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 1p2o_1_A DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL XXXXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYXXAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN 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 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.159 174.090 0.115 0.000 1.270 1 c CA 0.000 56.404 56.329 0.125 0.000 1.963 1 c CB 0.000 42.555 42.510 0.075 0.000 2.134 2 G N 0.608 109.478 108.800 0.116 0.000 2.168 2 G HA2 -0.092 3.871 3.960 0.005 0.000 0.263 2 G HA3 -0.092 3.871 3.960 0.005 0.000 0.263 2 G C -0.163 174.995 174.900 0.430 0.000 0.977 2 G CA 0.486 45.689 45.100 0.172 0.000 0.659 2 G HN 2.010 nan 8.290 nan 0.000 0.533 3 V N 1.864 122.001 119.914 0.371 0.000 2.305 3 V HA 0.395 4.518 4.120 0.005 0.000 0.275 3 V C -1.832 174.404 176.094 0.238 0.000 1.020 3 V CA -1.473 61.005 62.300 0.297 0.000 0.811 3 V CB 1.656 33.575 31.823 0.161 0.000 1.031 3 V HN 0.152 nan 8.190 nan 0.000 0.439 4 P HA 0.229 nan 4.420 nan 0.000 0.268 4 P C 0.798 178.074 177.300 -0.039 0.000 1.204 4 P CA -0.059 63.029 63.100 -0.019 0.000 0.768 4 P CB 1.239 32.804 31.700 -0.226 0.000 0.842 5 A N 3.857 126.638 122.820 -0.066 0.000 2.015 5 A HA -0.017 4.306 4.320 0.005 0.000 0.219 5 A C 0.931 178.460 177.584 -0.092 0.000 1.163 5 A CA 0.998 53.002 52.037 -0.054 0.000 0.646 5 A CB -0.604 18.366 19.000 -0.049 0.000 0.806 5 A HN 0.557 nan 8.150 nan 0.000 0.448 6 I N 1.141 121.618 120.570 -0.155 0.000 2.354 6 I HA 0.151 4.324 4.170 0.005 0.000 0.286 6 I C -0.604 175.360 176.117 -0.256 0.000 1.007 6 I CA -0.676 60.508 61.300 -0.193 0.000 1.167 6 I CB 1.373 39.235 38.000 -0.229 0.000 1.320 6 I HN 0.157 nan 8.210 nan 0.000 0.458 7 Q N 7.787 127.472 119.800 -0.192 0.000 2.311 7 Q HA 0.213 4.557 4.340 0.005 0.000 0.272 7 Q C -2.127 173.695 176.000 -0.296 0.000 1.012 7 Q CA -1.276 54.409 55.803 -0.197 0.000 0.891 7 Q CB 0.606 29.288 28.738 -0.093 0.000 1.201 7 Q HN 0.365 nan 8.270 nan 0.000 0.391 8 P HA 0.218 nan 4.420 nan 0.000 0.277 8 P C -0.770 176.413 177.300 -0.194 0.000 1.240 8 P CA -0.392 62.398 63.100 -0.515 0.000 0.798 8 P CB 1.020 32.060 31.700 -1.100 0.000 0.979 9 V N 3.227 123.073 119.914 -0.114 0.000 2.407 9 V HA 0.325 4.448 4.120 0.005 0.000 0.291 9 V C 0.526 176.645 176.094 0.040 0.000 1.018 9 V CA -0.429 61.858 62.300 -0.021 0.000 0.842 9 V CB 1.092 32.895 31.823 -0.034 0.000 0.996 9 V HN 0.426 nan 8.190 nan 0.000 0.426 17 V N 5.722 125.647 119.914 0.019 0.000 2.498 17 V HA 0.328 4.451 4.120 0.005 0.000 0.279 17 V C 0.938 177.040 176.094 0.013 0.000 1.048 17 V CA 0.007 62.323 62.300 0.026 0.000 0.967 17 V CB 1.023 32.872 31.823 0.044 0.000 0.988 17 V HN 1.013 nan 8.190 nan 0.000 0.473 18 N N 1.918 120.626 118.700 0.012 0.000 2.782 18 N HA -0.160 4.583 4.740 0.005 0.000 0.251 18 N C 0.722 176.233 175.510 0.001 0.000 1.101 18 N CA 0.357 53.411 53.050 0.008 0.000 0.764 18 N CB -0.542 37.950 38.487 0.009 0.000 1.122 18 N HN 0.884 nan 8.380 nan 0.000 0.561 19 G N 0.586 109.382 108.800 -0.007 0.000 2.531 19 G HA2 0.528 4.491 3.960 0.005 0.000 0.253 19 G HA3 0.528 4.491 3.960 0.005 0.000 0.253 19 G C -0.146 174.748 174.900 -0.009 0.000 1.439 19 G CA 0.045 45.134 45.100 -0.017 0.000 1.056 19 G HN 0.395 nan 8.290 nan 0.000 0.555 20 E N -1.561 118.633 120.200 -0.010 0.000 2.433 20 E HA 0.391 4.744 4.350 0.005 0.000 0.278 20 E C -1.132 175.476 176.600 0.014 0.000 0.976 20 E CA -0.814 55.590 56.400 0.008 0.000 0.793 20 E CB 1.696 31.409 29.700 0.022 0.000 1.311 20 E HN 0.402 nan 8.360 nan 0.000 0.460 21 E N 0.655 120.878 120.200 0.038 0.000 2.384 21 E HA 0.342 4.695 4.350 0.005 0.000 0.266 21 E C -0.771 175.900 176.600 0.118 0.000 1.012 21 E CA -0.208 56.239 56.400 0.079 0.000 0.901 21 E CB 0.819 30.587 29.700 0.113 0.000 0.967 21 E HN 0.544 nan 8.360 nan 0.000 0.435 22 A N 3.605 126.534 122.820 0.180 0.000 2.286 22 A HA 0.321 4.644 4.320 0.005 0.000 0.286 22 A C -0.398 177.230 177.584 0.073 0.000 1.097 22 A CA -0.701 51.444 52.037 0.180 0.000 0.821 22 A CB 0.977 20.149 19.000 0.286 0.000 1.076 22 A HN 0.511 nan 8.150 nan 0.000 0.490 23 V N 2.817 122.670 119.914 -0.101 0.000 2.585 23 V HA 0.125 4.249 4.120 0.005 0.000 0.296 23 V C -2.029 173.801 176.094 -0.439 0.000 1.035 23 V CA -0.776 61.368 62.300 -0.261 0.000 1.084 23 V CB 0.566 32.232 31.823 -0.262 0.000 0.953 23 V HN 0.740 nan 8.190 nan 0.000 0.483 24 P HA 0.082 nan 4.420 nan 0.000 0.256 24 P C 0.912 177.937 177.300 -0.458 0.000 1.173 24 P CA 1.574 64.078 63.100 -0.993 0.000 0.768 24 P CB 0.133 31.248 31.700 -0.975 0.000 0.758 25 G N 3.198 111.828 108.800 -0.284 0.000 2.155 25 G HA2 -0.315 3.648 3.960 0.005 0.000 0.257 25 G HA3 -0.315 3.648 3.960 0.005 0.000 0.257 25 G C 1.033 175.730 174.900 -0.337 0.000 0.983 25 G CA 0.546 45.516 45.100 -0.217 0.000 0.676 25 G HN 0.595 nan 8.290 nan 0.000 0.528 26 S N -1.838 113.580 115.700 -0.470 0.000 2.607 26 S HA 0.206 4.679 4.470 0.005 0.000 0.224 26 S C 0.573 174.472 174.600 -1.169 0.000 0.969 26 S CA 0.539 58.280 58.200 -0.765 0.000 0.927 26 S CB -0.225 62.458 63.200 -0.862 0.000 0.772 26 S HN 0.650 nan 8.310 nan 0.000 0.533 27 W N 2.037 122.978 121.300 -0.598 0.000 2.104 27 W HA 0.418 5.081 4.660 0.005 0.000 0.291 27 W C -2.149 173.794 176.519 -0.960 0.000 0.936 27 W CA -2.059 54.669 57.345 -1.029 0.000 1.856 27 W CB 1.127 30.107 29.460 -0.799 0.000 2.036 27 W HN 0.047 nan 8.180 nan 0.000 0.393 28 P HA -0.209 nan 4.420 nan 0.000 0.223 28 P C 0.855 178.023 177.300 -0.219 0.000 1.144 28 P CA 1.715 64.591 63.100 -0.374 0.000 0.783 28 P CB 0.063 31.589 31.700 -0.289 0.000 0.771 29 W N -0.245 121.057 121.300 0.003 0.000 3.003 29 W HA 0.331 4.994 4.660 0.005 0.000 0.257 29 W C 0.763 177.312 176.519 0.051 0.000 1.308 29 W CA -0.478 56.869 57.345 0.004 0.000 1.529 29 W CB -1.525 27.951 29.460 0.026 0.000 1.115 29 W HN -0.148 nan 8.180 nan 0.000 0.659 30 Q N 2.996 122.792 119.800 -0.008 0.000 2.271 30 Q HA 0.297 4.640 4.340 0.005 0.000 0.273 30 Q C -0.190 175.926 176.000 0.193 0.000 1.051 30 Q CA -0.048 55.807 55.803 0.087 0.000 0.901 30 Q CB 0.853 29.531 28.738 -0.101 0.000 1.174 30 Q HN 0.256 nan 8.270 nan 0.000 0.385 31 V N 0.841 120.902 119.914 0.245 0.000 3.046 31 V HA 0.840 4.964 4.120 0.005 0.000 0.316 31 V C -0.607 175.674 176.094 0.311 0.000 1.104 31 V CA -0.805 61.644 62.300 0.248 0.000 1.006 31 V CB 2.028 33.945 31.823 0.157 0.000 1.058 31 V HN 0.693 nan 8.190 nan 0.000 0.440 32 S N 1.922 117.727 115.700 0.175 0.000 2.454 32 S HA 0.709 5.182 4.470 0.005 0.000 0.306 32 S C -0.749 173.787 174.600 -0.107 0.000 1.100 32 S CA -0.725 57.528 58.200 0.088 0.000 1.087 32 S CB 0.595 63.694 63.200 -0.169 0.000 1.019 32 S HN 0.763 nan 8.310 nan 0.000 0.480 33 L N 4.990 126.001 121.223 -0.353 0.000 2.264 33 L HA 0.513 4.856 4.340 0.005 0.000 0.289 33 L C 0.111 176.581 176.870 -0.666 0.000 1.044 33 L CA -0.413 54.111 54.840 -0.525 0.000 0.807 33 L CB 1.151 42.730 42.059 -0.799 0.000 1.192 33 L HN 0.659 nan 8.230 nan 0.000 0.425 34 Q N 1.415 121.136 119.800 -0.133 0.000 2.433 34 Q HA 0.329 4.672 4.340 0.005 0.000 0.279 34 Q C -1.111 175.129 176.000 0.400 0.000 1.105 34 Q CA -1.087 54.809 55.803 0.155 0.000 0.815 34 Q CB 2.719 31.488 28.738 0.052 0.000 1.403 34 Q HN 0.618 nan 8.270 nan 0.000 0.435 35 D N 0.090 120.734 120.400 0.408 0.000 2.433 35 D HA -0.019 4.625 4.640 0.005 0.000 0.255 35 D C 0.682 177.063 176.300 0.136 0.000 1.226 35 D CA -0.426 53.703 54.000 0.216 0.000 1.015 35 D CB 0.565 41.430 40.800 0.108 0.000 1.091 35 D HN 0.611 nan 8.370 nan 0.000 0.527 36 K N -1.606 118.837 120.400 0.072 0.000 2.360 36 K HA -0.174 4.149 4.320 0.005 0.000 0.201 36 K C 1.335 177.965 176.600 0.050 0.000 1.046 36 K CA 1.682 57.998 56.287 0.048 0.000 0.940 36 K CB -0.727 31.785 32.500 0.020 0.000 0.748 36 K HN 0.534 nan 8.250 nan 0.000 0.465 37 T N -3.839 110.757 114.554 0.069 0.000 3.060 37 T HA 0.280 4.633 4.350 0.005 0.000 0.249 37 T C 1.327 176.081 174.700 0.089 0.000 1.079 37 T CA 0.265 62.406 62.100 0.068 0.000 1.013 37 T CB 0.399 69.306 68.868 0.064 0.000 0.975 37 T HN 0.474 nan 8.240 nan 0.000 0.518 38 G N 0.954 109.821 108.800 0.112 0.000 2.148 38 G HA2 -0.171 3.792 3.960 0.005 0.000 0.203 38 G HA3 -0.171 3.792 3.960 0.005 0.000 0.203 38 G C -0.245 174.727 174.900 0.119 0.000 0.993 38 G CA -0.222 44.928 45.100 0.082 0.000 0.661 38 G HN 0.619 nan 8.290 nan 0.000 0.518 39 F N 2.727 122.713 119.950 0.060 0.000 2.444 39 F HA 0.611 5.140 4.527 0.004 0.000 0.360 39 F C 0.842 176.741 175.800 0.165 0.000 1.106 39 F CA -1.019 57.036 58.000 0.092 0.000 1.170 39 F CB 0.421 39.472 39.000 0.083 0.000 1.113 39 F HN 0.291 nan 8.300 nan 0.000 0.521 40 H N 6.977 125.734 119.070 -0.521 0.000 2.899 40 H HA 0.170 4.729 4.556 0.005 0.000 0.303 40 H C 0.077 175.214 175.328 -0.318 0.000 1.042 40 H CA 0.226 56.033 56.048 -0.401 0.000 1.479 40 H CB 0.325 29.816 29.762 -0.452 0.000 1.493 40 H HN 0.619 nan 8.280 nan 0.000 0.534 41 F N 1.256 120.904 119.950 -0.503 0.000 2.784 41 F HA 0.447 4.977 4.527 0.004 0.000 0.323 41 F C -0.431 175.199 175.800 -0.284 0.000 1.085 41 F CA -0.758 57.119 58.000 -0.205 0.000 1.196 41 F CB -0.110 38.928 39.000 0.064 0.000 1.053 41 F HN 0.434 nan 8.300 nan 0.000 0.578 42 c N 0.247 118.203 118.600 -1.073 0.000 3.292 42 c HA 0.722 5.296 4.570 0.005 0.000 0.338 42 c C 0.542 174.330 174.090 -0.503 0.000 1.323 42 c CA -0.604 55.367 56.329 -0.598 0.000 1.232 42 c CB 1.163 43.407 42.510 -0.443 0.000 1.517 42 c HN 0.698 nan 8.230 nan 0.000 0.470 43 G N -0.123 108.611 108.800 -0.110 0.000 2.613 43 G HA2 0.844 4.807 3.960 0.005 0.000 0.303 43 G HA3 0.844 4.807 3.960 0.005 0.000 0.303 43 G C -0.313 174.596 174.900 0.015 0.000 1.312 43 G CA 0.167 45.312 45.100 0.075 0.000 1.036 43 G HN 1.496 nan 8.290 nan 0.000 0.513 44 G N -1.860 106.994 108.800 0.090 0.000 2.559 44 G HA2 0.524 4.487 3.960 0.005 0.000 0.291 44 G HA3 0.524 4.487 3.960 0.005 0.000 0.291 44 G C -1.445 173.551 174.900 0.159 0.000 1.424 44 G CA -0.285 44.871 45.100 0.094 0.000 0.786 44 G HN 0.862 nan 8.290 nan 0.000 0.485 45 S N -0.438 115.365 115.700 0.171 0.000 2.557 45 S HA 0.530 5.003 4.470 0.005 0.000 0.291 45 S C -0.335 174.398 174.600 0.221 0.000 1.116 45 S CA -0.496 57.843 58.200 0.231 0.000 0.992 45 S CB 1.449 64.749 63.200 0.166 0.000 1.028 45 S HN 0.558 nan 8.310 nan 0.000 0.484 46 L N 3.936 125.324 121.223 0.274 0.000 2.360 46 L HA 0.354 4.697 4.340 0.005 0.000 0.276 46 L C 1.229 178.247 176.870 0.247 0.000 1.121 46 L CA -0.029 54.975 54.840 0.275 0.000 0.845 46 L CB 0.421 42.650 42.059 0.283 0.000 1.143 46 L HN 0.774 nan 8.230 nan 0.000 0.452 47 I N -0.308 120.410 120.570 0.247 0.000 4.057 47 I HA 0.320 4.493 4.170 0.005 0.000 0.334 47 I C 0.022 176.277 176.117 0.230 0.000 1.308 47 I CA -0.193 61.213 61.300 0.176 0.000 1.125 47 I CB 0.154 38.216 38.000 0.104 0.000 1.034 47 I HN 0.752 nan 8.210 nan 0.000 0.401 48 N N -0.350 118.563 118.700 0.355 0.000 3.465 48 N HA 0.047 4.790 4.740 0.005 0.000 0.244 48 N C -0.308 175.405 175.510 0.339 0.000 1.454 48 N CA -0.588 52.672 53.050 0.350 0.000 0.865 48 N CB 0.522 39.112 38.487 0.172 0.000 1.439 48 N HN -0.112 nan 8.380 nan 0.000 0.480 49 E N -0.690 119.444 120.200 -0.111 0.000 2.333 49 E HA 0.022 4.375 4.350 0.005 0.000 0.198 49 E C 0.189 176.801 176.600 0.020 0.000 1.007 49 E CA 1.113 57.363 56.400 -0.250 0.000 0.845 49 E CB -0.232 29.145 29.700 -0.539 0.000 0.766 49 E HN 0.472 nan 8.360 nan 0.000 0.507 50 N N -1.226 117.542 118.700 0.113 0.000 2.171 50 N HA 0.072 4.815 4.740 0.005 0.000 0.212 50 N C -0.884 174.568 175.510 -0.096 0.000 1.184 50 N CA 0.078 53.140 53.050 0.021 0.000 0.888 50 N CB 0.646 39.138 38.487 0.009 0.000 1.038 50 N HN 0.065 nan 8.380 nan 0.000 0.517 51 W N 0.707 122.044 121.300 0.062 0.000 2.998 51 W HA 0.522 5.185 4.660 0.005 0.000 0.335 51 W C -0.634 175.945 176.519 0.100 0.000 1.110 51 W CA -0.517 56.864 57.345 0.061 0.000 1.230 51 W CB 1.217 30.680 29.460 0.005 0.000 1.405 51 W HN -0.422 nan 8.180 nan 0.000 0.493 52 V N 3.364 123.472 119.914 0.324 0.000 2.680 52 V HA 0.596 4.719 4.120 0.005 0.000 0.309 52 V C -0.878 175.370 176.094 0.256 0.000 1.052 52 V CA -1.192 61.256 62.300 0.248 0.000 0.908 52 V CB 1.868 33.795 31.823 0.174 0.000 1.001 52 V HN 0.328 nan 8.190 nan 0.000 0.431 53 V N 4.278 124.317 119.914 0.208 0.000 2.459 53 V HA 0.835 4.958 4.120 0.005 0.000 0.295 53 V C -0.041 176.138 176.094 0.143 0.000 1.029 53 V CA 0.479 62.897 62.300 0.196 0.000 0.874 53 V CB 1.942 33.866 31.823 0.168 0.000 0.985 53 V HN 1.109 nan 8.190 nan 0.000 0.438 54 T N 4.412 119.042 114.554 0.126 0.000 2.618 54 T HA 0.771 5.124 4.350 0.005 0.000 0.293 54 T C -0.592 174.116 174.700 0.014 0.000 1.093 54 T CA 0.128 62.260 62.100 0.054 0.000 1.061 54 T CB 1.580 70.460 68.868 0.019 0.000 1.498 54 T HN 1.214 nan 8.240 nan 0.000 0.494 55 A N 0.372 123.143 122.820 -0.082 0.000 2.316 55 A HA 0.733 5.056 4.320 0.005 0.000 0.284 55 A C 1.450 178.883 177.584 -0.253 0.000 1.115 55 A CA 0.245 52.183 52.037 -0.165 0.000 0.812 55 A CB 0.305 19.114 19.000 -0.318 0.000 1.064 55 A HN 1.172 nan 8.150 nan 0.000 0.489 56 A N 0.978 123.620 122.820 -0.298 0.000 1.930 56 A HA -0.132 4.191 4.320 0.005 0.000 0.217 56 A C 1.760 179.025 177.584 -0.531 0.000 1.175 56 A CA 1.698 53.449 52.037 -0.476 0.000 0.627 56 A CB -0.982 17.518 19.000 -0.833 0.000 0.815 56 A HN 1.079 nan 8.150 nan 0.000 0.443 57 H N -1.842 116.963 119.070 -0.442 0.000 2.545 57 H HA -0.046 4.513 4.556 0.005 0.000 0.282 57 H C 1.627 176.931 175.328 -0.040 0.000 1.020 57 H CA 1.233 57.160 56.048 -0.200 0.000 1.243 57 H CB -0.784 28.972 29.762 -0.010 0.000 1.377 57 H HN 0.405 nan 8.280 nan 0.000 0.581 58 c N 1.136 119.523 118.600 -0.354 0.000 2.437 58 c HA 0.128 4.701 4.570 0.005 0.000 0.283 58 c C 2.011 176.150 174.090 0.083 0.000 1.424 58 c CA 0.846 57.135 56.329 -0.066 0.000 1.782 58 c CB -1.254 41.222 42.510 -0.057 0.000 1.833 58 c HN 0.912 nan 8.230 nan 0.000 0.532 59 G N 1.153 109.949 108.800 -0.007 0.000 2.305 59 G HA2 -0.227 3.736 3.960 0.005 0.000 0.287 59 G HA3 -0.227 3.736 3.960 0.005 0.000 0.287 59 G C 0.089 174.995 174.900 0.010 0.000 1.036 59 G CA 0.373 45.467 45.100 -0.010 0.000 0.887 59 G HN 0.442 nan 8.290 nan 0.000 0.505 60 V N 0.748 120.720 119.914 0.097 0.000 2.763 60 V HA 0.503 4.626 4.120 0.005 0.000 0.306 60 V C 1.204 177.330 176.094 0.055 0.000 1.059 60 V CA 0.854 63.244 62.300 0.149 0.000 1.138 60 V CB 0.991 32.925 31.823 0.185 0.000 0.940 60 V HN 0.974 nan 8.190 nan 0.000 0.489 61 T N -0.435 114.142 114.554 0.038 0.000 2.888 61 T HA 0.332 4.685 4.350 0.005 0.000 0.288 61 T C 0.982 175.691 174.700 0.015 0.000 1.063 61 T CA 0.077 62.178 62.100 0.002 0.000 1.010 61 T CB 1.606 70.456 68.868 -0.030 0.000 1.214 61 T HN 0.762 nan 8.240 nan 0.000 0.533 62 T N -1.222 113.328 114.554 -0.006 0.000 3.098 62 T HA 0.002 4.356 4.350 0.005 0.000 0.266 62 T C 1.680 176.382 174.700 0.003 0.000 1.145 62 T CA 0.922 63.019 62.100 -0.005 0.000 1.092 62 T CB -0.668 68.186 68.868 -0.024 0.000 0.908 62 T HN 0.476 nan 8.240 nan 0.000 0.526 63 S N 1.084 116.785 115.700 0.002 0.000 2.501 63 S HA 0.092 4.566 4.470 0.005 0.000 0.220 63 S C 0.611 175.229 174.600 0.030 0.000 0.997 63 S CA -0.093 58.110 58.200 0.005 0.000 0.919 63 S CB -0.071 63.121 63.200 -0.014 0.000 0.778 63 S HN 0.595 nan 8.310 nan 0.000 0.523 64 D N 0.980 121.416 120.400 0.060 0.000 2.411 64 D HA 0.453 5.096 4.640 0.005 0.000 0.251 64 D C -0.182 176.181 176.300 0.106 0.000 1.201 64 D CA -0.020 54.061 54.000 0.134 0.000 0.996 64 D CB 1.228 42.188 40.800 0.267 0.000 1.101 64 D HN -0.082 nan 8.370 nan 0.000 0.504 65 V N 0.327 120.310 119.914 0.116 0.000 2.962 65 V HA 0.295 4.418 4.120 0.005 0.000 0.313 65 V C -0.192 175.925 176.094 0.038 0.000 1.099 65 V CA -0.925 61.412 62.300 0.062 0.000 0.971 65 V CB 2.390 34.241 31.823 0.047 0.000 1.028 65 V HN 0.225 nan 8.190 nan 0.000 0.430 66 V N 3.402 123.333 119.914 0.029 0.000 2.370 66 V HA 0.417 4.540 4.120 0.005 0.000 0.279 66 V C -0.267 175.842 176.094 0.025 0.000 1.029 66 V CA -0.441 61.873 62.300 0.024 0.000 0.870 66 V CB 1.684 33.534 31.823 0.046 0.000 0.984 66 V HN 0.598 nan 8.190 nan 0.000 0.451 67 V N 5.198 125.118 119.914 0.010 0.000 2.328 67 V HA 0.731 4.854 4.120 0.005 0.000 0.278 67 V C 0.456 176.576 176.094 0.044 0.000 1.021 67 V CA -0.352 61.951 62.300 0.005 0.000 0.838 67 V CB 1.310 33.100 31.823 -0.055 0.000 0.999 67 V HN 0.961 nan 8.190 nan 0.000 0.447 68 A N 3.434 126.293 122.820 0.065 0.000 2.320 68 A HA 0.799 5.122 4.320 0.005 0.000 0.334 68 A C 1.115 178.749 177.584 0.084 0.000 1.147 68 A CA 0.061 52.155 52.037 0.094 0.000 0.820 68 A CB 1.110 20.175 19.000 0.108 0.000 1.218 68 A HN 1.974 nan 8.150 nan 0.000 0.482 69 G N -0.089 108.766 108.800 0.091 0.000 2.153 69 G HA2 -0.211 3.752 3.960 0.005 0.000 0.252 69 G HA3 -0.211 3.752 3.960 0.005 0.000 0.252 69 G C 0.072 175.043 174.900 0.119 0.000 0.994 69 G CA 0.687 45.834 45.100 0.078 0.000 0.698 69 G HN 1.066 nan 8.290 nan 0.000 0.521 70 E N -1.179 119.127 120.200 0.176 0.000 2.266 70 E HA 0.693 5.046 4.350 0.005 0.000 0.277 70 E C 0.608 177.482 176.600 0.457 0.000 1.018 70 E CA -0.945 55.578 56.400 0.205 0.000 0.840 70 E CB 0.539 30.245 29.700 0.010 0.000 1.082 70 E HN 0.234 nan 8.360 nan 0.000 0.395 71 F N 2.613 122.704 119.950 0.235 0.000 2.347 71 F HA 0.264 4.795 4.527 0.006 0.000 0.266 71 F C -0.062 175.928 175.800 0.318 0.000 0.884 71 F CA -0.071 58.098 58.000 0.283 0.000 1.123 71 F CB 0.637 39.703 39.000 0.111 0.000 1.098 71 F HN 0.405 nan 8.300 nan 0.000 0.803 72 D N 1.526 121.868 120.400 -0.096 0.000 2.454 72 D HA 0.162 4.806 4.640 0.005 0.000 0.225 72 D C 0.356 176.558 176.300 -0.163 0.000 1.081 72 D CA 0.017 53.876 54.000 -0.235 0.000 0.864 72 D CB 1.427 42.165 40.800 -0.103 0.000 1.040 72 D HN 0.429 nan 8.370 nan 0.000 0.517 73 Q N 1.724 121.361 119.800 -0.273 0.000 2.437 73 Q HA -0.005 4.338 4.340 0.005 0.000 0.210 73 Q C 1.528 177.408 176.000 -0.201 0.000 0.972 73 Q CA 0.598 56.200 55.803 -0.335 0.000 0.903 73 Q CB 0.411 28.807 28.738 -0.570 0.000 0.967 73 Q HN 0.499 nan 8.270 nan 0.000 0.486 74 G N 0.178 108.889 108.800 -0.148 0.000 3.042 74 G HA2 -0.021 3.942 3.960 0.005 0.000 0.212 74 G HA3 -0.021 3.942 3.960 0.005 0.000 0.212 74 G C 0.205 175.070 174.900 -0.059 0.000 1.166 74 G CA -0.163 44.881 45.100 -0.093 0.000 0.767 74 G HN 0.113 nan 8.290 nan 0.000 0.546 75 S N 0.454 116.121 115.700 -0.055 0.000 2.422 75 S HA 0.385 4.858 4.470 0.005 0.000 0.308 75 S C 1.581 176.168 174.600 -0.022 0.000 1.097 75 S CA 0.140 58.328 58.200 -0.021 0.000 1.099 75 S CB 1.202 64.408 63.200 0.011 0.000 0.976 75 S HN 0.276 nan 8.310 nan 0.000 0.471 76 S N 3.561 119.251 115.700 -0.015 0.000 2.496 76 S HA -0.059 4.414 4.470 0.005 0.000 0.224 76 S C 1.813 176.411 174.600 -0.003 0.000 0.996 76 S CA 0.737 58.929 58.200 -0.013 0.000 0.927 76 S CB -0.409 62.785 63.200 -0.011 0.000 0.774 76 S HN 0.815 nan 8.310 nan 0.000 0.524 77 S N 1.282 116.984 115.700 0.004 0.000 2.377 77 S HA 0.045 4.519 4.470 0.005 0.000 0.223 77 S C 0.735 175.344 174.600 0.016 0.000 1.030 77 S CA -0.035 58.171 58.200 0.010 0.000 0.970 77 S CB -0.834 62.374 63.200 0.013 0.000 0.830 77 S HN 0.637 nan 8.310 nan 0.000 0.473 78 E N 2.241 122.455 120.200 0.024 0.000 2.708 78 E HA -0.070 4.283 4.350 0.005 0.000 0.260 78 E C -0.778 175.838 176.600 0.027 0.000 0.937 78 E CA 0.408 56.830 56.400 0.037 0.000 0.953 78 E CB 0.331 30.065 29.700 0.058 0.000 0.915 78 E HN 0.396 nan 8.360 nan 0.000 0.487 79 K N 5.519 125.937 120.400 0.030 0.000 2.297 79 K HA 0.311 4.634 4.320 0.005 0.000 0.286 79 K C 0.157 176.775 176.600 0.031 0.000 1.053 79 K CA -0.106 56.197 56.287 0.025 0.000 0.940 79 K CB 0.456 32.970 32.500 0.023 0.000 1.019 79 K HN 0.411 nan 8.250 nan 0.000 0.475 80 I N -1.389 119.196 120.570 0.025 0.000 3.343 80 I HA 0.366 4.539 4.170 0.005 0.000 0.315 80 I C -1.286 174.849 176.117 0.030 0.000 1.153 80 I CA -1.351 59.966 61.300 0.029 0.000 0.952 80 I CB 2.094 40.102 38.000 0.013 0.000 1.287 80 I HN 0.380 nan 8.210 nan 0.000 0.472 81 Q N 1.571 121.393 119.800 0.037 0.000 2.327 81 Q HA 0.429 4.772 4.340 0.005 0.000 0.270 81 Q C -1.457 174.563 176.000 0.034 0.000 1.022 81 Q CA -0.712 55.116 55.803 0.041 0.000 0.773 81 Q CB 2.505 31.281 28.738 0.063 0.000 1.251 81 Q HN 0.423 nan 8.270 nan 0.000 0.457 82 K N 3.612 124.027 120.400 0.024 0.000 2.257 82 K HA 0.326 4.649 4.320 0.005 0.000 0.270 82 K C -0.681 175.934 176.600 0.024 0.000 1.098 82 K CA -0.178 56.120 56.287 0.019 0.000 0.943 82 K CB 0.489 32.996 32.500 0.012 0.000 1.316 82 K HN 0.377 nan 8.250 nan 0.000 0.447 83 L N 3.318 124.560 121.223 0.030 0.000 2.290 83 L HA 0.285 4.629 4.340 0.005 0.000 0.284 83 L C 0.392 177.274 176.870 0.020 0.000 1.078 83 L CA -0.593 54.263 54.840 0.028 0.000 0.815 83 L CB 0.581 42.664 42.059 0.041 0.000 1.162 83 L HN 0.316 nan 8.230 nan 0.000 0.435 84 K N 3.354 123.761 120.400 0.010 0.000 2.202 84 K HA 0.471 4.794 4.320 0.005 0.000 0.264 84 K C -0.545 176.052 176.600 -0.005 0.000 1.010 84 K CA -0.342 55.948 56.287 0.006 0.000 0.940 84 K CB 1.185 33.685 32.500 -0.000 0.000 0.983 84 K HN 0.446 nan 8.250 nan 0.000 0.475 85 I N 2.067 122.635 120.570 -0.003 0.000 2.336 85 I HA 0.100 4.273 4.170 0.005 0.000 0.292 85 I C 0.832 176.929 176.117 -0.033 0.000 0.991 85 I CA -0.137 61.153 61.300 -0.017 0.000 1.227 85 I CB 1.758 39.762 38.000 0.007 0.000 1.366 85 I HN 0.780 nan 8.210 nan 0.000 0.466 86 A N 6.415 129.200 122.820 -0.059 0.000 1.911 86 A HA 0.213 4.536 4.320 0.005 0.000 0.212 86 A C 0.723 178.271 177.584 -0.060 0.000 1.189 86 A CA 0.925 52.928 52.037 -0.057 0.000 0.639 86 A CB 0.253 19.211 19.000 -0.071 0.000 0.839 86 A HN 0.698 nan 8.150 nan 0.000 0.449 87 K N -0.985 119.375 120.400 -0.068 0.000 2.546 87 K HA 0.564 4.887 4.320 0.005 0.000 0.264 87 K C -1.905 174.641 176.600 -0.090 0.000 0.937 87 K CA -0.593 55.625 56.287 -0.116 0.000 0.833 87 K CB 2.761 35.182 32.500 -0.133 0.000 1.378 87 K HN -0.052 nan 8.250 nan 0.000 0.432 88 V N 2.693 122.495 119.914 -0.187 0.000 2.417 88 V HA 0.455 4.579 4.120 0.005 0.000 0.291 88 V C -1.140 174.851 176.094 -0.172 0.000 1.024 88 V CA -0.668 61.607 62.300 -0.042 0.000 0.861 88 V CB 0.752 32.571 31.823 -0.007 0.000 0.985 88 V HN 0.560 nan 8.190 nan 0.000 0.436 89 F N 3.835 123.911 119.950 0.210 0.000 2.307 89 F HA 0.448 4.978 4.527 0.005 0.000 0.369 89 F C 0.411 176.450 175.800 0.397 0.000 1.076 89 F CA -0.609 57.576 58.000 0.309 0.000 1.149 89 F CB 1.093 40.312 39.000 0.364 0.000 1.410 89 F HN 0.336 nan 8.300 nan 0.000 0.481 90 K N 2.573 123.182 120.400 0.347 0.000 2.234 90 K HA 0.137 4.460 4.320 0.005 0.000 0.282 90 K C 0.227 176.953 176.600 0.211 0.000 1.039 90 K CA -0.581 55.832 56.287 0.211 0.000 0.928 90 K CB 0.592 33.140 32.500 0.081 0.000 1.039 90 K HN 0.416 nan 8.250 nan 0.000 0.470 91 N N 2.420 121.052 118.700 -0.113 0.000 2.434 91 N HA -0.086 4.657 4.740 0.005 0.000 0.268 91 N C 0.691 176.140 175.510 -0.102 0.000 1.256 91 N CA 0.368 53.146 53.050 -0.454 0.000 0.914 91 N CB 0.918 38.771 38.487 -1.057 0.000 1.088 91 N HN 0.718 nan 8.380 nan 0.000 0.478 92 S N 3.403 119.120 115.700 0.029 0.000 2.500 92 S HA -0.076 4.397 4.470 0.005 0.000 0.239 92 S C 1.087 175.701 174.600 0.023 0.000 0.989 92 S CA 0.855 59.095 58.200 0.066 0.000 0.951 92 S CB -0.021 63.244 63.200 0.108 0.000 0.759 92 S HN 0.622 nan 8.310 nan 0.000 0.523 93 K N -0.086 120.287 120.400 -0.045 0.000 2.426 93 K HA 0.124 4.447 4.320 0.005 0.000 0.193 93 K C -0.007 176.578 176.600 -0.025 0.000 1.028 93 K CA -0.277 55.982 56.287 -0.045 0.000 1.047 93 K CB -0.067 32.383 32.500 -0.082 0.000 0.821 93 K HN 0.524 nan 8.250 nan 0.000 0.513 94 Y N 2.971 123.201 120.300 -0.116 0.000 2.721 94 Y HA -0.087 4.465 4.550 0.005 0.000 0.329 94 Y C 0.027 175.896 175.900 -0.052 0.000 1.211 94 Y CA -0.355 57.696 58.100 -0.082 0.000 1.512 94 Y CB 0.072 38.492 38.460 -0.068 0.000 1.249 94 Y HN -0.045 nan 8.280 nan 0.000 0.549 95 N N 4.048 122.334 118.700 -0.690 0.000 2.462 95 N HA 0.018 4.761 4.740 0.005 0.000 0.242 95 N C 0.476 175.432 175.510 -0.923 0.000 1.010 95 N CA 0.429 53.125 53.050 -0.590 0.000 0.939 95 N CB 1.014 39.303 38.487 -0.330 0.000 1.127 95 N HN 0.798 nan 8.380 nan 0.000 0.509 96 S N 3.138 118.417 115.700 -0.703 0.000 2.547 96 S HA -0.031 4.442 4.470 0.005 0.000 0.235 96 S C 1.607 176.039 174.600 -0.280 0.000 0.980 96 S CA 0.441 58.377 58.200 -0.440 0.000 0.941 96 S CB -0.061 63.077 63.200 -0.103 0.000 0.763 96 S HN 0.586 nan 8.310 nan 0.000 0.532 97 L N 1.040 122.092 121.223 -0.285 0.000 2.269 97 L HA 0.110 4.453 4.340 0.005 0.000 0.200 97 L C 2.903 179.618 176.870 -0.258 0.000 1.069 97 L CA 1.238 55.947 54.840 -0.218 0.000 0.804 97 L CB -0.831 41.129 42.059 -0.164 0.000 0.987 97 L HN 0.507 nan 8.230 nan 0.000 0.468 98 T N -3.221 111.169 114.554 -0.273 0.000 3.057 98 T HA 0.188 4.541 4.350 0.005 0.000 0.254 98 T C 1.188 175.697 174.700 -0.318 0.000 1.094 98 T CA 0.084 62.023 62.100 -0.267 0.000 1.088 98 T CB 0.159 68.921 68.868 -0.178 0.000 0.934 98 T HN 0.251 nan 8.240 nan 0.000 0.497 99 I N -0.306 120.056 120.570 -0.346 0.000 5.582 99 I HA -0.236 3.938 4.170 0.005 0.000 0.139 99 I C 0.154 176.256 176.117 -0.026 0.000 1.814 99 I CA 0.119 61.283 61.300 -0.227 0.000 2.037 99 I CB -2.593 35.220 38.000 -0.312 0.000 3.362 99 I HN 0.315 nan 8.210 nan 0.000 0.169 100 N N 2.549 121.191 118.700 -0.097 0.000 2.503 100 N HA 0.239 4.983 4.740 0.005 0.000 0.267 100 N C 0.581 176.118 175.510 0.045 0.000 1.214 100 N CA 0.503 53.559 53.050 0.011 0.000 0.959 100 N CB 0.380 38.855 38.487 -0.021 0.000 1.142 100 N HN 0.242 nan 8.380 nan 0.000 0.455 101 N N 0.629 119.378 118.700 0.081 0.000 2.756 101 N HA -0.221 4.522 4.740 0.005 0.000 0.248 101 N C -1.335 174.277 175.510 0.170 0.000 1.062 101 N CA 0.501 53.585 53.050 0.057 0.000 0.696 101 N CB -1.234 37.242 38.487 -0.018 0.000 0.946 101 N HN 0.639 nan 8.380 nan 0.000 0.548 102 D N 1.230 121.774 120.400 0.239 0.000 2.551 102 D HA 0.423 5.066 4.640 0.005 0.000 0.223 102 D C -0.021 176.299 176.300 0.034 0.000 1.144 102 D CA 0.038 54.182 54.000 0.239 0.000 1.025 102 D CB -0.208 40.805 40.800 0.356 0.000 1.085 102 D HN 0.499 nan 8.370 nan 0.000 0.506 103 I N 0.888 121.408 120.570 -0.083 0.000 2.752 103 I HA 0.397 4.570 4.170 0.005 0.000 0.295 103 I C -1.269 174.788 176.117 -0.100 0.000 1.219 103 I CA -0.295 60.960 61.300 -0.076 0.000 1.030 103 I CB 2.222 40.191 38.000 -0.051 0.000 1.259 103 I HN -0.046 nan 8.210 nan 0.000 0.423 104 T N 6.955 121.561 114.554 0.086 0.000 2.933 104 T HA 0.557 4.910 4.350 0.005 0.000 0.305 104 T C -1.028 173.906 174.700 0.390 0.000 1.092 104 T CA -0.443 61.799 62.100 0.236 0.000 1.008 104 T CB 1.725 70.655 68.868 0.104 0.000 1.102 104 T HN 0.334 nan 8.240 nan 0.000 0.469 105 L N 3.258 124.826 121.223 0.576 0.000 2.325 105 L HA 0.660 5.003 4.340 0.005 0.000 0.278 105 L C -0.854 176.327 176.870 0.519 0.000 1.023 105 L CA -0.959 54.201 54.840 0.533 0.000 0.811 105 L CB 1.375 43.737 42.059 0.505 0.000 1.249 105 L HN 0.375 nan 8.230 nan 0.000 0.431 106 L N 3.461 124.913 121.223 0.381 0.000 2.325 106 L HA 0.496 4.839 4.340 0.005 0.000 0.281 106 L C -0.303 176.532 176.870 -0.058 0.000 1.004 106 L CA -0.552 54.405 54.840 0.195 0.000 0.823 106 L CB 1.725 43.861 42.059 0.128 0.000 1.236 106 L HN 0.501 nan 8.230 nan 0.000 0.415 107 K N 4.563 124.783 120.400 -0.300 0.000 2.253 107 K HA 0.506 4.829 4.320 0.005 0.000 0.277 107 K C -0.695 175.673 176.600 -0.387 0.000 1.053 107 K CA -0.588 55.201 56.287 -0.829 0.000 0.892 107 K CB 0.872 32.787 32.500 -0.975 0.000 1.102 107 K HN 0.553 nan 8.250 nan 0.000 0.469 108 L N 3.097 124.118 121.223 -0.336 0.000 2.426 108 L HA 0.026 4.370 4.340 0.005 0.000 0.271 108 L C 1.717 178.506 176.870 -0.136 0.000 1.169 108 L CA -0.197 54.549 54.840 -0.158 0.000 0.836 108 L CB 1.316 43.324 42.059 -0.086 0.000 1.112 108 L HN 0.806 nan 8.230 nan 0.000 0.465 109 S N 1.367 117.020 115.700 -0.078 0.000 2.348 109 S HA -0.100 4.373 4.470 0.005 0.000 0.221 109 S C 0.832 175.404 174.600 -0.046 0.000 1.033 109 S CA 1.519 59.685 58.200 -0.056 0.000 1.010 109 S CB 0.002 63.182 63.200 -0.033 0.000 0.891 109 S HN 0.853 nan 8.310 nan 0.000 0.442 110 T N -0.044 114.490 114.554 -0.033 0.000 2.812 110 T HA 0.808 5.161 4.350 0.005 0.000 0.282 110 T C -0.261 174.429 174.700 -0.018 0.000 0.990 110 T CA -0.398 61.689 62.100 -0.022 0.000 0.960 110 T CB 1.533 70.396 68.868 -0.008 0.000 0.948 110 T HN 0.426 nan 8.240 nan 0.000 0.438 111 A N 2.709 125.515 122.820 -0.024 0.000 2.577 111 A HA 0.559 4.882 4.320 0.005 0.000 0.233 111 A C 0.944 178.535 177.584 0.012 0.000 1.076 111 A CA -0.043 51.980 52.037 -0.022 0.000 0.767 111 A CB -0.668 18.303 19.000 -0.049 0.000 1.017 111 A HN 1.607 nan 8.150 nan 0.000 0.511 112 A N 1.061 123.908 122.820 0.046 0.000 2.316 112 A HA 0.550 4.873 4.320 0.005 0.000 0.284 112 A C 0.616 178.279 177.584 0.132 0.000 1.115 112 A CA 0.266 52.384 52.037 0.134 0.000 0.812 112 A CB 0.418 19.583 19.000 0.275 0.000 1.064 112 A HN 1.433 nan 8.150 nan 0.000 0.489 113 S N 2.264 118.063 115.700 0.165 0.000 2.473 113 S HA 0.479 4.952 4.470 0.005 0.000 0.312 113 S C -0.348 174.435 174.600 0.305 0.000 1.087 113 S CA -0.570 57.725 58.200 0.158 0.000 1.077 113 S CB -0.995 62.265 63.200 0.100 0.000 1.065 113 S HN 0.363 nan 8.310 nan 0.000 0.510 114 F N 3.489 123.470 119.950 0.052 0.000 2.589 114 F HA 0.317 4.847 4.527 0.005 0.000 0.352 114 F C 1.465 177.291 175.800 0.044 0.000 1.168 114 F CA -0.157 57.878 58.000 0.058 0.000 1.353 114 F CB 0.387 39.428 39.000 0.068 0.000 1.116 114 F HN 0.723 nan 8.300 nan 0.000 0.608 115 S N 1.043 116.839 115.700 0.160 0.000 2.761 115 S HA 0.216 4.690 4.470 0.005 0.000 0.290 115 S C 0.379 174.988 174.600 0.015 0.000 1.222 115 S CA -0.647 57.602 58.200 0.082 0.000 0.954 115 S CB 1.307 64.546 63.200 0.064 0.000 1.281 115 S HN 0.431 nan 8.310 nan 0.000 0.527 116 Q N 0.621 120.419 119.800 -0.002 0.000 2.170 116 Q HA -0.011 4.332 4.340 0.005 0.000 0.203 116 Q C 1.569 177.524 176.000 -0.076 0.000 0.976 116 Q CA 2.158 57.940 55.803 -0.036 0.000 0.858 116 Q CB -0.267 28.449 28.738 -0.036 0.000 0.907 116 Q HN 0.888 nan 8.270 nan 0.000 0.433 117 T N -4.158 110.356 114.554 -0.067 0.000 3.044 117 T HA 0.338 4.691 4.350 0.005 0.000 0.260 117 T C -0.116 174.528 174.700 -0.094 0.000 1.019 117 T CA -0.405 61.641 62.100 -0.090 0.000 0.921 117 T CB 0.770 69.606 68.868 -0.054 0.000 1.053 117 T HN -0.077 nan 8.240 nan 0.000 0.533 118 V N 2.518 122.370 119.914 -0.103 0.000 2.462 118 V HA 0.729 4.852 4.120 0.005 0.000 0.288 118 V C -0.509 175.319 176.094 -0.443 0.000 1.020 118 V CA -0.436 61.770 62.300 -0.157 0.000 0.857 118 V CB 1.294 33.105 31.823 -0.021 0.000 1.013 118 V HN 0.702 nan 8.190 nan 0.000 0.431 119 S N 3.463 118.813 115.700 -0.583 0.000 2.727 119 S HA 0.953 5.427 4.470 0.005 0.000 0.278 119 S C -0.505 173.801 174.600 -0.490 0.000 1.186 119 S CA -0.295 57.288 58.200 -1.029 0.000 0.836 119 S CB 1.907 64.883 63.200 -0.373 0.000 1.186 119 S HN 1.336 nan 8.310 nan 0.000 0.499 120 A N 0.114 122.811 122.820 -0.205 0.000 2.282 120 A HA 0.836 5.159 4.320 0.005 0.000 0.319 120 A C -0.184 177.512 177.584 0.188 0.000 1.121 120 A CA -0.756 51.382 52.037 0.168 0.000 0.836 120 A CB 1.096 20.285 19.000 0.314 0.000 1.146 120 A HN 1.424 nan 8.150 nan 0.000 0.494 121 V N 0.731 120.609 119.914 -0.059 0.000 2.716 121 V HA 0.424 4.547 4.120 0.005 0.000 0.304 121 V C 0.117 176.057 176.094 -0.257 0.000 1.053 121 V CA -0.664 61.280 62.300 -0.592 0.000 0.984 121 V CB 1.119 32.230 31.823 -1.187 0.000 1.021 121 V HN 1.047 nan 8.190 nan 0.000 0.467 122 c N 5.737 124.199 118.600 -0.231 0.000 2.534 122 c HA 0.486 5.059 4.570 0.005 0.000 0.385 122 c C 0.235 174.271 174.090 -0.089 0.000 1.264 122 c CA -0.746 55.528 56.329 -0.093 0.000 2.342 122 c CB -0.039 42.446 42.510 -0.042 0.000 2.564 122 c HN 0.741 nan 8.230 nan 0.000 0.603 123 L N 4.252 125.451 121.223 -0.039 0.000 2.334 123 L HA 0.486 4.830 4.340 0.005 0.000 0.275 123 L C -1.739 175.143 176.870 0.019 0.000 1.036 123 L CA -1.225 53.603 54.840 -0.021 0.000 0.807 123 L CB 1.482 43.530 42.059 -0.019 0.000 1.231 123 L HN 0.512 nan 8.230 nan 0.000 0.438 124 P HA 0.241 nan 4.420 nan 0.000 0.278 124 P C -0.990 176.360 177.300 0.084 0.000 1.266 124 P CA -0.534 62.643 63.100 0.128 0.000 0.807 124 P CB 1.326 33.173 31.700 0.245 0.000 1.094 125 S N -0.276 115.470 115.700 0.077 0.000 2.585 125 S HA 0.359 4.832 4.470 0.005 0.000 0.277 125 S C 1.551 176.183 174.600 0.054 0.000 1.241 125 S CA -0.112 58.112 58.200 0.040 0.000 1.041 125 S CB 1.090 64.297 63.200 0.011 0.000 0.987 125 S HN 0.574 nan 8.310 nan 0.000 0.512 126 A N 2.207 125.053 122.820 0.043 0.000 2.032 126 A HA -0.141 4.182 4.320 0.005 0.000 0.221 126 A C 2.074 179.683 177.584 0.043 0.000 1.165 126 A CA 2.077 54.144 52.037 0.050 0.000 0.645 126 A CB -0.816 18.209 19.000 0.041 0.000 0.807 126 A HN 0.865 nan 8.150 nan 0.000 0.453 127 S N -0.663 115.049 115.700 0.020 0.000 2.548 127 S HA 0.068 4.541 4.470 0.005 0.000 0.215 127 S C 0.050 174.633 174.600 -0.029 0.000 0.976 127 S CA -0.234 57.966 58.200 -0.001 0.000 0.908 127 S CB -0.232 62.960 63.200 -0.013 0.000 0.781 127 S HN 0.422 nan 8.310 nan 0.000 0.519 128 D N 2.972 123.355 120.400 -0.029 0.000 2.472 128 D HA 0.230 4.873 4.640 0.005 0.000 0.237 128 D C -0.618 175.576 176.300 -0.176 0.000 1.141 128 D CA 0.760 54.668 54.000 -0.153 0.000 0.875 128 D CB 0.707 41.425 40.800 -0.137 0.000 1.192 128 D HN 0.415 nan 8.370 nan 0.000 0.450 129 D N 1.218 121.406 120.400 -0.354 0.000 2.462 129 D HA 0.225 4.868 4.640 0.005 0.000 0.245 129 D C -1.357 174.714 176.300 -0.380 0.000 1.122 129 D CA -0.562 53.302 54.000 -0.227 0.000 0.864 129 D CB 0.104 40.825 40.800 -0.130 0.000 1.098 129 D HN 0.037 nan 8.370 nan 0.000 0.541 130 F N 2.716 122.657 119.950 -0.016 0.000 2.334 130 F HA 0.550 5.080 4.527 0.006 0.000 0.367 130 F C 1.008 176.798 175.800 -0.017 0.000 1.115 130 F CA -0.958 57.030 58.000 -0.020 0.000 1.116 130 F CB 1.251 40.236 39.000 -0.025 0.000 1.230 130 F HN 0.365 nan 8.300 nan 0.000 0.484 131 A N 2.560 125.434 122.820 0.089 0.000 2.483 131 A HA 0.565 4.888 4.320 0.005 0.000 0.238 131 A C 0.451 178.073 177.584 0.064 0.000 1.070 131 A CA -0.224 51.846 52.037 0.056 0.000 0.770 131 A CB -0.043 18.969 19.000 0.020 0.000 1.008 131 A HN 0.911 nan 8.150 nan 0.000 0.497 132 A N 0.861 123.708 122.820 0.045 0.000 2.498 132 A HA 0.495 4.818 4.320 0.005 0.000 0.239 132 A C 1.615 179.216 177.584 0.028 0.000 1.068 132 A CA 0.826 52.884 52.037 0.035 0.000 0.766 132 A CB -0.546 18.472 19.000 0.029 0.000 1.003 132 A HN 2.748 nan 8.150 nan 0.000 0.497 133 G N 1.360 110.173 108.800 0.023 0.000 2.234 133 G HA2 -0.208 3.755 3.960 0.005 0.000 0.235 133 G HA3 -0.208 3.755 3.960 0.005 0.000 0.235 133 G C 0.525 175.439 174.900 0.024 0.000 0.997 133 G CA 0.327 45.438 45.100 0.019 0.000 0.623 133 G HN 1.250 nan 8.290 nan 0.000 0.514 134 T N 2.721 117.297 114.554 0.036 0.000 2.902 134 T HA 0.418 4.771 4.350 0.005 0.000 0.301 134 T C 0.597 175.319 174.700 0.037 0.000 1.012 134 T CA 1.072 63.200 62.100 0.047 0.000 1.151 134 T CB 0.976 69.895 68.868 0.086 0.000 0.946 134 T HN 0.257 nan 8.240 nan 0.000 0.542 135 T N 4.577 119.158 114.554 0.045 0.000 2.738 135 T HA 0.297 4.650 4.350 0.005 0.000 0.294 135 T C 0.460 175.212 174.700 0.087 0.000 0.914 135 T CA -0.514 61.619 62.100 0.054 0.000 1.052 135 T CB -0.400 68.508 68.868 0.066 0.000 0.897 135 T HN 0.682 nan 8.240 nan 0.000 0.522 136 c N 3.081 121.713 118.600 0.053 0.000 2.656 136 c HA 0.875 5.448 4.570 0.005 0.000 0.404 136 c C 0.250 174.373 174.090 0.054 0.000 1.423 136 c CA -0.688 55.689 56.329 0.081 0.000 1.784 136 c CB 1.358 43.842 42.510 -0.044 0.000 2.093 136 c HN 0.570 nan 8.230 nan 0.000 0.492 137 V N 0.106 120.020 119.914 0.001 0.000 2.925 137 V HA 0.717 4.840 4.120 0.005 0.000 0.311 137 V C -0.296 175.626 176.094 -0.286 0.000 1.104 137 V CA -0.165 62.036 62.300 -0.165 0.000 0.954 137 V CB 2.052 33.687 31.823 -0.313 0.000 1.022 137 V HN 0.973 nan 8.190 nan 0.000 0.427 138 T N 2.128 116.507 114.554 -0.292 0.000 2.893 138 T HA 0.816 5.169 4.350 0.005 0.000 0.291 138 T C -0.582 173.895 174.700 -0.372 0.000 1.028 138 T CA -0.001 61.947 62.100 -0.253 0.000 0.995 138 T CB 1.659 70.494 68.868 -0.055 0.000 1.051 138 T HN 1.093 nan 8.240 nan 0.000 0.470 139 T N 0.149 114.471 114.554 -0.387 0.000 2.896 139 T HA 0.927 5.280 4.350 0.005 0.000 0.297 139 T C -0.038 174.454 174.700 -0.346 0.000 1.108 139 T CA -0.299 61.515 62.100 -0.477 0.000 1.004 139 T CB 1.644 70.043 68.868 -0.781 0.000 1.159 139 T HN 1.236 nan 8.240 nan 0.000 0.499 140 G N -0.527 108.009 108.800 -0.439 0.000 2.320 140 G HA2 0.358 4.321 3.960 0.005 0.000 0.297 140 G HA3 0.358 4.321 3.960 0.005 0.000 0.297 140 G C -1.459 173.163 174.900 -0.464 0.000 1.344 140 G CA -0.828 44.043 45.100 -0.381 0.000 0.851 140 G HN 0.686 nan 8.290 nan 0.000 0.567 141 W N 1.306 122.507 121.300 -0.166 0.000 3.015 141 W HA 0.425 5.087 4.660 0.004 0.000 0.429 141 W C 1.011 177.411 176.519 -0.199 0.000 0.976 141 W CA -0.212 56.964 57.345 -0.282 0.000 2.086 141 W CB 0.921 30.024 29.460 -0.595 0.000 1.125 141 W HN 0.818 nan 8.180 nan 0.000 0.721 142 G N 0.782 109.624 108.800 0.071 0.000 2.606 142 G HA2 0.358 4.321 3.960 0.005 0.000 0.252 142 G HA3 0.358 4.321 3.960 0.005 0.000 0.252 142 G C 0.040 174.973 174.900 0.055 0.000 1.206 142 G CA -0.681 44.472 45.100 0.090 0.000 0.861 142 G HN -0.007 nan 8.290 nan 0.000 0.561 143 L N -0.090 121.175 121.223 0.072 0.000 2.573 143 L HA 0.017 4.361 4.340 0.005 0.000 0.290 143 L C 1.982 178.881 176.870 0.049 0.000 1.247 143 L CA 0.536 55.411 54.840 0.059 0.000 0.876 143 L CB 0.512 42.618 42.059 0.079 0.000 1.123 143 L HN 0.793 nan 8.230 nan 0.000 0.505 144 T N -0.704 113.871 114.554 0.035 0.000 3.086 144 T HA 0.148 4.501 4.350 0.005 0.000 0.250 144 T C 0.514 175.240 174.700 0.045 0.000 1.074 144 T CA -0.256 61.861 62.100 0.028 0.000 0.988 144 T CB 0.145 69.020 68.868 0.011 0.000 0.988 144 T HN 0.607 nan 8.240 nan 0.000 0.530 145 R N -0.159 120.376 120.500 0.060 0.000 2.515 145 R HA 0.413 4.756 4.340 0.005 0.000 0.278 145 R C -1.607 174.756 176.300 0.105 0.000 1.107 145 R CA -0.830 55.317 56.100 0.078 0.000 0.945 145 R CB 1.302 31.630 30.300 0.046 0.000 1.219 145 R HN 0.203 nan 8.270 nan 0.000 0.434 150 N N 1.067 119.773 118.700 0.010 0.000 2.472 150 N HA 0.704 5.448 4.740 0.005 0.000 0.289 150 N C 0.495 176.008 175.510 0.005 0.000 1.156 150 N CA 0.622 53.682 53.050 0.017 0.000 0.940 150 N CB 1.325 39.820 38.487 0.013 0.000 1.200 150 N HN 0.800 nan 8.380 nan 0.000 0.511 151 T N 0.159 114.708 114.554 -0.008 0.000 2.926 151 T HA 0.297 4.650 4.350 0.005 0.000 0.307 151 T C -2.247 172.438 174.700 -0.024 0.000 1.059 151 T CA -1.117 60.973 62.100 -0.018 0.000 1.122 151 T CB 0.588 69.418 68.868 -0.063 0.000 0.972 151 T HN 0.425 nan 8.240 nan 0.000 0.545 152 P HA 0.221 nan 4.420 nan 0.000 0.271 152 P C 0.104 177.407 177.300 0.004 0.000 1.218 152 P CA -0.344 62.753 63.100 -0.004 0.000 0.780 152 P CB 0.824 32.521 31.700 -0.005 0.000 0.901 153 D N 1.407 121.783 120.400 -0.040 0.000 2.123 153 D HA -0.043 4.600 4.640 0.005 0.000 0.200 153 D C 0.709 176.969 176.300 -0.066 0.000 0.976 153 D CA 1.301 55.249 54.000 -0.086 0.000 0.831 153 D CB 0.205 40.942 40.800 -0.104 0.000 0.974 153 D HN 0.412 nan 8.370 nan 0.000 0.469 154 R N 0.644 121.059 120.500 -0.141 0.000 2.349 154 R HA 0.303 4.646 4.340 0.005 0.000 0.299 154 R C -0.194 175.941 176.300 -0.275 0.000 1.027 154 R CA -0.983 54.871 56.100 -0.409 0.000 0.958 154 R CB 1.333 31.283 30.300 -0.585 0.000 1.047 154 R HN -0.035 nan 8.270 nan 0.000 0.468 155 L N 2.717 123.695 121.223 -0.409 0.000 2.593 155 L HA -0.109 4.234 4.340 0.005 0.000 0.287 155 L C -0.353 176.302 176.870 -0.358 0.000 1.243 155 L CA 1.204 55.594 54.840 -0.751 0.000 0.890 155 L CB 0.292 42.017 42.059 -0.557 0.000 1.134 155 L HN 0.478 nan 8.230 nan 0.000 0.502 156 Q N 4.372 123.920 119.800 -0.419 0.000 2.297 156 Q HA 0.518 4.861 4.340 0.005 0.000 0.268 156 Q C -1.060 174.796 176.000 -0.239 0.000 1.045 156 Q CA -0.600 55.072 55.803 -0.219 0.000 0.861 156 Q CB 2.035 30.670 28.738 -0.172 0.000 1.344 156 Q HN 0.775 nan 8.270 nan 0.000 0.452 157 Q N -1.009 118.704 119.800 -0.146 0.000 2.456 157 Q HA 0.905 5.248 4.340 0.005 0.000 0.284 157 Q C -1.740 174.194 176.000 -0.111 0.000 1.061 157 Q CA -1.219 54.471 55.803 -0.188 0.000 0.799 157 Q CB 2.278 30.967 28.738 -0.081 0.000 1.445 157 Q HN 0.549 nan 8.270 nan 0.000 0.411 158 A N 0.997 123.739 122.820 -0.131 0.000 2.540 158 A HA 0.647 4.970 4.320 0.005 0.000 0.297 158 A C -1.215 176.333 177.584 -0.060 0.000 1.056 158 A CA -0.696 51.302 52.037 -0.065 0.000 0.700 158 A CB 2.162 21.131 19.000 -0.051 0.000 1.280 158 A HN 0.571 nan 8.150 nan 0.000 0.398 159 S N 1.458 117.151 115.700 -0.010 0.000 2.525 159 S HA 0.776 5.249 4.470 0.005 0.000 0.278 159 S C -0.194 174.408 174.600 0.004 0.000 1.234 159 S CA -0.439 57.769 58.200 0.015 0.000 1.058 159 S CB 0.560 63.795 63.200 0.058 0.000 0.983 159 S HN 1.153 nan 8.310 nan 0.000 0.495 160 L N 0.542 121.762 121.223 -0.005 0.000 2.540 160 L HA 0.821 5.164 4.340 0.005 0.000 0.256 160 L C -3.187 173.673 176.870 -0.018 0.000 1.001 160 L CA -2.507 52.325 54.840 -0.012 0.000 0.843 160 L CB 2.376 44.422 42.059 -0.021 0.000 1.436 160 L HN 0.318 nan 8.230 nan 0.000 0.410 161 P HA 0.393 nan 4.420 nan 0.000 0.290 161 P C -0.927 176.355 177.300 -0.031 0.000 1.275 161 P CA -0.516 62.577 63.100 -0.012 0.000 0.841 161 P CB 1.954 33.653 31.700 -0.001 0.000 1.042 162 L N 2.517 123.722 121.223 -0.030 0.000 2.417 162 L HA 0.323 4.666 4.340 0.005 0.000 0.268 162 L C 0.647 177.514 176.870 -0.005 0.000 1.158 162 L CA -0.491 54.327 54.840 -0.038 0.000 0.819 162 L CB 0.012 42.059 42.059 -0.021 0.000 1.112 162 L HN 0.245 nan 8.230 nan 0.000 0.458 163 L N 1.330 122.556 121.223 0.005 0.000 2.334 163 L HA 0.421 4.764 4.340 0.005 0.000 0.273 163 L C 0.355 177.246 176.870 0.035 0.000 1.013 163 L CA -0.628 54.227 54.840 0.024 0.000 0.816 163 L CB 2.078 44.158 42.059 0.036 0.000 1.278 163 L HN 0.693 nan 8.230 nan 0.000 0.431 164 S N -0.021 115.702 115.700 0.038 0.000 2.593 164 S HA 0.119 4.592 4.470 0.005 0.000 0.269 164 S C 0.615 175.248 174.600 0.055 0.000 1.334 164 S CA -0.457 57.769 58.200 0.043 0.000 1.015 164 S CB 0.665 63.887 63.200 0.037 0.000 0.912 164 S HN 0.707 nan 8.310 nan 0.000 0.541 165 N N 0.612 119.347 118.700 0.058 0.000 2.166 165 N HA -0.104 4.639 4.740 0.005 0.000 0.186 165 N C 1.489 177.044 175.510 0.076 0.000 1.019 165 N CA 1.468 54.561 53.050 0.071 0.000 0.856 165 N CB -0.323 38.203 38.487 0.065 0.000 0.993 165 N HN 0.669 nan 8.380 nan 0.000 0.426 166 T N 0.747 115.337 114.554 0.060 0.000 2.708 166 T HA -0.146 4.207 4.350 0.005 0.000 0.266 166 T C 1.654 176.392 174.700 0.062 0.000 1.037 166 T CA 0.915 63.048 62.100 0.056 0.000 1.146 166 T CB -0.330 68.563 68.868 0.042 0.000 0.865 166 T HN 0.300 nan 8.240 nan 0.000 0.435 167 N N 0.520 119.254 118.700 0.057 0.000 2.188 167 N HA -0.099 4.645 4.740 0.005 0.000 0.184 167 N C 2.201 177.759 175.510 0.081 0.000 1.018 167 N CA 0.940 54.023 53.050 0.054 0.000 0.858 167 N CB -0.602 37.907 38.487 0.038 0.000 0.989 167 N HN 0.370 nan 8.380 nan 0.000 0.426 168 c N 1.321 119.986 118.600 0.108 0.000 2.446 168 c HA 0.065 4.639 4.570 0.005 0.000 0.277 168 c C 2.468 176.693 174.090 0.224 0.000 1.275 168 c CA 0.705 57.140 56.329 0.176 0.000 1.727 168 c CB -0.809 41.813 42.510 0.186 0.000 2.010 168 c HN 0.427 nan 8.230 nan 0.000 0.486 169 K N 0.324 120.829 120.400 0.175 0.000 2.283 169 K HA -0.101 4.222 4.320 0.005 0.000 0.202 169 K C 1.979 178.652 176.600 0.123 0.000 1.048 169 K CA 1.003 57.392 56.287 0.169 0.000 0.948 169 K CB -0.127 32.448 32.500 0.125 0.000 0.742 169 K HN 0.561 nan 8.250 nan 0.000 0.458 170 K N -0.408 120.053 120.400 0.101 0.000 2.280 170 K HA -0.189 4.134 4.320 0.005 0.000 0.202 170 K C 1.530 178.178 176.600 0.081 0.000 1.047 170 K CA 1.228 57.559 56.287 0.073 0.000 0.942 170 K CB -0.022 32.514 32.500 0.059 0.000 0.739 170 K HN 0.209 nan 8.250 nan 0.000 0.457 171 Y N -1.242 119.009 120.300 -0.082 0.000 2.447 171 Y HA 0.018 4.571 4.550 0.004 0.000 0.286 171 Y C 1.199 176.958 175.900 -0.235 0.000 1.153 171 Y CA 0.388 58.341 58.100 -0.244 0.000 1.241 171 Y CB -0.113 38.086 38.460 -0.435 0.000 1.284 171 Y HN -0.025 nan 8.280 nan 0.000 0.520 172 W N 1.304 122.641 121.300 0.063 0.000 3.047 172 W HA 0.292 4.954 4.660 0.004 0.000 0.250 172 W C 1.690 178.233 176.519 0.039 0.000 1.314 172 W CA 0.787 58.154 57.345 0.037 0.000 1.540 172 W CB -0.327 29.251 29.460 0.197 0.000 1.127 172 W HN 0.456 nan 8.180 nan 0.000 0.679 173 G N 1.311 110.235 108.800 0.208 0.000 2.614 173 G HA2 -0.491 3.472 3.960 0.005 0.000 0.303 173 G HA3 -0.491 3.472 3.960 0.005 0.000 0.303 173 G C 0.954 175.949 174.900 0.159 0.000 1.270 173 G CA 1.686 46.870 45.100 0.140 0.000 0.988 173 G HN 0.297 nan 8.290 nan 0.000 0.551 174 T N -0.900 113.721 114.554 0.112 0.000 3.160 174 T HA 0.206 4.559 4.350 0.005 0.000 0.257 174 T C 1.778 176.538 174.700 0.100 0.000 1.147 174 T CA 1.563 63.718 62.100 0.091 0.000 1.064 174 T CB 0.074 68.973 68.868 0.051 0.000 0.949 174 T HN 0.469 nan 8.240 nan 0.000 0.526 175 K N 0.909 121.400 120.400 0.152 0.000 2.365 175 K HA 0.179 4.503 4.320 0.005 0.000 0.199 175 K C 0.689 177.413 176.600 0.207 0.000 1.045 175 K CA 0.111 56.473 56.287 0.126 0.000 0.962 175 K CB -0.111 32.479 32.500 0.150 0.000 0.759 175 K HN 0.424 nan 8.250 nan 0.000 0.469 176 I N 3.240 123.953 120.570 0.239 0.000 2.363 176 I HA 0.006 4.179 4.170 0.005 0.000 0.292 176 I C 0.647 176.847 176.117 0.139 0.000 1.075 176 I CA -0.111 61.316 61.300 0.213 0.000 1.333 176 I CB 0.207 38.322 38.000 0.193 0.000 1.415 176 I HN -0.152 nan 8.210 nan 0.000 0.502 177 K N 4.739 125.216 120.400 0.128 0.000 2.240 177 K HA 0.207 4.530 4.320 0.005 0.000 0.237 177 K C 0.900 177.544 176.600 0.074 0.000 1.027 177 K CA -0.538 55.798 56.287 0.082 0.000 0.937 177 K CB 0.629 33.165 32.500 0.059 0.000 1.171 177 K HN 0.447 nan 8.250 nan 0.000 0.479 178 D N -0.591 119.842 120.400 0.055 0.000 2.310 178 D HA -0.090 4.554 4.640 0.005 0.000 0.212 178 D C 0.711 177.044 176.300 0.056 0.000 0.965 178 D CA 0.837 54.868 54.000 0.052 0.000 0.879 178 D CB -0.042 40.782 40.800 0.040 0.000 0.921 178 D HN 0.375 nan 8.370 nan 0.000 0.510 179 A N -0.425 122.431 122.820 0.060 0.000 2.610 179 A HA 0.458 4.781 4.320 0.005 0.000 0.286 179 A C 0.294 177.928 177.584 0.083 0.000 1.306 179 A CA -0.505 51.571 52.037 0.064 0.000 0.942 179 A CB -0.410 18.621 19.000 0.052 0.000 1.112 179 A HN 0.168 nan 8.150 nan 0.000 0.527 180 M N -0.265 119.386 119.600 0.085 0.000 2.602 180 M HA 0.635 5.118 4.480 0.005 0.000 0.312 180 M C -0.893 175.445 176.300 0.064 0.000 1.181 180 M CA -0.480 54.870 55.300 0.084 0.000 0.910 180 M CB 2.511 35.170 32.600 0.099 0.000 1.723 180 M HN 0.251 nan 8.290 nan 0.000 0.459 181 I N 0.691 121.296 120.570 0.059 0.000 2.656 181 I HA 0.541 4.714 4.170 0.005 0.000 0.292 181 I C -1.506 174.650 176.117 0.066 0.000 1.144 181 I CA -0.462 60.867 61.300 0.048 0.000 1.038 181 I CB 1.530 39.543 38.000 0.021 0.000 1.244 181 I HN 0.789 nan 8.210 nan 0.000 0.420 182 c N 5.760 124.391 118.600 0.051 0.000 2.397 182 c HA 1.013 5.586 4.570 0.005 0.000 0.343 182 c C 0.207 174.318 174.090 0.035 0.000 1.188 182 c CA -0.285 56.093 56.329 0.082 0.000 1.992 182 c CB 0.758 43.322 42.510 0.088 0.000 2.358 182 c HN 0.862 nan 8.230 nan 0.000 0.518 183 A N 1.121 123.987 122.820 0.077 0.000 2.604 183 A HA 0.926 5.249 4.320 0.005 0.000 0.295 183 A C -0.120 177.506 177.584 0.070 0.000 1.067 183 A CA 0.445 52.474 52.037 -0.014 0.000 0.683 183 A CB 0.893 19.743 19.000 -0.250 0.000 1.281 183 A HN 2.561 nan 8.150 nan 0.000 0.407 184 G N 0.046 108.860 108.800 0.023 0.000 2.501 184 G HA2 0.504 4.467 3.960 0.005 0.000 0.213 184 G HA3 0.504 4.467 3.960 0.005 0.000 0.213 184 G C 0.844 175.745 174.900 0.002 0.000 1.158 184 G CA 1.558 46.675 45.100 0.028 0.000 1.079 184 G HN 2.671 nan 8.290 nan 0.000 0.586 185 A N -1.896 120.917 122.820 -0.013 0.000 2.826 185 A HA 0.117 4.440 4.320 0.005 0.000 0.274 185 A C 1.565 179.120 177.584 -0.049 0.000 1.443 185 A CA 2.674 54.674 52.037 -0.061 0.000 0.833 185 A CB -2.146 16.798 19.000 -0.094 0.000 1.023 185 A HN 2.633 nan 8.150 nan 0.000 0.600 186 S N -2.496 113.188 115.700 -0.026 0.000 2.749 186 S HA 0.521 4.994 4.470 0.005 0.000 0.246 186 S C 1.598 176.189 174.600 -0.014 0.000 1.023 186 S CA 1.005 59.193 58.200 -0.019 0.000 1.012 186 S CB 0.373 63.567 63.200 -0.010 0.000 0.942 186 S HN 2.444 nan 8.310 nan 0.000 0.531 187 G N 0.406 109.196 108.800 -0.017 0.000 2.192 187 G HA2 -0.163 3.800 3.960 0.005 0.000 0.193 187 G HA3 -0.163 3.800 3.960 0.005 0.000 0.193 187 G C -0.003 174.895 174.900 -0.003 0.000 0.999 187 G CA -0.003 45.091 45.100 -0.010 0.000 0.659 187 G HN 1.600 nan 8.290 nan 0.000 0.503 188 V N -2.565 117.348 119.914 -0.001 0.000 3.141 188 V HA 0.991 5.114 4.120 0.005 0.000 0.312 188 V C -0.256 175.846 176.094 0.013 0.000 1.157 188 V CA -0.168 62.135 62.300 0.005 0.000 1.041 188 V CB 1.865 33.690 31.823 0.003 0.000 1.071 188 V HN 1.556 nan 8.190 nan 0.000 0.441 189 S N 0.695 116.406 115.700 0.019 0.000 2.542 189 S HA 0.620 5.093 4.470 0.005 0.000 0.276 189 S C -0.468 174.148 174.600 0.026 0.000 1.148 189 S CA 0.075 58.291 58.200 0.027 0.000 0.886 189 S CB 1.688 64.901 63.200 0.023 0.000 1.109 189 S HN 2.254 nan 8.310 nan 0.000 0.458 190 S N 2.453 118.165 115.700 0.019 0.000 2.603 190 S HA 0.783 5.256 4.470 0.005 0.000 0.268 190 S C 0.156 174.772 174.600 0.028 0.000 1.317 190 S CA -0.460 57.744 58.200 0.007 0.000 1.012 190 S CB 0.922 64.092 63.200 -0.050 0.000 0.926 190 S HN 1.009 nan 8.310 nan 0.000 0.539 191 c N 1.788 120.419 118.600 0.052 0.000 3.318 191 c HA 0.558 5.131 4.570 0.005 0.000 0.322 191 c C -0.806 173.354 174.090 0.117 0.000 1.398 191 c CA -0.851 55.536 56.329 0.096 0.000 1.339 191 c CB 0.996 43.577 42.510 0.119 0.000 1.668 191 c HN 1.042 nan 8.230 nan 0.000 0.462 192 M N 2.750 122.441 119.600 0.151 0.000 2.408 192 M HA 0.257 4.740 4.480 0.005 0.000 0.444 192 M C 1.294 177.691 176.300 0.162 0.000 1.600 192 M CA 1.974 57.371 55.300 0.161 0.000 0.884 192 M CB -0.858 31.843 32.600 0.168 0.000 2.081 192 M HN 1.199 nan 8.290 nan 0.000 0.510 193 G N 1.989 110.899 108.800 0.184 0.000 2.231 193 G HA2 -0.189 3.774 3.960 0.005 0.000 0.206 193 G HA3 -0.189 3.774 3.960 0.005 0.000 0.206 193 G C 0.716 175.777 174.900 0.268 0.000 0.996 193 G CA 0.063 45.312 45.100 0.248 0.000 0.645 193 G HN 0.603 nan 8.290 nan 0.000 0.498 194 D N 0.970 121.466 120.400 0.161 0.000 2.305 194 D HA 0.181 4.824 4.640 0.005 0.000 0.206 194 D C 1.447 177.798 176.300 0.084 0.000 0.974 194 D CA 0.713 54.779 54.000 0.109 0.000 0.871 194 D CB 0.099 40.928 40.800 0.049 0.000 0.947 194 D HN 0.336 nan 8.370 nan 0.000 0.516 195 S N -0.646 115.116 115.700 0.103 0.000 2.561 195 S HA 0.245 4.718 4.470 0.005 0.000 0.294 195 S C 1.551 176.155 174.600 0.008 0.000 1.294 195 S CA 0.948 59.207 58.200 0.098 0.000 1.055 195 S CB 0.826 64.169 63.200 0.238 0.000 0.819 195 S HN 0.484 nan 8.310 nan 0.000 0.503 196 G N 1.977 110.771 108.800 -0.010 0.000 2.267 196 G HA2 -0.213 3.750 3.960 0.005 0.000 0.257 196 G HA3 -0.213 3.750 3.960 0.005 0.000 0.257 196 G C 0.477 175.396 174.900 0.031 0.000 0.998 196 G CA 0.142 45.227 45.100 -0.025 0.000 0.620 196 G HN 1.140 nan 8.290 nan 0.000 0.529 197 G N 0.833 109.661 108.800 0.048 0.000 2.651 197 G HA2 0.582 4.545 3.960 0.005 0.000 0.260 197 G HA3 0.582 4.545 3.960 0.005 0.000 0.260 197 G C -1.851 173.091 174.900 0.070 0.000 1.216 197 G CA -0.111 45.024 45.100 0.058 0.000 0.913 197 G HN 0.417 nan 8.290 nan 0.000 0.535 198 P HA 0.367 nan 4.420 nan 0.000 0.285 198 P C -1.215 176.072 177.300 -0.020 0.000 1.269 198 P CA -0.603 62.517 63.100 0.034 0.000 0.844 198 P CB 2.102 33.852 31.700 0.082 0.000 1.094 199 L N 3.735 124.919 121.223 -0.065 0.000 2.427 199 L HA 0.391 4.734 4.340 0.005 0.000 0.264 199 L C -0.861 175.903 176.870 -0.177 0.000 0.989 199 L CA -0.830 53.896 54.840 -0.189 0.000 0.865 199 L CB 1.030 42.844 42.059 -0.409 0.000 1.209 199 L HN 0.201 nan 8.230 nan 0.000 0.430 200 V N 1.342 121.189 119.914 -0.111 0.000 2.667 200 V HA 0.873 4.996 4.120 0.005 0.000 0.308 200 V C -0.276 175.938 176.094 0.200 0.000 1.048 200 V CA -0.589 61.728 62.300 0.028 0.000 0.928 200 V CB 1.340 33.268 31.823 0.176 0.000 1.004 200 V HN 0.822 nan 8.190 nan 0.000 0.444 201 c N 2.485 121.171 118.600 0.143 0.000 2.898 201 c HA 0.596 5.169 4.570 0.005 0.000 0.304 201 c C -0.056 174.055 174.090 0.034 0.000 1.237 201 c CA -1.088 55.311 56.329 0.116 0.000 1.529 201 c CB 1.641 44.115 42.510 -0.060 0.000 2.021 201 c HN 1.002 nan 8.230 nan 0.000 0.474 202 K N 1.515 121.805 120.400 -0.183 0.000 2.298 202 K HA 0.307 4.631 4.320 0.005 0.000 0.280 202 K C -0.242 176.325 176.600 -0.055 0.000 1.032 202 K CA 0.143 56.233 56.287 -0.329 0.000 0.958 202 K CB 0.661 32.831 32.500 -0.551 0.000 0.978 202 K HN 0.568 nan 8.250 nan 0.000 0.472 203 K N 3.568 123.948 120.400 -0.034 0.000 2.559 203 K HA 0.093 4.416 4.320 0.005 0.000 0.249 203 K C -0.860 175.712 176.600 -0.047 0.000 0.958 203 K CA -0.393 55.909 56.287 0.024 0.000 0.901 203 K CB 0.474 33.045 32.500 0.119 0.000 1.124 203 K HN 0.580 nan 8.250 nan 0.000 0.437 204 N N 3.148 121.809 118.700 -0.065 0.000 2.740 204 N HA -0.218 4.526 4.740 0.005 0.000 0.248 204 N C 0.564 176.025 175.510 -0.082 0.000 1.062 204 N CA 1.511 54.521 53.050 -0.065 0.000 0.704 204 N CB -1.241 37.217 38.487 -0.048 0.000 0.968 204 N HN 1.114 nan 8.380 nan 0.000 0.547 205 G N -2.102 106.620 108.800 -0.130 0.000 2.225 205 G HA2 -0.172 3.791 3.960 0.005 0.000 0.254 205 G HA3 -0.172 3.791 3.960 0.005 0.000 0.254 205 G C 0.159 174.930 174.900 -0.214 0.000 0.988 205 G CA 0.784 45.783 45.100 -0.169 0.000 0.625 205 G HN 1.244 nan 8.290 nan 0.000 0.527 206 A N -0.260 122.466 122.820 -0.157 0.000 2.292 206 A HA 0.624 4.947 4.320 0.005 0.000 0.319 206 A C -0.074 177.436 177.584 -0.123 0.000 1.206 206 A CA -0.553 51.426 52.037 -0.097 0.000 0.835 206 A CB 0.418 19.412 19.000 -0.010 0.000 1.164 206 A HN 0.596 nan 8.150 nan 0.000 0.505 207 W N 2.116 123.444 121.300 0.048 0.000 2.397 207 W HA 0.345 5.008 4.660 0.006 0.000 0.327 207 W C 0.183 176.586 176.519 -0.194 0.000 1.421 207 W CA 0.758 58.101 57.345 -0.003 0.000 1.288 207 W CB 0.772 30.327 29.460 0.158 0.000 1.312 207 W HN 0.579 nan 8.180 nan 0.000 0.559 208 T N 4.664 119.252 114.554 0.057 0.000 2.841 208 T HA 0.266 4.619 4.350 0.005 0.000 0.283 208 T C -0.809 173.799 174.700 -0.153 0.000 1.000 208 T CA -0.902 61.159 62.100 -0.065 0.000 0.977 208 T CB 1.304 70.191 68.868 0.030 0.000 0.979 208 T HN 0.159 nan 8.240 nan 0.000 0.446 209 L N 4.802 125.911 121.223 -0.191 0.000 2.515 209 L HA 0.195 4.538 4.340 0.005 0.000 0.281 209 L C 0.850 177.595 176.870 -0.208 0.000 1.131 209 L CA 0.568 55.296 54.840 -0.187 0.000 0.905 209 L CB -0.109 41.863 42.059 -0.145 0.000 1.246 209 L HN 0.611 nan 8.230 nan 0.000 0.463 210 V N 4.167 123.897 119.914 -0.306 0.000 3.125 210 V HA 0.394 4.517 4.120 0.005 0.000 0.249 210 V C 1.102 177.064 176.094 -0.219 0.000 1.113 210 V CA 0.862 62.916 62.300 -0.409 0.000 1.106 210 V CB -0.089 31.320 31.823 -0.690 0.000 0.768 210 V HN 0.843 nan 8.190 nan 0.000 0.468 211 G N -0.670 108.029 108.800 -0.168 0.000 2.690 211 G HA2 0.711 4.674 3.960 0.005 0.000 0.291 211 G HA3 0.711 4.674 3.960 0.005 0.000 0.291 211 G C -1.607 173.343 174.900 0.083 0.000 1.403 211 G CA -0.558 44.519 45.100 -0.040 0.000 0.864 211 G HN 0.029 nan 8.290 nan 0.000 0.480 212 I N 1.084 121.772 120.570 0.196 0.000 2.447 212 I HA 0.224 4.397 4.170 0.005 0.000 0.287 212 I C 0.094 176.330 176.117 0.198 0.000 1.023 212 I CA -1.007 60.398 61.300 0.173 0.000 1.083 212 I CB 2.165 40.229 38.000 0.108 0.000 1.245 212 I HN 0.147 nan 8.210 nan 0.000 0.434 213 V N 5.206 125.211 119.914 0.153 0.000 2.583 213 V HA -0.097 4.026 4.120 0.005 0.000 0.302 213 V C 0.905 176.967 176.094 -0.053 0.000 1.033 213 V CA 0.916 63.134 62.300 -0.136 0.000 1.194 213 V CB 0.620 32.411 31.823 -0.054 0.000 0.879 213 V HN 0.989 nan 8.190 nan 0.000 0.482 214 S N 4.872 120.463 115.700 -0.181 0.000 3.393 214 S HA 0.375 4.848 4.470 0.005 0.000 0.209 214 S C -0.051 174.588 174.600 0.065 0.000 0.897 214 S CA 0.083 58.346 58.200 0.104 0.000 0.825 214 S CB 0.568 63.842 63.200 0.124 0.000 0.898 214 S HN 0.892 nan 8.310 nan 0.000 0.615 215 W N -0.104 121.038 121.300 -0.262 0.000 2.961 215 W HA 0.652 5.314 4.660 0.004 0.000 0.368 215 W C -0.139 176.210 176.519 -0.283 0.000 1.213 215 W CA -0.386 56.792 57.345 -0.279 0.000 1.173 215 W CB 0.246 29.515 29.460 -0.319 0.000 1.487 215 W HN 0.637 nan 8.180 nan 0.000 0.585 216 G N 0.259 109.111 108.800 0.087 0.000 2.392 216 G HA2 0.280 4.243 3.960 0.005 0.000 0.260 216 G HA3 0.280 4.243 3.960 0.005 0.000 0.260 216 G C -1.089 174.011 174.900 0.334 0.000 1.226 216 G CA -0.212 44.888 45.100 0.001 0.000 0.913 216 G HN 0.806 nan 8.290 nan 0.000 0.483 217 S N -0.179 115.792 115.700 0.451 0.000 2.573 217 S HA 0.256 4.730 4.470 0.005 0.000 0.297 217 S C 1.605 176.309 174.600 0.174 0.000 1.280 217 S CA 0.822 59.258 58.200 0.393 0.000 1.061 217 S CB 0.539 63.864 63.200 0.207 0.000 0.812 217 S HN 0.933 nan 8.310 nan 0.000 0.500 218 S N 2.782 118.568 115.700 0.143 0.000 2.507 218 S HA -0.037 4.436 4.470 0.005 0.000 0.235 218 S C 1.560 176.016 174.600 -0.240 0.000 0.988 218 S CA 1.133 59.348 58.200 0.025 0.000 0.944 218 S CB -0.200 63.036 63.200 0.059 0.000 0.762 218 S HN 0.976 nan 8.310 nan 0.000 0.526 219 T N -2.868 111.468 114.554 -0.364 0.000 3.132 219 T HA 0.212 4.565 4.350 0.005 0.000 0.274 219 T C 0.556 174.909 174.700 -0.579 0.000 1.011 219 T CA -0.164 61.383 62.100 -0.921 0.000 0.899 219 T CB -0.867 67.687 68.868 -0.524 0.000 1.089 219 T HN 0.220 nan 8.240 nan 0.000 0.543 220 c N 2.045 120.506 118.600 -0.231 0.000 4.235 220 c HA -0.146 4.427 4.570 0.005 0.000 0.301 220 c C 1.055 175.126 174.090 -0.033 0.000 1.409 220 c CA 0.395 56.694 56.329 -0.050 0.000 2.024 220 c CB -3.274 39.264 42.510 0.046 0.000 1.286 220 c HN 0.912 nan 8.230 nan 0.000 0.746 221 S N 0.704 116.378 115.700 -0.043 0.000 2.560 221 S HA 0.344 4.817 4.470 0.005 0.000 0.284 221 S C 1.436 176.019 174.600 -0.028 0.000 1.327 221 S CA 0.650 58.827 58.200 -0.038 0.000 1.055 221 S CB 0.870 64.039 63.200 -0.052 0.000 0.868 221 S HN 0.937 nan 8.310 nan 0.000 0.506 222 T N 0.467 115.003 114.554 -0.030 0.000 3.107 222 T HA 0.085 4.438 4.350 0.005 0.000 0.249 222 T C 1.215 175.881 174.700 -0.056 0.000 1.096 222 T CA 0.493 62.577 62.100 -0.028 0.000 1.012 222 T CB -0.282 68.578 68.868 -0.013 0.000 0.977 222 T HN 0.610 nan 8.240 nan 0.000 0.527 223 S N 0.008 115.651 115.700 -0.095 0.000 2.554 223 S HA 0.267 4.741 4.470 0.005 0.000 0.226 223 S C 0.560 175.005 174.600 -0.259 0.000 0.980 223 S CA -0.476 57.639 58.200 -0.141 0.000 0.939 223 S CB 0.147 63.268 63.200 -0.131 0.000 0.832 223 S HN 0.452 nan 8.310 nan 0.000 0.486 224 T N 2.986 117.384 114.554 -0.260 0.000 2.855 224 T HA 0.585 4.938 4.350 0.005 0.000 0.281 224 T C -3.251 171.364 174.700 -0.141 0.000 1.007 224 T CA -2.301 59.540 62.100 -0.431 0.000 1.009 224 T CB 1.080 69.709 68.868 -0.398 0.000 0.983 224 T HN -0.067 nan 8.240 nan 0.000 0.455 225 P HA 0.294 nan 4.420 nan 0.000 0.267 225 P C -0.178 177.276 177.300 0.257 0.000 1.205 225 P CA -0.103 63.083 63.100 0.144 0.000 0.765 225 P CB 0.425 32.258 31.700 0.222 0.000 0.828 226 G N 2.177 111.055 108.800 0.130 0.000 2.395 226 G HA2 0.483 4.446 3.960 0.005 0.000 0.283 226 G HA3 0.483 4.446 3.960 0.005 0.000 0.283 226 G C -0.839 173.981 174.900 -0.134 0.000 1.178 226 G CA -0.366 44.726 45.100 -0.014 0.000 0.837 226 G HN 0.343 nan 8.290 nan 0.000 0.518 227 V N 1.760 121.303 119.914 -0.619 0.000 2.513 227 V HA 0.539 4.662 4.120 0.005 0.000 0.299 227 V C -0.938 174.752 176.094 -0.674 0.000 1.035 227 V CA -0.669 61.202 62.300 -0.715 0.000 0.889 227 V CB 1.023 31.835 31.823 -1.685 0.000 0.988 227 V HN 0.643 nan 8.190 nan 0.000 0.440 228 Y N 1.173 121.316 120.300 -0.262 0.000 2.570 228 Y HA 0.749 5.303 4.550 0.005 0.000 0.345 228 Y C 0.433 176.303 175.900 -0.049 0.000 1.014 228 Y CA -1.096 56.933 58.100 -0.117 0.000 1.063 228 Y CB 1.731 40.137 38.460 -0.090 0.000 1.272 228 Y HN 0.718 nan 8.280 nan 0.000 0.477 229 A N 1.930 124.845 122.820 0.158 0.000 2.409 229 A HA 0.375 4.698 4.320 0.005 0.000 0.262 229 A C 0.200 177.848 177.584 0.106 0.000 1.113 229 A CA -0.572 51.541 52.037 0.128 0.000 0.790 229 A CB 0.027 19.099 19.000 0.120 0.000 1.046 229 A HN 0.776 nan 8.150 nan 0.000 0.496 230 R N 3.549 124.099 120.500 0.084 0.000 2.325 230 R HA 0.262 4.605 4.340 0.005 0.000 0.323 230 R C 0.393 176.729 176.300 0.061 0.000 1.177 230 R CA -0.313 55.823 56.100 0.061 0.000 1.018 230 R CB 0.068 30.406 30.300 0.064 0.000 1.070 230 R HN 0.575 nan 8.270 nan 0.000 0.495 231 V N 3.120 123.060 119.914 0.043 0.000 2.380 231 V HA -0.301 3.822 4.120 0.005 0.000 0.251 231 V C 2.401 178.540 176.094 0.075 0.000 1.063 231 V CA 2.424 64.757 62.300 0.055 0.000 1.055 231 V CB -0.763 31.071 31.823 0.018 0.000 0.657 231 V HN 0.910 nan 8.190 nan 0.000 0.455 232 T N -0.858 113.745 114.554 0.082 0.000 2.833 232 T HA -0.122 4.231 4.350 0.005 0.000 0.269 232 T C 1.755 176.509 174.700 0.089 0.000 1.054 232 T CA 1.407 63.570 62.100 0.104 0.000 1.135 232 T CB -0.428 68.524 68.868 0.140 0.000 0.869 232 T HN 0.510 nan 8.240 nan 0.000 0.466 233 A N 0.387 123.257 122.820 0.082 0.000 2.208 233 A HA 0.506 4.829 4.320 0.005 0.000 0.209 233 A C 2.001 179.637 177.584 0.087 0.000 1.161 233 A CA 0.345 52.427 52.037 0.076 0.000 0.782 233 A CB -0.448 18.591 19.000 0.065 0.000 0.816 233 A HN 0.581 nan 8.150 nan 0.000 0.477 234 L N -2.174 119.113 121.223 0.106 0.000 2.878 234 L HA 0.151 4.494 4.340 0.005 0.000 0.253 234 L C 1.898 178.904 176.870 0.227 0.000 1.135 234 L CA 0.070 55.003 54.840 0.155 0.000 0.943 234 L CB 0.447 42.579 42.059 0.121 0.000 1.307 234 L HN 0.149 nan 8.230 nan 0.000 0.545 235 V N 0.692 120.695 119.914 0.149 0.000 2.594 235 V HA -0.256 3.867 4.120 0.005 0.000 0.253 235 V C 1.840 177.982 176.094 0.080 0.000 1.069 235 V CA 2.217 64.583 62.300 0.109 0.000 1.082 235 V CB -0.323 31.539 31.823 0.065 0.000 0.680 235 V HN 0.546 nan 8.190 nan 0.000 0.469 236 N N -1.288 117.471 118.700 0.098 0.000 2.166 236 N HA -0.236 4.507 4.740 0.005 0.000 0.186 236 N C 1.593 177.146 175.510 0.071 0.000 1.019 236 N CA 1.585 54.673 53.050 0.063 0.000 0.856 236 N CB -0.298 38.234 38.487 0.074 0.000 0.993 236 N HN 0.760 nan 8.380 nan 0.000 0.426 237 W N 1.817 123.107 121.300 -0.016 0.000 2.388 237 W HA -0.101 4.562 4.660 0.005 0.000 0.294 237 W C 1.743 178.228 176.519 -0.056 0.000 1.212 237 W CA 0.724 58.060 57.345 -0.016 0.000 1.271 237 W CB -0.372 29.098 29.460 0.017 0.000 1.126 237 W HN -0.249 nan 8.180 nan 0.000 0.535 238 V N 1.304 121.166 119.914 -0.087 0.000 2.261 238 V HA -0.340 3.784 4.120 0.005 0.000 0.246 238 V C 2.631 178.438 176.094 -0.478 0.000 1.047 238 V CA 2.192 64.269 62.300 -0.371 0.000 1.015 238 V CB -1.077 30.702 31.823 -0.073 0.000 0.642 238 V HN 0.187 nan 8.190 nan 0.000 0.446 239 Q N -0.122 119.505 119.800 -0.288 0.000 2.061 239 Q HA -0.268 4.075 4.340 0.005 0.000 0.204 239 Q C 2.256 178.058 176.000 -0.331 0.000 0.984 239 Q CA 1.882 57.518 55.803 -0.279 0.000 0.846 239 Q CB -0.493 28.150 28.738 -0.158 0.000 0.902 239 Q HN 0.706 nan 8.270 nan 0.000 0.421 240 Q N -0.290 119.328 119.800 -0.303 0.000 2.084 240 Q HA -0.111 4.232 4.340 0.005 0.000 0.202 240 Q C 2.117 177.877 176.000 -0.400 0.000 0.978 240 Q CA 1.809 57.444 55.803 -0.279 0.000 0.844 240 Q CB -0.099 28.522 28.738 -0.195 0.000 0.898 240 Q HN 0.372 nan 8.270 nan 0.000 0.426 241 T N 1.131 115.297 114.554 -0.645 0.000 2.746 241 T HA -0.104 4.249 4.350 0.005 0.000 0.267 241 T C 1.816 176.044 174.700 -0.788 0.000 1.039 241 T CA 0.882 62.524 62.100 -0.764 0.000 1.142 241 T CB -0.185 67.993 68.868 -1.149 0.000 0.866 241 T HN 0.164 nan 8.240 nan 0.000 0.444 242 L N 0.862 121.551 121.223 -0.889 0.000 1.994 242 L HA -0.094 4.249 4.340 0.005 0.000 0.208 242 L C 3.112 179.706 176.870 -0.461 0.000 1.071 242 L CA 1.376 55.658 54.840 -0.930 0.000 0.745 242 L CB -0.783 40.770 42.059 -0.844 0.000 0.892 242 L HN 0.235 nan 8.230 nan 0.000 0.431 243 A N -0.069 122.546 122.820 -0.341 0.000 1.978 243 A HA -0.167 4.156 4.320 0.005 0.000 0.220 243 A C 2.268 179.769 177.584 -0.138 0.000 1.170 243 A CA 1.855 53.774 52.037 -0.197 0.000 0.636 243 A CB -0.612 18.290 19.000 -0.163 0.000 0.810 243 A HN 0.446 nan 8.150 nan 0.000 0.448 244 A N -1.398 121.325 122.820 -0.161 0.000 2.275 244 A HA 0.269 4.592 4.320 0.005 0.000 0.212 244 A C 0.684 178.254 177.584 -0.023 0.000 1.201 244 A CA -0.036 51.954 52.037 -0.078 0.000 0.843 244 A CB -0.081 18.877 19.000 -0.070 0.000 0.873 244 A HN 0.533 nan 8.150 nan 0.000 0.492 245 N N 0.000 118.680 118.700 -0.034 0.000 1.763 245 N HA 0.000 4.743 4.740 0.005 0.000 0.220 245 N CA 0.000 53.119 53.050 0.115 0.000 0.885 245 N CB 0.000 38.586 38.487 0.165 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667