0.529 75 Q N -0.351 119.514 119.800 0.107 0.000 2.224 75 Q HA -0.125 4.214 4.340 -0.000 0.000 0.203 75 Q C 2.085 178.083 176.000 -0.003 0.000 0.970 75 Q CA 1.245 57.053 55.803 0.007 0.000 0.865 75 Q CB -0.021 28.514 28.738 -0.340 0.000 0.922 75 Q HN 0.883 nan 8.270 nan 0.000 0.445 76 E N 0.238 120.442 120.200 0.006 0.000 2.047 76 E HA -0.266 4.084 4.350 -0.000 0.000 0.191 76 E C 1.974 178.622 176.600 0.081 0.000 0.987 76 E CA 1.227 57.643 56.400 0.028 0.000 0.799 76 E CB -0.009 29.697 29.700 0.010 0.000 0.752 76 E HN 0.424 nan 8.360 nan 0.000 0.449 77 Q N 0.309 120.149 119.800 0.068 0.000 2.096 77 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 77 Q C 2.103 178.192 176.000 0.149 0.000 0.982 77 Q CA 1.668 57.524 55.803 0.089 0.000 0.850 77 Q CB 0.025 28.794 28.738 0.052 0.000 0.901 77 Q HN 0.347 nan 8.270 nan 0.000 0.422 78 Q N -0.337 119.533 119.800 0.117 0.000 2.084 78 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 78 Q C 2.107 178.169 176.000 0.103 0.000 0.978 78 Q CA 1.330 57.199 55.803 0.110 0.000 0.844 78 Q CB -0.156 28.652 28.738 0.117 0.000 0.898 78 Q HN 0.515 nan 8.270 nan 0.000 0.426 79 A N 0.068 122.947 122.820 0.098 0.000 1.969 79 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 79 A C 1.846 179.501 177.584 0.118 0.000 1.169 79 A CA 1.148 53.238 52.037 0.089 0.000 0.635 79 A CB -0.724 18.320 19.000 0.074 0.000 0.810 79 A HN 0.487 nan 8.150 nan 0.000 0.445 80 Y N 0.676 120.996 120.300 0.034 0.000 2.114 80 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 80 Y C 2.516 178.421 175.900 0.009 0.000 1.143 80 Y CA 2.185 60.302 58.100 0.028 0.000 1.135 80 Y CB -0.340 38.135 38.460 0.024 0.000 0.980 80 Y HN 0.270 nan 8.280 nan 0.000 0.499 81 R N -0.689 119.880 120.500 0.116 0.000 2.091 81 R HA -0.171 4.169 4.340 -0.000 0.000 0.238 81 R C 2.138 178.402 176.300 -0.060 0.000 1.136 81 R CA 1.810 57.922 56.100 0.020 0.000 0.959 81 R CB -0.776 29.572 30.300 0.079 0.000 0.856 81 R HN 0.279 nan 8.270 nan 0.000 0.437 82 V N 1.123 121.017 119.914 -0.034 0.000 2.307 82 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 82 V C 2.295 178.322 176.094 -0.113 0.000 1.045 82 V CA 1.369 63.639 62.300 -0.050 0.000 1.024 82 V CB -0.470 31.343 31.823 -0.016 0.000 0.651 82 V HN 0.270 nan 8.190 nan 0.000 0.449 83 I N 0.562 121.035 120.570 -0.162 0.000 2.163 83 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 83 I C 2.521 178.472 176.117 -0.277 0.000 1.085 83 I CA 2.159 63.300 61.300 -0.265 0.000 1.347 83 I CB -1.153 36.638 38.000 -0.348 0.000 1.044 83 I HN 0.366 nan 8.210 nan 0.000 0.408 84 T N 0.453 114.804 114.554 -0.338 0.000 2.652 84 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 84 T C 1.955 176.554 174.700 -0.168 0.000 1.039 84 T CA 1.945 63.869 62.100 -0.295 0.000 1.153 84 T CB -0.237 68.426 68.868 -0.342 0.000 0.863 84 T HN 0.269 nan 8.240 nan 0.000 0.428 85 K N 0.149 120.470 120.400 -0.131 0.000 2.147 85 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 85 K C 2.143 178.697 176.600 -0.076 0.000 1.049 85 K CA 0.763 57.001 56.287 -0.082 0.000 0.936 85 K CB -0.230 32.234 32.500 -0.059 0.000 0.722 85 K HN 0.091 nan 8.250 nan 0.000 0.446 86 L N 1.442 122.607 121.223 -0.096 0.000 2.017 86 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 86 L C 2.003 178.826 176.870 -0.077 0.000 1.073 86 L CA 1.715 56.505 54.840 -0.083 0.000 0.745 86 L CB -0.415 41.578 42.059 -0.110 0.000 0.894 86 L HN 0.114 nan 8.230 nan 0.000 0.432 87 R N -0.668 119.771 120.500 -0.102 0.000 2.280 87 R HA -0.060 4.280 4.340 -0.000 0.000 0.207 87 R C 1.537 177.802 176.300 -0.059 0.000 1.043 87 R CA 0.705 56.754 56.100 -0.084 0.000 1.006 87 R CB -0.057 30.179 30.300 -0.107 0.000 0.885 87 R HN 0.513 nan 8.270 nan 0.000 0.467 88 E N 0.227 120.393 120.200 -0.056 0.000 2.479 88 E HA 0.000 4.350 4.350 -0.000 0.000 0.193 88 E C 0.038 176.623 176.600 -0.025 0.000 1.049 88 E CA -0.010 56.366 56.400 -0.039 0.000 0.870 88 E CB 0.330 30.006 29.700 -0.039 0.000 0.944 88 E HN 0.188 nan 8.360 nan 0.000 0.492 89 Q N 0.796 120.582 119.800 -0.023 0.000 2.392 89 Q HA 0.029 4.369 4.340 -0.000 0.000 0.262 89 Q C -1.592 174.406 176.000 -0.002 0.000 1.003 89 Q CA -1.056 54.743 55.803 -0.007 0.000 0.888 89 Q CB 0.384 29.122 28.738 0.000 0.000 1.260 89 Q HN 0.006 nan 8.270 nan 0.000 0.435 90 P HA -0.148 nan 4.420 nan 0.000 0.217 90 P C -0.462 176.841 177.300 0.005 0.000 1.150 90 P CA 1.359 64.462 63.100 0.005 0.000 0.832 90 P CB 0.422 32.128 31.700 0.010 0.000 0.787 91 N N -3.712 114.998 118.700 0.016 0.000 3.243 91 N HA 0.162 4.902 4.740 -0.000 0.000 0.280 91 N C -0.216 175.313 175.510 0.032 0.000 1.545 91 N CA -0.693 52.366 53.050 0.014 0.000 0.854 91 N CB -0.185 38.306 38.487 0.006 0.000 1.612 91 N HN -0.418 nan 8.380 nan 0.000 0.577 92 D N -0.499 119.918 120.400 0.028 0.000 2.144 92 D HA -0.009 4.631 4.640 -0.000 0.000 0.200 92 D C 1.551 177.914 176.300 0.106 0.000 0.978 92 D CA 0.881 54.910 54.000 0.049 0.000 0.833 92 D CB -0.127 40.687 40.800 0.023 0.000 0.961 92 D HN 0.331 nan 8.370 nan 0.000 0.470 93 L N 0.922 122.211 121.223 0.109 0.000 2.046 93 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 93 L C 2.364 179.423 176.870 0.315 0.000 1.077 93 L CA 1.225 56.205 54.840 0.234 0.000 0.747 93 L CB -1.044 41.113 42.059 0.163 0.000 0.896 93 L HN -0.049 nan 8.230 nan 0.000 0.432 94 A N -1.012 121.929 122.820 0.201 0.000 1.930 94 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 94 A C 2.484 180.123 177.584 0.092 0.000 1.175 94 A CA 1.372 53.495 52.037 0.143 0.000 0.627 94 A CB -0.417 18.635 19.000 0.088 0.000 0.815 94 A HN 0.337 nan 8.150 nan 0.000 0.443 95 R N -2.208 118.347 120.500 0.093 0.000 2.092 95 R HA -0.125 4.215 4.340 -0.000 0.000 0.231 95 R C 2.132 178.481 176.300 0.081 0.000 1.119 95 R CA 1.594 57.730 56.100 0.060 0.000 0.970 95 R CB -0.477 29.852 30.300 0.049 0.000 0.864 95 R HN 0.718 nan 8.270 nan 0.000 0.440 96 Y N 1.466 121.785 120.300 0.031 0.000 2.097 96 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 96 Y C 2.008 177.899 175.900 -0.014 0.000 1.152 96 Y CA 1.442 59.561 58.100 0.033 0.000 1.136 96 Y CB -0.184 38.311 38.460 0.058 0.000 0.975 96 Y HN -0.090 nan 8.280 nan 0.000 0.498 97 I N 0.964 121.508 120.570 -0.043 0.000 2.264 97 I HA -0.339 3.831 4.170 -0.000 0.000 0.248 97 I C 2.484 178.475 176.117 -0.209 0.000 1.111 97 I CA 1.813 62.977 61.300 -0.227 0.000 1.382 97 I CB -1.390 36.490 38.000 -0.200 0.000 1.060 97 I HN 0.497 nan 8.210 nan 0.000 0.418 98 Q N 0.155 119.887 119.800 -0.112 0.000 2.046 98 Q HA -0.205 4.135 4.340 -0.000 0.000 0.200 98 Q C 2.268 178.219 176.000 -0.081 0.000 0.975 98 Q CA 1.274 57.028 55.803 -0.082 0.000 0.836 98 Q CB 0.072 28.786 28.738 -0.041 0.000 0.896 98 Q HN 0.259 nan 8.270 nan 0.000 0.428 99 L N 1.242 122.422 121.223 -0.071 0.000 2.141 99 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 99 L C 1.818 178.670 176.870 -0.029 0.000 1.094 99 L CA 1.904 56.770 54.840 0.043 0.000 0.763 99 L CB -0.851 41.258 42.059 0.083 0.000 0.908 99 L HN 0.300 nan 8.230 nan 0.000 0.437 100 D N -1.231 118.997 120.400 -0.288 0.000 2.144 100 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 100 D C 2.206 178.327 176.300 -0.298 0.000 0.978 100 D CA 1.248 55.014 54.000 -0.389 0.000 0.833 100 D CB -0.098 40.370 40.800 -0.552 0.000 0.961 100 D HN 0.287 nan 8.370 nan 0.000 0.470 101 G N 0.161 108.829 108.800 -0.221 0.000 2.408 101 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 101 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 101 G C 1.502 176.319 174.900 -0.139 0.000 1.150 101 G CA 0.783 45.786 45.100 -0.160 0.000 0.776 101 G HN 0.339 nan 8.290 nan 0.000 0.542 102 L N 0.412 121.574 121.223 -0.102 0.000 2.093 102 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 102 L C 2.706 179.479 176.870 -0.161 0.000 1.085 102 L CA 2.378 57.196 54.840 -0.036 0.000 0.755 102 L CB -0.643 41.488 42.059 0.120 0.000 0.904 102 L HN 0.384 nan 8.230 nan 0.000 0.435 103 Q N -0.906 118.593 119.800 -0.502 0.000 2.124 103 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 103 Q C 1.122 176.866 176.000 -0.426 0.000 0.977 103 Q CA 1.863 57.102 55.803 -0.940 0.000 0.850 103 Q CB -0.012 27.844 28.738 -1.471 0.000 0.901 103 Q HN 0.562 nan 8.270 nan 0.000 0.429 104 D N -0.812 119.413 120.400 -0.291 0.000 2.355 104 D HA -0.036 4.604 4.640 -0.000 0.000 0.218 104 D C 1.467 177.696 176.300 -0.119 0.000 1.004 104 D CA 0.433 54.325 54.000 -0.180 0.000 0.880 104 D CB 0.158 40.867 40.800 -0.151 0.000 0.911 104 D HN 0.289 nan 8.370 nan 0.000 0.528 105 R N 0.014 120.454 120.500 -0.100 0.000 2.140 105 R HA 0.063 4.403 4.340 -0.000 0.000 0.200 105 R C 0.026 176.320 176.300 -0.010 0.000 1.069 105 R CA 0.228 56.300 56.100 -0.047 0.000 1.088 105 R CB 0.576 30.856 30.300 -0.034 0.000 1.012 105 R HN -0.135 nan 8.270 nan 0.000 0.500 106 N N 1.166 119.870 118.700 0.008 0.000 2.640 106 N HA 0.000 4.740 4.740 -0.000 0.000 0.262 106 N C -0.483 175.092 175.510 0.108 0.000 1.174 106 N CA -0.069 53.023 53.050 0.070 0.000 0.791 106 N CB 1.678 40.224 38.487 0.098 0.000 1.279 106 N HN 0.280 nan 8.380 nan 0.000 0.535 107 E N 2.287 122.554 120.200 0.111 0.000 2.118 107 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 107 E C 0.895 177.727 176.600 0.386 0.000 0.992 107 E CA 1.213 57.728 56.400 0.191 0.000 0.804 107 E CB 0.356 30.176 29.700 0.200 0.000 0.741 107 E HN 0.374 nan 8.360 nan 0.000 0.458 108 K N 0.328 120.934 120.400 0.345 0.000 2.026 108 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 108 K C 2.256 178.958 176.600 0.169 0.000 1.048 108 K CA 0.728 57.192 56.287 0.295 0.000 0.929 108 K CB -0.501 32.138 32.500 0.232 0.000 0.713 108 K HN 0.210 nan 8.250 nan 0.000 0.439 109 L N 0.805 122.124 121.223 0.159 0.000 2.046 109 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 109 L C 2.211 179.143 176.870 0.103 0.000 1.077 109 L CA 1.355 56.247 54.840 0.088 0.000 0.747 109 L CB -0.696 41.440 42.059 0.129 0.000 0.896 109 L HN 0.052 nan 8.230 nan 0.000 0.432 110 F N -0.261 119.662 119.950 -0.045 0.000 2.025 110 F HA -0.340 4.187 4.527 -0.000 0.000 0.297 110 F C 2.211 177.908 175.800 -0.171 0.000 1.132 110 F CA 2.153 60.049 58.000 -0.175 0.000 1.191 110 F CB -0.899 37.887 39.000 -0.358 0.000 0.963 110 F HN 0.143 nan 8.300 nan 0.000 0.481 111 Y N -0.266 120.138 120.300 0.172 0.000 2.333 111 Y HA -0.223 4.327 4.550 -0.000 0.000 0.290 111 Y C 2.532 178.417 175.900 -0.026 0.000 1.144 111 Y CA 1.147 59.275 58.100 0.047 0.000 1.228 111 Y CB -0.519 38.136 38.460 0.325 0.000 0.985 111 Y HN 0.071 nan 8.280 nan 0.000 0.542 112 R N 0.653 121.207 120.500 0.090 0.000 2.070 112 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 112 R C 2.006 178.280 176.300 -0.043 0.000 1.138 112 R CA 1.966 58.060 56.100 -0.010 0.000 0.936 112 R CB -1.203 29.057 30.300 -0.066 0.000 0.839 112 R HN 0.156 nan 8.270 nan 0.000 0.429 113 V N 0.137 120.020 119.914 -0.052 0.000 2.255 113 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 113 V C 2.398 178.465 176.094 -0.044 0.000 1.051 113 V CA 1.941 64.234 62.300 -0.012 0.000 1.018 113 V CB -0.460 31.341 31.823 -0.037 0.000 0.641 113 V HN 0.241 nan 8.190 nan 0.000 0.445 114 V N -1.236 118.541 119.914 -0.229 0.000 2.490 114 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 114 V C 2.417 178.460 176.094 -0.086 0.000 1.061 114 V CA 2.135 64.298 62.300 -0.229 0.000 1.064 114 V CB -0.707 30.822 31.823 -0.490 0.000 0.670 114 V HN 0.655 nan 8.190 nan 0.000 0.461 115 C N -0.312 118.955 119.300 -0.055 0.000 2.475 115 C HA -0.051 4.409 4.460 -0.000 0.000 0.279 115 C C 2.428 177.364 174.990 -0.091 0.000 1.322 115 C CA 0.484 59.483 59.018 -0.032 0.000 1.734 115 C CB -0.827 26.916 27.740 0.006 0.000 2.005 115 C HN 0.570 nan 8.230 nan 0.000 0.495 116 D N -0.427 119.875 120.400 -0.163 0.000 2.183 116 D HA -0.039 4.601 4.640 -0.000 0.000 0.203 116 D C 1.025 177.016 176.300 -0.516 0.000 0.969 116 D CA 1.129 54.918 54.000 -0.352 0.000 0.842 116 D CB -0.230 40.286 40.800 -0.472 0.000 0.957 116 D HN 0.597 nan 8.370 nan 0.000 0.484 117 H N -0.148 118.898 119.070 -0.040 0.000 2.534 117 H HA 0.180 4.736 4.556 -0.000 0.000 0.250 117 H C 1.419 176.726 175.328 -0.035 0.000 1.256 117 H CA -0.217 55.810 56.048 -0.034 0.000 1.000 117 H CB 0.510 30.247 29.762 -0.042 0.000 1.801 117 H HN -0.113 nan 8.280 nan 0.000 0.569 118 V N 1.235 121.160 119.914 0.019 0.000 2.332 118 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 118 V C 2.459 178.565 176.094 0.020 0.000 1.055 118 V CA 2.240 64.545 62.300 0.009 0.000 1.038 118 V CB -0.145 31.668 31.823 -0.016 0.000 0.651 118 V HN 0.382 nan 8.190 nan 0.000 0.450 119 K N -0.427 119.990 120.400 0.028 0.000 2.025 119 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 119 K C 2.267 178.889 176.600 0.037 0.000 1.049 119 K CA 2.018 58.323 56.287 0.030 0.000 0.933 119 K CB -0.311 32.213 32.500 0.040 0.000 0.714 119 K HN 0.670 nan 8.250 nan 0.000 0.438 120 E N 0.205 120.436 120.200 0.052 0.000 2.204 120 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 120 E C 1.576 178.192 176.600 0.026 0.000 0.989 120 E CA 0.812 57.235 56.400 0.038 0.000 0.824 120 E CB 0.211 29.935 29.700 0.040 0.000 0.756 120 E HN 0.359 nan 8.360 nan 0.000 0.477 121 L N -0.175 121.068 121.223 0.034 0.000 2.701 121 L HA 0.177 4.517 4.340 -0.000 0.000 0.238 121 L C 2.274 179.171 176.870 0.045 0.000 1.106 121 L CA -0.211 54.644 54.840 0.024 0.000 0.898 121 L CB -0.042 42.014 42.059 -0.005 0.000 1.188 121 L HN 0.157 nan 8.230 nan 0.000 0.508 122 M N 1.841 121.470 119.600 0.048 0.000 2.149 122 M HA -0.098 4.382 4.480 -0.000 0.000 0.261 122 M C -0.739 175.627 176.300 0.110 0.000 1.064 122 M CA 2.090 57.437 55.300 0.079 0.000 1.102 122 M CB -0.527 32.104 32.600 0.052 0.000 1.369 122 M HN -0.021 nan 8.290 nan 0.000 0.408 123 P HA -0.062 nan 4.420 nan 0.000 0.236 123 P C 1.273 178.614 177.300 0.069 0.000 1.177 123 P CA 0.946 64.081 63.100 0.059 0.000 0.773 123 P CB -0.130 31.583 31.700 0.022 0.000 0.878 124 I N -0.568 120.060 120.570 0.096 0.000 2.364 124 I HA -0.083 4.086 4.170 -0.000 0.000 0.241 124 I C 2.534 178.798 176.117 0.245 0.000 1.082 124 I CA 0.816 62.198 61.300 0.137 0.000 1.401 124 I CB -1.330 36.737 38.000 0.112 0.000 1.126 124 I HN -0.173 nan 8.210 nan 0.000 0.429 125 V N 0.098 120.150 119.914 0.230 0.000 2.392 125 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 125 V C 1.684 178.027 176.094 0.414 0.000 1.059 125 V CA 2.005 64.489 62.300 0.307 0.000 1.051 125 V CB -0.562 31.392 31.823 0.218 0.000 0.658 125 V HN 0.428 nan 8.190 nan 0.000 0.455 126 Y N -1.218 119.177 120.300 0.159 0.000 2.303 126 Y HA 0.164 4.714 4.550 -0.000 0.000 0.083 126 Y C 2.028 177.972 175.900 0.073 0.000 0.992 126 Y CA 0.654 58.829 58.100 0.125 0.000 1.765 126 Y CB -0.004 38.540 38.460 0.139 0.000 1.088 126 Y HN 0.113 nan 8.280 nan 0.000 0.199 127 T N 1.934 116.513 114.554 0.041 0.000 3.807 127 T HA -0.280 4.069 4.350 -0.000 0.000 0.146 127 T C -1.307 173.281 174.700 -0.187 0.000 1.752 127 T CA 2.951 65.019 62.100 -0.054 0.000 0.978 127 T CB -2.446 66.454 68.868 0.053 0.000 1.051 127 T HN 0.572 nan 8.240 nan 0.000 0.456 128 P HA 0.252 nan 4.420 nan 0.000 0.258 128 P C 1.305 178.516 177.300 -0.148 0.000 1.174 128 P CA 0.901 63.920 63.100 -0.136 0.000 0.899 128 P CB 0.162 31.807 31.700 -0.092 0.000 1.163 129 T N 0.702 115.187 114.554 -0.115 0.000 2.821 129 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 129 T C 1.888 176.414 174.700 -0.289 0.000 1.046 129 T CA 1.127 63.146 62.100 -0.136 0.000 1.139 129 T CB -0.976 67.872 68.868 -0.034 0.000 0.871 129 T HN -0.147 nan 8.240 nan 0.000 0.454 130 V N 1.649 121.390 119.914 -0.289 0.000 2.287 130 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 130 V C 2.620 178.507 176.094 -0.345 0.000 1.053 130 V CA 2.424 64.479 62.300 -0.409 0.000 1.027 130 V CB -1.093 30.652 31.823 -0.131 0.000 0.646 130 V HN 0.592 nan 8.190 nan 0.000 0.447 131 G N -0.754 107.890 108.800 -0.259 0.000 2.422 131 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 131 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 131 G C 1.509 176.309 174.900 -0.166 0.000 1.140 131 G CA 0.976 45.967 45.100 -0.183 0.000 0.775 131 G HN 0.496 nan 8.290 nan 0.000 0.545 132 L N 1.267 122.375 121.223 -0.190 0.000 2.093 132 L HA 0.189 4.529 4.340 -0.000 0.000 0.208 132 L C 3.019 179.773 176.870 -0.194 0.000 1.085 132 L CA 1.923 56.659 54.840 -0.173 0.000 0.755 132 L CB -0.596 41.365 42.059 -0.163 0.000 0.904 132 L HN 0.223 nan 8.230 nan 0.000 0.435 133 A N -1.324 121.354 122.820 -0.236 0.000 1.877 133 A HA -0.229 4.090 4.320 -0.000 0.000 0.216 133 A C 2.405 179.975 177.584 -0.023 0.000 1.186 133 A CA 1.765 53.744 52.037 -0.097 0.000 0.620 133 A CB -1.453 17.251 19.000 -0.493 0.000 0.822 133 A HN 0.602 nan 8.150 nan 0.000 0.443 134 C N -0.881 118.359 119.300 -0.100 0.000 2.398 134 C HA -0.169 4.291 4.460 -0.000 0.000 0.276 134 C C 2.870 177.804 174.990 -0.093 0.000 1.222 134 C CA 1.360 60.349 59.018 -0.048 0.000 1.746 134 C CB -1.377 26.371 27.740 0.013 0.000 2.039 134 C HN 0.769 nan 8.230 nan 0.000 0.470 135 Q N 0.769 120.526 119.800 -0.071 0.000 2.084 135 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 135 Q C 1.854 177.774 176.000 -0.133 0.000 0.978 135 Q CA 1.714 57.482 55.803 -0.058 0.000 0.844 135 Q CB -0.219 28.485 28.738 -0.058 0.000 0.898 135 Q HN 0.764 nan 8.270 nan 0.000 0.426 136 N N -1.242 117.328 118.700 -0.217 0.000 2.336 136 N HA -0.015 4.725 4.740 -0.000 0.000 0.177 136 N C 1.412 176.691 175.510 -0.385 0.000 1.018 136 N CA 0.554 53.407 53.050 -0.329 0.000 0.878 136 N CB 0.083 38.292 38.487 -0.464 0.000 0.997 136 N HN 0.160 nan 8.380 nan 0.000 0.433 137 F N 0.881 120.700 119.950 -0.219 0.000 2.416 137 F HA 0.164 4.691 4.527 -0.000 0.000 0.296 137 F C 1.990 177.580 175.800 -0.349 0.000 1.099 137 F CA 0.460 58.313 58.000 -0.246 0.000 1.427 137 F CB -0.042 38.827 39.000 -0.218 0.000 1.079 137 F HN 0.053 nan 8.300 nan 0.000 0.536 138 G N 0.140 108.715 108.800 -0.376 0.000 2.523 138 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.271 138 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.271 138 G C -0.584 173.955 174.900 -0.602 0.000 1.146 138 G CA 0.031 44.579 45.100 -0.920 0.000 0.961 138 G HN 0.227 nan 8.290 nan 0.000 0.549 139 Y N 2.271 122.387 120.300 -0.306 0.000 2.436 139 Y HA 0.639 5.189 4.550 -0.000 0.000 0.336 139 Y C 0.719 176.477 175.900 -0.238 0.000 1.049 139 Y CA -0.756 57.278 58.100 -0.109 0.000 1.294 139 Y CB 0.146 38.608 38.460 0.004 0.000 1.179 139 Y HN 0.474 nan 8.280 nan 0.000 0.520 140 I N 7.893 128.024 120.570 -0.732 0.000 2.336 140 I HA 0.178 4.348 4.170 -0.000 0.000 0.292 140 I C -0.713 174.885 176.117 -0.865 0.000 0.991 140 I CA -0.815 60.056 61.300 -0.716 0.000 1.227 140 I CB 0.753 38.519 38.000 -0.389 0.000 1.366 140 I HN 0.562 nan 8.210 nan 0.000 0.466 141 Y N 6.771 126.757 120.300 -0.522 0.000 2.511 141 Y HA 0.344 4.894 4.550 -0.000 0.000 0.332 141 Y C 0.719 176.464 175.900 -0.259 0.000 1.177 141 Y CA -0.247 57.639 58.100 -0.356 0.000 1.422 141 Y CB 0.479 38.836 38.460 -0.173 0.000 1.271 141 Y HN 0.589 nan 8.280 nan 0.000 0.550 142 R N 0.532 121.027 120.500 -0.009 0.000 2.829 142 R HA 0.385 4.725 4.340 -0.000 0.000 0.283 142 R C -1.872 174.435 176.300 0.010 0.000 1.013 142 R CA -1.348 54.732 56.100 -0.033 0.000 0.848 142 R CB 0.940 31.192 30.300 -0.079 0.000 1.291 142 R HN 0.412 nan 8.270 nan 0.000 0.496 143 K N 0.505 120.895 120.400 -0.015 0.000 2.180 143 K HA 0.232 4.552 4.320 -0.000 0.000 0.251 143 K C -2.177 174.456 176.600 0.054 0.000 1.014 143 K CA -1.572 54.712 56.287 -0.005 0.000 0.913 143 K CB 0.402 32.866 32.500 -0.060 0.000 1.008 143 K HN 0.355 nan 8.250 nan 0.000 0.490 144 P HA 0.004 nan 4.420 nan 0.000 0.264 144 P C -0.764 176.703 177.300 0.279 0.000 1.537 144 P CA 0.258 63.476 63.100 0.198 0.000 1.189 144 P CB -0.247 31.570 31.700 0.194 0.000 1.687 145 K N 1.278 121.839 120.400 0.269 0.000 2.437 145 K HA 0.509 4.829 4.320 -0.000 0.000 0.205 145 K C 0.640 177.481 176.600 0.402 0.000 1.026 145 K CA -0.602 55.893 56.287 0.347 0.000 1.153 145 K CB 0.509 33.099 32.500 0.150 0.000 0.863 145 K HN 0.317 nan 8.250 nan 0.000 0.502 146 G N 0.720 109.746 108.800 0.376 0.000 2.576 146 G HA2 0.458 4.418 3.960 -0.000 0.000 0.290 146 G HA3 0.458 4.418 3.960 -0.000 0.000 0.290 146 G C -1.885 173.037 174.900 0.038 0.000 1.442 146 G CA -1.002 44.119 45.100 0.035 0.000 0.792 146 G HN 0.055 nan 8.290 nan 0.000 0.491 147 L N -0.017 121.100 121.223 -0.177 0.000 2.334 147 L HA 0.537 4.877 4.340 -0.000 0.000 0.276 147 L C -1.162 175.624 176.870 -0.141 0.000 1.014 147 L CA -1.000 53.812 54.840 -0.046 0.000 0.815 147 L CB 2.038 44.046 42.059 -0.085 0.000 1.268 147 L HN 0.509 nan 8.230 nan 0.000 0.428 148 Y N 3.409 123.707 120.300 -0.003 0.000 2.342 148 Y HA 0.518 5.068 4.550 -0.000 0.000 0.338 148 Y C -0.024 175.861 175.900 -0.025 0.000 0.965 148 Y CA -0.424 57.660 58.100 -0.026 0.000 1.159 148 Y CB 1.211 39.663 38.460 -0.013 0.000 1.157 148 Y HN 0.305 nan 8.280 nan 0.000 0.486 149 I N 3.960 124.565 120.570 0.059 0.000 2.410 149 I HA 0.344 4.514 4.170 -0.000 0.000 0.286 149 I C 0.031 176.152 176.117 0.006 0.000 1.009 149 I CA -0.607 60.715 61.300 0.036 0.000 1.111 149 I CB 1.781 39.794 38.000 0.022 0.000 1.262 149 I HN 0.611 nan 8.210 nan 0.000 0.443 150 T N 2.090 116.661 114.554 0.029 0.000 2.937 150 T HA 0.364 4.714 4.350 -0.000 0.000 0.283 150 T C 0.829 175.546 174.700 0.029 0.000 1.012 150 T CA -0.614 61.500 62.100 0.023 0.000 0.997 150 T CB 1.729 70.615 68.868 0.030 0.000 1.136 150 T HN 0.423 nan 8.240 nan 0.000 0.551 151 I N 0.977 121.577 120.570 0.049 0.000 2.850 151 I HA -0.017 4.153 4.170 -0.000 0.000 0.266 151 I C 1.224 177.378 176.117 0.062 0.000 1.257 151 I CA 1.040 62.377 61.300 0.062 0.000 1.465 151 I CB -0.538 37.528 38.000 0.110 0.000 1.091 151 I HN 0.543 nan 8.210 nan 0.000 0.467 152 N N 0.469 119.205 118.700 0.061 0.000 2.270 152 N HA 0.050 4.790 4.740 -0.000 0.000 0.198 152 N C -0.127 175.409 175.510 0.042 0.000 1.117 152 N CA 0.373 53.455 53.050 0.052 0.000 0.845 152 N CB 0.103 38.622 38.487 0.053 0.000 0.980 152 N HN 0.385 nan 8.380 nan 0.000 0.486 153 D N 0.014 120.440 120.400 0.043 0.000 2.788 153 D HA 0.039 4.679 4.640 -0.000 0.000 0.289 153 D C -0.284 176.045 176.300 0.049 0.000 1.340 153 D CA -0.191 53.837 54.000 0.046 0.000 0.831 153 D CB -0.132 40.698 40.800 0.051 0.000 1.103 153 D HN -0.086 nan 8.370 nan 0.000 0.476 154 N N 2.057 120.784 118.700 0.044 0.000 2.605 154 N HA 0.072 4.812 4.740 -0.000 0.000 0.258 154 N C -0.862 174.675 175.510 0.044 0.000 1.156 154 N CA 0.276 53.352 53.050 0.044 0.000 1.008 154 N CB -0.102 38.409 38.487 0.040 0.000 1.354 154 N HN 0.114 nan 8.380 nan 0.000 0.509 155 S N -0.189 115.540 115.700 0.049 0.000 2.680 155 S HA 0.096 4.566 4.470 -0.000 0.000 0.284 155 S C 0.621 175.248 174.600 0.045 0.000 1.055 155 S CA -0.765 57.460 58.200 0.042 0.000 0.849 155 S CB 0.144 63.363 63.200 0.032 0.000 1.068 155 S HN -0.102 nan 8.310 nan 0.000 0.453 156 V N 2.288 122.221 119.914 0.031 0.000 2.287 156 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 156 V C 2.747 178.869 176.094 0.047 0.000 1.053 156 V CA 2.688 65.003 62.300 0.026 0.000 1.027 156 V CB -1.291 30.528 31.823 -0.007 0.000 0.646 156 V HN 0.914 nan 8.190 nan 0.000 0.447 157 S N -0.589 115.124 115.700 0.021 0.000 2.356 157 S HA -0.221 4.249 4.470 -0.000 0.000 0.223 157 S C 2.001 176.657 174.600 0.093 0.000 1.032 157 S CA 1.640 59.862 58.200 0.037 0.000 1.005 157 S CB -0.278 62.921 63.200 -0.000 0.000 0.867 157 S HN 0.586 nan 8.310 nan 0.000 0.449 158 K N 0.702 121.144 120.400 0.069 0.000 2.097 158 K HA 0.035 4.355 4.320 -0.000 0.000 0.206 158 K C 1.900 178.549 176.600 0.082 0.000 1.049 158 K CA 1.137 57.466 56.287 0.071 0.000 0.933 158 K CB -0.251 32.282 32.500 0.055 0.000 0.717 158 K HN 0.353 nan 8.250 nan 0.000 0.442 159 I N -0.451 120.172 120.570 0.088 0.000 2.353 159 I HA -0.234 3.935 4.170 -0.000 0.000 0.248 159 I C 2.161 178.315 176.117 0.061 0.000 1.119 159 I CA 0.847 62.197 61.300 0.082 0.000 1.417 159 I CB -0.210 37.847 38.000 0.095 0.000 1.078 159 I HN 0.115 nan 8.210 nan 0.000 0.421 160 Y N 2.001 122.273 120.300 -0.048 0.000 2.128 160 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 160 Y C 2.744 178.616 175.900 -0.047 0.000 1.154 160 Y CA 1.706 59.757 58.100 -0.083 0.000 1.149 160 Y CB -0.084 38.327 38.460 -0.081 0.000 0.976 160 Y HN 0.130 nan 8.280 nan 0.000 0.505 161 Q N 0.189 120.078 119.800 0.149 0.000 2.124 161 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 161 Q C 2.442 178.459 176.000 0.027 0.000 0.977 161 Q CA 1.830 57.684 55.803 0.084 0.000 0.850 161 Q CB -0.445 28.352 28.738 0.098 0.000 0.901 161 Q HN 0.626 nan 8.270 nan 0.000 0.429 162 I N 0.235 120.824 120.570 0.033 0.000 2.202 162 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 162 I C 2.150 178.286 176.117 0.030 0.000 1.091 162 I CA 0.804 62.132 61.300 0.048 0.000 1.368 162 I CB -0.269 37.768 38.000 0.063 0.000 1.058 162 I HN 0.133 nan 8.210 nan 0.000 0.410 163 L N -0.129 121.064 121.223 -0.049 0.000 2.131 163 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 163 L C 2.533 179.379 176.870 -0.040 0.000 1.092 163 L CA 1.033 55.831 54.840 -0.070 0.000 0.759 163 L CB -0.617 41.289 42.059 -0.255 0.000 0.903 163 L HN 0.163 nan 8.230 nan 0.000 0.435 164 S N -0.028 115.584 115.700 -0.147 0.000 2.474 164 S HA -0.086 4.384 4.470 -0.000 0.000 0.235 164 S C 1.519 176.139 174.600 0.034 0.000 0.997 164 S CA 0.810 58.950 58.200 -0.099 0.000 0.949 164 S CB -0.276 62.856 63.200 -0.114 0.000 0.766 164 S HN 0.468 nan 8.310 nan 0.000 0.517 165 N N 0.150 118.898 118.700 0.079 0.000 2.467 165 N HA 0.010 4.750 4.740 -0.000 0.000 0.184 165 N C 0.001 175.611 175.510 0.167 0.000 1.106 165 N CA 0.077 53.196 53.050 0.114 0.000 0.892 165 N CB 0.004 38.562 38.487 0.119 0.000 0.969 165 N HN 0.553 nan 8.380 nan 0.000 0.454 166 W N 3.431 124.698 121.300 -0.054 0.000 2.266 166 W HA 0.009 4.669 4.660 -0.000 0.000 0.317 166 W C 1.129 177.540 176.519 -0.181 0.000 1.310 166 W CA -0.227 57.003 57.345 -0.190 0.000 1.207 166 W CB 0.482 29.839 29.460 -0.171 0.000 1.199 166 W HN 0.288 nan 8.180 nan 0.000 0.544 167 H N 1.863 120.642 119.070 -0.485 0.000 2.543 167 H HA -0.079 4.477 4.556 -0.000 0.000 0.286 167 H C -0.199 174.970 175.328 -0.264 0.000 1.037 167 H CA 0.670 56.495 56.048 -0.371 0.000 1.250 167 H CB 0.040 29.537 29.762 -0.442 0.000 1.373 167 H HN 0.266 nan 8.280 nan 0.000 0.580 168 E N 0.991 120.982 120.200 -0.349 0.000 2.183 168 E HA 0.171 4.521 4.350 -0.000 0.000 0.271 168 E C 0.230 176.948 176.600 0.197 0.000 0.919 168 E CA -0.499 55.907 56.400 0.010 0.000 0.781 168 E CB 2.030 31.779 29.700 0.081 0.000 1.140 168 E HN 0.024 nan 8.360 nan 0.000 0.402 169 E N 1.959 122.265 120.200 0.178 0.000 2.364 169 E HA 0.042 4.392 4.350 -0.000 0.000 0.196 169 E C -0.325 176.416 176.600 0.235 0.000 0.990 169 E CA 0.314 56.858 56.400 0.241 0.000 0.886 169 E CB 0.374 30.172 29.700 0.163 0.000 0.866 169 E HN 0.438 nan 8.360 nan 0.000 0.493 170 D N 0.358 120.856 120.400 0.163 0.000 3.110 170 D HA 0.066 4.706 4.640 -0.000 0.000 0.254 170 D C -1.013 175.317 176.300 0.049 0.000 1.283 170 D CA -0.183 53.897 54.000 0.133 0.000 0.944 170 D CB -0.025 40.902 40.800 0.212 0.000 1.066 170 D HN -0.175 nan 8.370 nan 0.000 0.496 171 V N 2.191 121.950 119.914 -0.258 0.000 2.488 171 V HA 0.269 4.389 4.120 -0.000 0.000 0.277 171 V C 1.464 177.330 176.094 -0.379 0.000 1.046 171 V CA 0.046 62.059 62.300 -0.478 0.000 0.986 171 V CB 1.361 32.393 31.823 -1.318 0.000 0.989 171 V HN 0.312 nan 8.190 nan 0.000 0.475 172 R N 2.743 123.111 120.500 -0.219 0.000 2.521 172 R HA 0.519 4.859 4.340 -0.000 0.000 0.289 172 R C 0.115 176.358 176.300 -0.095 0.000 0.936 172 R CA 0.229 56.189 56.100 -0.233 0.000 1.089 172 R CB 1.285 31.275 30.300 -0.517 0.000 1.348 172 R HN 0.666 nan 8.270 nan 0.000 0.536 173 A N 1.575 124.370 122.820 -0.041 0.000 2.442 173 A HA 0.570 4.890 4.320 -0.000 0.000 0.284 173 A C -0.898 176.634 177.584 -0.087 0.000 1.058 173 A CA -0.530 51.526 52.037 0.030 0.000 0.738 173 A CB 0.957 20.078 19.000 0.202 0.000 1.242 173 A HN 0.083 nan 8.150 nan 0.000 0.421 174 I N 2.329 122.842 120.570 -0.095 0.000 2.474 174 I HA 0.503 4.673 4.170 -0.000 0.000 0.294 174 I C -0.767 175.256 176.117 -0.156 0.000 1.005 174 I CA -1.088 60.119 61.300 -0.156 0.000 1.113 174 I CB 2.228 40.155 38.000 -0.121 0.000 1.289 174 I HN 0.305 nan 8.210 nan 0.000 0.436 175 V N 6.910 126.686 119.914 -0.230 0.000 2.378 175 V HA 0.415 4.535 4.120 -0.000 0.000 0.288 175 V C -0.291 175.678 176.094 -0.209 0.000 1.016 175 V CA -0.622 61.535 62.300 -0.238 0.000 0.840 175 V CB 2.109 33.727 31.823 -0.341 0.000 0.994 175 V HN 0.488 nan 8.190 nan 0.000 0.431 176 V N 4.735 124.524 119.914 -0.209 0.000 2.919 176 V HA 0.916 5.036 4.120 -0.000 0.000 0.316 176 V C -0.303 175.704 176.094 -0.145 0.000 1.077 176 V CA 0.095 62.234 62.300 -0.269 0.000 0.977 176 V CB 2.576 34.122 31.823 -0.461 0.000 1.039 176 V HN 0.979 nan 8.190 nan 0.000 0.441 177 T N 1.965 116.385 114.554 -0.224 0.000 2.942 177 T HA 0.377 4.727 4.350 -0.000 0.000 0.327 177 T C -0.732 173.615 174.700 -0.588 0.000 1.360 177 T CA 0.121 62.007 62.100 -0.356 0.000 1.055 177 T CB 1.609 70.337 68.868 -0.234 0.000 1.261 177 T HN 0.937 nan 8.240 nan 0.000 0.485 178 D N 1.114 120.915 120.400 -0.998 0.000 2.363 178 D HA 0.241 4.881 4.640 -0.000 0.000 0.214 178 D C 1.463 177.548 176.300 -0.358 0.000 1.093 178 D CA 0.588 54.248 54.000 -0.567 0.000 0.837 178 D CB -0.362 40.168 40.800 -0.450 0.000 0.948 178 D HN 1.139 nan 8.370 nan 0.000 0.507 179 G N 1.391 109.977 108.800 -0.358 0.000 2.233 179 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.270 179 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.270 179 G C 0.735 175.552 174.900 -0.138 0.000 1.011 179 G CA 0.829 45.818 45.100 -0.186 0.000 0.762 179 G HN 0.538 nan 8.290 nan 0.000 0.511 180 E N -0.494 119.598 120.200 -0.179 0.000 2.216 180 E HA 0.042 4.392 4.350 -0.000 0.000 0.192 180 E C 1.733 178.294 176.600 -0.065 0.000 0.988 180 E CA 0.419 56.757 56.400 -0.105 0.000 0.834 180 E CB 0.059 29.700 29.700 -0.097 0.000 0.772 180 E HN 0.377 nan 8.360 nan 0.000 0.479 181 R N 1.247 121.710 120.500 -0.061 0.000 2.738 181 R HA 0.260 4.600 4.340 -0.000 0.000 0.280 181 R C -0.944 175.346 176.300 -0.018 0.000 1.456 181 R CA -0.343 55.744 56.100 -0.020 0.000 1.612 181 R CB 0.091 30.403 30.300 0.020 0.000 1.286 181 R HN 0.144 nan 8.270 nan 0.000 0.660 182 I N 2.852 123.402 120.570 -0.033 0.000 2.662 182 I HA -0.109 4.061 4.170 -0.000 0.000 0.285 182 I C 0.760 176.854 176.117 -0.037 0.000 1.161 182 I CA -0.181 61.097 61.300 -0.036 0.000 1.415 182 I CB 0.372 38.348 38.000 -0.039 0.000 1.385 182 I HN 0.270 nan 8.210 nan 0.000 0.552 183 L N 8.595 129.796 121.223 -0.037 0.000 2.878 183 L HA -0.037 4.303 4.340 -0.000 0.000 0.285 183 L C 1.122 177.959 176.870 -0.054 0.000 1.090 183 L CA 1.194 56.012 54.840 -0.038 0.000 1.030 183 L CB -0.919 41.112 42.059 -0.047 0.000 1.431 183 L HN 0.906 nan 8.230 nan 0.000 0.456 184 G N 3.719 112.498 108.800 -0.036 0.000 2.160 184 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 184 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 184 G C 0.522 175.395 174.900 -0.045 0.000 1.022 184 G CA 0.331 45.407 45.100 -0.040 0.000 0.741 184 G HN 0.688 nan 8.290 nan 0.000 0.508 185 L N -1.908 119.291 121.223 -0.040 0.000 3.481 185 L HA 0.486 4.826 4.340 -0.000 0.000 0.338 185 L C 1.543 178.394 176.870 -0.031 0.000 1.039 185 L CA 0.454 55.271 54.840 -0.039 0.000 1.313 185 L CB 0.135 42.166 42.059 -0.046 0.000 2.046 185 L HN 1.501 nan 8.230 nan 0.000 0.609 186 G N 0.975 109.758 108.800 -0.028 0.000 2.615 186 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 186 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 186 G C -0.650 174.231 174.900 -0.031 0.000 1.339 186 G CA -0.131 44.953 45.100 -0.028 0.000 0.884 186 G HN 0.145 nan 8.290 nan 0.000 0.559 187 D N 0.715 121.092 120.400 -0.039 0.000 2.402 187 D HA 0.194 4.834 4.640 -0.000 0.000 0.268 187 D C 1.480 177.754 176.300 -0.044 0.000 1.294 187 D CA 0.360 54.331 54.000 -0.049 0.000 0.945 187 D CB 0.008 40.773 40.800 -0.059 0.000 1.112 187 D HN 0.427 nan 8.370 nan 0.000 0.517 188 L N 3.127 124.339 121.223 -0.019 0.000 2.766 188 L HA 0.245 4.585 4.340 -0.000 0.000 0.242 188 L C 1.729 178.627 176.870 0.045 0.000 1.136 188 L CA -0.003 54.858 54.840 0.035 0.000 0.933 188 L CB -0.094 42.022 42.059 0.095 0.000 1.241 188 L HN 0.630 nan 8.230 nan 0.000 0.522 189 G N 1.371 110.173 108.800 0.003 0.000 2.614 189 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.303 189 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.303 189 G C 1.012 175.980 174.900 0.113 0.000 1.270 189 G CA 0.531 45.664 45.100 0.055 0.000 0.988 189 G HN 0.341 nan 8.290 nan 0.000 0.551 190 A N -1.180 121.737 122.820 0.162 0.000 2.186 190 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 190 A C 1.987 179.743 177.584 0.286 0.000 1.159 190 A CA 2.209 54.333 52.037 0.144 0.000 0.680 190 A CB -0.482 18.486 19.000 -0.052 0.000 0.787 190 A HN 0.728 nan 8.150 nan 0.000 0.467 191 Y N -0.929 119.513 120.300 0.237 0.000 2.561 191 Y HA -0.017 4.533 4.550 -0.000 0.000 0.291 191 Y C 2.392 178.354 175.900 0.103 0.000 1.141 191 Y CA -0.106 58.107 58.100 0.189 0.000 1.303 191 Y CB 0.067 38.638 38.460 0.185 0.000 1.015 191 Y HN 0.467 nan 8.280 nan 0.000 0.547 192 G N -0.053 108.868 108.800 0.201 0.000 2.848 192 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.208 192 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.208 192 G C 1.366 176.278 174.900 0.020 0.000 1.152 192 G CA 0.048 45.194 45.100 0.075 0.000 0.789 192 G HN 0.379 nan 8.290 nan 0.000 0.531 193 I N 1.677 122.260 120.570 0.021 0.000 2.399 193 I HA -0.096 4.074 4.170 -0.000 0.000 0.254 193 I C 2.538 178.646 176.117 -0.015 0.000 1.146 193 I CA 1.369 62.619 61.300 -0.084 0.000 1.412 193 I CB -0.183 37.737 38.000 -0.134 0.000 1.076 193 I HN 0.080 nan 8.210 nan 0.000 0.432 194 G N 0.410 109.244 108.800 0.057 0.000 2.471 194 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.219 194 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.219 194 G C 1.511 176.489 174.900 0.129 0.000 1.125 194 G CA 0.657 45.823 45.100 0.111 0.000 0.775 194 G HN 0.364 nan 8.290 nan 0.000 0.548 195 I N 1.834 122.457 120.570 0.088 0.000 2.142 195 I HA -0.056 4.114 4.170 -0.000 0.000 0.240 195 I C -0.026 176.180 176.117 0.150 0.000 1.078 195 I CA 0.927 62.325 61.300 0.163 0.000 1.343 195 I CB -1.949 36.096 38.000 0.075 0.000 1.046 195 I HN 0.073 nan 8.210 nan 0.000 0.405 196 P HA -0.073 nan 4.420 nan 0.000 0.217 196 P C 2.281 179.526 177.300 -0.093 0.000 1.150 196 P CA 1.012 64.055 63.100 -0.096 0.000 0.832 196 P CB 0.068 31.674 31.700 -0.155 0.000 0.787 197 V N 0.094 119.992 119.914 -0.026 0.000 2.287 197 V HA -0.211 3.909 4.120 -0.000 0.000 0.248 197 V C 2.591 178.714 176.094 0.048 0.000 1.053 197 V CA 2.624 64.926 62.300 0.004 0.000 1.027 197 V CB -1.888 29.958 31.823 0.038 0.000 0.646 197 V HN 0.181 nan 8.190 nan 0.000 0.447 198 G N -0.498 108.394 108.800 0.153 0.000 2.421 198 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.216 198 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.216 198 G C 1.594 176.443 174.900 -0.087 0.000 1.171 198 G CA 1.228 46.471 45.100 0.239 0.000 0.775 198 G HN 0.450 nan 8.290 nan 0.000 0.543 199 K N -0.188 119.993 120.400 -0.365 0.000 2.009 199 K HA -0.028 4.292 4.320 -0.000 0.000 0.210 199 K C 2.408 178.825 176.600 -0.304 0.000 1.049 199 K CA 0.818 56.731 56.287 -0.623 0.000 0.929 199 K CB -0.596 31.578 32.500 -0.544 0.000 0.714 199 K HN 0.156 nan 8.250 nan 0.000 0.440 200 L N 0.638 121.659 121.223 -0.337 0.000 2.079 200 L HA -0.121 4.218 4.340 -0.000 0.000 0.210 200 L C 2.322 179.204 176.870 0.019 0.000 1.081 200 L CA 2.116 56.759 54.840 -0.329 0.000 0.752 200 L CB -1.634 40.267 42.059 -0.264 0.000 0.896 200 L HN 0.342 nan 8.230 nan 0.000 0.433 201 A N -0.791 122.099 122.820 0.116 0.000 1.940 201 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 201 A C 2.346 180.157 177.584 0.379 0.000 1.176 201 A CA 1.514 53.764 52.037 0.356 0.000 0.631 201 A CB -0.553 18.669 19.000 0.369 0.000 0.814 201 A HN 0.434 nan 8.150 nan 0.000 0.446 202 L N -2.409 118.974 121.223 0.267 0.000 2.156 202 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 202 L C 2.488 179.588 176.870 0.384 0.000 1.095 202 L CA 0.884 55.910 54.840 0.310 0.000 0.770 202 L CB -0.652 41.606 42.059 0.331 0.000 0.914 202 L HN 0.368 nan 8.230 nan 0.000 0.439 203 Y N 0.178 120.596 120.300 0.197 0.000 2.114 203 Y HA -0.275 4.275 4.550 -0.000 0.000 0.282 203 Y C 2.538 178.467 175.900 0.049 0.000 1.165 203 Y CA 1.472 59.674 58.100 0.171 0.000 1.148 203 Y CB -0.896 37.639 38.460 0.126 0.000 0.972 203 Y HN -0.109 nan 8.280 nan 0.000 0.504 204 V N -0.798 119.197 119.914 0.135 0.000 2.283 204 V HA -0.242 3.878 4.120 -0.000 0.000 0.243 204 V C 2.506 178.523 176.094 -0.129 0.000 1.039 204 V CA 1.576 63.759 62.300 -0.196 0.000 1.016 204 V CB -1.428 29.950 31.823 -0.741 0.000 0.650 204 V HN 0.399 nan 8.190 nan 0.000 0.449 205 A N -0.186 122.677 122.820 0.071 0.000 1.902 205 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 205 A C 2.130 179.766 177.584 0.086 0.000 1.181 205 A CA 1.910 54.053 52.037 0.177 0.000 0.623 205 A CB -0.409 18.756 19.000 0.276 0.000 0.818 205 A HN 0.528 nan 8.150 nan 0.000 0.443 206 L N -2.265 118.999 121.223 0.067 0.000 2.470 206 L HA 0.197 4.537 4.340 -0.000 0.000 0.219 206 L C 2.482 179.339 176.870 -0.022 0.000 1.071 206 L CA 0.671 55.511 54.840 -0.000 0.000 0.850 206 L CB -0.322 41.704 42.059 -0.056 0.000 1.040 206 L HN 0.427 nan 8.230 nan 0.000 0.475 207 G N -0.782 108.020 108.800 0.003 0.000 2.656 207 G HA2 0.271 4.231 3.960 -0.000 0.000 0.211 207 G HA3 0.271 4.231 3.960 -0.000 0.000 0.211 207 G C 1.261 176.168 174.900 0.010 0.000 1.137 207 G CA 0.660 45.752 45.100 -0.012 0.000 0.802 207 G HN 0.431 nan 8.290 nan 0.000 0.527 208 G N -0.783 108.025 108.800 0.014 0.000 2.141 208 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.242 208 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.242 208 G C 0.249 175.151 174.900 0.004 0.000 0.982 208 G CA 0.064 45.175 45.100 0.019 0.000 0.662 208 G HN 0.704 nan 8.290 nan 0.000 0.527 209 V N 1.764 121.686 119.914 0.013 0.000 2.655 209 V HA 0.220 4.340 4.120 -0.000 0.000 0.300 209 V C 0.988 176.962 176.094 -0.200 0.000 1.044 209 V CA -0.194 62.141 62.300 0.059 0.000 1.095 209 V CB 1.496 33.449 31.823 0.217 0.000 0.952 209 V HN 0.400 nan 8.190 nan 0.000 0.485 210 Q N 7.045 126.556 119.800 -0.482 0.000 2.271 210 Q HA 0.093 4.433 4.340 -0.000 0.000 0.273 210 Q C -1.271 174.368 176.000 -0.602 0.000 1.051 210 Q CA -1.515 53.768 55.803 -0.866 0.000 0.901 210 Q CB 0.910 28.480 28.738 -1.946 0.000 1.174 210 Q HN 0.502 nan 8.270 nan 0.000 0.385 211 P HA -0.234 nan 4.420 nan 0.000 0.216 211 P C 0.834 178.034 177.300 -0.166 0.000 1.150 211 P CA 1.566 64.436 63.100 -0.384 0.000 0.837 211 P CB 0.188 31.606 31.700 -0.470 0.000 0.786 212 K N -1.469 118.801 120.400 -0.216 0.000 2.280 212 K HA -0.122 4.198 4.320 -0.000 0.000 0.202 212 K C 1.542 178.216 176.600 0.122 0.000 1.047 212 K CA 1.034 57.295 56.287 -0.044 0.000 0.942 212 K CB -0.777 31.682 32.500 -0.068 0.000 0.739 212 K HN 0.112 nan 8.250 nan 0.000 0.457 213 W N 1.489 122.778 121.300 -0.018 0.000 3.047 213 W HA 0.157 4.817 4.660 -0.000 0.000 0.250 213 W C 0.075 176.551 176.519 -0.072 0.000 1.314 213 W CA -1.359 55.960 57.345 -0.044 0.000 1.540 213 W CB -0.893 28.546 29.460 -0.034 0.000 1.127 213 W HN -0.019 nan 8.180 nan 0.000 0.679 214 C N 2.065 121.453 119.300 0.147 0.000 2.350 214 C HA 0.600 5.060 4.460 -0.000 0.000 0.348 214 C C 0.116 175.085 174.990 -0.036 0.000 1.260 214 C CA -0.698 58.333 59.018 0.022 0.000 1.966 214 C CB 0.312 28.046 27.740 -0.010 0.000 2.380 214 C HN -0.014 nan 8.230 nan 0.000 0.535 215 L N 6.136 127.218 121.223 -0.234 0.000 2.446 215 L HA 0.573 4.913 4.340 -0.000 0.000 0.268 215 L C -2.906 173.701 176.870 -0.438 0.000 0.975 215 L CA -1.727 52.808 54.840 -0.508 0.000 0.848 215 L CB 1.534 43.133 42.059 -0.766 0.000 1.225 215 L HN 0.388 nan 8.230 nan 0.000 0.410 216 P HA 0.427 nan 4.420 nan 0.000 0.286 216 P C -1.278 175.819 177.300 -0.338 0.000 1.269 216 P CA -0.230 62.691 63.100 -0.297 0.000 0.787 216 P CB 1.581 33.166 31.700 -0.191 0.000 0.920 217 V N 4.744 124.485 119.914 -0.287 0.000 2.735 217 V HA 0.509 4.629 4.120 -0.000 0.000 0.310 217 V C -0.410 175.494 176.094 -0.317 0.000 1.061 217 V CA -0.737 61.393 62.300 -0.283 0.000 0.913 217 V CB 2.238 33.954 31.823 -0.178 0.000 1.005 217 V HN 0.386 nan 8.190 nan 0.000 0.428 218 L N 4.741 125.753 121.223 -0.351 0.000 2.406 218 L HA 0.643 4.983 4.340 -0.000 0.000 0.272 218 L C -1.344 175.361 176.870 -0.274 0.000 0.980 218 L CA -0.414 54.226 54.840 -0.334 0.000 0.831 218 L CB 1.521 43.353 42.059 -0.378 0.000 1.253 218 L HN 0.560 nan 8.230 nan 0.000 0.406 219 L N 4.398 125.443 121.223 -0.296 0.000 2.276 219 L HA 0.399 4.739 4.340 -0.000 0.000 0.286 219 L C -0.668 176.124 176.870 -0.130 0.000 1.061 219 L CA -0.281 54.411 54.840 -0.246 0.000 0.807 219 L CB 1.164 43.023 42.059 -0.334 0.000 1.177 219 L HN 0.553 nan 8.230 nan 0.000 0.429 220 D N 2.975 123.344 120.400 -0.052 0.000 2.441 220 D HA 0.257 4.897 4.640 -0.000 0.000 0.231 220 D C 0.245 176.563 176.300 0.030 0.000 1.073 220 D CA -0.355 53.644 54.000 -0.002 0.000 0.850 220 D CB 1.765 42.579 40.800 0.023 0.000 1.062 220 D HN 0.251 nan 8.370 nan 0.000 0.524 221 V N 1.700 121.658 119.914 0.073 0.000 3.176 221 V HA 0.715 4.835 4.120 -0.000 0.000 0.332 221 V C 0.811 177.035 176.094 0.217 0.000 1.414 221 V CA 0.474 62.873 62.300 0.165 0.000 1.133 221 V CB -0.278 31.691 31.823 0.244 0.000 1.088 221 V HN 0.677 nan 8.190 nan 0.000 0.473 222 G N -0.094 108.751 108.800 0.075 0.000 2.483 222 G HA2 0.238 4.198 3.960 -0.000 0.000 0.521 222 G HA3 0.238 4.198 3.960 -0.000 0.000 0.521 222 G C -0.420 174.496 174.900 0.027 0.000 1.278 222 G CA 0.005 45.101 45.100 -0.007 0.000 0.965 222 G HN 1.269 nan 8.290 nan 0.000 0.504 223 T N -0.992 113.563 114.554 0.003 0.000 2.923 223 T HA 0.616 4.966 4.350 -0.000 0.000 0.311 223 T C 0.133 174.798 174.700 -0.057 0.000 1.183 223 T CA -0.040 62.030 62.100 -0.051 0.000 1.020 223 T CB 1.502 70.278 68.868 -0.152 0.000 1.165 223 T HN 0.555 nan 8.240 nan 0.000 0.482 224 N N 2.416 121.078 118.700 -0.063 0.000 2.236 224 N HA 0.084 4.824 4.740 -0.000 0.000 0.196 224 N C 0.119 175.582 175.510 -0.078 0.000 1.114 224 N CA -0.117 52.901 53.050 -0.055 0.000 0.859 224 N CB 0.159 38.623 38.487 -0.039 0.000 0.982 224 N HN 0.539 nan 8.380 nan 0.000 0.493 225 N N 2.082 120.712 118.700 -0.117 0.000 2.399 225 N HA 0.014 4.754 4.740 -0.000 0.000 0.259 225 N C 1.065 176.489 175.510 -0.144 0.000 1.160 225 N CA -0.072 52.903 53.050 -0.124 0.000 0.946 225 N CB 0.549 38.946 38.487 -0.150 0.000 1.156 225 N HN -0.089 nan 8.380 nan 0.000 0.489 226 M N 1.907 121.449 119.600 -0.097 0.000 2.279 226 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 226 M C 0.915 177.160 176.300 -0.091 0.000 1.062 226 M CA 1.059 56.308 55.300 -0.085 0.000 1.099 226 M CB -0.522 32.046 32.600 -0.054 0.000 1.394 226 M HN 0.514 nan 8.290 nan 0.000 0.426 227 D N 0.360 120.707 120.400 -0.088 0.000 2.078 227 D HA -0.118 4.522 4.640 -0.000 0.000 0.193 227 D C 2.214 178.451 176.300 -0.106 0.000 0.990 227 D CA 1.131 55.091 54.000 -0.067 0.000 0.827 227 D CB -0.325 40.451 40.800 -0.040 0.000 0.975 227 D HN 0.336 nan 8.370 nan 0.000 0.451 228 L N 0.710 121.806 121.223 -0.211 0.000 2.021 228 L HA -0.201 4.139 4.340 -0.000 0.000 0.215 228 L C 2.623 179.274 176.870 -0.366 0.000 1.074 228 L CA 0.942 55.529 54.840 -0.421 0.000 0.760 228 L CB -0.622 40.869 42.059 -0.947 0.000 0.889 228 L HN 0.047 nan 8.230 nan 0.000 0.433 229 L N -0.250 120.802 121.223 -0.286 0.000 2.456 229 L HA -0.129 4.210 4.340 -0.000 0.000 0.224 229 L C 1.826 178.656 176.870 -0.066 0.000 1.148 229 L CA 0.556 55.310 54.840 -0.144 0.000 0.825 229 L CB -0.456 41.540 42.059 -0.104 0.000 0.937 229 L HN 0.392 nan 8.230 nan 0.000 0.450 230 N N -1.207 117.454 118.700 -0.065 0.000 2.322 230 N HA -0.024 4.716 4.740 -0.000 0.000 0.181 230 N C 0.242 175.739 175.510 -0.022 0.000 1.088 230 N CA 0.176 53.205 53.050 -0.036 0.000 0.885 230 N CB 0.270 38.738 38.487 -0.031 0.000 1.013 230 N HN 0.149 nan 8.380 nan 0.000 0.472 231 D N 2.567 122.967 120.400 -0.001 0.000 2.358 231 D HA 0.050 4.690 4.640 -0.000 0.000 0.258 231 D C -1.415 174.894 176.300 0.016 0.000 1.223 231 D CA -1.666 52.371 54.000 0.061 0.000 0.886 231 D CB 1.310 42.206 40.800 0.159 0.000 1.120 231 D HN 0.121 nan 8.370 nan 0.000 0.482 232 P HA -0.040 nan 4.420 nan 0.000 0.242 232 P C 0.684 177.745 177.300 -0.398 0.000 1.197 232 P CA 0.563 63.465 63.100 -0.330 0.000 0.765 232 P CB -0.001 31.388 31.700 -0.519 0.000 0.936 233 F N -2.397 117.626 119.950 0.122 0.000 2.717 233 F HA 0.186 4.713 4.527 -0.000 0.000 0.297 233 F C 1.377 177.301 175.800 0.208 0.000 1.113 233 F CA -0.820 57.266 58.000 0.143 0.000 1.319 233 F CB -0.394 38.699 39.000 0.156 0.000 1.097 233 F HN -0.220 nan 8.300 nan 0.000 0.595 234 Y N 2.629 123.056 120.300 0.212 0.000 2.810 234 Y HA 0.012 4.562 4.550 -0.000 0.000 0.332 234 Y C 1.024 176.911 175.900 -0.022 0.000 1.243 234 Y CA -0.585 57.538 58.100 0.038 0.000 1.537 234 Y CB 0.564 38.946 38.460 -0.130 0.000 1.265 234 Y HN 0.138 nan 8.280 nan 0.000 0.572 235 I N 3.270 123.481 120.570 -0.599 0.000 3.914 235 I HA 0.458 4.628 4.170 -0.000 0.000 0.333 235 I C 0.713 176.367 176.117 -0.772 0.000 1.449 235 I CA -0.231 60.748 61.300 -0.535 0.000 1.135 235 I CB -0.088 37.720 38.000 -0.320 0.000 1.073 235 I HN 0.523 nan 8.210 nan 0.000 0.401 236 G N 0.537 108.415 108.800 -1.537 0.000 2.511 236 G HA2 0.559 4.519 3.960 -0.000 0.000 0.316 236 G HA3 0.559 4.519 3.960 -0.000 0.000 0.316 236 G C -0.776 173.835 174.900 -0.483 0.000 1.210 236 G CA -0.794 43.739 45.100 -0.946 0.000 0.969 236 G HN 0.058 nan 8.290 nan 0.000 0.492 237 L N 0.121 121.194 121.223 -0.250 0.000 2.540 237 L HA 0.140 4.480 4.340 -0.000 0.000 0.276 237 L C 1.281 178.011 176.870 -0.233 0.000 1.212 237 L CA 0.369 55.053 54.840 -0.260 0.000 0.893 237 L CB 0.487 42.341 42.059 -0.341 0.000 1.138 237 L HN 0.557 nan 8.230 nan 0.000 0.491 238 R N 4.016 124.411 120.500 -0.176 0.000 2.870 238 R HA 0.343 4.683 4.340 -0.000 0.000 0.254 238 R C -1.297 174.991 176.300 -0.020 0.000 1.392 238 R CA -0.218 55.852 56.100 -0.049 0.000 1.322 238 R CB -0.441 29.873 30.300 0.023 0.000 1.205 238 R HN 0.887 nan 8.270 nan 0.000 0.597 239 H N -0.655 118.441 119.070 0.043 0.000 2.984 239 H HA 0.220 4.776 4.556 -0.000 0.000 0.298 239 H C -1.445 173.888 175.328 0.008 0.000 1.378 239 H CA -1.234 54.824 56.048 0.016 0.000 1.241 239 H CB 0.188 29.960 29.762 0.017 0.000 1.894 239 H HN 0.096 nan 8.280 nan 0.000 0.511 240 K N 1.223 121.758 120.400 0.225 0.000 2.286 240 K HA 0.193 4.513 4.320 -0.000 0.000 0.256 240 K C 0.023 176.752 176.600 0.215 0.000 0.999 240 K CA -0.496 55.871 56.287 0.134 0.000 0.908 240 K CB 0.540 33.072 32.500 0.054 0.000 0.981 240 K HN 0.499 nan 8.250 nan 0.000 0.500 241 R N 0.740 121.309 120.500 0.114 0.000 2.585 241 R HA 0.020 4.360 4.340 -0.000 0.000 0.275 241 R C -0.206 176.148 176.300 0.091 0.000 1.018 241 R CA -0.263 55.906 56.100 0.114 0.000 1.072 241 R CB 0.221 30.544 30.300 0.037 0.000 0.953 241 R HN 0.252 nan 8.270 nan 0.000 0.419 242 V N 4.327 124.323 119.914 0.136 0.000 2.583 242 V HA 0.147 4.266 4.120 -0.000 0.000 0.287 242 V C 1.188 177.349 176.094 0.112 0.000 1.051 242 V CA 0.169 62.529 62.300 0.101 0.000 1.010 242 V CB 1.359 33.257 31.823 0.124 0.000 0.988 242 V HN 0.821 nan 8.190 nan 0.000 0.478 243 R N 2.265 122.797 120.500 0.054 0.000 2.539 243 R HA 0.238 4.578 4.340 -0.000 0.000 0.342 243 R C 1.207 177.540 176.300 0.055 0.000 0.941 243 R CA 0.280 56.374 56.100 -0.009 0.000 1.146 243 R CB 0.927 31.173 30.300 -0.089 0.000 1.541 243 R HN 0.824 nan 8.270 nan 0.000 0.525 244 G N 1.529 110.376 108.800 0.079 0.000 2.421 244 G HA2 -0.136 3.823 3.960 -0.000 0.000 0.238 244 G HA3 -0.136 3.823 3.960 -0.000 0.000 0.238 244 G C 0.650 175.620 174.900 0.115 0.000 1.544 244 G CA -0.068 45.077 45.100 0.075 0.000 1.044 244 G HN 0.047 nan 8.290 nan 0.000 0.537 245 K N -0.263 120.192 120.400 0.093 0.000 2.155 245 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 245 K C 2.100 178.771 176.600 0.119 0.000 1.052 245 K CA 1.078 57.424 56.287 0.099 0.000 0.948 245 K CB -0.092 32.449 32.500 0.068 0.000 0.728 245 K HN 0.259 nan 8.250 nan 0.000 0.448 246 D N 0.557 121.022 120.400 0.109 0.000 2.133 246 D HA -0.223 4.416 4.640 -0.000 0.000 0.195 246 D C 1.661 178.040 176.300 0.133 0.000 0.997 246 D CA 1.239 55.301 54.000 0.103 0.000 0.840 246 D CB -0.369 40.483 40.800 0.086 0.000 0.947 246 D HN 0.231 nan 8.370 nan 0.000 0.452 247 Y N 1.607 121.947 120.300 0.067 0.000 2.145 247 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 247 Y C 1.713 177.680 175.900 0.113 0.000 1.145 247 Y CA 1.618 59.769 58.100 0.086 0.000 1.148 247 Y CB 0.001 38.512 38.460 0.084 0.000 0.981 247 Y HN -0.155 nan 8.280 nan 0.000 0.507 248 D N -0.870 119.696 120.400 0.276 0.000 2.144 248 D HA -0.154 4.486 4.640 -0.000 0.000 0.199 248 D C 2.094 178.471 176.300 0.128 0.000 0.984 248 D CA 1.875 55.999 54.000 0.206 0.000 0.834 248 D CB -0.459 40.451 40.800 0.184 0.000 0.955 248 D HN 0.361 nan 8.370 nan 0.000 0.465 249 T N 1.323 115.938 114.554 0.101 0.000 2.737 249 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 249 T C 1.938 176.679 174.700 0.068 0.000 1.038 249 T CA 0.440 62.592 62.100 0.088 0.000 1.144 249 T CB -0.329 68.582 68.868 0.072 0.000 0.866 249 T HN 0.030 nan 8.240 nan 0.000 0.434 250 L N 1.242 122.474 121.223 0.014 0.000 1.990 250 L HA -0.071 4.268 4.340 -0.000 0.000 0.213 250 L C 2.104 178.983 176.870 0.016 0.000 1.072 250 L CA 1.696 56.526 54.840 -0.017 0.000 0.755 250 L CB -0.812 41.179 42.059 -0.113 0.000 0.889 250 L HN 0.176 nan 8.230 nan 0.000 0.432 251 L N -0.626 120.581 121.223 -0.028 0.000 2.083 251 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 251 L C 2.324 179.333 176.870 0.232 0.000 1.083 251 L CA 1.623 56.534 54.840 0.119 0.000 0.752 251 L CB -1.565 40.609 42.059 0.192 0.000 0.899 251 L HN 0.376 nan 8.230 nan 0.000 0.433 252 D N -0.155 120.387 120.400 0.236 0.000 2.084 252 D HA -0.154 4.486 4.640 -0.000 0.000 0.196 252 D C 1.907 178.282 176.300 0.126 0.000 0.985 252 D CA 0.904 55.047 54.000 0.238 0.000 0.826 252 D CB -0.087 40.850 40.800 0.228 0.000 0.978 252 D HN 0.241 nan 8.370 nan 0.000 0.456 253 N N 0.177 118.942 118.700 0.108 0.000 2.166 253 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 253 N C 1.693 177.231 175.510 0.046 0.000 1.019 253 N CA 0.343 53.436 53.050 0.072 0.000 0.856 253 N CB -0.516 38.014 38.487 0.072 0.000 0.993 253 N HN 0.192 nan 8.380 nan 0.000 0.426 254 F N 1.706 121.614 119.950 -0.070 0.000 2.075 254 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 254 F C 2.163 177.847 175.800 -0.193 0.000 1.113 254 F CA 1.281 59.210 58.000 -0.118 0.000 1.218 254 F CB -0.150 38.769 39.000 -0.135 0.000 0.984 254 F HN -0.108 nan 8.300 nan 0.000 0.472 255 M N 0.422 119.814 119.600 -0.347 0.000 2.159 255 M HA -0.175 4.305 4.480 -0.000 0.000 0.263 255 M C 2.018 177.995 176.300 -0.539 0.000 1.063 255 M CA 1.556 56.420 55.300 -0.726 0.000 1.110 255 M CB -1.267 30.670 32.600 -1.106 0.000 1.374 255 M HN 0.181 nan 8.290 nan 0.000 0.411 256 K N 0.269 120.540 120.400 -0.214 0.000 1.984 256 K HA -0.038 4.282 4.320 -0.000 0.000 0.209 256 K C 2.201 178.740 176.600 -0.102 0.000 1.046 256 K CA 1.477 57.734 56.287 -0.049 0.000 0.934 256 K CB -0.349 32.168 32.500 0.028 0.000 0.717 256 K HN 0.271 nan 8.250 nan 0.000 0.438 257 A N 1.278 124.022 122.820 -0.126 0.000 1.892 257 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 257 A C 2.481 179.948 177.584 -0.195 0.000 1.188 257 A CA 1.861 53.847 52.037 -0.084 0.000 0.631 257 A CB -1.234 17.728 19.000 -0.064 0.000 0.822 257 A HN 0.469 nan 8.150 nan 0.000 0.447 258 C N -0.581 118.476 119.300 -0.405 0.000 2.413 258 C HA -0.117 4.343 4.460 -0.000 0.000 0.276 258 C C 3.252 178.117 174.990 -0.208 0.000 1.236 258 C CA 1.785 60.567 59.018 -0.394 0.000 1.735 258 C CB -1.522 25.845 27.740 -0.621 0.000 2.031 258 C HN 0.813 nan 8.230 nan 0.000 0.474 259 T N -0.810 113.642 114.554 -0.171 0.000 2.942 259 T HA -0.150 4.200 4.350 -0.000 0.000 0.265 259 T C 1.738 176.430 174.700 -0.013 0.000 1.062 259 T CA 1.356 63.432 62.100 -0.040 0.000 1.139 259 T CB -0.308 68.595 68.868 0.058 0.000 0.883 259 T HN 0.627 nan 8.240 nan 0.000 0.468 260 K N 1.195 121.585 120.400 -0.016 0.000 2.097 260 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 260 K C 2.366 179.012 176.600 0.075 0.000 1.050 260 K CA 1.312 57.617 56.287 0.029 0.000 0.938 260 K CB -0.065 32.452 32.500 0.028 0.000 0.718 260 K HN 0.292 nan 8.250 nan 0.000 0.442 261 K N -0.254 120.126 120.400 -0.033 0.000 2.021 261 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 261 K C 1.311 177.670 176.600 -0.402 0.000 1.047 261 K CA 1.533 57.634 56.287 -0.309 0.000 0.943 261 K CB -0.123 31.819 32.500 -0.929 0.000 0.725 261 K HN 0.235 nan 8.250 nan 0.000 0.439 262 Y N -0.394 119.877 120.300 -0.048 0.000 2.449 262 Y HA 0.350 4.900 4.550 -0.000 0.000 0.254 262 Y C 0.540 176.418 175.900 -0.036 0.000 1.140 262 Y CA -0.169 57.901 58.100 -0.049 0.000 1.272 262 Y CB 1.167 39.577 38.460 -0.082 0.000 1.114 262 Y HN 0.258 nan 8.280 nan 0.000 0.525 263 G N 0.914 109.760 108.800 0.077 0.000 2.650 263 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.686 263 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.686 263 G C -0.159 174.770 174.900 0.049 0.000 1.205 263 G CA -0.320 44.812 45.100 0.053 0.000 0.781 263 G HN 0.095 nan 8.290 nan 0.000 0.648 264 Q N 0.663 120.490 119.800 0.046 0.000 2.297 264 Q HA -0.127 4.213 4.340 -0.000 0.000 0.208 264 Q C 2.346 178.372 176.000 0.043 0.000 0.981 264 Q CA 2.443 58.285 55.803 0.065 0.000 0.876 264 Q CB 0.008 28.771 28.738 0.043 0.000 0.921 264 Q HN 0.720 nan 8.270 nan 0.000 0.446 265 K N -0.372 120.034 120.400 0.010 0.000 2.525 265 K HA 0.021 4.341 4.320 -0.000 0.000 0.192 265 K C -0.413 176.180 176.600 -0.012 0.000 1.029 265 K CA 0.396 56.674 56.287 -0.015 0.000 1.029 265 K CB -0.477 32.000 32.500 -0.037 0.000 0.814 265 K HN 0.024 nan 8.250 nan 0.000 0.503 266 T N 3.431 117.988 114.554 0.004 0.000 2.831 266 T HA 0.022 4.372 4.350 -0.000 0.000 0.291 266 T C -0.038 174.670 174.700 0.013 0.000 0.981 266 T CA -0.283 61.812 62.100 -0.009 0.000 1.174 266 T CB 0.268 69.141 68.868 0.009 0.000 0.929 266 T HN 0.218 nan 8.240 nan 0.000 0.532 267 L N 6.541 127.782 121.223 0.029 0.000 2.369 267 L HA 0.412 4.752 4.340 -0.000 0.000 0.279 267 L C -0.571 176.351 176.870 0.085 0.000 1.108 267 L CA 0.161 55.063 54.840 0.104 0.000 0.852 267 L CB -0.266 41.895 42.059 0.170 0.000 1.169 267 L HN 0.556 nan 8.230 nan 0.000 0.452 268 I N 5.790 126.421 120.570 0.102 0.000 2.382 268 I HA 0.343 4.513 4.170 -0.000 0.000 0.285 268 I C -0.337 175.873 176.117 0.155 0.000 1.007 268 I CA -0.445 60.912 61.300 0.095 0.000 1.142 268 I CB 1.364 39.420 38.000 0.093 0.000 1.289 268 I HN 0.609 nan 8.210 nan 0.000 0.453 269 Q N 6.259 126.081 119.800 0.038 0.000 2.322 269 Q HA 0.443 4.783 4.340 -0.000 0.000 0.265 269 Q C -1.583 174.458 176.000 0.069 0.000 0.985 269 Q CA -0.708 55.026 55.803 -0.115 0.000 0.849 269 Q CB 1.837 30.291 28.738 -0.473 0.000 1.274 269 Q HN 0.380 nan 8.270 nan 0.000 0.449 270 F N 2.218 122.040 119.950 -0.214 0.000 2.396 270 F HA 0.339 4.866 4.527 -0.000 0.000 0.343 270 F C 0.479 176.289 175.800 0.016 0.000 1.104 270 F CA -0.499 57.441 58.000 -0.099 0.000 1.161 270 F CB 1.192 39.982 39.000 -0.350 0.000 1.146 270 F HN 0.535 nan 8.300 nan 0.000 0.522 271 E N 0.981 121.374 120.200 0.323 0.000 2.293 271 E HA 0.328 4.678 4.350 -0.000 0.000 0.270 271 E C -1.011 175.755 176.600 0.277 0.000 0.879 271 E CA -0.525 56.009 56.400 0.223 0.000 0.756 271 E CB 1.037 30.778 29.700 0.069 0.000 1.208 271 E HN 0.472 nan 8.360 nan 0.000 0.428 272 D N 2.064 122.584 120.400 0.200 0.000 2.702 272 D HA -0.237 4.403 4.640 -0.000 0.000 0.233 272 D C -0.734 175.625 176.300 0.098 0.000 1.164 272 D CA 0.949 55.020 54.000 0.120 0.000 0.638 272 D CB -1.109 39.706 40.800 0.024 0.000 1.041 272 D HN 0.213 nan 8.370 nan 0.000 0.422 273 F N 0.311 120.307 119.950 0.077 0.000 2.370 273 F HA 0.498 5.025 4.527 -0.000 0.000 0.319 273 F C 1.344 177.187 175.800 0.070 0.000 1.129 273 F CA -0.654 57.402 58.000 0.094 0.000 1.109 273 F CB 0.605 39.707 39.000 0.170 0.000 1.262 273 F HN -0.004 nan 8.300 nan 0.000 0.534 274 A N 2.672 125.615 122.820 0.205 0.000 2.492 274 A HA 0.104 4.424 4.320 -0.000 0.000 0.254 274 A C 1.317 178.990 177.584 0.149 0.000 1.091 274 A CA -0.462 51.646 52.037 0.118 0.000 0.768 274 A CB -0.233 18.801 19.000 0.057 0.000 1.028 274 A HN 0.858 nan 8.150 nan 0.000 0.498 275 N N 3.054 121.818 118.700 0.107 0.000 2.157 275 N HA -0.229 4.511 4.740 -0.000 0.000 0.198 275 N C -0.956 174.622 175.510 0.112 0.000 0.987 275 N CA 2.557 55.668 53.050 0.101 0.000 0.899 275 N CB -1.876 36.640 38.487 0.049 0.000 1.077 275 N HN 0.522 nan 8.380 nan 0.000 0.586 276 P HA -0.082 nan 4.420 nan 0.000 0.214 276 P C 1.289 178.657 177.300 0.113 0.000 1.163 276 P CA 1.258 64.401 63.100 0.072 0.000 0.889 276 P CB -0.062 31.654 31.700 0.027 0.000 0.790 277 N N -0.787 117.984 118.700 0.118 0.000 2.084 277 N HA -0.135 4.605 4.740 -0.000 0.000 0.190 277 N C 1.701 177.295 175.510 0.140 0.000 1.030 277 N CA 1.629 54.770 53.050 0.151 0.000 0.849 277 N CB -0.891 37.740 38.487 0.239 0.000 1.012 277 N HN -0.020 nan 8.380 nan 0.000 0.423 278 A N 0.056 122.982 122.820 0.177 0.000 1.917 278 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 278 A C 2.210 179.802 177.584 0.014 0.000 1.182 278 A CA 1.203 53.296 52.037 0.094 0.000 0.633 278 A CB -1.024 18.085 19.000 0.180 0.000 0.819 278 A HN 0.360 nan 8.150 nan 0.000 0.448 279 F N -0.020 119.913 119.950 -0.029 0.000 2.128 279 F HA -0.052 4.475 4.527 -0.000 0.000 0.295 279 F C 2.388 178.141 175.800 -0.079 0.000 1.100 279 F CA 1.804 59.771 58.000 -0.055 0.000 1.260 279 F CB -0.272 38.699 39.000 -0.048 0.000 1.009 279 F HN 0.193 nan 8.300 nan 0.000 0.476 280 R N 0.442 120.972 120.500 0.051 0.000 2.088 280 R HA -0.198 4.142 4.340 -0.000 0.000 0.232 280 R C 2.334 178.507 176.300 -0.211 0.000 1.136 280 R CA 2.347 58.419 56.100 -0.047 0.000 0.926 280 R CB -0.844 29.466 30.300 0.017 0.000 0.837 280 R HN 0.364 nan 8.270 nan 0.000 0.429 281 L N 0.820 121.928 121.223 -0.192 0.000 2.021 281 L HA -0.271 4.069 4.340 -0.000 0.000 0.215 281 L C 2.612 179.209 176.870 -0.456 0.000 1.074 281 L CA 1.200 55.845 54.840 -0.325 0.000 0.760 281 L CB -0.678 41.235 42.059 -0.244 0.000 0.889 281 L HN 0.353 nan 8.230 nan 0.000 0.433 282 L N -0.171 120.787 121.223 -0.442 0.000 2.042 282 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 282 L C 2.177 178.825 176.870 -0.371 0.000 1.076 282 L CA 2.011 56.602 54.840 -0.415 0.000 0.749 282 L CB -0.835 40.980 42.059 -0.406 0.000 0.893 282 L HN 0.316 nan 8.230 nan 0.000 0.432 283 D N -0.579 119.552 120.400 -0.448 0.000 2.178 283 D HA -0.257 4.383 4.640 -0.000 0.000 0.202 283 D C 2.058 178.200 176.300 -0.264 0.000 0.974 283 D CA 1.129 54.917 54.000 -0.353 0.000 0.841 283 D CB 0.166 40.763 40.800 -0.339 0.000 0.953 283 D HN 0.489 nan 8.370 nan 0.000 0.478 284 K N -0.894 119.296 120.400 -0.349 0.000 2.217 284 K HA -0.120 4.200 4.320 -0.000 0.000 0.202 284 K C 1.391 177.780 176.600 -0.352 0.000 1.051 284 K CA 0.875 56.915 56.287 -0.412 0.000 0.952 284 K CB 0.056 32.175 32.500 -0.635 0.000 0.736 284 K HN 0.263 nan 8.250 nan 0.000 0.453 285 Y N -0.521 119.742 120.300 -0.062 0.000 2.444 285 Y HA 0.084 4.634 4.550 -0.000 0.000 0.252 285 Y C 2.212 178.137 175.900 0.041 0.000 1.091 285 Y CA -0.357 57.774 58.100 0.052 0.000 1.276 285 Y CB 0.330 38.842 38.460 0.088 0.000 1.170 285 Y HN 0.109 nan 8.280 nan 0.000 0.517 286 Q N 1.119 120.965 119.800 0.077 0.000 2.156 286 Q HA -0.263 4.077 4.340 -0.000 0.000 0.211 286 Q C 0.617 176.617 176.000 0.000 0.000 0.995 286 Q CA 2.351 58.188 55.803 0.056 0.000 0.877 286 Q CB -0.006 28.712 28.738 -0.033 0.000 0.920 286 Q HN 0.429 nan 8.270 nan 0.000 0.416 287 D N -1.439 118.874 120.400 -0.145 0.000 2.369 287 D HA 0.044 4.684 4.640 -0.000 0.000 0.211 287 D C 0.786 176.811 176.300 -0.458 0.000 1.077 287 D CA 0.289 53.994 54.000 -0.491 0.000 0.842 287 D CB 0.400 41.009 40.800 -0.319 0.000 0.947 287 D HN 0.312 nan 8.370 nan 0.000 0.509 288 K N -0.570 119.779 120.400 -0.084 0.000 2.367 288 K HA 0.131 4.451 4.320 -0.000 0.000 0.195 288 K C 0.035 176.503 176.600 -0.219 0.000 1.060 288 K CA 0.273 56.477 56.287 -0.138 0.000 1.022 288 K CB 1.284 33.648 32.500 -0.227 0.000 0.894 288 K HN 0.069 nan 8.250 nan 0.000 0.540 289 Y N -0.478 120.032 120.300 0.350 0.000 2.677 289 Y HA 0.168 4.718 4.550 -0.000 0.000 0.334 289 Y C -0.139 175.876 175.900 0.192 0.000 1.154 289 Y CA -1.225 56.992 58.100 0.195 0.000 1.070 289 Y CB 1.838 40.343 38.460 0.074 0.000 1.294 289 Y HN -0.339 nan 8.280 nan 0.000 0.475 290 T N 3.909 118.621 114.554 0.264 0.000 3.414 290 T HA 0.279 4.629 4.350 -0.000 0.000 0.304 290 T C -0.431 174.413 174.700 0.240 0.000 1.241 290 T CA -0.003 62.197 62.100 0.168 0.000 1.076 290 T CB -0.608 68.305 68.868 0.076 0.000 1.134 290 T HN 0.317 nan 8.240 nan 0.000 0.759 291 M N 3.830 123.611 119.600 0.302 0.000 2.658 291 M HA 0.787 5.267 4.480 -0.000 0.000 0.295 291 M C -2.005 174.534 176.300 0.398 0.000 1.248 291 M CA -1.209 54.263 55.300 0.286 0.000 0.843 291 M CB 2.517 35.233 32.600 0.192 0.000 1.749 291 M HN 0.458 nan 8.290 nan 0.000 0.464 292 F N 1.216 121.260 119.950 0.158 0.000 2.725 292 F HA 0.443 4.970 4.527 -0.000 0.000 0.311 292 F C -2.127 173.762 175.800 0.149 0.000 1.121 292 F CA -0.952 57.156 58.000 0.179 0.000 0.978 292 F CB 0.867 40.092 39.000 0.373 0.000 1.274 292 F HN 0.616 nan 8.300 nan 0.000 0.440 293 N N 2.913 121.736 118.700 0.204 0.000 2.511 293 N HA 0.151 4.891 4.740 -0.000 0.000 0.249 293 N C 0.064 175.700 175.510 0.210 0.000 0.971 293 N CA -0.007 53.084 53.050 0.069 0.000 0.938 293 N CB 1.491 39.981 38.487 0.005 0.000 1.131 293 N HN 1.018 nan 8.380 nan 0.000 0.505 294 D N 2.754 123.253 120.400 0.166 0.000 2.123 294 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 294 D C 0.729 177.159 176.300 0.215 0.000 0.992 294 D CA 1.508 55.702 54.000 0.324 0.000 0.833 294 D CB 0.378 41.308 40.800 0.216 0.000 0.954 294 D HN 0.504 nan 8.370 nan 0.000 0.455 295 D N -0.239 120.256 120.400 0.158 0.000 2.158 295 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 295 D C 2.180 178.548 176.300 0.113 0.000 0.995 295 D CA 0.932 55.017 54.000 0.141 0.000 0.846 295 D CB -0.042 40.840 40.800 0.137 0.000 0.941 295 D HN 0.440 nan 8.370 nan 0.000 0.456 296 I N 0.335 120.962 120.570 0.094 0.000 2.405 296 I HA -0.176 3.994 4.170 -0.000 0.000 0.236 296 I C 2.429 178.529 176.117 -0.028 0.000 1.071 296 I CA 0.632 61.967 61.300 0.058 0.000 1.398 296 I CB -0.315 37.728 38.000 0.072 0.000 1.162 296 I HN -0.167 nan 8.210 nan 0.000 0.432 297 Q N 0.931 120.650 119.800 -0.135 0.000 2.172 297 Q HA -0.035 4.305 4.340 -0.000 0.000 0.200 297 Q C 2.266 178.008 176.000 -0.429 0.000 0.964 297 Q CA 1.335 56.837 55.803 -0.501 0.000 0.855 297 Q CB -0.283 27.813 28.738 -1.071 0.000 0.918 297 Q HN 0.622 nan 8.270 nan 0.000 0.444 298 G N 0.446 109.217 108.800 -0.049 0.000 2.433 298 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 298 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 298 G C 1.387 176.374 174.900 0.146 0.000 1.186 298 G CA 1.359 46.568 45.100 0.180 0.000 0.779 298 G HN 0.246 nan 8.290 nan 0.000 0.543 299 T N 1.953 116.582 114.554 0.126 0.000 2.607 299 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 299 T C 2.819 177.581 174.700 0.103 0.000 1.049 299 T CA 2.081 64.255 62.100 0.124 0.000 1.162 299 T CB -0.705 68.227 68.868 0.107 0.000 0.863 299 T HN 0.405 nan 8.240 nan 0.000 0.424 300 A N 1.174 124.020 122.820 0.042 0.000 1.896 300 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 300 A C 2.583 180.204 177.584 0.062 0.000 1.206 300 A CA 2.742 54.796 52.037 0.028 0.000 0.647 300 A CB -1.345 17.625 19.000 -0.049 0.000 0.828 300 A HN 0.498 nan 8.150 nan 0.000 0.455 301 S N -1.007 114.720 115.700 0.044 0.000 2.402 301 S HA -0.104 4.366 4.470 -0.000 0.000 0.229 301 S C 1.871 176.571 174.600 0.166 0.000 1.021 301 S CA 1.575 59.845 58.200 0.117 0.000 0.974 301 S CB -0.594 62.720 63.200 0.189 0.000 0.800 301 S HN 0.358 nan 8.310 nan 0.000 0.484 302 V N 2.464 122.490 119.914 0.188 0.000 2.307 302 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 302 V C 2.447 178.727 176.094 0.309 0.000 1.045 302 V CA 1.378 63.821 62.300 0.238 0.000 1.024 302 V CB -0.718 31.223 31.823 0.196 0.000 0.651 302 V HN 0.451 nan 8.190 nan 0.000 0.449 303 I N 0.376 121.109 120.570 0.273 0.000 2.142 303 I HA -0.167 4.003 4.170 -0.000 0.000 0.240 303 I C 2.550 178.843 176.117 0.293 0.000 1.078 303 I CA 1.407 62.918 61.300 0.353 0.000 1.343 303 I CB -1.393 36.801 38.000 0.324 0.000 1.046 303 I HN 0.159 nan 8.210 nan 0.000 0.405 304 V N 1.633 121.656 119.914 0.182 0.000 2.453 304 V HA -0.291 3.829 4.120 -0.000 0.000 0.252 304 V C 2.794 178.948 176.094 0.101 0.000 1.068 304 V CA 1.817 64.183 62.300 0.110 0.000 1.070 304 V CB -1.271 30.602 31.823 0.083 0.000 0.664 304 V HN 0.494 nan 8.190 nan 0.000 0.461 305 A N 0.246 123.137 122.820 0.118 0.000 1.969 305 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 305 A C 2.376 179.915 177.584 -0.076 0.000 1.169 305 A CA 1.666 53.730 52.037 0.046 0.000 0.635 305 A CB -0.863 18.186 19.000 0.081 0.000 0.810 305 A HN 0.528 nan 8.150 nan 0.000 0.445 306 G N -0.257 108.513 108.800 -0.050 0.000 2.396 306 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.214 306 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.214 306 G C 1.512 176.465 174.900 0.088 0.000 1.166 306 G CA 0.816 45.760 45.100 -0.260 0.000 0.793 306 G HN 0.412 nan 8.290 nan 0.000 0.533 307 L N -0.052 121.277 121.223 0.177 0.000 2.093 307 L HA 0.044 4.384 4.340 -0.000 0.000 0.208 307 L C 2.817 179.734 176.870 0.077 0.000 1.085 307 L CA 0.472 55.373 54.840 0.101 0.000 0.755 307 L CB -0.350 41.730 42.059 0.035 0.000 0.904 307 L HN 0.160 nan 8.230 nan 0.000 0.435 308 L N -0.815 120.438 121.223 0.050 0.000 2.141 308 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 308 L C 2.531 179.407 176.870 0.009 0.000 1.094 308 L CA 1.224 56.086 54.840 0.036 0.000 0.763 308 L CB -0.603 41.473 42.059 0.028 0.000 0.908 308 L HN 0.263 nan 8.230 nan 0.000 0.437 309 T N -1.759 112.776 114.554 -0.032 0.000 2.857 309 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 309 T C 1.965 176.660 174.700 -0.008 0.000 1.048 309 T CA 1.053 63.122 62.100 -0.052 0.000 1.139 309 T CB -0.336 68.443 68.868 -0.148 0.000 0.874 309 T HN 0.374 nan 8.240 nan 0.000 0.455 310 C N 1.690 121.003 119.300 0.023 0.000 2.419 310 C HA -0.056 4.404 4.460 -0.000 0.000 0.281 310 C C 3.022 178.035 174.990 0.039 0.000 1.336 310 C CA 0.806 59.855 59.018 0.052 0.000 1.770 310 C CB -1.424 26.361 27.740 0.076 0.000 1.929 310 C HN 0.566 nan 8.230 nan 0.000 0.509 311 T N 0.548 115.126 114.554 0.039 0.000 2.737 311 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 311 T C 1.773 176.488 174.700 0.026 0.000 1.040 311 T CA 1.348 63.469 62.100 0.037 0.000 1.142 311 T CB -0.284 68.611 68.868 0.045 0.000 0.861 311 T HN 0.599 nan 8.240 nan 0.000 0.456 312 R N 0.047 120.560 120.500 0.022 0.000 2.328 312 R HA 0.058 4.398 4.340 -0.000 0.000 0.207 312 R C 1.712 178.024 176.300 0.021 0.000 1.056 312 R CA 0.412 56.523 56.100 0.019 0.000 1.016 312 R CB 0.028 30.336 30.300 0.014 0.000 0.872 312 R HN 0.290 nan 8.270 nan 0.000 0.471 313 V N -1.224 118.705 119.914 0.026 0.000 2.996 313 V HA -0.078 4.042 4.120 -0.000 0.000 0.235 313 V C 1.922 178.028 176.094 0.021 0.000 1.205 313 V CA 1.396 63.713 62.300 0.029 0.000 1.225 313 V CB 0.676 32.526 31.823 0.045 0.000 0.995 313 V HN 0.346 nan 8.190 nan 0.000 0.484 314 T N -2.431 112.132 114.554 0.016 0.000 3.215 314 T HA -0.047 4.302 4.350 -0.000 0.000 0.254 314 T C 1.015 175.714 174.700 -0.001 0.000 1.149 314 T CA 0.132 62.233 62.100 0.001 0.000 1.042 314 T CB -0.329 68.530 68.868 -0.015 0.000 0.966 314 T HN 0.304 nan 8.240 nan 0.000 0.534 315 K N 0.321 120.726 120.400 0.007 0.000 2.905 315 K HA -0.176 4.144 4.320 -0.000 0.000 0.256 315 K C -0.387 176.216 176.600 0.005 0.000 1.008 315 K CA 1.107 57.398 56.287 0.007 0.000 0.752 315 K CB -1.613 30.890 32.500 0.005 0.000 1.216 315 K HN 0.622 nan 8.250 nan 0.000 0.479 316 K N 0.462 120.864 120.400 0.002 0.000 2.358 316 K HA 0.324 4.644 4.320 -0.000 0.000 0.260 316 K C 0.033 176.644 176.600 0.019 0.000 0.956 316 K CA -1.043 55.244 56.287 -0.000 0.000 0.834 316 K CB 1.326 33.811 32.500 -0.025 0.000 1.102 316 K HN -0.176 nan 8.250 nan 0.000 0.431 317 L N 2.414 123.655 121.223 0.029 0.000 2.482 317 L HA -0.051 4.289 4.340 -0.000 0.000 0.273 317 L C 1.634 178.553 176.870 0.082 0.000 1.228 317 L CA 0.630 55.501 54.840 0.051 0.000 0.827 317 L CB 0.706 42.793 42.059 0.046 0.000 1.099 317 L HN 0.519 nan 8.230 nan 0.000 0.494 318 V N 0.569 120.556 119.914 0.121 0.000 2.453 318 V HA -0.254 3.865 4.120 -0.000 0.000 0.252 318 V C 1.962 178.180 176.094 0.207 0.000 1.068 318 V CA 1.997 64.424 62.300 0.212 0.000 1.070 318 V CB -0.847 31.082 31.823 0.177 0.000 0.664 318 V HN 1.017 nan 8.190 nan 0.000 0.461 319 S N -0.800 114.976 115.700 0.127 0.000 2.593 319 S HA 0.014 4.484 4.470 -0.000 0.000 0.217 319 S C 1.219 175.862 174.600 0.071 0.000 0.966 319 S CA 0.159 58.420 58.200 0.103 0.000 0.914 319 S CB -0.114 63.128 63.200 0.071 0.000 0.776 319 S HN 0.736 nan 8.310 nan 0.000 0.523 320 Q N 0.427 120.260 119.800 0.055 0.000 2.182 320 Q HA 0.457 4.796 4.340 -0.000 0.000 0.270 320 Q C -0.616 175.374 176.000 -0.016 0.000 0.861 320 Q CA -0.118 55.697 55.803 0.020 0.000 1.098 320 Q CB 0.649 29.396 28.738 0.015 0.000 1.188 320 Q HN 0.425 nan 8.270 nan 0.000 0.464 321 E N 0.706 120.888 120.200 -0.030 0.000 2.433 321 E HA 0.454 4.804 4.350 -0.000 0.000 0.273 321 E C -1.454 175.009 176.600 -0.227 0.000 0.950 321 E CA -0.652 55.634 56.400 -0.191 0.000 0.796 321 E CB 1.436 30.945 29.700 -0.318 0.000 1.330 321 E HN -0.106 nan 8.360 nan 0.000 0.455 322 K N 1.684 121.840 120.400 -0.407 0.000 2.507 322 K HA 0.394 4.714 4.320 -0.000 0.000 0.251 322 K C -1.469 174.889 176.600 -0.403 0.000 0.943 322 K CA -0.654 55.510 56.287 -0.204 0.000 0.794 322 K CB 1.465 33.946 32.500 -0.031 0.000 1.188 322 K HN 0.393 nan 8.250 nan 0.000 0.428 323 Y N 1.725 122.103 120.300 0.130 0.000 2.409 323 Y HA 0.475 5.025 4.550 -0.000 0.000 0.339 323 Y C -0.423 175.547 175.900 0.117 0.000 1.033 323 Y CA -1.207 56.910 58.100 0.028 0.000 1.094 323 Y CB 1.435 39.897 38.460 0.003 0.000 1.210 323 Y HN 0.339 nan 8.280 nan 0.000 0.456 324 L N 4.230 125.498 121.223 0.074 0.000 2.345 324 L HA 0.572 4.912 4.340 -0.000 0.000 0.274 324 L C -1.878 175.017 176.870 0.042 0.000 0.999 324 L CA -0.775 54.140 54.840 0.124 0.000 0.849 324 L CB -0.060 41.998 42.059 -0.003 0.000 1.220 324 L HN 0.403 nan 8.230 nan 0.000 0.422 325 F N 5.336 125.399 119.950 0.189 0.000 2.404 325 F HA 0.305 4.832 4.527 -0.000 0.000 0.358 325 F C -0.064 175.884 175.800 0.246 0.000 1.120 325 F CA -0.075 58.036 58.000 0.185 0.000 1.144 325 F CB 0.879 39.925 39.000 0.077 0.000 1.133 325 F HN 0.395 nan 8.300 nan 0.000 0.495 326 F N 3.792 123.925 119.950 0.304 0.000 2.406 326 F HA 0.621 5.148 4.527 -0.000 0.000 0.358 326 F C 0.307 176.240 175.800 0.222 0.000 1.161 326 F CA -0.645 57.523 58.000 0.279 0.000 1.185 326 F CB -0.114 39.161 39.000 0.457 0.000 1.421 326 F HN 0.558 nan 8.300 nan 0.000 0.576 327 G N 3.538 112.272 108.800 -0.111 0.000 2.653 327 G HA2 0.436 4.396 3.960 -0.000 0.000 0.656 327 G HA3 0.436 4.396 3.960 -0.000 0.000 0.656 327 G C -1.132 173.742 174.900 -0.043 0.000 1.419 327 G CA -0.429 44.588 45.100 -0.138 0.000 0.862 327 G HN 1.188 nan 8.290 nan 0.000 0.639 328 A N 0.892 123.662 122.820 -0.083 0.000 2.795 328 A HA 0.813 5.133 4.320 -0.000 0.000 0.282 328 A C 1.123 178.748 177.584 0.068 0.000 0.964 328 A CA 1.090 53.081 52.037 -0.076 0.000 1.045 328 A CB -0.089 18.724 19.000 -0.311 0.000 1.174 328 A HN 2.058 nan 8.150 nan 0.000 0.493 329 G N -0.814 107.988 108.800 0.003 0.000 2.714 329 G HA2 0.478 4.438 3.960 -0.000 0.000 0.197 329 G HA3 0.478 4.438 3.960 -0.000 0.000 0.197 329 G C 1.288 176.163 174.900 -0.043 0.000 1.449 329 G CA 0.366 45.460 45.100 -0.009 0.000 1.065 329 G HN 0.658 nan 8.290 nan 0.000 0.575 330 A N -0.344 122.455 122.820 -0.034 0.000 1.841 330 A HA 0.147 4.467 4.320 -0.000 0.000 0.216 330 A C 2.817 180.386 177.584 -0.024 0.000 1.199 330 A CA 3.174 55.193 52.037 -0.030 0.000 0.621 330 A CB -1.332 17.678 19.000 0.018 0.000 0.835 330 A HN 1.404 nan 8.150 nan 0.000 0.445 331 A N -0.620 122.207 122.820 0.012 0.000 1.859 331 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 331 A C 2.495 180.075 177.584 -0.007 0.000 1.209 331 A CA 2.747 54.805 52.037 0.035 0.000 0.639 331 A CB -1.301 17.745 19.000 0.076 0.000 0.835 331 A HN 0.517 nan 8.150 nan 0.000 0.450 332 S N -0.805 114.878 115.700 -0.028 0.000 2.359 332 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 332 S C 2.091 176.389 174.600 -0.504 0.000 1.035 332 S CA 1.860 59.940 58.200 -0.199 0.000 1.018 332 S CB -0.716 62.434 63.200 -0.084 0.000 0.876 332 S HN 0.728 nan 8.310 nan 0.000 0.448 333 T N 1.503 115.863 114.554 -0.324 0.000 2.684 333 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 333 T C 2.032 176.548 174.700 -0.305 0.000 1.036 333 T CA 1.427 63.311 62.100 -0.360 0.000 1.148 333 T CB -0.928 67.798 68.868 -0.236 0.000 0.863 333 T HN 0.554 nan 8.240 nan 0.000 0.436 334 G N 1.380 110.078 108.800 -0.171 0.000 2.421 334 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 334 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 334 G C 1.526 176.369 174.900 -0.096 0.000 1.171 334 G CA 0.612 45.665 45.100 -0.077 0.000 0.775 334 G HN 0.524 nan 8.290 nan 0.000 0.543 335 I N 1.443 121.940 120.570 -0.122 0.000 2.361 335 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 335 I C 3.244 179.286 176.117 -0.126 0.000 1.133 335 I CA 0.850 62.119 61.300 -0.052 0.000 1.413 335 I CB -0.281 37.785 38.000 0.110 0.000 1.073 335 I HN 0.250 nan 8.210 nan 0.000 0.424 336 A N 1.138 123.707 122.820 -0.418 0.000 1.845 336 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 336 A C 2.218 179.813 177.584 0.020 0.000 1.195 336 A CA 1.726 53.535 52.037 -0.380 0.000 0.616 336 A CB -0.737 17.680 19.000 -0.973 0.000 0.832 336 A HN 0.435 nan 8.150 nan 0.000 0.443 337 E N -0.709 119.524 120.200 0.055 0.000 2.130 337 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 337 E C 2.050 178.753 176.600 0.171 0.000 0.998 337 E CA 1.400 57.940 56.400 0.234 0.000 0.806 337 E CB -0.281 29.523 29.700 0.173 0.000 0.738 337 E HN 0.493 nan 8.360 nan 0.000 0.459 338 M N 0.158 119.812 119.600 0.089 0.000 2.200 338 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 338 M C 2.337 178.709 176.300 0.120 0.000 1.066 338 M CA 1.155 56.506 55.300 0.085 0.000 1.127 338 M CB -0.330 32.289 32.600 0.032 0.000 1.379 338 M HN 0.173 nan 8.290 nan 0.000 0.420 339 I N -0.558 120.066 120.570 0.090 0.000 2.361 339 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 339 I C 2.272 178.469 176.117 0.134 0.000 1.133 339 I CA 0.762 62.104 61.300 0.069 0.000 1.413 339 I CB -0.333 37.656 38.000 -0.019 0.000 1.073 339 I HN 0.031 nan 8.210 nan 0.000 0.424 340 V N 0.400 120.421 119.914 0.179 0.000 2.244 340 V HA -0.342 3.778 4.120 -0.000 0.000 0.244 340 V C 2.440 178.616 176.094 0.136 0.000 1.042 340 V CA 2.325 64.719 62.300 0.158 0.000 1.006 340 V CB -0.893 31.025 31.823 0.159 0.000 0.641 340 V HN 0.437 nan 8.190 nan 0.000 0.446 341 H N 0.063 119.178 119.070 0.075 0.000 2.267 341 H HA -0.315 4.241 4.556 -0.000 0.000 0.291 341 H C 2.354 177.717 175.328 0.059 0.000 1.094 341 H CA 2.774 58.860 56.048 0.063 0.000 1.227 341 H CB -0.116 29.687 29.762 0.068 0.000 1.351 341 H HN 0.400 nan 8.280 nan 0.000 0.483 342 Q N 0.232 120.164 119.800 0.220 0.000 2.045 342 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 342 Q C 2.408 178.457 176.000 0.082 0.000 0.991 342 Q CA 2.438 58.328 55.803 0.144 0.000 0.851 342 Q CB -0.387 28.427 28.738 0.126 0.000 0.911 342 Q HN 0.643 nan 8.270 nan 0.000 0.418 343 M N -0.348 119.303 119.600 0.085 0.000 2.106 343 M HA -0.266 4.214 4.480 -0.000 0.000 0.259 343 M C 2.270 178.586 176.300 0.027 0.000 1.068 343 M CA 2.067 57.408 55.300 0.069 0.000 1.100 343 M CB -0.417 32.237 32.600 0.090 0.000 1.351 343 M HN 0.332 nan 8.290 nan 0.000 0.404 344 Q N -0.028 119.766 119.800 -0.010 0.000 2.170 344 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 344 Q C 1.409 177.377 176.000 -0.052 0.000 0.976 344 Q CA 0.918 56.691 55.803 -0.050 0.000 0.858 344 Q CB -0.299 28.373 28.738 -0.110 0.000 0.907 344 Q HN 0.533 nan 8.270 nan 0.000 0.433 345 N N 0.874 119.543 118.700 -0.051 0.000 2.521 345 N HA -0.067 4.673 4.740 -0.000 0.000 0.188 345 N C 0.267 175.786 175.510 0.016 0.000 1.146 345 N CA 0.679 53.720 53.050 -0.016 0.000 0.893 345 N CB 0.258 38.757 38.487 0.020 0.000 0.975 345 N HN 0.372 nan 8.380 nan 0.000 0.451 346 E N -0.264 119.947 120.200 0.019 0.000 2.437 346 E HA 0.197 4.547 4.350 -0.000 0.000 0.195 346 E C 0.247 176.859 176.600 0.021 0.000 1.029 346 E CA -0.354 56.063 56.400 0.029 0.000 0.948 346 E CB 0.248 29.973 29.700 0.043 0.000 1.082 346 E HN 0.208 nan 8.360 nan 0.000 0.456 347 G N 1.864 110.671 108.800 0.011 0.000 2.248 347 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.263 347 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.263 347 G C 0.021 174.924 174.900 0.005 0.000 1.082 347 G CA 0.131 45.236 45.100 0.007 0.000 0.863 347 G HN 0.271 nan 8.290 nan 0.000 0.495 348 I N -0.478 120.093 120.570 0.001 0.000 3.264 348 I HA 0.614 4.784 4.170 -0.000 0.000 0.315 348 I C 0.779 176.889 176.117 -0.012 0.000 1.154 348 I CA -0.688 60.612 61.300 0.000 0.000 0.962 348 I CB 2.183 40.191 38.000 0.012 0.000 1.265 348 I HN 0.330 nan 8.210 nan 0.000 0.463 349 S N 0.535 116.226 115.700 -0.014 0.000 2.722 349 S HA 0.369 4.839 4.470 -0.000 0.000 0.292 349 S C 0.201 174.781 174.600 -0.033 0.000 1.135 349 S CA -0.701 57.484 58.200 -0.024 0.000 1.003 349 S CB 1.653 64.839 63.200 -0.023 0.000 1.067 349 S HN 0.628 nan 8.310 nan 0.000 0.546 350 K N 0.274 120.647 120.400 -0.045 0.000 2.546 350 K HA 0.078 4.398 4.320 -0.000 0.000 0.198 350 K C 0.817 177.366 176.600 -0.084 0.000 1.028 350 K CA 0.246 56.495 56.287 -0.064 0.000 1.150 350 K CB -0.111 32.350 32.500 -0.064 0.000 0.876 350 K HN 0.727 nan 8.250 nan 0.000 0.508 351 E N -0.257 119.905 120.200 -0.063 0.000 2.110 351 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 351 E C 1.375 177.940 176.600 -0.059 0.000 0.944 351 E CA 0.005 56.365 56.400 -0.066 0.000 0.899 351 E CB -0.190 29.483 29.700 -0.045 0.000 0.907 351 E HN 0.213 nan 8.360 nan 0.000 0.473 352 E N 1.183 121.364 120.200 -0.032 0.000 2.333 352 E HA -0.153 4.196 4.350 -0.000 0.000 0.198 352 E C 1.755 178.355 176.600 -0.000 0.000 1.007 352 E CA 0.716 57.109 56.400 -0.012 0.000 0.845 352 E CB 0.030 29.730 29.700 0.001 0.000 0.766 352 E HN 0.279 nan 8.360 nan 0.000 0.507 353 A N 0.333 123.145 122.820 -0.013 0.000 1.832 353 A HA -0.147 4.173 4.320 -0.000 0.000 0.214 353 A C 2.423 180.009 177.584 0.004 0.000 1.204 353 A CA 1.140 53.186 52.037 0.015 0.000 0.606 353 A CB -0.861 18.140 19.000 0.001 0.000 0.849 353 A HN 0.504 nan 8.150 nan 0.000 0.445 354 C N -0.027 119.202 119.300 -0.119 0.000 2.419 354 C HA -0.077 4.383 4.460 -0.000 0.000 0.281 354 C C 2.503 177.410 174.990 -0.137 0.000 1.336 354 C CA 1.062 59.923 59.018 -0.261 0.000 1.770 354 C CB -1.903 25.497 27.740 -0.567 0.000 1.929 354 C HN 0.753 nan 8.230 nan 0.000 0.509 355 N N 0.319 118.954 118.700 -0.110 0.000 2.520 355 N HA -0.057 4.683 4.740 -0.000 0.000 0.185 355 N C 1.565 177.025 175.510 -0.084 0.000 1.068 355 N CA 0.381 53.362 53.050 -0.115 0.000 0.911 355 N CB -0.020 38.429 38.487 -0.064 0.000 0.961 355 N HN 0.566 nan 8.380 nan 0.000 0.446 356 R N -0.024 120.495 120.500 0.031 0.000 2.393 356 R HA 0.285 4.625 4.340 -0.000 0.000 0.244 356 R C -0.363 176.104 176.300 0.278 0.000 0.920 356 R CA 0.141 56.334 56.100 0.154 0.000 1.076 356 R CB 0.658 31.058 30.300 0.167 0.000 1.119 356 R HN 0.193 nan 8.270 nan 0.000 0.524 357 I N 0.657 121.348 120.570 0.200 0.000 2.466 357 I HA 0.284 4.454 4.170 -0.000 0.000 0.289 357 I C -1.107 175.123 176.117 0.188 0.000 1.026 357 I CA -1.029 60.506 61.300 0.392 0.000 1.078 357 I CB 1.599 39.924 38.000 0.542 0.000 1.249 357 I HN -0.124 nan 8.210 nan 0.000 0.429 358 Y N 6.109 126.586 120.300 0.294 0.000 2.377 358 Y HA 0.653 5.203 4.550 -0.000 0.000 0.339 358 Y C -0.314 175.716 175.900 0.216 0.000 1.011 358 Y CA -0.800 57.426 58.100 0.209 0.000 1.093 358 Y CB 1.623 40.169 38.460 0.142 0.000 1.201 358 Y HN 0.272 nan 8.280 nan 0.000 0.455 359 L N 4.336 125.696 121.223 0.228 0.000 2.365 359 L HA 0.641 4.981 4.340 -0.000 0.000 0.273 359 L C -0.660 176.250 176.870 0.066 0.000 1.000 359 L CA -0.742 54.158 54.840 0.100 0.000 0.819 359 L CB 1.875 43.838 42.059 -0.160 0.000 1.284 359 L HN 0.560 nan 8.230 nan 0.000 0.418 360 M N 3.607 123.255 119.600 0.079 0.000 2.311 360 M HA 0.347 4.827 4.480 -0.000 0.000 0.325 360 M C -1.019 175.216 176.300 -0.108 0.000 1.061 360 M CA -0.626 54.698 55.300 0.040 0.000 0.957 360 M CB 2.259 34.976 32.600 0.195 0.000 1.646 360 M HN 0.637 nan 8.290 nan 0.000 0.434 361 D N 2.166 122.493 120.400 -0.121 0.000 2.650 361 D HA 0.256 4.896 4.640 -0.000 0.000 0.255 361 D C 0.717 176.934 176.300 -0.138 0.000 1.135 361 D CA -0.592 53.319 54.000 -0.149 0.000 1.099 361 D CB 1.233 41.969 40.800 -0.106 0.000 1.273 361 D HN 0.596 nan 8.370 nan 0.000 0.628 362 I N -0.131 120.374 120.570 -0.107 0.000 2.423 362 I HA -0.217 3.953 4.170 -0.000 0.000 0.254 362 I C 0.360 176.459 176.117 -0.030 0.000 1.151 362 I CA 1.353 62.608 61.300 -0.074 0.000 1.421 362 I CB -0.081 37.890 38.000 -0.048 0.000 1.079 362 I HN 0.194 nan 8.210 nan 0.000 0.431 363 D N 1.780 122.167 120.400 -0.021 0.000 3.072 363 D HA 0.292 4.932 4.640 -0.000 0.000 0.250 363 D C 0.897 177.204 176.300 0.011 0.000 1.304 363 D CA 0.858 54.859 54.000 0.001 0.000 0.861 363 D CB -0.389 40.413 40.800 0.003 0.000 1.062 363 D HN 0.502 nan 8.370 nan 0.000 0.481 364 G N 0.823 109.636 108.800 0.022 0.000 2.569 364 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.259 364 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.259 364 G C -0.144 174.784 174.900 0.047 0.000 1.263 364 G CA -0.428 44.703 45.100 0.053 0.000 0.928 364 G HN 0.389 nan 8.290 nan 0.000 0.572 365 L N -0.425 120.839 121.223 0.069 0.000 2.467 365 L HA 0.523 4.863 4.340 -0.000 0.000 0.270 365 L C 0.886 177.781 176.870 0.042 0.000 1.205 365 L CA 0.051 54.937 54.840 0.077 0.000 0.828 365 L CB 1.188 43.308 42.059 0.101 0.000 1.101 365 L HN 0.747 nan 8.230 nan 0.000 0.479 366 V N 4.526 124.458 119.914 0.031 0.000 2.258 366 V HA 0.251 4.371 4.120 -0.000 0.000 0.258 366 V C 0.643 176.757 176.094 0.034 0.000 1.121 366 V CA 0.058 62.356 62.300 -0.003 0.000 0.942 366 V CB -0.167 31.602 31.823 -0.091 0.000 1.170 366 V HN 1.037 nan 8.190 nan 0.000 0.487 367 T N 1.499 116.077 114.554 0.040 0.000 2.914 367 T HA 0.363 4.713 4.350 -0.000 0.000 0.313 367 T C 0.964 175.684 174.700 0.034 0.000 1.137 367 T CA -0.339 61.787 62.100 0.044 0.000 0.946 367 T CB 1.230 70.124 68.868 0.044 0.000 1.558 367 T HN 0.424 nan 8.240 nan 0.000 0.565 368 K N 0.000 120.418 120.400 0.029 0.000 2.276 368 K HA 0.170 4.490 4.320 -0.000 0.000 0.198 368 K C 1.643 178.256 176.600 0.022 0.000 1.052 368 K CA 0.022 56.324 56.287 0.024 0.000 0.984 368 K CB 0.058 32.567 32.500 0.016 0.000 0.836 368 K HN 0.409 nan 8.250 nan 0.000 0.490 369 N N 2.340 121.053 118.700 0.022 0.000 2.680 369 N HA -0.096 4.644 4.740 -0.000 0.000 0.197 369 N C 0.524 176.046 175.510 0.019 0.000 1.288 369 N CA 0.440 53.501 53.050 0.019 0.000 0.924 369 N CB -0.146 38.352 38.487 0.018 0.000 1.025 369 N HN 0.101 nan 8.380 nan 0.000 0.447 370 R N 1.721 122.235 120.500 0.023 0.000 2.784 370 R HA 0.088 4.428 4.340 -0.000 0.000 0.266 370 R C -0.280 176.032 176.300 0.020 0.000 1.044 370 R CA 0.472 56.586 56.100 0.024 0.000 1.151 370 R CB 0.486 30.805 30.300 0.032 0.000 1.037 370 R HN -0.056 nan 8.270 nan 0.000 0.478 371 K N 2.371 122.783 120.400 0.019 0.000 2.471 371 K HA 0.172 4.492 4.320 -0.000 0.000 0.252 371 K C -1.114 175.495 176.600 0.015 0.000 0.938 371 K CA -0.655 55.641 56.287 0.015 0.000 0.796 371 K CB 1.829 34.336 32.500 0.012 0.000 1.161 371 K HN 0.712 nan 8.250 nan 0.000 0.425 372 E N 2.264 122.471 120.200 0.012 0.000 2.240 372 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 372 E C -0.405 176.204 176.600 0.015 0.000 1.385 372 E CA 0.517 56.922 56.400 0.009 0.000 0.686 372 E CB -1.072 28.631 29.700 0.005 0.000 1.125 372 E HN 0.514 nan 8.360 nan 0.000 0.359 373 M N -1.030 118.584 119.600 0.024 0.000 2.705 373 M HA 0.476 4.956 4.480 -0.000 0.000 0.311 373 M C 0.178 176.484 176.300 0.011 0.000 1.214 373 M CA -0.905 54.424 55.300 0.049 0.000 0.920 373 M CB 1.372 34.024 32.600 0.086 0.000 1.687 373 M HN -0.043 nan 8.290 nan 0.000 0.481 374 N N 1.450 120.136 118.700 -0.024 0.000 2.483 374 N HA 0.167 4.907 4.740 -0.000 0.000 0.264 374 N C -2.075 173.361 175.510 -0.123 0.000 1.197 374 N CA -1.109 51.832 53.050 -0.182 0.000 0.927 374 N CB 1.123 39.295 38.487 -0.525 0.000 1.065 374 N HN 0.452 nan 8.380 nan 0.000 0.461 375 P HA -0.083 nan 4.420 nan 0.000 0.220 375 P C 0.640 177.917 177.300 -0.039 0.000 1.144 375 P CA 1.357 64.426 63.100 -0.052 0.000 0.800 375 P CB 0.280 31.950 31.700 -0.051 0.000 0.772 376 R N -2.134 118.295 120.500 -0.118 0.000 2.161 376 R HA 0.017 4.357 4.340 -0.000 0.000 0.213 376 R C 2.083 178.467 176.300 0.141 0.000 1.055 376 R CA 0.772 56.839 56.100 -0.055 0.000 0.996 376 R CB -0.676 29.478 30.300 -0.244 0.000 0.901 376 R HN 0.450 nan 8.270 nan 0.000 0.456 377 H N -0.151 118.942 119.070 0.039 0.000 2.436 377 H HA -0.013 4.543 4.556 -0.000 0.000 0.294 377 H C 2.103 177.520 175.328 0.149 0.000 1.048 377 H CA 0.673 56.773 56.048 0.087 0.000 1.353 377 H CB 0.315 30.077 29.762 -0.000 0.000 1.414 377 H HN -0.090 nan 8.280 nan 0.000 0.536 378 V N 1.838 121.870 119.914 0.195 0.000 2.236 378 V HA -0.408 3.712 4.120 -0.000 0.000 0.255 378 V C 2.399 178.531 176.094 0.062 0.000 1.068 378 V CA 2.483 64.843 62.300 0.101 0.000 1.044 378 V CB -0.763 31.089 31.823 0.047 0.000 0.653 378 V HN 0.664 nan 8.190 nan 0.000 0.448 379 Q N -1.123 118.692 119.800 0.024 0.000 2.500 379 Q HA -0.120 4.220 4.340 -0.000 0.000 0.213 379 Q C 1.679 177.489 176.000 -0.316 0.000 0.974 379 Q CA 1.860 57.566 55.803 -0.162 0.000 0.918 379 Q CB -0.304 28.274 28.738 -0.266 0.000 0.980 379 Q HN 0.626 nan 8.270 nan 0.000 0.505 380 F N 0.714 120.651 119.950 -0.023 0.000 2.694 380 F HA 0.412 4.939 4.527 -0.000 0.000 0.292 380 F C 1.176 176.928 175.800 -0.081 0.000 1.121 380 F CA -0.307 57.659 58.000 -0.057 0.000 1.352 380 F CB 0.152 39.123 39.000 -0.047 0.000 1.107 380 F HN 0.056 nan 8.300 nan 0.000 0.597 381 A N 1.571 124.460 122.820 0.114 0.000 2.587 381 A HA 0.174 4.493 4.320 -0.000 0.000 0.233 381 A C 0.283 177.868 177.584 0.002 0.000 1.049 381 A CA 0.225 52.293 52.037 0.051 0.000 0.754 381 A CB 0.072 19.101 19.000 0.048 0.000 0.977 381 A HN 0.028 nan 8.150 nan 0.000 0.509 382 K N 1.523 121.926 120.400 0.006 0.000 2.207 382 K HA 0.228 4.548 4.320 -0.000 0.000 0.255 382 K C -0.931 175.686 176.600 0.030 0.000 0.941 382 K CA -0.614 55.669 56.287 -0.007 0.000 0.825 382 K CB 1.697 34.198 32.500 0.002 0.000 1.119 382 K HN 0.706 nan 8.250 nan 0.000 0.430 383 D N 3.773 124.187 120.400 0.023 0.000 2.801 383 D HA 0.078 4.718 4.640 -0.000 0.000 0.232 383 D C -0.127 176.200 176.300 0.045 0.000 1.128 383 D CA 0.112 54.129 54.000 0.029 0.000 1.003 383 D CB -0.256 40.555 40.800 0.018 0.000 1.110 383 D HN 0.372 nan 8.370 nan 0.000 0.477 384 M N -1.126 118.510 119.600 0.060 0.000 2.745 384 M HA 0.643 5.123 4.480 -0.000 0.000 0.290 384 M C -2.682 173.651 176.300 0.055 0.000 1.262 384 M CA -2.114 53.226 55.300 0.067 0.000 0.795 384 M CB 1.295 33.958 32.600 0.104 0.000 1.758 384 M HN -0.297 nan 8.290 nan 0.000 0.461 385 P HA 0.200 nan 4.420 nan 0.000 0.271 385 P C -1.161 176.165 177.300 0.043 0.000 1.220 385 P CA 0.148 63.271 63.100 0.038 0.000 0.768 385 P CB 0.377 32.095 31.700 0.029 0.000 0.848 386 E N 1.206 121.428 120.200 0.038 0.000 2.415 386 E HA 0.320 4.669 4.350 -0.000 0.000 0.263 386 E C 0.426 177.049 176.600 0.038 0.000 0.995 386 E CA 0.720 57.144 56.400 0.040 0.000 0.915 386 E CB 0.180 29.900 29.700 0.032 0.000 0.951 386 E HN 0.390 nan 8.360 nan 0.000 0.449 387 T N 0.802 115.383 114.554 0.046 0.000 2.840 387 T HA 0.348 4.697 4.350 -0.000 0.000 0.317 387 T C -0.045 174.692 174.700 0.061 0.000 1.401 387 T CA -0.618 61.509 62.100 0.045 0.000 1.028 387 T CB 1.296 70.187 68.868 0.038 0.000 1.317 387 T HN 0.301 nan 8.240 nan 0.000 0.495 388 T N 1.434 116.025 114.554 0.063 0.000 3.044 388 T HA 0.290 4.640 4.350 -0.000 0.000 0.260 388 T C 0.661 175.425 174.700 0.107 0.000 1.019 388 T CA -0.020 62.135 62.100 0.091 0.000 0.921 388 T CB 0.294 69.208 68.868 0.077 0.000 1.053 388 T HN 0.504 nan 8.240 nan 0.000 0.533 389 S N 1.133 116.873 115.700 0.067 0.000 2.499 389 S HA 0.366 4.836 4.470 -0.000 0.000 0.275 389 S C 1.384 176.000 174.600 0.027 0.000 1.257 389 S CA -0.627 57.597 58.200 0.039 0.000 1.050 389 S CB -0.002 63.203 63.200 0.009 0.000 0.937 389 S HN 0.262 nan 8.310 nan 0.000 0.490 390 I N 5.095 125.658 120.570 -0.012 0.000 2.133 390 I HA -0.202 3.968 4.170 -0.000 0.000 0.238 390 I C 2.122 178.180 176.117 -0.099 0.000 1.074 390 I CA 1.207 62.460 61.300 -0.079 0.000 1.342 390 I CB -0.400 37.445 38.000 -0.259 0.000 1.053 390 I HN 0.667 nan 8.210 nan 0.000 0.404 391 L N 0.541 121.702 121.223 -0.105 0.000 2.021 391 L HA -0.283 4.057 4.340 -0.000 0.000 0.215 391 L C 2.566 179.387 176.870 -0.082 0.000 1.074 391 L CA 1.701 56.480 54.840 -0.101 0.000 0.760 391 L CB -0.724 41.284 42.059 -0.084 0.000 0.889 391 L HN 0.305 nan 8.230 nan 0.000 0.433 392 E N -0.527 119.640 120.200 -0.055 0.000 2.077 392 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 392 E C 2.236 178.802 176.600 -0.057 0.000 0.989 392 E CA 1.433 57.807 56.400 -0.044 0.000 0.800 392 E CB -0.039 29.650 29.700 -0.019 0.000 0.746 392 E HN 0.320 nan 8.360 nan 0.000 0.452 393 V N 1.280 121.161 119.914 -0.055 0.000 2.453 393 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 393 V C 2.198 178.196 176.094 -0.160 0.000 1.048 393 V CA 1.249 63.499 62.300 -0.083 0.000 1.049 393 V CB -0.339 31.466 31.823 -0.031 0.000 0.672 393 V HN 0.274 nan 8.190 nan 0.000 0.457 394 I N -0.203 120.279 120.570 -0.147 0.000 2.286 394 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 394 I C 2.761 178.783 176.117 -0.158 0.000 1.115 394 I CA 1.644 62.839 61.300 -0.175 0.000 1.392 394 I CB -0.334 37.563 38.000 -0.171 0.000 1.065 394 I HN 0.224 nan 8.210 nan 0.000 0.418 395 R N 0.838 121.264 120.500 -0.123 0.000 2.073 395 R HA -0.105 4.235 4.340 -0.000 0.000 0.229 395 R C 2.399 178.638 176.300 -0.100 0.000 1.120 395 R CA 1.357 57.397 56.100 -0.100 0.000 0.967 395 R CB -0.153 30.101 30.300 -0.076 0.000 0.862 395 R HN 0.324 nan 8.270 nan 0.000 0.436 396 A N 0.548 123.304 122.820 -0.106 0.000 1.841 396 A HA -0.063 4.257 4.320 -0.000 0.000 0.214 396 A C 2.204 179.708 177.584 -0.134 0.000 1.195 396 A CA 1.728 53.709 52.037 -0.094 0.000 0.611 396 A CB -0.773 18.185 19.000 -0.070 0.000 0.835 396 A HN 0.483 nan 8.150 nan 0.000 0.443 397 A N -0.674 121.991 122.820 -0.260 0.000 2.178 397 A HA 0.229 4.549 4.320 -0.000 0.000 0.211 397 A C 1.145 178.575 177.584 -0.257 0.000 1.157 397 A CA 0.782 52.601 52.037 -0.363 0.000 0.780 397 A CB -0.443 17.927 19.000 -1.050 0.000 0.828 397 A HN 0.933 nan 8.150 nan 0.000 0.476 398 R N -1.137 119.235 120.500 -0.214 0.000 3.092 398 R HA -0.142 4.198 4.340 -0.000 0.000 0.245 398 R C -2.347 173.849 176.300 -0.173 0.000 0.881 398 R CA 0.522 56.524 56.100 -0.164 0.000 0.614 398 R CB -2.477 27.755 30.300 -0.114 0.000 1.128 398 R HN 0.388 nan 8.270 nan 0.000 0.483 399 P HA -0.037 nan 4.420 nan 0.000 0.270 399 P C 0.805 177.986 177.300 -0.200 0.000 1.221 399 P CA 0.667 63.648 63.100 -0.198 0.000 0.788 399 P CB 0.617 32.199 31.700 -0.196 0.000 0.904 400 G N -0.329 108.317 108.800 -0.257 0.000 2.662 400 G HA2 0.378 4.338 3.960 -0.000 0.000 0.212 400 G HA3 0.378 4.338 3.960 -0.000 0.000 0.212 400 G C 0.250 174.991 174.900 -0.265 0.000 1.141 400 G CA 0.549 45.494 45.100 -0.258 0.000 0.797 400 G HN 0.846 nan 8.290 nan 0.000 0.531 401 A N -0.382 122.254 122.820 -0.307 0.000 2.488 401 A HA 0.661 4.981 4.320 -0.000 0.000 0.298 401 A C -1.839 175.608 177.584 -0.228 0.000 1.044 401 A CA -0.560 51.328 52.037 -0.249 0.000 0.693 401 A CB 1.832 20.704 19.000 -0.213 0.000 1.272 401 A HN 0.448 nan 8.150 nan 0.000 0.402 402 L N 2.961 124.038 121.223 -0.243 0.000 2.305 402 L HA 0.774 5.114 4.340 -0.000 0.000 0.284 402 L C -1.240 175.541 176.870 -0.147 0.000 1.013 402 L CA -0.222 54.469 54.840 -0.249 0.000 0.819 402 L CB 0.783 42.603 42.059 -0.398 0.000 1.227 402 L HN 0.561 nan 8.230 nan 0.000 0.417 403 I N 4.781 125.274 120.570 -0.128 0.000 2.389 403 I HA 0.512 4.682 4.170 -0.000 0.000 0.288 403 I C 0.524 176.864 176.117 0.373 0.000 0.999 403 I CA -0.487 60.833 61.300 0.034 0.000 1.129 403 I CB 1.855 39.643 38.000 -0.354 0.000 1.288 403 I HN 0.759 nan 8.210 nan 0.000 0.444 404 G N 4.543 113.643 108.800 0.500 0.000 2.347 404 G HA2 0.619 4.579 3.960 -0.000 0.000 0.314 404 G HA3 0.619 4.579 3.960 -0.000 0.000 0.314 404 G C -0.211 174.816 174.900 0.211 0.000 1.126 404 G CA -0.342 44.971 45.100 0.355 0.000 0.929 404 G HN 0.762 nan 8.290 nan 0.000 0.441 405 A N 2.336 125.285 122.820 0.214 0.000 3.365 405 A HA 0.664 4.984 4.320 -0.000 0.000 0.258 405 A C 0.193 177.815 177.584 0.063 0.000 0.964 405 A CA -0.215 51.908 52.037 0.142 0.000 0.988 405 A CB 0.105 19.219 19.000 0.190 0.000 1.193 405 A HN 1.411 nan 8.150 nan 0.000 0.508 406 S N -1.402 114.312 115.700 0.023 0.000 2.548 406 S HA 0.470 4.940 4.470 -0.000 0.000 0.276 406 S C 0.837 175.426 174.600 -0.019 0.000 1.129 406 S CA 0.216 58.386 58.200 -0.049 0.000 0.931 406 S CB 1.123 64.202 63.200 -0.201 0.000 1.068 406 S HN 0.283 nan 8.310 nan 0.000 0.480 407 T N 1.500 116.041 114.554 -0.022 0.000 2.684 407 T HA -0.167 4.183 4.350 -0.000 0.000 0.267 407 T C 1.145 175.849 174.700 0.008 0.000 1.032 407 T CA 1.871 63.967 62.100 -0.006 0.000 1.155 407 T CB -1.168 67.694 68.868 -0.010 0.000 0.857 407 T HN 1.290 nan 8.240 nan 0.000 0.457 408 V N 1.981 121.910 119.914 0.025 0.000 2.555 408 V HA 0.044 4.164 4.120 -0.000 0.000 0.299 408 V C 0.578 176.694 176.094 0.037 0.000 1.012 408 V CA -0.585 61.751 62.300 0.060 0.000 1.180 408 V CB -0.840 31.074 31.823 0.152 0.000 0.887 408 V HN 0.342 nan 8.190 nan 0.000 0.476 409 R N 4.320 124.837 120.500 0.028 0.000 2.594 409 R HA 0.447 4.787 4.340 -0.000 0.000 0.272 409 R C 1.349 177.658 176.300 0.015 0.000 1.074 409 R CA 0.494 56.604 56.100 0.017 0.000 1.105 409 R CB 0.445 30.760 30.300 0.025 0.000 1.008 409 R HN 1.523 nan 8.270 nan 0.000 0.472 410 G N 2.244 111.043 108.800 -0.002 0.000 2.309 410 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.286 410 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.286 410 G C 0.798 175.713 174.900 0.025 0.000 1.002 410 G CA 0.809 45.915 45.100 0.011 0.000 0.786 410 G HN 0.848 nan 8.290 nan 0.000 0.511 411 A N -0.696 122.118 122.820 -0.010 0.000 2.178 411 A HA 0.297 4.617 4.320 -0.000 0.000 0.218 411 A C 1.086 178.750 177.584 0.134 0.000 1.157 411 A CA 0.686 52.744 52.037 0.035 0.000 0.689 411 A CB -0.147 18.945 19.000 0.153 0.000 0.787 411 A HN 0.697 nan 8.150 nan 0.000 0.465 412 F N 1.487 121.381 119.950 -0.093 0.000 2.344 412 F HA 0.156 4.683 4.527 -0.000 0.000 0.344 412 F C 0.428 176.196 175.800 -0.053 0.000 1.140 412 F CA -1.220 56.712 58.000 -0.114 0.000 1.256 412 F CB 0.159 39.121 39.000 -0.064 0.000 1.573 412 F HN 0.330 nan 8.300 nan 0.000 0.547 413 N N -0.078 118.687 118.700 0.109 0.000 2.354 413 N HA -0.059 4.680 4.740 -0.000 0.000 0.246 413 N C 1.070 176.607 175.510 0.045 0.000 1.285 413 N CA -0.315 52.776 53.050 0.067 0.000 0.925 413 N CB 0.520 39.013 38.487 0.010 0.000 1.174 413 N HN 0.509 nan 8.380 nan 0.000 0.478 414 E N -0.207 119.986 120.200 -0.010 0.000 2.108 414 E HA -0.373 3.977 4.350 -0.000 0.000 0.203 414 E C 1.052 177.522 176.600 -0.217 0.000 1.022 414 E CA 1.755 57.991 56.400 -0.273 0.000 0.823 414 E CB -0.075 29.180 29.700 -0.742 0.000 0.744 414 E HN 0.729 nan 8.360 nan 0.000 0.456 415 E N -0.189 119.911 120.200 -0.167 0.000 2.038 415 E HA -0.188 4.162 4.350 -0.000 0.000 0.195 415 E C 2.283 178.813 176.600 -0.117 0.000 1.000 415 E CA 1.574 57.892 56.400 -0.137 0.000 0.803 415 E CB -0.035 29.599 29.700 -0.111 0.000 0.750 415 E HN 0.193 nan 8.360 nan 0.000 0.448 416 V N 1.649 121.495 119.914 -0.113 0.000 2.392 416 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 416 V C 2.233 178.234 176.094 -0.156 0.000 1.059 416 V CA 1.567 63.772 62.300 -0.157 0.000 1.051 416 V CB -0.457 31.244 31.823 -0.203 0.000 0.658 416 V HN 0.280 nan 8.190 nan 0.000 0.455 417 I N -0.990 119.530 120.570 -0.084 0.000 2.353 417 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 417 I C 2.775 178.866 176.117 -0.043 0.000 1.119 417 I CA 0.934 62.208 61.300 -0.043 0.000 1.417 417 I CB -0.428 37.625 38.000 0.089 0.000 1.078 417 I HN 0.203 nan 8.210 nan 0.000 0.421 418 R N 1.127 121.592 120.500 -0.059 0.000 2.073 418 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 418 R C 2.375 178.630 176.300 -0.074 0.000 1.134 418 R CA 1.646 57.706 56.100 -0.067 0.000 0.952 418 R CB -0.965 29.272 30.300 -0.106 0.000 0.850 418 R HN 0.364 nan 8.270 nan 0.000 0.433 419 A N 1.316 124.080 122.820 -0.095 0.000 1.865 419 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 419 A C 2.244 179.767 177.584 -0.102 0.000 1.191 419 A CA 1.630 53.607 52.037 -0.099 0.000 0.623 419 A CB -0.397 18.533 19.000 -0.117 0.000 0.826 419 A HN 0.108 nan 8.150 nan 0.000 0.444 420 M N -0.329 119.199 119.600 -0.119 0.000 2.144 420 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 420 M C 2.442 178.691 176.300 -0.084 0.000 1.067 420 M CA 1.688 56.916 55.300 -0.121 0.000 1.095 420 M CB -1.587 30.926 32.600 -0.145 0.000 1.365 420 M HN 0.519 nan 8.290 nan 0.000 0.406 421 A N -0.200 122.584 122.820 -0.060 0.000 1.897 421 A HA -0.146 4.174 4.320 -0.000 0.000 0.215 421 A C 2.076 179.637 177.584 -0.039 0.000 1.181 421 A CA 1.504 53.519 52.037 -0.037 0.000 0.620 421 A CB -0.592 18.399 19.000 -0.016 0.000 0.821 421 A HN 0.551 nan 8.150 nan 0.000 0.443 422 E N -0.121 120.051 120.200 -0.048 0.000 2.058 422 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 422 E C 1.731 178.301 176.600 -0.049 0.000 0.997 422 E CA 1.546 57.919 56.400 -0.046 0.000 0.801 422 E CB -0.315 29.354 29.700 -0.053 0.000 0.746 422 E HN 0.712 nan 8.360 nan 0.000 0.450 423 I N 0.797 121.329 120.570 -0.063 0.000 2.928 423 I HA -0.082 4.088 4.170 -0.000 0.000 0.266 423 I C 0.282 176.361 176.117 -0.064 0.000 1.234 423 I CA 0.388 61.648 61.300 -0.067 0.000 1.483 423 I CB -0.140 37.808 38.000 -0.086 0.000 1.097 423 I HN 0.006 nan 8.210 nan 0.000 0.455 424 N N 0.586 119.250 118.700 -0.059 0.000 2.260 424 N HA 0.172 4.912 4.740 -0.000 0.000 0.293 424 N C 0.073 175.562 175.510 -0.034 0.000 1.058 424 N CA -0.378 52.641 53.050 -0.053 0.000 0.824 424 N CB 1.839 40.285 38.487 -0.069 0.000 1.551 424 N HN 0.035 nan 8.380 nan 0.000 0.475 425 E N 0.760 120.946 120.200 -0.024 0.000 2.085 425 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 425 E C -0.112 176.489 176.600 0.002 0.000 0.994 425 E CA 1.048 57.442 56.400 -0.010 0.000 0.801 425 E CB 0.244 29.940 29.700 -0.007 0.000 0.743 425 E HN 0.230 nan 8.360 nan 0.000 0.453 426 R N 0.928 121.428 120.500 0.001 0.000 2.472 426 R HA 0.276 4.616 4.340 -0.000 0.000 0.294 426 R C -2.633 173.669 176.300 0.003 0.000 1.243 426 R CA -2.018 54.095 56.100 0.021 0.000 1.023 426 R CB 1.210 31.532 30.300 0.037 0.000 1.157 426 R HN 0.083 nan 8.270 nan 0.000 0.530 427 P HA 0.326 nan 4.420 nan 0.000 0.286 427 P C -0.083 177.210 177.300 -0.012 0.000 1.269 427 P CA -0.387 62.692 63.100 -0.034 0.000 0.787 427 P CB 1.254 32.925 31.700 -0.049 0.000 0.920 428 I N 4.657 125.189 120.570 -0.062 0.000 2.352 428 I HA 0.311 4.481 4.170 -0.000 0.000 0.290 428 I C 0.510 176.572 176.117 -0.092 0.000 1.036 428 I CA -0.292 60.963 61.300 -0.074 0.000 1.336 428 I CB 0.286 38.163 38.000 -0.204 0.000 1.407 428 I HN 0.146 nan 8.210 nan 0.000 0.497 429 I N 6.803 127.429 120.570 0.094 0.000 2.468 429 I HA 0.331 4.501 4.170 -0.000 0.000 0.284 429 I C -1.058 175.368 176.117 0.514 0.000 1.038 429 I CA -0.431 60.986 61.300 0.195 0.000 1.083 429 I CB 1.416 39.530 38.000 0.189 0.000 1.223 429 I HN 0.295 nan 8.210 nan 0.000 0.443 430 F N 4.521 124.537 119.950 0.111 0.000 2.426 430 F HA 0.565 5.092 4.527 -0.000 0.000 0.348 430 F C 0.532 176.406 175.800 0.123 0.000 1.124 430 F CA -1.665 56.341 58.000 0.010 0.000 1.008 430 F CB 1.937 40.955 39.000 0.030 0.000 1.139 430 F HN 0.416 nan 8.300 nan 0.000 0.452 431 A N 4.749 127.657 122.820 0.147 0.000 2.690 431 A HA 0.517 4.837 4.320 -0.000 0.000 0.342 431 A C 0.468 178.105 177.584 0.088 0.000 1.410 431 A CA -0.242 51.886 52.037 0.153 0.000 0.958 431 A CB -0.168 18.991 19.000 0.266 0.000 1.153 431 A HN 0.615 nan 8.150 nan 0.000 0.497 432 L N 1.112 122.396 121.223 0.101 0.000 2.209 432 L HA 0.063 4.403 4.340 -0.000 0.000 0.207 432 L C 1.512 178.422 176.870 0.067 0.000 1.094 432 L CA 0.981 55.869 54.840 0.081 0.000 0.790 432 L CB -0.892 41.242 42.059 0.125 0.000 0.932 432 L HN 0.510 nan 8.230 nan 0.000 0.447 433 S N 1.234 116.969 115.700 0.057 0.000 2.642 433 S HA -0.015 4.455 4.470 -0.000 0.000 0.308 433 S C 0.385 175.008 174.600 0.038 0.000 1.255 433 S CA 0.130 58.354 58.200 0.039 0.000 1.057 433 S CB -0.195 63.017 63.200 0.020 0.000 0.785 433 S HN 0.294 nan 8.310 nan 0.000 0.500 434 N N 3.260 121.971 118.700 0.018 0.000 2.319 434 N HA 0.500 5.240 4.740 -0.000 0.000 0.305 434 N C -2.564 172.937 175.510 -0.015 0.000 1.103 434 N CA -1.389 51.658 53.050 -0.004 0.000 0.815 434 N CB 1.381 39.862 38.487 -0.011 0.000 1.288 434 N HN 0.257 nan 8.380 nan 0.000 0.493 435 P HA 0.180 nan 4.420 nan 0.000 0.318 435 P C 1.094 178.360 177.300 -0.057 0.000 1.309 435 P CA 0.058 63.122 63.100 -0.060 0.000 0.736 435 P CB 0.137 31.794 31.700 -0.072 0.000 1.440 436 T N -3.523 110.944 114.554 -0.144 0.000 2.849 436 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 436 T C 1.579 176.303 174.700 0.041 0.000 1.066 436 T CA 1.657 63.658 62.100 -0.165 0.000 1.130 436 T CB -1.453 67.079 68.868 -0.558 0.000 0.864 436 T HN 0.392 nan 8.240 nan 0.000 0.481 437 S N 0.736 116.436 115.700 -0.000 0.000 2.603 437 S HA 0.125 4.595 4.470 -0.000 0.000 0.229 437 S C 1.506 176.126 174.600 0.033 0.000 0.972 437 S CA -0.134 58.081 58.200 0.026 0.000 0.935 437 S CB -0.171 63.029 63.200 0.000 0.000 0.769 437 S HN 0.405 nan 8.310 nan 0.000 0.536 438 K N 0.924 121.346 120.400 0.037 0.000 2.402 438 K HA 0.441 4.761 4.320 -0.000 0.000 0.204 438 K C 0.500 177.125 176.600 0.042 0.000 1.056 438 K CA 0.311 56.615 56.287 0.029 0.000 1.069 438 K CB 0.372 32.880 32.500 0.013 0.000 0.888 438 K HN 0.406 nan 8.250 nan 0.000 0.546 439 A N 1.710 124.588 122.820 0.097 0.000 2.546 439 A HA 0.021 4.341 4.320 -0.000 0.000 0.243 439 A C 0.845 178.433 177.584 0.007 0.000 1.063 439 A CA 0.078 52.189 52.037 0.123 0.000 0.757 439 A CB 0.210 19.424 19.000 0.357 0.000 0.991 439 A HN 0.150 nan 8.150 nan 0.000 0.503 440 E N 0.022 120.141 120.200 -0.134 0.000 2.267 440 E HA -0.035 4.315 4.350 -0.000 0.000 0.197 440 E C 0.586 177.069 176.600 -0.194 0.000 0.998 440 E CA 1.618 57.784 56.400 -0.391 0.000 0.830 440 E CB -0.404 28.545 29.700 -1.252 0.000 0.751 440 E HN 0.971 nan 8.360 nan 0.000 0.491 441 C N -3.174 116.092 119.300 -0.057 0.000 3.197 441 C HA 0.542 5.002 4.460 -0.000 0.000 0.343 441 C C -0.042 174.809 174.990 -0.232 0.000 1.291 441 C CA -0.617 58.361 59.018 -0.065 0.000 1.191 441 C CB 0.831 28.592 27.740 0.034 0.000 1.444 441 C HN 0.228 nan 8.230 nan 0.000 0.468 442 T N -0.122 114.139 114.554 -0.489 0.000 2.923 442 T HA 0.711 5.061 4.350 -0.000 0.000 0.281 442 T C 1.254 175.151 174.700 -1.337 0.000 0.995 442 T CA 0.226 61.718 62.100 -1.013 0.000 0.985 442 T CB 1.344 69.772 68.868 -0.734 0.000 1.114 442 T HN 2.241 nan 8.240 nan 0.000 0.548 443 A N 0.218 122.134 122.820 -1.507 0.000 1.858 443 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 443 A C 2.256 179.213 177.584 -1.045 0.000 1.190 443 A CA 1.752 52.976 52.037 -1.355 0.000 0.617 443 A CB -1.257 17.445 19.000 -0.497 0.000 0.827 443 A HN 0.989 nan 8.150 nan 0.000 0.443 444 E N -0.356 119.332 120.200 -0.852 0.000 2.049 444 E HA -0.249 4.101 4.350 -0.000 0.000 0.198 444 E C 2.073 178.034 176.600 -1.065 0.000 1.007 444 E CA 1.689 57.408 56.400 -1.135 0.000 0.809 444 E CB -0.199 28.990 29.700 -0.853 0.000 0.749 444 E HN 0.744 nan 8.360 nan 0.000 0.450 445 E N 0.171 119.813 120.200 -0.930 0.000 2.058 445 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 445 E C 2.070 178.119 176.600 -0.919 0.000 0.997 445 E CA 0.978 56.749 56.400 -1.049 0.000 0.801 445 E CB -0.154 29.144 29.700 -0.669 0.000 0.746 445 E HN 0.248 nan 8.360 nan 0.000 0.450 446 A N 0.448 122.784 122.820 -0.807 0.000 1.933 446 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 446 A C 1.857 179.147 177.584 -0.491 0.000 1.175 446 A CA 1.256 52.914 52.037 -0.631 0.000 0.628 446 A CB -0.732 17.735 19.000 -0.888 0.000 0.814 446 A HN 0.310 nan 8.150 nan 0.000 0.444 447 Y N -0.333 119.673 120.300 -0.491 0.000 2.153 447 Y HA -0.139 4.411 4.550 -0.000 0.000 0.289 447 Y C 3.082 178.835 175.900 -0.244 0.000 1.119 447 Y CA 1.234 59.108 58.100 -0.376 0.000 1.116 447 Y CB -0.603 37.622 38.460 -0.391 0.000 1.004 447 Y HN 0.244 nan 8.280 nan 0.000 0.501 448 T N 0.664 115.127 114.554 -0.152 0.000 2.635 448 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 448 T C 1.278 176.044 174.700 0.109 0.000 1.040 448 T CA 1.545 63.617 62.100 -0.047 0.000 1.156 448 T CB -0.800 67.915 68.868 -0.255 0.000 0.863 448 T HN 0.276 nan 8.240 nan 0.000 0.430 449 F N 1.811 121.713 119.950 -0.080 0.000 2.772 449 F HA 0.058 4.585 4.527 -0.000 0.000 0.302 449 F C 1.767 177.533 175.800 -0.058 0.000 1.225 449 F CA 0.056 58.013 58.000 -0.071 0.000 1.429 449 F CB -0.443 38.498 39.000 -0.098 0.000 1.104 449 F HN 0.290 nan 8.300 nan 0.000 0.550 450 T N -5.162 109.463 114.554 0.118 0.000 3.262 450 T HA 0.086 4.436 4.350 -0.000 0.000 0.300 450 T C 0.426 175.162 174.700 0.060 0.000 0.959 450 T CA -0.389 61.751 62.100 0.066 0.000 0.936 450 T CB -0.257 68.636 68.868 0.042 0.000 1.169 450 T HN 0.161 nan 8.240 nan 0.000 0.532 451 N N 1.603 120.348 118.700 0.075 0.000 2.713 451 N HA -0.213 4.527 4.740 -0.000 0.000 0.251 451 N C 1.136 176.669 175.510 0.039 0.000 1.117 451 N CA 1.437 54.524 53.050 0.062 0.000 0.770 451 N CB -1.712 36.802 38.487 0.044 0.000 1.137 451 N HN 1.281 nan 8.380 nan 0.000 0.566 452 G N -1.783 107.029 108.800 0.021 0.000 2.132 452 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.234 452 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.234 452 G C 0.791 175.729 174.900 0.065 0.000 0.989 452 G CA 0.845 45.896 45.100 -0.080 0.000 0.676 452 G HN 0.972 nan 8.290 nan 0.000 0.522 453 A N -0.590 122.283 122.820 0.088 0.000 2.169 453 A HA 0.799 5.119 4.320 -0.000 0.000 0.210 453 A C 1.735 179.405 177.584 0.143 0.000 1.168 453 A CA 1.605 53.707 52.037 0.109 0.000 0.813 453 A CB -0.093 18.943 19.000 0.060 0.000 0.861 453 A HN 2.105 nan 8.150 nan 0.000 0.481 454 A N -0.203 122.708 122.820 0.151 0.000 2.448 454 A HA 0.512 4.832 4.320 -0.000 0.000 0.239 454 A C -0.126 177.610 177.584 0.254 0.000 1.080 454 A CA 0.142 52.266 52.037 0.146 0.000 0.779 454 A CB -0.105 18.931 19.000 0.061 0.000 1.026 454 A HN 0.437 nan 8.150 nan 0.000 0.499 455 L N 2.025 123.382 121.223 0.224 0.000 2.301 455 L HA 0.322 4.662 4.340 -0.000 0.000 0.278 455 L C -0.831 176.257 176.870 0.363 0.000 1.022 455 L CA -0.267 54.749 54.840 0.294 0.000 0.854 455 L CB 0.484 42.678 42.059 0.225 0.000 1.226 455 L HN 0.777 nan 8.230 nan 0.000 0.429 456 Y N 3.250 123.654 120.300 0.172 0.000 2.387 456 Y HA 0.766 5.316 4.550 -0.000 0.000 0.336 456 Y C -0.349 175.592 175.900 0.068 0.000 1.067 456 Y CA -0.716 57.430 58.100 0.077 0.000 1.114 456 Y CB 1.780 40.060 38.460 -0.300 0.000 1.208 456 Y HN 0.535 nan 8.280 nan 0.000 0.458 457 A N 3.510 125.828 122.820 -0.837 0.000 2.520 457 A HA 0.729 5.049 4.320 -0.000 0.000 0.298 457 A C -1.265 175.704 177.584 -1.026 0.000 1.051 457 A CA -0.206 51.314 52.037 -0.861 0.000 0.690 457 A CB 1.034 19.333 19.000 -1.168 0.000 1.281 457 A HN 0.929 nan 8.150 nan 0.000 0.402 458 S N 0.202 115.562 115.700 -0.565 0.000 2.704 458 S HA 0.754 5.224 4.470 -0.000 0.000 0.296 458 S C 0.840 175.379 174.600 -0.101 0.000 1.138 458 S CA -0.064 57.994 58.200 -0.236 0.000 0.875 458 S CB 1.395 64.707 63.200 0.187 0.000 1.151 458 S HN 1.650 nan 8.310 nan 0.000 0.500 459 G N 0.186 108.982 108.800 -0.007 0.000 2.453 459 G HA2 0.290 4.250 3.960 -0.000 0.000 0.215 459 G HA3 0.290 4.250 3.960 -0.000 0.000 0.215 459 G C 0.215 175.103 174.900 -0.020 0.000 1.147 459 G CA 0.081 45.172 45.100 -0.015 0.000 0.802 459 G HN 0.684 nan 8.290 nan 0.000 0.535 460 S N 0.575 116.262 115.700 -0.022 0.000 2.621 460 S HA 0.565 5.035 4.470 -0.000 0.000 0.302 460 S C -2.912 171.594 174.600 -0.157 0.000 1.093 460 S CA -1.040 57.088 58.200 -0.119 0.000 1.017 460 S CB 2.266 65.337 63.200 -0.215 0.000 1.077 460 S HN -0.099 nan 8.310 nan 0.000 0.517 461 P HA 0.355 nan 4.420 nan 0.000 0.276 461 P C -1.186 175.982 177.300 -0.220 0.000 1.243 461 P CA 0.094 63.142 63.100 -0.088 0.000 0.768 461 P CB 0.113 31.786 31.700 -0.045 0.000 0.856 462 F N 3.871 123.881 119.950 0.099 0.000 2.538 462 F HA 0.493 5.020 4.527 -0.000 0.000 0.325 462 F C -1.692 174.179 175.800 0.117 0.000 1.066 462 F CA -2.201 55.860 58.000 0.103 0.000 0.946 462 F CB 0.932 40.010 39.000 0.130 0.000 1.199 462 F HN 0.210 nan 8.300 nan 0.000 0.473 463 P HA 0.108 nan 4.420 nan 0.000 0.272 463 P C -1.115 176.353 177.300 0.279 0.000 1.223 463 P CA -0.428 62.813 63.100 0.234 0.000 0.784 463 P CB 0.438 32.254 31.700 0.192 0.000 0.923 464 N N 1.370 120.216 118.700 0.242 0.000 2.497 464 N HA 0.131 4.871 4.740 -0.000 0.000 0.268 464 N C -0.556 175.146 175.510 0.319 0.000 1.171 464 N CA 0.136 53.349 53.050 0.273 0.000 0.948 464 N CB -0.036 38.564 38.487 0.189 0.000 1.069 464 N HN 0.324 nan 8.380 nan 0.000 0.460 465 F N 1.072 121.137 119.950 0.191 0.000 2.440 465 F HA 0.359 4.886 4.527 -0.000 0.000 0.328 465 F C -0.053 175.840 175.800 0.156 0.000 1.070 465 F CA -0.968 57.122 58.000 0.150 0.000 1.011 465 F CB 1.145 40.247 39.000 0.170 0.000 1.226 465 F HN 0.361 nan 8.300 nan 0.000 0.491 466 E N 4.634 124.323 120.200 -0.851 0.000 2.241 466 E HA 0.451 4.801 4.350 -0.000 0.000 0.263 466 E C -1.884 174.161 176.600 -0.924 0.000 0.882 466 E CA -0.848 55.197 56.400 -0.592 0.000 0.769 466 E CB 2.473 31.997 29.700 -0.294 0.000 1.185 466 E HN 0.437 nan 8.360 nan 0.000 0.415 467 L N 3.993 124.978 121.223 -0.396 0.000 2.404 467 L HA 0.417 4.757 4.340 -0.000 0.000 0.272 467 L C -0.718 176.204 176.870 0.087 0.000 0.980 467 L CA -0.251 54.478 54.840 -0.186 0.000 0.836 467 L CB 0.947 42.997 42.059 -0.015 0.000 1.238 467 L HN 0.489 nan 8.230 nan 0.000 0.408 468 N N 4.036 122.772 118.700 0.061 0.000 2.754 468 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 468 N C 0.923 176.537 175.510 0.173 0.000 1.093 468 N CA 1.261 54.391 53.050 0.134 0.000 0.699 468 N CB -1.430 37.160 38.487 0.172 0.000 1.016 468 N HN 1.267 nan 8.380 nan 0.000 0.552 469 G N -1.636 107.178 108.800 0.022 0.000 2.225 469 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.254 469 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.254 469 G C -0.165 174.585 174.900 -0.250 0.000 0.988 469 G CA 0.712 45.739 45.100 -0.122 0.000 0.625 469 G HN 0.728 nan 8.290 nan 0.000 0.527 470 H N 0.835 119.840 119.070 -0.109 0.000 2.458 470 H HA 0.652 5.208 4.556 -0.000 0.000 0.330 470 H C 0.248 175.392 175.328 -0.307 0.000 1.111 470 H CA 0.362 56.279 56.048 -0.217 0.000 1.245 470 H CB 1.401 31.020 29.762 -0.238 0.000 1.456 470 H HN 0.136 nan 8.280 nan 0.000 0.488 471 T N 3.007 117.385 114.554 -0.293 0.000 2.867 471 T HA 0.379 4.729 4.350 -0.000 0.000 0.282 471 T C -0.799 173.623 174.700 -0.464 0.000 1.000 471 T CA -0.550 61.398 62.100 -0.253 0.000 1.042 471 T CB 0.325 69.107 68.868 -0.143 0.000 0.973 471 T HN 0.366 nan 8.240 nan 0.000 0.465 472 Y N 1.055 121.273 120.300 -0.138 0.000 2.425 472 Y HA 0.463 5.013 4.550 -0.000 0.000 0.344 472 Y C 0.433 176.374 175.900 0.068 0.000 0.969 472 Y CA -1.122 56.892 58.100 -0.144 0.000 1.052 472 Y CB 1.744 39.818 38.460 -0.643 0.000 1.215 472 Y HN 0.417 nan 8.280 nan 0.000 0.451 473 K N 4.765 125.322 120.400 0.262 0.000 2.562 473 K HA 0.280 4.600 4.320 -0.000 0.000 0.206 473 K C -2.837 173.966 176.600 0.339 0.000 1.033 473 K CA -1.922 54.527 56.287 0.269 0.000 1.029 473 K CB 0.880 33.482 32.500 0.169 0.000 1.393 473 K HN 0.327 nan 8.250 nan 0.000 0.539 474 P HA -0.080 nan 4.420 nan 0.000 0.265 474 P C 0.098 177.585 177.300 0.311 0.000 1.187 474 P CA 0.237 63.612 63.100 0.459 0.000 0.766 474 P CB 1.033 33.069 31.700 0.559 0.000 0.820 475 G N 2.168 111.113 108.800 0.241 0.000 2.568 475 G HA2 0.501 4.461 3.960 -0.000 0.000 0.293 475 G HA3 0.501 4.461 3.960 -0.000 0.000 0.293 475 G C -1.085 173.856 174.900 0.067 0.000 1.347 475 G CA -0.576 44.642 45.100 0.197 0.000 1.039 475 G HN 0.522 nan 8.290 nan 0.000 0.523 476 Q N -1.567 118.209 119.800 -0.040 0.000 2.331 476 Q HA 0.495 4.835 4.340 -0.000 0.000 0.272 476 Q C 0.034 175.718 176.000 -0.526 0.000 1.062 476 Q CA -0.667 55.033 55.803 -0.172 0.000 0.806 476 Q CB 2.361 31.074 28.738 -0.041 0.000 1.312 476 Q HN 0.655 nan 8.270 nan 0.000 0.431 477 G N 2.220 110.716 108.800 -0.507 0.000 3.316 477 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.255 477 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.255 477 G C -0.190 174.588 174.900 -0.204 0.000 0.880 477 G CA -0.244 44.497 45.100 -0.598 0.000 1.956 477 G HN 0.372 nan 8.290 nan 0.000 0.634 478 N N 0.852 119.496 118.700 -0.092 0.000 2.452 478 N HA 0.011 4.751 4.740 -0.000 0.000 0.266 478 N C 1.117 176.705 175.510 0.129 0.000 1.175 478 N CA -0.346 52.725 53.050 0.036 0.000 0.945 478 N CB 0.687 39.136 38.487 -0.062 0.000 1.063 478 N HN 0.101 nan 8.380 nan 0.000 0.472 479 N N 2.892 121.704 118.700 0.186 0.000 2.192 479 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 479 N C 1.357 176.927 175.510 0.101 0.000 1.013 479 N CA 1.262 54.485 53.050 0.289 0.000 0.863 479 N CB -0.269 38.500 38.487 0.470 0.000 0.990 479 N HN 0.682 nan 8.380 nan 0.000 0.430 480 A N -0.527 122.252 122.820 -0.068 0.000 2.194 480 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 480 A C 1.532 178.750 177.584 -0.608 0.000 1.162 480 A CA 1.002 52.662 52.037 -0.628 0.000 0.674 480 A CB -0.876 17.938 19.000 -0.310 0.000 0.789 480 A HN 0.446 nan 8.150 nan 0.000 0.470 481 Y N -1.294 118.865 120.300 -0.236 0.000 2.475 481 Y HA -0.007 4.543 4.550 -0.000 0.000 0.289 481 Y C 1.968 177.788 175.900 -0.132 0.000 1.121 481 Y CA 0.467 58.486 58.100 -0.133 0.000 1.257 481 Y CB 0.235 38.688 38.460 -0.012 0.000 1.026 481 Y HN 0.249 nan 8.280 nan 0.000 0.555 482 I N -1.653 118.909 120.570 -0.013 0.000 3.393 482 I HA -0.109 4.061 4.170 -0.000 0.000 0.250 482 I C 2.173 178.278 176.117 -0.019 0.000 1.122 482 I CA 0.563 61.886 61.300 0.038 0.000 1.484 482 I CB -1.520 36.594 38.000 0.191 0.000 1.468 482 I HN 0.161 nan 8.210 nan 0.000 0.461 483 F N 2.341 122.376 119.950 0.142 0.000 2.154 483 F HA -0.058 4.468 4.527 -0.000 0.000 0.301 483 F C -0.754 175.000 175.800 -0.078 0.000 1.087 483 F CA 1.054 59.136 58.000 0.136 0.000 1.274 483 F CB -2.895 36.315 39.000 0.350 0.000 1.009 483 F HN 0.086 nan 8.300 nan 0.000 0.485 484 P HA -0.065 nan 4.420 nan 0.000 0.214 484 P C 2.139 179.351 177.300 -0.146 0.000 1.163 484 P CA 2.493 65.457 63.100 -0.228 0.000 0.883 484 P CB -0.505 31.015 31.700 -0.298 0.000 0.788 485 G N -0.435 108.293 108.800 -0.120 0.000 2.418 485 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 485 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 485 G C 1.643 176.498 174.900 -0.076 0.000 1.158 485 G CA 0.764 45.823 45.100 -0.067 0.000 0.771 485 G HN 0.149 nan 8.290 nan 0.000 0.545 486 V N 1.441 121.284 119.914 -0.119 0.000 2.407 486 V HA -0.127 3.993 4.120 -0.000 0.000 0.248 486 V C 3.266 179.275 176.094 -0.141 0.000 1.055 486 V CA 1.978 64.148 62.300 -0.216 0.000 1.049 486 V CB -0.702 30.871 31.823 -0.417 0.000 0.662 486 V HN 0.491 nan 8.190 nan 0.000 0.455 487 A N -0.289 122.486 122.820 -0.075 0.000 1.872 487 A HA -0.144 4.175 4.320 -0.000 0.000 0.214 487 A C 2.138 179.734 177.584 0.020 0.000 1.187 487 A CA 1.836 53.865 52.037 -0.013 0.000 0.614 487 A CB -0.550 18.260 19.000 -0.317 0.000 0.826 487 A HN 0.423 nan 8.150 nan 0.000 0.442 488 L N 0.222 121.446 121.223 0.002 0.000 1.970 488 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 488 L C 2.482 179.406 176.870 0.090 0.000 1.071 488 L CA 2.572 57.451 54.840 0.065 0.000 0.751 488 L CB -1.125 40.964 42.059 0.051 0.000 0.889 488 L HN 0.321 nan 8.230 nan 0.000 0.432 489 G N -2.340 106.522 108.800 0.104 0.000 2.442 489 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 489 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 489 G C 1.450 176.472 174.900 0.202 0.000 1.141 489 G CA 1.224 46.459 45.100 0.224 0.000 0.763 489 G HN 0.454 nan 8.290 nan 0.000 0.554 490 T N 1.052 115.649 114.554 0.070 0.000 2.833 490 T HA -0.008 4.342 4.350 -0.000 0.000 0.269 490 T C 2.349 177.072 174.700 0.039 0.000 1.054 490 T CA 0.899 63.026 62.100 0.045 0.000 1.135 490 T CB -0.072 68.811 68.868 0.025 0.000 0.869 490 T HN 0.276 nan 8.240 nan 0.000 0.466 491 I N 0.438 121.019 120.570 0.019 0.000 2.235 491 I HA -0.030 4.140 4.170 -0.000 0.000 0.241 491 I C 2.185 178.203 176.117 -0.164 0.000 1.085 491 I CA 0.937 62.190 61.300 -0.079 0.000 1.378 491 I CB -0.317 37.638 38.000 -0.074 0.000 1.076 491 I HN 0.147 nan 8.210 nan 0.000 0.415 492 L N -0.241 120.886 121.223 -0.161 0.000 2.079 492 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 492 L C 1.884 178.465 176.870 -0.482 0.000 1.081 492 L CA 1.591 56.227 54.840 -0.339 0.000 0.752 492 L CB -0.492 41.285 42.059 -0.471 0.000 0.896 492 L HN 0.204 nan 8.230 nan 0.000 0.433 493 F N -0.940 119.044 119.950 0.056 0.000 2.695 493 F HA 0.143 4.670 4.527 -0.000 0.000 0.303 493 F C 0.696 176.463 175.800 -0.055 0.000 1.091 493 F CA -0.396 57.610 58.000 0.010 0.000 1.300 493 F CB -0.150 38.811 39.000 -0.065 0.000 1.071 493 F HN 0.014 nan 8.300 nan 0.000 0.578 494 Q N 1.074 120.890 119.800 0.026 0.000 2.452 494 Q HA -0.211 4.129 4.340 -0.000 0.000 0.318 494 Q C -0.301 175.692 176.000 -0.012 0.000 1.386 494 Q CA 0.198 55.995 55.803 -0.010 0.000 0.872 494 Q CB -1.908 26.821 28.738 -0.015 0.000 1.151 494 Q HN 0.475 nan 8.270 nan 0.000 0.417 495 I N 0.641 121.209 120.570 -0.003 0.000 2.598 495 I HA -0.070 4.100 4.170 -0.000 0.000 0.284 495 I C 1.830 177.901 176.117 -0.076 0.000 1.140 495 I CA 0.222 61.502 61.300 -0.035 0.000 1.420 495 I CB 0.504 38.491 38.000 -0.022 0.000 1.387 495 I HN 0.306 nan 8.210 nan 0.000 0.553 496 R N 4.391 124.817 120.500 -0.123 0.000 2.096 496 R HA -0.015 4.325 4.340 -0.000 0.000 0.235 496 R C 0.031 175.975 176.300 -0.593 0.000 1.127 496 R CA 1.011 56.919 56.100 -0.320 0.000 0.968 496 R CB -0.143 29.990 30.300 -0.279 0.000 0.861 496 R HN 0.595 nan 8.270 nan 0.000 0.440 497 H N -1.166 117.923 119.070 0.031 0.000 3.038 497 H HA 0.232 4.788 4.556 -0.000 0.000 0.362 497 H C -1.229 174.110 175.328 0.020 0.000 1.167 497 H CA -0.813 55.262 56.048 0.045 0.000 1.197 497 H CB 2.042 31.828 29.762 0.041 0.000 1.840 497 H HN -0.215 nan 8.280 nan 0.000 0.540 498 V N 3.571 123.576 119.914 0.152 0.000 2.364 498 V HA 0.139 4.258 4.120 -0.000 0.000 0.272 498 V C 0.065 176.201 176.094 0.069 0.000 1.036 498 V CA -0.579 61.716 62.300 -0.008 0.000 0.880 498 V CB 0.669 32.418 31.823 -0.124 0.000 0.991 498 V HN 0.721 nan 8.190 nan 0.000 0.460 499 D N 3.045 123.458 120.400 0.022 0.000 2.442 499 D HA 0.320 4.960 4.640 -0.000 0.000 0.254 499 D C 0.820 177.185 176.300 0.110 0.000 1.069 499 D CA -0.937 53.113 54.000 0.084 0.000 1.017 499 D CB 0.572 41.414 40.800 0.070 0.000 1.172 499 D HN 0.098 nan 8.370 nan 0.000 0.561 500 N N 0.299 119.036 118.700 0.062 0.000 2.094 500 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 500 N C 0.749 176.197 175.510 -0.104 0.000 1.023 500 N CA 1.459 54.494 53.050 -0.025 0.000 0.857 500 N CB -0.463 37.779 38.487 -0.408 0.000 1.013 500 N HN 0.543 nan 8.380 nan 0.000 0.426 501 D N 1.087 121.403 120.400 -0.141 0.000 2.116 501 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 501 D C 2.108 178.266 176.300 -0.236 0.000 0.998 501 D CA 0.792 54.736 54.000 -0.092 0.000 0.836 501 D CB -0.367 40.462 40.800 0.049 0.000 0.951 501 D HN 0.226 nan 8.370 nan 0.000 0.449 502 L N -0.615 120.452 121.223 -0.260 0.000 2.046 502 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 502 L C 2.164 178.829 176.870 -0.341 0.000 1.077 502 L CA 0.942 55.555 54.840 -0.378 0.000 0.747 502 L CB -0.452 41.362 42.059 -0.408 0.000 0.896 502 L HN 0.054 nan 8.230 nan 0.000 0.432 503 F N -0.717 119.129 119.950 -0.173 0.000 2.171 503 F HA -0.251 4.276 4.527 -0.000 0.000 0.300 503 F C 2.302 178.041 175.800 -0.101 0.000 1.090 503 F CA 0.841 58.760 58.000 -0.136 0.000 1.293 503 F CB -0.282 38.649 39.000 -0.115 0.000 1.013 503 F HN -0.018 nan 8.300 nan 0.000 0.486 504 L N -0.061 121.200 121.223 0.063 0.000 2.017 504 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 504 L C 2.318 179.174 176.870 -0.022 0.000 1.073 504 L CA 1.376 56.235 54.840 0.032 0.000 0.745 504 L CB -0.993 41.088 42.059 0.036 0.000 0.894 504 L HN 0.184 nan 8.230 nan 0.000 0.432 505 L N -1.062 120.091 121.223 -0.117 0.000 2.042 505 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 505 L C 2.428 179.247 176.870 -0.085 0.000 1.076 505 L CA 1.701 56.452 54.840 -0.149 0.000 0.749 505 L CB -0.366 41.514 42.059 -0.297 0.000 0.893 505 L HN 0.275 nan 8.230 nan 0.000 0.432 506 A N -0.064 122.709 122.820 -0.078 0.000 1.877 506 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 506 A C 2.484 180.079 177.584 0.018 0.000 1.186 506 A CA 1.739 53.755 52.037 -0.035 0.000 0.620 506 A CB -1.084 17.895 19.000 -0.035 0.000 0.822 506 A HN 0.614 nan 8.150 nan 0.000 0.443 507 A N 0.123 122.971 122.820 0.047 0.000 1.865 507 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 507 A C 2.089 179.690 177.584 0.029 0.000 1.191 507 A CA 2.033 54.107 52.037 0.061 0.000 0.623 507 A CB -0.579 18.469 19.000 0.080 0.000 0.826 507 A HN 0.564 nan 8.150 nan 0.000 0.444 508 K N -0.611 119.799 120.400 0.017 0.000 2.152 508 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 508 K C 2.135 178.736 176.600 0.002 0.000 1.048 508 K CA 1.661 57.953 56.287 0.008 0.000 0.933 508 K CB -0.109 32.394 32.500 0.005 0.000 0.721 508 K HN 0.361 nan 8.250 nan 0.000 0.447 509 K N 1.257 121.657 120.400 -0.000 0.000 2.025 509 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 509 K C 1.844 178.449 176.600 0.009 0.000 1.049 509 K CA 1.076 57.365 56.287 0.003 0.000 0.933 509 K CB -0.387 32.112 32.500 -0.002 0.000 0.714 509 K HN -0.097 nan 8.250 nan 0.000 0.438 510 V N 1.223 121.146 119.914 0.016 0.000 2.255 510 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 510 V C 2.362 178.438 176.094 -0.029 0.000 1.051 510 V CA 2.156 64.464 62.300 0.013 0.000 1.018 510 V CB -1.025 30.817 31.823 0.031 0.000 0.641 510 V HN 0.504 nan 8.190 nan 0.000 0.445 511 A N 0.718 123.513 122.820 -0.041 0.000 1.892 511 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 511 A C 2.531 180.093 177.584 -0.037 0.000 1.188 511 A CA 2.602 54.600 52.037 -0.065 0.000 0.631 511 A CB -0.973 17.999 19.000 -0.047 0.000 0.822 511 A HN 0.744 nan 8.150 nan 0.000 0.447 512 S N -1.377 114.315 115.700 -0.014 0.000 2.465 512 S HA -0.167 4.303 4.470 -0.000 0.000 0.241 512 S C 1.522 176.123 174.600 0.001 0.000 1.000 512 S CA 1.380 59.579 58.200 -0.003 0.000 0.964 512 S CB -1.158 62.045 63.200 0.005 0.000 0.763 512 S HN 0.551 nan 8.310 nan 0.000 0.512 513 C N 1.590 120.890 119.300 0.001 0.000 2.697 513 C HA 0.416 4.876 4.460 -0.000 0.000 0.267 513 C C 0.796 175.791 174.990 0.010 0.000 1.278 513 C CA -0.759 58.267 59.018 0.013 0.000 1.708 513 C CB -1.242 26.515 27.740 0.029 0.000 1.860 513 C HN 0.422 nan 8.230 nan 0.000 0.589 514 V N 3.326 123.234 119.914 -0.010 0.000 2.446 514 V HA 0.181 4.301 4.120 -0.000 0.000 0.276 514 V C 1.078 177.174 176.094 0.004 0.000 1.030 514 V CA 0.303 62.596 62.300 -0.011 0.000 1.033 514 V CB 0.097 31.895 31.823 -0.043 0.000 0.993 514 V HN 0.604 nan 8.190 nan 0.000 0.477 515 T N 2.147 116.710 114.554 0.016 0.000 2.766 515 T HA 0.164 4.514 4.350 -0.000 0.000 0.295 515 T C 0.981 175.690 174.700 0.014 0.000 1.024 515 T CA -0.512 61.597 62.100 0.016 0.000 1.018 515 T CB 0.965 69.846 68.868 0.021 0.000 1.002 515 T HN 0.613 nan 8.240 nan 0.000 0.532 516 E N 0.502 120.709 120.200 0.012 0.000 2.208 516 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 516 E C 1.656 178.262 176.600 0.010 0.000 0.988 516 E CA 0.788 57.194 56.400 0.011 0.000 0.828 516 E CB -0.168 29.537 29.700 0.008 0.000 0.763 516 E HN 0.647 nan 8.360 nan 0.000 0.478 517 D N 0.468 120.874 120.400 0.010 0.000 2.103 517 D HA -0.037 4.603 4.640 -0.000 0.000 0.199 517 D C 1.916 178.225 176.300 0.014 0.000 0.978 517 D CA 0.805 54.809 54.000 0.007 0.000 0.829 517 D CB -0.140 40.665 40.800 0.008 0.000 0.981 517 D HN -0.022 nan 8.370 nan 0.000 0.464 518 S N 0.689 116.404 115.700 0.025 0.000 2.419 518 S HA -0.121 4.349 4.470 -0.000 0.000 0.235 518 S C 1.783 176.409 174.600 0.043 0.000 1.019 518 S CA 0.313 58.537 58.200 0.040 0.000 0.982 518 S CB -0.057 63.172 63.200 0.048 0.000 0.789 518 S HN 0.114 nan 8.310 nan 0.000 0.490 519 L N 1.262 122.503 121.223 0.030 0.000 2.341 519 L HA 0.182 4.522 4.340 -0.000 0.000 0.214 519 L C 1.459 178.349 176.870 0.033 0.000 1.115 519 L CA 1.419 56.281 54.840 0.036 0.000 0.820 519 L CB -0.231 41.843 42.059 0.024 0.000 0.944 519 L HN 0.048 nan 8.230 nan 0.000 0.452 520 K N -1.387 119.019 120.400 0.011 0.000 2.476 520 K HA 0.169 4.489 4.320 -0.000 0.000 0.196 520 K C 0.506 177.072 176.600 -0.058 0.000 1.025 520 K CA 0.101 56.380 56.287 -0.014 0.000 1.138 520 K CB 0.450 32.939 32.500 -0.018 0.000 0.860 520 K HN 0.145 nan 8.250 nan 0.000 0.515 521 V N -0.568 119.329 119.914 -0.028 0.000 3.276 521 V HA 0.184 4.304 4.120 -0.000 0.000 0.319 521 V C 0.850 176.978 176.094 0.057 0.000 1.476 521 V CA 0.154 62.413 62.300 -0.068 0.000 1.097 521 V CB 0.788 32.598 31.823 -0.022 0.000 0.988 521 V HN 0.444 nan 8.190 nan 0.000 0.473 522 G N 1.641 110.522 108.800 0.134 0.000 2.148 522 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 522 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 522 G C 0.266 175.329 174.900 0.271 0.000 0.981 522 G CA 0.407 45.683 45.100 0.294 0.000 0.670 522 G HN 0.514 nan 8.290 nan 0.000 0.528 523 R N 0.167 120.774 120.500 0.177 0.000 2.202 523 R HA 0.498 4.838 4.340 -0.000 0.000 0.334 523 R C 1.503 177.850 176.300 0.078 0.000 1.036 523 R CA 0.203 56.396 56.100 0.155 0.000 0.878 523 R CB 0.828 31.209 30.300 0.135 0.000 1.067 523 R HN 0.495 nan 8.270 nan 0.000 0.457 524 V N 1.484 121.416 119.914 0.030 0.000 3.444 524 V HA 0.341 4.460 4.120 -0.000 0.000 0.308 524 V C -0.517 175.283 176.094 -0.489 0.000 1.371 524 V CA -0.328 61.871 62.300 -0.168 0.000 1.141 524 V CB -0.735 30.989 31.823 -0.164 0.000 1.037 524 V HN 0.549 nan 8.190 nan 0.000 0.433 525 Y N -0.198 120.047 120.300 -0.091 0.000 2.492 525 Y HA 0.690 5.240 4.550 -0.000 0.000 0.346 525 Y C -2.568 173.252 175.900 -0.133 0.000 0.997 525 Y CA -2.421 55.532 58.100 -0.246 0.000 1.025 525 Y CB 2.410 40.653 38.460 -0.362 0.000 1.263 525 Y HN 0.010 nan 8.280 nan 0.000 0.454 526 P HA 0.095 nan 4.420 nan 0.000 0.274 526 P C -1.095 176.357 177.300 0.254 0.000 1.260 526 P CA -0.479 62.689 63.100 0.113 0.000 0.793 526 P CB 0.542 32.307 31.700 0.109 0.000 1.048 527 Q N 0.016 119.936 119.800 0.201 0.000 2.352 527 Q HA 0.115 4.455 4.340 -0.000 0.000 0.260 527 Q C 1.198 177.316 176.000 0.196 0.000 0.976 527 Q CA -0.189 55.727 55.803 0.187 0.000 0.881 527 Q CB 0.276 29.081 28.738 0.112 0.000 1.235 527 Q HN 0.359 nan 8.270 nan 0.000 0.419 528 L N 2.531 123.832 121.223 0.130 0.000 2.129 528 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 528 L C 2.200 179.064 176.870 -0.010 0.000 1.087 528 L CA 1.645 56.478 54.840 -0.012 0.000 0.757 528 L CB -0.532 41.494 42.059 -0.057 0.000 0.896 528 L HN 0.679 nan 8.230 nan 0.000 0.434 529 K N -0.793 119.620 120.400 0.022 0.000 2.442 529 K HA -0.111 4.209 4.320 -0.000 0.000 0.198 529 K C 1.166 177.776 176.600 0.016 0.000 1.042 529 K CA 0.921 57.212 56.287 0.007 0.000 0.958 529 K CB 0.020 32.524 32.500 0.007 0.000 0.766 529 K HN 0.167 nan 8.250 nan 0.000 0.474 530 E N 0.853 121.080 120.200 0.046 0.000 2.463 530 E HA 0.138 4.488 4.350 -0.000 0.000 0.193 530 E C 1.428 178.061 176.600 0.054 0.000 1.041 530 E CA 0.014 56.446 56.400 0.053 0.000 0.879 530 E CB 0.084 29.830 29.700 0.077 0.000 0.997 530 E HN 0.427 nan 8.360 nan 0.000 0.478 531 I N 0.272 120.859 120.570 0.027 0.000 2.493 531 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 531 I C 2.406 178.517 176.117 -0.009 0.000 1.160 531 I CA 0.859 62.160 61.300 0.001 0.000 1.445 531 I CB -0.071 37.868 38.000 -0.102 0.000 1.086 531 I HN 0.020 nan 8.210 nan 0.000 0.433 532 R N 0.540 121.035 120.500 -0.007 0.000 2.066 532 R HA -0.209 4.131 4.340 -0.000 0.000 0.232 532 R C 2.280 178.584 176.300 0.006 0.000 1.131 532 R CA 1.604 57.702 56.100 -0.004 0.000 0.955 532 R CB -0.219 30.080 30.300 -0.003 0.000 0.851 532 R HN 0.198 nan 8.270 nan 0.000 0.432 533 E N 1.043 121.251 120.200 0.013 0.000 2.106 533 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 533 E C 1.736 178.352 176.600 0.026 0.000 0.984 533 E CA 1.158 57.570 56.400 0.020 0.000 0.806 533 E CB -0.141 29.572 29.700 0.022 0.000 0.750 533 E HN 0.282 nan 8.360 nan 0.000 0.458 534 I N 0.013 120.603 120.570 0.034 0.000 2.226 534 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 534 I C 2.260 178.392 176.117 0.025 0.000 1.100 534 I CA 1.164 62.489 61.300 0.040 0.000 1.374 534 I CB -0.289 37.754 38.000 0.072 0.000 1.057 534 I HN 0.070 nan 8.210 nan 0.000 0.413 535 S N 0.904 116.610 115.700 0.010 0.000 2.370 535 S HA -0.163 4.306 4.470 -0.000 0.000 0.226 535 S C 2.000 176.610 174.600 0.017 0.000 1.033 535 S CA 1.377 59.575 58.200 -0.003 0.000 1.011 535 S CB -0.345 62.842 63.200 -0.021 0.000 0.852 535 S HN 0.335 nan 8.310 nan 0.000 0.457 536 I N 1.425 122.010 120.570 0.025 0.000 2.179 536 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 536 I C 2.693 178.841 176.117 0.051 0.000 1.088 536 I CA 1.023 62.348 61.300 0.042 0.000 1.357 536 I CB -0.349 37.670 38.000 0.033 0.000 1.051 536 I HN 0.245 nan 8.210 nan 0.000 0.409 537 Q N 0.529 120.351 119.800 0.037 0.000 2.084 537 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 537 Q C 2.295 178.309 176.000 0.024 0.000 0.978 537 Q CA 1.659 57.482 55.803 0.033 0.000 0.844 537 Q CB -0.327 28.427 28.738 0.028 0.000 0.898 537 Q HN 0.586 nan 8.270 nan 0.000 0.426 538 I N 0.407 120.986 120.570 0.015 0.000 2.315 538 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 538 I C 2.339 178.455 176.117 -0.001 0.000 1.117 538 I CA 0.928 62.223 61.300 -0.008 0.000 1.404 538 I CB -0.464 37.523 38.000 -0.022 0.000 1.071 538 I HN 0.046 nan 8.210 nan 0.000 0.419 539 A N 0.682 123.530 122.820 0.047 0.000 1.877 539 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 539 A C 2.452 180.095 177.584 0.100 0.000 1.186 539 A CA 1.819 53.932 52.037 0.127 0.000 0.620 539 A CB -0.979 18.147 19.000 0.209 0.000 0.822 539 A HN 0.230 nan 8.150 nan 0.000 0.443 540 V N -0.091 119.874 119.914 0.084 0.000 2.295 540 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 540 V C 2.600 178.659 176.094 -0.059 0.000 1.049 540 V CA 2.431 64.745 62.300 0.023 0.000 1.024 540 V CB -0.740 31.122 31.823 0.065 0.000 0.648 540 V HN 0.679 nan 8.190 nan 0.000 0.447 541 E N 0.073 120.256 120.200 -0.028 0.000 2.077 541 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 541 E C 2.119 178.687 176.600 -0.053 0.000 0.989 541 E CA 1.643 58.025 56.400 -0.029 0.000 0.800 541 E CB -0.336 29.349 29.700 -0.026 0.000 0.746 541 E HN 0.552 nan 8.360 nan 0.000 0.452 542 M N -0.620 118.925 119.600 -0.093 0.000 2.279 542 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 542 M C 2.154 178.347 176.300 -0.179 0.000 1.062 542 M CA 1.311 56.544 55.300 -0.111 0.000 1.099 542 M CB -0.132 32.403 32.600 -0.108 0.000 1.394 542 M HN 0.207 nan 8.290 nan 0.000 0.426 543 A N 0.972 123.564 122.820 -0.380 0.000 1.841 543 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 543 A C 2.091 179.557 177.584 -0.197 0.000 1.195 543 A CA 1.608 53.244 52.037 -0.669 0.000 0.611 543 A CB -0.498 17.755 19.000 -1.245 0.000 0.835 543 A HN 0.382 nan 8.150 nan 0.000 0.443 544 K N -1.522 118.837 120.400 -0.068 0.000 2.034 544 K HA -0.250 4.070 4.320 -0.000 0.000 0.214 544 K C 2.014 178.652 176.600 0.063 0.000 1.051 544 K CA 2.084 58.397 56.287 0.042 0.000 0.931 544 K CB -0.557 31.966 32.500 0.038 0.000 0.715 544 K HN 0.574 nan 8.250 nan 0.000 0.446 545 Y N 1.152 121.413 120.300 -0.065 0.000 2.207 545 Y HA -0.317 4.233 4.550 -0.000 0.000 0.287 545 Y C 2.265 178.124 175.900 -0.068 0.000 1.156 545 Y CA 1.362 59.430 58.100 -0.053 0.000 1.182 545 Y CB -0.207 38.217 38.460 -0.061 0.000 0.979 545 Y HN 0.118 nan 8.280 nan 0.000 0.521 546 C N -1.194 118.102 119.300 -0.007 0.000 2.467 546 C HA -0.087 4.373 4.460 -0.000 0.000 0.279 546 C C 2.350 177.223 174.990 -0.196 0.000 1.347 546 C CA 0.556 59.495 59.018 -0.132 0.000 1.748 546 C CB -1.493 26.135 27.740 -0.187 0.000 1.977 546 C HN 0.609 nan 8.230 nan 0.000 0.501 547 Y N 1.149 121.405 120.300 -0.074 0.000 2.439 547 Y HA -0.128 4.422 4.550 -0.000 0.000 0.292 547 Y C 2.572 178.432 175.900 -0.066 0.000 1.130 547 Y CA 1.283 59.352 58.100 -0.051 0.000 1.254 547 Y CB -0.147 38.281 38.460 -0.054 0.000 1.000 547 Y HN 0.305 nan 8.280 nan 0.000 0.554 548 K N 1.195 121.605 120.400 0.017 0.000 2.062 548 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 548 K C 1.011 177.549 176.600 -0.103 0.000 1.051 548 K CA 1.640 57.893 56.287 -0.056 0.000 0.941 548 K CB -0.234 32.190 32.500 -0.127 0.000 0.719 548 K HN 0.565 nan 8.250 nan 0.000 0.440 549 N N -1.278 117.319 118.700 -0.172 0.000 2.251 549 N HA 0.067 4.807 4.740 -0.000 0.000 0.217 549 N C 0.253 175.722 175.510 -0.068 0.000 1.124 549 N CA 0.261 53.224 53.050 -0.144 0.000 0.843 549 N CB 0.742 39.092 38.487 -0.228 0.000 1.024 549 N HN 0.192 nan 8.380 nan 0.000 0.501 550 G N 1.169 109.949 108.800 -0.034 0.000 2.323 550 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.292 550 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.292 550 G C 0.645 175.536 174.900 -0.015 0.000 1.040 550 G CA 0.970 46.071 45.100 0.001 0.000 0.942 550 G HN 0.614 nan 8.290 nan 0.000 0.506 551 T N -4.028 110.495 114.554 -0.051 0.000 3.010 551 T HA 0.636 4.986 4.350 -0.000 0.000 0.257 551 T C 1.162 175.814 174.700 -0.080 0.000 1.020 551 T CA 1.101 63.179 62.100 -0.037 0.000 0.938 551 T CB 0.808 69.675 68.868 -0.002 0.000 1.049 551 T HN 1.560 nan 8.240 nan 0.000 0.522 552 A N 1.657 124.373 122.820 -0.173 0.000 2.347 552 A HA 0.547 4.867 4.320 -0.000 0.000 0.287 552 A C 0.887 178.422 177.584 -0.081 0.000 1.199 552 A CA -0.602 51.285 52.037 -0.249 0.000 0.851 552 A CB -0.076 18.451 19.000 -0.788 0.000 1.118 552 A HN 0.264 nan 8.150 nan 0.000 0.525 553 N N 0.973 119.669 118.700 -0.008 0.000 2.446 553 N HA -0.005 4.735 4.740 -0.000 0.000 0.179 553 N C 0.454 176.047 175.510 0.138 0.000 1.054 553 N CA 0.157 53.240 53.050 0.056 0.000 0.905 553 N CB -0.219 38.278 38.487 0.017 0.000 0.973 553 N HN 0.683 nan 8.380 nan 0.000 0.448 554 L N 1.442 122.761 121.223 0.160 0.000 2.562 554 L HA 0.067 4.407 4.340 -0.000 0.000 0.271 554 L C -0.946 176.119 176.870 0.324 0.000 1.167 554 L CA 0.223 55.184 54.840 0.200 0.000 0.917 554 L CB -0.340 41.828 42.059 0.182 0.000 1.187 554 L HN 0.103 nan 8.230 nan 0.000 0.482 555 Y N 7.596 127.960 120.300 0.107 0.000 2.364 555 Y HA 0.710 5.260 4.550 -0.000 0.000 0.340 555 Y C -2.131 173.790 175.900 0.036 0.000 0.975 555 Y CA -1.927 56.225 58.100 0.088 0.000 1.089 555 Y CB 0.908 39.407 38.460 0.065 0.000 1.192 555 Y HN 0.681 nan 8.280 nan 0.000 0.454 556 P HA 0.236 nan 4.420 nan 0.000 0.287 556 P C -1.459 175.645 177.300 -0.326 0.000 1.296 556 P CA -0.860 61.793 63.100 -0.745 0.000 0.811 556 P CB 1.177 32.341 31.700 -0.893 0.000 1.211 557 Q N 1.185 120.724 119.800 -0.434 0.000 2.274 557 Q HA 0.125 4.465 4.340 -0.000 0.000 0.280 557 Q C -1.748 174.022 176.000 -0.385 0.000 1.047 557 Q CA -1.372 53.984 55.803 -0.746 0.000 0.907 557 Q CB 0.103 28.084 28.738 -1.261 0.000 1.171 557 Q HN 0.228 nan 8.270 nan 0.000 0.381 558 P HA -0.087 nan 4.420 nan 0.000 0.267 558 P C -0.019 177.268 177.300 -0.021 0.000 1.200 558 P CA 0.239 63.261 63.100 -0.131 0.000 0.772 558 P CB 0.816 32.337 31.700 -0.298 0.000 0.855 559 E N 0.916 121.167 120.200 0.085 0.000 2.021 559 E HA -0.208 4.142 4.350 -0.000 0.000 0.200 559 E C 0.383 177.051 176.600 0.112 0.000 1.015 559 E CA 1.234 57.675 56.400 0.068 0.000 0.824 559 E CB 0.071 29.812 29.700 0.068 0.000 0.762 559 E HN 0.488 nan 8.360 nan 0.000 0.454 560 D N -0.395 120.153 120.400 0.246 0.000 2.472 560 D HA 0.078 4.718 4.640 -0.000 0.000 0.234 560 D C 1.140 177.576 176.300 0.225 0.000 1.088 560 D CA -0.136 54.000 54.000 0.226 0.000 0.882 560 D CB 0.839 41.805 40.800 0.277 0.000 1.037 560 D HN 0.118 nan 8.370 nan 0.000 0.520 561 L N 2.543 123.870 121.223 0.173 0.000 1.990 561 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 561 L C 2.359 179.374 176.870 0.242 0.000 1.072 561 L CA 1.345 56.328 54.840 0.238 0.000 0.755 561 L CB -0.267 41.890 42.059 0.162 0.000 0.889 561 L HN 0.488 nan 8.230 nan 0.000 0.432 562 E N 0.347 120.644 120.200 0.163 0.000 2.085 562 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 562 E C 2.177 178.843 176.600 0.109 0.000 0.994 562 E CA 1.337 57.814 56.400 0.128 0.000 0.801 562 E CB 0.135 29.893 29.700 0.097 0.000 0.743 562 E HN 0.388 nan 8.360 nan 0.000 0.453 563 K N -0.461 120.023 120.400 0.140 0.000 2.097 563 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 563 K C 2.172 178.781 176.600 0.016 0.000 1.050 563 K CA 1.277 57.657 56.287 0.156 0.000 0.938 563 K CB -0.339 32.346 32.500 0.310 0.000 0.718 563 K HN 0.247 nan 8.250 nan 0.000 0.442 564 Y N 1.766 121.866 120.300 -0.333 0.000 2.181 564 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 564 Y C 1.899 177.639 175.900 -0.267 0.000 1.146 564 Y CA 1.032 58.703 58.100 -0.715 0.000 1.164 564 Y CB -0.290 37.705 38.460 -0.775 0.000 0.982 564 Y HN -0.260 nan 8.280 nan 0.000 0.515 565 V N 1.104 120.877 119.914 -0.236 0.000 2.358 565 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 565 V C 2.377 178.370 176.094 -0.167 0.000 1.047 565 V CA 2.215 64.382 62.300 -0.222 0.000 1.035 565 V CB -0.605 31.252 31.823 0.057 0.000 0.658 565 V HN 0.333 nan 8.190 nan 0.000 0.452 566 R N 0.362 120.814 120.500 -0.079 0.000 2.152 566 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 566 R C 2.185 178.447 176.300 -0.063 0.000 1.117 566 R CA 1.312 57.387 56.100 -0.042 0.000 0.981 566 R CB -0.425 29.881 30.300 0.010 0.000 0.870 566 R HN 0.531 nan 8.270 nan 0.000 0.451 567 A N 0.326 123.083 122.820 -0.105 0.000 2.169 567 A HA -0.029 4.291 4.320 -0.000 0.000 0.212 567 A C 1.745 179.244 177.584 -0.141 0.000 1.153 567 A CA 0.575 52.563 52.037 -0.081 0.000 0.756 567 A CB 0.182 19.167 19.000 -0.024 0.000 0.813 567 A HN 0.123 nan 8.150 nan 0.000 0.471 568 Q N -0.254 119.407 119.800 -0.230 0.000 2.373 568 Q HA 0.091 4.431 4.340 -0.000 0.000 0.210 568 Q C 1.077 177.016 176.000 -0.103 0.000 0.913 568 Q CA 0.804 56.495 55.803 -0.186 0.000 0.911 568 Q CB -0.395 28.155 28.738 -0.314 0.000 1.040 568 Q HN 0.598 nan 8.270 nan 0.000 0.521 569 V N -0.576 119.285 119.914 -0.089 0.000 2.999 569 V HA 0.032 4.152 4.120 -0.000 0.000 0.307 569 V C 0.373 176.444 176.094 -0.039 0.000 1.084 569 V CA -0.844 61.428 62.300 -0.047 0.000 1.155 569 V CB -0.151 31.655 31.823 -0.028 0.000 0.975 569 V HN 0.131 nan 8.190 nan 0.000 0.490 570 Y N 3.485 123.675 120.300 -0.184 0.000 2.578 570 Y HA 0.297 4.847 4.550 -0.000 0.000 0.339 570 Y C 0.366 176.184 175.900 -0.136 0.000 1.231 570 Y CA 0.260 58.240 58.100 -0.201 0.000 1.461 570 Y CB 0.462 38.770 38.460 -0.254 0.000 1.323 570 Y HN 1.034 nan 8.280 nan 0.000 0.590 571 N N 2.401 120.652 118.700 -0.748 0.000 2.448 571 N HA 0.122 4.862 4.740 -0.000 0.000 0.279 571 N C 0.178 175.181 175.510 -0.845 0.000 1.025 571 N CA 0.027 52.730 53.050 -0.579 0.000 0.898 571 N CB 1.199 39.490 38.487 -0.326 0.000 1.303 571 N HN 0.680 nan 8.380 nan 0.000 0.495 572 T N -0.574 113.639 114.554 -0.568 0.000 3.072 572 T HA 0.038 4.388 4.350 -0.000 0.000 0.266 572 T C 0.406 174.913 174.700 -0.321 0.000 1.127 572 T CA 0.622 62.488 62.100 -0.390 0.000 1.107 572 T CB -0.172 68.603 68.868 -0.154 0.000 0.910 572 T HN 0.366 nan 8.240 nan 0.000 0.513 573 E N 1.208 121.233 120.200 -0.291 0.000 2.383 573 E HA 0.156 4.506 4.350 -0.000 0.000 0.264 573 E C -0.554 175.951 176.600 -0.159 0.000 1.050 573 E CA -0.290 55.965 56.400 -0.242 0.000 0.896 573 E CB 0.431 30.039 29.700 -0.154 0.000 0.982 573 E HN 0.592 nan 8.360 nan 0.000 0.424 574 Y N 1.158 121.403 120.300 -0.091 0.000 2.511 574 Y HA -0.013 4.536 4.550 -0.000 0.000 0.332 574 Y C 1.278 177.131 175.900 -0.079 0.000 1.177 574 Y CA 0.152 58.197 58.100 -0.092 0.000 1.422 574 Y CB 0.681 39.080 38.460 -0.101 0.000 1.271 574 Y HN 0.306 nan 8.280 nan 0.000 0.550 575 E N 1.848 122.112 120.200 0.106 0.000 2.232 575 E HA 0.174 4.524 4.350 -0.000 0.000 0.264 575 E C -0.783 175.833 176.600 0.026 0.000 0.973 575 E CA -1.100 55.316 56.400 0.027 0.000 0.849 575 E CB 1.075 30.764 29.700 -0.018 0.000 1.198 575 E HN 0.492 nan 8.360 nan 0.000 0.407 576 E N 1.377 121.581 120.200 0.007 0.000 2.360 576 E HA 0.065 4.415 4.350 -0.000 0.000 0.269 576 E C 0.290 176.902 176.600 0.021 0.000 1.022 576 E CA 0.265 56.679 56.400 0.022 0.000 0.887 576 E CB 0.876 30.586 29.700 0.016 0.000 0.990 576 E HN 0.433 nan 8.360 nan 0.000 0.426 577 L N 2.814 124.068 121.223 0.052 0.000 2.766 577 L HA 0.312 4.651 4.340 -0.000 0.000 0.242 577 L C 0.511 177.398 176.870 0.027 0.000 1.136 577 L CA 0.050 54.923 54.840 0.055 0.000 0.933 577 L CB 0.325 42.452 42.059 0.113 0.000 1.241 577 L HN 0.314 nan 8.230 nan 0.000 0.522 578 I N 0.299 120.869 120.570 0.001 0.000 2.336 578 I HA 0.133 4.303 4.170 -0.000 0.000 0.292 578 I C -0.002 176.100 176.117 -0.025 0.000 0.991 578 I CA -0.616 60.651 61.300 -0.055 0.000 1.227 578 I CB 1.212 39.115 38.000 -0.162 0.000 1.366 578 I HN 0.057 nan 8.210 nan 0.000 0.466 579 N N 3.781 122.472 118.700 -0.016 0.000 2.294 579 N HA 0.127 4.867 4.740 -0.000 0.000 0.248 579 N C -0.154 175.387 175.510 0.052 0.000 1.242 579 N CA 0.246 53.318 53.050 0.037 0.000 0.848 579 N CB 0.457 38.955 38.487 0.018 0.000 1.084 579 N HN 0.734 nan 8.380 nan 0.000 0.457 580 A N 1.228 124.138 122.820 0.151 0.000 2.331 580 A HA 0.470 4.789 4.320 -0.000 0.000 0.283 580 A C 0.393 178.060 177.584 0.138 0.000 1.142 580 A CA -0.578 51.560 52.037 0.169 0.000 0.812 580 A CB 0.184 19.365 19.000 0.302 0.000 1.074 580 A HN 0.660 nan 8.150 nan 0.000 0.497 581 T N -0.445 114.156 114.554 0.079 0.000 2.945 581 T HA 0.749 5.099 4.350 -0.000 0.000 0.286 581 T C -0.652 174.126 174.700 0.130 0.000 1.025 581 T CA -0.435 61.671 62.100 0.009 0.000 1.039 581 T CB 1.050 69.877 68.868 -0.069 0.000 1.068 581 T HN 1.245 nan 8.240 nan 0.000 0.497 582 Y N -1.563 118.723 120.300 -0.023 0.000 2.521 582 Y HA 0.610 5.160 4.550 -0.000 0.000 0.332 582 Y C -1.148 174.779 175.900 0.045 0.000 1.121 582 Y CA -1.476 56.629 58.100 0.009 0.000 1.037 582 Y CB 0.589 39.065 38.460 0.028 0.000 1.330 582 Y HN 0.474 nan 8.280 nan 0.000 0.452 583 D N 1.563 122.106 120.400 0.238 0.000 2.357 583 D HA 0.106 4.746 4.640 -0.000 0.000 0.242 583 D C -0.906 175.683 176.300 0.482 0.000 1.153 583 D CA 0.600 54.737 54.000 0.228 0.000 0.918 583 D CB 0.786 41.700 40.800 0.191 0.000 1.181 583 D HN 0.563 nan 8.370 nan 0.000 0.435 584 W N 0.097 121.451 121.300 0.091 0.000 2.762 584 W HA 0.351 5.011 4.660 -0.000 0.000 0.355 584 W C -2.002 174.518 176.519 0.001 0.000 1.124 584 W CA -2.277 55.115 57.345 0.078 0.000 1.141 584 W CB -0.158 29.317 29.460 0.025 0.000 1.432 584 W HN 0.111 nan 8.180 nan 0.000 0.586 585 P HA -0.058 nan 4.420 nan 0.000 0.263 585 P C 0.896 178.199 177.300 0.005 0.000 1.195 585 P CA 0.611 63.632 63.100 -0.132 0.000 0.762 585 P CB 0.539 32.136 31.700 -0.171 0.000 0.799 586 E N 3.184 123.374 120.200 -0.018 0.000 2.172 586 E HA -0.415 3.935 4.350 -0.000 0.000 0.213 586 E C 1.512 178.137 176.600 0.041 0.000 1.051 586 E CA 1.740 58.160 56.400 0.032 0.000 0.860 586 E CB -0.044 29.669 29.700 0.022 0.000 0.755 586 E HN 0.311 nan 8.360 nan 0.000 0.462 587 Q N 0.596 120.407 119.800 0.018 0.000 2.124 587 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 587 Q C 1.225 177.255 176.000 0.050 0.000 0.977 587 Q CA 2.006 57.824 55.803 0.026 0.000 0.850 587 Q CB -0.019 28.723 28.738 0.006 0.000 0.901 587 Q HN 0.397 nan 8.270 nan 0.000 0.429 588 D N -1.172 119.275 120.400 0.078 0.000 2.347 588 D HA -0.015 4.625 4.640 -0.000 0.000 0.213 588 D C 1.063 177.487 176.300 0.206 0.000 0.985 588 D CA 0.508 54.595 54.000 0.145 0.000 0.879 588 D CB 0.078 40.972 40.800 0.157 0.000 0.919 588 D HN 0.391 nan 8.370 nan 0.000 0.526 589 M N 0.745 120.436 119.600 0.151 0.000 2.495 589 M HA 0.057 4.537 4.480 -0.000 0.000 0.237 589 M C 0.515 176.834 176.300 0.032 0.000 1.131 589 M CA -0.056 55.288 55.300 0.073 0.000 1.032 589 M CB 0.413 33.057 32.600 0.074 0.000 1.513 589 M HN -0.116 nan 8.290 nan 0.000 0.488 590 R N 0.504 121.028 120.500 0.041 0.000 2.590 590 R HA 0.128 4.468 4.340 -0.000 0.000 0.274 590 R C -0.805 175.490 176.300 -0.008 0.000 1.061 590 R CA 0.137 56.270 56.100 0.054 0.000 1.081 590 R CB 0.338 30.666 30.300 0.047 0.000 0.984 590 R HN 0.230 nan 8.270 nan 0.000 0.448 591 H N 1.083 120.134 119.070 -0.031 0.000 2.517 591 H HA 0.449 5.005 4.556 -0.000 0.000 0.317 591 H C 0.409 175.700 175.328 -0.060 0.000 1.080 591 H CA 0.386 56.400 56.048 -0.056 0.000 1.301 591 H CB 1.763 31.487 29.762 -0.064 0.000 1.425 591 H HN 0.980 nan 8.280 nan 0.000 0.471 592 G N 2.255 111.033 108.800 -0.036 0.000 2.340 592 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.527 592 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.527 592 G C -1.168 173.682 174.900 -0.084 0.000 1.381 592 G CA -1.169 43.886 45.100 -0.076 0.000 1.001 592 G HN 0.428 nan 8.290 nan 0.000 0.626 593 F N 1.898 121.854 119.950 0.010 0.000 2.608 593 F HA 0.223 4.750 4.527 -0.000 0.000 0.380 593 F C 0.371 176.172 175.800 0.002 0.000 1.083 593 F CA -0.048 57.953 58.000 0.001 0.000 1.266 593 F CB 1.090 40.086 39.000 -0.006 0.000 1.076 593 F HN 0.368 nan 8.300 nan 0.000 0.574 594 P HA -0.037 nan 4.420 nan 0.000 0.222 594 P C -0.147 177.214 177.300 0.101 0.000 1.153 594 P CA 1.004 64.175 63.100 0.117 0.000 0.798 594 P CB 0.546 32.299 31.700 0.089 0.000 0.796 595 V N 3.439 123.421 119.914 0.114 0.000 2.483 595 V HA 0.293 4.413 4.120 -0.000 0.000 0.297 595 V C -2.250 173.835 176.094 -0.016 0.000 1.027 595 V CA -2.017 60.306 62.300 0.037 0.000 0.855 595 V CB 1.876 33.704 31.823 0.008 0.000 0.995 595 V HN 0.026 nan 8.190 nan 0.000 0.424 596 P HA 0.188 nan 4.420 nan 0.000 0.266 596 P C -0.601 176.579 177.300 -0.200 0.000 1.195 596 P CA 0.354 63.403 63.100 -0.085 0.000 0.768 596 P CB 1.305 32.982 31.700 -0.039 0.000 0.838 597 V N 0.511 120.238 119.914 -0.311 0.000 3.141 597 V HA 0.570 4.690 4.120 -0.000 0.000 0.312 597 V C -0.463 175.482 176.094 -0.248 0.000 1.157 597 V CA -1.058 61.028 62.300 -0.357 0.000 1.041 597 V CB 1.942 33.379 31.823 -0.642 0.000 1.071 597 V HN 0.243 nan 8.190 nan 0.000 0.441 598 V N 2.274 122.059 119.914 -0.216 0.000 2.439 598 V HA 0.471 4.591 4.120 -0.000 0.000 0.282 598 V C 0.655 176.626 176.094 -0.205 0.000 1.039 598 V CA -0.413 61.795 62.300 -0.154 0.000 0.913 598 V CB 1.117 32.877 31.823 -0.105 0.000 0.983 598 V HN 1.035 nan 8.190 nan 0.000 0.460 599 R N 3.835 124.252 120.500 -0.138 0.000 2.679 599 R HA 0.067 4.407 4.340 -0.000 0.000 0.268 599 R C 0.348 176.581 176.300 -0.112 0.000 1.044 599 R CA -0.261 55.759 56.100 -0.133 0.000 1.105 599 R CB 0.303 30.586 30.300 -0.029 0.000 0.989 599 R HN 0.782 nan 8.270 nan 0.000 0.447 600 H N 0.000 119.077 119.070 0.012 0.000 2.539 600 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 600 H CA 0.000 56.054 56.048 0.009 0.000 1.023 600 H CB 0.000 29.773 29.762 0.018 0.000 1.292 600 H HN 0.000 nan 8.280 nan 0.000 0.496