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 1mmi_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 0.000 176.340 176.300 0.067 0.000 1.140 1 M CA 0.000 55.348 55.300 0.080 0.000 0.988 1 M CB 0.000 32.653 32.600 0.089 0.000 1.302 2 K N 4.964 125.427 120.400 0.106 0.000 2.371 2 K HA 0.876 5.196 4.320 0.000 0.000 0.251 2 K C -1.529 175.209 176.600 0.230 0.000 0.934 2 K CA -0.627 55.693 56.287 0.056 0.000 0.798 2 K CB 2.595 35.112 32.500 0.028 0.000 1.204 2 K HN 0.550 nan 8.250 nan 0.000 0.427 3 F N -2.302 117.698 119.950 0.085 0.000 2.665 3 F HA 0.450 4.977 4.527 0.000 0.000 0.308 3 F C -1.222 174.631 175.800 0.089 0.000 1.112 3 F CA -0.829 57.233 58.000 0.103 0.000 0.972 3 F CB 1.776 40.823 39.000 0.079 0.000 1.295 3 F HN 0.200 nan 8.300 nan 0.000 0.440 4 T N 3.105 117.830 114.554 0.285 0.000 2.815 4 T HA 0.631 4.981 4.350 0.000 0.000 0.289 4 T C -1.429 173.422 174.700 0.252 0.000 1.000 4 T CA -0.690 61.527 62.100 0.196 0.000 0.958 4 T CB 1.385 70.321 68.868 0.112 0.000 0.944 4 T HN 0.843 nan 8.240 nan 0.000 0.442 5 V N 3.255 123.327 119.914 0.263 0.000 2.841 5 V HA 0.526 4.646 4.120 0.000 0.000 0.310 5 V C -0.407 175.751 176.094 0.106 0.000 1.090 5 V CA -1.067 61.358 62.300 0.207 0.000 0.930 5 V CB 1.978 33.951 31.823 0.250 0.000 1.014 5 V HN 0.955 nan 8.190 nan 0.000 0.425 6 E N 5.161 125.364 120.200 0.004 0.000 2.415 6 E HA 0.069 4.419 4.350 0.000 0.000 0.263 6 E C 1.252 177.788 176.600 -0.107 0.000 0.995 6 E CA 0.283 56.602 56.400 -0.135 0.000 0.915 6 E CB 0.737 30.194 29.700 -0.405 0.000 0.951 6 E HN 0.713 nan 8.360 nan 0.000 0.449 7 R N 3.576 124.031 120.500 -0.075 0.000 2.134 7 R HA -0.286 4.054 4.340 0.000 0.000 0.248 7 R C 1.269 177.546 176.300 -0.038 0.000 1.143 7 R CA 2.505 58.573 56.100 -0.053 0.000 0.957 7 R CB -0.035 30.226 30.300 -0.066 0.000 0.867 7 R HN 0.624 nan 8.270 nan 0.000 0.441 8 E N -0.683 119.475 120.200 -0.071 0.000 2.204 8 E HA -0.131 4.219 4.350 0.000 0.000 0.194 8 E C 1.618 178.294 176.600 0.127 0.000 0.989 8 E CA 1.423 57.824 56.400 0.002 0.000 0.824 8 E CB -0.109 29.583 29.700 -0.015 0.000 0.756 8 E HN 0.652 nan 8.360 nan 0.000 0.477 9 H N -1.225 117.859 119.070 0.024 0.000 2.546 9 H HA 0.006 4.562 4.556 0.000 0.000 0.277 9 H C 1.197 176.539 175.328 0.023 0.000 1.004 9 H CA 0.046 56.108 56.048 0.022 0.000 1.231 9 H CB 0.392 30.161 29.762 0.011 0.000 1.382 9 H HN 0.049 nan 8.280 nan 0.000 0.580 10 L N -0.389 120.917 121.223 0.139 0.000 2.408 10 L HA -0.010 4.330 4.340 0.000 0.000 0.215 10 L C 1.709 178.636 176.870 0.096 0.000 1.081 10 L CA 0.575 55.467 54.840 0.087 0.000 0.840 10 L CB 0.053 42.141 42.059 0.047 0.000 1.002 10 L HN 0.153 nan 8.230 nan 0.000 0.468 11 L N -0.296 120.989 121.223 0.103 0.000 1.994 11 L HA -0.186 4.154 4.340 0.000 0.000 0.208 11 L C 2.490 179.472 176.870 0.187 0.000 1.071 11 L CA 1.762 56.695 54.840 0.156 0.000 0.745 11 L CB -0.783 41.339 42.059 0.104 0.000 0.892 11 L HN 0.177 nan 8.230 nan 0.000 0.431 12 K N -0.883 119.606 120.400 0.148 0.000 2.026 12 K HA -0.149 4.171 4.320 0.000 0.000 0.208 12 K C -0.216 176.489 176.600 0.174 0.000 1.048 12 K CA 1.578 57.942 56.287 0.128 0.000 0.929 12 K CB -1.002 31.581 32.500 0.139 0.000 0.713 12 K HN 0.269 nan 8.250 nan 0.000 0.439 13 P HA -0.144 nan 4.420 nan 0.000 0.215 13 P C 1.356 178.749 177.300 0.156 0.000 1.153 13 P CA 1.125 64.398 63.100 0.288 0.000 0.853 13 P CB 0.048 31.825 31.700 0.128 0.000 0.788 14 L N -0.679 120.605 121.223 0.101 0.000 2.046 14 L HA -0.216 4.124 4.340 0.000 0.000 0.208 14 L C 2.785 179.552 176.870 -0.172 0.000 1.077 14 L CA 1.588 56.447 54.840 0.032 0.000 0.747 14 L CB -0.852 41.294 42.059 0.145 0.000 0.896 14 L HN 0.054 nan 8.230 nan 0.000 0.432 15 Q N -0.395 119.270 119.800 -0.225 0.000 2.167 15 Q HA -0.268 4.072 4.340 0.000 0.000 0.202 15 Q C 2.182 178.053 176.000 -0.215 0.000 0.970 15 Q CA 1.545 57.117 55.803 -0.385 0.000 0.855 15 Q CB 0.143 28.756 28.738 -0.209 0.000 0.911 15 Q HN 0.373 nan 8.270 nan 0.000 0.438 16 Q N -0.146 119.593 119.800 -0.102 0.000 2.083 16 Q HA -0.099 4.241 4.340 0.000 0.000 0.198 16 Q C 1.958 177.953 176.000 -0.009 0.000 0.969 16 Q CA 1.698 57.453 55.803 -0.081 0.000 0.838 16 Q CB 0.027 28.718 28.738 -0.078 0.000 0.900 16 Q HN 0.404 nan 8.270 nan 0.000 0.436 17 V N -3.017 116.918 119.914 0.035 0.000 3.406 17 V HA 0.120 4.240 4.120 0.000 0.000 0.263 17 V C 1.485 177.599 176.094 0.034 0.000 1.172 17 V CA 1.238 63.580 62.300 0.069 0.000 1.140 17 V CB -0.025 31.855 31.823 0.096 0.000 0.784 17 V HN 0.095 nan 8.190 nan 0.000 0.467 18 S N 1.392 117.064 115.700 -0.048 0.000 2.607 18 S HA 0.174 4.644 4.470 0.000 0.000 0.224 18 S C 1.903 176.473 174.600 -0.049 0.000 0.969 18 S CA 0.827 58.989 58.200 -0.064 0.000 0.927 18 S CB -0.010 63.075 63.200 -0.191 0.000 0.772 18 S HN 0.807 nan 8.310 nan 0.000 0.533 19 G N 3.093 111.870 108.800 -0.039 0.000 2.404 19 G HA2 -0.115 3.846 3.960 0.000 0.000 0.215 19 G HA3 -0.115 3.846 3.960 0.000 0.000 0.215 19 G C -0.905 174.000 174.900 0.008 0.000 1.174 19 G CA 0.500 45.580 45.100 -0.034 0.000 0.780 19 G HN 0.416 nan 8.290 nan 0.000 0.537 20 P HA 0.053 nan 4.420 nan 0.000 0.226 20 P C 0.459 177.789 177.300 0.050 0.000 1.146 20 P CA 0.543 63.685 63.100 0.071 0.000 0.773 20 P CB 0.110 31.874 31.700 0.106 0.000 0.772 21 L N -1.821 119.426 121.223 0.040 0.000 2.687 21 L HA 0.753 5.093 4.340 0.000 0.000 0.252 21 L C 1.092 177.981 176.870 0.032 0.000 1.115 21 L CA 0.041 54.907 54.840 0.044 0.000 0.893 21 L CB 0.250 42.342 42.059 0.056 0.000 1.670 21 L HN -0.096 nan 8.230 nan 0.000 0.531 22 G N -2.268 106.554 108.800 0.037 0.000 2.368 22 G HA2 0.449 4.409 3.960 0.000 0.000 0.293 22 G HA3 0.449 4.409 3.960 0.000 0.000 0.293 22 G C -0.508 174.416 174.900 0.039 0.000 1.467 22 G CA -0.067 45.052 45.100 0.033 0.000 0.804 22 G HN 0.756 nan 8.290 nan 0.000 0.535 23 G N -1.110 107.712 108.800 0.036 0.000 3.274 23 G HA2 0.434 4.394 3.960 0.000 0.000 0.250 23 G HA3 0.434 4.394 3.960 0.000 0.000 0.250 23 G C 0.448 175.369 174.900 0.034 0.000 1.024 23 G CA -0.022 45.102 45.100 0.040 0.000 0.840 23 G HN 0.592 nan 8.290 nan 0.000 0.522 24 R N 0.897 121.414 120.500 0.028 0.000 2.625 24 R HA 0.348 4.688 4.340 0.000 0.000 0.286 24 R C -2.170 174.143 176.300 0.021 0.000 1.406 24 R CA -1.100 55.015 56.100 0.025 0.000 1.052 24 R CB 1.604 31.917 30.300 0.021 0.000 1.203 24 R HN -0.118 nan 8.270 nan 0.000 0.502 25 P HA -0.086 nan 4.420 nan 0.000 0.239 25 P C 0.644 177.950 177.300 0.009 0.000 1.184 25 P CA 1.222 64.331 63.100 0.016 0.000 0.760 25 P CB 0.366 32.076 31.700 0.017 0.000 0.884 26 T N -3.311 111.250 114.554 0.011 0.000 12.818 26 T HA -0.362 3.988 4.350 0.000 0.000 0.419 26 T C 0.463 175.168 174.700 0.008 0.000 1.441 26 T CA 1.135 63.240 62.100 0.009 0.000 2.373 26 T CB -2.058 66.813 68.868 0.004 0.000 2.831 26 T HN 0.153 nan 8.240 nan 0.000 0.727 27 L N 4.806 126.030 121.223 0.001 0.000 2.704 27 L HA 0.283 4.623 4.340 0.000 0.000 0.279 27 L C -1.214 175.661 176.870 0.007 0.000 1.147 27 L CA -1.280 53.559 54.840 -0.002 0.000 0.994 27 L CB 0.586 42.634 42.059 -0.019 0.000 1.332 27 L HN 0.157 nan 8.230 nan 0.000 0.471 28 P HA -0.266 nan 4.420 nan 0.000 0.216 28 P C 1.757 179.086 177.300 0.048 0.000 1.157 28 P CA 1.528 64.648 63.100 0.033 0.000 0.880 28 P CB 0.117 31.837 31.700 0.034 0.000 0.791 29 I N -1.632 118.967 120.570 0.048 0.000 2.700 29 I HA -0.190 3.980 4.170 0.000 0.000 0.261 29 I C 1.264 177.443 176.117 0.103 0.000 1.219 29 I CA 0.879 62.234 61.300 0.092 0.000 1.463 29 I CB -0.133 37.919 38.000 0.087 0.000 1.092 29 I HN -0.139 nan 8.210 nan 0.000 0.452 30 L N 0.482 121.725 121.223 0.033 0.000 2.465 30 L HA 0.015 4.355 4.340 0.000 0.000 0.224 30 L C 2.217 179.138 176.870 0.085 0.000 1.145 30 L CA 1.278 56.130 54.840 0.019 0.000 0.834 30 L CB -0.986 41.061 42.059 -0.020 0.000 0.944 30 L HN 0.239 nan 8.230 nan 0.000 0.451 31 G N -2.000 106.856 108.800 0.094 0.000 3.088 31 G HA2 -0.008 3.952 3.960 0.000 0.000 0.217 31 G HA3 -0.008 3.952 3.960 0.000 0.000 0.217 31 G C 0.498 175.472 174.900 0.123 0.000 1.159 31 G CA -0.206 44.951 45.100 0.095 0.000 0.760 31 G HN 0.261 nan 8.290 nan 0.000 0.550 32 N N -0.028 118.773 118.700 0.168 0.000 2.466 32 N HA 0.558 5.298 4.740 0.000 0.000 0.294 32 N C -0.390 175.247 175.510 0.211 0.000 1.129 32 N CA -0.496 52.657 53.050 0.171 0.000 0.931 32 N CB 1.851 40.438 38.487 0.168 0.000 1.193 32 N HN -0.069 nan 8.380 nan 0.000 0.500 33 L N 0.978 122.257 121.223 0.094 0.000 2.379 33 L HA 0.447 4.787 4.340 0.000 0.000 0.269 33 L C -0.189 176.513 176.870 -0.281 0.000 1.084 33 L CA -1.030 53.802 54.840 -0.013 0.000 0.802 33 L CB 0.790 42.884 42.059 0.058 0.000 1.175 33 L HN 0.262 nan 8.230 nan 0.000 0.448 34 L N 3.113 123.964 121.223 -0.620 0.000 2.264 34 L HA 0.420 4.760 4.340 0.000 0.000 0.289 34 L C -0.901 175.782 176.870 -0.313 0.000 1.044 34 L CA -0.060 54.364 54.840 -0.694 0.000 0.807 34 L CB 0.870 42.171 42.059 -1.264 0.000 1.192 34 L HN 0.298 nan 8.230 nan 0.000 0.425 35 L N 5.431 126.532 121.223 -0.204 0.000 2.296 35 L HA 0.553 4.893 4.340 0.000 0.000 0.286 35 L C -0.394 176.424 176.870 -0.088 0.000 1.023 35 L CA 0.015 54.790 54.840 -0.108 0.000 0.812 35 L CB 1.608 43.650 42.059 -0.029 0.000 1.223 35 L HN 0.628 nan 8.230 nan 0.000 0.421 36 Q N 2.531 122.277 119.800 -0.090 0.000 2.310 36 Q HA 0.582 4.922 4.340 0.000 0.000 0.270 36 Q C -1.228 174.733 176.000 -0.065 0.000 1.025 36 Q CA -0.589 55.178 55.803 -0.060 0.000 0.772 36 Q CB 2.890 31.591 28.738 -0.062 0.000 1.253 36 Q HN 0.337 nan 8.270 nan 0.000 0.450 37 V N 1.837 121.743 119.914 -0.012 0.000 2.364 37 V HA 0.813 4.933 4.120 0.000 0.000 0.272 37 V C -0.322 175.786 176.094 0.023 0.000 1.036 37 V CA -0.380 61.920 62.300 0.001 0.000 0.880 37 V CB 0.910 32.794 31.823 0.102 0.000 0.991 37 V HN 0.813 nan 8.190 nan 0.000 0.460 38 A N 3.450 126.270 122.820 0.001 0.000 2.488 38 A HA 0.736 5.056 4.320 0.000 0.000 0.298 38 A C -0.399 177.192 177.584 0.013 0.000 1.044 38 A CA 0.005 52.052 52.037 0.016 0.000 0.693 38 A CB 1.485 20.483 19.000 -0.002 0.000 1.272 38 A HN 0.953 nan 8.150 nan 0.000 0.402 39 D N 0.706 121.131 120.400 0.042 0.000 3.507 39 D HA -0.164 4.476 4.640 0.000 0.000 0.195 39 D C 0.972 177.325 176.300 0.088 0.000 1.323 39 D CA 2.605 56.634 54.000 0.048 0.000 1.106 39 D CB -1.039 39.764 40.800 0.004 0.000 0.619 39 D HN 1.359 nan 8.370 nan 0.000 0.732 40 G N -0.581 108.233 108.800 0.023 0.000 3.678 40 G HA2 0.468 4.428 3.960 0.000 0.000 0.287 40 G HA3 0.468 4.428 3.960 0.000 0.000 0.287 40 G C -0.471 174.283 174.900 -0.243 0.000 1.280 40 G CA 0.602 45.633 45.100 -0.115 0.000 1.118 40 G HN 0.374 nan 8.290 nan 0.000 0.563 41 T N 0.788 115.231 114.554 -0.185 0.000 2.881 41 T HA 0.352 4.702 4.350 0.000 0.000 0.290 41 T C -0.551 174.031 174.700 -0.198 0.000 1.000 41 T CA -0.494 61.494 62.100 -0.186 0.000 0.978 41 T CB 2.165 70.955 68.868 -0.130 0.000 0.997 41 T HN 0.009 nan 8.240 nan 0.000 0.443 42 L N 3.229 124.295 121.223 -0.262 0.000 2.313 42 L HA 0.462 4.802 4.340 0.000 0.000 0.282 42 L C -0.191 176.544 176.870 -0.225 0.000 1.092 42 L CA -0.026 54.630 54.840 -0.307 0.000 0.831 42 L CB 0.741 42.498 42.059 -0.504 0.000 1.159 42 L HN 0.645 nan 8.230 nan 0.000 0.442 43 S N 5.549 121.144 115.700 -0.175 0.000 2.472 43 S HA 0.682 5.153 4.470 0.000 0.000 0.303 43 S C -0.648 173.880 174.600 -0.120 0.000 1.099 43 S CA -0.579 57.538 58.200 -0.139 0.000 1.077 43 S CB 1.855 64.992 63.200 -0.104 0.000 1.031 43 S HN 0.404 nan 8.310 nan 0.000 0.487 44 L N 2.429 123.598 121.223 -0.090 0.000 2.356 44 L HA 0.621 4.961 4.340 0.000 0.000 0.277 44 L C -0.076 176.783 176.870 -0.018 0.000 0.996 44 L CA -0.217 54.594 54.840 -0.049 0.000 0.822 44 L CB 2.024 44.086 42.059 0.004 0.000 1.256 44 L HN 0.545 nan 8.230 nan 0.000 0.413 45 T N 1.341 115.874 114.554 -0.036 0.000 2.881 45 T HA 0.774 5.124 4.350 0.000 0.000 0.290 45 T C -0.127 174.660 174.700 0.146 0.000 1.000 45 T CA -0.778 61.355 62.100 0.055 0.000 0.978 45 T CB 1.872 70.784 68.868 0.074 0.000 0.997 45 T HN 0.752 nan 8.240 nan 0.000 0.443 46 G N 0.578 109.513 108.800 0.226 0.000 2.519 46 G HA2 0.719 4.679 3.960 0.000 0.000 0.307 46 G HA3 0.719 4.679 3.960 0.000 0.000 0.307 46 G C -1.105 173.940 174.900 0.241 0.000 1.266 46 G CA -0.593 44.678 45.100 0.285 0.000 0.970 46 G HN 0.760 nan 8.290 nan 0.000 0.481 47 T N -1.073 113.590 114.554 0.181 0.000 2.853 47 T HA 0.465 4.816 4.350 0.000 0.000 0.311 47 T C -1.192 173.511 174.700 0.004 0.000 1.307 47 T CA -0.252 61.882 62.100 0.056 0.000 1.019 47 T CB 1.987 70.826 68.868 -0.049 0.000 1.264 47 T HN 0.627 nan 8.240 nan 0.000 0.497 48 D N 2.456 122.852 120.400 -0.006 0.000 2.599 48 D HA 0.246 4.887 4.640 0.000 0.000 0.249 48 D C 1.156 177.431 176.300 -0.042 0.000 1.313 48 D CA -0.291 53.698 54.000 -0.018 0.000 0.815 48 D CB 0.132 40.941 40.800 0.014 0.000 1.077 48 D HN 0.339 nan 8.370 nan 0.000 0.492 49 L N -0.264 120.916 121.223 -0.071 0.000 3.211 49 L HA -0.232 4.108 4.340 0.000 0.000 0.417 49 L C 1.424 178.259 176.870 -0.059 0.000 0.707 49 L CA 1.764 56.557 54.840 -0.077 0.000 2.938 49 L CB -1.231 40.787 42.059 -0.068 0.000 0.825 49 L HN 0.141 nan 8.230 nan 0.000 0.704 50 E N -0.365 119.811 120.200 -0.041 0.000 2.166 50 E HA 0.226 4.576 4.350 0.000 0.000 0.192 50 E C 0.969 177.529 176.600 -0.066 0.000 0.967 50 E CA 1.300 57.674 56.400 -0.043 0.000 0.840 50 E CB 0.245 29.937 29.700 -0.014 0.000 0.795 50 E HN 0.691 nan 8.360 nan 0.000 0.470 51 M N -0.901 118.675 119.600 -0.040 0.000 2.667 51 M HA 0.583 5.063 4.480 0.000 0.000 0.286 51 M C -0.903 175.379 176.300 -0.030 0.000 1.270 51 M CA -0.807 54.443 55.300 -0.083 0.000 0.826 51 M CB 3.116 35.741 32.600 0.041 0.000 1.743 51 M HN -0.267 nan 8.290 nan 0.000 0.460 52 E N 1.734 121.890 120.200 -0.074 0.000 2.304 52 E HA 0.581 4.931 4.350 0.000 0.000 0.277 52 E C -2.225 174.434 176.600 0.097 0.000 0.898 52 E CA -0.699 55.721 56.400 0.032 0.000 0.764 52 E CB 2.757 32.464 29.700 0.012 0.000 1.216 52 E HN 0.788 nan 8.360 nan 0.000 0.419 53 M N 4.600 124.319 119.600 0.198 0.000 2.311 53 M HA 0.445 4.925 4.480 0.000 0.000 0.325 53 M C -2.115 174.285 176.300 0.168 0.000 1.061 53 M CA -0.610 54.836 55.300 0.244 0.000 0.957 53 M CB 1.750 34.512 32.600 0.270 0.000 1.646 53 M HN 0.284 nan 8.290 nan 0.000 0.434 54 V N 4.305 124.302 119.914 0.138 0.000 2.588 54 V HA 0.952 5.072 4.120 0.000 0.000 0.304 54 V C -0.549 175.554 176.094 0.015 0.000 1.042 54 V CA -0.709 61.629 62.300 0.064 0.000 0.877 54 V CB 1.427 33.266 31.823 0.027 0.000 0.996 54 V HN 0.989 nan 8.190 nan 0.000 0.425 55 A N 4.821 127.614 122.820 -0.045 0.000 2.374 55 A HA 0.979 5.299 4.320 0.000 0.000 0.317 55 A C -0.664 176.756 177.584 -0.273 0.000 1.094 55 A CA -0.806 51.086 52.037 -0.241 0.000 0.765 55 A CB 1.593 20.514 19.000 -0.132 0.000 1.268 55 A HN 0.743 nan 8.150 nan 0.000 0.438 56 R N -0.160 120.104 120.500 -0.394 0.000 2.494 56 R HA 0.587 4.927 4.340 0.000 0.000 0.305 56 R C -0.812 175.316 176.300 -0.288 0.000 0.959 56 R CA -0.436 55.495 56.100 -0.281 0.000 0.864 56 R CB 1.912 32.070 30.300 -0.237 0.000 1.159 56 R HN 0.952 nan 8.270 nan 0.000 0.446 57 V N 0.191 119.967 119.914 -0.230 0.000 2.588 57 V HA 0.870 4.990 4.120 0.000 0.000 0.304 57 V C -0.214 175.765 176.094 -0.191 0.000 1.042 57 V CA -1.145 61.032 62.300 -0.205 0.000 0.877 57 V CB 1.897 33.621 31.823 -0.165 0.000 0.996 57 V HN 0.851 nan 8.190 nan 0.000 0.425 58 A N 6.267 128.985 122.820 -0.170 0.000 2.492 58 A HA 0.574 4.894 4.320 0.000 0.000 0.254 58 A C 0.047 177.546 177.584 -0.141 0.000 1.091 58 A CA -0.171 51.777 52.037 -0.148 0.000 0.768 58 A CB -0.316 18.611 19.000 -0.122 0.000 1.028 58 A HN 1.066 nan 8.150 nan 0.000 0.498 59 L N 4.177 125.280 121.223 -0.201 0.000 2.270 59 L HA 0.197 4.537 4.340 0.000 0.000 0.286 59 L C 1.080 177.882 176.870 -0.112 0.000 1.059 59 L CA -0.305 54.404 54.840 -0.217 0.000 0.839 59 L CB 1.190 42.935 42.059 -0.523 0.000 1.221 59 L HN 0.635 nan 8.230 nan 0.000 0.431 60 V N 3.401 123.316 119.914 0.003 0.000 3.506 60 V HA 0.075 4.195 4.120 0.000 0.000 0.263 60 V C 0.975 177.133 176.094 0.107 0.000 1.203 60 V CA 0.676 63.009 62.300 0.055 0.000 1.133 60 V CB 0.186 32.041 31.823 0.053 0.000 0.802 60 V HN 0.788 nan 8.190 nan 0.000 0.459 61 Q N 1.430 121.310 119.800 0.135 0.000 2.204 61 Q HA 0.410 4.750 4.340 0.000 0.000 0.254 61 Q C -2.459 173.722 176.000 0.302 0.000 0.981 61 Q CA -2.203 53.702 55.803 0.169 0.000 0.897 61 Q CB 0.980 29.803 28.738 0.142 0.000 1.273 61 Q HN 0.183 nan 8.270 nan 0.000 0.464 62 P HA -0.040 nan 4.420 nan 0.000 0.265 62 P C -1.227 176.191 177.300 0.196 0.000 1.193 62 P CA 0.629 63.806 63.100 0.129 0.000 0.765 62 P CB 0.455 32.174 31.700 0.032 0.000 0.823 63 H N 0.158 119.269 119.070 0.070 0.000 2.990 63 H HA 0.594 5.150 4.556 0.000 0.000 0.343 63 H C -1.192 174.176 175.328 0.066 0.000 1.270 63 H CA -0.937 55.169 56.048 0.096 0.000 1.118 63 H CB 2.114 31.949 29.762 0.122 0.000 1.861 63 H HN 0.451 nan 8.280 nan 0.000 0.544 64 E N 1.580 121.861 120.200 0.134 0.000 2.293 64 E HA 0.374 4.724 4.350 0.000 0.000 0.270 64 E C -2.988 173.683 176.600 0.118 0.000 0.879 64 E CA -2.217 54.222 56.400 0.065 0.000 0.756 64 E CB 3.204 32.924 29.700 0.033 0.000 1.208 64 E HN 0.302 nan 8.360 nan 0.000 0.428 65 P HA 0.411 nan 4.420 nan 0.000 0.274 65 P C -0.127 177.209 177.300 0.060 0.000 1.246 65 P CA 0.255 63.404 63.100 0.081 0.000 0.795 65 P CB 1.092 32.825 31.700 0.055 0.000 1.006 66 G N -1.071 107.759 108.800 0.050 0.000 2.369 66 G HA2 0.511 4.471 3.960 0.000 0.000 0.307 66 G HA3 0.511 4.471 3.960 0.000 0.000 0.307 66 G C -2.138 172.779 174.900 0.027 0.000 1.327 66 G CA -0.020 45.101 45.100 0.035 0.000 0.963 66 G HN 0.608 nan 8.290 nan 0.000 0.590 67 A N -1.006 121.821 122.820 0.011 0.000 2.517 67 A HA 1.000 5.320 4.320 0.000 0.000 0.297 67 A C -0.373 177.197 177.584 -0.023 0.000 1.050 67 A CA 0.625 52.655 52.037 -0.012 0.000 0.694 67 A CB 1.831 20.817 19.000 -0.023 0.000 1.277 67 A HN 2.072 nan 8.150 nan 0.000 0.400 68 T N -0.299 114.226 114.554 -0.049 0.000 2.681 68 T HA 0.788 5.138 4.350 0.000 0.000 0.296 68 T C -1.225 173.409 174.700 -0.110 0.000 1.157 68 T CA -0.042 62.022 62.100 -0.060 0.000 1.025 68 T CB 1.923 70.761 68.868 -0.050 0.000 1.441 68 T HN 0.846 nan 8.240 nan 0.000 0.504 69 T N 1.587 116.089 114.554 -0.087 0.000 2.949 69 T HA 0.644 4.994 4.350 0.000 0.000 0.300 69 T C -0.772 173.895 174.700 -0.056 0.000 0.988 69 T CA -0.458 61.585 62.100 -0.095 0.000 0.993 69 T CB 0.623 69.485 68.868 -0.010 0.000 0.984 69 T HN 0.725 nan 8.240 nan 0.000 0.442 70 V N 2.452 122.321 119.914 -0.075 0.000 2.960 70 V HA 0.812 4.932 4.120 0.000 0.000 0.315 70 V C -2.919 173.190 176.094 0.025 0.000 1.087 70 V CA -3.456 58.810 62.300 -0.057 0.000 0.982 70 V CB 1.561 33.272 31.823 -0.185 0.000 1.039 70 V HN 0.468 nan 8.190 nan 0.000 0.437 71 P HA 0.228 nan 4.420 nan 0.000 0.265 71 P C 0.563 177.956 177.300 0.154 0.000 1.222 71 P CA 0.554 63.713 63.100 0.098 0.000 0.767 71 P CB 0.966 32.719 31.700 0.089 0.000 0.801 72 A N 5.204 128.118 122.820 0.156 0.000 1.873 72 A HA -0.179 4.141 4.320 0.000 0.000 0.215 72 A C 2.221 179.937 177.584 0.222 0.000 1.186 72 A CA 1.206 53.360 52.037 0.195 0.000 0.616 72 A CB -0.743 18.341 19.000 0.139 0.000 0.823 72 A HN 0.438 nan 8.150 nan 0.000 0.442 73 R N -0.132 120.470 120.500 0.170 0.000 2.090 73 R HA -0.085 4.255 4.340 0.000 0.000 0.228 73 R C 2.034 178.445 176.300 0.185 0.000 1.110 73 R CA 1.575 57.787 56.100 0.187 0.000 0.973 73 R CB -0.201 30.177 30.300 0.130 0.000 0.869 73 R HN 0.512 nan 8.270 nan 0.000 0.440 74 K N -0.330 120.162 120.400 0.155 0.000 2.026 74 K HA -0.159 4.161 4.320 0.000 0.000 0.208 74 K C 1.924 178.612 176.600 0.148 0.000 1.048 74 K CA 1.506 57.866 56.287 0.121 0.000 0.929 74 K CB -0.327 32.239 32.500 0.110 0.000 0.713 74 K HN 0.078 nan 8.250 nan 0.000 0.439 75 F N 1.124 121.096 119.950 0.036 0.000 2.134 75 F HA -0.208 4.319 4.527 0.000 0.000 0.299 75 F C 1.975 177.808 175.800 0.056 0.000 1.097 75 F CA 1.026 59.042 58.000 0.026 0.000 1.264 75 F CB -0.492 38.549 39.000 0.068 0.000 1.001 75 F HN -0.033 nan 8.300 nan 0.000 0.479 76 F N 1.338 121.242 119.950 -0.076 0.000 2.134 76 F HA -0.157 4.370 4.527 0.000 0.000 0.299 76 F C 2.156 177.854 175.800 -0.171 0.000 1.097 76 F CA 1.982 59.873 58.000 -0.182 0.000 1.264 76 F CB -0.889 38.072 39.000 -0.065 0.000 1.001 76 F HN -0.092 nan 8.300 nan 0.000 0.479 77 D N 0.537 120.809 120.400 -0.215 0.000 2.144 77 D HA -0.159 4.481 4.640 0.000 0.000 0.199 77 D C 2.463 178.552 176.300 -0.352 0.000 0.984 77 D CA 1.586 55.404 54.000 -0.304 0.000 0.834 77 D CB -0.336 40.403 40.800 -0.103 0.000 0.955 77 D HN 0.366 nan 8.370 nan 0.000 0.465 78 I N 0.184 120.542 120.570 -0.353 0.000 2.202 78 I HA -0.265 3.905 4.170 0.000 0.000 0.242 78 I C 2.390 178.240 176.117 -0.445 0.000 1.091 78 I CA 0.628 61.623 61.300 -0.509 0.000 1.368 78 I CB -0.111 37.484 38.000 -0.675 0.000 1.058 78 I HN 0.069 nan 8.210 nan 0.000 0.410 79 C N 0.191 119.219 119.300 -0.454 0.000 2.432 79 C HA -0.149 4.311 4.460 0.000 0.000 0.277 79 C C 2.941 177.717 174.990 -0.355 0.000 1.249 79 C CA 0.763 59.546 59.018 -0.391 0.000 1.725 79 C CB -1.146 26.315 27.740 -0.465 0.000 2.028 79 C HN 0.443 nan 8.230 nan 0.000 0.477 80 R N 0.763 120.954 120.500 -0.515 0.000 2.105 80 R HA -0.119 4.221 4.340 0.000 0.000 0.239 80 R C 2.209 178.335 176.300 -0.289 0.000 1.135 80 R CA 1.859 57.675 56.100 -0.474 0.000 0.967 80 R CB -0.587 29.255 30.300 -0.763 0.000 0.861 80 R HN 0.600 nan 8.270 nan 0.000 0.442 81 G N 0.563 109.202 108.800 -0.269 0.000 2.448 81 G HA2 -0.033 3.927 3.960 0.000 0.000 0.218 81 G HA3 -0.033 3.927 3.960 0.000 0.000 0.218 81 G C 0.632 175.467 174.900 -0.108 0.000 1.135 81 G CA 0.001 45.001 45.100 -0.167 0.000 0.784 81 G HN 0.123 nan 8.290 nan 0.000 0.543 82 L N 1.789 122.939 121.223 -0.120 0.000 2.464 82 L HA 0.239 4.579 4.340 0.000 0.000 0.264 82 L C -1.570 175.268 176.870 -0.054 0.000 1.199 82 L CA -1.780 53.026 54.840 -0.056 0.000 0.818 82 L CB 0.707 42.735 42.059 -0.052 0.000 1.102 82 L HN 0.018 nan 8.230 nan 0.000 0.473 83 P HA -0.020 nan 4.420 nan 0.000 0.272 83 P C -0.686 176.593 177.300 -0.034 0.000 1.223 83 P CA -0.371 62.712 63.100 -0.027 0.000 0.784 83 P CB 0.464 32.156 31.700 -0.012 0.000 0.923 84 E N 0.964 121.144 120.200 -0.033 0.000 2.694 84 E HA 0.063 4.413 4.350 0.000 0.000 0.250 84 E C 1.092 177.673 176.600 -0.032 0.000 0.963 84 E CA 1.125 57.505 56.400 -0.033 0.000 0.949 84 E CB -0.735 28.950 29.700 -0.024 0.000 0.911 84 E HN 0.805 nan 8.360 nan 0.000 0.500 85 G N 2.533 111.307 108.800 -0.043 0.000 2.157 85 G HA2 -0.299 3.661 3.960 0.000 0.000 0.248 85 G HA3 -0.299 3.661 3.960 0.000 0.000 0.248 85 G C 0.256 175.131 174.900 -0.043 0.000 0.979 85 G CA -0.004 45.068 45.100 -0.048 0.000 0.650 85 G HN 0.859 nan 8.290 nan 0.000 0.529 86 A N -0.203 122.595 122.820 -0.037 0.000 2.462 86 A HA 0.588 4.908 4.320 0.000 0.000 0.243 86 A C 0.438 178.009 177.584 -0.022 0.000 1.076 86 A CA 0.582 52.607 52.037 -0.021 0.000 0.773 86 A CB 0.420 19.412 19.000 -0.014 0.000 1.010 86 A HN 0.531 nan 8.150 nan 0.000 0.493 87 E N 1.213 121.411 120.200 -0.004 0.000 2.229 87 E HA 0.474 4.824 4.350 0.000 0.000 0.283 87 E C -0.857 175.762 176.600 0.033 0.000 1.030 87 E CA 0.116 56.523 56.400 0.012 0.000 0.836 87 E CB 0.404 30.114 29.700 0.017 0.000 1.068 87 E HN 0.446 nan 8.360 nan 0.000 0.401 88 I N 3.346 123.949 120.570 0.055 0.000 2.355 88 I HA 0.474 4.644 4.170 0.000 0.000 0.288 88 I C -0.334 175.822 176.117 0.064 0.000 0.999 88 I CA -0.977 60.367 61.300 0.073 0.000 1.163 88 I CB 1.666 39.722 38.000 0.093 0.000 1.316 88 I HN 0.478 nan 8.210 nan 0.000 0.454 89 A N 6.853 129.683 122.820 0.016 0.000 2.288 89 A HA 0.786 5.106 4.320 0.000 0.000 0.320 89 A C -0.631 176.857 177.584 -0.159 0.000 1.217 89 A CA -0.452 51.546 52.037 -0.065 0.000 0.840 89 A CB 1.113 20.096 19.000 -0.029 0.000 1.179 89 A HN 0.468 nan 8.150 nan 0.000 0.504 90 V N 2.773 122.438 119.914 -0.415 0.000 2.656 90 V HA 0.551 4.671 4.120 0.000 0.000 0.307 90 V C -0.233 175.611 176.094 -0.417 0.000 1.051 90 V CA -0.408 61.578 62.300 -0.524 0.000 0.893 90 V CB 1.657 32.822 31.823 -1.097 0.000 0.999 90 V HN 0.996 nan 8.190 nan 0.000 0.426 91 Q N 2.426 122.087 119.800 -0.230 0.000 2.315 91 Q HA 0.515 4.855 4.340 0.000 0.000 0.273 91 Q C -1.746 174.197 176.000 -0.095 0.000 1.053 91 Q CA -0.924 54.799 55.803 -0.134 0.000 0.817 91 Q CB 2.798 31.485 28.738 -0.085 0.000 1.326 91 Q HN 0.572 nan 8.270 nan 0.000 0.423 92 L N 2.738 123.924 121.223 -0.062 0.000 2.367 92 L HA 0.232 4.572 4.340 0.000 0.000 0.275 92 L C -0.626 176.225 176.870 -0.031 0.000 1.129 92 L CA 0.962 55.777 54.840 -0.041 0.000 0.839 92 L CB 0.685 42.730 42.059 -0.023 0.000 1.133 92 L HN 0.584 nan 8.230 nan 0.000 0.453 93 E N 3.780 123.964 120.200 -0.027 0.000 2.580 93 E HA 0.474 4.824 4.350 0.000 0.000 0.248 93 E C 0.409 177.001 176.600 -0.014 0.000 1.018 93 E CA 0.171 56.559 56.400 -0.019 0.000 0.775 93 E CB 0.891 30.579 29.700 -0.020 0.000 1.378 93 E HN 0.859 nan 8.360 nan 0.000 0.401 94 G N 3.200 111.994 108.800 -0.011 0.000 2.536 94 G HA2 -0.384 3.577 3.960 0.000 0.000 0.277 94 G HA3 -0.384 3.577 3.960 0.000 0.000 0.277 94 G C 0.597 175.493 174.900 -0.006 0.000 1.155 94 G CA 0.378 45.474 45.100 -0.007 0.000 0.960 94 G HN 0.490 nan 8.290 nan 0.000 0.544 95 E N 1.582 121.779 120.200 -0.004 0.000 2.419 95 E HA 0.338 4.688 4.350 0.000 0.000 0.190 95 E C 0.967 177.564 176.600 -0.004 0.000 1.040 95 E CA 0.112 56.511 56.400 -0.002 0.000 0.900 95 E CB 0.090 29.792 29.700 0.003 0.000 1.054 95 E HN 0.419 nan 8.360 nan 0.000 0.462 96 R N 0.002 120.496 120.500 -0.009 0.000 2.744 96 R HA 0.459 4.800 4.340 0.000 0.000 0.279 96 R C -0.872 175.413 176.300 -0.025 0.000 0.977 96 R CA -0.867 55.226 56.100 -0.011 0.000 0.906 96 R CB 1.973 32.272 30.300 -0.003 0.000 1.197 96 R HN 0.124 nan 8.270 nan 0.000 0.463 97 M N 2.977 122.556 119.600 -0.035 0.000 2.227 97 M HA 0.326 4.806 4.480 0.000 0.000 0.335 97 M C -1.506 174.774 176.300 -0.034 0.000 1.053 97 M CA -0.954 54.309 55.300 -0.062 0.000 0.973 97 M CB 0.986 33.513 32.600 -0.121 0.000 1.623 97 M HN 0.319 nan 8.290 nan 0.000 0.434 98 L N 5.556 126.757 121.223 -0.036 0.000 2.312 98 L HA 0.584 4.925 4.340 0.000 0.000 0.281 98 L C -0.784 176.090 176.870 0.007 0.000 1.070 98 L CA -0.255 54.585 54.840 -0.001 0.000 0.805 98 L CB 1.778 43.826 42.059 -0.019 0.000 1.174 98 L HN 0.464 nan 8.230 nan 0.000 0.434 99 V N 3.981 123.960 119.914 0.107 0.000 2.525 99 V HA 0.605 4.725 4.120 0.000 0.000 0.299 99 V C -0.281 175.943 176.094 0.216 0.000 1.034 99 V CA -0.810 61.592 62.300 0.171 0.000 0.863 99 V CB 1.722 33.726 31.823 0.302 0.000 0.999 99 V HN 0.667 nan 8.190 nan 0.000 0.423 100 R N 2.423 122.997 120.500 0.122 0.000 2.686 100 R HA 0.845 5.185 4.340 0.000 0.000 0.286 100 R C -0.847 175.509 176.300 0.094 0.000 0.969 100 R CA -0.553 55.601 56.100 0.091 0.000 0.898 100 R CB 2.266 32.580 30.300 0.024 0.000 1.183 100 R HN 0.671 nan 8.270 nan 0.000 0.456 101 S N 0.979 116.738 115.700 0.098 0.000 2.592 101 S HA 0.546 5.016 4.470 0.000 0.000 0.275 101 S C 0.303 174.934 174.600 0.052 0.000 1.169 101 S CA 0.302 58.545 58.200 0.072 0.000 0.958 101 S CB 1.273 64.525 63.200 0.087 0.000 1.095 101 S HN 0.959 nan 8.310 nan 0.000 0.471 102 G N 4.754 113.571 108.800 0.028 0.000 2.672 102 G HA2 -0.303 3.658 3.960 0.000 0.000 0.324 102 G HA3 -0.303 3.658 3.960 0.000 0.000 0.324 102 G C 0.119 175.021 174.900 0.003 0.000 1.286 102 G CA 0.794 45.903 45.100 0.015 0.000 1.004 102 G HN 0.846 nan 8.290 nan 0.000 0.548 103 R N 0.721 121.218 120.500 -0.004 0.000 2.694 103 R HA 0.480 4.820 4.340 0.000 0.000 0.334 103 R C -0.151 176.120 176.300 -0.049 0.000 1.143 103 R CA 0.300 56.385 56.100 -0.026 0.000 1.073 103 R CB 0.513 30.799 30.300 -0.025 0.000 1.366 103 R HN 0.309 nan 8.270 nan 0.000 0.577 104 S N 0.749 116.429 115.700 -0.034 0.000 2.475 104 S HA 0.490 4.960 4.470 0.000 0.000 0.298 104 S C -0.510 173.970 174.600 -0.200 0.000 1.119 104 S CA -0.738 57.399 58.200 -0.105 0.000 1.085 104 S CB 1.978 65.250 63.200 0.119 0.000 1.028 104 S HN 0.332 nan 8.310 nan 0.000 0.489 105 R N 1.887 122.059 120.500 -0.547 0.000 2.651 105 R HA 0.638 4.978 4.340 0.000 0.000 0.278 105 R C -2.120 173.638 176.300 -0.903 0.000 1.010 105 R CA -0.558 55.270 56.100 -0.454 0.000 0.896 105 R CB 0.960 31.122 30.300 -0.229 0.000 1.211 105 R HN 0.545 nan 8.270 nan 0.000 0.456 106 F N 1.243 121.201 119.950 0.013 0.000 2.569 106 F HA 0.398 4.926 4.527 0.000 0.000 0.312 106 F C -0.388 175.418 175.800 0.012 0.000 1.109 106 F CA -0.734 57.279 58.000 0.022 0.000 0.919 106 F CB 2.696 41.724 39.000 0.048 0.000 1.211 106 F HN 0.537 nan 8.300 nan 0.000 0.446 107 S N 3.291 119.071 115.700 0.133 0.000 2.596 107 S HA 0.820 5.290 4.470 0.000 0.000 0.318 107 S C -1.101 173.553 174.600 0.090 0.000 1.097 107 S CA -0.733 57.516 58.200 0.082 0.000 1.080 107 S CB 0.794 64.012 63.200 0.030 0.000 0.991 107 S HN 0.581 nan 8.310 nan 0.000 0.471 108 L N 3.065 124.329 121.223 0.069 0.000 2.343 108 L HA 0.552 4.893 4.340 0.000 0.000 0.275 108 L C 0.850 177.733 176.870 0.021 0.000 1.056 108 L CA -0.797 54.074 54.840 0.051 0.000 0.804 108 L CB 1.758 43.835 42.059 0.029 0.000 1.203 108 L HN 0.906 nan 8.230 nan 0.000 0.440 109 S N 0.280 115.996 115.700 0.027 0.000 2.579 109 S HA 0.442 4.912 4.470 0.000 0.000 0.275 109 S C 0.014 174.618 174.600 0.007 0.000 1.345 109 S CA -0.528 57.683 58.200 0.019 0.000 1.031 109 S CB 1.059 64.275 63.200 0.027 0.000 0.892 109 S HN 0.745 nan 8.310 nan 0.000 0.529 110 T N -0.710 113.846 114.554 0.005 0.000 2.888 110 T HA 0.767 5.117 4.350 0.000 0.000 0.288 110 T C -1.069 173.641 174.700 0.016 0.000 1.063 110 T CA -0.940 61.160 62.100 -0.000 0.000 1.010 110 T CB 1.040 69.898 68.868 -0.017 0.000 1.214 110 T HN 0.462 nan 8.240 nan 0.000 0.533 111 L N 1.167 122.404 121.223 0.023 0.000 2.422 111 L HA 0.645 4.985 4.340 0.000 0.000 0.264 111 L C -2.689 174.208 176.870 0.045 0.000 0.984 111 L CA -2.407 52.459 54.840 0.043 0.000 0.819 111 L CB 2.048 44.148 42.059 0.068 0.000 1.330 111 L HN 0.529 nan 8.230 nan 0.000 0.410 112 P HA 0.162 nan 4.420 nan 0.000 0.267 112 P C 0.178 177.517 177.300 0.066 0.000 1.209 112 P CA -0.048 63.077 63.100 0.043 0.000 0.763 112 P CB 0.789 32.513 31.700 0.039 0.000 0.816 113 A N 5.246 128.089 122.820 0.039 0.000 1.903 113 A HA -0.261 4.059 4.320 0.000 0.000 0.219 113 A C 2.143 179.784 177.584 0.095 0.000 1.191 113 A CA 2.374 54.435 52.037 0.040 0.000 0.638 113 A CB -1.675 17.320 19.000 -0.007 0.000 0.823 113 A HN 0.529 nan 8.150 nan 0.000 0.451 114 A N -0.729 122.130 122.820 0.065 0.000 2.139 114 A HA -0.189 4.131 4.320 0.000 0.000 0.221 114 A C 1.463 179.095 177.584 0.081 0.000 1.159 114 A CA 2.104 54.179 52.037 0.064 0.000 0.662 114 A CB -0.564 18.461 19.000 0.041 0.000 0.796 114 A HN 0.530 nan 8.150 nan 0.000 0.463 115 D N -2.451 118.010 120.400 0.102 0.000 2.360 115 D HA 0.193 4.833 4.640 0.000 0.000 0.210 115 D C 0.073 176.446 176.300 0.122 0.000 1.047 115 D CA -0.126 53.929 54.000 0.091 0.000 0.854 115 D CB -0.014 40.830 40.800 0.073 0.000 0.936 115 D HN 0.388 nan 8.370 nan 0.000 0.514 116 F N 2.034 121.990 119.950 0.009 0.000 2.538 116 F HA 0.232 4.759 4.527 0.000 0.000 0.371 116 F C -1.863 173.943 175.800 0.011 0.000 1.087 116 F CA -2.469 55.538 58.000 0.011 0.000 1.250 116 F CB 0.472 39.480 39.000 0.012 0.000 1.110 116 F HN -0.183 nan 8.300 nan 0.000 0.570 117 P HA 0.021 nan 4.420 nan 0.000 0.263 117 P C -1.268 175.932 177.300 -0.166 0.000 1.195 117 P CA 0.227 63.151 63.100 -0.293 0.000 0.762 117 P CB 0.348 31.824 31.700 -0.373 0.000 0.799 118 N N 2.599 121.277 118.700 -0.036 0.000 2.408 118 N HA 0.300 5.040 4.740 0.000 0.000 0.280 118 N C -0.990 174.526 175.510 0.010 0.000 1.002 118 N CA -0.534 52.531 53.050 0.026 0.000 0.907 118 N CB 0.325 38.843 38.487 0.051 0.000 1.161 118 N HN 0.123 nan 8.380 nan 0.000 0.488 119 L N 2.614 123.853 121.223 0.026 0.000 2.453 119 L HA 0.138 4.478 4.340 0.000 0.000 0.272 119 L C 0.224 177.142 176.870 0.080 0.000 1.182 119 L CA 0.212 55.075 54.840 0.039 0.000 0.858 119 L CB 0.089 42.178 42.059 0.051 0.000 1.120 119 L HN 0.536 nan 8.230 nan 0.000 0.474 120 D N 2.418 122.866 120.400 0.081 0.000 2.443 120 D HA -0.009 4.631 4.640 0.000 0.000 0.239 120 D C -0.176 176.247 176.300 0.206 0.000 1.136 120 D CA -0.094 53.969 54.000 0.105 0.000 0.879 120 D CB 0.535 41.386 40.800 0.084 0.000 1.195 120 D HN 0.401 nan 8.370 nan 0.000 0.443 121 D N 1.475 121.950 120.400 0.125 0.000 2.378 121 D HA 0.199 4.839 4.640 0.000 0.000 0.238 121 D C 0.236 176.638 176.300 0.169 0.000 1.180 121 D CA 0.261 54.294 54.000 0.055 0.000 0.895 121 D CB 0.517 41.290 40.800 -0.045 0.000 1.192 121 D HN 0.349 nan 8.370 nan 0.000 0.438 122 W N -0.562 120.722 121.300 -0.027 0.000 3.066 122 W HA 0.292 4.952 4.660 0.000 0.000 0.330 122 W C -1.262 175.240 176.519 -0.029 0.000 1.253 122 W CA -0.824 56.505 57.345 -0.026 0.000 1.187 122 W CB 0.426 29.867 29.460 -0.031 0.000 1.434 122 W HN 0.069 nan 8.180 nan 0.000 0.572 123 Q N 1.775 121.662 119.800 0.144 0.000 2.256 123 Q HA 0.343 4.683 4.340 0.000 0.000 0.257 123 Q C -0.136 175.960 176.000 0.161 0.000 0.936 123 Q CA -0.630 55.168 55.803 -0.008 0.000 0.903 123 Q CB 2.484 31.229 28.738 0.011 0.000 1.263 123 Q HN 0.393 nan 8.270 nan 0.000 0.440 124 S N 1.049 116.733 115.700 -0.025 0.000 2.548 124 S HA 0.113 4.583 4.470 0.000 0.000 0.277 124 S C 0.354 174.993 174.600 0.066 0.000 1.315 124 S CA -0.018 58.243 58.200 0.101 0.000 1.050 124 S CB 0.550 63.716 63.200 -0.058 0.000 0.918 124 S HN 0.517 nan 8.310 nan 0.000 0.497 125 E N 2.587 122.832 120.200 0.075 0.000 2.391 125 E HA 0.329 4.679 4.350 0.000 0.000 0.206 125 E C -0.736 175.838 176.600 -0.044 0.000 0.851 125 E CA 0.459 56.865 56.400 0.011 0.000 1.059 125 E CB 0.944 30.651 29.700 0.012 0.000 1.065 125 E HN 0.450 nan 8.360 nan 0.000 0.512 126 V N 1.547 121.428 119.914 -0.056 0.000 2.638 126 V HA 0.483 4.603 4.120 0.000 0.000 0.306 126 V C -0.693 175.397 176.094 -0.006 0.000 1.052 126 V CA -0.764 61.508 62.300 -0.046 0.000 0.885 126 V CB 2.096 33.837 31.823 -0.136 0.000 0.999 126 V HN -0.019 nan 8.190 nan 0.000 0.424 127 E N 4.282 124.499 120.200 0.028 0.000 2.367 127 E HA 0.829 5.179 4.350 0.000 0.000 0.273 127 E C -1.615 175.040 176.600 0.091 0.000 0.903 127 E CA -0.663 55.695 56.400 -0.070 0.000 0.764 127 E CB 3.217 32.878 29.700 -0.066 0.000 1.252 127 E HN 0.595 nan 8.360 nan 0.000 0.446 128 F N -1.886 118.073 119.950 0.016 0.000 2.744 128 F HA 0.566 5.093 4.527 0.000 0.000 0.311 128 F C -0.893 174.923 175.800 0.027 0.000 1.144 128 F CA -1.073 56.938 58.000 0.019 0.000 0.938 128 F CB 1.145 40.160 39.000 0.026 0.000 1.292 128 F HN 0.313 nan 8.300 nan 0.000 0.444 129 T N 0.927 115.624 114.554 0.238 0.000 2.912 129 T HA 0.883 5.233 4.350 0.000 0.000 0.288 129 T C -0.934 173.906 174.700 0.234 0.000 1.030 129 T CA -0.651 61.546 62.100 0.162 0.000 1.020 129 T CB 1.936 70.851 68.868 0.078 0.000 1.056 129 T HN 1.503 nan 8.240 nan 0.000 0.480 130 L N -1.229 120.111 121.223 0.194 0.000 2.622 130 L HA 0.825 5.165 4.340 0.000 0.000 0.258 130 L C -3.317 173.620 176.870 0.113 0.000 0.996 130 L CA -2.776 52.159 54.840 0.158 0.000 0.858 130 L CB 1.482 43.661 42.059 0.199 0.000 1.449 130 L HN 0.346 nan 8.230 nan 0.000 0.411 131 P HA 0.167 nan 4.420 nan 0.000 0.268 131 P C -0.047 177.295 177.300 0.069 0.000 1.205 131 P CA -0.055 63.085 63.100 0.065 0.000 0.771 131 P CB 0.784 32.512 31.700 0.048 0.000 0.858 132 Q N 2.272 122.108 119.800 0.061 0.000 2.096 132 Q HA -0.269 4.071 4.340 0.000 0.000 0.208 132 Q C 2.008 178.035 176.000 0.045 0.000 0.993 132 Q CA 2.335 58.170 55.803 0.053 0.000 0.862 132 Q CB -0.619 28.141 28.738 0.037 0.000 0.915 132 Q HN 0.600 nan 8.270 nan 0.000 0.416 133 A N 0.117 122.958 122.820 0.035 0.000 2.019 133 A HA -0.167 4.153 4.320 0.000 0.000 0.219 133 A C 2.161 179.763 177.584 0.029 0.000 1.164 133 A CA 1.752 53.805 52.037 0.027 0.000 0.644 133 A CB -0.628 18.384 19.000 0.021 0.000 0.805 133 A HN 0.336 nan 8.150 nan 0.000 0.449 134 T N -0.463 114.114 114.554 0.038 0.000 2.737 134 T HA -0.156 4.194 4.350 0.000 0.000 0.265 134 T C 1.935 176.662 174.700 0.045 0.000 1.038 134 T CA 1.890 64.012 62.100 0.036 0.000 1.144 134 T CB -0.257 68.636 68.868 0.042 0.000 0.866 134 T HN 0.481 nan 8.240 nan 0.000 0.434 135 M N 1.386 121.032 119.600 0.076 0.000 2.175 135 M HA 0.051 4.531 4.480 0.000 0.000 0.264 135 M C 2.015 178.358 176.300 0.071 0.000 1.063 135 M CA 1.627 56.990 55.300 0.105 0.000 1.119 135 M CB -0.310 32.378 32.600 0.147 0.000 1.377 135 M HN 0.016 nan 8.290 nan 0.000 0.415 136 K N -0.726 119.703 120.400 0.048 0.000 2.097 136 K HA -0.216 4.104 4.320 0.000 0.000 0.205 136 K C 2.202 178.815 176.600 0.022 0.000 1.050 136 K CA 1.397 57.702 56.287 0.030 0.000 0.938 136 K CB -0.146 32.365 32.500 0.018 0.000 0.718 136 K HN 0.209 nan 8.250 nan 0.000 0.442 137 R N 0.972 121.482 120.500 0.018 0.000 2.073 137 R HA -0.110 4.230 4.340 0.000 0.000 0.234 137 R C 2.016 178.313 176.300 -0.005 0.000 1.134 137 R CA 1.363 57.471 56.100 0.012 0.000 0.952 137 R CB -0.964 29.341 30.300 0.008 0.000 0.850 137 R HN 0.175 nan 8.270 nan 0.000 0.433 138 L N 0.506 121.714 121.223 -0.026 0.000 2.012 138 L HA -0.103 4.237 4.340 0.000 0.000 0.210 138 L C 2.334 179.137 176.870 -0.113 0.000 1.073 138 L CA 1.750 56.537 54.840 -0.088 0.000 0.748 138 L CB -0.783 41.219 42.059 -0.095 0.000 0.891 138 L HN 0.279 nan 8.230 nan 0.000 0.431 139 I N -1.232 119.304 120.570 -0.056 0.000 2.286 139 I HA -0.239 3.931 4.170 0.000 0.000 0.245 139 I C 2.217 178.334 176.117 0.001 0.000 1.104 139 I CA 0.912 62.189 61.300 -0.039 0.000 1.397 139 I CB -0.281 37.743 38.000 0.040 0.000 1.072 139 I HN 0.300 nan 8.210 nan 0.000 0.417 140 E N 1.018 121.237 120.200 0.031 0.000 2.208 140 E HA -0.116 4.234 4.350 0.000 0.000 0.193 140 E C 2.281 178.961 176.600 0.132 0.000 0.988 140 E CA 0.956 57.400 56.400 0.074 0.000 0.828 140 E CB -0.076 29.658 29.700 0.057 0.000 0.763 140 E HN 0.482 nan 8.360 nan 0.000 0.478 141 A N 0.865 123.746 122.820 0.101 0.000 2.067 141 A HA -0.125 4.195 4.320 0.000 0.000 0.219 141 A C 2.226 179.955 177.584 0.241 0.000 1.158 141 A CA 1.847 53.998 52.037 0.190 0.000 0.661 141 A CB -0.321 18.733 19.000 0.089 0.000 0.801 141 A HN 0.357 nan 8.150 nan 0.000 0.452 142 T N -4.284 110.295 114.554 0.041 0.000 2.954 142 T HA 0.067 4.417 4.350 0.000 0.000 0.252 142 T C 1.717 176.262 174.700 -0.258 0.000 0.983 142 T CA 0.650 62.655 62.100 -0.157 0.000 0.941 142 T CB -0.287 68.441 68.868 -0.233 0.000 1.141 142 T HN 0.440 nan 8.240 nan 0.000 0.500 143 Q N 1.540 121.298 119.800 -0.070 0.000 2.152 143 Q HA -0.181 4.159 4.340 0.000 0.000 0.206 143 Q C 1.926 177.901 176.000 -0.041 0.000 0.985 143 Q CA 2.193 57.977 55.803 -0.032 0.000 0.863 143 Q CB -0.776 27.995 28.738 0.056 0.000 0.904 143 Q HN 0.767 nan 8.270 nan 0.000 0.422 144 F N -0.763 119.208 119.950 0.033 0.000 2.546 144 F HA 0.170 4.698 4.527 0.000 0.000 0.298 144 F C 1.430 177.244 175.800 0.023 0.000 1.120 144 F CA 0.801 58.827 58.000 0.043 0.000 1.456 144 F CB -0.268 38.752 39.000 0.034 0.000 1.088 144 F HN -0.074 nan 8.300 nan 0.000 0.572 145 S N 0.356 115.635 115.700 -0.702 0.000 2.556 145 S HA 0.283 4.753 4.470 0.000 0.000 0.216 145 S C 0.788 175.224 174.600 -0.273 0.000 0.970 145 S CA -0.365 57.536 58.200 -0.497 0.000 0.912 145 S CB -0.245 62.581 63.200 -0.622 0.000 0.790 145 S HN 0.235 nan 8.310 nan 0.000 0.504 146 M N 1.680 121.145 119.600 -0.225 0.000 2.232 146 M HA 0.316 4.796 4.480 0.000 0.000 0.321 146 M C 0.605 176.719 176.300 -0.310 0.000 1.101 146 M CA -0.243 54.949 55.300 -0.180 0.000 1.181 146 M CB 0.251 32.782 32.600 -0.115 0.000 1.432 146 M HN 0.167 nan 8.290 nan 0.000 0.457 147 A N 1.048 123.705 122.820 -0.271 0.000 2.296 147 A HA 0.272 4.593 4.320 0.000 0.000 0.264 147 A C 0.430 177.762 177.584 -0.420 0.000 1.097 147 A CA -0.382 51.447 52.037 -0.348 0.000 0.811 147 A CB 0.241 19.120 19.000 -0.201 0.000 1.072 147 A HN 0.958 nan 8.150 nan 0.000 0.495 148 H N -0.700 118.378 119.070 0.013 0.000 2.367 148 H HA 0.201 4.757 4.556 0.000 0.000 0.304 148 H C 0.252 175.590 175.328 0.016 0.000 1.023 148 H CA 0.987 57.048 56.048 0.022 0.000 1.342 148 H CB 0.409 30.189 29.762 0.030 0.000 1.486 148 H HN 0.729 nan 8.280 nan 0.000 0.596 149 Q N 1.101 120.972 119.800 0.118 0.000 2.141 149 Q HA 0.097 4.437 4.340 0.000 0.000 0.295 149 Q C -0.692 175.327 176.000 0.032 0.000 0.870 149 Q CA -0.180 55.665 55.803 0.069 0.000 1.096 149 Q CB 1.802 30.585 28.738 0.075 0.000 1.288 149 Q HN 0.256 nan 8.270 nan 0.000 0.418 150 D N 0.239 120.633 120.400 -0.009 0.000 2.423 150 D HA -0.025 4.615 4.640 0.000 0.000 0.238 150 D C 1.358 177.628 176.300 -0.050 0.000 1.142 150 D CA 0.212 54.182 54.000 -0.050 0.000 0.884 150 D CB 1.711 42.432 40.800 -0.131 0.000 1.199 150 D HN -0.027 nan 8.370 nan 0.000 0.438 151 V N 4.144 124.034 119.914 -0.040 0.000 2.332 151 V HA -0.229 3.891 4.120 0.000 0.000 0.248 151 V C 1.346 177.409 176.094 -0.050 0.000 1.055 151 V CA 1.584 63.875 62.300 -0.015 0.000 1.038 151 V CB -0.506 31.313 31.823 -0.006 0.000 0.651 151 V HN 0.483 nan 8.190 nan 0.000 0.450 152 R N 0.834 121.201 120.500 -0.220 0.000 2.853 152 R HA 0.088 4.428 4.340 0.000 0.000 0.238 152 R C 1.256 177.023 176.300 -0.888 0.000 1.538 152 R CA -0.086 55.656 56.100 -0.597 0.000 1.166 152 R CB -0.574 29.301 30.300 -0.709 0.000 1.201 152 R HN 0.724 nan 8.270 nan 0.000 0.606 153 Y N 0.162 120.196 120.300 -0.443 0.000 2.333 153 Y HA -0.272 4.278 4.550 0.000 0.000 0.290 153 Y C 1.313 177.109 175.900 -0.175 0.000 1.144 153 Y CA 0.596 58.567 58.100 -0.216 0.000 1.228 153 Y CB -0.695 37.731 38.460 -0.055 0.000 0.985 153 Y HN 0.520 nan 8.280 nan 0.000 0.542 154 Y N -0.368 119.527 120.300 -0.674 0.000 2.497 154 Y HA 0.067 4.617 4.550 0.000 0.000 0.292 154 Y C 1.611 177.462 175.900 -0.083 0.000 1.137 154 Y CA 0.265 58.161 58.100 -0.340 0.000 1.285 154 Y CB -1.090 37.117 38.460 -0.420 0.000 0.991 154 Y HN 0.173 nan 8.280 nan 0.000 0.556 155 L N 0.647 121.621 121.223 -0.414 0.000 2.395 155 L HA -0.039 4.301 4.340 0.000 0.000 0.218 155 L C 0.572 177.403 176.870 -0.064 0.000 1.130 155 L CA 0.482 55.203 54.840 -0.199 0.000 0.826 155 L CB -0.374 41.476 42.059 -0.349 0.000 0.941 155 L HN 0.248 nan 8.230 nan 0.000 0.451 156 N N 1.269 119.935 118.700 -0.055 0.000 2.623 156 N HA 0.230 4.970 4.740 0.000 0.000 0.263 156 N C 0.355 175.897 175.510 0.054 0.000 1.218 156 N CA 0.275 53.319 53.050 -0.010 0.000 0.949 156 N CB 0.814 39.309 38.487 0.012 0.000 1.270 156 N HN 0.311 nan 8.380 nan 0.000 0.507 157 G N -0.704 108.148 108.800 0.087 0.000 2.490 157 G HA2 0.465 4.425 3.960 0.000 0.000 0.308 157 G HA3 0.465 4.425 3.960 0.000 0.000 0.308 157 G C -1.683 173.282 174.900 0.107 0.000 1.286 157 G CA -0.640 44.522 45.100 0.104 0.000 0.825 157 G HN 0.150 nan 8.290 nan 0.000 0.479 158 M N 0.746 120.399 119.600 0.089 0.000 2.326 158 M HA 0.668 5.148 4.480 0.000 0.000 0.306 158 M C -1.430 174.826 176.300 -0.073 0.000 1.054 158 M CA -0.912 54.376 55.300 -0.020 0.000 0.922 158 M CB 1.972 34.599 32.600 0.043 0.000 1.632 158 M HN 0.527 nan 8.290 nan 0.000 0.436 159 L N 4.838 125.753 121.223 -0.515 0.000 2.367 159 L HA 0.445 4.785 4.340 0.000 0.000 0.275 159 L C -1.734 174.992 176.870 -0.240 0.000 1.129 159 L CA 0.607 55.148 54.840 -0.498 0.000 0.839 159 L CB 0.406 41.858 42.059 -1.011 0.000 1.133 159 L HN 0.557 nan 8.230 nan 0.000 0.453 160 F N 4.103 123.944 119.950 -0.181 0.000 2.403 160 F HA 0.451 4.978 4.527 0.000 0.000 0.355 160 F C 0.176 175.947 175.800 -0.049 0.000 1.119 160 F CA -0.604 57.347 58.000 -0.081 0.000 1.007 160 F CB 1.196 40.204 39.000 0.013 0.000 1.194 160 F HN 0.471 nan 8.300 nan 0.000 0.443 161 E N 1.857 122.078 120.200 0.035 0.000 2.199 161 E HA 0.529 4.880 4.350 0.000 0.000 0.269 161 E C -0.930 175.677 176.600 0.011 0.000 0.899 161 E CA -0.669 55.748 56.400 0.029 0.000 0.772 161 E CB 1.564 31.257 29.700 -0.012 0.000 1.155 161 E HN 0.599 nan 8.360 nan 0.000 0.408 162 T N 1.197 115.775 114.554 0.040 0.000 2.823 162 T HA 0.537 4.887 4.350 0.000 0.000 0.279 162 T C -0.365 174.334 174.700 -0.002 0.000 0.998 162 T CA -0.798 61.284 62.100 -0.030 0.000 0.994 162 T CB 1.494 70.337 68.868 -0.041 0.000 0.960 162 T HN 0.493 nan 8.240 nan 0.000 0.448 163 E N 1.533 121.712 120.200 -0.034 0.000 2.406 163 E HA 0.461 4.811 4.350 0.000 0.000 0.297 163 E C 0.590 177.175 176.600 -0.025 0.000 0.917 163 E CA 0.002 56.396 56.400 -0.010 0.000 0.795 163 E CB 0.986 30.691 29.700 0.009 0.000 1.285 163 E HN 1.208 nan 8.360 nan 0.000 0.400 164 G N 4.222 113.013 108.800 -0.016 0.000 2.565 164 G HA2 -0.365 3.595 3.960 0.000 0.000 0.295 164 G HA3 -0.365 3.595 3.960 0.000 0.000 0.295 164 G C 0.397 175.275 174.900 -0.035 0.000 1.165 164 G CA 0.615 45.704 45.100 -0.019 0.000 0.977 164 G HN 0.624 nan 8.290 nan 0.000 0.546 165 E N 1.545 121.720 120.200 -0.041 0.000 2.499 165 E HA 0.262 4.612 4.350 0.000 0.000 0.199 165 E C 0.253 176.803 176.600 -0.082 0.000 1.016 165 E CA -0.040 56.327 56.400 -0.055 0.000 0.933 165 E CB 0.521 30.201 29.700 -0.034 0.000 1.050 165 E HN 0.517 nan 8.360 nan 0.000 0.462 166 E N 1.240 121.386 120.200 -0.090 0.000 2.191 166 E HA 0.329 4.679 4.350 0.000 0.000 0.274 166 E C -1.144 175.359 176.600 -0.161 0.000 0.948 166 E CA -0.902 55.434 56.400 -0.106 0.000 0.802 166 E CB 2.058 31.712 29.700 -0.076 0.000 1.137 166 E HN -0.056 nan 8.360 nan 0.000 0.397 167 L N 3.137 124.251 121.223 -0.181 0.000 2.296 167 L HA 0.420 4.760 4.340 0.000 0.000 0.286 167 L C -0.756 176.020 176.870 -0.156 0.000 1.023 167 L CA -0.241 54.482 54.840 -0.194 0.000 0.812 167 L CB 1.145 43.066 42.059 -0.231 0.000 1.223 167 L HN 0.463 nan 8.230 nan 0.000 0.421 168 R N 2.499 122.898 120.500 -0.169 0.000 2.621 168 R HA 0.758 5.098 4.340 0.000 0.000 0.292 168 R C -1.139 174.955 176.300 -0.342 0.000 0.969 168 R CA -0.262 55.694 56.100 -0.240 0.000 0.887 168 R CB 1.548 31.707 30.300 -0.234 0.000 1.180 168 R HN 0.800 nan 8.270 nan 0.000 0.450 169 T N 0.193 114.486 114.554 -0.436 0.000 2.895 169 T HA 0.642 4.992 4.350 0.000 0.000 0.283 169 T C -0.470 173.943 174.700 -0.479 0.000 1.014 169 T CA -0.703 61.053 62.100 -0.573 0.000 1.037 169 T CB 1.741 70.219 68.868 -0.649 0.000 1.006 169 T HN 0.237 nan 8.240 nan 0.000 0.468 170 V N 0.940 120.574 119.914 -0.467 0.000 2.686 170 V HA 0.819 4.939 4.120 0.000 0.000 0.306 170 V C -0.300 175.637 176.094 -0.261 0.000 1.065 170 V CA -1.063 61.028 62.300 -0.349 0.000 0.894 170 V CB 1.511 33.185 31.823 -0.249 0.000 1.004 170 V HN 1.378 nan 8.190 nan 0.000 0.424 171 A N 2.554 125.294 122.820 -0.133 0.000 2.374 171 A HA 0.929 5.250 4.320 0.000 0.000 0.305 171 A C -0.501 177.079 177.584 -0.008 0.000 1.053 171 A CA -0.560 51.461 52.037 -0.027 0.000 0.726 171 A CB 2.109 21.009 19.000 -0.166 0.000 1.229 171 A HN 0.850 nan 8.150 nan 0.000 0.431 172 T N 0.159 114.755 114.554 0.070 0.000 2.916 172 T HA 0.501 4.851 4.350 0.000 0.000 0.305 172 T C -0.696 173.914 174.700 -0.151 0.000 1.119 172 T CA -0.009 62.042 62.100 -0.083 0.000 1.008 172 T CB 1.385 70.196 68.868 -0.094 0.000 1.129 172 T HN 0.684 nan 8.240 nan 0.000 0.480 173 D N 1.116 121.398 120.400 -0.197 0.000 2.363 173 D HA 0.296 4.937 4.640 0.000 0.000 0.214 173 D C 1.478 177.562 176.300 -0.360 0.000 1.093 173 D CA 0.615 54.482 54.000 -0.223 0.000 0.837 173 D CB -0.075 40.647 40.800 -0.129 0.000 0.948 173 D HN 1.076 nan 8.370 nan 0.000 0.507 174 G N 0.049 108.637 108.800 -0.353 0.000 2.194 174 G HA2 -0.299 3.661 3.960 0.000 0.000 0.236 174 G HA3 -0.299 3.661 3.960 0.000 0.000 0.236 174 G C 0.862 175.484 174.900 -0.463 0.000 0.987 174 G CA 0.428 45.269 45.100 -0.431 0.000 0.635 174 G HN 0.475 nan 8.290 nan 0.000 0.520 175 H N -0.030 118.970 119.070 -0.117 0.000 2.274 175 H HA 0.240 4.797 4.556 0.000 0.000 0.271 175 H C 1.442 176.655 175.328 -0.192 0.000 0.945 175 H CA 1.358 57.342 56.048 -0.107 0.000 1.200 175 H CB 0.404 30.121 29.762 -0.075 0.000 1.456 175 H HN 0.611 nan 8.280 nan 0.000 0.536 176 R N 0.799 121.163 120.500 -0.226 0.000 2.740 176 R HA 0.624 4.964 4.340 0.000 0.000 0.282 176 R C -1.222 174.978 176.300 -0.167 0.000 0.969 176 R CA -0.745 55.215 56.100 -0.234 0.000 0.918 176 R CB 1.575 31.613 30.300 -0.437 0.000 1.175 176 R HN 0.127 nan 8.270 nan 0.000 0.464 177 L N 0.646 121.815 121.223 -0.090 0.000 2.362 177 L HA 0.928 5.268 4.340 0.000 0.000 0.271 177 L C -1.145 175.675 176.870 -0.084 0.000 1.002 177 L CA -0.710 54.079 54.840 -0.084 0.000 0.818 177 L CB 2.183 44.219 42.059 -0.038 0.000 1.298 177 L HN 0.987 nan 8.230 nan 0.000 0.420 178 A N 4.280 126.996 122.820 -0.174 0.000 2.365 178 A HA 0.856 5.176 4.320 0.000 0.000 0.318 178 A C -1.532 175.832 177.584 -0.366 0.000 1.091 178 A CA -0.526 51.325 52.037 -0.309 0.000 0.763 178 A CB 1.881 20.724 19.000 -0.262 0.000 1.248 178 A HN 0.493 nan 8.150 nan 0.000 0.442 179 V N 0.792 120.409 119.914 -0.495 0.000 2.733 179 V HA 0.527 4.647 4.120 0.000 0.000 0.306 179 V C -0.793 175.026 176.094 -0.458 0.000 1.084 179 V CA -0.585 61.422 62.300 -0.489 0.000 0.905 179 V CB 1.472 32.947 31.823 -0.580 0.000 1.010 179 V HN 1.136 nan 8.190 nan 0.000 0.424 180 C N 3.591 122.660 119.300 -0.385 0.000 2.547 180 C HA 0.869 5.329 4.460 0.000 0.000 0.313 180 C C -0.069 174.767 174.990 -0.257 0.000 1.191 180 C CA -0.020 58.829 59.018 -0.281 0.000 1.474 180 C CB 1.503 29.116 27.740 -0.211 0.000 2.081 180 C HN 0.932 nan 8.230 nan 0.000 0.476 181 S N 5.963 121.548 115.700 -0.191 0.000 2.614 181 S HA 0.771 5.241 4.470 0.000 0.000 0.288 181 S C -0.968 173.568 174.600 -0.107 0.000 1.137 181 S CA -0.566 57.539 58.200 -0.159 0.000 0.992 181 S CB 1.416 64.531 63.200 -0.142 0.000 1.026 181 S HN 0.739 nan 8.310 nan 0.000 0.486 182 M N 3.892 123.434 119.600 -0.095 0.000 2.457 182 M HA 0.485 4.965 4.480 0.000 0.000 0.300 182 M C -2.927 173.334 176.300 -0.065 0.000 1.141 182 M CA -2.535 52.725 55.300 -0.066 0.000 0.901 182 M CB 1.645 34.215 32.600 -0.050 0.000 1.687 182 M HN 0.248 nan 8.290 nan 0.000 0.449 183 P HA 0.319 nan 4.420 nan 0.000 0.276 183 P C 0.103 177.379 177.300 -0.039 0.000 1.230 183 P CA -0.153 62.920 63.100 -0.045 0.000 0.776 183 P CB 0.505 32.187 31.700 -0.030 0.000 0.888 184 I N -1.860 118.680 120.570 -0.049 0.000 4.102 184 I HA 0.467 4.637 4.170 0.000 0.000 0.325 184 I C 0.933 177.045 176.117 -0.008 0.000 1.471 184 I CA -0.261 61.023 61.300 -0.027 0.000 1.133 184 I CB -0.091 37.882 38.000 -0.045 0.000 1.184 184 I HN 0.510 nan 8.210 nan 0.000 0.451 185 G N 1.661 110.452 108.800 -0.014 0.000 2.160 185 G HA2 -0.239 3.721 3.960 0.000 0.000 0.244 185 G HA3 -0.239 3.721 3.960 0.000 0.000 0.244 185 G C -0.232 174.672 174.900 0.006 0.000 1.022 185 G CA 0.335 45.434 45.100 -0.001 0.000 0.741 185 G HN 0.649 nan 8.290 nan 0.000 0.508 186 Q N -0.496 119.302 119.800 -0.003 0.000 2.315 186 Q HA 0.583 4.923 4.340 0.000 0.000 0.273 186 Q C -0.319 175.676 176.000 -0.008 0.000 1.053 186 Q CA -0.476 55.333 55.803 0.010 0.000 0.817 186 Q CB 2.008 30.772 28.738 0.042 0.000 1.326 186 Q HN 0.396 nan 8.270 nan 0.000 0.423 187 S N 2.222 117.923 115.700 0.002 0.000 2.510 187 S HA 0.387 4.857 4.470 0.000 0.000 0.279 187 S C -0.658 173.944 174.600 0.002 0.000 1.284 187 S CA -0.310 57.889 58.200 -0.002 0.000 1.059 187 S CB 0.153 63.356 63.200 0.004 0.000 0.901 187 S HN 0.373 nan 8.310 nan 0.000 0.491 188 L N 6.385 127.603 121.223 -0.009 0.000 2.354 188 L HA 0.669 5.009 4.340 0.000 0.000 0.269 188 L C -1.916 174.963 176.870 0.014 0.000 1.005 188 L CA -2.199 52.639 54.840 -0.003 0.000 0.819 188 L CB 1.333 43.356 42.059 -0.061 0.000 1.311 188 L HN 0.563 nan 8.230 nan 0.000 0.423 189 P HA 0.136 nan 4.420 nan 0.000 0.272 189 P C -0.678 176.664 177.300 0.071 0.000 1.230 189 P CA -0.359 62.769 63.100 0.046 0.000 0.788 189 P CB 0.573 32.298 31.700 0.042 0.000 0.949 190 S N 1.444 117.192 115.700 0.080 0.000 2.448 190 S HA 0.250 4.720 4.470 0.000 0.000 0.279 190 S C -0.086 174.613 174.600 0.166 0.000 1.195 190 S CA -0.041 58.212 58.200 0.090 0.000 1.051 190 S CB -0.546 62.686 63.200 0.053 0.000 0.948 190 S HN 0.517 nan 8.310 nan 0.000 0.493 191 H N 1.217 120.305 119.070 0.030 0.000 3.085 191 H HA 0.368 4.924 4.556 0.000 0.000 0.356 191 H C -1.537 173.819 175.328 0.046 0.000 1.178 191 H CA -0.365 55.708 56.048 0.043 0.000 1.214 191 H CB 1.745 31.544 29.762 0.062 0.000 1.881 191 H HN 0.570 nan 8.280 nan 0.000 0.538 192 S N 2.717 118.275 115.700 -0.235 0.000 2.538 192 S HA 0.574 5.044 4.470 0.000 0.000 0.288 192 S C -0.489 174.029 174.600 -0.137 0.000 1.108 192 S CA -0.645 57.498 58.200 -0.095 0.000 0.971 192 S CB 2.066 65.219 63.200 -0.078 0.000 1.041 192 S HN 0.546 nan 8.310 nan 0.000 0.483 193 V N -0.263 119.656 119.914 0.008 0.000 3.130 193 V HA 0.722 4.842 4.120 0.000 0.000 0.310 193 V C -1.214 174.893 176.094 0.021 0.000 1.158 193 V CA -1.065 61.241 62.300 0.009 0.000 1.029 193 V CB 1.588 33.440 31.823 0.048 0.000 1.057 193 V HN 0.841 nan 8.190 nan 0.000 0.436 194 I N 1.757 122.339 120.570 0.020 0.000 2.355 194 I HA 0.505 4.675 4.170 0.000 0.000 0.288 194 I C -0.571 175.573 176.117 0.045 0.000 0.999 194 I CA -0.887 60.436 61.300 0.039 0.000 1.163 194 I CB 1.871 39.931 38.000 0.099 0.000 1.316 194 I HN 0.429 nan 8.210 nan 0.000 0.454 195 V N 8.496 128.450 119.914 0.066 0.000 2.465 195 V HA 0.285 4.405 4.120 0.000 0.000 0.279 195 V C -2.012 174.134 176.094 0.086 0.000 1.045 195 V CA -1.760 60.555 62.300 0.024 0.000 0.938 195 V CB 1.108 32.881 31.823 -0.083 0.000 0.986 195 V HN 0.548 nan 8.190 nan 0.000 0.467 196 P HA 0.114 nan 4.420 nan 0.000 0.268 196 P C 0.611 177.969 177.300 0.096 0.000 1.205 196 P CA -0.299 62.855 63.100 0.090 0.000 0.771 196 P CB 0.449 32.194 31.700 0.076 0.000 0.858 197 R N 3.005 123.558 120.500 0.089 0.000 2.127 197 R HA -0.176 4.164 4.340 0.000 0.000 0.238 197 R C 1.802 178.149 176.300 0.078 0.000 1.134 197 R CA 1.430 57.579 56.100 0.083 0.000 0.975 197 R CB -0.690 29.653 30.300 0.073 0.000 0.865 197 R HN 0.281 nan 8.270 nan 0.000 0.447 198 K N 0.608 121.055 120.400 0.079 0.000 2.097 198 K HA -0.072 4.248 4.320 0.000 0.000 0.206 198 K C 2.170 178.817 176.600 0.078 0.000 1.049 198 K CA 1.582 57.911 56.287 0.070 0.000 0.933 198 K CB -0.368 32.175 32.500 0.071 0.000 0.717 198 K HN 0.395 nan 8.250 nan 0.000 0.442 199 G N 0.191 109.070 108.800 0.131 0.000 2.402 199 G HA2 -0.186 3.774 3.960 0.000 0.000 0.216 199 G HA3 -0.186 3.774 3.960 0.000 0.000 0.216 199 G C 1.456 176.384 174.900 0.047 0.000 1.162 199 G CA 0.783 46.020 45.100 0.228 0.000 0.777 199 G HN 0.175 nan 8.290 nan 0.000 0.539 200 V N 1.371 121.328 119.914 0.072 0.000 2.282 200 V HA -0.204 3.916 4.120 0.000 0.000 0.249 200 V C 2.794 178.881 176.094 -0.012 0.000 1.057 200 V CA 1.387 63.729 62.300 0.070 0.000 1.032 200 V CB -0.434 31.463 31.823 0.124 0.000 0.645 200 V HN 0.240 nan 8.190 nan 0.000 0.447 201 I N -0.170 120.392 120.570 -0.013 0.000 2.163 201 I HA -0.178 3.992 4.170 0.000 0.000 0.243 201 I C 2.523 178.564 176.117 -0.127 0.000 1.085 201 I CA 1.440 62.716 61.300 -0.040 0.000 1.347 201 I CB -1.133 36.862 38.000 -0.008 0.000 1.044 201 I HN 0.299 nan 8.210 nan 0.000 0.408 202 E N -0.125 119.946 120.200 -0.216 0.000 2.072 202 E HA -0.147 4.203 4.350 0.000 0.000 0.191 202 E C 2.118 178.388 176.600 -0.551 0.000 0.985 202 E CA 0.639 56.816 56.400 -0.371 0.000 0.801 202 E CB -0.646 28.783 29.700 -0.451 0.000 0.750 202 E HN 0.297 nan 8.360 nan 0.000 0.452 203 L N 0.343 121.166 121.223 -0.666 0.000 2.042 203 L HA -0.142 4.199 4.340 0.000 0.000 0.210 203 L C 2.199 178.933 176.870 -0.226 0.000 1.076 203 L CA 1.705 56.244 54.840 -0.503 0.000 0.749 203 L CB -0.643 41.246 42.059 -0.285 0.000 0.893 203 L HN 0.153 nan 8.230 nan 0.000 0.432 204 M N -0.527 118.983 119.600 -0.150 0.000 2.159 204 M HA -0.158 4.323 4.480 0.000 0.000 0.263 204 M C 2.308 178.549 176.300 -0.099 0.000 1.063 204 M CA 1.708 56.964 55.300 -0.074 0.000 1.110 204 M CB -0.410 32.167 32.600 -0.038 0.000 1.374 204 M HN 0.178 nan 8.290 nan 0.000 0.411 205 R N -0.699 119.716 120.500 -0.141 0.000 2.240 205 R HA 0.071 4.411 4.340 0.000 0.000 0.203 205 R C 2.081 178.269 176.300 -0.186 0.000 1.011 205 R CA 1.148 57.163 56.100 -0.141 0.000 1.007 205 R CB -0.408 29.811 30.300 -0.135 0.000 0.911 205 R HN 0.613 nan 8.270 nan 0.000 0.468 206 M N -0.438 119.030 119.600 -0.220 0.000 2.492 206 M HA 0.084 4.564 4.480 0.000 0.000 0.262 206 M C -0.461 175.706 176.300 -0.221 0.000 1.090 206 M CA 0.938 56.080 55.300 -0.264 0.000 1.110 206 M CB 0.330 32.793 32.600 -0.227 0.000 1.407 206 M HN -0.169 nan 8.290 nan 0.000 0.470 207 L N 3.729 124.868 121.223 -0.140 0.000 2.325 207 L HA 0.174 4.515 4.340 0.000 0.000 0.284 207 L C 0.030 176.849 176.870 -0.086 0.000 1.089 207 L CA 0.237 55.026 54.840 -0.085 0.000 0.836 207 L CB 0.383 42.418 42.059 -0.039 0.000 1.184 207 L HN 0.371 nan 8.230 nan 0.000 0.444 208 D N 0.325 120.673 120.400 -0.086 0.000 2.427 208 D HA 0.275 4.915 4.640 0.000 0.000 0.224 208 D C 1.321 177.600 176.300 -0.036 0.000 1.157 208 D CA 0.352 54.305 54.000 -0.078 0.000 0.828 208 D CB 0.457 41.195 40.800 -0.104 0.000 0.974 208 D HN 0.628 nan 8.370 nan 0.000 0.498 209 G N -0.640 108.147 108.800 -0.021 0.000 2.458 209 G HA2 -0.272 3.688 3.960 0.000 0.000 0.237 209 G HA3 -0.272 3.688 3.960 0.000 0.000 0.237 209 G C 0.882 175.786 174.900 0.006 0.000 1.113 209 G CA 0.178 45.274 45.100 -0.005 0.000 0.655 209 G HN 0.827 nan 8.290 nan 0.000 0.513 210 G N -0.510 108.294 108.800 0.007 0.000 2.479 210 G HA2 0.383 4.343 3.960 0.000 0.000 0.275 210 G HA3 0.383 4.343 3.960 0.000 0.000 0.275 210 G C 0.457 175.372 174.900 0.026 0.000 1.421 210 G CA 0.805 45.916 45.100 0.018 0.000 1.059 210 G HN 0.173 nan 8.290 nan 0.000 0.535 211 D N -0.745 119.673 120.400 0.030 0.000 2.360 211 D HA 0.015 4.655 4.640 0.000 0.000 0.210 211 D C 0.438 176.762 176.300 0.040 0.000 1.047 211 D CA -0.011 54.008 54.000 0.031 0.000 0.854 211 D CB -0.085 40.731 40.800 0.027 0.000 0.936 211 D HN 0.348 nan 8.370 nan 0.000 0.514 212 N N 3.112 121.841 118.700 0.049 0.000 2.440 212 N HA 0.053 4.794 4.740 0.000 0.000 0.265 212 N C -2.423 173.128 175.510 0.067 0.000 1.239 212 N CA -0.879 52.209 53.050 0.063 0.000 0.909 212 N CB 0.802 39.339 38.487 0.083 0.000 1.066 212 N HN 0.035 nan 8.380 nan 0.000 0.474 213 P HA -0.044 nan 4.420 nan 0.000 0.269 213 P C -0.681 176.672 177.300 0.089 0.000 1.209 213 P CA -0.312 62.830 63.100 0.070 0.000 0.776 213 P CB 0.636 32.371 31.700 0.059 0.000 0.876 214 L N 3.039 124.316 121.223 0.090 0.000 2.264 214 L HA 0.407 4.747 4.340 0.000 0.000 0.289 214 L C 0.294 177.203 176.870 0.066 0.000 1.044 214 L CA -0.416 54.482 54.840 0.096 0.000 0.807 214 L CB 0.285 42.405 42.059 0.101 0.000 1.192 214 L HN 0.307 nan 8.230 nan 0.000 0.425 215 R N 4.387 124.914 120.500 0.046 0.000 2.294 215 R HA 0.689 5.029 4.340 0.000 0.000 0.319 215 R C -1.653 174.585 176.300 -0.103 0.000 0.984 215 R CA -0.604 55.471 56.100 -0.043 0.000 0.861 215 R CB 1.240 31.503 30.300 -0.061 0.000 1.104 215 R HN 0.575 nan 8.270 nan 0.000 0.451 216 V N 4.712 124.433 119.914 -0.322 0.000 2.513 216 V HA 0.353 4.473 4.120 0.000 0.000 0.299 216 V C -0.486 175.360 176.094 -0.412 0.000 1.035 216 V CA -0.682 61.358 62.300 -0.434 0.000 0.889 216 V CB 1.785 33.109 31.823 -0.831 0.000 0.988 216 V HN 0.802 nan 8.190 nan 0.000 0.440 217 Q N 4.237 123.940 119.800 -0.163 0.000 2.292 217 Q HA 0.633 4.973 4.340 0.000 0.000 0.270 217 Q C -1.368 174.691 176.000 0.099 0.000 1.024 217 Q CA -0.394 55.393 55.803 -0.027 0.000 0.768 217 Q CB 2.967 31.745 28.738 0.068 0.000 1.250 217 Q HN 0.643 nan 8.270 nan 0.000 0.447 218 I N 1.574 122.181 120.570 0.063 0.000 2.378 218 I HA 0.573 4.743 4.170 0.000 0.000 0.291 218 I C 0.398 176.588 176.117 0.121 0.000 0.992 218 I CA -0.557 60.768 61.300 0.041 0.000 1.154 218 I CB 1.770 39.789 38.000 0.030 0.000 1.315 218 I HN 0.664 nan 8.210 nan 0.000 0.448 219 G N 2.104 110.938 108.800 0.055 0.000 2.887 219 G HA2 0.325 4.285 3.960 0.000 0.000 0.277 219 G HA3 0.325 4.285 3.960 0.000 0.000 0.277 219 G C 0.789 175.708 174.900 0.032 0.000 1.346 219 G CA 0.032 45.216 45.100 0.140 0.000 1.058 219 G HN 0.603 nan 8.290 nan 0.000 0.535 220 S N -1.180 114.560 115.700 0.066 0.000 2.402 220 S HA -0.087 4.383 4.470 0.000 0.000 0.229 220 S C 1.182 175.769 174.600 -0.022 0.000 1.021 220 S CA 1.580 59.813 58.200 0.054 0.000 0.974 220 S CB -0.150 63.088 63.200 0.063 0.000 0.800 220 S HN 0.499 nan 8.310 nan 0.000 0.484 221 N N 0.716 119.347 118.700 -0.114 0.000 2.184 221 N HA 0.372 5.112 4.740 0.000 0.000 0.234 221 N C -1.121 174.189 175.510 -0.334 0.000 1.282 221 N CA -0.333 52.617 53.050 -0.166 0.000 0.877 221 N CB 0.690 39.111 38.487 -0.110 0.000 1.184 221 N HN 0.387 nan 8.380 nan 0.000 0.510 222 N N 0.002 118.375 118.700 -0.545 0.000 2.610 222 N HA 0.541 5.281 4.740 0.000 0.000 0.264 222 N C -1.873 173.189 175.510 -0.746 0.000 1.348 222 N CA -0.702 51.837 53.050 -0.851 0.000 0.819 222 N CB 2.416 39.837 38.487 -1.777 0.000 1.521 222 N HN -0.074 nan 8.380 nan 0.000 0.497 223 I N 0.014 120.230 120.570 -0.590 0.000 2.647 223 I HA 0.554 4.724 4.170 0.000 0.000 0.295 223 I C -1.415 174.575 176.117 -0.211 0.000 1.078 223 I CA -0.740 60.357 61.300 -0.338 0.000 1.048 223 I CB 1.757 39.613 38.000 -0.240 0.000 1.239 223 I HN 0.527 nan 8.210 nan 0.000 0.421 224 R N 5.717 126.233 120.500 0.027 0.000 2.686 224 R HA 0.860 5.200 4.340 0.000 0.000 0.283 224 R C -1.987 174.371 176.300 0.096 0.000 0.978 224 R CA -0.550 55.620 56.100 0.118 0.000 0.897 224 R CB 2.058 32.558 30.300 0.334 0.000 1.192 224 R HN 0.682 nan 8.270 nan 0.000 0.457 225 A N 3.744 126.656 122.820 0.153 0.000 2.353 225 A HA 0.365 4.685 4.320 0.000 0.000 0.299 225 A C -1.756 175.961 177.584 0.222 0.000 1.089 225 A CA -0.623 51.512 52.037 0.164 0.000 0.736 225 A CB 1.092 20.207 19.000 0.191 0.000 1.195 225 A HN 0.774 nan 8.150 nan 0.000 0.447 226 H N 2.241 121.354 119.070 0.072 0.000 2.539 226 H HA 0.633 5.189 4.556 0.000 0.000 0.332 226 H C -1.813 173.562 175.328 0.078 0.000 1.031 226 H CA -0.295 55.799 56.048 0.077 0.000 1.206 226 H CB 1.627 31.409 29.762 0.032 0.000 1.446 226 H HN 0.616 nan 8.280 nan 0.000 0.496 227 V N 5.992 126.006 119.914 0.167 0.000 2.569 227 V HA 0.519 4.639 4.120 0.000 0.000 0.301 227 V C 0.697 176.893 176.094 0.169 0.000 1.044 227 V CA 0.691 63.103 62.300 0.188 0.000 0.874 227 V CB 0.963 32.867 31.823 0.135 0.000 1.002 227 V HN 1.128 nan 8.190 nan 0.000 0.424 228 G N 6.096 114.998 108.800 0.170 0.000 2.690 228 G HA2 -0.328 3.632 3.960 0.000 0.000 0.334 228 G HA3 -0.328 3.632 3.960 0.000 0.000 0.334 228 G C 0.450 175.326 174.900 -0.040 0.000 1.250 228 G CA 0.931 46.099 45.100 0.113 0.000 0.994 228 G HN 0.837 nan 8.290 nan 0.000 0.549 229 D N 0.969 121.259 120.400 -0.182 0.000 2.328 229 D HA 0.312 4.953 4.640 0.000 0.000 0.221 229 D C 0.175 175.970 176.300 -0.842 0.000 1.072 229 D CA 0.414 54.098 54.000 -0.526 0.000 0.850 229 D CB 0.031 40.438 40.800 -0.655 0.000 0.922 229 D HN 0.175 nan 8.370 nan 0.000 0.516 230 F N 0.565 120.381 119.950 -0.223 0.000 2.495 230 F HA 0.489 5.016 4.527 0.000 0.000 0.327 230 F C 0.336 175.981 175.800 -0.257 0.000 1.103 230 F CA -0.924 56.972 58.000 -0.173 0.000 0.949 230 F CB 1.848 40.798 39.000 -0.083 0.000 1.142 230 F HN -0.341 nan 8.300 nan 0.000 0.457 231 I N 3.794 124.361 120.570 -0.003 0.000 2.468 231 I HA 0.260 4.431 4.170 0.000 0.000 0.285 231 I C -1.310 174.910 176.117 0.172 0.000 1.039 231 I CA -0.652 60.664 61.300 0.026 0.000 1.074 231 I CB 1.821 39.811 38.000 -0.017 0.000 1.228 231 I HN 0.419 nan 8.210 nan 0.000 0.436 232 F N 5.760 125.745 119.950 0.058 0.000 2.421 232 F HA 0.673 5.200 4.527 0.000 0.000 0.337 232 F C -0.294 175.545 175.800 0.065 0.000 1.105 232 F CA -0.139 57.893 58.000 0.053 0.000 1.049 232 F CB 1.621 40.638 39.000 0.028 0.000 1.139 232 F HN 0.309 nan 8.300 nan 0.000 0.479 233 T N 3.986 118.045 114.554 -0.825 0.000 2.893 233 T HA 0.534 4.884 4.350 0.000 0.000 0.293 233 T C -1.211 172.923 174.700 -0.943 0.000 1.027 233 T CA -0.765 60.936 62.100 -0.664 0.000 0.988 233 T CB 1.626 70.399 68.868 -0.158 0.000 1.043 233 T HN 0.600 nan 8.240 nan 0.000 0.461 234 S N 1.163 116.448 115.700 -0.693 0.000 2.569 234 S HA 0.561 5.031 4.470 0.000 0.000 0.280 234 S C -0.911 173.486 174.600 -0.337 0.000 1.111 234 S CA -0.909 57.028 58.200 -0.438 0.000 0.887 234 S CB 1.043 64.079 63.200 -0.273 0.000 1.095 234 S HN 0.573 nan 8.310 nan 0.000 0.476 235 K N 1.940 122.201 120.400 -0.232 0.000 2.295 235 K HA 0.299 4.620 4.320 0.000 0.000 0.270 235 K C -0.631 175.877 176.600 -0.153 0.000 1.011 235 K CA -0.510 55.654 56.287 -0.204 0.000 0.953 235 K CB 0.269 32.693 32.500 -0.127 0.000 0.956 235 K HN 0.284 nan 8.250 nan 0.000 0.477 236 L N 1.868 123.002 121.223 -0.149 0.000 2.439 236 L HA 0.228 4.568 4.340 0.000 0.000 0.259 236 L C -0.114 176.753 176.870 -0.006 0.000 1.129 236 L CA -0.511 54.283 54.840 -0.077 0.000 0.803 236 L CB 1.189 43.200 42.059 -0.080 0.000 1.161 236 L HN 0.308 nan 8.230 nan 0.000 0.462 237 V N 1.429 121.375 119.914 0.054 0.000 2.432 237 V HA 0.115 4.235 4.120 0.000 0.000 0.271 237 V C -0.100 176.091 176.094 0.160 0.000 1.046 237 V CA -0.629 61.757 62.300 0.143 0.000 0.945 237 V CB 1.019 32.962 31.823 0.201 0.000 0.992 237 V HN 0.615 nan 8.190 nan 0.000 0.471 238 D N 4.340 124.852 120.400 0.188 0.000 2.453 238 D HA 0.547 5.187 4.640 0.000 0.000 0.223 238 D C 0.251 176.707 176.300 0.261 0.000 1.183 238 D CA 0.593 54.682 54.000 0.150 0.000 0.933 238 D CB 0.478 41.329 40.800 0.085 0.000 1.038 238 D HN 0.785 nan 8.370 nan 0.000 0.513 239 G N 2.246 111.149 108.800 0.172 0.000 2.523 239 G HA2 0.400 4.360 3.960 0.000 0.000 0.291 239 G HA3 0.400 4.360 3.960 0.000 0.000 0.291 239 G C -1.373 173.499 174.900 -0.046 0.000 1.450 239 G CA -1.090 44.072 45.100 0.103 0.000 0.790 239 G HN 0.380 nan 8.290 nan 0.000 0.496 240 R N 0.088 120.432 120.500 -0.261 0.000 2.288 240 R HA 0.593 4.933 4.340 0.000 0.000 0.326 240 R C -1.321 174.742 176.300 -0.395 0.000 0.959 240 R CA -0.731 55.205 56.100 -0.273 0.000 0.834 240 R CB 1.445 31.574 30.300 -0.284 0.000 1.157 240 R HN 0.255 nan 8.270 nan 0.000 0.470 241 F N 4.059 123.862 119.950 -0.245 0.000 2.418 241 F HA 0.307 4.834 4.527 0.000 0.000 0.341 241 F C -1.495 174.220 175.800 -0.143 0.000 1.120 241 F CA -1.724 56.189 58.000 -0.145 0.000 1.232 241 F CB 0.568 39.544 39.000 -0.040 0.000 1.175 241 F HN 0.497 nan 8.300 nan 0.000 0.569 242 P HA 0.009 nan 4.420 nan 0.000 0.269 242 P C -1.379 175.937 177.300 0.027 0.000 1.217 242 P CA -0.072 62.883 63.100 -0.242 0.000 0.783 242 P CB 0.385 31.869 31.700 -0.359 0.000 0.898 243 D N 0.275 120.670 120.400 -0.007 0.000 2.317 243 D HA 0.057 4.697 4.640 0.000 0.000 0.234 243 D C 0.643 176.931 176.300 -0.019 0.000 1.112 243 D CA -0.504 53.496 54.000 0.001 0.000 0.840 243 D CB 0.286 41.035 40.800 -0.084 0.000 1.078 243 D HN 0.409 nan 8.370 nan 0.000 0.486 244 Y N 3.368 123.684 120.300 0.027 0.000 2.439 244 Y HA 0.049 4.599 4.550 0.000 0.000 0.292 244 Y C 1.654 177.542 175.900 -0.019 0.000 1.130 244 Y CA 0.633 58.734 58.100 0.002 0.000 1.254 244 Y CB -0.222 38.236 38.460 -0.002 0.000 1.000 244 Y HN 0.256 nan 8.280 nan 0.000 0.554 245 R N -0.029 120.007 120.500 -0.772 0.000 2.152 245 R HA -0.077 4.263 4.340 0.000 0.000 0.232 245 R C 1.693 177.863 176.300 -0.217 0.000 1.117 245 R CA 1.078 56.856 56.100 -0.536 0.000 0.981 245 R CB -0.207 29.786 30.300 -0.511 0.000 0.870 245 R HN 0.096 nan 8.270 nan 0.000 0.451 246 R N -0.047 120.358 120.500 -0.158 0.000 2.310 246 R HA 0.093 4.433 4.340 0.000 0.000 0.202 246 R C 1.274 177.544 176.300 -0.049 0.000 0.933 246 R CA 0.372 56.419 56.100 -0.089 0.000 1.054 246 R CB 0.275 30.527 30.300 -0.081 0.000 0.985 246 R HN 0.064 nan 8.270 nan 0.000 0.489 247 V N -0.126 119.770 119.914 -0.030 0.000 3.379 247 V HA 0.147 4.267 4.120 0.000 0.000 0.249 247 V C 0.566 176.672 176.094 0.019 0.000 1.184 247 V CA 0.029 62.331 62.300 0.002 0.000 1.106 247 V CB 0.048 31.885 31.823 0.022 0.000 0.826 247 V HN -0.020 nan 8.190 nan 0.000 0.465 248 L N 2.339 123.577 121.223 0.026 0.000 2.455 248 L HA 0.264 4.604 4.340 0.000 0.000 0.272 248 L C -2.048 174.838 176.870 0.027 0.000 1.174 248 L CA -1.291 53.572 54.840 0.039 0.000 0.869 248 L CB -0.799 41.293 42.059 0.054 0.000 1.130 248 L HN 0.138 nan 8.230 nan 0.000 0.474 249 P HA -0.003 nan 4.420 nan 0.000 0.266 249 P C -0.645 176.673 177.300 0.031 0.000 1.186 249 P CA 0.125 63.247 63.100 0.037 0.000 0.767 249 P CB 0.303 32.034 31.700 0.052 0.000 0.820 250 K N 2.248 122.662 120.400 0.023 0.000 2.284 250 K HA 0.163 4.483 4.320 0.000 0.000 0.287 250 K C 0.153 176.768 176.600 0.026 0.000 1.081 250 K CA -0.539 55.759 56.287 0.018 0.000 0.910 250 K CB -0.284 32.221 32.500 0.009 0.000 1.088 250 K HN 0.426 nan 8.250 nan 0.000 0.478 251 N N 2.922 121.642 118.700 0.034 0.000 2.684 251 N HA -0.144 4.596 4.740 0.000 0.000 0.284 251 N C -2.275 173.261 175.510 0.042 0.000 1.067 251 N CA -0.187 52.890 53.050 0.046 0.000 0.791 251 N CB -0.359 38.149 38.487 0.034 0.000 0.934 251 N HN 0.381 nan 8.380 nan 0.000 0.566 252 P HA 0.095 nan 4.420 nan 0.000 0.271 252 P C -0.316 176.949 177.300 -0.058 0.000 1.220 252 P CA 0.100 63.212 63.100 0.020 0.000 0.768 252 P CB 0.844 32.577 31.700 0.055 0.000 0.848 253 D N 1.595 121.918 120.400 -0.129 0.000 2.431 253 D HA 0.035 4.675 4.640 0.000 0.000 0.213 253 D C -0.231 175.843 176.300 -0.378 0.000 1.130 253 D CA 0.037 53.909 54.000 -0.212 0.000 0.834 253 D CB 0.300 41.050 40.800 -0.083 0.000 0.985 253 D HN 0.306 nan 8.370 nan 0.000 0.504 254 K N 0.819 121.003 120.400 -0.360 0.000 2.527 254 K HA 0.298 4.618 4.320 0.000 0.000 0.240 254 K C -1.229 175.291 176.600 -0.134 0.000 0.989 254 K CA -0.536 55.639 56.287 -0.187 0.000 0.985 254 K CB 0.961 33.517 32.500 0.093 0.000 1.221 254 K HN 0.139 nan 8.250 nan 0.000 0.458 255 H N 1.893 121.060 119.070 0.161 0.000 2.552 255 H HA 0.292 4.849 4.556 0.000 0.000 0.311 255 H C -0.641 174.862 175.328 0.292 0.000 1.071 255 H CA -0.730 55.424 56.048 0.177 0.000 1.307 255 H CB 1.288 31.108 29.762 0.096 0.000 1.416 255 H HN 0.311 nan 8.280 nan 0.000 0.464 256 L N 2.632 124.083 121.223 0.380 0.000 2.317 256 L HA 0.462 4.802 4.340 0.000 0.000 0.281 256 L C -0.664 176.332 176.870 0.211 0.000 1.024 256 L CA -0.577 54.451 54.840 0.314 0.000 0.810 256 L CB 1.396 43.558 42.059 0.172 0.000 1.240 256 L HN 0.653 nan 8.230 nan 0.000 0.427 257 E N 3.510 123.813 120.200 0.171 0.000 2.222 257 E HA 0.754 5.104 4.350 0.000 0.000 0.267 257 E C -1.399 175.258 176.600 0.095 0.000 0.884 257 E CA -0.745 55.726 56.400 0.119 0.000 0.764 257 E CB 2.199 31.956 29.700 0.097 0.000 1.169 257 E HN 0.768 nan 8.360 nan 0.000 0.413 258 A N 1.882 124.750 122.820 0.080 0.000 2.566 258 A HA 0.718 5.038 4.320 0.000 0.000 0.292 258 A C -0.221 177.394 177.584 0.050 0.000 1.112 258 A CA -0.358 51.715 52.037 0.060 0.000 0.707 258 A CB 1.425 20.459 19.000 0.057 0.000 1.302 258 A HN 0.620 nan 8.150 nan 0.000 0.409 259 G N -0.426 108.396 108.800 0.036 0.000 2.225 259 G HA2 0.271 4.231 3.960 0.000 0.000 0.245 259 G HA3 0.271 4.231 3.960 0.000 0.000 0.245 259 G C 1.063 175.983 174.900 0.034 0.000 1.249 259 G CA 0.487 45.605 45.100 0.029 0.000 0.919 259 G HN 1.344 nan 8.290 nan 0.000 0.486 260 C N 2.025 121.344 119.300 0.032 0.000 2.432 260 C HA -0.093 4.367 4.460 0.000 0.000 0.277 260 C C 2.364 177.372 174.990 0.031 0.000 1.249 260 C CA 1.671 60.709 59.018 0.033 0.000 1.725 260 C CB -0.704 27.047 27.740 0.018 0.000 2.028 260 C HN 0.929 nan 8.230 nan 0.000 0.477 261 D N -0.303 120.108 120.400 0.019 0.000 2.117 261 D HA -0.096 4.544 4.640 0.000 0.000 0.198 261 D C 2.156 178.466 176.300 0.017 0.000 0.982 261 D CA 1.174 55.183 54.000 0.015 0.000 0.828 261 D CB -0.199 40.605 40.800 0.007 0.000 0.967 261 D HN 0.544 nan 8.370 nan 0.000 0.464 262 L N -0.192 121.039 121.223 0.013 0.000 2.093 262 L HA -0.109 4.231 4.340 0.000 0.000 0.208 262 L C 2.270 179.138 176.870 -0.004 0.000 1.085 262 L CA 0.426 55.267 54.840 0.001 0.000 0.755 262 L CB -0.299 41.758 42.059 -0.003 0.000 0.904 262 L HN 0.217 nan 8.230 nan 0.000 0.435 263 L N 0.151 121.386 121.223 0.019 0.000 2.005 263 L HA -0.228 4.112 4.340 0.000 0.000 0.207 263 L C 2.588 179.524 176.870 0.111 0.000 1.072 263 L CA 1.805 56.664 54.840 0.031 0.000 0.744 263 L CB -0.610 41.512 42.059 0.105 0.000 0.895 263 L HN 0.128 nan 8.230 nan 0.000 0.433 264 K N -1.156 119.322 120.400 0.130 0.000 2.044 264 K HA -0.252 4.068 4.320 0.000 0.000 0.210 264 K C 2.062 178.730 176.600 0.112 0.000 1.049 264 K CA 1.786 58.158 56.287 0.142 0.000 0.927 264 K CB -0.094 32.441 32.500 0.059 0.000 0.713 264 K HN 0.370 nan 8.250 nan 0.000 0.443 265 Q N 0.059 119.890 119.800 0.052 0.000 2.084 265 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 265 Q C 2.078 178.090 176.000 0.020 0.000 0.978 265 Q CA 1.597 57.417 55.803 0.030 0.000 0.844 265 Q CB -0.519 28.224 28.738 0.008 0.000 0.898 265 Q HN 0.451 nan 8.270 nan 0.000 0.426 266 A N 0.123 122.930 122.820 -0.021 0.000 1.858 266 A HA -0.157 4.163 4.320 0.000 0.000 0.216 266 A C 1.940 179.490 177.584 -0.057 0.000 1.190 266 A CA 1.294 53.277 52.037 -0.089 0.000 0.617 266 A CB -0.869 18.008 19.000 -0.205 0.000 0.827 266 A HN 0.272 nan 8.150 nan 0.000 0.443 267 F N 0.315 120.281 119.950 0.026 0.000 2.126 267 F HA -0.140 4.387 4.527 0.000 0.000 0.299 267 F C 2.820 178.631 175.800 0.019 0.000 1.096 267 F CA 0.827 58.849 58.000 0.037 0.000 1.255 267 F CB -0.785 38.245 39.000 0.051 0.000 0.997 267 F HN 0.265 nan 8.300 nan 0.000 0.479 268 A N 0.012 122.947 122.820 0.192 0.000 1.902 268 A HA -0.198 4.122 4.320 0.000 0.000 0.217 268 A C 2.370 179.994 177.584 0.067 0.000 1.181 268 A CA 1.687 53.783 52.037 0.099 0.000 0.623 268 A CB -0.627 18.409 19.000 0.060 0.000 0.818 268 A HN 0.316 nan 8.150 nan 0.000 0.443 269 R N -0.685 119.845 120.500 0.050 0.000 2.066 269 R HA -0.042 4.298 4.340 0.000 0.000 0.232 269 R C 2.526 178.849 176.300 0.038 0.000 1.131 269 R CA 1.170 57.287 56.100 0.029 0.000 0.955 269 R CB -0.489 29.817 30.300 0.010 0.000 0.851 269 R HN 0.503 nan 8.270 nan 0.000 0.432 270 A N 1.391 124.243 122.820 0.053 0.000 1.940 270 A HA -0.144 4.176 4.320 0.000 0.000 0.219 270 A C 2.369 179.997 177.584 0.074 0.000 1.176 270 A CA 1.722 53.797 52.037 0.062 0.000 0.631 270 A CB -0.650 18.398 19.000 0.080 0.000 0.814 270 A HN 0.411 nan 8.150 nan 0.000 0.446 271 A N -0.002 122.874 122.820 0.094 0.000 2.024 271 A HA -0.119 4.201 4.320 0.000 0.000 0.220 271 A C 2.019 179.624 177.584 0.036 0.000 1.164 271 A CA 1.472 53.550 52.037 0.069 0.000 0.643 271 A CB -0.702 18.337 19.000 0.064 0.000 0.806 271 A HN 0.542 nan 8.150 nan 0.000 0.451 272 I N -0.636 119.952 120.570 0.030 0.000 2.194 272 I HA -0.261 3.909 4.170 0.000 0.000 0.246 272 I C 1.433 177.559 176.117 0.014 0.000 1.093 272 I CA 1.267 62.577 61.300 0.016 0.000 1.355 272 I CB -0.203 37.805 38.000 0.013 0.000 1.046 272 I HN 0.253 nan 8.210 nan 0.000 0.413 273 L N 0.405 121.640 121.223 0.021 0.000 2.791 273 L HA 0.175 4.515 4.340 0.000 0.000 0.239 273 L C 0.923 177.808 176.870 0.025 0.000 1.203 273 L CA -0.381 54.470 54.840 0.019 0.000 1.002 273 L CB -0.370 41.700 42.059 0.017 0.000 1.295 273 L HN 0.216 nan 8.230 nan 0.000 0.504 274 S N -1.331 114.385 115.700 0.028 0.000 2.652 274 S HA 0.183 4.653 4.470 0.000 0.000 0.270 274 S C 0.281 174.895 174.600 0.024 0.000 1.243 274 S CA -0.713 57.505 58.200 0.031 0.000 0.999 274 S CB 1.339 64.561 63.200 0.036 0.000 0.973 274 S HN 0.259 nan 8.310 nan 0.000 0.544 275 N N 1.205 119.928 118.700 0.038 0.000 2.411 275 N HA -0.054 4.687 4.740 0.000 0.000 0.265 275 N C 0.902 176.412 175.510 0.001 0.000 1.266 275 N CA 0.390 53.468 53.050 0.047 0.000 0.889 275 N CB 0.317 38.874 38.487 0.117 0.000 1.069 275 N HN 0.767 nan 8.380 nan 0.000 0.476 276 E N 3.153 123.338 120.200 -0.025 0.000 2.118 276 E HA -0.239 4.111 4.350 0.000 0.000 0.195 276 E C 1.228 177.742 176.600 -0.145 0.000 0.992 276 E CA 1.277 57.636 56.400 -0.068 0.000 0.804 276 E CB 0.216 29.882 29.700 -0.057 0.000 0.741 276 E HN 0.612 nan 8.360 nan 0.000 0.458 277 K N -0.275 119.989 120.400 -0.226 0.000 2.128 277 K HA -0.011 4.309 4.320 0.000 0.000 0.202 277 K C 1.378 177.569 176.600 -0.681 0.000 1.050 277 K CA 0.719 56.696 56.287 -0.518 0.000 0.966 277 K CB 0.183 32.234 32.500 -0.749 0.000 0.759 277 K HN -0.029 nan 8.250 nan 0.000 0.454 278 F N 0.417 120.329 119.950 -0.064 0.000 2.678 278 F HA 0.296 4.823 4.527 0.000 0.000 0.291 278 F C 0.378 176.118 175.800 -0.101 0.000 1.123 278 F CA -0.204 57.747 58.000 -0.081 0.000 1.395 278 F CB 0.526 39.494 39.000 -0.053 0.000 1.121 278 F HN -0.123 nan 8.300 nan 0.000 0.592 279 R N 0.195 120.715 120.500 0.034 0.000 3.770 279 R HA -0.145 4.195 4.340 0.000 0.000 0.305 279 R C 0.474 176.784 176.300 0.017 0.000 1.184 279 R CA 0.658 56.747 56.100 -0.018 0.000 0.823 279 R CB -2.607 27.625 30.300 -0.113 0.000 1.285 279 R HN 0.387 nan 8.270 nan 0.000 0.499 280 G N 0.798 109.631 108.800 0.056 0.000 2.378 280 G HA2 0.412 4.372 3.960 0.000 0.000 0.255 280 G HA3 0.412 4.372 3.960 0.000 0.000 0.255 280 G C 0.450 175.372 174.900 0.037 0.000 1.270 280 G CA 0.186 45.313 45.100 0.046 0.000 0.876 280 G HN 0.228 nan 8.290 nan 0.000 0.521 281 V N 0.518 120.448 119.914 0.028 0.000 2.914 281 V HA 0.760 4.880 4.120 0.000 0.000 0.314 281 V C -0.309 175.709 176.094 -0.127 0.000 1.084 281 V CA -1.644 60.669 62.300 0.022 0.000 0.963 281 V CB 2.099 34.018 31.823 0.160 0.000 1.025 281 V HN 0.726 nan 8.190 nan 0.000 0.432 282 R N 2.392 122.827 120.500 -0.108 0.000 2.460 282 R HA 0.711 5.051 4.340 0.000 0.000 0.303 282 R C -1.611 174.543 176.300 -0.244 0.000 0.968 282 R CA -0.752 55.197 56.100 -0.251 0.000 0.889 282 R CB 1.933 32.108 30.300 -0.210 0.000 1.123 282 R HN 0.609 nan 8.270 nan 0.000 0.455 283 L N 3.508 124.493 121.223 -0.398 0.000 2.307 283 L HA 0.370 4.710 4.340 0.000 0.000 0.284 283 L C -1.007 175.635 176.870 -0.379 0.000 1.023 283 L CA -0.335 54.353 54.840 -0.253 0.000 0.810 283 L CB 0.854 42.787 42.059 -0.211 0.000 1.231 283 L HN 0.447 nan 8.230 nan 0.000 0.423 284 Y N 2.836 123.073 120.300 -0.106 0.000 2.334 284 Y HA 0.562 5.112 4.550 0.000 0.000 0.336 284 Y C 0.032 175.856 175.900 -0.126 0.000 0.960 284 Y CA -1.198 56.844 58.100 -0.096 0.000 1.164 284 Y CB 1.631 40.048 38.460 -0.072 0.000 1.155 284 Y HN 0.332 nan 8.280 nan 0.000 0.478 285 V N 0.989 120.867 119.914 -0.060 0.000 2.472 285 V HA 0.961 5.081 4.120 0.000 0.000 0.290 285 V C -0.255 175.776 176.094 -0.105 0.000 1.037 285 V CA -0.571 61.585 62.300 -0.240 0.000 0.908 285 V CB 1.147 32.602 31.823 -0.613 0.000 0.985 285 V HN 0.766 nan 8.190 nan 0.000 0.454 286 S N 1.541 117.217 115.700 -0.041 0.000 2.656 286 S HA 0.563 5.033 4.470 0.000 0.000 0.273 286 S C -0.609 174.139 174.600 0.247 0.000 1.168 286 S CA -0.821 57.467 58.200 0.146 0.000 0.817 286 S CB 1.358 64.610 63.200 0.085 0.000 1.146 286 S HN 1.047 nan 8.310 nan 0.000 0.475 287 E N 1.314 121.646 120.200 0.219 0.000 2.752 287 E HA 0.065 4.415 4.350 0.000 0.000 0.241 287 E C 0.070 176.764 176.600 0.157 0.000 1.016 287 E CA 1.197 57.711 56.400 0.191 0.000 0.952 287 E CB -1.219 28.538 29.700 0.094 0.000 0.921 287 E HN 0.661 nan 8.360 nan 0.000 0.515 288 N N 2.888 121.708 118.700 0.200 0.000 2.708 288 N HA -0.298 4.442 4.740 0.000 0.000 0.249 288 N C -0.727 174.835 175.510 0.088 0.000 1.097 288 N CA 0.702 53.835 53.050 0.137 0.000 0.710 288 N CB -0.400 38.138 38.487 0.085 0.000 1.032 288 N HN 0.616 nan 8.380 nan 0.000 0.551 289 Q N 0.564 120.410 119.800 0.078 0.000 2.340 289 Q HA 0.598 4.938 4.340 0.000 0.000 0.276 289 Q C -2.028 173.957 176.000 -0.025 0.000 1.048 289 Q CA -0.784 55.031 55.803 0.021 0.000 0.832 289 Q CB 1.931 30.680 28.738 0.019 0.000 1.373 289 Q HN 0.210 nan 8.270 nan 0.000 0.409 290 L N 2.820 124.020 121.223 -0.040 0.000 2.385 290 L HA 0.596 4.937 4.340 0.000 0.000 0.273 290 L C -1.638 175.202 176.870 -0.049 0.000 0.990 290 L CA -0.183 54.621 54.840 -0.060 0.000 0.821 290 L CB 1.770 43.781 42.059 -0.080 0.000 1.279 290 L HN 0.554 nan 8.230 nan 0.000 0.412 291 K N 5.420 125.818 120.400 -0.004 0.000 2.244 291 K HA 0.640 4.960 4.320 0.000 0.000 0.260 291 K C -1.496 175.134 176.600 0.049 0.000 0.951 291 K CA -0.588 55.704 56.287 0.009 0.000 0.826 291 K CB 1.168 33.673 32.500 0.009 0.000 1.108 291 K HN 0.725 nan 8.250 nan 0.000 0.433 292 I N 3.116 123.672 120.570 -0.023 0.000 2.433 292 I HA 0.249 4.419 4.170 0.000 0.000 0.292 292 I C -0.135 176.003 176.117 0.035 0.000 1.001 292 I CA -0.610 60.678 61.300 -0.020 0.000 1.119 292 I CB 2.119 40.002 38.000 -0.195 0.000 1.289 292 I HN 0.665 nan 8.210 nan 0.000 0.438 293 T N 2.567 117.176 114.554 0.091 0.000 2.893 293 T HA 0.912 5.262 4.350 0.000 0.000 0.291 293 T C -0.787 173.954 174.700 0.069 0.000 1.028 293 T CA -0.845 61.304 62.100 0.082 0.000 0.995 293 T CB 2.108 71.050 68.868 0.123 0.000 1.051 293 T HN 0.715 nan 8.240 nan 0.000 0.470 294 A N 2.979 125.831 122.820 0.054 0.000 2.422 294 A HA 0.825 5.145 4.320 0.000 0.000 0.302 294 A C -0.620 176.986 177.584 0.036 0.000 1.041 294 A CA -1.042 51.024 52.037 0.049 0.000 0.708 294 A CB 1.197 20.231 19.000 0.056 0.000 1.257 294 A HN 0.993 nan 8.150 nan 0.000 0.414 295 N N 0.959 119.679 118.700 0.033 0.000 2.509 295 N HA 0.612 5.352 4.740 0.000 0.000 0.280 295 N C -1.297 174.230 175.510 0.029 0.000 1.306 295 N CA -0.720 52.346 53.050 0.027 0.000 0.782 295 N CB 1.677 40.178 38.487 0.023 0.000 1.493 295 N HN 0.734 nan 8.380 nan 0.000 0.498 296 N N -1.803 116.912 118.700 0.025 0.000 2.697 296 N HA 0.502 5.242 4.740 0.000 0.000 0.272 296 N C -2.711 172.814 175.510 0.025 0.000 1.381 296 N CA -1.656 51.411 53.050 0.028 0.000 0.797 296 N CB 0.611 39.111 38.487 0.023 0.000 1.523 296 N HN 0.093 nan 8.380 nan 0.000 0.518 297 P HA 0.022 nan 4.420 nan 0.000 0.226 297 P C -0.062 177.248 177.300 0.017 0.000 1.153 297 P CA 1.089 64.204 63.100 0.026 0.000 0.777 297 P CB 0.186 31.905 31.700 0.033 0.000 0.794 298 E N -0.336 119.873 120.200 0.015 0.000 2.489 298 E HA 0.003 4.354 4.350 0.000 0.000 0.193 298 E C 0.472 177.077 176.600 0.009 0.000 1.057 298 E CA 0.056 56.462 56.400 0.010 0.000 0.866 298 E CB -0.411 29.294 29.700 0.008 0.000 0.916 298 E HN 0.130 nan 8.360 nan 0.000 0.500 299 Q N -0.692 119.114 119.800 0.010 0.000 2.489 299 Q HA -0.226 4.114 4.340 0.000 0.000 0.259 299 Q C -0.739 175.265 176.000 0.007 0.000 0.934 299 Q CA 0.856 56.664 55.803 0.009 0.000 1.131 299 Q CB -2.153 26.588 28.738 0.006 0.000 1.472 299 Q HN 0.531 nan 8.270 nan 0.000 0.560 300 E N 0.904 121.108 120.200 0.008 0.000 2.404 300 E HA 0.265 4.616 4.350 0.000 0.000 0.261 300 E C -0.058 176.548 176.600 0.010 0.000 1.074 300 E CA 0.357 56.761 56.400 0.007 0.000 0.917 300 E CB 0.530 30.234 29.700 0.007 0.000 0.965 300 E HN 0.116 nan 8.360 nan 0.000 0.433 301 E N 0.111 120.316 120.200 0.007 0.000 2.291 301 E HA 0.480 4.830 4.350 0.000 0.000 0.276 301 E C -1.506 175.098 176.600 0.007 0.000 0.896 301 E CA -0.633 55.772 56.400 0.009 0.000 0.774 301 E CB 2.000 31.703 29.700 0.004 0.000 1.227 301 E HN 0.508 nan 8.360 nan 0.000 0.413 302 A N 2.828 125.655 122.820 0.012 0.000 2.337 302 A HA 0.723 5.043 4.320 0.000 0.000 0.331 302 A C -0.728 176.859 177.584 0.004 0.000 1.137 302 A CA -0.470 51.571 52.037 0.007 0.000 0.807 302 A CB 1.523 20.532 19.000 0.015 0.000 1.250 302 A HN 0.646 nan 8.150 nan 0.000 0.468 303 E N 0.760 120.954 120.200 -0.009 0.000 2.304 303 E HA 0.412 4.762 4.350 0.000 0.000 0.277 303 E C -1.613 174.966 176.600 -0.034 0.000 0.898 303 E CA -0.452 55.937 56.400 -0.020 0.000 0.764 303 E CB 1.431 31.111 29.700 -0.032 0.000 1.216 303 E HN 0.607 nan 8.360 nan 0.000 0.419 304 E N 3.582 123.752 120.200 -0.050 0.000 2.248 304 E HA 0.459 4.809 4.350 0.000 0.000 0.267 304 E C -0.889 175.665 176.600 -0.076 0.000 0.877 304 E CA -0.778 55.580 56.400 -0.070 0.000 0.759 304 E CB 2.197 31.833 29.700 -0.106 0.000 1.182 304 E HN 0.449 nan 8.360 nan 0.000 0.418 305 I N 3.243 123.773 120.570 -0.066 0.000 2.466 305 I HA 0.387 4.557 4.170 0.000 0.000 0.289 305 I C -0.553 175.531 176.117 -0.056 0.000 1.026 305 I CA -0.605 60.659 61.300 -0.060 0.000 1.078 305 I CB 1.450 39.420 38.000 -0.049 0.000 1.249 305 I HN 0.299 nan 8.210 nan 0.000 0.429 306 L N 2.007 123.196 121.223 -0.057 0.000 2.434 306 L HA 0.755 5.095 4.340 0.000 0.000 0.260 306 L C -1.352 175.503 176.870 -0.025 0.000 0.983 306 L CA -1.023 53.791 54.840 -0.044 0.000 0.820 306 L CB 1.967 43.990 42.059 -0.059 0.000 1.361 306 L HN 0.262 nan 8.230 nan 0.000 0.410 307 D N 2.591 122.985 120.400 -0.010 0.000 2.424 307 D HA 0.433 5.073 4.640 0.000 0.000 0.244 307 D C 0.267 176.577 176.300 0.016 0.000 1.134 307 D CA 0.282 54.286 54.000 0.007 0.000 0.881 307 D CB 2.042 42.849 40.800 0.011 0.000 1.191 307 D HN 0.627 nan 8.370 nan 0.000 0.445 308 V N -0.919 119.017 119.914 0.036 0.000 3.165 308 V HA 0.612 4.732 4.120 0.000 0.000 0.309 308 V C -0.243 175.904 176.094 0.089 0.000 1.267 308 V CA -0.923 61.411 62.300 0.057 0.000 1.067 308 V CB 1.913 33.770 31.823 0.056 0.000 1.082 308 V HN 0.371 nan 8.190 nan 0.000 0.451 309 T N 2.415 117.036 114.554 0.112 0.000 2.781 309 T HA 0.645 4.995 4.350 0.000 0.000 0.305 309 T C -1.334 173.502 174.700 0.226 0.000 1.001 309 T CA 0.216 62.395 62.100 0.130 0.000 0.950 309 T CB -0.228 68.698 68.868 0.097 0.000 0.955 309 T HN 0.841 nan 8.240 nan 0.000 0.471 310 Y N 2.182 122.511 120.300 0.048 0.000 2.441 310 Y HA 0.456 5.006 4.550 0.000 0.000 0.334 310 Y C 0.319 176.244 175.900 0.041 0.000 1.061 310 Y CA -0.981 57.151 58.100 0.052 0.000 1.032 310 Y CB 1.816 40.306 38.460 0.049 0.000 1.266 310 Y HN 0.507 nan 8.280 nan 0.000 0.441 311 S N 1.851 117.275 115.700 -0.460 0.000 2.819 311 S HA 0.441 4.911 4.470 0.000 0.000 0.249 311 S C 0.502 174.797 174.600 -0.509 0.000 1.030 311 S CA 0.041 58.037 58.200 -0.340 0.000 1.052 311 S CB 0.080 63.189 63.200 -0.151 0.000 1.017 311 S HN 0.911 nan 8.310 nan 0.000 0.576 312 G N 1.366 109.488 108.800 -1.130 0.000 2.535 312 G HA2 0.626 4.587 3.960 0.000 0.000 0.282 312 G HA3 0.626 4.587 3.960 0.000 0.000 0.282 312 G C 0.134 174.903 174.900 -0.219 0.000 1.350 312 G CA -0.448 44.250 45.100 -0.669 0.000 1.039 312 G HN 0.703 nan 8.290 nan 0.000 0.509 313 A N -0.547 122.263 122.820 -0.017 0.000 2.462 313 A HA 0.372 4.692 4.320 0.000 0.000 0.243 313 A C 0.524 178.237 177.584 0.216 0.000 1.076 313 A CA -0.133 51.954 52.037 0.082 0.000 0.773 313 A CB -0.032 18.998 19.000 0.051 0.000 1.010 313 A HN 0.646 nan 8.150 nan 0.000 0.493 314 E N 0.466 120.773 120.200 0.177 0.000 2.502 314 E HA 0.266 4.616 4.350 0.000 0.000 0.261 314 E C -0.006 176.661 176.600 0.112 0.000 0.974 314 E CA 0.836 57.334 56.400 0.163 0.000 0.936 314 E CB 0.203 29.971 29.700 0.112 0.000 0.926 314 E HN 0.687 nan 8.360 nan 0.000 0.459 315 M N -0.009 119.634 119.600 0.071 0.000 2.562 315 M HA 0.437 4.917 4.480 0.000 0.000 0.281 315 M C -1.659 174.609 176.300 -0.053 0.000 1.195 315 M CA -0.835 54.478 55.300 0.022 0.000 0.888 315 M CB 2.093 34.715 32.600 0.036 0.000 1.731 315 M HN 0.143 nan 8.290 nan 0.000 0.493 316 E N 1.891 122.025 120.200 -0.110 0.000 2.207 316 E HA 0.852 5.202 4.350 0.000 0.000 0.270 316 E C -1.435 175.026 176.600 -0.231 0.000 0.927 316 E CA -0.959 55.271 56.400 -0.284 0.000 0.799 316 E CB 3.348 32.788 29.700 -0.434 0.000 1.172 316 E HN 0.673 nan 8.360 nan 0.000 0.404 317 I N 0.318 120.703 120.570 -0.307 0.000 2.841 317 I HA 0.522 4.692 4.170 0.000 0.000 0.298 317 I C -0.961 174.907 176.117 -0.414 0.000 1.304 317 I CA -0.502 60.647 61.300 -0.251 0.000 1.019 317 I CB 1.888 39.814 38.000 -0.124 0.000 1.282 317 I HN 0.642 nan 8.210 nan 0.000 0.432 318 G N 5.009 113.613 108.800 -0.326 0.000 2.417 318 G HA2 0.769 4.729 3.960 0.000 0.000 0.334 318 G HA3 0.769 4.729 3.960 0.000 0.000 0.334 318 G C -1.374 173.326 174.900 -0.333 0.000 1.150 318 G CA -0.362 44.504 45.100 -0.391 0.000 0.923 318 G HN 0.607 nan 8.290 nan 0.000 0.485 319 F N -1.369 118.577 119.950 -0.007 0.000 2.877 319 F HA 0.480 5.007 4.527 0.000 0.000 0.319 319 F C -0.832 174.945 175.800 -0.039 0.000 1.174 319 F CA -2.296 55.701 58.000 -0.006 0.000 0.903 319 F CB 0.905 39.909 39.000 0.007 0.000 1.357 319 F HN 0.389 nan 8.300 nan 0.000 0.472 320 N N 1.344 120.215 118.700 0.286 0.000 2.431 320 N HA 0.096 4.836 4.740 0.000 0.000 0.265 320 N C 0.643 176.137 175.510 -0.026 0.000 1.184 320 N CA 0.265 53.313 53.050 -0.002 0.000 0.943 320 N CB 1.720 40.006 38.487 -0.335 0.000 1.080 320 N HN 0.740 nan 8.380 nan 0.000 0.477 321 V N 3.707 123.611 119.914 -0.016 0.000 2.667 321 V HA -0.148 3.972 4.120 0.000 0.000 0.252 321 V C 1.895 177.908 176.094 -0.135 0.000 1.065 321 V CA 1.670 63.928 62.300 -0.070 0.000 1.083 321 V CB -0.245 31.598 31.823 0.032 0.000 0.692 321 V HN 0.703 nan 8.190 nan 0.000 0.468 322 S N -0.537 115.068 115.700 -0.159 0.000 2.368 322 S HA -0.155 4.315 4.470 0.000 0.000 0.225 322 S C 1.770 176.358 174.600 -0.021 0.000 1.030 322 S CA 1.670 59.795 58.200 -0.125 0.000 0.999 322 S CB -0.398 62.703 63.200 -0.166 0.000 0.844 322 S HN 0.723 nan 8.310 nan 0.000 0.459 323 Y N 1.438 121.694 120.300 -0.073 0.000 2.181 323 Y HA -0.045 4.505 4.550 0.000 0.000 0.288 323 Y C 2.531 178.321 175.900 -0.185 0.000 1.146 323 Y CA -0.326 57.731 58.100 -0.072 0.000 1.164 323 Y CB -1.355 37.075 38.460 -0.051 0.000 0.982 323 Y HN 0.059 nan 8.280 nan 0.000 0.515 324 V N -0.089 119.720 119.914 -0.174 0.000 2.358 324 V HA -0.265 3.855 4.120 0.000 0.000 0.246 324 V C 2.428 178.339 176.094 -0.305 0.000 1.047 324 V CA 1.437 63.500 62.300 -0.394 0.000 1.035 324 V CB -0.843 30.513 31.823 -0.778 0.000 0.658 324 V HN 0.323 nan 8.190 nan 0.000 0.452 325 L N -0.266 120.816 121.223 -0.234 0.000 2.093 325 L HA -0.162 4.178 4.340 0.000 0.000 0.208 325 L C 2.374 179.118 176.870 -0.210 0.000 1.085 325 L CA 1.373 56.115 54.840 -0.165 0.000 0.755 325 L CB -0.686 41.315 42.059 -0.096 0.000 0.904 325 L HN 0.343 nan 8.230 nan 0.000 0.435 326 D N -0.350 119.919 120.400 -0.218 0.000 2.117 326 D HA -0.156 4.484 4.640 0.000 0.000 0.197 326 D C 2.314 178.170 176.300 -0.739 0.000 0.987 326 D CA 1.140 54.880 54.000 -0.434 0.000 0.829 326 D CB -0.154 40.489 40.800 -0.261 0.000 0.961 326 D HN 0.113 nan 8.370 nan 0.000 0.460 327 V N 1.184 120.814 119.914 -0.473 0.000 2.270 327 V HA -0.208 3.912 4.120 0.000 0.000 0.245 327 V C 2.692 178.501 176.094 -0.475 0.000 1.043 327 V CA 1.123 63.086 62.300 -0.561 0.000 1.014 327 V CB -0.496 31.083 31.823 -0.406 0.000 0.645 327 V HN 0.188 nan 8.190 nan 0.000 0.447 328 L N 0.219 121.261 121.223 -0.301 0.000 2.042 328 L HA -0.193 4.147 4.340 0.000 0.000 0.210 328 L C 2.467 179.224 176.870 -0.188 0.000 1.076 328 L CA 1.539 56.268 54.840 -0.185 0.000 0.749 328 L CB -0.821 41.188 42.059 -0.083 0.000 0.893 328 L HN 0.394 nan 8.230 nan 0.000 0.432 329 N N 0.276 118.834 118.700 -0.237 0.000 2.166 329 N HA -0.133 4.607 4.740 0.000 0.000 0.186 329 N C 1.881 177.241 175.510 -0.250 0.000 1.019 329 N CA 1.504 54.421 53.050 -0.221 0.000 0.856 329 N CB -0.187 38.163 38.487 -0.228 0.000 0.993 329 N HN 0.324 nan 8.380 nan 0.000 0.426 330 A N 1.123 123.707 122.820 -0.393 0.000 1.930 330 A HA -0.021 4.300 4.320 0.000 0.000 0.217 330 A C 2.397 179.906 177.584 -0.126 0.000 1.175 330 A CA 0.754 52.624 52.037 -0.278 0.000 0.627 330 A CB -0.594 18.197 19.000 -0.348 0.000 0.815 330 A HN 0.188 nan 8.150 nan 0.000 0.443 331 L N -1.138 119.990 121.223 -0.158 0.000 2.027 331 L HA -0.136 4.204 4.340 0.000 0.000 0.206 331 L C 0.472 177.328 176.870 -0.024 0.000 1.074 331 L CA 1.345 56.151 54.840 -0.057 0.000 0.745 331 L CB -0.448 41.572 42.059 -0.064 0.000 0.898 331 L HN 0.449 nan 8.230 nan 0.000 0.433 332 K N -0.127 120.248 120.400 -0.043 0.000 3.490 332 K HA -0.210 4.110 4.320 0.000 0.000 0.273 332 K C -0.327 176.270 176.600 -0.005 0.000 0.916 332 K CA 0.455 56.727 56.287 -0.024 0.000 0.718 332 K CB -2.436 30.051 32.500 -0.021 0.000 1.477 332 K HN 0.525 nan 8.250 nan 0.000 0.452 333 C N -3.408 115.891 119.300 -0.000 0.000 3.161 333 C HA 0.433 4.893 4.460 0.000 0.000 0.330 333 C C 1.725 176.721 174.990 0.011 0.000 1.396 333 C CA -1.049 57.975 59.018 0.010 0.000 1.536 333 C CB 1.661 29.412 27.740 0.019 0.000 1.978 333 C HN 0.514 nan 8.230 nan 0.000 0.454 334 E N 0.877 121.086 120.200 0.014 0.000 2.028 334 E HA 0.016 4.366 4.350 0.000 0.000 0.190 334 E C 0.067 176.679 176.600 0.021 0.000 0.984 334 E CA 1.133 57.542 56.400 0.015 0.000 0.800 334 E CB 0.064 29.773 29.700 0.015 0.000 0.758 334 E HN 0.597 nan 8.360 nan 0.000 0.448 335 N N 0.195 118.910 118.700 0.026 0.000 2.225 335 N HA 0.270 5.010 4.740 0.000 0.000 0.298 335 N C -0.899 174.637 175.510 0.042 0.000 1.076 335 N CA -0.390 52.681 53.050 0.034 0.000 0.792 335 N CB 2.711 41.219 38.487 0.034 0.000 1.498 335 N HN -0.101 nan 8.380 nan 0.000 0.474 336 V N -0.810 119.136 119.914 0.054 0.000 2.881 336 V HA 0.670 4.790 4.120 0.000 0.000 0.316 336 V C 0.097 176.240 176.094 0.082 0.000 1.070 336 V CA -0.985 61.355 62.300 0.066 0.000 0.976 336 V CB 2.153 34.017 31.823 0.069 0.000 1.038 336 V HN 0.653 nan 8.190 nan 0.000 0.446 337 R N 2.955 123.509 120.500 0.091 0.000 2.437 337 R HA 0.705 5.045 4.340 0.000 0.000 0.310 337 R C -1.041 175.339 176.300 0.134 0.000 0.955 337 R CA -0.683 55.484 56.100 0.111 0.000 0.851 337 R CB 1.685 32.036 30.300 0.086 0.000 1.161 337 R HN 0.921 nan 8.270 nan 0.000 0.446 338 M N 5.777 125.474 119.600 0.162 0.000 2.101 338 M HA 0.342 4.822 4.480 0.000 0.000 0.340 338 M C -0.839 175.583 176.300 0.203 0.000 1.057 338 M CA -0.435 54.965 55.300 0.167 0.000 0.984 338 M CB 2.007 34.711 32.600 0.173 0.000 1.560 338 M HN 0.437 nan 8.290 nan 0.000 0.435 339 M N 4.538 124.253 119.600 0.191 0.000 2.061 339 M HA 0.467 4.947 4.480 0.000 0.000 0.346 339 M C -1.197 175.184 176.300 0.134 0.000 1.112 339 M CA -0.549 54.878 55.300 0.211 0.000 1.021 339 M CB 0.966 33.704 32.600 0.230 0.000 1.530 339 M HN 0.391 nan 8.290 nan 0.000 0.437 340 L N 2.201 123.484 121.223 0.100 0.000 2.341 340 L HA 0.670 5.010 4.340 0.000 0.000 0.267 340 L C 0.544 177.445 176.870 0.051 0.000 1.009 340 L CA 0.078 54.973 54.840 0.092 0.000 0.819 340 L CB 2.028 44.155 42.059 0.114 0.000 1.323 340 L HN 0.689 nan 8.230 nan 0.000 0.425 341 T N -0.391 114.194 114.554 0.052 0.000 3.280 341 T HA 0.266 4.616 4.350 0.000 0.000 0.256 341 T C -0.773 173.947 174.700 0.033 0.000 0.995 341 T CA 0.434 62.553 62.100 0.033 0.000 1.144 341 T CB 1.143 70.030 68.868 0.031 0.000 1.140 341 T HN 0.764 nan 8.240 nan 0.000 0.423 342 D N -0.359 120.062 120.400 0.035 0.000 2.992 342 D HA 0.219 4.859 4.640 0.000 0.000 0.349 342 D C 0.609 176.919 176.300 0.017 0.000 1.393 342 D CA 0.054 54.068 54.000 0.024 0.000 0.887 342 D CB -0.037 40.773 40.800 0.017 0.000 1.447 342 D HN 0.058 nan 8.370 nan 0.000 0.524 343 S N -1.259 114.440 115.700 -0.001 0.000 2.561 343 S HA 0.051 4.521 4.470 0.000 0.000 0.225 343 S C 1.205 175.803 174.600 -0.003 0.000 0.977 343 S CA 0.664 58.852 58.200 -0.020 0.000 0.926 343 S CB -0.085 63.091 63.200 -0.040 0.000 0.769 343 S HN 0.499 nan 8.310 nan 0.000 0.533 344 V N 0.973 120.894 119.914 0.011 0.000 3.253 344 V HA 0.438 4.558 4.120 0.000 0.000 0.320 344 V C -0.354 175.758 176.094 0.029 0.000 1.442 344 V CA -0.085 62.225 62.300 0.017 0.000 1.097 344 V CB 0.320 32.148 31.823 0.009 0.000 1.008 344 V HN 0.476 nan 8.190 nan 0.000 0.463 345 S N -0.189 115.535 115.700 0.040 0.000 2.568 345 S HA 0.600 5.070 4.470 0.000 0.000 0.293 345 S C -0.017 174.626 174.600 0.072 0.000 1.089 345 S CA -0.393 57.836 58.200 0.048 0.000 0.945 345 S CB 2.050 65.274 63.200 0.041 0.000 1.077 345 S HN 0.362 nan 8.310 nan 0.000 0.485 346 S N 1.075 116.817 115.700 0.070 0.000 2.589 346 S HA 0.354 4.824 4.470 0.000 0.000 0.265 346 S C -0.051 174.603 174.600 0.090 0.000 1.342 346 S CA -0.605 57.645 58.200 0.083 0.000 1.005 346 S CB 0.334 63.571 63.200 0.062 0.000 0.909 346 S HN 0.485 nan 8.310 nan 0.000 0.555 347 V N 1.643 121.613 119.914 0.093 0.000 2.630 347 V HA 0.472 4.593 4.120 0.000 0.000 0.305 347 V C -0.035 176.100 176.094 0.068 0.000 1.046 347 V CA -0.716 61.640 62.300 0.094 0.000 0.934 347 V CB 1.587 33.471 31.823 0.101 0.000 1.003 347 V HN 0.825 nan 8.190 nan 0.000 0.451 348 Q N 2.763 122.615 119.800 0.087 0.000 2.333 348 Q HA 0.714 5.054 4.340 0.000 0.000 0.267 348 Q C -1.544 174.522 176.000 0.110 0.000 1.012 348 Q CA -0.527 55.330 55.803 0.090 0.000 0.824 348 Q CB 1.817 30.606 28.738 0.086 0.000 1.290 348 Q HN 0.742 nan 8.270 nan 0.000 0.449 349 I N 2.574 123.225 120.570 0.134 0.000 2.530 349 I HA 0.501 4.671 4.170 0.000 0.000 0.297 349 I C -0.538 175.708 176.117 0.215 0.000 1.011 349 I CA -0.620 60.770 61.300 0.151 0.000 1.107 349 I CB 2.145 40.207 38.000 0.103 0.000 1.285 349 I HN 0.648 nan 8.210 nan 0.000 0.436 350 E N 2.440 122.738 120.200 0.164 0.000 2.392 350 E HA 0.155 4.505 4.350 0.000 0.000 0.279 350 E C -1.660 175.009 176.600 0.115 0.000 0.964 350 E CA -0.971 55.523 56.400 0.157 0.000 0.777 350 E CB 2.185 31.941 29.700 0.093 0.000 1.249 350 E HN 0.475 nan 8.360 nan 0.000 0.449 351 D N 1.139 121.603 120.400 0.108 0.000 2.520 351 D HA -0.020 4.620 4.640 0.000 0.000 0.243 351 D C 0.814 177.145 176.300 0.051 0.000 1.160 351 D CA 0.548 54.589 54.000 0.068 0.000 0.877 351 D CB 1.205 42.042 40.800 0.062 0.000 1.150 351 D HN 0.592 nan 8.370 nan 0.000 0.494 352 A N 4.068 126.915 122.820 0.045 0.000 2.032 352 A HA -0.119 4.201 4.320 0.000 0.000 0.221 352 A C 1.920 179.516 177.584 0.019 0.000 1.165 352 A CA 2.002 54.059 52.037 0.033 0.000 0.645 352 A CB -0.300 18.720 19.000 0.034 0.000 0.807 352 A HN 0.650 nan 8.150 nan 0.000 0.453 353 A N -1.920 120.913 122.820 0.021 0.000 2.308 353 A HA 0.509 4.829 4.320 0.000 0.000 0.217 353 A C 0.832 178.422 177.584 0.011 0.000 1.216 353 A CA 0.860 52.905 52.037 0.014 0.000 0.864 353 A CB -0.095 18.913 19.000 0.015 0.000 0.902 353 A HN 0.738 nan 8.150 nan 0.000 0.499 354 S N -1.135 114.574 115.700 0.015 0.000 2.562 354 S HA 0.327 4.797 4.470 0.000 0.000 0.274 354 S C -0.320 174.286 174.600 0.010 0.000 1.160 354 S CA -0.472 57.734 58.200 0.010 0.000 0.933 354 S CB 1.161 64.369 63.200 0.013 0.000 1.100 354 S HN 0.323 nan 8.310 nan 0.000 0.468 355 Q N 2.138 121.936 119.800 -0.003 0.000 2.365 355 Q HA 0.123 4.464 4.340 0.000 0.000 0.203 355 Q C 1.478 177.461 176.000 -0.029 0.000 0.929 355 Q CA 0.184 55.981 55.803 -0.010 0.000 0.948 355 Q CB 0.132 28.863 28.738 -0.012 0.000 1.043 355 Q HN 0.696 nan 8.270 nan 0.000 0.505 356 S N 0.985 116.668 115.700 -0.028 0.000 2.359 356 S HA -0.094 4.376 4.470 0.000 0.000 0.224 356 S C 0.920 175.465 174.600 -0.093 0.000 1.035 356 S CA 1.030 59.198 58.200 -0.053 0.000 1.018 356 S CB 0.019 63.197 63.200 -0.037 0.000 0.876 356 S HN 0.480 nan 8.310 nan 0.000 0.448 357 A N 0.403 123.179 122.820 -0.074 0.000 2.324 357 A HA 0.826 5.146 4.320 0.000 0.000 0.330 357 A C -0.395 177.062 177.584 -0.211 0.000 1.165 357 A CA -0.323 51.613 52.037 -0.168 0.000 0.813 357 A CB 1.172 20.141 19.000 -0.052 0.000 1.197 357 A HN 0.508 nan 8.150 nan 0.000 0.484 358 A N 1.049 123.581 122.820 -0.481 0.000 2.549 358 A HA 0.762 5.082 4.320 0.000 0.000 0.297 358 A C -1.728 175.466 177.584 -0.651 0.000 1.061 358 A CA -0.402 51.425 52.037 -0.349 0.000 0.690 358 A CB 0.972 19.878 19.000 -0.156 0.000 1.287 358 A HN 0.832 nan 8.150 nan 0.000 0.402 359 Y N 0.128 120.428 120.300 0.001 0.000 2.442 359 Y HA 0.585 5.135 4.550 0.000 0.000 0.344 359 Y C -0.251 175.642 175.900 -0.011 0.000 0.976 359 Y CA -0.874 57.224 58.100 -0.004 0.000 1.040 359 Y CB 2.558 41.038 38.460 0.033 0.000 1.228 359 Y HN 0.434 nan 8.280 nan 0.000 0.451 360 V N 4.164 124.133 119.914 0.091 0.000 2.444 360 V HA 0.581 4.701 4.120 0.000 0.000 0.294 360 V C -0.804 175.304 176.094 0.024 0.000 1.022 360 V CA -0.800 61.529 62.300 0.048 0.000 0.850 360 V CB 1.688 33.530 31.823 0.031 0.000 0.992 360 V HN 0.558 nan 8.190 nan 0.000 0.426 361 V N 5.725 125.642 119.914 0.004 0.000 2.604 361 V HA 0.510 4.630 4.120 0.000 0.000 0.305 361 V C 0.075 176.202 176.094 0.054 0.000 1.043 361 V CA -0.567 61.730 62.300 -0.005 0.000 0.888 361 V CB 2.046 33.790 31.823 -0.132 0.000 0.995 361 V HN 0.814 nan 8.190 nan 0.000 0.429 362 M N 6.388 126.056 119.600 0.114 0.000 2.288 362 M HA 0.407 4.888 4.480 0.000 0.000 0.334 362 M C -2.340 174.071 176.300 0.185 0.000 1.150 362 M CA -1.534 53.845 55.300 0.131 0.000 1.118 362 M CB 1.469 34.147 32.600 0.130 0.000 1.501 362 M HN 0.391 nan 8.290 nan 0.000 0.462 363 P HA 0.246 nan 4.420 nan 0.000 0.278 363 P C -1.423 175.946 177.300 0.115 0.000 1.238 363 P CA -0.029 63.165 63.100 0.155 0.000 0.794 363 P CB 0.709 32.465 31.700 0.093 0.000 0.955 364 M N 1.630 121.282 119.600 0.086 0.000 2.383 364 M HA 0.401 4.881 4.480 0.000 0.000 0.325 364 M C 0.367 176.658 176.300 -0.016 0.000 1.092 364 M CA -0.927 54.394 55.300 0.036 0.000 0.961 364 M CB 2.316 34.941 32.600 0.042 0.000 1.672 364 M HN 0.170 nan 8.290 nan 0.000 0.438 365 R N 2.478 122.964 120.500 -0.024 0.000 2.248 365 R HA 0.557 4.897 4.340 0.000 0.000 0.328 365 R C -1.708 174.561 176.300 -0.050 0.000 1.067 365 R CA 0.086 56.161 56.100 -0.041 0.000 0.924 365 R CB 0.159 30.438 30.300 -0.035 0.000 1.013 365 R HN 0.517 nan 8.270 nan 0.000 0.454 366 L N 0.000 121.188 121.223 -0.058 0.000 2.949 366 L HA 0.000 4.340 4.340 0.000 0.000 0.249 366 L CA 0.000 54.810 54.840 -0.049 0.000 0.813 366 L CB 0.000 42.026 42.059 -0.055 0.000 0.961 366 L HN 0.000 nan 8.230 nan 0.000 0.502