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 2pol_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKFTVEREHL LKPLQQVSGP LGGRPTLPIL GNLLLQVADG TLSLTGTDLE DATA SEQUENCE MEMVARVALV QPHEPGATTV PARKFFDICR GLPEGAEIAV QLEGERMLVR DATA SEQUENCE SGRSRFSLST LPAADFPNLD DWQSEVEFTL PQATMKRLIE ATQFSMAHQD DATA SEQUENCE VRYYLNGMLF ETEGEELRTV ATDGHRLAVC SMPIGQSLPS HSVIVPRKGV DATA SEQUENCE IELMRMLDGG DNPLRVQIGS NNIRAHVGDF IFTSKLVDGR FPDYRRVLPK DATA SEQUENCE NPDKHLEAGC DLLKQAFARA AILSNEKFRG VRLYVSENQL KITANNPEQE DATA SEQUENCE EAEEILDVTY SGAEMEIGFN VSYVLDVLNA LKCENVRMML TDSVSSVQIE DATA SEQUENCE DAASQSAAYV VMPMRL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.361 176.300 0.102 0.000 1.140 1 M CA 0.000 55.361 55.300 0.102 0.000 0.988 1 M CB 0.000 32.663 32.600 0.105 0.000 1.302 2 K N 4.583 125.076 120.400 0.155 0.000 2.523 2 K HA 0.807 5.127 4.320 0.000 0.000 0.257 2 K C -1.857 174.896 176.600 0.254 0.000 0.932 2 K CA -0.553 55.791 56.287 0.096 0.000 0.812 2 K CB 2.620 35.157 32.500 0.061 0.000 1.326 2 K HN 0.554 nan 8.250 nan 0.000 0.433 3 F N -2.210 117.787 119.950 0.078 0.000 2.693 3 F HA 0.606 5.133 4.527 0.000 0.000 0.309 3 F C -1.136 174.714 175.800 0.083 0.000 1.129 3 F CA -0.848 57.206 58.000 0.091 0.000 0.948 3 F CB 1.836 40.868 39.000 0.053 0.000 1.315 3 F HN 0.203 nan 8.300 nan 0.000 0.447 4 T N 2.256 116.967 114.554 0.263 0.000 2.879 4 T HA 0.694 5.045 4.350 0.000 0.000 0.290 4 T C -0.947 173.907 174.700 0.257 0.000 0.993 4 T CA -0.622 61.572 62.100 0.156 0.000 0.975 4 T CB 1.644 70.569 68.868 0.094 0.000 0.981 4 T HN 0.865 nan 8.240 nan 0.000 0.439 5 V N 0.687 120.756 119.914 0.258 0.000 3.102 5 V HA 0.695 4.815 4.120 0.000 0.000 0.312 5 V C -0.360 175.804 176.094 0.116 0.000 1.135 5 V CA -1.254 61.188 62.300 0.236 0.000 1.022 5 V CB 2.082 34.090 31.823 0.309 0.000 1.056 5 V HN 0.833 nan 8.190 nan 0.000 0.436 6 E N 0.918 121.132 120.200 0.023 0.000 2.266 6 E HA 0.319 4.669 4.350 0.000 0.000 0.277 6 E C 0.865 177.396 176.600 -0.115 0.000 1.018 6 E CA -0.643 55.679 56.400 -0.129 0.000 0.840 6 E CB 1.461 30.924 29.700 -0.396 0.000 1.082 6 E HN 0.714 nan 8.360 nan 0.000 0.395 7 R N 2.760 123.211 120.500 -0.080 0.000 2.113 7 R HA -0.238 4.102 4.340 0.000 0.000 0.244 7 R C 1.016 177.291 176.300 -0.041 0.000 1.142 7 R CA 2.088 58.157 56.100 -0.051 0.000 0.953 7 R CB 0.023 30.289 30.300 -0.057 0.000 0.860 7 R HN 0.532 nan 8.270 nan 0.000 0.438 8 E N -0.854 119.290 120.200 -0.095 0.000 2.409 8 E HA -0.109 4.241 4.350 0.000 0.000 0.198 8 E C 1.383 178.034 176.600 0.085 0.000 1.024 8 E CA 1.013 57.392 56.400 -0.035 0.000 0.861 8 E CB -0.086 29.576 29.700 -0.065 0.000 0.788 8 E HN 0.633 nan 8.360 nan 0.000 0.521 9 H N -1.571 117.526 119.070 0.046 0.000 2.544 9 H HA 0.073 4.629 4.556 0.000 0.000 0.269 9 H C 1.261 176.620 175.328 0.052 0.000 0.970 9 H CA -0.013 56.061 56.048 0.044 0.000 1.219 9 H CB 0.499 30.283 29.762 0.036 0.000 1.421 9 H HN 0.040 nan 8.280 nan 0.000 0.555 10 L N 0.051 121.376 121.223 0.169 0.000 2.354 10 L HA 0.006 4.346 4.340 0.000 0.000 0.212 10 L C 1.662 178.607 176.870 0.125 0.000 1.091 10 L CA 0.790 55.709 54.840 0.132 0.000 0.828 10 L CB -0.098 42.026 42.059 0.108 0.000 0.973 10 L HN 0.160 nan 8.230 nan 0.000 0.461 11 L N -0.248 121.050 121.223 0.125 0.000 2.027 11 L HA -0.168 4.172 4.340 0.000 0.000 0.206 11 L C 2.510 179.480 176.870 0.166 0.000 1.074 11 L CA 1.766 56.705 54.840 0.165 0.000 0.745 11 L CB -0.684 41.448 42.059 0.122 0.000 0.898 11 L HN 0.217 nan 8.230 nan 0.000 0.433 12 K N -1.102 119.387 120.400 0.147 0.000 2.103 12 K HA -0.086 4.234 4.320 0.000 0.000 0.204 12 K C -0.461 176.240 176.600 0.169 0.000 1.052 12 K CA 0.728 57.091 56.287 0.127 0.000 0.945 12 K CB -0.724 31.865 32.500 0.148 0.000 0.722 12 K HN 0.184 nan 8.250 nan 0.000 0.443 13 P HA -0.231 nan 4.420 nan 0.000 0.213 13 P C 1.168 178.554 177.300 0.142 0.000 1.176 13 P CA 1.091 64.378 63.100 0.312 0.000 0.919 13 P CB 0.062 31.862 31.700 0.166 0.000 0.791 14 L N -0.483 120.774 121.223 0.057 0.000 2.042 14 L HA -0.213 4.127 4.340 0.000 0.000 0.210 14 L C 2.573 179.206 176.870 -0.395 0.000 1.076 14 L CA 1.841 56.633 54.840 -0.079 0.000 0.749 14 L CB -1.603 40.474 42.059 0.031 0.000 0.893 14 L HN 0.039 nan 8.230 nan 0.000 0.432 15 Q N -1.500 118.050 119.800 -0.416 0.000 2.084 15 Q HA -0.286 4.054 4.340 0.000 0.000 0.202 15 Q C 2.230 178.055 176.000 -0.292 0.000 0.978 15 Q CA 1.792 57.289 55.803 -0.509 0.000 0.844 15 Q CB -0.006 28.601 28.738 -0.219 0.000 0.898 15 Q HN 0.447 nan 8.270 nan 0.000 0.426 16 Q N -0.231 119.457 119.800 -0.187 0.000 2.046 16 Q HA -0.078 4.262 4.340 0.000 0.000 0.200 16 Q C 1.933 177.885 176.000 -0.079 0.000 0.975 16 Q CA 1.481 57.176 55.803 -0.179 0.000 0.836 16 Q CB -0.236 28.324 28.738 -0.297 0.000 0.896 16 Q HN 0.285 nan 8.270 nan 0.000 0.428 17 V N -0.096 119.808 119.914 -0.016 0.000 2.626 17 V HA -0.153 3.967 4.120 0.000 0.000 0.252 17 V C 1.643 177.734 176.094 -0.005 0.000 1.067 17 V CA 1.821 64.141 62.300 0.033 0.000 1.081 17 V CB -0.235 31.626 31.823 0.063 0.000 0.686 17 V HN 0.303 nan 8.190 nan 0.000 0.468 18 S N 0.165 115.808 115.700 -0.095 0.000 2.607 18 S HA 0.038 4.508 4.470 0.000 0.000 0.224 18 S C 1.881 176.444 174.600 -0.062 0.000 0.969 18 S CA 0.632 58.777 58.200 -0.092 0.000 0.927 18 S CB 0.106 63.176 63.200 -0.217 0.000 0.772 18 S HN 0.691 nan 8.310 nan 0.000 0.533 19 G N 3.436 112.201 108.800 -0.058 0.000 2.414 19 G HA2 -0.124 3.836 3.960 0.000 0.000 0.215 19 G HA3 -0.124 3.836 3.960 0.000 0.000 0.215 19 G C -0.427 174.476 174.900 0.004 0.000 1.188 19 G CA 0.517 45.593 45.100 -0.040 0.000 0.783 19 G HN 0.464 nan 8.290 nan 0.000 0.537 20 P HA 0.026 nan 4.420 nan 0.000 0.225 20 P C 0.202 177.534 177.300 0.054 0.000 1.148 20 P CA 0.322 63.463 63.100 0.070 0.000 0.779 20 P CB 0.040 31.808 31.700 0.113 0.000 0.780 21 L N -0.242 121.009 121.223 0.046 0.000 2.367 21 L HA 0.413 4.753 4.340 0.000 0.000 0.275 21 L C 1.585 178.476 176.870 0.034 0.000 1.129 21 L CA 1.188 56.056 54.840 0.046 0.000 0.839 21 L CB 0.381 42.471 42.059 0.052 0.000 1.133 21 L HN 0.093 nan 8.230 nan 0.000 0.453 22 G N 1.433 110.252 108.800 0.032 0.000 4.169 22 G HA2 0.040 4.000 3.960 0.000 0.000 0.120 22 G HA3 0.040 4.000 3.960 0.000 0.000 0.120 22 G C 0.588 175.501 174.900 0.023 0.000 1.133 22 G CA -0.016 45.100 45.100 0.027 0.000 1.098 22 G HN 0.795 nan 8.290 nan 0.000 0.379 23 G N 1.209 110.021 108.800 0.021 0.000 2.577 23 G HA2 0.315 4.275 3.960 0.000 0.000 0.290 23 G HA3 0.315 4.275 3.960 0.000 0.000 0.290 23 G C 0.726 175.633 174.900 0.013 0.000 0.703 23 G CA 1.014 46.124 45.100 0.016 0.000 2.032 23 G HN 0.890 nan 8.290 nan 0.000 0.508 24 R N 1.154 121.662 120.500 0.014 0.000 3.109 24 R HA -0.156 4.185 4.340 0.000 0.000 0.241 24 R C -1.687 174.620 176.300 0.011 0.000 0.882 24 R CA 0.424 56.532 56.100 0.013 0.000 0.604 24 R CB -0.682 29.624 30.300 0.010 0.000 1.040 24 R HN 0.466 nan 8.270 nan 0.000 0.480 25 P HA -0.010 nan 4.420 nan 0.000 0.262 25 P C 0.442 177.747 177.300 0.008 0.000 1.455 25 P CA 0.257 63.363 63.100 0.010 0.000 1.217 25 P CB 0.849 32.560 31.700 0.019 0.000 1.625 26 T N 1.850 116.405 114.554 0.001 0.000 2.746 26 T HA -0.138 4.213 4.350 0.000 0.000 0.267 26 T C 0.980 175.678 174.700 -0.002 0.000 1.039 26 T CA 0.550 62.650 62.100 0.000 0.000 1.142 26 T CB -0.327 68.540 68.868 -0.003 0.000 0.866 26 T HN 0.218 nan 8.240 nan 0.000 0.444 27 L N 5.138 126.355 121.223 -0.011 0.000 2.385 27 L HA 0.254 4.595 4.340 0.000 0.000 0.285 27 L C -1.356 175.508 176.870 -0.009 0.000 1.125 27 L CA -2.198 52.632 54.840 -0.017 0.000 0.890 27 L CB 0.553 42.591 42.059 -0.035 0.000 1.251 27 L HN -0.142 nan 8.230 nan 0.000 0.445 28 P HA -0.252 nan 4.420 nan 0.000 0.217 28 P C 1.632 178.953 177.300 0.035 0.000 1.148 28 P CA 1.407 64.520 63.100 0.021 0.000 0.828 28 P CB 0.269 31.984 31.700 0.025 0.000 0.783 29 I N -1.149 119.439 120.570 0.030 0.000 2.700 29 I HA -0.186 3.984 4.170 0.000 0.000 0.261 29 I C 1.727 177.881 176.117 0.061 0.000 1.219 29 I CA 0.745 62.086 61.300 0.067 0.000 1.463 29 I CB -0.260 37.772 38.000 0.053 0.000 1.092 29 I HN -0.199 nan 8.210 nan 0.000 0.452 30 L N 0.499 121.717 121.223 -0.008 0.000 2.465 30 L HA 0.049 4.389 4.340 0.000 0.000 0.224 30 L C 2.212 179.126 176.870 0.074 0.000 1.145 30 L CA 1.234 56.070 54.840 -0.007 0.000 0.834 30 L CB -1.364 40.669 42.059 -0.043 0.000 0.944 30 L HN 0.283 nan 8.230 nan 0.000 0.451 31 G N -1.649 107.200 108.800 0.082 0.000 3.233 31 G HA2 -0.003 3.957 3.960 0.000 0.000 0.227 31 G HA3 -0.003 3.957 3.960 0.000 0.000 0.227 31 G C 0.435 175.405 174.900 0.117 0.000 1.175 31 G CA -0.139 45.014 45.100 0.089 0.000 0.781 31 G HN 0.301 nan 8.290 nan 0.000 0.542 32 N N -0.665 118.134 118.700 0.166 0.000 2.381 32 N HA 0.689 5.429 4.740 0.000 0.000 0.294 32 N C -0.806 174.831 175.510 0.213 0.000 1.216 32 N CA -0.564 52.589 53.050 0.173 0.000 0.803 32 N CB 1.940 40.534 38.487 0.180 0.000 1.372 32 N HN -0.109 nan 8.380 nan 0.000 0.500 33 L N 0.689 121.958 121.223 0.076 0.000 2.330 33 L HA 0.562 4.902 4.340 0.000 0.000 0.271 33 L C -0.906 175.786 176.870 -0.295 0.000 1.013 33 L CA -1.129 53.684 54.840 -0.045 0.000 0.816 33 L CB 1.570 43.641 42.059 0.020 0.000 1.287 33 L HN 0.245 nan 8.230 nan 0.000 0.435 34 L N 2.646 123.513 121.223 -0.593 0.000 2.272 34 L HA 0.500 4.840 4.340 0.000 0.000 0.289 34 L C -0.996 175.683 176.870 -0.319 0.000 1.032 34 L CA -0.094 54.368 54.840 -0.628 0.000 0.810 34 L CB 1.163 42.603 42.059 -1.031 0.000 1.205 34 L HN 0.340 nan 8.230 nan 0.000 0.422 35 L N 5.219 126.310 121.223 -0.219 0.000 2.307 35 L HA 0.568 4.908 4.340 0.000 0.000 0.284 35 L C -0.458 176.334 176.870 -0.130 0.000 1.023 35 L CA 0.116 54.866 54.840 -0.150 0.000 0.810 35 L CB 1.710 43.713 42.059 -0.094 0.000 1.231 35 L HN 0.630 nan 8.230 nan 0.000 0.423 36 Q N 2.741 122.460 119.800 -0.136 0.000 2.304 36 Q HA 0.606 4.946 4.340 0.000 0.000 0.270 36 Q C -1.424 174.506 176.000 -0.117 0.000 1.035 36 Q CA -0.700 55.043 55.803 -0.100 0.000 0.781 36 Q CB 3.063 31.747 28.738 -0.090 0.000 1.261 36 Q HN 0.303 nan 8.270 nan 0.000 0.444 37 V N 1.611 121.485 119.914 -0.067 0.000 2.398 37 V HA 0.886 5.006 4.120 0.000 0.000 0.286 37 V C -0.531 175.560 176.094 -0.005 0.000 1.026 37 V CA -0.380 61.883 62.300 -0.061 0.000 0.868 37 V CB 1.311 33.154 31.823 0.033 0.000 0.982 37 V HN 0.850 nan 8.190 nan 0.000 0.443 38 A N 3.557 126.369 122.820 -0.014 0.000 2.540 38 A HA 0.732 5.052 4.320 0.000 0.000 0.297 38 A C -0.432 177.161 177.584 0.015 0.000 1.056 38 A CA 0.195 52.239 52.037 0.012 0.000 0.700 38 A CB 1.508 20.500 19.000 -0.013 0.000 1.280 38 A HN 1.151 nan 8.150 nan 0.000 0.398 39 D N 0.832 121.265 120.400 0.055 0.000 3.507 39 D HA -0.093 4.547 4.640 0.000 0.000 0.195 39 D C 0.628 177.007 176.300 0.131 0.000 1.323 39 D CA 2.582 56.620 54.000 0.063 0.000 1.106 39 D CB -1.244 39.558 40.800 0.003 0.000 0.619 39 D HN 1.648 nan 8.370 nan 0.000 0.732 40 G N -0.421 108.399 108.800 0.035 0.000 4.699 40 G HA2 0.549 4.509 3.960 0.000 0.000 0.308 40 G HA3 0.549 4.509 3.960 0.000 0.000 0.308 40 G C -0.765 173.997 174.900 -0.231 0.000 1.399 40 G CA 0.380 45.384 45.100 -0.160 0.000 1.221 40 G HN 0.433 nan 8.290 nan 0.000 0.596 41 T N 1.469 115.896 114.554 -0.213 0.000 3.011 41 T HA 0.316 4.666 4.350 0.000 0.000 0.303 41 T C -0.757 173.807 174.700 -0.226 0.000 0.997 41 T CA -0.492 61.489 62.100 -0.199 0.000 1.007 41 T CB 1.880 70.667 68.868 -0.135 0.000 1.017 41 T HN 0.152 nan 8.240 nan 0.000 0.443 42 L N 3.445 124.496 121.223 -0.286 0.000 2.276 42 L HA 0.590 4.930 4.340 0.000 0.000 0.286 42 L C -0.362 176.363 176.870 -0.241 0.000 1.061 42 L CA -0.078 54.554 54.840 -0.347 0.000 0.807 42 L CB 0.897 42.617 42.059 -0.566 0.000 1.177 42 L HN 0.618 nan 8.230 nan 0.000 0.429 43 S N 5.942 121.526 115.700 -0.195 0.000 2.501 43 S HA 0.675 5.146 4.470 0.000 0.000 0.301 43 S C -0.571 173.948 174.600 -0.135 0.000 1.096 43 S CA -0.714 57.400 58.200 -0.145 0.000 1.063 43 S CB 1.904 65.036 63.200 -0.114 0.000 1.042 43 S HN 0.410 nan 8.310 nan 0.000 0.494 44 L N 2.538 123.706 121.223 -0.092 0.000 2.346 44 L HA 0.645 4.985 4.340 0.000 0.000 0.276 44 L C -0.110 176.727 176.870 -0.054 0.000 1.006 44 L CA -0.450 54.348 54.840 -0.070 0.000 0.817 44 L CB 1.407 43.466 42.059 -0.000 0.000 1.272 44 L HN 0.584 nan 8.230 nan 0.000 0.421 45 T N 0.945 115.438 114.554 -0.101 0.000 2.876 45 T HA 0.785 5.135 4.350 0.000 0.000 0.289 45 T C -0.013 174.707 174.700 0.033 0.000 1.014 45 T CA -0.667 61.414 62.100 -0.032 0.000 0.986 45 T CB 2.429 71.263 68.868 -0.057 0.000 1.021 45 T HN 0.844 nan 8.240 nan 0.000 0.458 46 G N 0.406 109.299 108.800 0.155 0.000 2.638 46 G HA2 0.642 4.602 3.960 0.000 0.000 0.302 46 G HA3 0.642 4.602 3.960 0.000 0.000 0.302 46 G C -1.190 173.847 174.900 0.227 0.000 1.365 46 G CA -0.530 44.710 45.100 0.235 0.000 0.987 46 G HN 0.758 nan 8.290 nan 0.000 0.495 47 T N -0.637 114.046 114.554 0.216 0.000 2.883 47 T HA 0.493 4.843 4.350 0.000 0.000 0.301 47 T C -0.889 173.834 174.700 0.038 0.000 1.158 47 T CA -0.419 61.741 62.100 0.100 0.000 1.007 47 T CB 1.916 70.814 68.868 0.050 0.000 1.186 47 T HN 0.582 nan 8.240 nan 0.000 0.499 48 D N 3.205 123.617 120.400 0.019 0.000 2.538 48 D HA 0.199 4.840 4.640 0.000 0.000 0.231 48 D C 1.266 177.550 176.300 -0.027 0.000 1.229 48 D CA -0.383 53.617 54.000 0.001 0.000 0.828 48 D CB 0.108 40.921 40.800 0.022 0.000 1.035 48 D HN 0.331 nan 8.370 nan 0.000 0.495 49 L N -0.160 121.032 121.223 -0.052 0.000 4.977 49 L HA -0.278 4.062 4.340 0.000 0.000 0.398 49 L C 1.246 178.087 176.870 -0.049 0.000 0.818 49 L CA 1.644 56.446 54.840 -0.064 0.000 2.090 49 L CB -1.263 40.757 42.059 -0.065 0.000 1.320 49 L HN 0.273 nan 8.230 nan 0.000 0.615 50 E N -0.910 119.270 120.200 -0.035 0.000 2.389 50 E HA 0.227 4.577 4.350 0.000 0.000 0.199 50 E C 0.887 177.450 176.600 -0.061 0.000 0.978 50 E CA 0.893 57.268 56.400 -0.042 0.000 0.912 50 E CB 0.397 30.086 29.700 -0.018 0.000 0.907 50 E HN 0.642 nan 8.360 nan 0.000 0.494 51 M N -0.882 118.692 119.600 -0.042 0.000 2.622 51 M HA 0.566 5.046 4.480 0.000 0.000 0.276 51 M C -1.471 174.813 176.300 -0.027 0.000 1.265 51 M CA -0.791 54.459 55.300 -0.083 0.000 0.850 51 M CB 2.963 35.578 32.600 0.025 0.000 1.720 51 M HN -0.265 nan 8.290 nan 0.000 0.465 52 E N 1.542 121.699 120.200 -0.071 0.000 2.343 52 E HA 0.646 4.996 4.350 0.000 0.000 0.278 52 E C -2.221 174.423 176.600 0.074 0.000 0.910 52 E CA -0.691 55.724 56.400 0.025 0.000 0.757 52 E CB 3.020 32.723 29.700 0.006 0.000 1.218 52 E HN 0.807 nan 8.360 nan 0.000 0.435 53 M N 4.387 124.084 119.600 0.161 0.000 2.197 53 M HA 0.433 4.914 4.480 0.000 0.000 0.301 53 M C -2.136 174.257 176.300 0.156 0.000 0.987 53 M CA -0.514 54.916 55.300 0.217 0.000 0.921 53 M CB 1.730 34.466 32.600 0.226 0.000 1.569 53 M HN 0.258 nan 8.290 nan 0.000 0.431 54 V N 3.904 123.904 119.914 0.143 0.000 2.555 54 V HA 0.991 5.111 4.120 0.000 0.000 0.302 54 V C -0.470 175.678 176.094 0.090 0.000 1.038 54 V CA -0.699 61.651 62.300 0.084 0.000 0.887 54 V CB 1.521 33.365 31.823 0.036 0.000 0.991 54 V HN 0.947 nan 8.190 nan 0.000 0.434 55 A N 4.514 127.344 122.820 0.018 0.000 2.414 55 A HA 0.955 5.275 4.320 0.000 0.000 0.306 55 A C -0.733 176.739 177.584 -0.188 0.000 1.054 55 A CA -0.834 51.122 52.037 -0.134 0.000 0.724 55 A CB 1.663 20.668 19.000 0.008 0.000 1.267 55 A HN 0.785 nan 8.150 nan 0.000 0.418 56 R N -0.049 120.280 120.500 -0.285 0.000 2.494 56 R HA 0.602 4.942 4.340 0.000 0.000 0.305 56 R C -0.758 175.408 176.300 -0.224 0.000 0.959 56 R CA -0.482 55.489 56.100 -0.216 0.000 0.864 56 R CB 2.078 32.265 30.300 -0.189 0.000 1.159 56 R HN 0.905 nan 8.270 nan 0.000 0.446 57 V N 0.037 119.837 119.914 -0.189 0.000 2.540 57 V HA 0.912 5.032 4.120 0.000 0.000 0.302 57 V C -0.168 175.822 176.094 -0.173 0.000 1.035 57 V CA -1.058 61.142 62.300 -0.168 0.000 0.873 57 V CB 1.778 33.538 31.823 -0.106 0.000 0.992 57 V HN 0.835 nan 8.190 nan 0.000 0.428 58 A N 5.577 128.301 122.820 -0.160 0.000 2.340 58 A HA 0.771 5.091 4.320 0.000 0.000 0.268 58 A C -0.551 176.954 177.584 -0.133 0.000 1.100 58 A CA -0.458 51.490 52.037 -0.148 0.000 0.803 58 A CB 0.522 19.450 19.000 -0.121 0.000 1.043 58 A HN 0.919 nan 8.150 nan 0.000 0.488 59 L N 3.320 124.444 121.223 -0.166 0.000 2.295 59 L HA 0.268 4.608 4.340 0.000 0.000 0.281 59 L C 1.077 177.913 176.870 -0.056 0.000 1.018 59 L CA 0.118 54.865 54.840 -0.155 0.000 0.841 59 L CB 0.745 42.563 42.059 -0.401 0.000 1.218 59 L HN 0.599 nan 8.230 nan 0.000 0.424 60 V N 3.585 123.513 119.914 0.024 0.000 2.878 60 V HA 0.075 4.195 4.120 0.000 0.000 0.250 60 V C 1.267 177.428 176.094 0.111 0.000 1.075 60 V CA 0.999 63.338 62.300 0.065 0.000 1.096 60 V CB 0.327 32.183 31.823 0.054 0.000 0.724 60 V HN 0.838 nan 8.190 nan 0.000 0.467 61 Q N 0.405 120.285 119.800 0.134 0.000 2.237 61 Q HA 0.332 4.672 4.340 0.000 0.000 0.219 61 Q C -2.348 173.801 176.000 0.248 0.000 0.999 61 Q CA -1.835 54.060 55.803 0.153 0.000 0.959 61 Q CB 0.641 29.460 28.738 0.136 0.000 1.173 61 Q HN 0.283 nan 8.270 nan 0.000 0.527 62 P HA 0.022 nan 4.420 nan 0.000 0.271 62 P C -1.338 176.089 177.300 0.213 0.000 1.216 62 P CA 0.403 63.579 63.100 0.126 0.000 0.776 62 P CB 0.520 32.248 31.700 0.046 0.000 0.881 63 H N 0.318 119.428 119.070 0.067 0.000 2.990 63 H HA 0.603 5.159 4.556 0.000 0.000 0.343 63 H C -1.357 174.012 175.328 0.067 0.000 1.270 63 H CA -0.931 55.173 56.048 0.093 0.000 1.118 63 H CB 1.880 31.712 29.762 0.116 0.000 1.861 63 H HN 0.379 nan 8.280 nan 0.000 0.544 64 E N 1.599 121.910 120.200 0.186 0.000 2.308 64 E HA 0.328 4.678 4.350 0.000 0.000 0.275 64 E C -3.011 173.669 176.600 0.133 0.000 0.890 64 E CA -2.156 54.297 56.400 0.088 0.000 0.754 64 E CB 3.409 33.142 29.700 0.055 0.000 1.207 64 E HN 0.350 nan 8.360 nan 0.000 0.426 65 P HA 0.419 nan 4.420 nan 0.000 0.274 65 P C -0.083 177.254 177.300 0.062 0.000 1.246 65 P CA 0.228 63.379 63.100 0.085 0.000 0.795 65 P CB 1.244 32.980 31.700 0.061 0.000 1.006 66 G N -1.212 107.616 108.800 0.047 0.000 2.369 66 G HA2 0.492 4.452 3.960 0.000 0.000 0.293 66 G HA3 0.492 4.452 3.960 0.000 0.000 0.293 66 G C -2.136 172.776 174.900 0.020 0.000 1.301 66 G CA -0.040 45.080 45.100 0.032 0.000 0.913 66 G HN 0.623 nan 8.290 nan 0.000 0.540 67 A N -1.264 121.561 122.820 0.008 0.000 2.572 67 A HA 1.046 5.366 4.320 0.000 0.000 0.295 67 A C -0.293 177.281 177.584 -0.017 0.000 1.072 67 A CA 0.405 52.432 52.037 -0.016 0.000 0.691 67 A CB 1.933 20.917 19.000 -0.026 0.000 1.291 67 A HN 2.187 nan 8.150 nan 0.000 0.404 68 T N -0.587 113.942 114.554 -0.041 0.000 2.700 68 T HA 0.642 4.992 4.350 0.000 0.000 0.307 68 T C -1.600 173.050 174.700 -0.083 0.000 1.580 68 T CA 0.012 62.088 62.100 -0.040 0.000 0.992 68 T CB 1.594 70.445 68.868 -0.029 0.000 1.577 68 T HN 0.911 nan 8.240 nan 0.000 0.496 69 T N 2.028 116.545 114.554 -0.062 0.000 2.906 69 T HA 0.611 4.961 4.350 0.000 0.000 0.302 69 T C -0.178 174.493 174.700 -0.049 0.000 1.002 69 T CA -0.514 61.542 62.100 -0.073 0.000 0.988 69 T CB 0.742 69.612 68.868 0.003 0.000 0.972 69 T HN 0.710 nan 8.240 nan 0.000 0.447 70 V N 2.308 122.171 119.914 -0.087 0.000 2.966 70 V HA 0.698 4.818 4.120 0.000 0.000 0.317 70 V C -2.774 173.324 176.094 0.007 0.000 1.070 70 V CA -3.335 58.916 62.300 -0.081 0.000 1.008 70 V CB 0.816 32.496 31.823 -0.239 0.000 1.070 70 V HN 0.468 nan 8.190 nan 0.000 0.457 71 P HA 0.267 nan 4.420 nan 0.000 0.271 71 P C 0.465 177.851 177.300 0.143 0.000 1.226 71 P CA 0.352 63.505 63.100 0.089 0.000 0.765 71 P CB 1.132 32.880 31.700 0.081 0.000 0.835 72 A N 4.993 127.901 122.820 0.146 0.000 1.855 72 A HA -0.197 4.123 4.320 0.000 0.000 0.215 72 A C 2.222 179.939 177.584 0.220 0.000 1.191 72 A CA 1.406 53.553 52.037 0.184 0.000 0.613 72 A CB -0.880 18.199 19.000 0.132 0.000 0.829 72 A HN 0.447 nan 8.150 nan 0.000 0.442 73 R N -0.291 120.313 120.500 0.173 0.000 2.081 73 R HA -0.114 4.226 4.340 0.000 0.000 0.235 73 R C 2.205 178.604 176.300 0.165 0.000 1.131 73 R CA 1.780 57.991 56.100 0.186 0.000 0.960 73 R CB -0.212 30.165 30.300 0.128 0.000 0.856 73 R HN 0.517 nan 8.270 nan 0.000 0.436 74 K N -0.618 119.861 120.400 0.132 0.000 2.057 74 K HA -0.169 4.151 4.320 0.000 0.000 0.207 74 K C 1.886 178.560 176.600 0.124 0.000 1.049 74 K CA 1.473 57.816 56.287 0.092 0.000 0.931 74 K CB -0.252 32.302 32.500 0.090 0.000 0.714 74 K HN 0.104 nan 8.250 nan 0.000 0.440 75 F N 0.784 120.755 119.950 0.035 0.000 2.186 75 F HA -0.147 4.381 4.527 0.000 0.000 0.299 75 F C 1.923 177.774 175.800 0.084 0.000 1.090 75 F CA 0.734 58.753 58.000 0.032 0.000 1.307 75 F CB -0.389 38.656 39.000 0.075 0.000 1.019 75 F HN -0.063 nan 8.300 nan 0.000 0.489 76 F N 1.615 121.531 119.950 -0.057 0.000 2.069 76 F HA -0.206 4.321 4.527 0.000 0.000 0.298 76 F C 2.234 177.932 175.800 -0.170 0.000 1.113 76 F CA 2.120 60.029 58.000 -0.151 0.000 1.214 76 F CB -1.008 37.967 39.000 -0.041 0.000 0.978 76 F HN -0.057 nan 8.300 nan 0.000 0.474 77 D N 0.409 120.623 120.400 -0.310 0.000 2.117 77 D HA -0.182 4.458 4.640 0.000 0.000 0.197 77 D C 2.541 178.632 176.300 -0.348 0.000 0.987 77 D CA 1.688 55.470 54.000 -0.363 0.000 0.829 77 D CB -0.533 40.156 40.800 -0.186 0.000 0.961 77 D HN 0.343 nan 8.370 nan 0.000 0.460 78 I N 0.603 120.964 120.570 -0.349 0.000 2.127 78 I HA -0.332 3.839 4.170 0.000 0.000 0.241 78 I C 2.428 178.303 176.117 -0.403 0.000 1.075 78 I CA 0.943 61.944 61.300 -0.499 0.000 1.334 78 I CB -0.242 37.356 38.000 -0.670 0.000 1.040 78 I HN 0.096 nan 8.210 nan 0.000 0.405 79 C N -0.028 119.027 119.300 -0.409 0.000 2.453 79 C HA -0.133 4.327 4.460 0.000 0.000 0.277 79 C C 2.914 177.741 174.990 -0.271 0.000 1.262 79 C CA 0.586 59.408 59.018 -0.327 0.000 1.718 79 C CB -1.227 26.285 27.740 -0.380 0.000 2.031 79 C HN 0.458 nan 8.230 nan 0.000 0.480 80 R N 1.016 121.286 120.500 -0.383 0.000 2.127 80 R HA -0.105 4.235 4.340 0.000 0.000 0.238 80 R C 2.182 178.340 176.300 -0.237 0.000 1.134 80 R CA 1.757 57.646 56.100 -0.351 0.000 0.975 80 R CB -0.541 29.382 30.300 -0.628 0.000 0.865 80 R HN 0.595 nan 8.270 nan 0.000 0.447 81 G N 0.514 109.174 108.800 -0.233 0.000 2.511 81 G HA2 -0.003 3.957 3.960 0.000 0.000 0.217 81 G HA3 -0.003 3.957 3.960 0.000 0.000 0.217 81 G C 0.615 175.462 174.900 -0.089 0.000 1.133 81 G CA -0.057 44.954 45.100 -0.148 0.000 0.792 81 G HN 0.115 nan 8.290 nan 0.000 0.539 82 L N 1.585 122.754 121.223 -0.090 0.000 2.453 82 L HA 0.277 4.617 4.340 0.000 0.000 0.261 82 L C -1.431 175.419 176.870 -0.033 0.000 1.179 82 L CA -1.897 52.925 54.840 -0.029 0.000 0.813 82 L CB 0.839 42.887 42.059 -0.017 0.000 1.110 82 L HN 0.000 nan 8.230 nan 0.000 0.466 83 P HA -0.039 nan 4.420 nan 0.000 0.270 83 P C -0.824 176.460 177.300 -0.026 0.000 1.223 83 P CA -0.370 62.718 63.100 -0.019 0.000 0.785 83 P CB 0.460 32.155 31.700 -0.008 0.000 0.923 84 E N 0.429 120.614 120.200 -0.026 0.000 2.417 84 E HA 0.179 4.529 4.350 0.000 0.000 0.261 84 E C 0.991 177.575 176.600 -0.027 0.000 1.000 84 E CA 0.711 57.095 56.400 -0.027 0.000 0.919 84 E CB -0.760 28.928 29.700 -0.020 0.000 0.955 84 E HN 0.789 nan 8.360 nan 0.000 0.455 85 G N 2.607 111.384 108.800 -0.039 0.000 2.176 85 G HA2 -0.293 3.667 3.960 0.000 0.000 0.253 85 G HA3 -0.293 3.667 3.960 0.000 0.000 0.253 85 G C 0.255 175.131 174.900 -0.041 0.000 0.979 85 G CA 0.005 45.078 45.100 -0.044 0.000 0.641 85 G HN 0.862 nan 8.290 nan 0.000 0.530 86 A N -0.124 122.676 122.820 -0.033 0.000 2.407 86 A HA 0.623 4.944 4.320 0.000 0.000 0.248 86 A C 0.378 177.951 177.584 -0.018 0.000 1.082 86 A CA 0.661 52.687 52.037 -0.018 0.000 0.785 86 A CB 0.443 19.438 19.000 -0.009 0.000 1.020 86 A HN 0.692 nan 8.150 nan 0.000 0.489 87 E N 0.974 121.173 120.200 -0.002 0.000 2.089 87 E HA 0.409 4.759 4.350 0.000 0.000 0.284 87 E C -0.567 176.048 176.600 0.024 0.000 1.023 87 E CA -0.238 56.169 56.400 0.011 0.000 0.819 87 E CB 0.357 30.066 29.700 0.015 0.000 1.076 87 E HN 0.562 nan 8.360 nan 0.000 0.396 88 I N 2.412 123.004 120.570 0.037 0.000 2.377 88 I HA 0.667 4.837 4.170 0.000 0.000 0.293 88 I C -0.919 175.209 176.117 0.018 0.000 0.987 88 I CA -0.495 60.831 61.300 0.045 0.000 1.185 88 I CB 1.825 39.859 38.000 0.056 0.000 1.341 88 I HN 0.457 nan 8.210 nan 0.000 0.455 89 A N 7.071 129.880 122.820 -0.019 0.000 2.258 89 A HA 0.759 5.080 4.320 0.000 0.000 0.316 89 A C -0.710 176.769 177.584 -0.174 0.000 1.279 89 A CA -0.530 51.453 52.037 -0.089 0.000 0.876 89 A CB 0.716 19.690 19.000 -0.043 0.000 1.170 89 A HN 0.644 nan 8.150 nan 0.000 0.520 90 V N 2.317 121.974 119.914 -0.429 0.000 2.769 90 V HA 0.691 4.811 4.120 0.000 0.000 0.312 90 V C -0.059 175.819 176.094 -0.359 0.000 1.058 90 V CA -0.433 61.590 62.300 -0.462 0.000 0.952 90 V CB 1.764 33.045 31.823 -0.903 0.000 1.019 90 V HN 0.980 nan 8.190 nan 0.000 0.445 91 Q N 2.447 122.133 119.800 -0.191 0.000 2.364 91 Q HA 0.431 4.771 4.340 0.000 0.000 0.257 91 Q C -2.138 173.828 176.000 -0.057 0.000 0.956 91 Q CA -0.734 55.010 55.803 -0.099 0.000 0.924 91 Q CB 2.140 30.838 28.738 -0.065 0.000 1.413 91 Q HN 0.677 nan 8.270 nan 0.000 0.418 92 L N 3.541 124.748 121.223 -0.028 0.000 2.281 92 L HA 0.399 4.739 4.340 0.000 0.000 0.285 92 L C -0.902 175.962 176.870 -0.009 0.000 1.074 92 L CA 0.573 55.403 54.840 -0.016 0.000 0.817 92 L CB 1.095 43.153 42.059 -0.002 0.000 1.168 92 L HN 0.601 nan 8.230 nan 0.000 0.434 93 E N 5.163 125.358 120.200 -0.008 0.000 2.103 93 E HA 0.450 4.800 4.350 0.000 0.000 0.254 93 E C 0.746 177.346 176.600 -0.000 0.000 0.940 93 E CA 0.184 56.582 56.400 -0.004 0.000 0.771 93 E CB 0.607 30.304 29.700 -0.004 0.000 1.153 93 E HN 1.006 nan 8.360 nan 0.000 0.428 94 G N 3.963 112.764 108.800 0.002 0.000 2.601 94 G HA2 -0.441 3.519 3.960 0.000 0.000 0.306 94 G HA3 -0.441 3.519 3.960 0.000 0.000 0.306 94 G C 0.759 175.662 174.900 0.004 0.000 1.172 94 G CA 0.622 45.725 45.100 0.004 0.000 0.966 94 G HN 0.579 nan 8.290 nan 0.000 0.542 95 E N 1.205 121.408 120.200 0.006 0.000 2.476 95 E HA 0.250 4.600 4.350 0.000 0.000 0.196 95 E C 0.813 177.417 176.600 0.006 0.000 1.029 95 E CA -0.138 56.266 56.400 0.007 0.000 0.896 95 E CB 0.098 29.804 29.700 0.010 0.000 1.012 95 E HN 0.438 nan 8.360 nan 0.000 0.475 96 R N 0.615 121.118 120.500 0.004 0.000 2.670 96 R HA 0.380 4.721 4.340 0.000 0.000 0.289 96 R C -0.716 175.583 176.300 -0.003 0.000 0.965 96 R CA -0.792 55.312 56.100 0.006 0.000 0.899 96 R CB 1.885 32.193 30.300 0.012 0.000 1.173 96 R HN 0.131 nan 8.270 nan 0.000 0.456 97 M N 3.337 122.931 119.600 -0.010 0.000 2.113 97 M HA 0.233 4.713 4.480 0.000 0.000 0.352 97 M C -1.213 175.089 176.300 0.003 0.000 1.170 97 M CA -0.873 54.411 55.300 -0.027 0.000 1.053 97 M CB 0.640 33.196 32.600 -0.073 0.000 1.601 97 M HN 0.333 nan 8.290 nan 0.000 0.459 98 L N 6.184 127.406 121.223 -0.002 0.000 2.281 98 L HA 0.356 4.696 4.340 0.000 0.000 0.285 98 L C -0.786 176.105 176.870 0.036 0.000 1.074 98 L CA 0.073 54.927 54.840 0.023 0.000 0.817 98 L CB 1.366 43.425 42.059 -0.000 0.000 1.168 98 L HN 0.429 nan 8.230 nan 0.000 0.434 99 V N 5.537 125.530 119.914 0.131 0.000 2.357 99 V HA 0.544 4.665 4.120 0.000 0.000 0.284 99 V C 0.020 176.228 176.094 0.191 0.000 1.018 99 V CA -0.732 61.679 62.300 0.185 0.000 0.841 99 V CB 1.219 33.239 31.823 0.328 0.000 0.991 99 V HN 0.644 nan 8.190 nan 0.000 0.437 100 R N 2.824 123.381 120.500 0.096 0.000 2.599 100 R HA 0.782 5.122 4.340 0.000 0.000 0.295 100 R C -0.742 175.596 176.300 0.064 0.000 0.963 100 R CA -0.482 55.654 56.100 0.059 0.000 0.883 100 R CB 2.220 32.523 30.300 0.006 0.000 1.171 100 R HN 0.623 nan 8.270 nan 0.000 0.450 101 S N 1.269 117.009 115.700 0.067 0.000 2.720 101 S HA 0.538 5.008 4.470 0.000 0.000 0.278 101 S C 0.405 175.024 174.600 0.032 0.000 1.172 101 S CA 0.385 58.618 58.200 0.055 0.000 1.019 101 S CB 1.183 64.434 63.200 0.085 0.000 1.049 101 S HN 0.952 nan 8.310 nan 0.000 0.483 102 G N 5.384 114.192 108.800 0.014 0.000 2.620 102 G HA2 -0.371 3.589 3.960 0.000 0.000 0.315 102 G HA3 -0.371 3.589 3.960 0.000 0.000 0.315 102 G C 0.391 175.285 174.900 -0.011 0.000 1.179 102 G CA 1.025 46.127 45.100 0.003 0.000 0.971 102 G HN 1.175 nan 8.290 nan 0.000 0.544 103 R N 0.814 121.304 120.500 -0.017 0.000 2.397 103 R HA 0.506 4.846 4.340 0.000 0.000 0.241 103 R C 1.007 177.264 176.300 -0.072 0.000 0.914 103 R CA 0.599 56.677 56.100 -0.037 0.000 1.071 103 R CB -0.825 29.459 30.300 -0.027 0.000 1.116 103 R HN 0.571 nan 8.270 nan 0.000 0.524 104 S N 0.860 116.513 115.700 -0.078 0.000 2.616 104 S HA 0.580 5.050 4.470 0.000 0.000 0.277 104 S C -0.475 173.928 174.600 -0.329 0.000 1.234 104 S CA -0.783 57.288 58.200 -0.216 0.000 1.028 104 S CB 1.863 65.016 63.200 -0.079 0.000 0.988 104 S HN 0.301 nan 8.310 nan 0.000 0.522 105 R N 0.906 121.011 120.500 -0.658 0.000 2.584 105 R HA 0.582 4.923 4.340 0.000 0.000 0.276 105 R C -2.152 173.668 176.300 -0.800 0.000 1.046 105 R CA -0.491 55.328 56.100 -0.469 0.000 0.906 105 R CB 0.920 31.070 30.300 -0.250 0.000 1.215 105 R HN 0.621 nan 8.270 nan 0.000 0.449 106 F N 0.692 120.651 119.950 0.016 0.000 2.576 106 F HA 0.487 5.015 4.527 0.000 0.000 0.313 106 F C -0.316 175.497 175.800 0.021 0.000 1.078 106 F CA -0.807 57.208 58.000 0.025 0.000 0.921 106 F CB 2.834 41.862 39.000 0.046 0.000 1.232 106 F HN 0.273 nan 8.300 nan 0.000 0.459 107 S N 3.559 119.365 115.700 0.177 0.000 2.659 107 S HA 0.670 5.140 4.470 0.000 0.000 0.312 107 S C -1.205 173.458 174.600 0.106 0.000 1.114 107 S CA -0.593 57.670 58.200 0.106 0.000 1.063 107 S CB 1.093 64.326 63.200 0.056 0.000 0.996 107 S HN 0.247 nan 8.310 nan 0.000 0.478 108 L N 2.970 124.243 121.223 0.082 0.000 2.331 108 L HA 0.593 4.933 4.340 0.000 0.000 0.275 108 L C 0.972 177.863 176.870 0.034 0.000 1.022 108 L CA -0.461 54.417 54.840 0.063 0.000 0.812 108 L CB 1.520 43.610 42.059 0.052 0.000 1.257 108 L HN 0.790 nan 8.230 nan 0.000 0.435 109 S N 0.788 116.508 115.700 0.034 0.000 2.624 109 S HA 0.594 5.064 4.470 0.000 0.000 0.263 109 S C 0.141 174.750 174.600 0.015 0.000 1.287 109 S CA -0.424 57.791 58.200 0.025 0.000 0.990 109 S CB 1.270 64.488 63.200 0.030 0.000 0.950 109 S HN 0.637 nan 8.310 nan 0.000 0.561 110 T N 1.048 115.609 114.554 0.013 0.000 2.900 110 T HA 0.614 4.964 4.350 0.000 0.000 0.295 110 T C -1.412 173.301 174.700 0.022 0.000 1.044 110 T CA -0.515 61.589 62.100 0.006 0.000 0.995 110 T CB 1.120 69.987 68.868 -0.002 0.000 1.072 110 T HN 0.458 nan 8.240 nan 0.000 0.473 111 L N 3.821 125.063 121.223 0.032 0.000 2.333 111 L HA 0.683 5.024 4.340 0.000 0.000 0.269 111 L C -2.392 174.507 176.870 0.049 0.000 1.010 111 L CA -2.518 52.350 54.840 0.047 0.000 0.818 111 L CB 1.569 43.669 42.059 0.068 0.000 1.306 111 L HN 0.386 nan 8.230 nan 0.000 0.430 112 P HA 0.221 nan 4.420 nan 0.000 0.275 112 P C -0.199 177.140 177.300 0.065 0.000 1.227 112 P CA -0.246 62.881 63.100 0.045 0.000 0.781 112 P CB 0.771 32.494 31.700 0.039 0.000 0.906 113 A N 3.780 126.626 122.820 0.044 0.000 1.933 113 A HA -0.149 4.171 4.320 0.000 0.000 0.218 113 A C 2.048 179.691 177.584 0.098 0.000 1.175 113 A CA 1.983 54.050 52.037 0.050 0.000 0.628 113 A CB -1.664 17.337 19.000 0.003 0.000 0.814 113 A HN 0.552 nan 8.150 nan 0.000 0.444 114 A N -0.490 122.370 122.820 0.068 0.000 2.225 114 A HA -0.092 4.228 4.320 0.000 0.000 0.215 114 A C 1.184 178.814 177.584 0.077 0.000 1.164 114 A CA 1.697 53.774 52.037 0.066 0.000 0.710 114 A CB -0.405 18.620 19.000 0.042 0.000 0.780 114 A HN 0.454 nan 8.150 nan 0.000 0.473 115 D N -2.080 118.378 120.400 0.096 0.000 2.369 115 D HA 0.167 4.808 4.640 0.000 0.000 0.211 115 D C -0.072 176.277 176.300 0.083 0.000 1.077 115 D CA -0.200 53.843 54.000 0.073 0.000 0.842 115 D CB -0.103 40.731 40.800 0.056 0.000 0.947 115 D HN 0.384 nan 8.370 nan 0.000 0.509 116 F N 2.299 122.252 119.950 0.005 0.000 2.543 116 F HA 0.225 4.752 4.527 0.000 0.000 0.375 116 F C -1.789 174.015 175.800 0.006 0.000 1.075 116 F CA -2.237 55.767 58.000 0.006 0.000 1.225 116 F CB 0.438 39.442 39.000 0.006 0.000 1.099 116 F HN -0.217 nan 8.300 nan 0.000 0.561 117 P HA -0.019 nan 4.420 nan 0.000 0.264 117 P C -1.241 176.004 177.300 -0.093 0.000 1.183 117 P CA 0.212 63.142 63.100 -0.283 0.000 0.763 117 P CB 0.397 31.872 31.700 -0.376 0.000 0.807 118 N N 2.672 121.363 118.700 -0.016 0.000 2.342 118 N HA 0.356 5.096 4.740 0.000 0.000 0.293 118 N C -1.440 174.084 175.510 0.023 0.000 1.026 118 N CA -0.508 52.568 53.050 0.044 0.000 0.857 118 N CB 0.434 38.951 38.487 0.050 0.000 1.256 118 N HN 0.091 nan 8.380 nan 0.000 0.484 119 L N 2.055 123.304 121.223 0.043 0.000 2.334 119 L HA 0.343 4.683 4.340 0.000 0.000 0.277 119 L C 0.586 177.505 176.870 0.083 0.000 1.075 119 L CA -0.436 54.430 54.840 0.044 0.000 0.804 119 L CB 0.713 42.800 42.059 0.045 0.000 1.174 119 L HN 0.499 nan 8.230 nan 0.000 0.438 120 D N 1.530 121.984 120.400 0.089 0.000 2.400 120 D HA -0.025 4.615 4.640 0.000 0.000 0.238 120 D C -0.444 175.985 176.300 0.216 0.000 1.157 120 D CA 0.091 54.161 54.000 0.117 0.000 0.889 120 D CB 0.734 41.589 40.800 0.093 0.000 1.199 120 D HN 0.433 nan 8.370 nan 0.000 0.436 121 D N 0.995 121.471 120.400 0.127 0.000 2.372 121 D HA 0.171 4.811 4.640 0.000 0.000 0.243 121 D C 0.057 176.465 176.300 0.180 0.000 1.121 121 D CA 0.169 54.204 54.000 0.058 0.000 0.898 121 D CB 0.848 41.639 40.800 -0.014 0.000 1.202 121 D HN 0.366 nan 8.370 nan 0.000 0.428 122 W N 0.677 121.966 121.300 -0.019 0.000 2.988 122 W HA 0.429 5.089 4.660 0.000 0.000 0.355 122 W C -1.207 175.302 176.519 -0.015 0.000 1.233 122 W CA -0.738 56.597 57.345 -0.018 0.000 1.176 122 W CB 1.026 30.471 29.460 -0.025 0.000 1.477 122 W HN 0.087 nan 8.180 nan 0.000 0.582 123 Q N 1.270 121.229 119.800 0.265 0.000 2.394 123 Q HA 0.379 4.719 4.340 0.000 0.000 0.273 123 Q C -0.485 175.650 176.000 0.225 0.000 1.089 123 Q CA -0.554 55.288 55.803 0.064 0.000 0.812 123 Q CB 2.983 31.749 28.738 0.046 0.000 1.353 123 Q HN 0.494 nan 8.270 nan 0.000 0.438 124 S N 1.049 116.777 115.700 0.046 0.000 2.585 124 S HA 0.153 4.624 4.470 0.000 0.000 0.273 124 S C 0.405 175.057 174.600 0.086 0.000 1.339 124 S CA 0.307 58.571 58.200 0.105 0.000 1.028 124 S CB 0.699 63.887 63.200 -0.021 0.000 0.906 124 S HN 0.662 nan 8.310 nan 0.000 0.528 125 E N 1.164 121.410 120.200 0.076 0.000 2.879 125 E HA 0.350 4.700 4.350 0.000 0.000 0.206 125 E C -1.122 175.462 176.600 -0.026 0.000 0.969 125 E CA 0.156 56.572 56.400 0.026 0.000 1.496 125 E CB 0.896 30.610 29.700 0.024 0.000 1.454 125 E HN 0.417 nan 8.360 nan 0.000 0.750 126 V N 1.705 121.593 119.914 -0.043 0.000 2.789 126 V HA 0.534 4.655 4.120 0.000 0.000 0.311 126 V C -1.131 174.989 176.094 0.044 0.000 1.073 126 V CA -0.704 61.584 62.300 -0.020 0.000 0.921 126 V CB 1.943 33.697 31.823 -0.115 0.000 1.009 126 V HN 0.098 nan 8.190 nan 0.000 0.426 127 E N 4.219 124.471 120.200 0.087 0.000 2.343 127 E HA 0.713 5.064 4.350 0.000 0.000 0.278 127 E C -1.694 174.981 176.600 0.125 0.000 0.910 127 E CA -0.588 55.815 56.400 0.006 0.000 0.757 127 E CB 3.056 32.745 29.700 -0.018 0.000 1.218 127 E HN 0.564 nan 8.360 nan 0.000 0.435 128 F N -1.609 118.358 119.950 0.029 0.000 2.693 128 F HA 0.651 5.178 4.527 0.000 0.000 0.309 128 F C -0.702 175.121 175.800 0.039 0.000 1.129 128 F CA -1.013 57.004 58.000 0.028 0.000 0.948 128 F CB 1.270 40.290 39.000 0.033 0.000 1.315 128 F HN 0.302 nan 8.300 nan 0.000 0.447 129 T N 0.922 115.587 114.554 0.186 0.000 2.940 129 T HA 0.898 5.248 4.350 0.000 0.000 0.288 129 T C -0.801 174.031 174.700 0.220 0.000 1.033 129 T CA -0.729 61.441 62.100 0.116 0.000 1.033 129 T CB 1.940 70.846 68.868 0.063 0.000 1.079 129 T HN 1.363 nan 8.240 nan 0.000 0.496 130 L N -2.279 119.051 121.223 0.178 0.000 2.622 130 L HA 0.761 5.101 4.340 0.000 0.000 0.258 130 L C -3.334 173.603 176.870 0.111 0.000 0.996 130 L CA -2.861 52.077 54.840 0.163 0.000 0.858 130 L CB 1.228 43.416 42.059 0.216 0.000 1.449 130 L HN 0.339 nan 8.230 nan 0.000 0.411 131 P HA 0.077 nan 4.420 nan 0.000 0.265 131 P C 0.092 177.436 177.300 0.073 0.000 1.187 131 P CA 0.102 63.242 63.100 0.066 0.000 0.766 131 P CB 0.620 32.351 31.700 0.052 0.000 0.820 132 Q N 2.542 122.380 119.800 0.063 0.000 2.077 132 Q HA -0.270 4.070 4.340 0.000 0.000 0.206 132 Q C 2.096 178.128 176.000 0.054 0.000 0.989 132 Q CA 2.077 57.916 55.803 0.060 0.000 0.853 132 Q CB -0.645 28.121 28.738 0.047 0.000 0.907 132 Q HN 0.598 nan 8.270 nan 0.000 0.418 133 A N 0.697 123.544 122.820 0.045 0.000 1.940 133 A HA -0.274 4.046 4.320 0.000 0.000 0.221 133 A C 2.252 179.861 177.584 0.042 0.000 1.190 133 A CA 2.303 54.363 52.037 0.038 0.000 0.647 133 A CB -1.077 17.943 19.000 0.033 0.000 0.821 133 A HN 0.402 nan 8.150 nan 0.000 0.457 134 T N -1.045 113.539 114.554 0.051 0.000 2.821 134 T HA -0.110 4.240 4.350 0.000 0.000 0.267 134 T C 1.875 176.611 174.700 0.061 0.000 1.046 134 T CA 1.737 63.867 62.100 0.049 0.000 1.139 134 T CB -0.216 68.686 68.868 0.057 0.000 0.871 134 T HN 0.427 nan 8.240 nan 0.000 0.454 135 M N 1.169 120.823 119.600 0.089 0.000 2.229 135 M HA 0.109 4.589 4.480 0.000 0.000 0.264 135 M C 1.969 178.316 176.300 0.078 0.000 1.063 135 M CA 1.480 56.849 55.300 0.116 0.000 1.114 135 M CB -0.286 32.401 32.600 0.144 0.000 1.387 135 M HN -0.013 nan 8.290 nan 0.000 0.420 136 K N -0.766 119.667 120.400 0.055 0.000 2.002 136 K HA -0.167 4.153 4.320 0.000 0.000 0.209 136 K C 2.348 178.968 176.600 0.034 0.000 1.048 136 K CA 1.153 57.463 56.287 0.038 0.000 0.930 136 K CB -0.215 32.303 32.500 0.029 0.000 0.714 136 K HN 0.131 nan 8.250 nan 0.000 0.438 137 R N 0.952 121.470 120.500 0.030 0.000 2.083 137 R HA -0.146 4.194 4.340 0.000 0.000 0.237 137 R C 2.243 178.552 176.300 0.014 0.000 1.137 137 R CA 1.272 57.388 56.100 0.027 0.000 0.951 137 R CB -0.857 29.456 30.300 0.022 0.000 0.851 137 R HN 0.192 nan 8.270 nan 0.000 0.434 138 L N 0.876 122.094 121.223 -0.008 0.000 2.013 138 L HA -0.169 4.171 4.340 0.000 0.000 0.212 138 L C 2.365 179.189 176.870 -0.078 0.000 1.073 138 L CA 1.673 56.475 54.840 -0.063 0.000 0.753 138 L CB -0.640 41.376 42.059 -0.072 0.000 0.890 138 L HN 0.182 nan 8.230 nan 0.000 0.432 139 I N -1.257 119.299 120.570 -0.024 0.000 2.235 139 I HA -0.243 3.927 4.170 0.000 0.000 0.241 139 I C 2.304 178.435 176.117 0.022 0.000 1.085 139 I CA 0.888 62.182 61.300 -0.009 0.000 1.378 139 I CB -0.322 37.706 38.000 0.048 0.000 1.076 139 I HN 0.263 nan 8.210 nan 0.000 0.415 140 E N 1.051 121.280 120.200 0.049 0.000 2.147 140 E HA -0.273 4.077 4.350 0.000 0.000 0.199 140 E C 2.164 178.856 176.600 0.153 0.000 1.005 140 E CA 1.442 57.894 56.400 0.087 0.000 0.810 140 E CB -0.240 29.502 29.700 0.069 0.000 0.736 140 E HN 0.536 nan 8.360 nan 0.000 0.460 141 A N 0.651 123.548 122.820 0.128 0.000 2.119 141 A HA -0.090 4.231 4.320 0.000 0.000 0.217 141 A C 2.126 179.891 177.584 0.302 0.000 1.153 141 A CA 1.699 53.870 52.037 0.224 0.000 0.692 141 A CB -0.182 18.899 19.000 0.135 0.000 0.799 141 A HN 0.376 nan 8.150 nan 0.000 0.458 142 T N -4.854 109.748 114.554 0.081 0.000 2.993 142 T HA 0.029 4.380 4.350 0.000 0.000 0.260 142 T C 1.660 176.196 174.700 -0.274 0.000 0.939 142 T CA 0.556 62.558 62.100 -0.164 0.000 0.886 142 T CB -0.295 68.445 68.868 -0.214 0.000 1.209 142 T HN 0.322 nan 8.240 nan 0.000 0.518 143 Q N 1.989 121.747 119.800 -0.070 0.000 2.234 143 Q HA -0.157 4.183 4.340 0.000 0.000 0.206 143 Q C 1.863 177.843 176.000 -0.034 0.000 0.980 143 Q CA 1.891 57.672 55.803 -0.037 0.000 0.869 143 Q CB -0.689 28.078 28.738 0.048 0.000 0.912 143 Q HN 0.781 nan 8.270 nan 0.000 0.436 144 F N 0.237 120.205 119.950 0.031 0.000 2.269 144 F HA 0.088 4.616 4.527 0.000 0.000 0.301 144 F C 1.728 177.540 175.800 0.021 0.000 1.082 144 F CA 0.978 58.998 58.000 0.034 0.000 1.360 144 F CB -0.729 38.283 39.000 0.019 0.000 1.041 144 F HN -0.078 nan 8.300 nan 0.000 0.512 145 S N 0.759 116.113 115.700 -0.577 0.000 2.631 145 S HA 0.207 4.677 4.470 0.000 0.000 0.217 145 S C 0.759 175.235 174.600 -0.207 0.000 0.958 145 S CA -0.168 57.819 58.200 -0.356 0.000 0.920 145 S CB -0.562 62.371 63.200 -0.446 0.000 0.776 145 S HN 0.256 nan 8.310 nan 0.000 0.517 146 M N 1.861 121.375 119.600 -0.143 0.000 2.248 146 M HA 0.282 4.762 4.480 0.000 0.000 0.337 146 M C 0.730 176.927 176.300 -0.171 0.000 1.121 146 M CA -0.321 54.925 55.300 -0.090 0.000 1.155 146 M CB 0.240 32.823 32.600 -0.028 0.000 1.514 146 M HN 0.192 nan 8.290 nan 0.000 0.452 147 A N 1.996 124.713 122.820 -0.172 0.000 2.429 147 A HA 0.101 4.421 4.320 0.000 0.000 0.242 147 A C 0.577 177.998 177.584 -0.272 0.000 1.088 147 A CA -0.081 51.794 52.037 -0.271 0.000 0.784 147 A CB 0.116 19.012 19.000 -0.174 0.000 1.038 147 A HN 0.972 nan 8.150 nan 0.000 0.501 148 H N -0.180 118.905 119.070 0.025 0.000 2.348 148 H HA 0.193 4.749 4.556 0.000 0.000 0.313 148 H C -0.020 175.323 175.328 0.026 0.000 1.051 148 H CA 0.817 56.883 56.048 0.030 0.000 1.420 148 H CB 0.172 29.956 29.762 0.036 0.000 1.484 148 H HN 0.709 nan 8.280 nan 0.000 0.609 149 Q N 0.985 120.877 119.800 0.153 0.000 2.350 149 Q HA 0.272 4.612 4.340 0.000 0.000 0.255 149 Q C -1.502 174.530 176.000 0.054 0.000 0.951 149 Q CA -0.310 55.547 55.803 0.090 0.000 0.751 149 Q CB 2.811 31.604 28.738 0.091 0.000 1.296 149 Q HN 0.208 nan 8.270 nan 0.000 0.453 150 D N 1.142 121.551 120.400 0.015 0.000 2.581 150 D HA 0.258 4.899 4.640 0.000 0.000 0.232 150 D C 0.468 176.759 176.300 -0.016 0.000 1.143 150 D CA -0.497 53.489 54.000 -0.023 0.000 0.881 150 D CB 2.766 43.509 40.800 -0.096 0.000 1.500 150 D HN 0.284 nan 8.370 nan 0.000 0.458 151 V N 1.812 121.711 119.914 -0.025 0.000 2.548 151 V HA -0.079 4.041 4.120 0.000 0.000 0.249 151 V C 1.097 177.188 176.094 -0.003 0.000 1.055 151 V CA 1.285 63.585 62.300 0.001 0.000 1.065 151 V CB -0.301 31.522 31.823 -0.000 0.000 0.681 151 V HN 0.347 nan 8.190 nan 0.000 0.462 152 R N 0.564 120.962 120.500 -0.170 0.000 2.891 152 R HA 0.148 4.488 4.340 0.000 0.000 0.248 152 R C 1.206 177.155 176.300 -0.585 0.000 1.439 152 R CA -0.218 55.570 56.100 -0.520 0.000 1.288 152 R CB -0.415 29.463 30.300 -0.703 0.000 1.212 152 R HN 0.642 nan 8.270 nan 0.000 0.605 153 Y N 0.556 120.649 120.300 -0.346 0.000 2.256 153 Y HA -0.327 4.223 4.550 0.000 0.000 0.288 153 Y C 1.397 177.235 175.900 -0.103 0.000 1.155 153 Y CA 0.897 58.901 58.100 -0.160 0.000 1.203 153 Y CB -0.732 37.702 38.460 -0.043 0.000 0.980 153 Y HN 0.544 nan 8.280 nan 0.000 0.530 154 Y N -0.379 119.583 120.300 -0.563 0.000 2.497 154 Y HA 0.063 4.614 4.550 0.000 0.000 0.292 154 Y C 1.602 177.468 175.900 -0.058 0.000 1.137 154 Y CA 0.360 58.251 58.100 -0.348 0.000 1.285 154 Y CB -1.138 37.052 38.460 -0.451 0.000 0.991 154 Y HN 0.210 nan 8.280 nan 0.000 0.556 155 L N 0.645 121.708 121.223 -0.266 0.000 2.418 155 L HA 0.020 4.360 4.340 0.000 0.000 0.218 155 L C 0.389 177.259 176.870 -0.000 0.000 1.125 155 L CA 0.444 55.225 54.840 -0.098 0.000 0.835 155 L CB -0.486 41.392 42.059 -0.301 0.000 0.953 155 L HN 0.245 nan 8.230 nan 0.000 0.454 156 N N 0.997 119.684 118.700 -0.021 0.000 3.115 156 N HA 0.210 4.951 4.740 0.000 0.000 0.305 156 N C 0.294 175.847 175.510 0.072 0.000 1.305 156 N CA -0.093 52.971 53.050 0.024 0.000 1.154 156 N CB 0.155 38.666 38.487 0.040 0.000 1.454 156 N HN 0.308 nan 8.380 nan 0.000 0.551 157 G N -0.075 108.784 108.800 0.098 0.000 2.430 157 G HA2 0.385 4.346 3.960 0.000 0.000 0.300 157 G HA3 0.385 4.346 3.960 0.000 0.000 0.300 157 G C -1.843 173.110 174.900 0.088 0.000 1.330 157 G CA -0.756 44.406 45.100 0.104 0.000 0.813 157 G HN 0.122 nan 8.290 nan 0.000 0.487 158 M N 0.516 120.142 119.600 0.043 0.000 2.395 158 M HA 0.632 5.112 4.480 0.000 0.000 0.307 158 M C -1.340 174.853 176.300 -0.179 0.000 1.091 158 M CA -0.979 54.268 55.300 -0.088 0.000 0.919 158 M CB 2.061 34.662 32.600 0.001 0.000 1.662 158 M HN 0.510 nan 8.290 nan 0.000 0.440 159 L N 4.700 125.570 121.223 -0.589 0.000 2.361 159 L HA 0.392 4.732 4.340 0.000 0.000 0.278 159 L C -1.593 175.108 176.870 -0.281 0.000 1.113 159 L CA 0.576 55.086 54.840 -0.550 0.000 0.849 159 L CB 0.116 41.598 42.059 -0.962 0.000 1.155 159 L HN 0.494 nan 8.230 nan 0.000 0.452 160 F N 4.145 123.988 119.950 -0.179 0.000 2.405 160 F HA 0.419 4.946 4.527 0.000 0.000 0.355 160 F C 0.439 176.204 175.800 -0.059 0.000 1.121 160 F CA -0.342 57.607 58.000 -0.085 0.000 1.112 160 F CB 1.027 40.033 39.000 0.012 0.000 1.126 160 F HN 0.479 nan 8.300 nan 0.000 0.481 161 E N 2.063 122.268 120.200 0.009 0.000 2.210 161 E HA 0.434 4.784 4.350 0.000 0.000 0.266 161 E C -1.067 175.541 176.600 0.014 0.000 0.883 161 E CA -0.706 55.709 56.400 0.026 0.000 0.761 161 E CB 1.386 31.078 29.700 -0.013 0.000 1.156 161 E HN 0.616 nan 8.360 nan 0.000 0.412 162 T N 1.310 115.891 114.554 0.044 0.000 2.859 162 T HA 0.563 4.913 4.350 0.000 0.000 0.281 162 T C -0.313 174.384 174.700 -0.004 0.000 1.005 162 T CA -0.817 61.267 62.100 -0.026 0.000 1.025 162 T CB 1.548 70.389 68.868 -0.045 0.000 0.977 162 T HN 0.515 nan 8.240 nan 0.000 0.458 163 E N 1.127 121.308 120.200 -0.032 0.000 2.522 163 E HA 0.454 4.805 4.350 0.000 0.000 0.315 163 E C 0.449 177.033 176.600 -0.027 0.000 0.917 163 E CA 0.051 56.444 56.400 -0.011 0.000 0.796 163 E CB 0.567 30.269 29.700 0.003 0.000 1.323 163 E HN 1.245 nan 8.360 nan 0.000 0.397 164 G N 4.287 113.074 108.800 -0.021 0.000 2.536 164 G HA2 -0.328 3.632 3.960 0.000 0.000 0.280 164 G HA3 -0.328 3.632 3.960 0.000 0.000 0.280 164 G C 0.278 175.154 174.900 -0.040 0.000 1.152 164 G CA 0.380 45.466 45.100 -0.023 0.000 0.970 164 G HN 0.587 nan 8.290 nan 0.000 0.549 165 E N 1.666 121.840 120.200 -0.043 0.000 2.585 165 E HA 0.265 4.616 4.350 0.000 0.000 0.206 165 E C -0.115 176.441 176.600 -0.073 0.000 1.007 165 E CA -0.017 56.350 56.400 -0.056 0.000 1.028 165 E CB 0.620 30.299 29.700 -0.034 0.000 1.087 165 E HN 0.513 nan 8.360 nan 0.000 0.455 166 E N 1.339 121.490 120.200 -0.082 0.000 2.187 166 E HA 0.373 4.723 4.350 0.000 0.000 0.268 166 E C -0.973 175.551 176.600 -0.126 0.000 0.896 166 E CA -0.565 55.782 56.400 -0.089 0.000 0.766 166 E CB 2.549 32.212 29.700 -0.062 0.000 1.142 166 E HN 0.055 nan 8.360 nan 0.000 0.408 167 L N 3.014 124.154 121.223 -0.138 0.000 2.309 167 L HA 0.527 4.867 4.340 0.000 0.000 0.282 167 L C -0.526 176.260 176.870 -0.140 0.000 1.036 167 L CA -0.564 54.188 54.840 -0.146 0.000 0.806 167 L CB 1.137 43.117 42.059 -0.132 0.000 1.220 167 L HN 0.445 nan 8.230 nan 0.000 0.429 168 R N 2.010 122.406 120.500 -0.175 0.000 2.538 168 R HA 0.444 4.784 4.340 0.000 0.000 0.292 168 R C -1.133 174.939 176.300 -0.380 0.000 1.008 168 R CA -0.427 55.527 56.100 -0.244 0.000 0.896 168 R CB 1.756 31.940 30.300 -0.193 0.000 1.187 168 R HN 0.701 nan 8.270 nan 0.000 0.440 169 T N 0.539 114.816 114.554 -0.461 0.000 2.895 169 T HA 0.624 4.975 4.350 0.000 0.000 0.283 169 T C -0.472 173.922 174.700 -0.509 0.000 1.014 169 T CA -0.748 60.995 62.100 -0.594 0.000 1.037 169 T CB 1.810 70.288 68.868 -0.649 0.000 1.006 169 T HN 0.382 nan 8.240 nan 0.000 0.468 170 V N -0.121 119.482 119.914 -0.518 0.000 2.971 170 V HA 0.929 5.050 4.120 0.000 0.000 0.309 170 V C -1.499 174.417 176.094 -0.297 0.000 1.130 170 V CA -0.742 61.298 62.300 -0.432 0.000 0.964 170 V CB 1.527 33.006 31.823 -0.573 0.000 1.029 170 V HN 1.577 nan 8.190 nan 0.000 0.427 171 A N 3.321 126.058 122.820 -0.139 0.000 2.488 171 A HA 0.911 5.231 4.320 0.000 0.000 0.298 171 A C -0.527 177.071 177.584 0.024 0.000 1.044 171 A CA -0.018 52.007 52.037 -0.021 0.000 0.693 171 A CB 2.066 20.970 19.000 -0.159 0.000 1.272 171 A HN 1.558 nan 8.150 nan 0.000 0.402 172 T N -0.209 114.408 114.554 0.104 0.000 2.853 172 T HA 0.468 4.818 4.350 0.000 0.000 0.311 172 T C -0.590 174.043 174.700 -0.111 0.000 1.307 172 T CA -0.223 61.848 62.100 -0.049 0.000 1.019 172 T CB 1.720 70.550 68.868 -0.063 0.000 1.264 172 T HN 0.455 nan 8.240 nan 0.000 0.497 173 D N 0.809 121.112 120.400 -0.163 0.000 2.262 173 D HA 0.281 4.921 4.640 0.000 0.000 0.212 173 D C 1.552 177.691 176.300 -0.269 0.000 0.964 173 D CA 1.752 55.644 54.000 -0.181 0.000 0.875 173 D CB 0.293 41.019 40.800 -0.124 0.000 0.996 173 D HN 0.981 nan 8.370 nan 0.000 0.497 174 G N -0.725 107.897 108.800 -0.297 0.000 2.184 174 G HA2 -0.199 3.761 3.960 0.000 0.000 0.206 174 G HA3 -0.199 3.761 3.960 0.000 0.000 0.206 174 G C 0.841 175.471 174.900 -0.449 0.000 0.995 174 G CA 0.249 45.122 45.100 -0.378 0.000 0.651 174 G HN 0.332 nan 8.290 nan 0.000 0.511 175 H N -0.174 118.823 119.070 -0.122 0.000 2.176 175 H HA 0.235 4.791 4.556 0.000 0.000 0.228 175 H C 1.446 176.677 175.328 -0.161 0.000 0.879 175 H CA 1.373 57.353 56.048 -0.114 0.000 1.027 175 H CB 0.587 30.257 29.762 -0.153 0.000 1.356 175 H HN 0.587 nan 8.280 nan 0.000 0.425 176 R N 0.530 120.939 120.500 -0.151 0.000 2.892 176 R HA 0.666 5.006 4.340 0.000 0.000 0.265 176 R C -1.298 174.934 176.300 -0.113 0.000 1.025 176 R CA -0.818 55.187 56.100 -0.157 0.000 0.982 176 R CB 1.914 32.036 30.300 -0.297 0.000 1.185 176 R HN 0.066 nan 8.270 nan 0.000 0.484 177 L N 0.091 121.280 121.223 -0.057 0.000 2.436 177 L HA 0.871 5.211 4.340 0.000 0.000 0.268 177 L C -1.419 175.412 176.870 -0.065 0.000 0.974 177 L CA -0.537 54.267 54.840 -0.060 0.000 0.826 177 L CB 2.239 44.287 42.059 -0.018 0.000 1.291 177 L HN 0.955 nan 8.230 nan 0.000 0.406 178 A N 4.544 127.271 122.820 -0.154 0.000 2.342 178 A HA 0.852 5.172 4.320 0.000 0.000 0.323 178 A C -1.368 176.024 177.584 -0.319 0.000 1.125 178 A CA -0.542 51.356 52.037 -0.232 0.000 0.785 178 A CB 1.758 20.636 19.000 -0.204 0.000 1.221 178 A HN 0.490 nan 8.150 nan 0.000 0.463 179 V N 0.702 120.363 119.914 -0.423 0.000 2.604 179 V HA 0.632 4.752 4.120 0.000 0.000 0.305 179 V C -0.498 175.361 176.094 -0.392 0.000 1.043 179 V CA -0.586 61.460 62.300 -0.424 0.000 0.888 179 V CB 1.382 32.972 31.823 -0.388 0.000 0.995 179 V HN 1.098 nan 8.190 nan 0.000 0.429 180 C N 4.084 123.189 119.300 -0.326 0.000 2.608 180 C HA 0.834 5.294 4.460 0.000 0.000 0.325 180 C C -0.146 174.716 174.990 -0.212 0.000 1.147 180 C CA -0.189 58.690 59.018 -0.231 0.000 1.359 180 C CB 1.108 28.746 27.740 -0.170 0.000 1.912 180 C HN 1.071 nan 8.230 nan 0.000 0.466 181 S N 6.854 122.462 115.700 -0.153 0.000 2.538 181 S HA 0.846 5.317 4.470 0.000 0.000 0.288 181 S C -0.998 173.550 174.600 -0.087 0.000 1.108 181 S CA -0.736 57.386 58.200 -0.129 0.000 0.971 181 S CB 1.546 64.681 63.200 -0.108 0.000 1.041 181 S HN 0.764 nan 8.310 nan 0.000 0.483 182 M N 2.801 122.355 119.600 -0.076 0.000 2.530 182 M HA 0.503 4.983 4.480 0.000 0.000 0.307 182 M C -2.895 173.378 176.300 -0.045 0.000 1.161 182 M CA -2.156 53.115 55.300 -0.047 0.000 0.903 182 M CB 2.339 34.920 32.600 -0.031 0.000 1.711 182 M HN 0.486 nan 8.290 nan 0.000 0.451 183 P HA 0.194 nan 4.420 nan 0.000 0.276 183 P C -0.035 177.250 177.300 -0.024 0.000 1.235 183 P CA 0.037 63.118 63.100 -0.031 0.000 0.772 183 P CB 1.386 33.074 31.700 -0.020 0.000 0.871 184 I N 1.851 122.399 120.570 -0.038 0.000 4.057 184 I HA 0.180 4.350 4.170 0.000 0.000 0.334 184 I C 1.220 177.336 176.117 -0.002 0.000 1.308 184 I CA 0.516 61.800 61.300 -0.027 0.000 1.125 184 I CB -0.171 37.767 38.000 -0.103 0.000 1.034 184 I HN 0.645 nan 8.210 nan 0.000 0.401 185 G N 1.601 110.396 108.800 -0.008 0.000 2.148 185 G HA2 -0.278 3.683 3.960 0.000 0.000 0.254 185 G HA3 -0.278 3.683 3.960 0.000 0.000 0.254 185 G C -0.078 174.826 174.900 0.006 0.000 0.981 185 G CA 0.312 45.414 45.100 0.004 0.000 0.670 185 G HN 0.544 nan 8.290 nan 0.000 0.528 186 Q N -0.496 119.301 119.800 -0.004 0.000 2.340 186 Q HA 0.606 4.946 4.340 0.000 0.000 0.276 186 Q C -0.424 175.567 176.000 -0.015 0.000 1.048 186 Q CA -0.485 55.321 55.803 0.005 0.000 0.832 186 Q CB 1.916 30.674 28.738 0.033 0.000 1.373 186 Q HN 0.305 nan 8.270 nan 0.000 0.409 187 S N 1.529 117.225 115.700 -0.007 0.000 2.564 187 S HA 0.471 4.941 4.470 0.000 0.000 0.278 187 S C -0.812 173.780 174.600 -0.012 0.000 1.333 187 S CA -0.182 58.011 58.200 -0.011 0.000 1.048 187 S CB 0.240 63.439 63.200 -0.001 0.000 0.900 187 S HN 0.399 nan 8.310 nan 0.000 0.505 188 L N 5.897 127.106 121.223 -0.024 0.000 2.409 188 L HA 0.649 4.989 4.340 0.000 0.000 0.262 188 L C -2.188 174.681 176.870 -0.001 0.000 0.992 188 L CA -1.847 52.979 54.840 -0.024 0.000 0.817 188 L CB 2.184 44.183 42.059 -0.099 0.000 1.350 188 L HN 0.531 nan 8.230 nan 0.000 0.411 189 P HA 0.206 nan 4.420 nan 0.000 0.274 189 P C -0.757 176.585 177.300 0.069 0.000 1.231 189 P CA -0.391 62.734 63.100 0.043 0.000 0.790 189 P CB 0.746 32.477 31.700 0.051 0.000 0.951 190 S N 1.435 117.181 115.700 0.078 0.000 2.510 190 S HA 0.191 4.661 4.470 0.000 0.000 0.279 190 S C 0.002 174.706 174.600 0.173 0.000 1.284 190 S CA 0.086 58.340 58.200 0.090 0.000 1.059 190 S CB -0.445 62.784 63.200 0.049 0.000 0.901 190 S HN 0.498 nan 8.310 nan 0.000 0.491 191 H N 0.722 119.810 119.070 0.029 0.000 3.046 191 H HA 0.462 5.018 4.556 0.000 0.000 0.361 191 H C -1.363 173.994 175.328 0.048 0.000 1.235 191 H CA -0.423 55.652 56.048 0.045 0.000 1.146 191 H CB 2.048 31.851 29.762 0.068 0.000 1.859 191 H HN 0.570 nan 8.280 nan 0.000 0.548 192 S N 1.806 117.409 115.700 -0.162 0.000 2.572 192 S HA 0.457 4.928 4.470 0.000 0.000 0.274 192 S C -1.005 173.557 174.600 -0.064 0.000 1.150 192 S CA -0.626 57.544 58.200 -0.050 0.000 0.944 192 S CB 1.588 64.751 63.200 -0.062 0.000 1.071 192 S HN 0.516 nan 8.310 nan 0.000 0.479 193 V N 0.873 120.813 119.914 0.043 0.000 3.078 193 V HA 0.731 4.852 4.120 0.000 0.000 0.311 193 V C -1.150 174.966 176.094 0.037 0.000 1.138 193 V CA -0.967 61.355 62.300 0.036 0.000 1.007 193 V CB 1.763 33.629 31.823 0.072 0.000 1.045 193 V HN 0.803 nan 8.190 nan 0.000 0.432 194 I N 3.256 123.839 120.570 0.022 0.000 2.355 194 I HA 0.559 4.729 4.170 0.000 0.000 0.288 194 I C -0.149 175.996 176.117 0.045 0.000 0.999 194 I CA -0.908 60.410 61.300 0.030 0.000 1.163 194 I CB 1.768 39.810 38.000 0.071 0.000 1.316 194 I HN 0.717 nan 8.210 nan 0.000 0.454 195 V N 7.981 127.941 119.914 0.076 0.000 2.481 195 V HA 0.606 4.726 4.120 0.000 0.000 0.286 195 V C -2.283 173.858 176.094 0.079 0.000 1.042 195 V CA -2.111 60.211 62.300 0.037 0.000 0.928 195 V CB 1.479 33.273 31.823 -0.049 0.000 0.986 195 V HN 0.501 nan 8.190 nan 0.000 0.462 196 P HA 0.074 nan 4.420 nan 0.000 0.266 196 P C 0.549 177.903 177.300 0.090 0.000 1.195 196 P CA -0.035 63.116 63.100 0.084 0.000 0.768 196 P CB 0.490 32.234 31.700 0.074 0.000 0.838 197 R N 3.257 123.808 120.500 0.085 0.000 2.127 197 R HA -0.189 4.152 4.340 0.000 0.000 0.238 197 R C 1.952 178.295 176.300 0.072 0.000 1.134 197 R CA 1.453 57.601 56.100 0.079 0.000 0.975 197 R CB -0.675 29.670 30.300 0.075 0.000 0.865 197 R HN 0.315 nan 8.270 nan 0.000 0.447 198 K N 0.746 121.191 120.400 0.074 0.000 2.057 198 K HA -0.088 4.232 4.320 0.000 0.000 0.207 198 K C 2.178 178.824 176.600 0.078 0.000 1.049 198 K CA 1.680 58.007 56.287 0.067 0.000 0.931 198 K CB -0.409 32.133 32.500 0.071 0.000 0.714 198 K HN 0.374 nan 8.250 nan 0.000 0.440 199 G N 0.505 109.382 108.800 0.127 0.000 2.402 199 G HA2 -0.213 3.747 3.960 0.000 0.000 0.216 199 G HA3 -0.213 3.747 3.960 0.000 0.000 0.216 199 G C 1.442 176.394 174.900 0.086 0.000 1.162 199 G CA 0.879 46.115 45.100 0.228 0.000 0.777 199 G HN 0.325 nan 8.290 nan 0.000 0.539 200 V N -0.328 119.633 119.914 0.078 0.000 2.667 200 V HA -0.019 4.101 4.120 0.000 0.000 0.252 200 V C 2.526 178.613 176.094 -0.012 0.000 1.065 200 V CA 1.409 63.745 62.300 0.061 0.000 1.083 200 V CB -0.294 31.612 31.823 0.139 0.000 0.692 200 V HN 0.194 nan 8.190 nan 0.000 0.468 201 I N 0.734 121.294 120.570 -0.017 0.000 2.252 201 I HA -0.114 4.056 4.170 0.000 0.000 0.245 201 I C 2.539 178.577 176.117 -0.131 0.000 1.102 201 I CA 1.954 63.227 61.300 -0.045 0.000 1.385 201 I CB -0.520 37.472 38.000 -0.012 0.000 1.064 201 I HN 0.399 nan 8.210 nan 0.000 0.414 202 E N 0.352 120.426 120.200 -0.209 0.000 2.077 202 E HA -0.221 4.129 4.350 0.000 0.000 0.193 202 E C 2.045 178.307 176.600 -0.564 0.000 0.989 202 E CA 1.120 57.286 56.400 -0.389 0.000 0.800 202 E CB -0.431 28.988 29.700 -0.468 0.000 0.746 202 E HN 0.306 nan 8.360 nan 0.000 0.452 203 L N 0.219 121.075 121.223 -0.612 0.000 2.046 203 L HA -0.068 4.272 4.340 0.000 0.000 0.208 203 L C 2.339 179.085 176.870 -0.207 0.000 1.077 203 L CA 2.112 56.686 54.840 -0.443 0.000 0.747 203 L CB -0.717 41.198 42.059 -0.240 0.000 0.896 203 L HN 0.331 nan 8.230 nan 0.000 0.432 204 M N -0.623 118.898 119.600 -0.133 0.000 2.073 204 M HA -0.282 4.198 4.480 0.000 0.000 0.258 204 M C 2.321 178.560 176.300 -0.101 0.000 1.070 204 M CA 1.985 57.242 55.300 -0.071 0.000 1.103 204 M CB -0.195 32.382 32.600 -0.038 0.000 1.321 204 M HN 0.209 nan 8.290 nan 0.000 0.405 205 R N 0.146 120.561 120.500 -0.140 0.000 2.237 205 R HA -0.081 4.259 4.340 0.000 0.000 0.219 205 R C 2.079 178.264 176.300 -0.192 0.000 1.080 205 R CA 1.477 57.489 56.100 -0.146 0.000 0.995 205 R CB -0.478 29.732 30.300 -0.150 0.000 0.875 205 R HN 0.645 nan 8.270 nan 0.000 0.462 206 M N -0.851 118.613 119.600 -0.227 0.000 2.556 206 M HA 0.130 4.610 4.480 0.000 0.000 0.245 206 M C -0.394 175.805 176.300 -0.168 0.000 1.128 206 M CA 0.654 55.801 55.300 -0.256 0.000 1.069 206 M CB 0.353 32.806 32.600 -0.246 0.000 1.469 206 M HN -0.167 nan 8.290 nan 0.000 0.494 207 L N 3.644 124.804 121.223 -0.104 0.000 2.283 207 L HA 0.178 4.518 4.340 0.000 0.000 0.287 207 L C 0.231 177.076 176.870 -0.042 0.000 1.073 207 L CA 0.287 55.100 54.840 -0.046 0.000 0.822 207 L CB 0.281 42.331 42.059 -0.016 0.000 1.186 207 L HN 0.379 nan 8.230 nan 0.000 0.436 208 D N 0.158 120.541 120.400 -0.027 0.000 2.340 208 D HA 0.146 4.786 4.640 0.000 0.000 0.220 208 D C 1.458 177.761 176.300 0.003 0.000 1.039 208 D CA 0.675 54.666 54.000 -0.015 0.000 0.866 208 D CB 0.320 41.118 40.800 -0.002 0.000 0.913 208 D HN 0.674 nan 8.370 nan 0.000 0.523 209 G N -0.278 108.529 108.800 0.012 0.000 2.245 209 G HA2 -0.279 3.681 3.960 0.000 0.000 0.264 209 G HA3 -0.279 3.681 3.960 0.000 0.000 0.264 209 G C 0.847 175.761 174.900 0.024 0.000 0.985 209 G CA 0.253 45.364 45.100 0.019 0.000 0.625 209 G HN 0.774 nan 8.290 nan 0.000 0.536 210 G N -0.350 108.465 108.800 0.026 0.000 2.447 210 G HA2 0.376 4.336 3.960 0.000 0.000 0.269 210 G HA3 0.376 4.336 3.960 0.000 0.000 0.269 210 G C 0.648 175.568 174.900 0.033 0.000 1.455 210 G CA 0.797 45.915 45.100 0.029 0.000 1.061 210 G HN 0.146 nan 8.290 nan 0.000 0.545 211 D N -0.608 119.812 120.400 0.032 0.000 2.305 211 D HA -0.023 4.617 4.640 0.000 0.000 0.206 211 D C 0.700 177.020 176.300 0.033 0.000 0.974 211 D CA 0.102 54.120 54.000 0.030 0.000 0.871 211 D CB -0.283 40.532 40.800 0.025 0.000 0.947 211 D HN 0.395 nan 8.370 nan 0.000 0.516 212 N N 3.269 121.992 118.700 0.039 0.000 2.359 212 N HA 0.010 4.751 4.740 0.000 0.000 0.261 212 N C -2.300 173.239 175.510 0.047 0.000 1.267 212 N CA -0.588 52.487 53.050 0.043 0.000 0.864 212 N CB 0.631 39.153 38.487 0.058 0.000 1.063 212 N HN 0.132 nan 8.380 nan 0.000 0.474 213 P HA -0.012 nan 4.420 nan 0.000 0.270 213 P C -0.837 176.498 177.300 0.059 0.000 1.223 213 P CA -0.313 62.816 63.100 0.048 0.000 0.785 213 P CB 0.822 32.544 31.700 0.037 0.000 0.923 214 L N 1.835 123.099 121.223 0.068 0.000 2.317 214 L HA 0.579 4.919 4.340 0.000 0.000 0.281 214 L C -0.096 176.807 176.870 0.055 0.000 1.024 214 L CA -0.636 54.249 54.840 0.075 0.000 0.810 214 L CB 1.322 43.429 42.059 0.080 0.000 1.240 214 L HN 0.385 nan 8.230 nan 0.000 0.427 215 R N 4.780 125.312 120.500 0.054 0.000 2.439 215 R HA 0.711 5.051 4.340 0.000 0.000 0.310 215 R C -1.853 174.437 176.300 -0.016 0.000 0.955 215 R CA -0.639 55.460 56.100 -0.001 0.000 0.853 215 R CB 1.754 32.048 30.300 -0.009 0.000 1.171 215 R HN 0.681 nan 8.270 nan 0.000 0.449 216 V N 3.066 122.809 119.914 -0.286 0.000 2.628 216 V HA 0.539 4.659 4.120 0.000 0.000 0.306 216 V C -1.223 174.677 176.094 -0.323 0.000 1.045 216 V CA -0.494 61.619 62.300 -0.312 0.000 0.905 216 V CB 2.030 33.591 31.823 -0.436 0.000 0.997 216 V HN 0.900 nan 8.190 nan 0.000 0.436 217 Q N 5.066 124.820 119.800 -0.076 0.000 2.340 217 Q HA 0.670 5.010 4.340 0.000 0.000 0.268 217 Q C -1.266 174.813 176.000 0.131 0.000 1.031 217 Q CA -0.530 55.295 55.803 0.037 0.000 0.804 217 Q CB 2.901 31.720 28.738 0.135 0.000 1.286 217 Q HN 0.814 nan 8.270 nan 0.000 0.448 218 I N 1.423 122.061 120.570 0.113 0.000 2.436 218 I HA 0.540 4.710 4.170 0.000 0.000 0.289 218 I C 0.231 176.437 176.117 0.148 0.000 1.010 218 I CA -0.528 60.821 61.300 0.081 0.000 1.098 218 I CB 1.893 39.914 38.000 0.036 0.000 1.266 218 I HN 0.722 nan 8.210 nan 0.000 0.434 219 G N 2.311 111.170 108.800 0.099 0.000 2.990 219 G HA2 0.358 4.318 3.960 0.000 0.000 0.208 219 G HA3 0.358 4.318 3.960 0.000 0.000 0.208 219 G C 0.694 175.618 174.900 0.041 0.000 1.334 219 G CA 0.143 45.341 45.100 0.162 0.000 1.024 219 G HN 0.558 nan 8.290 nan 0.000 0.574 220 S N -1.446 114.275 115.700 0.036 0.000 2.439 220 S HA 0.009 4.479 4.470 0.000 0.000 0.224 220 S C 1.088 175.666 174.600 -0.037 0.000 1.029 220 S CA 0.843 59.066 58.200 0.038 0.000 0.946 220 S CB -0.045 63.186 63.200 0.052 0.000 0.797 220 S HN 0.528 nan 8.310 nan 0.000 0.504 221 N N 0.818 119.439 118.700 -0.131 0.000 2.241 221 N HA 0.385 5.125 4.740 0.000 0.000 0.238 221 N C -1.159 174.140 175.510 -0.352 0.000 1.244 221 N CA -0.269 52.673 53.050 -0.180 0.000 0.880 221 N CB 0.532 38.938 38.487 -0.135 0.000 1.179 221 N HN 0.268 nan 8.380 nan 0.000 0.513 222 N N 0.387 118.747 118.700 -0.567 0.000 2.610 222 N HA 0.545 5.286 4.740 0.000 0.000 0.264 222 N C -1.942 173.115 175.510 -0.755 0.000 1.348 222 N CA -0.636 51.899 53.050 -0.859 0.000 0.819 222 N CB 2.501 39.925 38.487 -1.772 0.000 1.521 222 N HN -0.044 nan 8.380 nan 0.000 0.497 223 I N -0.027 120.212 120.570 -0.551 0.000 2.686 223 I HA 0.547 4.718 4.170 0.000 0.000 0.295 223 I C -1.499 174.506 176.117 -0.187 0.000 1.114 223 I CA -0.676 60.449 61.300 -0.292 0.000 1.038 223 I CB 1.774 39.631 38.000 -0.238 0.000 1.238 223 I HN 0.482 nan 8.210 nan 0.000 0.420 224 R N 5.583 126.097 120.500 0.022 0.000 2.621 224 R HA 0.863 5.203 4.340 0.000 0.000 0.292 224 R C -1.875 174.375 176.300 -0.083 0.000 0.969 224 R CA -0.567 55.529 56.100 -0.008 0.000 0.887 224 R CB 2.033 32.417 30.300 0.139 0.000 1.180 224 R HN 0.701 nan 8.270 nan 0.000 0.450 225 A N 4.284 127.045 122.820 -0.098 0.000 2.359 225 A HA 0.460 4.780 4.320 0.000 0.000 0.303 225 A C -1.445 176.106 177.584 -0.055 0.000 1.066 225 A CA -0.704 51.329 52.037 -0.007 0.000 0.730 225 A CB 0.943 20.012 19.000 0.116 0.000 1.211 225 A HN 0.844 nan 8.150 nan 0.000 0.439 226 H N 1.692 120.793 119.070 0.052 0.000 2.481 226 H HA 0.541 5.097 4.556 0.000 0.000 0.333 226 H C -1.189 174.180 175.328 0.068 0.000 1.066 226 H CA -0.598 55.486 56.048 0.059 0.000 1.209 226 H CB 1.871 31.640 29.762 0.011 0.000 1.445 226 H HN 0.354 nan 8.280 nan 0.000 0.488 227 V N 2.568 122.607 119.914 0.208 0.000 2.525 227 V HA 0.378 4.498 4.120 0.000 0.000 0.299 227 V C 1.003 177.209 176.094 0.187 0.000 1.034 227 V CA -0.043 62.362 62.300 0.174 0.000 0.863 227 V CB 1.136 33.062 31.823 0.171 0.000 0.999 227 V HN 1.191 nan 8.190 nan 0.000 0.423 228 G N 4.391 113.257 108.800 0.110 0.000 2.665 228 G HA2 -0.308 3.652 3.960 0.000 0.000 0.326 228 G HA3 -0.308 3.652 3.960 0.000 0.000 0.326 228 G C 0.473 175.359 174.900 -0.023 0.000 1.231 228 G CA 0.926 46.057 45.100 0.051 0.000 0.992 228 G HN 0.663 nan 8.290 nan 0.000 0.549 229 D N 0.835 121.134 120.400 -0.169 0.000 2.349 229 D HA 0.323 4.964 4.640 0.000 0.000 0.214 229 D C 0.333 176.264 176.300 -0.616 0.000 1.063 229 D CA 0.377 54.135 54.000 -0.403 0.000 0.847 229 D CB 0.094 40.585 40.800 -0.514 0.000 0.933 229 D HN 0.169 nan 8.370 nan 0.000 0.513 230 F N 0.269 120.234 119.950 0.025 0.000 2.507 230 F HA 0.531 5.059 4.527 0.000 0.000 0.327 230 F C 0.312 176.138 175.800 0.042 0.000 1.068 230 F CA -0.946 57.071 58.000 0.029 0.000 0.965 230 F CB 1.865 40.881 39.000 0.026 0.000 1.192 230 F HN -0.363 nan 8.300 nan 0.000 0.476 231 I N 2.547 123.250 120.570 0.220 0.000 2.548 231 I HA 0.253 4.423 4.170 0.000 0.000 0.287 231 I C -1.596 174.606 176.117 0.142 0.000 1.103 231 I CA -0.547 60.806 61.300 0.088 0.000 1.049 231 I CB 2.166 40.163 38.000 -0.004 0.000 1.232 231 I HN 0.409 nan 8.210 nan 0.000 0.429 232 F N 5.981 125.905 119.950 -0.044 0.000 2.458 232 F HA 0.734 5.261 4.527 0.000 0.000 0.336 232 F C -0.174 175.598 175.800 -0.047 0.000 1.114 232 F CA -0.319 57.663 58.000 -0.029 0.000 0.987 232 F CB 1.719 40.702 39.000 -0.028 0.000 1.130 232 F HN 0.408 nan 8.300 nan 0.000 0.458 233 T N 3.696 117.758 114.554 -0.819 0.000 2.971 233 T HA 0.644 4.995 4.350 0.000 0.000 0.304 233 T C -1.433 172.795 174.700 -0.787 0.000 1.038 233 T CA -0.414 61.334 62.100 -0.586 0.000 1.007 233 T CB 1.336 70.152 68.868 -0.086 0.000 1.055 233 T HN 0.825 nan 8.240 nan 0.000 0.451 234 S N 2.272 117.565 115.700 -0.678 0.000 2.627 234 S HA 0.763 5.234 4.470 0.000 0.000 0.283 234 S C -0.898 173.496 174.600 -0.343 0.000 1.127 234 S CA -0.908 57.020 58.200 -0.452 0.000 0.863 234 S CB 1.363 64.373 63.200 -0.317 0.000 1.121 234 S HN 1.075 nan 8.310 nan 0.000 0.479 235 K N 1.456 121.712 120.400 -0.239 0.000 2.132 235 K HA 0.675 4.995 4.320 0.000 0.000 0.241 235 K C -0.936 175.573 176.600 -0.152 0.000 1.000 235 K CA -0.965 55.181 56.287 -0.234 0.000 0.911 235 K CB 0.320 32.715 32.500 -0.176 0.000 1.093 235 K HN 0.294 nan 8.250 nan 0.000 0.460 236 L N 1.220 122.363 121.223 -0.134 0.000 2.358 236 L HA 0.385 4.725 4.340 0.000 0.000 0.268 236 L C -0.020 176.846 176.870 -0.006 0.000 1.032 236 L CA -1.028 53.772 54.840 -0.066 0.000 0.805 236 L CB 1.256 43.272 42.059 -0.071 0.000 1.253 236 L HN 0.690 nan 8.230 nan 0.000 0.452 237 V N 0.524 120.463 119.914 0.043 0.000 2.607 237 V HA 0.223 4.343 4.120 0.000 0.000 0.289 237 V C 1.113 177.265 176.094 0.096 0.000 1.053 237 V CA -0.157 62.208 62.300 0.108 0.000 0.996 237 V CB 1.274 33.187 31.823 0.150 0.000 0.995 237 V HN 0.820 nan 8.190 nan 0.000 0.476 238 D N 3.253 123.742 120.400 0.150 0.000 2.092 238 D HA 0.091 4.731 4.640 0.000 0.000 0.193 238 D C 0.682 177.010 176.300 0.047 0.000 0.994 238 D CA 2.077 56.139 54.000 0.104 0.000 0.828 238 D CB 0.415 41.306 40.800 0.151 0.000 0.963 238 D HN 1.048 nan 8.370 nan 0.000 0.450 239 G N -1.792 107.003 108.800 -0.008 0.000 2.324 239 G HA2 0.315 4.276 3.960 0.000 0.000 0.293 239 G HA3 0.315 4.276 3.960 0.000 0.000 0.293 239 G C -1.162 173.583 174.900 -0.258 0.000 1.297 239 G CA -0.461 44.591 45.100 -0.080 0.000 0.853 239 G HN 0.117 nan 8.290 nan 0.000 0.535 240 R N -1.545 118.816 120.500 -0.231 0.000 3.055 240 R HA -0.176 4.165 4.340 0.000 0.000 0.265 240 R C -0.527 175.477 176.300 -0.493 0.000 0.947 240 R CA 0.404 56.295 56.100 -0.347 0.000 0.652 240 R CB -1.471 28.562 30.300 -0.445 0.000 1.367 240 R HN 0.722 nan 8.270 nan 0.000 0.441 241 F N 3.749 123.527 119.950 -0.286 0.000 2.456 241 F HA 0.321 4.848 4.527 0.000 0.000 0.358 241 F C -1.030 174.700 175.800 -0.116 0.000 1.095 241 F CA -1.835 56.082 58.000 -0.139 0.000 1.216 241 F CB 0.551 39.535 39.000 -0.027 0.000 1.125 241 F HN 0.134 nan 8.300 nan 0.000 0.549 242 P HA -0.102 nan 4.420 nan 0.000 0.267 242 P C -1.012 176.269 177.300 -0.032 0.000 1.195 242 P CA -0.054 62.917 63.100 -0.215 0.000 0.773 242 P CB 0.556 32.096 31.700 -0.267 0.000 0.837 243 D N 1.252 121.627 120.400 -0.042 0.000 2.344 243 D HA -0.004 4.636 4.640 0.000 0.000 0.253 243 D C 1.212 177.472 176.300 -0.066 0.000 1.255 243 D CA -0.328 53.641 54.000 -0.052 0.000 0.894 243 D CB -0.154 40.572 40.800 -0.124 0.000 1.067 243 D HN 0.335 nan 8.370 nan 0.000 0.492 244 Y N 3.100 123.421 120.300 0.035 0.000 2.403 244 Y HA -0.063 4.487 4.550 0.000 0.000 0.291 244 Y C 1.796 177.690 175.900 -0.010 0.000 1.143 244 Y CA 0.824 58.935 58.100 0.017 0.000 1.257 244 Y CB -0.302 38.187 38.460 0.048 0.000 0.984 244 Y HN 0.251 nan 8.280 nan 0.000 0.550 245 R N 0.346 120.446 120.500 -0.667 0.000 2.148 245 R HA -0.036 4.304 4.340 0.000 0.000 0.227 245 R C 2.393 178.587 176.300 -0.177 0.000 1.103 245 R CA 1.035 56.880 56.100 -0.424 0.000 0.983 245 R CB -0.224 29.788 30.300 -0.480 0.000 0.874 245 R HN 0.363 nan 8.270 nan 0.000 0.451 246 R N 0.515 120.929 120.500 -0.143 0.000 2.193 246 R HA -0.065 4.276 4.340 0.000 0.000 0.213 246 R C 1.978 178.253 176.300 -0.042 0.000 1.055 246 R CA 1.186 57.239 56.100 -0.079 0.000 0.995 246 R CB 0.202 30.457 30.300 -0.075 0.000 0.893 246 R HN 0.216 nan 8.270 nan 0.000 0.459 247 V N -1.344 118.559 119.914 -0.019 0.000 3.235 247 V HA 0.152 4.272 4.120 0.000 0.000 0.259 247 V C 0.997 177.099 176.094 0.014 0.000 1.133 247 V CA 0.292 62.592 62.300 0.001 0.000 1.128 247 V CB -0.303 31.526 31.823 0.010 0.000 0.757 247 V HN -0.002 nan 8.190 nan 0.000 0.469 248 L N 2.676 123.911 121.223 0.019 0.000 2.485 248 L HA 0.248 4.588 4.340 0.000 0.000 0.275 248 L C -1.740 175.140 176.870 0.018 0.000 1.207 248 L CA -1.268 53.589 54.840 0.028 0.000 0.855 248 L CB 0.069 42.149 42.059 0.034 0.000 1.114 248 L HN 0.198 nan 8.230 nan 0.000 0.485 249 P HA 0.050 nan 4.420 nan 0.000 0.268 249 P C -1.196 176.112 177.300 0.015 0.000 1.205 249 P CA -0.161 62.951 63.100 0.021 0.000 0.771 249 P CB 0.391 32.108 31.700 0.030 0.000 0.858 250 K N 2.711 123.116 120.400 0.008 0.000 2.250 250 K HA 0.129 4.449 4.320 0.000 0.000 0.285 250 K C -0.041 176.563 176.600 0.008 0.000 1.097 250 K CA -0.346 55.944 56.287 0.005 0.000 0.913 250 K CB -0.480 32.019 32.500 -0.001 0.000 1.179 250 K HN 0.403 nan 8.250 nan 0.000 0.462 251 N N 2.452 121.160 118.700 0.013 0.000 2.648 251 N HA -0.108 4.632 4.740 0.000 0.000 0.265 251 N C -2.582 172.928 175.510 0.001 0.000 1.100 251 N CA -0.109 52.950 53.050 0.014 0.000 0.715 251 N CB -0.241 38.253 38.487 0.011 0.000 0.881 251 N HN 0.413 nan 8.380 nan 0.000 0.548 252 P HA 0.054 nan 4.420 nan 0.000 0.269 252 P C 0.031 177.256 177.300 -0.124 0.000 1.252 252 P CA 0.144 63.216 63.100 -0.046 0.000 0.780 252 P CB 0.515 32.195 31.700 -0.033 0.000 0.829 253 D N 2.646 122.984 120.400 -0.103 0.000 2.355 253 D HA -0.042 4.598 4.640 0.000 0.000 0.218 253 D C -0.056 176.112 176.300 -0.220 0.000 1.004 253 D CA 0.556 54.482 54.000 -0.122 0.000 0.880 253 D CB 0.371 41.146 40.800 -0.041 0.000 0.911 253 D HN 0.363 nan 8.370 nan 0.000 0.528 254 K N 0.358 120.618 120.400 -0.233 0.000 2.270 254 K HA 0.387 4.707 4.320 0.000 0.000 0.255 254 K C -0.573 175.903 176.600 -0.206 0.000 0.936 254 K CA -0.661 55.559 56.287 -0.113 0.000 0.809 254 K CB 1.959 34.546 32.500 0.145 0.000 1.131 254 K HN 0.068 nan 8.250 nan 0.000 0.427 255 H N 1.759 120.958 119.070 0.215 0.000 2.768 255 H HA 0.451 5.007 4.556 0.000 0.000 0.371 255 H C -1.227 174.284 175.328 0.306 0.000 1.151 255 H CA -0.835 55.327 56.048 0.189 0.000 1.165 255 H CB 2.301 32.130 29.762 0.112 0.000 1.722 255 H HN 0.404 nan 8.280 nan 0.000 0.543 256 L N 1.390 122.830 121.223 0.361 0.000 2.436 256 L HA 0.408 4.748 4.340 0.000 0.000 0.268 256 L C -0.942 176.055 176.870 0.212 0.000 0.974 256 L CA -0.498 54.527 54.840 0.309 0.000 0.826 256 L CB 2.216 44.385 42.059 0.183 0.000 1.291 256 L HN 0.495 nan 8.230 nan 0.000 0.406 257 E N 3.376 123.680 120.200 0.174 0.000 2.212 257 E HA 0.827 5.177 4.350 0.000 0.000 0.268 257 E C -1.471 175.190 176.600 0.102 0.000 0.902 257 E CA -0.511 55.962 56.400 0.122 0.000 0.779 257 E CB 2.333 32.090 29.700 0.097 0.000 1.172 257 E HN 0.780 nan 8.360 nan 0.000 0.409 258 A N 1.796 124.667 122.820 0.086 0.000 2.605 258 A HA 0.604 4.925 4.320 0.000 0.000 0.294 258 A C -0.357 177.264 177.584 0.061 0.000 1.062 258 A CA -0.249 51.830 52.037 0.071 0.000 0.682 258 A CB 1.200 20.247 19.000 0.078 0.000 1.278 258 A HN 0.534 nan 8.150 nan 0.000 0.410 259 G N -0.367 108.461 108.800 0.046 0.000 2.365 259 G HA2 0.366 4.327 3.960 0.000 0.000 0.249 259 G HA3 0.366 4.327 3.960 0.000 0.000 0.249 259 G C 1.114 176.040 174.900 0.044 0.000 1.288 259 G CA 0.452 45.575 45.100 0.038 0.000 0.887 259 G HN 1.589 nan 8.290 nan 0.000 0.524 260 C N 1.822 121.146 119.300 0.041 0.000 2.425 260 C HA -0.067 4.394 4.460 0.000 0.000 0.277 260 C C 2.219 177.233 174.990 0.040 0.000 1.280 260 C CA 1.476 60.520 59.018 0.044 0.000 1.744 260 C CB -0.677 27.079 27.740 0.027 0.000 1.989 260 C HN 0.776 nan 8.230 nan 0.000 0.491 261 D N 0.229 120.645 120.400 0.027 0.000 2.120 261 D HA -0.031 4.609 4.640 0.000 0.000 0.202 261 D C 2.239 178.552 176.300 0.021 0.000 0.972 261 D CA 0.853 54.865 54.000 0.021 0.000 0.837 261 D CB -0.340 40.467 40.800 0.012 0.000 0.989 261 D HN 0.293 nan 8.370 nan 0.000 0.469 262 L N 0.640 121.872 121.223 0.015 0.000 1.989 262 L HA -0.161 4.179 4.340 0.000 0.000 0.211 262 L C 2.518 179.386 176.870 -0.004 0.000 1.071 262 L CA 1.111 55.952 54.840 0.000 0.000 0.749 262 L CB -1.354 40.702 42.059 -0.005 0.000 0.890 262 L HN 0.137 nan 8.230 nan 0.000 0.431 263 L N 0.080 121.316 121.223 0.021 0.000 2.042 263 L HA -0.220 4.120 4.340 0.000 0.000 0.210 263 L C 2.644 179.585 176.870 0.118 0.000 1.076 263 L CA 1.794 56.652 54.840 0.030 0.000 0.749 263 L CB -0.659 41.476 42.059 0.127 0.000 0.893 263 L HN 0.223 nan 8.230 nan 0.000 0.432 264 K N -1.121 119.367 120.400 0.147 0.000 2.097 264 K HA -0.237 4.083 4.320 0.000 0.000 0.206 264 K C 2.175 178.842 176.600 0.112 0.000 1.049 264 K CA 1.682 58.068 56.287 0.165 0.000 0.933 264 K CB -0.074 32.474 32.500 0.079 0.000 0.717 264 K HN 0.509 nan 8.250 nan 0.000 0.442 265 Q N -0.237 119.592 119.800 0.047 0.000 2.046 265 Q HA -0.120 4.221 4.340 0.000 0.000 0.200 265 Q C 1.924 177.926 176.000 0.003 0.000 0.975 265 Q CA 1.373 57.188 55.803 0.021 0.000 0.836 265 Q CB -0.074 28.666 28.738 0.003 0.000 0.896 265 Q HN 0.377 nan 8.270 nan 0.000 0.428 266 A N 0.065 122.855 122.820 -0.050 0.000 1.902 266 A HA -0.163 4.157 4.320 0.000 0.000 0.217 266 A C 1.715 179.233 177.584 -0.111 0.000 1.181 266 A CA 1.206 53.173 52.037 -0.117 0.000 0.623 266 A CB -0.819 18.042 19.000 -0.232 0.000 0.818 266 A HN 0.422 nan 8.150 nan 0.000 0.443 267 F N 0.119 120.086 119.950 0.028 0.000 2.186 267 F HA -0.008 4.519 4.527 0.000 0.000 0.299 267 F C 2.749 178.560 175.800 0.019 0.000 1.090 267 F CA 0.695 58.718 58.000 0.037 0.000 1.307 267 F CB -0.608 38.423 39.000 0.052 0.000 1.019 267 F HN 0.255 nan 8.300 nan 0.000 0.489 268 A N 0.138 123.067 122.820 0.180 0.000 1.898 268 A HA -0.150 4.170 4.320 0.000 0.000 0.216 268 A C 2.348 179.970 177.584 0.063 0.000 1.181 268 A CA 1.285 53.381 52.037 0.098 0.000 0.620 268 A CB -0.545 18.491 19.000 0.060 0.000 0.819 268 A HN 0.278 nan 8.150 nan 0.000 0.442 269 R N -0.574 119.951 120.500 0.042 0.000 2.092 269 R HA -0.045 4.295 4.340 0.000 0.000 0.231 269 R C 2.434 178.750 176.300 0.028 0.000 1.119 269 R CA 1.138 57.251 56.100 0.022 0.000 0.970 269 R CB -0.411 29.890 30.300 0.001 0.000 0.864 269 R HN 0.505 nan 8.270 nan 0.000 0.440 270 A N 1.273 124.117 122.820 0.041 0.000 1.930 270 A HA -0.039 4.281 4.320 0.000 0.000 0.217 270 A C 2.351 179.976 177.584 0.069 0.000 1.175 270 A CA 1.412 53.479 52.037 0.051 0.000 0.627 270 A CB -0.464 18.574 19.000 0.063 0.000 0.815 270 A HN 0.368 nan 8.150 nan 0.000 0.443 271 A N 0.183 123.056 122.820 0.089 0.000 1.978 271 A HA -0.124 4.196 4.320 0.000 0.000 0.220 271 A C 1.997 179.601 177.584 0.034 0.000 1.170 271 A CA 1.489 53.566 52.037 0.067 0.000 0.636 271 A CB -0.697 18.341 19.000 0.064 0.000 0.810 271 A HN 0.524 nan 8.150 nan 0.000 0.448 272 I N -1.195 119.391 120.570 0.027 0.000 2.315 272 I HA -0.217 3.953 4.170 0.000 0.000 0.251 272 I C 1.108 177.231 176.117 0.010 0.000 1.125 272 I CA 0.867 62.175 61.300 0.013 0.000 1.392 272 I CB -0.095 37.911 38.000 0.010 0.000 1.065 272 I HN 0.181 nan 8.210 nan 0.000 0.424 273 L N 0.287 121.520 121.223 0.017 0.000 2.928 273 L HA 0.210 4.550 4.340 0.000 0.000 0.246 273 L C 0.835 177.717 176.870 0.020 0.000 1.239 273 L CA 0.059 54.908 54.840 0.014 0.000 1.035 273 L CB -0.790 41.276 42.059 0.013 0.000 1.360 273 L HN 0.131 nan 8.230 nan 0.000 0.529 274 S N -2.027 113.687 115.700 0.022 0.000 2.713 274 S HA 0.332 4.802 4.470 0.000 0.000 0.283 274 S C 0.210 174.819 174.600 0.015 0.000 1.161 274 S CA -0.771 57.446 58.200 0.028 0.000 0.999 274 S CB 0.989 64.212 63.200 0.037 0.000 1.039 274 S HN 0.303 nan 8.310 nan 0.000 0.548 275 N N 0.849 119.567 118.700 0.030 0.000 2.411 275 N HA 0.006 4.746 4.740 0.000 0.000 0.265 275 N C 1.182 176.665 175.510 -0.045 0.000 1.266 275 N CA 0.005 53.068 53.050 0.021 0.000 0.889 275 N CB 0.374 38.921 38.487 0.101 0.000 1.069 275 N HN 0.624 nan 8.380 nan 0.000 0.476 276 E N 2.599 122.752 120.200 -0.077 0.000 2.130 276 E HA -0.256 4.094 4.350 0.000 0.000 0.196 276 E C 0.988 177.462 176.600 -0.210 0.000 0.998 276 E CA 1.501 57.832 56.400 -0.115 0.000 0.806 276 E CB 0.088 29.727 29.700 -0.102 0.000 0.738 276 E HN 0.592 nan 8.360 nan 0.000 0.459 277 K N -0.379 119.802 120.400 -0.364 0.000 2.076 277 K HA -0.016 4.304 4.320 0.000 0.000 0.204 277 K C 1.645 177.753 176.600 -0.820 0.000 1.051 277 K CA 0.943 56.814 56.287 -0.693 0.000 0.949 277 K CB -0.071 31.737 32.500 -1.154 0.000 0.726 277 K HN 0.057 nan 8.250 nan 0.000 0.443 278 F N 0.150 120.070 119.950 -0.049 0.000 2.717 278 F HA 0.271 4.798 4.527 0.000 0.000 0.297 278 F C 0.019 175.766 175.800 -0.088 0.000 1.113 278 F CA -0.355 57.604 58.000 -0.068 0.000 1.319 278 F CB 0.322 39.297 39.000 -0.042 0.000 1.097 278 F HN -0.201 nan 8.300 nan 0.000 0.595 279 R N 0.437 120.952 120.500 0.024 0.000 3.627 279 R HA -0.164 4.176 4.340 0.000 0.000 0.281 279 R C 0.502 176.821 176.300 0.032 0.000 1.140 279 R CA 0.672 56.767 56.100 -0.007 0.000 0.761 279 R CB -2.580 27.665 30.300 -0.091 0.000 1.181 279 R HN 0.386 nan 8.270 nan 0.000 0.472 280 G N 0.357 109.202 108.800 0.075 0.000 2.364 280 G HA2 0.414 4.375 3.960 0.000 0.000 0.267 280 G HA3 0.414 4.375 3.960 0.000 0.000 0.267 280 G C 0.036 174.970 174.900 0.057 0.000 1.233 280 G CA -0.314 44.825 45.100 0.065 0.000 0.885 280 G HN 0.037 nan 8.290 nan 0.000 0.490 281 V N 2.923 122.874 119.914 0.061 0.000 2.667 281 V HA 0.619 4.739 4.120 0.000 0.000 0.308 281 V C 0.204 176.256 176.094 -0.070 0.000 1.048 281 V CA -0.968 61.368 62.300 0.059 0.000 0.928 281 V CB 2.020 33.955 31.823 0.188 0.000 1.004 281 V HN 0.858 nan 8.190 nan 0.000 0.444 282 R N 2.905 123.364 120.500 -0.068 0.000 2.562 282 R HA 0.732 5.073 4.340 0.000 0.000 0.298 282 R C -1.791 174.402 176.300 -0.178 0.000 0.961 282 R CA -0.503 55.489 56.100 -0.179 0.000 0.881 282 R CB 1.503 31.747 30.300 -0.093 0.000 1.159 282 R HN 0.561 nan 8.270 nan 0.000 0.450 283 L N 4.368 125.373 121.223 -0.363 0.000 2.362 283 L HA 0.479 4.819 4.340 0.000 0.000 0.275 283 L C -1.607 175.035 176.870 -0.380 0.000 0.998 283 L CA -0.413 54.282 54.840 -0.242 0.000 0.820 283 L CB 1.613 43.501 42.059 -0.285 0.000 1.270 283 L HN 0.606 nan 8.230 nan 0.000 0.415 284 Y N 3.567 123.805 120.300 -0.103 0.000 2.331 284 Y HA 0.607 5.157 4.550 0.000 0.000 0.334 284 Y C -0.149 175.682 175.900 -0.114 0.000 0.960 284 Y CA -0.913 57.133 58.100 -0.090 0.000 1.130 284 Y CB 1.876 40.297 38.460 -0.064 0.000 1.164 284 Y HN 0.260 nan 8.280 nan 0.000 0.458 285 V N 4.149 124.023 119.914 -0.067 0.000 2.547 285 V HA 0.872 4.992 4.120 0.000 0.000 0.299 285 V C -0.489 175.551 176.094 -0.090 0.000 1.040 285 V CA -0.185 61.995 62.300 -0.200 0.000 0.913 285 V CB 1.551 33.080 31.823 -0.490 0.000 0.992 285 V HN 0.927 nan 8.190 nan 0.000 0.449 286 S N 3.366 119.072 115.700 0.009 0.000 2.688 286 S HA 0.518 4.988 4.470 0.000 0.000 0.275 286 S C -0.666 174.105 174.600 0.285 0.000 1.175 286 S CA -0.844 57.462 58.200 0.178 0.000 0.818 286 S CB 1.293 64.560 63.200 0.111 0.000 1.157 286 S HN 0.776 nan 8.310 nan 0.000 0.482 287 E N 1.080 121.416 120.200 0.227 0.000 2.406 287 E HA 0.143 4.494 4.350 0.000 0.000 0.247 287 E C -0.159 176.529 176.600 0.147 0.000 1.160 287 E CA 1.003 57.511 56.400 0.180 0.000 0.950 287 E CB -1.459 28.292 29.700 0.084 0.000 0.993 287 E HN 0.669 nan 8.360 nan 0.000 0.472 288 N N 2.771 121.587 118.700 0.192 0.000 2.741 288 N HA -0.255 4.485 4.740 0.000 0.000 0.250 288 N C -0.862 174.703 175.510 0.093 0.000 1.115 288 N CA 0.574 53.705 53.050 0.135 0.000 0.724 288 N CB -0.438 38.098 38.487 0.081 0.000 1.090 288 N HN 0.573 nan 8.380 nan 0.000 0.558 289 Q N 0.389 120.244 119.800 0.090 0.000 2.331 289 Q HA 0.613 4.953 4.340 0.000 0.000 0.272 289 Q C -1.743 174.264 176.000 0.012 0.000 1.062 289 Q CA -0.804 55.023 55.803 0.040 0.000 0.806 289 Q CB 2.266 31.022 28.738 0.030 0.000 1.312 289 Q HN 0.208 nan 8.270 nan 0.000 0.431 290 L N 2.892 124.109 121.223 -0.011 0.000 2.381 290 L HA 0.527 4.868 4.340 0.000 0.000 0.274 290 L C -1.448 175.404 176.870 -0.030 0.000 0.988 290 L CA -0.198 54.624 54.840 -0.030 0.000 0.824 290 L CB 1.631 43.663 42.059 -0.046 0.000 1.263 290 L HN 0.460 nan 8.230 nan 0.000 0.410 291 K N 5.883 126.289 120.400 0.010 0.000 2.293 291 K HA 0.583 4.904 4.320 0.000 0.000 0.267 291 K C -1.260 175.381 176.600 0.068 0.000 1.010 291 K CA -0.459 55.834 56.287 0.009 0.000 0.875 291 K CB 0.767 33.249 32.500 -0.030 0.000 1.106 291 K HN 0.727 nan 8.250 nan 0.000 0.450 292 I N 3.471 124.032 120.570 -0.015 0.000 2.437 292 I HA 0.280 4.451 4.170 0.000 0.000 0.298 292 I C 0.089 176.233 176.117 0.045 0.000 0.984 292 I CA -0.500 60.800 61.300 -0.001 0.000 1.214 292 I CB 1.981 39.884 38.000 -0.161 0.000 1.365 292 I HN 0.709 nan 8.210 nan 0.000 0.469 293 T N 2.423 117.036 114.554 0.098 0.000 2.900 293 T HA 0.883 5.233 4.350 0.000 0.000 0.303 293 T C -0.943 173.799 174.700 0.071 0.000 1.142 293 T CA -0.815 61.330 62.100 0.074 0.000 1.007 293 T CB 2.064 70.987 68.868 0.092 0.000 1.156 293 T HN 0.757 nan 8.240 nan 0.000 0.490 294 A N 2.364 125.215 122.820 0.051 0.000 2.475 294 A HA 0.864 5.184 4.320 0.000 0.000 0.301 294 A C -0.994 176.613 177.584 0.037 0.000 1.059 294 A CA -0.970 51.097 52.037 0.050 0.000 0.710 294 A CB 1.442 20.474 19.000 0.054 0.000 1.288 294 A HN 0.853 nan 8.150 nan 0.000 0.408 295 N N 0.928 119.650 118.700 0.037 0.000 2.262 295 N HA 0.526 5.266 4.740 0.000 0.000 0.295 295 N C -1.449 174.080 175.510 0.032 0.000 1.161 295 N CA -0.525 52.544 53.050 0.030 0.000 0.767 295 N CB 2.380 40.885 38.487 0.030 0.000 1.499 295 N HN 0.877 nan 8.380 nan 0.000 0.476 296 N N -0.619 118.097 118.700 0.027 0.000 2.509 296 N HA 0.515 5.255 4.740 0.000 0.000 0.280 296 N C -2.556 172.970 175.510 0.027 0.000 1.306 296 N CA -1.532 51.535 53.050 0.028 0.000 0.782 296 N CB 0.725 39.222 38.487 0.018 0.000 1.493 296 N HN 0.046 nan 8.380 nan 0.000 0.498 297 P HA -0.129 nan 4.420 nan 0.000 0.217 297 P C -0.046 177.265 177.300 0.018 0.000 1.148 297 P CA 1.572 64.689 63.100 0.028 0.000 0.834 297 P CB 0.147 31.865 31.700 0.030 0.000 0.783 298 E N -0.443 119.765 120.200 0.013 0.000 2.416 298 E HA -0.008 4.342 4.350 0.000 0.000 0.189 298 E C 0.332 176.937 176.600 0.008 0.000 1.091 298 E CA 0.015 56.420 56.400 0.009 0.000 0.889 298 E CB -0.425 29.279 29.700 0.005 0.000 1.015 298 E HN 0.096 nan 8.360 nan 0.000 0.479 299 Q N -1.002 118.805 119.800 0.011 0.000 2.460 299 Q HA -0.227 4.113 4.340 0.000 0.000 0.248 299 Q C -0.688 175.316 176.000 0.007 0.000 0.847 299 Q CA 1.014 56.823 55.803 0.009 0.000 1.214 299 Q CB -2.228 26.514 28.738 0.007 0.000 1.523 299 Q HN 0.558 nan 8.270 nan 0.000 0.602 300 E N 0.967 121.172 120.200 0.007 0.000 2.390 300 E HA 0.301 4.651 4.350 0.000 0.000 0.261 300 E C 0.288 176.893 176.600 0.008 0.000 1.076 300 E CA 0.023 56.426 56.400 0.005 0.000 0.905 300 E CB 0.661 30.364 29.700 0.005 0.000 0.984 300 E HN 0.182 nan 8.360 nan 0.000 0.427 301 E N 0.703 120.906 120.200 0.005 0.000 2.308 301 E HA 0.552 4.903 4.350 0.000 0.000 0.275 301 E C -1.976 174.626 176.600 0.003 0.000 0.890 301 E CA -0.716 55.688 56.400 0.006 0.000 0.754 301 E CB 1.603 31.304 29.700 0.001 0.000 1.207 301 E HN 0.491 nan 8.360 nan 0.000 0.426 302 A N 3.579 126.403 122.820 0.007 0.000 2.356 302 A HA 0.806 5.127 4.320 0.000 0.000 0.323 302 A C -1.013 176.568 177.584 -0.004 0.000 1.119 302 A CA -0.570 51.468 52.037 0.002 0.000 0.790 302 A CB 1.419 20.425 19.000 0.010 0.000 1.273 302 A HN 0.693 nan 8.150 nan 0.000 0.452 303 E N 1.072 121.261 120.200 -0.018 0.000 2.311 303 E HA 0.414 4.764 4.350 0.000 0.000 0.281 303 E C -1.683 174.891 176.600 -0.043 0.000 0.905 303 E CA -0.407 55.973 56.400 -0.033 0.000 0.778 303 E CB 1.324 30.996 29.700 -0.046 0.000 1.240 303 E HN 0.551 nan 8.360 nan 0.000 0.410 304 E N 4.872 125.038 120.200 -0.056 0.000 2.246 304 E HA 0.383 4.733 4.350 0.000 0.000 0.266 304 E C -0.561 175.992 176.600 -0.079 0.000 0.880 304 E CA -0.756 55.600 56.400 -0.073 0.000 0.762 304 E CB 1.847 31.485 29.700 -0.104 0.000 1.180 304 E HN 0.486 nan 8.360 nan 0.000 0.416 305 I N 4.466 124.996 120.570 -0.068 0.000 2.404 305 I HA 0.478 4.648 4.170 0.000 0.000 0.293 305 I C 0.189 176.273 176.117 -0.055 0.000 0.992 305 I CA -0.740 60.524 61.300 -0.059 0.000 1.149 305 I CB 1.130 39.099 38.000 -0.050 0.000 1.315 305 I HN 0.402 nan 8.210 nan 0.000 0.446 306 L N 2.428 123.622 121.223 -0.049 0.000 2.479 306 L HA 0.706 5.046 4.340 0.000 0.000 0.255 306 L C -1.178 175.684 176.870 -0.014 0.000 1.026 306 L CA -1.019 53.798 54.840 -0.037 0.000 0.842 306 L CB 2.465 44.490 42.059 -0.056 0.000 1.444 306 L HN 0.257 nan 8.230 nan 0.000 0.409 307 D N 1.561 121.959 120.400 -0.003 0.000 2.249 307 D HA 0.552 5.192 4.640 0.000 0.000 0.246 307 D C -0.717 175.599 176.300 0.026 0.000 1.114 307 D CA 0.015 54.024 54.000 0.016 0.000 0.854 307 D CB 2.800 43.610 40.800 0.015 0.000 1.132 307 D HN 0.251 nan 8.370 nan 0.000 0.461 308 V N 1.983 121.925 119.914 0.047 0.000 2.789 308 V HA 0.264 4.384 4.120 0.000 0.000 0.311 308 V C -0.081 176.077 176.094 0.106 0.000 1.073 308 V CA -0.610 61.733 62.300 0.071 0.000 0.921 308 V CB 2.541 34.400 31.823 0.059 0.000 1.009 308 V HN 0.511 nan 8.190 nan 0.000 0.426 309 T N 5.051 119.675 114.554 0.116 0.000 2.761 309 T HA 0.502 4.852 4.350 0.000 0.000 0.296 309 T C -1.128 173.702 174.700 0.217 0.000 0.934 309 T CA 0.238 62.413 62.100 0.124 0.000 1.091 309 T CB -0.082 68.840 68.868 0.090 0.000 0.896 309 T HN 0.603 nan 8.240 nan 0.000 0.515 310 Y N 1.756 122.087 120.300 0.052 0.000 2.314 310 Y HA 0.388 4.938 4.550 0.000 0.000 0.317 310 Y C -1.446 174.485 175.900 0.050 0.000 1.234 310 Y CA -0.798 57.339 58.100 0.062 0.000 1.111 310 Y CB 1.104 39.601 38.460 0.061 0.000 1.283 310 Y HN 0.604 nan 8.280 nan 0.000 0.418 311 S N 3.975 119.334 115.700 -0.569 0.000 2.594 311 S HA 0.967 5.437 4.470 0.000 0.000 0.296 311 S C -0.256 173.927 174.600 -0.696 0.000 1.124 311 S CA -0.255 57.691 58.200 -0.423 0.000 1.011 311 S CB 1.575 64.668 63.200 -0.178 0.000 1.016 311 S HN 1.385 nan 8.310 nan 0.000 0.485 312 G N 1.086 109.550 108.800 -0.560 0.000 2.341 312 G HA2 0.536 4.496 3.960 0.000 0.000 0.293 312 G HA3 0.536 4.496 3.960 0.000 0.000 0.293 312 G C -1.409 173.439 174.900 -0.086 0.000 1.298 312 G CA -0.280 44.584 45.100 -0.393 0.000 0.868 312 G HN 0.985 nan 8.290 nan 0.000 0.540 313 A N -0.451 122.408 122.820 0.064 0.000 2.316 313 A HA 0.712 5.032 4.320 0.000 0.000 0.284 313 A C 0.354 178.077 177.584 0.231 0.000 1.115 313 A CA -0.184 51.930 52.037 0.128 0.000 0.812 313 A CB 0.307 19.352 19.000 0.075 0.000 1.064 313 A HN 0.635 nan 8.150 nan 0.000 0.489 314 E N 0.678 120.978 120.200 0.166 0.000 2.360 314 E HA 0.405 4.755 4.350 0.000 0.000 0.269 314 E C -0.096 176.550 176.600 0.076 0.000 1.022 314 E CA 0.350 56.831 56.400 0.134 0.000 0.887 314 E CB 0.602 30.366 29.700 0.106 0.000 0.990 314 E HN 0.689 nan 8.360 nan 0.000 0.426 315 M N -0.262 119.354 119.600 0.026 0.000 2.721 315 M HA 0.530 5.010 4.480 0.000 0.000 0.271 315 M C -1.447 174.788 176.300 -0.109 0.000 1.259 315 M CA -0.923 54.362 55.300 -0.025 0.000 0.835 315 M CB 2.200 34.790 32.600 -0.017 0.000 1.689 315 M HN 0.139 nan 8.290 nan 0.000 0.470 316 E N 0.975 121.070 120.200 -0.174 0.000 2.256 316 E HA 0.826 5.176 4.350 0.000 0.000 0.267 316 E C -1.619 174.819 176.600 -0.269 0.000 0.892 316 E CA -0.910 55.278 56.400 -0.353 0.000 0.775 316 E CB 3.527 32.952 29.700 -0.459 0.000 1.207 316 E HN 0.667 nan 8.360 nan 0.000 0.420 317 I N 0.649 121.023 120.570 -0.327 0.000 2.692 317 I HA 0.553 4.724 4.170 0.000 0.000 0.293 317 I C -0.949 174.929 176.117 -0.398 0.000 1.200 317 I CA -0.464 60.676 61.300 -0.266 0.000 1.036 317 I CB 1.724 39.626 38.000 -0.164 0.000 1.258 317 I HN 0.647 nan 8.210 nan 0.000 0.421 318 G N 5.527 114.146 108.800 -0.302 0.000 2.417 318 G HA2 0.748 4.708 3.960 0.000 0.000 0.334 318 G HA3 0.748 4.708 3.960 0.000 0.000 0.334 318 G C -1.400 173.357 174.900 -0.239 0.000 1.150 318 G CA -0.398 44.499 45.100 -0.339 0.000 0.923 318 G HN 0.553 nan 8.290 nan 0.000 0.485 319 F N -1.090 118.857 119.950 -0.004 0.000 2.711 319 F HA 0.510 5.037 4.527 0.000 0.000 0.313 319 F C -0.633 175.145 175.800 -0.038 0.000 1.141 319 F CA -2.458 55.537 58.000 -0.008 0.000 0.941 319 F CB 1.070 40.069 39.000 -0.001 0.000 1.349 319 F HN 0.367 nan 8.300 nan 0.000 0.464 320 N N 1.386 120.216 118.700 0.218 0.000 2.416 320 N HA 0.039 4.779 4.740 0.000 0.000 0.265 320 N C 0.785 176.267 175.510 -0.047 0.000 1.195 320 N CA 0.286 53.319 53.050 -0.027 0.000 0.943 320 N CB 1.562 39.848 38.487 -0.336 0.000 1.115 320 N HN 0.766 nan 8.380 nan 0.000 0.481 321 V N 3.863 123.781 119.914 0.006 0.000 2.490 321 V HA -0.207 3.914 4.120 0.000 0.000 0.250 321 V C 1.907 177.926 176.094 -0.124 0.000 1.061 321 V CA 2.020 64.297 62.300 -0.038 0.000 1.064 321 V CB -0.357 31.511 31.823 0.075 0.000 0.670 321 V HN 0.742 nan 8.190 nan 0.000 0.461 322 S N -0.574 115.032 115.700 -0.156 0.000 2.383 322 S HA -0.196 4.274 4.470 0.000 0.000 0.229 322 S C 1.775 176.365 174.600 -0.017 0.000 1.030 322 S CA 1.861 59.992 58.200 -0.115 0.000 1.002 322 S CB -0.450 62.667 63.200 -0.137 0.000 0.829 322 S HN 0.732 nan 8.310 nan 0.000 0.467 323 Y N 0.684 120.934 120.300 -0.085 0.000 2.200 323 Y HA 0.007 4.557 4.550 0.000 0.000 0.290 323 Y C 2.638 178.425 175.900 -0.188 0.000 1.137 323 Y CA -0.036 58.012 58.100 -0.086 0.000 1.163 323 Y CB -1.307 37.112 38.460 -0.070 0.000 0.988 323 Y HN 0.223 nan 8.280 nan 0.000 0.518 324 V N -0.542 119.263 119.914 -0.182 0.000 2.871 324 V HA -0.122 3.998 4.120 0.000 0.000 0.256 324 V C 1.929 177.827 176.094 -0.326 0.000 1.082 324 V CA 1.043 63.111 62.300 -0.385 0.000 1.105 324 V CB -0.430 30.929 31.823 -0.773 0.000 0.713 324 V HN 0.218 nan 8.190 nan 0.000 0.473 325 L N 0.358 121.439 121.223 -0.236 0.000 2.109 325 L HA 0.013 4.353 4.340 0.000 0.000 0.207 325 L C 2.240 178.986 176.870 -0.206 0.000 1.086 325 L CA 1.946 56.686 54.840 -0.168 0.000 0.760 325 L CB -1.419 40.588 42.059 -0.087 0.000 0.910 325 L HN 0.357 nan 8.230 nan 0.000 0.437 326 D N -0.839 119.435 120.400 -0.210 0.000 2.123 326 D HA -0.167 4.473 4.640 0.000 0.000 0.196 326 D C 2.309 178.185 176.300 -0.706 0.000 0.992 326 D CA 1.699 55.472 54.000 -0.379 0.000 0.833 326 D CB -0.161 40.522 40.800 -0.194 0.000 0.954 326 D HN 0.283 nan 8.370 nan 0.000 0.455 327 V N -0.635 118.974 119.914 -0.508 0.000 2.379 327 V HA -0.135 3.985 4.120 0.000 0.000 0.245 327 V C 2.025 177.816 176.094 -0.505 0.000 1.044 327 V CA 1.021 62.938 62.300 -0.638 0.000 1.036 327 V CB -0.504 31.035 31.823 -0.473 0.000 0.664 327 V HN 0.024 nan 8.190 nan 0.000 0.453 328 L N 1.603 122.641 121.223 -0.309 0.000 2.191 328 L HA -0.081 4.259 4.340 0.000 0.000 0.212 328 L C 2.349 179.106 176.870 -0.187 0.000 1.103 328 L CA 2.080 56.808 54.840 -0.187 0.000 0.769 328 L CB -2.086 39.923 42.059 -0.083 0.000 0.908 328 L HN 0.523 nan 8.230 nan 0.000 0.438 329 N N -0.890 117.663 118.700 -0.245 0.000 2.354 329 N HA -0.042 4.698 4.740 0.000 0.000 0.179 329 N C 1.785 177.145 175.510 -0.250 0.000 1.021 329 N CA 0.783 53.704 53.050 -0.214 0.000 0.887 329 N CB 0.022 38.380 38.487 -0.216 0.000 0.974 329 N HN 0.320 nan 8.380 nan 0.000 0.437 330 A N 0.267 122.851 122.820 -0.393 0.000 2.067 330 A HA 0.072 4.392 4.320 0.000 0.000 0.217 330 A C 0.657 178.160 177.584 -0.136 0.000 1.156 330 A CA 0.412 52.277 52.037 -0.287 0.000 0.683 330 A CB 0.030 18.793 19.000 -0.396 0.000 0.808 330 A HN 0.112 nan 8.150 nan 0.000 0.455 331 L N 2.021 123.139 121.223 -0.176 0.000 2.401 331 L HA 0.135 4.475 4.340 0.000 0.000 0.283 331 L C 0.628 177.475 176.870 -0.039 0.000 1.151 331 L CA -0.025 54.776 54.840 -0.065 0.000 0.942 331 L CB 0.407 42.417 42.059 -0.081 0.000 1.283 331 L HN 0.268 nan 8.230 nan 0.000 0.442 332 K N 3.588 123.981 120.400 -0.013 0.000 2.518 332 K HA 0.262 4.582 4.320 0.000 0.000 0.244 332 K C -0.377 176.227 176.600 0.007 0.000 1.232 332 K CA -0.270 56.011 56.287 -0.009 0.000 1.189 332 K CB -0.265 32.231 32.500 -0.006 0.000 1.737 332 K HN 0.467 nan 8.250 nan 0.000 0.333 333 C N -1.744 117.561 119.300 0.010 0.000 3.154 333 C HA 0.473 4.933 4.460 0.000 0.000 0.312 333 C C 1.359 176.361 174.990 0.019 0.000 1.349 333 C CA -0.796 58.234 59.018 0.019 0.000 1.518 333 C CB 1.728 29.487 27.740 0.031 0.000 1.934 333 C HN 0.626 nan 8.230 nan 0.000 0.462 334 E N 0.804 121.017 120.200 0.022 0.000 2.072 334 E HA -0.007 4.343 4.350 0.000 0.000 0.190 334 E C -0.143 176.474 176.600 0.028 0.000 0.982 334 E CA 1.360 57.773 56.400 0.022 0.000 0.803 334 E CB 0.057 29.768 29.700 0.020 0.000 0.755 334 E HN 0.719 nan 8.360 nan 0.000 0.453 335 N N -0.829 117.891 118.700 0.034 0.000 2.229 335 N HA 0.361 5.101 4.740 0.000 0.000 0.298 335 N C -1.583 173.958 175.510 0.053 0.000 1.114 335 N CA -0.482 52.594 53.050 0.043 0.000 0.776 335 N CB 2.749 41.261 38.487 0.042 0.000 1.501 335 N HN -0.204 nan 8.380 nan 0.000 0.474 336 V N 0.817 120.770 119.914 0.065 0.000 2.715 336 V HA 0.562 4.682 4.120 0.000 0.000 0.310 336 V C -0.445 175.706 176.094 0.095 0.000 1.054 336 V CA -0.718 61.630 62.300 0.080 0.000 0.928 336 V CB 1.939 33.812 31.823 0.083 0.000 1.007 336 V HN 0.572 nan 8.190 nan 0.000 0.437 337 R N 4.161 124.726 120.500 0.108 0.000 2.513 337 R HA 0.660 5.000 4.340 0.000 0.000 0.301 337 R C -1.313 175.076 176.300 0.148 0.000 0.968 337 R CA -0.565 55.612 56.100 0.128 0.000 0.872 337 R CB 1.413 31.781 30.300 0.113 0.000 1.177 337 R HN 0.713 nan 8.270 nan 0.000 0.444 338 M N 5.498 125.198 119.600 0.167 0.000 2.227 338 M HA 0.370 4.851 4.480 0.000 0.000 0.335 338 M C -0.822 175.581 176.300 0.173 0.000 1.053 338 M CA -0.581 54.813 55.300 0.158 0.000 0.973 338 M CB 2.238 34.937 32.600 0.164 0.000 1.623 338 M HN 0.445 nan 8.290 nan 0.000 0.434 339 M N 4.809 124.497 119.600 0.146 0.000 2.072 339 M HA 0.491 4.972 4.480 0.000 0.000 0.331 339 M C -1.136 175.199 176.300 0.058 0.000 1.004 339 M CA -0.550 54.812 55.300 0.103 0.000 0.952 339 M CB 1.089 33.763 32.600 0.125 0.000 1.511 339 M HN 0.402 nan 8.290 nan 0.000 0.422 340 L N 1.574 122.818 121.223 0.035 0.000 2.286 340 L HA 0.711 5.051 4.340 0.000 0.000 0.265 340 L C 0.613 177.491 176.870 0.014 0.000 1.012 340 L CA -0.346 54.522 54.840 0.047 0.000 0.818 340 L CB 1.296 43.392 42.059 0.061 0.000 1.337 340 L HN 0.641 nan 8.230 nan 0.000 0.438 341 T N -0.697 113.871 114.554 0.023 0.000 3.321 341 T HA 0.232 4.583 4.350 0.000 0.000 0.251 341 T C -0.716 173.995 174.700 0.018 0.000 0.999 341 T CA 0.315 62.422 62.100 0.012 0.000 1.186 341 T CB 1.092 69.968 68.868 0.013 0.000 1.163 341 T HN 0.795 nan 8.240 nan 0.000 0.399 342 D N -0.365 120.046 120.400 0.018 0.000 2.692 342 D HA 0.275 4.916 4.640 0.000 0.000 0.290 342 D C 0.562 176.864 176.300 0.003 0.000 1.281 342 D CA -0.123 53.882 54.000 0.009 0.000 0.804 342 D CB 0.271 41.074 40.800 0.006 0.000 1.331 342 D HN 0.064 nan 8.370 nan 0.000 0.432 343 S N -1.065 114.626 115.700 -0.015 0.000 2.584 343 S HA -0.055 4.415 4.470 0.000 0.000 0.240 343 S C 1.136 175.729 174.600 -0.012 0.000 0.975 343 S CA 0.764 58.945 58.200 -0.031 0.000 0.949 343 S CB -0.217 62.952 63.200 -0.052 0.000 0.761 343 S HN 0.546 nan 8.310 nan 0.000 0.536 344 V N 0.672 120.588 119.914 0.003 0.000 3.166 344 V HA 0.399 4.519 4.120 0.000 0.000 0.332 344 V C -0.300 175.807 176.094 0.021 0.000 1.434 344 V CA -0.159 62.146 62.300 0.009 0.000 1.121 344 V CB 0.456 32.280 31.823 0.001 0.000 1.062 344 V HN 0.477 nan 8.190 nan 0.000 0.489 345 S N -0.058 115.661 115.700 0.030 0.000 2.607 345 S HA 0.619 5.089 4.470 0.000 0.000 0.303 345 S C 0.158 174.794 174.600 0.059 0.000 1.086 345 S CA -0.355 57.867 58.200 0.037 0.000 0.995 345 S CB 1.940 65.158 63.200 0.029 0.000 1.084 345 S HN 0.372 nan 8.310 nan 0.000 0.507 346 S N 1.026 116.761 115.700 0.058 0.000 2.587 346 S HA 0.355 4.825 4.470 0.000 0.000 0.260 346 S C 0.057 174.704 174.600 0.077 0.000 1.353 346 S CA -0.558 57.685 58.200 0.072 0.000 0.995 346 S CB 0.549 63.781 63.200 0.052 0.000 0.912 346 S HN 0.743 nan 8.310 nan 0.000 0.568 347 V N 0.515 120.477 119.914 0.080 0.000 2.914 347 V HA 0.652 4.773 4.120 0.000 0.000 0.314 347 V C -0.921 175.206 176.094 0.056 0.000 1.084 347 V CA -0.752 61.597 62.300 0.081 0.000 0.963 347 V CB 1.860 33.763 31.823 0.134 0.000 1.025 347 V HN 0.851 nan 8.190 nan 0.000 0.432 348 Q N 2.875 122.717 119.800 0.069 0.000 2.274 348 Q HA 0.759 5.100 4.340 0.000 0.000 0.260 348 Q C -1.428 174.631 176.000 0.100 0.000 0.974 348 Q CA -0.755 55.094 55.803 0.077 0.000 0.876 348 Q CB 1.966 30.747 28.738 0.073 0.000 1.297 348 Q HN 0.868 nan 8.270 nan 0.000 0.446 349 I N 2.347 122.997 120.570 0.134 0.000 2.647 349 I HA 0.440 4.610 4.170 0.000 0.000 0.295 349 I C -0.738 175.515 176.117 0.227 0.000 1.078 349 I CA -0.501 60.893 61.300 0.155 0.000 1.048 349 I CB 2.342 40.411 38.000 0.115 0.000 1.239 349 I HN 0.687 nan 8.210 nan 0.000 0.421 350 E N 2.117 122.427 120.200 0.183 0.000 2.460 350 E HA 0.272 4.622 4.350 0.000 0.000 0.277 350 E C -1.683 175.004 176.600 0.144 0.000 1.010 350 E CA -0.990 55.520 56.400 0.185 0.000 0.838 350 E CB 1.446 31.210 29.700 0.108 0.000 1.448 350 E HN 0.439 nan 8.360 nan 0.000 0.462 351 D N 0.056 120.532 120.400 0.127 0.000 2.382 351 D HA 0.156 4.797 4.640 0.000 0.000 0.245 351 D C 0.297 176.637 176.300 0.068 0.000 1.120 351 D CA 0.091 54.144 54.000 0.087 0.000 0.890 351 D CB 1.640 42.486 40.800 0.076 0.000 1.201 351 D HN 0.531 nan 8.370 nan 0.000 0.433 352 A N 3.058 125.912 122.820 0.057 0.000 2.216 352 A HA 0.168 4.488 4.320 0.000 0.000 0.214 352 A C 1.563 179.162 177.584 0.026 0.000 1.160 352 A CA 1.439 53.501 52.037 0.043 0.000 0.725 352 A CB -0.149 18.877 19.000 0.042 0.000 0.784 352 A HN 0.569 nan 8.150 nan 0.000 0.472 353 A N -1.384 121.453 122.820 0.028 0.000 2.358 353 A HA 0.511 4.831 4.320 0.000 0.000 0.223 353 A C 0.594 178.190 177.584 0.019 0.000 1.218 353 A CA 0.488 52.536 52.037 0.019 0.000 0.942 353 A CB 0.406 19.418 19.000 0.020 0.000 1.005 353 A HN 0.291 nan 8.150 nan 0.000 0.514 354 S N 0.058 115.774 115.700 0.026 0.000 2.672 354 S HA 0.321 4.792 4.470 0.000 0.000 0.291 354 S C -0.204 174.409 174.600 0.022 0.000 1.145 354 S CA -0.535 57.677 58.200 0.020 0.000 1.013 354 S CB 1.507 64.722 63.200 0.024 0.000 1.017 354 S HN 0.376 nan 8.310 nan 0.000 0.487 355 Q N 1.015 120.822 119.800 0.010 0.000 2.444 355 Q HA 0.049 4.389 4.340 0.000 0.000 0.206 355 Q C 1.262 177.253 176.000 -0.016 0.000 0.948 355 Q CA 0.122 55.928 55.803 0.004 0.000 0.946 355 Q CB -0.132 28.608 28.738 0.003 0.000 1.027 355 Q HN 0.701 nan 8.270 nan 0.000 0.513 356 S N 0.979 116.669 115.700 -0.018 0.000 2.383 356 S HA -0.110 4.360 4.470 0.000 0.000 0.229 356 S C 0.961 175.513 174.600 -0.079 0.000 1.030 356 S CA 1.020 59.197 58.200 -0.039 0.000 1.002 356 S CB -0.010 63.174 63.200 -0.026 0.000 0.829 356 S HN 0.458 nan 8.310 nan 0.000 0.467 357 A N 0.385 123.156 122.820 -0.081 0.000 2.356 357 A HA 0.863 5.183 4.320 0.000 0.000 0.323 357 A C -0.502 176.921 177.584 -0.268 0.000 1.119 357 A CA -0.339 51.571 52.037 -0.212 0.000 0.790 357 A CB 1.468 20.381 19.000 -0.144 0.000 1.273 357 A HN 0.552 nan 8.150 nan 0.000 0.452 358 A N 0.687 123.204 122.820 -0.505 0.000 2.488 358 A HA 0.748 5.068 4.320 0.000 0.000 0.298 358 A C -1.807 175.414 177.584 -0.606 0.000 1.044 358 A CA -0.371 51.460 52.037 -0.343 0.000 0.693 358 A CB 0.922 19.830 19.000 -0.154 0.000 1.272 358 A HN 0.883 nan 8.150 nan 0.000 0.402 359 Y N 0.188 120.496 120.300 0.015 0.000 2.457 359 Y HA 0.613 5.163 4.550 0.000 0.000 0.343 359 Y C -0.181 175.718 175.900 -0.001 0.000 0.994 359 Y CA -0.884 57.222 58.100 0.010 0.000 1.031 359 Y CB 2.493 40.986 38.460 0.055 0.000 1.246 359 Y HN 0.736 nan 8.280 nan 0.000 0.449 360 V N 4.864 124.838 119.914 0.100 0.000 2.577 360 V HA 0.862 4.982 4.120 0.000 0.000 0.303 360 V C -1.442 174.670 176.094 0.030 0.000 1.042 360 V CA -0.711 61.621 62.300 0.055 0.000 0.872 360 V CB 1.480 33.325 31.823 0.037 0.000 0.998 360 V HN 0.642 nan 8.190 nan 0.000 0.423 361 V N 4.747 124.664 119.914 0.006 0.000 2.581 361 V HA 0.660 4.780 4.120 0.000 0.000 0.303 361 V C 0.101 176.225 176.094 0.050 0.000 1.041 361 V CA -0.843 61.455 62.300 -0.002 0.000 0.907 361 V CB 1.601 33.345 31.823 -0.132 0.000 0.994 361 V HN 0.937 nan 8.190 nan 0.000 0.442 362 M N 4.920 124.584 119.600 0.107 0.000 2.227 362 M HA 0.464 4.944 4.480 0.000 0.000 0.316 362 M C -2.226 174.179 176.300 0.175 0.000 1.144 362 M CA -1.493 53.882 55.300 0.124 0.000 1.121 362 M CB 1.519 34.194 32.600 0.125 0.000 1.440 362 M HN 0.573 nan 8.290 nan 0.000 0.473 363 P HA 0.342 nan 4.420 nan 0.000 0.281 363 P C -1.529 175.835 177.300 0.107 0.000 1.249 363 P CA -0.225 62.968 63.100 0.154 0.000 0.810 363 P CB 1.057 32.815 31.700 0.098 0.000 1.008 364 M N 1.436 121.085 119.600 0.081 0.000 2.535 364 M HA 0.447 4.927 4.480 0.000 0.000 0.314 364 M C 0.074 176.368 176.300 -0.011 0.000 1.153 364 M CA -0.890 54.431 55.300 0.035 0.000 0.924 364 M CB 2.684 35.306 32.600 0.036 0.000 1.710 364 M HN 0.177 nan 8.290 nan 0.000 0.451 365 R N 2.447 122.929 120.500 -0.029 0.000 2.275 365 R HA 0.610 4.950 4.340 0.000 0.000 0.326 365 R C -1.889 174.380 176.300 -0.052 0.000 0.973 365 R CA -0.281 55.793 56.100 -0.043 0.000 0.854 365 R CB 0.381 30.658 30.300 -0.038 0.000 1.156 365 R HN 0.497 nan 8.270 nan 0.000 0.487 366 L N 0.000 121.192 121.223 -0.052 0.000 2.949 366 L HA 0.000 4.340 4.340 0.000 0.000 0.249 366 L CA 0.000 54.815 54.840 -0.041 0.000 0.813 366 L CB 0.000 42.037 42.059 -0.037 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502