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 1p2m_1_C 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 0.000 174.163 174.090 0.121 0.000 1.270 1 c CA 0.000 56.409 56.329 0.134 0.000 1.963 1 c CB 0.000 42.558 42.510 0.080 0.000 2.134 2 G N 0.256 109.122 108.800 0.112 0.000 2.175 2 G HA2 -0.102 3.862 3.960 0.005 0.000 0.265 2 G HA3 -0.102 3.862 3.960 0.005 0.000 0.265 2 G C -0.131 175.026 174.900 0.429 0.000 0.979 2 G CA 0.572 45.771 45.100 0.165 0.000 0.663 2 G HN 2.045 nan 8.290 nan 0.000 0.533 3 V N 1.552 121.686 119.914 0.367 0.000 2.289 3 V HA 0.370 4.493 4.120 0.005 0.000 0.272 3 V C -1.737 174.502 176.094 0.241 0.000 1.026 3 V CA -1.553 60.928 62.300 0.302 0.000 0.807 3 V CB 1.409 33.331 31.823 0.166 0.000 1.044 3 V HN 0.139 nan 8.190 nan 0.000 0.443 4 P HA 0.174 nan 4.420 nan 0.000 0.265 4 P C 0.946 178.226 177.300 -0.033 0.000 1.193 4 P CA 0.107 63.202 63.100 -0.008 0.000 0.765 4 P CB 1.135 32.695 31.700 -0.233 0.000 0.823 5 A N 3.974 126.758 122.820 -0.059 0.000 1.930 5 A HA -0.052 4.271 4.320 0.005 0.000 0.217 5 A C 0.990 178.520 177.584 -0.089 0.000 1.175 5 A CA 1.038 53.045 52.037 -0.050 0.000 0.627 5 A CB -0.650 18.322 19.000 -0.047 0.000 0.815 5 A HN 0.565 nan 8.150 nan 0.000 0.443 6 I N 0.679 121.157 120.570 -0.152 0.000 2.306 6 I HA 0.127 4.300 4.170 0.005 0.000 0.288 6 I C 0.182 176.151 176.117 -0.247 0.000 1.036 6 I CA -0.338 60.847 61.300 -0.191 0.000 1.221 6 I CB 1.147 39.007 38.000 -0.234 0.000 1.385 6 I HN 0.347 nan 8.210 nan 0.000 0.472 7 Q N 8.824 128.516 119.800 -0.179 0.000 2.300 7 Q HA 0.154 4.498 4.340 0.005 0.000 0.280 7 Q C -2.099 173.733 176.000 -0.280 0.000 1.033 7 Q CA -1.267 54.431 55.803 -0.175 0.000 0.903 7 Q CB 0.789 29.481 28.738 -0.077 0.000 1.195 7 Q HN 0.326 nan 8.270 nan 0.000 0.386 8 P HA 0.034 nan 4.420 nan 0.000 0.274 8 P C -1.117 176.063 177.300 -0.198 0.000 1.231 8 P CA -0.183 62.590 63.100 -0.544 0.000 0.790 8 P CB 0.927 31.947 31.700 -1.134 0.000 0.951 9 V N 3.919 123.754 119.914 -0.132 0.000 2.350 9 V HA 0.261 4.384 4.120 0.005 0.000 0.285 9 V C 0.723 176.841 176.094 0.040 0.000 1.014 9 V CA -0.486 61.797 62.300 -0.029 0.000 0.831 9 V CB 0.918 32.715 31.823 -0.044 0.000 1.000 9 V HN 0.409 nan 8.190 nan 0.000 0.433 17 V N 5.958 125.881 119.914 0.015 0.000 2.465 17 V HA 0.301 4.424 4.120 0.005 0.000 0.279 17 V C 1.079 177.179 176.094 0.010 0.000 1.045 17 V CA 0.140 62.454 62.300 0.023 0.000 0.938 17 V CB 1.160 33.005 31.823 0.037 0.000 0.986 17 V HN 1.032 nan 8.190 nan 0.000 0.467 18 N N 2.140 120.847 118.700 0.010 0.000 2.741 18 N HA -0.160 4.583 4.740 0.005 0.000 0.251 18 N C 0.652 176.162 175.510 0.000 0.000 1.112 18 N CA 0.359 53.413 53.050 0.007 0.000 0.750 18 N CB -0.525 37.967 38.487 0.008 0.000 1.119 18 N HN 0.923 nan 8.380 nan 0.000 0.561 19 G N -0.028 108.767 108.800 -0.008 0.000 2.630 19 G HA2 0.518 4.481 3.960 0.005 0.000 0.223 19 G HA3 0.518 4.481 3.960 0.005 0.000 0.223 19 G C -0.446 174.449 174.900 -0.007 0.000 1.434 19 G CA 0.159 45.250 45.100 -0.016 0.000 1.057 19 G HN 0.438 nan 8.290 nan 0.000 0.570 20 E N -0.546 119.650 120.200 -0.008 0.000 2.429 20 E HA 0.297 4.650 4.350 0.005 0.000 0.276 20 E C -1.202 175.407 176.600 0.015 0.000 0.953 20 E CA -0.798 55.608 56.400 0.009 0.000 0.787 20 E CB 1.589 31.302 29.700 0.023 0.000 1.307 20 E HN 0.468 nan 8.360 nan 0.000 0.458 21 E N 0.683 120.904 120.200 0.035 0.000 2.376 21 E HA 0.356 4.709 4.350 0.005 0.000 0.266 21 E C -0.559 176.107 176.600 0.111 0.000 1.009 21 E CA -0.163 56.280 56.400 0.073 0.000 0.902 21 E CB 0.708 30.471 29.700 0.105 0.000 0.972 21 E HN 0.551 nan 8.360 nan 0.000 0.439 22 A N 3.667 126.587 122.820 0.166 0.000 2.304 22 A HA 0.277 4.600 4.320 0.005 0.000 0.271 22 A C -0.302 177.316 177.584 0.057 0.000 1.091 22 A CA -0.665 51.471 52.037 0.166 0.000 0.812 22 A CB 0.902 20.070 19.000 0.281 0.000 1.056 22 A HN 0.515 nan 8.150 nan 0.000 0.489 23 V N 2.970 122.814 119.914 -0.117 0.000 2.585 23 V HA 0.122 4.245 4.120 0.005 0.000 0.296 23 V C -2.009 173.824 176.094 -0.436 0.000 1.035 23 V CA -0.724 61.416 62.300 -0.266 0.000 1.084 23 V CB 0.579 32.240 31.823 -0.271 0.000 0.953 23 V HN 0.737 nan 8.190 nan 0.000 0.483 24 P HA 0.126 nan 4.420 nan 0.000 0.261 24 P C 0.920 177.938 177.300 -0.470 0.000 1.183 24 P CA 1.488 63.980 63.100 -1.014 0.000 0.761 24 P CB 0.318 31.335 31.700 -1.139 0.000 0.785 25 G N 3.019 111.645 108.800 -0.291 0.000 2.162 25 G HA2 -0.317 3.646 3.960 0.005 0.000 0.260 25 G HA3 -0.317 3.646 3.960 0.005 0.000 0.260 25 G C 1.065 175.755 174.900 -0.351 0.000 0.976 25 G CA 0.567 45.528 45.100 -0.232 0.000 0.655 25 G HN 0.599 nan 8.290 nan 0.000 0.533 26 S N -1.778 113.628 115.700 -0.490 0.000 2.607 26 S HA 0.191 4.665 4.470 0.005 0.000 0.224 26 S C 0.642 174.522 174.600 -1.199 0.000 0.969 26 S CA 0.592 58.323 58.200 -0.782 0.000 0.927 26 S CB -0.258 62.419 63.200 -0.871 0.000 0.772 26 S HN 0.641 nan 8.310 nan 0.000 0.533 27 W N 2.149 123.081 121.300 -0.614 0.000 1.950 27 W HA 0.413 5.077 4.660 0.006 0.000 0.289 27 W C -2.068 173.848 176.519 -1.005 0.000 0.883 27 W CA -2.129 54.584 57.345 -1.053 0.000 2.031 27 W CB 1.091 30.070 29.460 -0.800 0.000 2.266 27 W HN 0.074 nan 8.180 nan 0.000 0.400 28 P HA -0.219 nan 4.420 nan 0.000 0.222 28 P C 0.823 177.987 177.300 -0.226 0.000 1.142 28 P CA 1.756 64.625 63.100 -0.386 0.000 0.788 28 P CB 0.038 31.566 31.700 -0.287 0.000 0.767 29 W N -0.291 121.010 121.300 0.001 0.000 3.077 29 W HA 0.345 5.008 4.660 0.005 0.000 0.266 29 W C 0.752 177.297 176.519 0.045 0.000 1.300 29 W CA -0.498 56.847 57.345 0.000 0.000 1.586 29 W CB -1.486 27.987 29.460 0.021 0.000 1.103 29 W HN -0.148 nan 8.180 nan 0.000 0.652 30 Q N 3.053 122.832 119.800 -0.035 0.000 2.271 30 Q HA 0.299 4.642 4.340 0.005 0.000 0.273 30 Q C -0.194 175.916 176.000 0.184 0.000 1.051 30 Q CA -0.081 55.767 55.803 0.075 0.000 0.901 30 Q CB 0.855 29.528 28.738 -0.108 0.000 1.174 30 Q HN 0.254 nan 8.270 nan 0.000 0.385 31 V N 0.941 120.995 119.914 0.233 0.000 3.046 31 V HA 0.821 4.944 4.120 0.005 0.000 0.316 31 V C -0.544 175.716 176.094 0.277 0.000 1.104 31 V CA -0.836 61.600 62.300 0.227 0.000 1.006 31 V CB 2.003 33.909 31.823 0.137 0.000 1.058 31 V HN 0.695 nan 8.190 nan 0.000 0.440 32 S N 2.175 117.956 115.700 0.134 0.000 2.449 32 S HA 0.693 5.166 4.470 0.005 0.000 0.310 32 S C -0.698 173.812 174.600 -0.151 0.000 1.096 32 S CA -0.720 57.497 58.200 0.028 0.000 1.095 32 S CB 0.452 63.515 63.200 -0.229 0.000 1.007 32 S HN 0.746 nan 8.310 nan 0.000 0.474 33 L N 5.099 126.085 121.223 -0.395 0.000 2.264 33 L HA 0.508 4.851 4.340 0.005 0.000 0.289 33 L C 0.159 176.581 176.870 -0.748 0.000 1.044 33 L CA -0.412 54.083 54.840 -0.575 0.000 0.807 33 L CB 1.108 42.665 42.059 -0.837 0.000 1.192 33 L HN 0.659 nan 8.230 nan 0.000 0.425 34 Q N 1.383 121.048 119.800 -0.225 0.000 2.433 34 Q HA 0.335 4.678 4.340 0.005 0.000 0.279 34 Q C -1.133 175.072 176.000 0.342 0.000 1.105 34 Q CA -1.072 54.769 55.803 0.064 0.000 0.815 34 Q CB 2.705 31.445 28.738 0.005 0.000 1.403 34 Q HN 0.626 nan 8.270 nan 0.000 0.435 35 D N -0.116 120.519 120.400 0.391 0.000 2.447 35 D HA 0.001 4.645 4.640 0.005 0.000 0.265 35 D C 0.634 177.020 176.300 0.142 0.000 1.250 35 D CA -0.456 53.687 54.000 0.238 0.000 1.046 35 D CB 0.553 41.443 40.800 0.150 0.000 1.095 35 D HN 0.599 nan 8.370 nan 0.000 0.555 36 K N -1.651 118.799 120.400 0.083 0.000 2.360 36 K HA -0.153 4.170 4.320 0.005 0.000 0.201 36 K C 1.335 177.967 176.600 0.053 0.000 1.046 36 K CA 1.612 57.931 56.287 0.054 0.000 0.940 36 K CB -0.718 31.799 32.500 0.028 0.000 0.748 36 K HN 0.530 nan 8.250 nan 0.000 0.465 37 T N -3.774 110.825 114.554 0.074 0.000 3.060 37 T HA 0.282 4.635 4.350 0.005 0.000 0.249 37 T C 1.334 176.085 174.700 0.086 0.000 1.079 37 T CA 0.227 62.369 62.100 0.070 0.000 1.013 37 T CB 0.413 69.324 68.868 0.071 0.000 0.975 37 T HN 0.465 nan 8.240 nan 0.000 0.518 38 G N 0.954 109.816 108.800 0.104 0.000 2.148 38 G HA2 -0.177 3.787 3.960 0.005 0.000 0.203 38 G HA3 -0.177 3.787 3.960 0.005 0.000 0.203 38 G C -0.239 174.720 174.900 0.098 0.000 0.993 38 G CA -0.250 44.891 45.100 0.068 0.000 0.661 38 G HN 0.602 nan 8.290 nan 0.000 0.518 39 F N 2.885 122.866 119.950 0.051 0.000 2.444 39 F HA 0.584 5.113 4.527 0.004 0.000 0.360 39 F C 0.920 176.802 175.800 0.137 0.000 1.106 39 F CA -0.934 57.116 58.000 0.082 0.000 1.170 39 F CB 0.309 39.359 39.000 0.084 0.000 1.113 39 F HN 0.307 nan 8.300 nan 0.000 0.521 40 H N 6.994 125.732 119.070 -0.554 0.000 2.899 40 H HA 0.146 4.705 4.556 0.005 0.000 0.303 40 H C 0.132 175.264 175.328 -0.325 0.000 1.042 40 H CA 0.350 56.135 56.048 -0.438 0.000 1.479 40 H CB 0.302 29.767 29.762 -0.495 0.000 1.493 40 H HN 0.620 nan 8.280 nan 0.000 0.534 41 F N 1.259 120.893 119.950 -0.527 0.000 2.784 41 F HA 0.441 4.971 4.527 0.005 0.000 0.323 41 F C -0.391 175.241 175.800 -0.281 0.000 1.085 41 F CA -0.721 57.156 58.000 -0.204 0.000 1.196 41 F CB -0.046 38.992 39.000 0.063 0.000 1.053 41 F HN 0.436 nan 8.300 nan 0.000 0.578 42 c N 0.272 118.260 118.600 -1.021 0.000 3.306 42 c HA 0.747 5.320 4.570 0.005 0.000 0.335 42 c C 0.504 174.310 174.090 -0.475 0.000 1.382 42 c CA -0.571 55.435 56.329 -0.538 0.000 1.254 42 c CB 1.194 43.489 42.510 -0.359 0.000 1.555 42 c HN 0.687 nan 8.230 nan 0.000 0.463 43 G N -0.212 108.537 108.800 -0.085 0.000 2.601 43 G HA2 0.845 4.808 3.960 0.005 0.000 0.317 43 G HA3 0.845 4.808 3.960 0.005 0.000 0.317 43 G C -0.374 174.541 174.900 0.024 0.000 1.246 43 G CA 0.160 45.312 45.100 0.087 0.000 1.012 43 G HN 1.450 nan 8.290 nan 0.000 0.494 44 G N -1.750 107.105 108.800 0.092 0.000 2.559 44 G HA2 0.536 4.499 3.960 0.005 0.000 0.291 44 G HA3 0.536 4.499 3.960 0.005 0.000 0.291 44 G C -1.438 173.555 174.900 0.156 0.000 1.424 44 G CA -0.299 44.857 45.100 0.093 0.000 0.786 44 G HN 0.875 nan 8.290 nan 0.000 0.485 45 S N -0.420 115.381 115.700 0.169 0.000 2.594 45 S HA 0.513 4.986 4.470 0.005 0.000 0.296 45 S C -0.328 174.400 174.600 0.215 0.000 1.124 45 S CA -0.493 57.846 58.200 0.231 0.000 1.011 45 S CB 1.435 64.741 63.200 0.176 0.000 1.016 45 S HN 0.559 nan 8.310 nan 0.000 0.485 46 L N 3.900 125.280 121.223 0.262 0.000 2.410 46 L HA 0.326 4.669 4.340 0.005 0.000 0.273 46 L C 1.240 178.250 176.870 0.233 0.000 1.152 46 L CA 0.017 55.009 54.840 0.253 0.000 0.855 46 L CB 0.374 42.579 42.059 0.243 0.000 1.129 46 L HN 0.781 nan 8.230 nan 0.000 0.463 47 I N -0.460 120.252 120.570 0.237 0.000 4.070 47 I HA 0.300 4.473 4.170 0.005 0.000 0.328 47 I C 0.097 176.351 176.117 0.229 0.000 1.298 47 I CA -0.191 61.212 61.300 0.172 0.000 1.173 47 I CB 0.241 38.304 38.000 0.104 0.000 1.051 47 I HN 0.737 nan 8.210 nan 0.000 0.409 48 N N 0.069 118.974 118.700 0.342 0.000 3.373 48 N HA 0.022 4.765 4.740 0.005 0.000 0.275 48 N C 0.373 176.113 175.510 0.382 0.000 1.489 48 N CA -0.168 53.090 53.050 0.347 0.000 0.872 48 N CB 0.285 38.881 38.487 0.182 0.000 1.555 48 N HN -0.008 nan 8.380 nan 0.000 0.500 49 E N -0.298 119.925 120.200 0.038 0.000 2.333 49 E HA -0.123 4.230 4.350 0.005 0.000 0.198 49 E C -0.337 176.324 176.600 0.102 0.000 1.007 49 E CA 1.304 57.690 56.400 -0.024 0.000 0.845 49 E CB -0.500 28.978 29.700 -0.371 0.000 0.766 49 E HN 0.603 nan 8.360 nan 0.000 0.507 50 N N -0.805 117.980 118.700 0.142 0.000 2.171 50 N HA 0.081 4.824 4.740 0.005 0.000 0.212 50 N C -0.850 174.556 175.510 -0.174 0.000 1.184 50 N CA 0.059 53.108 53.050 -0.001 0.000 0.888 50 N CB 0.413 38.883 38.487 -0.028 0.000 1.038 50 N HN 0.086 nan 8.380 nan 0.000 0.517 51 W N 0.556 121.896 121.300 0.067 0.000 2.915 51 W HA 0.570 5.233 4.660 0.005 0.000 0.337 51 W C -0.592 175.982 176.519 0.092 0.000 1.102 51 W CA -0.568 56.813 57.345 0.059 0.000 1.224 51 W CB 1.310 30.772 29.460 0.003 0.000 1.416 51 W HN -0.435 nan 8.180 nan 0.000 0.503 52 V N 3.322 123.423 119.914 0.311 0.000 2.656 52 V HA 0.556 4.679 4.120 0.005 0.000 0.307 52 V C -0.910 175.330 176.094 0.244 0.000 1.051 52 V CA -1.188 61.252 62.300 0.235 0.000 0.893 52 V CB 1.854 33.772 31.823 0.160 0.000 0.999 52 V HN 0.338 nan 8.190 nan 0.000 0.426 53 V N 4.530 124.565 119.914 0.200 0.000 2.483 53 V HA 0.847 4.970 4.120 0.005 0.000 0.295 53 V C -0.026 176.152 176.094 0.141 0.000 1.035 53 V CA 0.527 62.941 62.300 0.190 0.000 0.896 53 V CB 1.903 33.824 31.823 0.162 0.000 0.986 53 V HN 1.101 nan 8.190 nan 0.000 0.447 54 T N 4.369 118.999 114.554 0.126 0.000 2.618 54 T HA 0.770 5.123 4.350 0.005 0.000 0.293 54 T C -0.617 174.094 174.700 0.020 0.000 1.093 54 T CA 0.111 62.247 62.100 0.059 0.000 1.061 54 T CB 1.581 70.466 68.868 0.028 0.000 1.498 54 T HN 1.238 nan 8.240 nan 0.000 0.494 55 A N 0.345 123.120 122.820 -0.074 0.000 2.304 55 A HA 0.741 5.064 4.320 0.005 0.000 0.301 55 A C 1.413 178.841 177.584 -0.260 0.000 1.132 55 A CA 0.228 52.169 52.037 -0.160 0.000 0.819 55 A CB 0.365 19.195 19.000 -0.284 0.000 1.094 55 A HN 1.162 nan 8.150 nan 0.000 0.492 56 A N 0.867 123.489 122.820 -0.329 0.000 1.969 56 A HA -0.111 4.212 4.320 0.005 0.000 0.218 56 A C 1.732 179.005 177.584 -0.519 0.000 1.169 56 A CA 1.632 53.369 52.037 -0.501 0.000 0.635 56 A CB -0.940 17.505 19.000 -0.924 0.000 0.810 56 A HN 1.066 nan 8.150 nan 0.000 0.445 57 H N -1.877 116.951 119.070 -0.404 0.000 2.545 57 H HA -0.039 4.520 4.556 0.005 0.000 0.282 57 H C 1.630 176.945 175.328 -0.021 0.000 1.020 57 H CA 1.214 57.170 56.048 -0.153 0.000 1.243 57 H CB -0.794 28.976 29.762 0.013 0.000 1.377 57 H HN 0.403 nan 8.280 nan 0.000 0.581 58 c N 1.091 119.464 118.600 -0.378 0.000 2.437 58 c HA 0.127 4.700 4.570 0.005 0.000 0.283 58 c C 2.006 176.128 174.090 0.054 0.000 1.424 58 c CA 0.879 57.162 56.329 -0.077 0.000 1.782 58 c CB -1.217 41.274 42.510 -0.031 0.000 1.833 58 c HN 0.913 nan 8.230 nan 0.000 0.532 59 G N 1.117 109.904 108.800 -0.020 0.000 2.305 59 G HA2 -0.222 3.742 3.960 0.005 0.000 0.287 59 G HA3 -0.222 3.742 3.960 0.005 0.000 0.287 59 G C 0.065 174.955 174.900 -0.017 0.000 1.036 59 G CA 0.359 45.443 45.100 -0.027 0.000 0.887 59 G HN 0.438 nan 8.290 nan 0.000 0.505 60 V N 0.713 120.674 119.914 0.079 0.000 2.763 60 V HA 0.537 4.660 4.120 0.005 0.000 0.306 60 V C 1.198 177.324 176.094 0.054 0.000 1.059 60 V CA 0.801 63.186 62.300 0.142 0.000 1.138 60 V CB 1.065 33.007 31.823 0.197 0.000 0.940 60 V HN 0.976 nan 8.190 nan 0.000 0.489 61 T N -0.488 114.091 114.554 0.040 0.000 2.888 61 T HA 0.328 4.681 4.350 0.005 0.000 0.288 61 T C 0.943 175.655 174.700 0.020 0.000 1.063 61 T CA 0.094 62.198 62.100 0.007 0.000 1.010 61 T CB 1.597 70.449 68.868 -0.025 0.000 1.214 61 T HN 0.755 nan 8.240 nan 0.000 0.533 62 T N -1.316 113.237 114.554 -0.002 0.000 3.163 62 T HA 0.037 4.390 4.350 0.005 0.000 0.260 62 T C 1.644 176.348 174.700 0.006 0.000 1.156 62 T CA 0.768 62.867 62.100 -0.002 0.000 1.072 62 T CB -0.618 68.237 68.868 -0.021 0.000 0.937 62 T HN 0.455 nan 8.240 nan 0.000 0.528 63 S N 1.062 116.766 115.700 0.007 0.000 2.501 63 S HA 0.102 4.575 4.470 0.005 0.000 0.220 63 S C 0.555 175.178 174.600 0.037 0.000 0.997 63 S CA -0.125 58.081 58.200 0.010 0.000 0.919 63 S CB -0.039 63.157 63.200 -0.007 0.000 0.778 63 S HN 0.593 nan 8.310 nan 0.000 0.523 64 D N 1.445 121.886 120.400 0.068 0.000 2.387 64 D HA 0.424 5.067 4.640 0.005 0.000 0.251 64 D C 0.119 176.480 176.300 0.101 0.000 1.141 64 D CA -0.138 53.946 54.000 0.140 0.000 0.987 64 D CB 1.446 42.414 40.800 0.280 0.000 1.116 64 D HN 0.147 nan 8.370 nan 0.000 0.491 65 V N -2.460 117.515 119.914 0.100 0.000 2.962 65 V HA 0.609 4.732 4.120 0.005 0.000 0.313 65 V C -0.461 175.643 176.094 0.016 0.000 1.099 65 V CA -0.916 61.413 62.300 0.047 0.000 0.971 65 V CB 1.824 33.668 31.823 0.034 0.000 1.028 65 V HN 0.201 nan 8.190 nan 0.000 0.430 66 V N 3.466 123.386 119.914 0.011 0.000 2.370 66 V HA 0.461 4.584 4.120 0.005 0.000 0.279 66 V C -0.059 176.038 176.094 0.005 0.000 1.029 66 V CA -0.356 61.946 62.300 0.003 0.000 0.870 66 V CB 1.515 33.355 31.823 0.028 0.000 0.984 66 V HN 0.764 nan 8.190 nan 0.000 0.451 67 V N 5.240 125.147 119.914 -0.012 0.000 2.328 67 V HA 0.724 4.847 4.120 0.005 0.000 0.278 67 V C 0.465 176.576 176.094 0.027 0.000 1.021 67 V CA -0.351 61.941 62.300 -0.013 0.000 0.838 67 V CB 1.281 33.060 31.823 -0.074 0.000 0.999 67 V HN 0.962 nan 8.190 nan 0.000 0.447 68 A N 3.435 126.284 122.820 0.048 0.000 2.311 68 A HA 0.797 5.120 4.320 0.005 0.000 0.334 68 A C 1.126 178.750 177.584 0.067 0.000 1.139 68 A CA 0.054 52.135 52.037 0.074 0.000 0.830 68 A CB 1.073 20.120 19.000 0.078 0.000 1.234 68 A HN 1.977 nan 8.150 nan 0.000 0.483 69 G N -0.124 108.720 108.800 0.073 0.000 2.160 69 G HA2 -0.211 3.752 3.960 0.005 0.000 0.251 69 G HA3 -0.211 3.752 3.960 0.005 0.000 0.251 69 G C 0.064 175.029 174.900 0.108 0.000 1.008 69 G CA 0.729 45.867 45.100 0.063 0.000 0.724 69 G HN 1.064 nan 8.290 nan 0.000 0.514 70 E N -1.326 118.976 120.200 0.170 0.000 2.242 70 E HA 0.716 5.069 4.350 0.005 0.000 0.275 70 E C 0.596 177.469 176.600 0.455 0.000 1.002 70 E CA -0.952 55.574 56.400 0.210 0.000 0.841 70 E CB 0.605 30.326 29.700 0.035 0.000 1.109 70 E HN 0.254 nan 8.360 nan 0.000 0.394 71 F N 2.256 122.351 119.950 0.243 0.000 2.347 71 F HA 0.275 4.806 4.527 0.006 0.000 0.266 71 F C -0.192 175.810 175.800 0.336 0.000 0.884 71 F CA -0.122 58.044 58.000 0.277 0.000 1.123 71 F CB 0.570 39.630 39.000 0.099 0.000 1.098 71 F HN 0.407 nan 8.300 nan 0.000 0.803 72 D N 1.533 121.882 120.400 -0.085 0.000 2.427 72 D HA 0.182 4.825 4.640 0.005 0.000 0.226 72 D C 0.348 176.563 176.300 -0.141 0.000 1.076 72 D CA 0.029 53.892 54.000 -0.227 0.000 0.849 72 D CB 1.474 42.221 40.800 -0.088 0.000 1.052 72 D HN 0.433 nan 8.370 nan 0.000 0.515 73 Q N 1.804 121.458 119.800 -0.244 0.000 2.488 73 Q HA 0.018 4.361 4.340 0.005 0.000 0.211 73 Q C 1.548 177.432 176.000 -0.194 0.000 0.967 73 Q CA 0.570 56.182 55.803 -0.319 0.000 0.926 73 Q CB 0.453 28.854 28.738 -0.562 0.000 0.992 73 Q HN 0.534 nan 8.270 nan 0.000 0.506 74 G N 0.153 108.870 108.800 -0.138 0.000 2.838 74 G HA2 -0.045 3.918 3.960 0.005 0.000 0.210 74 G HA3 -0.045 3.918 3.960 0.005 0.000 0.210 74 G C 0.373 175.241 174.900 -0.055 0.000 1.153 74 G CA -0.162 44.885 45.100 -0.088 0.000 0.778 74 G HN 0.133 nan 8.290 nan 0.000 0.539 75 S N 0.070 115.741 115.700 -0.047 0.000 2.452 75 S HA 0.402 4.875 4.470 0.005 0.000 0.284 75 S C 1.324 175.913 174.600 -0.019 0.000 1.171 75 S CA -0.028 58.163 58.200 -0.015 0.000 1.064 75 S CB 1.386 64.597 63.200 0.018 0.000 0.967 75 S HN 0.102 nan 8.310 nan 0.000 0.484 76 S N 3.376 119.068 115.700 -0.013 0.000 2.478 76 S HA -0.029 4.444 4.470 0.005 0.000 0.222 76 S C 1.842 176.440 174.600 -0.003 0.000 1.008 76 S CA 1.084 59.276 58.200 -0.013 0.000 0.928 76 S CB -0.259 62.935 63.200 -0.011 0.000 0.781 76 S HN 0.865 nan 8.310 nan 0.000 0.518 77 S N 0.239 115.941 115.700 0.004 0.000 2.501 77 S HA 0.171 4.644 4.470 0.005 0.000 0.220 77 S C 0.555 175.164 174.600 0.015 0.000 0.997 77 S CA -0.223 57.982 58.200 0.009 0.000 0.919 77 S CB -0.418 62.789 63.200 0.011 0.000 0.778 77 S HN 0.624 nan 8.310 nan 0.000 0.523 78 E N 2.059 122.272 120.200 0.021 0.000 2.452 78 E HA 0.022 4.375 4.350 0.005 0.000 0.261 78 E C -0.727 175.888 176.600 0.025 0.000 0.987 78 E CA 0.121 56.542 56.400 0.035 0.000 0.926 78 E CB 0.417 30.149 29.700 0.053 0.000 0.934 78 E HN 0.360 nan 8.360 nan 0.000 0.452 79 K N 5.452 125.869 120.400 0.028 0.000 2.312 79 K HA 0.285 4.608 4.320 0.005 0.000 0.287 79 K C 0.037 176.654 176.600 0.028 0.000 1.062 79 K CA -0.031 56.270 56.287 0.023 0.000 0.934 79 K CB 0.255 32.767 32.500 0.020 0.000 1.027 79 K HN 0.402 nan 8.250 nan 0.000 0.478 80 I N -1.260 119.323 120.570 0.022 0.000 3.279 80 I HA 0.349 4.522 4.170 0.005 0.000 0.315 80 I C -1.284 174.847 176.117 0.023 0.000 1.187 80 I CA -1.337 59.978 61.300 0.024 0.000 0.953 80 I CB 2.168 40.174 38.000 0.010 0.000 1.279 80 I HN 0.373 nan 8.210 nan 0.000 0.465 81 Q N 2.313 122.130 119.800 0.029 0.000 2.341 81 Q HA 0.366 4.710 4.340 0.005 0.000 0.268 81 Q C -1.151 174.865 176.000 0.026 0.000 1.013 81 Q CA -0.712 55.111 55.803 0.033 0.000 0.798 81 Q CB 2.561 31.331 28.738 0.053 0.000 1.253 81 Q HN 0.430 nan 8.270 nan 0.000 0.457 82 K N 4.601 125.012 120.400 0.018 0.000 2.267 82 K HA 0.349 4.672 4.320 0.005 0.000 0.282 82 K C -1.198 175.413 176.600 0.018 0.000 1.078 82 K CA -0.246 56.048 56.287 0.012 0.000 0.903 82 K CB 0.337 32.841 32.500 0.006 0.000 1.111 82 K HN 0.543 nan 8.250 nan 0.000 0.475 83 L N 4.907 126.142 121.223 0.020 0.000 2.296 83 L HA 0.413 4.757 4.340 0.005 0.000 0.286 83 L C 0.001 176.878 176.870 0.012 0.000 1.023 83 L CA -0.930 53.921 54.840 0.020 0.000 0.812 83 L CB 1.598 43.675 42.059 0.031 0.000 1.223 83 L HN 0.482 nan 8.230 nan 0.000 0.421 84 K N 3.202 123.605 120.400 0.005 0.000 2.258 84 K HA 0.459 4.782 4.320 0.005 0.000 0.264 84 K C -0.601 175.993 176.600 -0.011 0.000 1.007 84 K CA -0.257 56.031 56.287 0.001 0.000 0.941 84 K CB 1.170 33.668 32.500 -0.003 0.000 0.966 84 K HN 0.441 nan 8.250 nan 0.000 0.480 85 I N 2.144 122.709 120.570 -0.008 0.000 2.321 85 I HA 0.089 4.262 4.170 0.005 0.000 0.291 85 I C 0.880 176.976 176.117 -0.034 0.000 0.998 85 I CA -0.153 61.134 61.300 -0.022 0.000 1.227 85 I CB 1.720 39.723 38.000 0.005 0.000 1.368 85 I HN 0.783 nan 8.210 nan 0.000 0.466 86 A N 5.518 128.302 122.820 -0.061 0.000 1.903 86 A HA 0.081 4.404 4.320 0.005 0.000 0.213 86 A C 0.921 178.472 177.584 -0.055 0.000 1.185 86 A CA 1.313 53.316 52.037 -0.056 0.000 0.628 86 A CB 0.133 19.091 19.000 -0.070 0.000 0.830 86 A HN 0.593 nan 8.150 nan 0.000 0.446 87 K N -1.648 118.718 120.400 -0.057 0.000 2.546 87 K HA 0.563 4.887 4.320 0.005 0.000 0.264 87 K C -1.915 174.647 176.600 -0.062 0.000 0.937 87 K CA -0.362 55.864 56.287 -0.102 0.000 0.833 87 K CB 2.071 34.495 32.500 -0.127 0.000 1.378 87 K HN -0.040 nan 8.250 nan 0.000 0.432 88 V N 4.236 124.054 119.914 -0.160 0.000 2.417 88 V HA 0.545 4.668 4.120 0.005 0.000 0.291 88 V C -1.024 174.997 176.094 -0.121 0.000 1.024 88 V CA -0.562 61.732 62.300 -0.010 0.000 0.861 88 V CB 0.994 32.822 31.823 0.008 0.000 0.985 88 V HN 0.600 nan 8.190 nan 0.000 0.436 89 F N 3.817 123.893 119.950 0.210 0.000 2.359 89 F HA 0.449 4.979 4.527 0.005 0.000 0.370 89 F C 0.399 176.434 175.800 0.391 0.000 1.077 89 F CA -0.648 57.531 58.000 0.298 0.000 1.136 89 F CB 1.118 40.319 39.000 0.335 0.000 1.387 89 F HN 0.334 nan 8.300 nan 0.000 0.468 90 K N 2.594 123.210 120.400 0.359 0.000 2.276 90 K HA 0.125 4.448 4.320 0.005 0.000 0.283 90 K C 0.321 177.054 176.600 0.222 0.000 1.044 90 K CA -0.565 55.858 56.287 0.226 0.000 0.944 90 K CB 0.558 33.115 32.500 0.094 0.000 1.012 90 K HN 0.426 nan 8.250 nan 0.000 0.472 91 N N 2.424 121.062 118.700 -0.104 0.000 2.411 91 N HA -0.094 4.649 4.740 0.005 0.000 0.265 91 N C 0.718 176.161 175.510 -0.113 0.000 1.266 91 N CA 0.441 53.195 53.050 -0.493 0.000 0.889 91 N CB 0.875 38.714 38.487 -1.080 0.000 1.069 91 N HN 0.730 nan 8.380 nan 0.000 0.476 92 S N 3.624 119.333 115.700 0.015 0.000 2.469 92 S HA -0.101 4.372 4.470 0.005 0.000 0.238 92 S C 1.116 175.725 174.600 0.016 0.000 0.998 92 S CA 0.940 59.178 58.200 0.062 0.000 0.957 92 S CB -0.009 63.256 63.200 0.109 0.000 0.764 92 S HN 0.639 nan 8.310 nan 0.000 0.514 93 K N 0.122 120.491 120.400 -0.053 0.000 2.444 93 K HA 0.138 4.461 4.320 0.005 0.000 0.193 93 K C -0.075 176.508 176.600 -0.028 0.000 1.024 93 K CA -0.329 55.929 56.287 -0.049 0.000 1.077 93 K CB -0.066 32.389 32.500 -0.076 0.000 0.833 93 K HN 0.524 nan 8.250 nan 0.000 0.517 94 Y N 2.832 123.058 120.300 -0.123 0.000 2.721 94 Y HA -0.069 4.484 4.550 0.005 0.000 0.329 94 Y C -0.004 175.863 175.900 -0.055 0.000 1.211 94 Y CA -0.481 57.565 58.100 -0.089 0.000 1.512 94 Y CB 0.107 38.523 38.460 -0.073 0.000 1.249 94 Y HN -0.042 nan 8.280 nan 0.000 0.549 95 N N 3.954 122.260 118.700 -0.657 0.000 2.485 95 N HA 0.033 4.776 4.740 0.005 0.000 0.243 95 N C 0.376 175.324 175.510 -0.936 0.000 0.987 95 N CA 0.373 53.074 53.050 -0.581 0.000 0.940 95 N CB 1.070 39.369 38.487 -0.314 0.000 1.122 95 N HN 0.782 nan 8.380 nan 0.000 0.509 96 S N 3.176 118.424 115.700 -0.754 0.000 2.547 96 S HA -0.014 4.459 4.470 0.005 0.000 0.235 96 S C 1.582 176.002 174.600 -0.301 0.000 0.980 96 S CA 0.385 58.276 58.200 -0.515 0.000 0.941 96 S CB -0.079 63.019 63.200 -0.170 0.000 0.763 96 S HN 0.593 nan 8.310 nan 0.000 0.532 97 L N 1.065 122.114 121.223 -0.291 0.000 2.349 97 L HA 0.114 4.457 4.340 0.005 0.000 0.200 97 L C 2.844 179.562 176.870 -0.253 0.000 1.064 97 L CA 1.208 55.918 54.840 -0.218 0.000 0.821 97 L CB -0.823 41.138 42.059 -0.164 0.000 1.027 97 L HN 0.495 nan 8.230 nan 0.000 0.476 98 T N -3.406 110.990 114.554 -0.264 0.000 3.065 98 T HA 0.128 4.482 4.350 0.005 0.000 0.252 98 T C 1.165 175.685 174.700 -0.301 0.000 1.099 98 T CA -0.070 61.876 62.100 -0.257 0.000 1.063 98 T CB 0.374 69.142 68.868 -0.166 0.000 0.948 98 T HN 0.116 nan 8.240 nan 0.000 0.506 99 I N -0.201 120.184 120.570 -0.310 0.000 5.582 99 I HA -0.180 3.993 4.170 0.005 0.000 0.139 99 I C 0.056 176.197 176.117 0.039 0.000 1.814 99 I CA -0.047 61.158 61.300 -0.158 0.000 2.037 99 I CB -3.282 34.551 38.000 -0.278 0.000 3.362 99 I HN 0.415 nan 8.210 nan 0.000 0.169 100 N N 3.068 121.738 118.700 -0.051 0.000 2.503 100 N HA 0.242 4.985 4.740 0.005 0.000 0.267 100 N C 0.737 176.300 175.510 0.088 0.000 1.214 100 N CA 0.575 53.650 53.050 0.042 0.000 0.959 100 N CB 0.356 38.840 38.487 -0.005 0.000 1.142 100 N HN 0.229 nan 8.380 nan 0.000 0.455 101 N N 0.742 119.504 118.700 0.103 0.000 2.756 101 N HA -0.217 4.527 4.740 0.005 0.000 0.248 101 N C -1.311 174.300 175.510 0.169 0.000 1.062 101 N CA 0.445 53.535 53.050 0.067 0.000 0.696 101 N CB -1.180 37.300 38.487 -0.012 0.000 0.946 101 N HN 0.633 nan 8.380 nan 0.000 0.548 102 D N 1.252 121.784 120.400 0.219 0.000 2.608 102 D HA 0.389 5.032 4.640 0.005 0.000 0.224 102 D C 0.025 176.324 176.300 -0.001 0.000 1.123 102 D CA 0.065 54.168 54.000 0.172 0.000 1.030 102 D CB -0.240 40.740 40.800 0.300 0.000 1.093 102 D HN 0.513 nan 8.370 nan 0.000 0.497 103 I N 0.607 121.112 120.570 -0.107 0.000 2.722 103 I HA 0.396 4.569 4.170 0.005 0.000 0.295 103 I C -1.237 174.830 176.117 -0.083 0.000 1.161 103 I CA -0.317 60.940 61.300 -0.072 0.000 1.032 103 I CB 2.219 40.203 38.000 -0.026 0.000 1.244 103 I HN -0.082 nan 8.210 nan 0.000 0.421 104 T N 6.990 121.606 114.554 0.103 0.000 2.933 104 T HA 0.538 4.891 4.350 0.005 0.000 0.305 104 T C -1.001 173.929 174.700 0.385 0.000 1.092 104 T CA -0.442 61.809 62.100 0.251 0.000 1.008 104 T CB 1.753 70.689 68.868 0.112 0.000 1.102 104 T HN 0.340 nan 8.240 nan 0.000 0.469 105 L N 3.241 124.794 121.223 0.549 0.000 2.317 105 L HA 0.645 4.989 4.340 0.005 0.000 0.281 105 L C -0.856 176.311 176.870 0.495 0.000 1.024 105 L CA -0.935 54.204 54.840 0.499 0.000 0.810 105 L CB 1.320 43.642 42.059 0.439 0.000 1.240 105 L HN 0.383 nan 8.230 nan 0.000 0.427 106 L N 3.747 125.189 121.223 0.363 0.000 2.325 106 L HA 0.485 4.828 4.340 0.005 0.000 0.281 106 L C -0.279 176.542 176.870 -0.081 0.000 1.004 106 L CA -0.550 54.398 54.840 0.181 0.000 0.823 106 L CB 1.678 43.807 42.059 0.118 0.000 1.236 106 L HN 0.499 nan 8.230 nan 0.000 0.415 107 K N 4.555 124.766 120.400 -0.314 0.000 2.253 107 K HA 0.507 4.830 4.320 0.005 0.000 0.277 107 K C -0.682 175.678 176.600 -0.399 0.000 1.053 107 K CA -0.578 55.194 56.287 -0.858 0.000 0.892 107 K CB 0.857 32.793 32.500 -0.941 0.000 1.102 107 K HN 0.544 nan 8.250 nan 0.000 0.469 108 L N 3.228 124.236 121.223 -0.359 0.000 2.426 108 L HA 0.071 4.414 4.340 0.005 0.000 0.271 108 L C 1.386 178.171 176.870 -0.141 0.000 1.169 108 L CA -0.310 54.429 54.840 -0.168 0.000 0.836 108 L CB 1.361 43.361 42.059 -0.097 0.000 1.112 108 L HN 0.786 nan 8.230 nan 0.000 0.465 109 S N 0.155 115.807 115.700 -0.080 0.000 2.387 109 S HA -0.048 4.425 4.470 0.005 0.000 0.226 109 S C 0.634 175.209 174.600 -0.042 0.000 1.026 109 S CA 0.910 59.077 58.200 -0.056 0.000 0.972 109 S CB 0.080 63.260 63.200 -0.033 0.000 0.814 109 S HN 0.760 nan 8.310 nan 0.000 0.477 110 T N 1.761 116.296 114.554 -0.031 0.000 2.861 110 T HA 0.663 5.016 4.350 0.005 0.000 0.287 110 T C -0.305 174.389 174.700 -0.010 0.000 1.003 110 T CA -0.646 61.444 62.100 -0.016 0.000 0.977 110 T CB 1.749 70.616 68.868 -0.002 0.000 0.996 110 T HN 0.261 nan 8.240 nan 0.000 0.448 111 A N 2.288 125.104 122.820 -0.007 0.000 2.483 111 A HA 0.647 4.970 4.320 0.005 0.000 0.238 111 A C 0.748 178.361 177.584 0.047 0.000 1.070 111 A CA -0.418 51.622 52.037 0.005 0.000 0.770 111 A CB -0.167 18.823 19.000 -0.017 0.000 1.008 111 A HN 1.088 nan 8.150 nan 0.000 0.497 112 A N 1.554 124.436 122.820 0.104 0.000 2.371 112 A HA 0.515 4.838 4.320 0.005 0.000 0.257 112 A C 0.681 178.395 177.584 0.217 0.000 1.089 112 A CA 0.297 52.446 52.037 0.187 0.000 0.794 112 A CB 0.209 19.393 19.000 0.308 0.000 1.029 112 A HN 1.359 nan 8.150 nan 0.000 0.488 113 S N 2.114 117.940 115.700 0.210 0.000 2.415 113 S HA 0.502 4.975 4.470 0.005 0.000 0.313 113 S C -0.512 174.288 174.600 0.334 0.000 1.067 113 S CA -0.571 57.749 58.200 0.199 0.000 1.099 113 S CB -0.816 62.454 63.200 0.115 0.000 0.991 113 S HN 0.359 nan 8.310 nan 0.000 0.491 114 F N 3.929 123.908 119.950 0.049 0.000 2.572 114 F HA 0.355 4.886 4.527 0.006 0.000 0.370 114 F C 1.393 177.218 175.800 0.042 0.000 1.103 114 F CA -0.206 57.827 58.000 0.055 0.000 1.286 114 F CB 0.468 39.507 39.000 0.065 0.000 1.105 114 F HN 0.718 nan 8.300 nan 0.000 0.583 115 S N 1.673 117.454 115.700 0.136 0.000 2.755 115 S HA 0.207 4.680 4.470 0.005 0.000 0.286 115 S C 0.572 175.176 174.600 0.007 0.000 1.207 115 S CA -0.669 57.574 58.200 0.072 0.000 0.892 115 S CB 1.357 64.590 63.200 0.055 0.000 1.240 115 S HN 0.555 nan 8.310 nan 0.000 0.525 116 Q N 0.509 120.306 119.800 -0.006 0.000 2.112 116 Q HA -0.161 4.182 4.340 0.005 0.000 0.206 116 Q C 1.588 177.541 176.000 -0.079 0.000 0.987 116 Q CA 2.573 58.353 55.803 -0.039 0.000 0.858 116 Q CB -0.582 28.131 28.738 -0.041 0.000 0.905 116 Q HN 0.929 nan 8.270 nan 0.000 0.420 117 T N -3.436 111.075 114.554 -0.071 0.000 3.069 117 T HA 0.314 4.667 4.350 0.005 0.000 0.252 117 T C -0.001 174.639 174.700 -0.100 0.000 1.053 117 T CA -0.332 61.712 62.100 -0.095 0.000 0.964 117 T CB 0.792 69.624 68.868 -0.059 0.000 1.005 117 T HN -0.016 nan 8.240 nan 0.000 0.532 118 V N 2.476 122.324 119.914 -0.111 0.000 2.488 118 V HA 0.724 4.848 4.120 0.005 0.000 0.293 118 V C -0.516 175.313 176.094 -0.443 0.000 1.027 118 V CA -0.514 61.684 62.300 -0.171 0.000 0.862 118 V CB 1.288 33.078 31.823 -0.055 0.000 1.008 118 V HN 0.694 nan 8.190 nan 0.000 0.428 119 S N 3.280 118.642 115.700 -0.564 0.000 2.672 119 S HA 0.938 5.411 4.470 0.005 0.000 0.271 119 S C -0.514 173.823 174.600 -0.438 0.000 1.171 119 S CA -0.338 57.274 58.200 -0.980 0.000 0.817 119 S CB 1.847 64.836 63.200 -0.352 0.000 1.150 119 S HN 1.315 nan 8.310 nan 0.000 0.478 120 A N 0.190 122.895 122.820 -0.191 0.000 2.279 120 A HA 0.830 5.153 4.320 0.005 0.000 0.303 120 A C -0.079 177.612 177.584 0.178 0.000 1.108 120 A CA -0.740 51.404 52.037 0.179 0.000 0.830 120 A CB 0.998 20.201 19.000 0.339 0.000 1.106 120 A HN 1.427 nan 8.150 nan 0.000 0.493 121 V N 0.686 120.557 119.914 -0.072 0.000 2.837 121 V HA 0.430 4.553 4.120 0.005 0.000 0.310 121 V C 0.119 176.054 176.094 -0.265 0.000 1.059 121 V CA -0.665 61.267 62.300 -0.614 0.000 1.004 121 V CB 1.185 32.297 31.823 -1.184 0.000 1.045 121 V HN 1.043 nan 8.190 nan 0.000 0.465 122 c N 5.446 123.899 118.600 -0.244 0.000 2.534 122 c HA 0.511 5.084 4.570 0.005 0.000 0.385 122 c C 0.168 174.203 174.090 -0.092 0.000 1.264 122 c CA -0.756 55.514 56.329 -0.098 0.000 2.342 122 c CB 0.036 42.519 42.510 -0.046 0.000 2.564 122 c HN 0.737 nan 8.230 nan 0.000 0.603 123 L N 4.341 125.540 121.223 -0.040 0.000 2.325 123 L HA 0.476 4.819 4.340 0.005 0.000 0.278 123 L C -1.707 175.175 176.870 0.020 0.000 1.023 123 L CA -1.210 53.618 54.840 -0.021 0.000 0.811 123 L CB 1.510 43.557 42.059 -0.020 0.000 1.249 123 L HN 0.521 nan 8.230 nan 0.000 0.431 124 P HA 0.236 nan 4.420 nan 0.000 0.282 124 P C -0.893 176.456 177.300 0.082 0.000 1.287 124 P CA -0.515 62.662 63.100 0.129 0.000 0.792 124 P CB 1.144 33.003 31.700 0.264 0.000 1.163 125 S N -0.608 115.136 115.700 0.073 0.000 2.616 125 S HA 0.382 4.855 4.470 0.005 0.000 0.277 125 S C 1.483 176.114 174.600 0.051 0.000 1.234 125 S CA -0.129 58.093 58.200 0.037 0.000 1.028 125 S CB 1.140 64.344 63.200 0.007 0.000 0.988 125 S HN 0.574 nan 8.310 nan 0.000 0.522 126 A N 1.944 124.788 122.820 0.041 0.000 2.024 126 A HA -0.105 4.219 4.320 0.005 0.000 0.220 126 A C 2.059 179.666 177.584 0.038 0.000 1.164 126 A CA 1.875 53.942 52.037 0.049 0.000 0.643 126 A CB -0.756 18.270 19.000 0.042 0.000 0.806 126 A HN 0.845 nan 8.150 nan 0.000 0.451 127 S N -0.601 115.107 115.700 0.014 0.000 2.548 127 S HA 0.062 4.535 4.470 0.005 0.000 0.215 127 S C 0.083 174.658 174.600 -0.042 0.000 0.976 127 S CA -0.273 57.922 58.200 -0.008 0.000 0.908 127 S CB -0.234 62.956 63.200 -0.017 0.000 0.781 127 S HN 0.416 nan 8.310 nan 0.000 0.519 128 D N 2.734 123.103 120.400 -0.051 0.000 2.449 128 D HA 0.252 4.895 4.640 0.005 0.000 0.236 128 D C -0.679 175.479 176.300 -0.236 0.000 1.149 128 D CA 0.771 54.660 54.000 -0.186 0.000 0.878 128 D CB 0.677 41.362 40.800 -0.192 0.000 1.198 128 D HN 0.382 nan 8.370 nan 0.000 0.446 129 D N 0.600 120.747 120.400 -0.422 0.000 2.549 129 D HA 0.250 4.893 4.640 0.005 0.000 0.251 129 D C -1.349 174.665 176.300 -0.477 0.000 1.153 129 D CA -0.552 53.271 54.000 -0.294 0.000 0.861 129 D CB 0.321 41.027 40.800 -0.156 0.000 1.207 129 D HN 0.046 nan 8.370 nan 0.000 0.543 130 F N 2.916 122.858 119.950 -0.014 0.000 2.291 130 F HA 0.530 5.060 4.527 0.006 0.000 0.368 130 F C 1.004 176.795 175.800 -0.015 0.000 1.085 130 F CA -0.967 57.022 58.000 -0.019 0.000 1.165 130 F CB 0.921 39.907 39.000 -0.023 0.000 1.429 130 F HN 0.385 nan 8.300 nan 0.000 0.503 131 A N 2.193 125.057 122.820 0.073 0.000 2.586 131 A HA 0.406 4.729 4.320 0.005 0.000 0.231 131 A C 0.659 178.281 177.584 0.063 0.000 1.055 131 A CA 0.053 52.119 52.037 0.048 0.000 0.756 131 A CB -0.128 18.882 19.000 0.017 0.000 0.988 131 A HN 0.874 nan 8.150 nan 0.000 0.509 132 A N 1.068 123.915 122.820 0.045 0.000 2.462 132 A HA 0.519 4.842 4.320 0.005 0.000 0.243 132 A C 1.677 179.279 177.584 0.030 0.000 1.076 132 A CA 0.787 52.847 52.037 0.038 0.000 0.773 132 A CB -0.473 18.547 19.000 0.033 0.000 1.010 132 A HN 2.793 nan 8.150 nan 0.000 0.493 133 G N 1.298 110.113 108.800 0.025 0.000 2.234 133 G HA2 -0.212 3.751 3.960 0.005 0.000 0.235 133 G HA3 -0.212 3.751 3.960 0.005 0.000 0.235 133 G C 0.511 175.425 174.900 0.024 0.000 0.997 133 G CA 0.370 45.483 45.100 0.020 0.000 0.623 133 G HN 1.240 nan 8.290 nan 0.000 0.514 134 T N 2.792 117.367 114.554 0.035 0.000 2.867 134 T HA 0.427 4.780 4.350 0.005 0.000 0.297 134 T C 0.634 175.353 174.700 0.033 0.000 0.989 134 T CA 1.028 63.154 62.100 0.044 0.000 1.159 134 T CB 0.958 69.876 68.868 0.083 0.000 0.928 134 T HN 0.278 nan 8.240 nan 0.000 0.538 135 T N 4.491 119.068 114.554 0.039 0.000 2.737 135 T HA 0.327 4.680 4.350 0.005 0.000 0.296 135 T C 0.401 175.145 174.700 0.073 0.000 0.922 135 T CA -0.539 61.588 62.100 0.045 0.000 1.079 135 T CB -0.216 68.686 68.868 0.056 0.000 0.892 135 T HN 0.693 nan 8.240 nan 0.000 0.514 136 c N 2.895 121.525 118.600 0.051 0.000 3.017 136 c HA 0.888 5.461 4.570 0.005 0.000 0.380 136 c C -0.020 174.108 174.090 0.065 0.000 1.583 136 c CA -0.663 55.719 56.329 0.088 0.000 1.616 136 c CB 1.542 44.032 42.510 -0.034 0.000 2.145 136 c HN 0.603 nan 8.230 nan 0.000 0.466 137 V N 0.247 120.167 119.914 0.009 0.000 2.841 137 V HA 0.698 4.821 4.120 0.005 0.000 0.310 137 V C -0.352 175.548 176.094 -0.323 0.000 1.090 137 V CA -0.156 62.041 62.300 -0.172 0.000 0.930 137 V CB 1.934 33.579 31.823 -0.296 0.000 1.014 137 V HN 0.964 nan 8.190 nan 0.000 0.425 138 T N 2.301 116.660 114.554 -0.324 0.000 2.887 138 T HA 0.832 5.185 4.350 0.005 0.000 0.288 138 T C -0.472 173.984 174.700 -0.406 0.000 1.021 138 T CA 0.044 61.964 62.100 -0.301 0.000 1.000 138 T CB 1.655 70.452 68.868 -0.119 0.000 1.034 138 T HN 1.098 nan 8.240 nan 0.000 0.467 139 T N 0.103 114.406 114.554 -0.418 0.000 2.883 139 T HA 0.925 5.278 4.350 0.005 0.000 0.296 139 T C -0.030 174.462 174.700 -0.347 0.000 1.117 139 T CA -0.295 61.505 62.100 -0.499 0.000 1.006 139 T CB 1.613 69.982 68.868 -0.831 0.000 1.191 139 T HN 1.249 nan 8.240 nan 0.000 0.508 140 G N -0.628 107.912 108.800 -0.432 0.000 2.321 140 G HA2 0.342 4.305 3.960 0.005 0.000 0.298 140 G HA3 0.342 4.305 3.960 0.005 0.000 0.298 140 G C -1.357 173.293 174.900 -0.416 0.000 1.385 140 G CA -0.824 44.068 45.100 -0.347 0.000 0.856 140 G HN 0.693 nan 8.290 nan 0.000 0.584 141 W N 1.277 122.476 121.300 -0.169 0.000 3.067 141 W HA 0.404 5.066 4.660 0.004 0.000 0.417 141 W C 1.117 177.518 176.519 -0.197 0.000 1.029 141 W CA -0.156 57.023 57.345 -0.276 0.000 1.992 141 W CB 0.861 29.983 29.460 -0.564 0.000 1.122 141 W HN 0.836 nan 8.180 nan 0.000 0.681 142 G N 0.902 109.751 108.800 0.082 0.000 2.684 142 G HA2 0.295 4.258 3.960 0.005 0.000 0.255 142 G HA3 0.295 4.258 3.960 0.005 0.000 0.255 142 G C 0.086 175.024 174.900 0.064 0.000 1.219 142 G CA -0.643 44.515 45.100 0.097 0.000 0.901 142 G HN -0.019 nan 8.290 nan 0.000 0.548 143 L N -0.241 121.032 121.223 0.085 0.000 2.529 143 L HA 0.055 4.398 4.340 0.005 0.000 0.287 143 L C 1.975 178.880 176.870 0.059 0.000 1.241 143 L CA 0.502 55.386 54.840 0.075 0.000 0.857 143 L CB 0.569 42.694 42.059 0.111 0.000 1.113 143 L HN 0.791 nan 8.230 nan 0.000 0.504 144 T N -1.079 113.500 114.554 0.042 0.000 3.040 144 T HA 0.153 4.506 4.350 0.005 0.000 0.250 144 T C 0.398 175.126 174.700 0.047 0.000 1.058 144 T CA -0.384 61.735 62.100 0.031 0.000 0.988 144 T CB 0.026 68.901 68.868 0.013 0.000 0.993 144 T HN 0.732 nan 8.240 nan 0.000 0.519 145 R N -0.692 119.847 120.500 0.066 0.000 2.535 145 R HA 0.556 4.899 4.340 0.005 0.000 0.274 145 R C -1.677 174.692 176.300 0.115 0.000 1.090 145 R CA -1.039 55.109 56.100 0.081 0.000 0.930 145 R CB 0.701 31.029 30.300 0.046 0.000 1.223 145 R HN 0.114 nan 8.270 nan 0.000 0.441 150 N N 0.882 119.591 118.700 0.015 0.000 2.443 150 N HA 0.740 5.483 4.740 0.005 0.000 0.293 150 N C 0.403 175.920 175.510 0.012 0.000 1.159 150 N CA 0.531 53.594 53.050 0.022 0.000 0.904 150 N CB 1.455 39.950 38.487 0.014 0.000 1.214 150 N HN 0.818 nan 8.380 nan 0.000 0.513 151 T N -0.244 114.309 114.554 -0.002 0.000 2.898 151 T HA 0.385 4.738 4.350 0.005 0.000 0.301 151 T C -2.339 172.349 174.700 -0.020 0.000 1.049 151 T CA -1.241 60.852 62.100 -0.012 0.000 1.095 151 T CB 0.835 69.669 68.868 -0.056 0.000 0.976 151 T HN 0.421 nan 8.240 nan 0.000 0.539 152 P HA 0.259 nan 4.420 nan 0.000 0.275 152 P C -0.030 177.275 177.300 0.008 0.000 1.227 152 P CA -0.315 62.783 63.100 -0.003 0.000 0.781 152 P CB 0.838 32.534 31.700 -0.006 0.000 0.906 153 D N 1.652 122.028 120.400 -0.040 0.000 2.117 153 D HA -0.056 4.587 4.640 0.005 0.000 0.198 153 D C 0.755 177.018 176.300 -0.062 0.000 0.982 153 D CA 1.364 55.314 54.000 -0.083 0.000 0.828 153 D CB 0.099 40.838 40.800 -0.101 0.000 0.967 153 D HN 0.407 nan 8.370 nan 0.000 0.464 154 R N 0.508 120.916 120.500 -0.153 0.000 2.349 154 R HA 0.306 4.650 4.340 0.005 0.000 0.299 154 R C -0.230 175.870 176.300 -0.334 0.000 1.027 154 R CA -1.006 54.823 56.100 -0.452 0.000 0.958 154 R CB 1.261 31.200 30.300 -0.600 0.000 1.047 154 R HN -0.018 nan 8.270 nan 0.000 0.468 155 L N 2.821 123.730 121.223 -0.523 0.000 2.578 155 L HA -0.087 4.256 4.340 0.005 0.000 0.279 155 L C -0.325 176.314 176.870 -0.385 0.000 1.227 155 L CA 1.137 55.478 54.840 -0.832 0.000 0.900 155 L CB 0.321 41.983 42.059 -0.662 0.000 1.144 155 L HN 0.472 nan 8.230 nan 0.000 0.496 156 Q N 4.382 123.928 119.800 -0.423 0.000 2.241 156 Q HA 0.522 4.865 4.340 0.005 0.000 0.262 156 Q C -1.028 174.829 176.000 -0.238 0.000 1.014 156 Q CA -0.588 55.085 55.803 -0.217 0.000 0.885 156 Q CB 2.000 30.637 28.738 -0.168 0.000 1.311 156 Q HN 0.780 nan 8.270 nan 0.000 0.461 157 Q N -1.134 118.578 119.800 -0.146 0.000 2.511 157 Q HA 0.898 5.241 4.340 0.005 0.000 0.289 157 Q C -1.785 174.146 176.000 -0.114 0.000 1.021 157 Q CA -1.214 54.472 55.803 -0.194 0.000 0.785 157 Q CB 2.216 30.908 28.738 -0.076 0.000 1.472 157 Q HN 0.552 nan 8.270 nan 0.000 0.411 158 A N 0.930 123.668 122.820 -0.137 0.000 2.540 158 A HA 0.640 4.963 4.320 0.005 0.000 0.297 158 A C -1.222 176.323 177.584 -0.065 0.000 1.056 158 A CA -0.675 51.320 52.037 -0.070 0.000 0.700 158 A CB 2.159 21.124 19.000 -0.057 0.000 1.280 158 A HN 0.560 nan 8.150 nan 0.000 0.398 159 S N 1.206 116.898 115.700 -0.013 0.000 2.525 159 S HA 0.785 5.258 4.470 0.005 0.000 0.278 159 S C -0.228 174.370 174.600 -0.004 0.000 1.234 159 S CA -0.380 57.827 58.200 0.011 0.000 1.058 159 S CB 0.523 63.756 63.200 0.055 0.000 0.983 159 S HN 1.219 nan 8.310 nan 0.000 0.495 160 L N 0.552 121.766 121.223 -0.014 0.000 2.582 160 L HA 0.792 5.135 4.340 0.005 0.000 0.257 160 L C -3.189 173.665 176.870 -0.026 0.000 0.974 160 L CA -2.373 52.454 54.840 -0.022 0.000 0.851 160 L CB 2.376 44.413 42.059 -0.037 0.000 1.424 160 L HN 0.327 nan 8.230 nan 0.000 0.412 161 P HA 0.381 nan 4.420 nan 0.000 0.286 161 P C -0.927 176.355 177.300 -0.030 0.000 1.261 161 P CA -0.488 62.603 63.100 -0.014 0.000 0.821 161 P CB 1.893 33.593 31.700 0.000 0.000 1.013 162 L N 2.561 123.768 121.223 -0.027 0.000 2.397 162 L HA 0.314 4.657 4.340 0.005 0.000 0.271 162 L C 0.663 177.534 176.870 0.002 0.000 1.148 162 L CA -0.506 54.315 54.840 -0.031 0.000 0.825 162 L CB 0.044 42.096 42.059 -0.012 0.000 1.117 162 L HN 0.236 nan 8.230 nan 0.000 0.456 163 L N 1.630 122.860 121.223 0.011 0.000 2.334 163 L HA 0.425 4.769 4.340 0.005 0.000 0.272 163 L C 0.394 177.288 176.870 0.040 0.000 1.020 163 L CA -0.645 54.213 54.840 0.029 0.000 0.812 163 L CB 1.963 44.046 42.059 0.040 0.000 1.264 163 L HN 0.673 nan 8.230 nan 0.000 0.439 164 S N 0.018 115.743 115.700 0.042 0.000 2.592 164 S HA 0.153 4.626 4.470 0.005 0.000 0.271 164 S C 0.750 175.385 174.600 0.059 0.000 1.326 164 S CA -0.745 57.483 58.200 0.047 0.000 1.024 164 S CB 0.923 64.147 63.200 0.040 0.000 0.921 164 S HN 0.603 nan 8.310 nan 0.000 0.527 165 N N 1.949 120.686 118.700 0.061 0.000 2.104 165 N HA -0.111 4.632 4.740 0.005 0.000 0.190 165 N C 1.651 177.209 175.510 0.081 0.000 1.024 165 N CA 1.816 54.911 53.050 0.075 0.000 0.853 165 N CB -1.067 37.461 38.487 0.069 0.000 1.008 165 N HN 0.757 nan 8.380 nan 0.000 0.424 166 T N 1.460 116.052 114.554 0.064 0.000 2.720 166 T HA -0.127 4.226 4.350 0.005 0.000 0.268 166 T C 1.714 176.454 174.700 0.066 0.000 1.037 166 T CA 0.971 63.108 62.100 0.061 0.000 1.144 166 T CB -0.258 68.637 68.868 0.045 0.000 0.864 166 T HN 0.323 nan 8.240 nan 0.000 0.444 167 N N 0.522 119.259 118.700 0.062 0.000 2.188 167 N HA -0.103 4.640 4.740 0.005 0.000 0.184 167 N C 2.231 177.793 175.510 0.088 0.000 1.018 167 N CA 1.035 54.121 53.050 0.061 0.000 0.858 167 N CB -0.644 37.870 38.487 0.047 0.000 0.989 167 N HN 0.378 nan 8.380 nan 0.000 0.426 168 c N 1.432 120.100 118.600 0.112 0.000 2.432 168 c HA 0.041 4.614 4.570 0.005 0.000 0.277 168 c C 2.438 176.669 174.090 0.235 0.000 1.249 168 c CA 0.768 57.206 56.329 0.180 0.000 1.725 168 c CB -0.859 41.761 42.510 0.184 0.000 2.028 168 c HN 0.437 nan 8.230 nan 0.000 0.477 169 K N 0.304 120.816 120.400 0.187 0.000 2.360 169 K HA -0.111 4.212 4.320 0.005 0.000 0.201 169 K C 1.934 178.613 176.600 0.131 0.000 1.046 169 K CA 0.991 57.389 56.287 0.184 0.000 0.945 169 K CB -0.124 32.457 32.500 0.135 0.000 0.750 169 K HN 0.575 nan 8.250 nan 0.000 0.464 170 K N -0.434 120.029 120.400 0.105 0.000 2.280 170 K HA -0.191 4.132 4.320 0.005 0.000 0.202 170 K C 1.538 178.169 176.600 0.052 0.000 1.047 170 K CA 1.306 57.632 56.287 0.065 0.000 0.942 170 K CB -0.013 32.522 32.500 0.058 0.000 0.739 170 K HN 0.243 nan 8.250 nan 0.000 0.457 171 Y N -1.470 118.781 120.300 -0.082 0.000 2.447 171 Y HA 0.008 4.561 4.550 0.004 0.000 0.286 171 Y C 1.151 176.908 175.900 -0.238 0.000 1.153 171 Y CA 0.344 58.294 58.100 -0.250 0.000 1.241 171 Y CB 0.103 38.290 38.460 -0.455 0.000 1.284 171 Y HN -0.024 nan 8.280 nan 0.000 0.520 172 W N 1.486 122.925 121.300 0.232 0.000 3.047 172 W HA 0.286 4.949 4.660 0.004 0.000 0.250 172 W C 1.706 178.291 176.519 0.109 0.000 1.314 172 W CA 0.752 58.214 57.345 0.194 0.000 1.540 172 W CB -0.355 29.290 29.460 0.308 0.000 1.127 172 W HN 0.448 nan 8.180 nan 0.000 0.679 173 G N 1.400 110.346 108.800 0.243 0.000 2.614 173 G HA2 -0.493 3.470 3.960 0.005 0.000 0.303 173 G HA3 -0.493 3.470 3.960 0.005 0.000 0.303 173 G C 0.986 175.992 174.900 0.177 0.000 1.270 173 G CA 1.779 46.974 45.100 0.158 0.000 0.988 173 G HN 0.297 nan 8.290 nan 0.000 0.551 174 T N -0.847 113.783 114.554 0.125 0.000 3.163 174 T HA 0.174 4.527 4.350 0.005 0.000 0.260 174 T C 1.764 176.534 174.700 0.116 0.000 1.156 174 T CA 1.620 63.782 62.100 0.102 0.000 1.072 174 T CB 0.045 68.949 68.868 0.059 0.000 0.937 174 T HN 0.467 nan 8.240 nan 0.000 0.528 175 K N 0.793 121.302 120.400 0.182 0.000 2.366 175 K HA 0.191 4.514 4.320 0.005 0.000 0.198 175 K C 0.640 177.383 176.600 0.239 0.000 1.044 175 K CA 0.093 56.478 56.287 0.164 0.000 0.973 175 K CB -0.049 32.584 32.500 0.222 0.000 0.767 175 K HN 0.426 nan 8.250 nan 0.000 0.475 176 I N 3.017 123.741 120.570 0.257 0.000 2.379 176 I HA 0.040 4.214 4.170 0.005 0.000 0.290 176 I C 0.605 176.810 176.117 0.146 0.000 1.063 176 I CA -0.222 61.210 61.300 0.220 0.000 1.351 176 I CB 0.388 38.504 38.000 0.194 0.000 1.410 176 I HN -0.174 nan 8.210 nan 0.000 0.505 177 K N 4.595 125.076 120.400 0.135 0.000 2.288 177 K HA 0.235 4.559 4.320 0.005 0.000 0.234 177 K C 0.856 177.503 176.600 0.079 0.000 1.037 177 K CA -0.570 55.770 56.287 0.088 0.000 0.914 177 K CB 0.771 33.312 32.500 0.068 0.000 1.197 177 K HN 0.451 nan 8.250 nan 0.000 0.471 178 D N -0.339 120.096 120.400 0.059 0.000 2.263 178 D HA -0.111 4.532 4.640 0.005 0.000 0.208 178 D C 0.752 177.087 176.300 0.059 0.000 0.971 178 D CA 0.966 54.999 54.000 0.055 0.000 0.867 178 D CB -0.087 40.739 40.800 0.043 0.000 0.929 178 D HN 0.385 nan 8.370 nan 0.000 0.492 179 A N -0.437 122.421 122.820 0.063 0.000 2.577 179 A HA 0.444 4.767 4.320 0.005 0.000 0.280 179 A C 0.349 177.983 177.584 0.084 0.000 1.331 179 A CA -0.481 51.597 52.037 0.067 0.000 0.935 179 A CB -0.472 18.561 19.000 0.055 0.000 1.082 179 A HN 0.170 nan 8.150 nan 0.000 0.525 180 M N -0.106 119.545 119.600 0.085 0.000 2.535 180 M HA 0.604 5.087 4.480 0.005 0.000 0.314 180 M C -0.928 175.408 176.300 0.059 0.000 1.153 180 M CA -0.381 54.966 55.300 0.078 0.000 0.924 180 M CB 2.507 35.162 32.600 0.092 0.000 1.710 180 M HN 0.265 nan 8.290 nan 0.000 0.451 181 I N 1.125 121.728 120.570 0.054 0.000 2.619 181 I HA 0.547 4.720 4.170 0.005 0.000 0.292 181 I C -1.351 174.806 176.117 0.066 0.000 1.100 181 I CA -0.472 60.858 61.300 0.050 0.000 1.043 181 I CB 1.447 39.468 38.000 0.034 0.000 1.239 181 I HN 0.785 nan 8.210 nan 0.000 0.420 182 c N 5.761 124.391 118.600 0.050 0.000 2.358 182 c HA 1.015 5.588 4.570 0.005 0.000 0.354 182 c C 0.253 174.373 174.090 0.051 0.000 1.183 182 c CA -0.253 56.123 56.329 0.077 0.000 2.150 182 c CB 0.782 43.330 42.510 0.064 0.000 2.361 182 c HN 0.875 nan 8.230 nan 0.000 0.535 183 A N 0.797 123.674 122.820 0.094 0.000 2.605 183 A HA 0.903 5.226 4.320 0.005 0.000 0.294 183 A C -0.149 177.476 177.584 0.067 0.000 1.062 183 A CA 0.444 52.480 52.037 -0.002 0.000 0.682 183 A CB 0.731 19.593 19.000 -0.230 0.000 1.278 183 A HN 2.610 nan 8.150 nan 0.000 0.410 184 G N -0.064 108.746 108.800 0.016 0.000 2.516 184 G HA2 0.495 4.458 3.960 0.005 0.000 0.220 184 G HA3 0.495 4.458 3.960 0.005 0.000 0.220 184 G C 0.872 175.772 174.900 -0.000 0.000 1.165 184 G CA 1.655 46.767 45.100 0.021 0.000 1.013 184 G HN 2.700 nan 8.290 nan 0.000 0.590 185 A N -1.951 120.859 122.820 -0.017 0.000 2.816 185 A HA 0.087 4.410 4.320 0.005 0.000 0.270 185 A C 1.621 179.183 177.584 -0.036 0.000 1.413 185 A CA 2.734 54.740 52.037 -0.053 0.000 0.866 185 A CB -2.159 16.798 19.000 -0.071 0.000 1.032 185 A HN 2.634 nan 8.150 nan 0.000 0.642 186 S N -2.483 113.205 115.700 -0.020 0.000 2.663 186 S HA 0.516 4.990 4.470 0.005 0.000 0.243 186 S C 1.621 176.215 174.600 -0.010 0.000 1.009 186 S CA 0.994 59.186 58.200 -0.013 0.000 0.988 186 S CB 0.370 63.566 63.200 -0.006 0.000 0.896 186 S HN 2.440 nan 8.310 nan 0.000 0.502 187 G N 0.399 109.191 108.800 -0.013 0.000 2.184 187 G HA2 -0.168 3.795 3.960 0.005 0.000 0.206 187 G HA3 -0.168 3.795 3.960 0.005 0.000 0.206 187 G C 0.005 174.902 174.900 -0.004 0.000 0.995 187 G CA 0.014 45.109 45.100 -0.008 0.000 0.651 187 G HN 1.604 nan 8.290 nan 0.000 0.511 188 V N -2.726 117.186 119.914 -0.004 0.000 3.160 188 V HA 0.989 5.112 4.120 0.005 0.000 0.310 188 V C -0.302 175.794 176.094 0.004 0.000 1.181 188 V CA -0.145 62.155 62.300 -0.000 0.000 1.047 188 V CB 1.854 33.675 31.823 -0.003 0.000 1.068 188 V HN 1.559 nan 8.190 nan 0.000 0.441 189 S N 0.548 116.253 115.700 0.009 0.000 2.542 189 S HA 0.614 5.087 4.470 0.005 0.000 0.276 189 S C -0.514 174.096 174.600 0.017 0.000 1.148 189 S CA -0.247 57.961 58.200 0.014 0.000 0.886 189 S CB 1.909 65.108 63.200 -0.001 0.000 1.109 189 S HN 1.272 nan 8.310 nan 0.000 0.458 190 S N 1.845 117.557 115.700 0.020 0.000 2.600 190 S HA 0.669 5.142 4.470 0.005 0.000 0.265 190 S C -0.125 174.481 174.600 0.010 0.000 1.325 190 S CA -0.342 57.866 58.200 0.012 0.000 1.002 190 S CB 0.982 64.171 63.200 -0.018 0.000 0.921 190 S HN 0.876 nan 8.310 nan 0.000 0.554 191 c N 1.745 120.367 118.600 0.037 0.000 3.314 191 c HA 0.503 5.076 4.570 0.005 0.000 0.344 191 c C -0.304 173.852 174.090 0.109 0.000 1.461 191 c CA -1.042 55.331 56.329 0.072 0.000 1.249 191 c CB 1.170 43.738 42.510 0.097 0.000 1.632 191 c HN 0.998 nan 8.230 nan 0.000 0.452 192 M N 2.351 122.042 119.600 0.152 0.000 2.453 192 M HA 0.263 4.746 4.480 0.005 0.000 0.420 192 M C 1.170 177.576 176.300 0.176 0.000 1.649 192 M CA 2.526 57.932 55.300 0.176 0.000 0.937 192 M CB -0.458 32.265 32.600 0.205 0.000 2.111 192 M HN 1.397 nan 8.290 nan 0.000 0.497 193 G N 3.359 112.279 108.800 0.199 0.000 2.218 193 G HA2 -0.198 3.765 3.960 0.005 0.000 0.216 193 G HA3 -0.198 3.765 3.960 0.005 0.000 0.216 193 G C 0.329 175.399 174.900 0.284 0.000 0.994 193 G CA 0.154 45.410 45.100 0.260 0.000 0.637 193 G HN 0.721 nan 8.290 nan 0.000 0.505 194 D N 0.921 121.428 120.400 0.178 0.000 2.305 194 D HA 0.181 4.825 4.640 0.005 0.000 0.206 194 D C 1.446 177.816 176.300 0.115 0.000 0.974 194 D CA 0.707 54.786 54.000 0.132 0.000 0.871 194 D CB 0.085 40.925 40.800 0.067 0.000 0.947 194 D HN 0.327 nan 8.370 nan 0.000 0.516 195 S N -0.615 115.165 115.700 0.134 0.000 2.571 195 S HA 0.226 4.699 4.470 0.005 0.000 0.298 195 S C 1.545 176.176 174.600 0.051 0.000 1.280 195 S CA 1.020 59.306 58.200 0.144 0.000 1.052 195 S CB 0.729 64.118 63.200 0.315 0.000 0.799 195 S HN 0.499 nan 8.310 nan 0.000 0.501 196 G N 2.190 111.008 108.800 0.030 0.000 2.253 196 G HA2 -0.209 3.754 3.960 0.005 0.000 0.251 196 G HA3 -0.209 3.754 3.960 0.005 0.000 0.251 196 G C 0.483 175.412 174.900 0.049 0.000 0.998 196 G CA 0.144 45.243 45.100 -0.002 0.000 0.621 196 G HN 1.150 nan 8.290 nan 0.000 0.524 197 G N 0.950 109.791 108.800 0.069 0.000 2.651 197 G HA2 0.566 4.529 3.960 0.005 0.000 0.260 197 G HA3 0.566 4.529 3.960 0.005 0.000 0.260 197 G C -1.861 173.085 174.900 0.076 0.000 1.216 197 G CA -0.071 45.073 45.100 0.073 0.000 0.913 197 G HN 0.422 nan 8.290 nan 0.000 0.535 198 P HA 0.351 nan 4.420 nan 0.000 0.284 198 P C -1.181 176.087 177.300 -0.053 0.000 1.258 198 P CA -0.591 62.523 63.100 0.023 0.000 0.824 198 P CB 2.057 33.810 31.700 0.088 0.000 1.038 199 L N 4.102 125.264 121.223 -0.101 0.000 2.388 199 L HA 0.400 4.744 4.340 0.005 0.000 0.267 199 L C -0.830 175.921 176.870 -0.199 0.000 0.995 199 L CA -0.825 53.875 54.840 -0.233 0.000 0.864 199 L CB 1.045 42.840 42.059 -0.440 0.000 1.216 199 L HN 0.208 nan 8.230 nan 0.000 0.430 200 V N 1.429 121.262 119.914 -0.134 0.000 2.715 200 V HA 0.870 4.993 4.120 0.005 0.000 0.310 200 V C -0.276 175.931 176.094 0.188 0.000 1.054 200 V CA -0.599 61.706 62.300 0.007 0.000 0.928 200 V CB 1.343 33.258 31.823 0.152 0.000 1.007 200 V HN 0.820 nan 8.190 nan 0.000 0.437 201 c N 2.407 121.082 118.600 0.125 0.000 2.898 201 c HA 0.609 5.183 4.570 0.005 0.000 0.304 201 c C -0.019 174.072 174.090 0.002 0.000 1.237 201 c CA -1.050 55.335 56.329 0.093 0.000 1.529 201 c CB 1.786 44.239 42.510 -0.096 0.000 2.021 201 c HN 1.003 nan 8.230 nan 0.000 0.474 202 K N 1.383 121.646 120.400 -0.229 0.000 2.270 202 K HA 0.399 4.722 4.320 0.005 0.000 0.276 202 K C -0.365 176.187 176.600 -0.080 0.000 1.023 202 K CA -0.011 56.056 56.287 -0.366 0.000 0.955 202 K CB 0.750 32.898 32.500 -0.587 0.000 0.975 202 K HN 0.591 nan 8.250 nan 0.000 0.471 203 K N 3.036 123.398 120.400 -0.064 0.000 2.668 203 K HA 0.095 4.419 4.320 0.005 0.000 0.246 203 K C -0.854 175.721 176.600 -0.042 0.000 0.976 203 K CA -0.331 55.963 56.287 0.011 0.000 0.902 203 K CB 0.469 33.037 32.500 0.113 0.000 1.172 203 K HN 0.631 nan 8.250 nan 0.000 0.452 204 N N 2.762 121.429 118.700 -0.056 0.000 2.782 204 N HA -0.216 4.527 4.740 0.005 0.000 0.251 204 N C 0.552 176.021 175.510 -0.068 0.000 1.101 204 N CA 1.581 54.599 53.050 -0.054 0.000 0.764 204 N CB -1.063 37.403 38.487 -0.036 0.000 1.122 204 N HN 1.085 nan 8.380 nan 0.000 0.561 205 G N -1.596 107.136 108.800 -0.114 0.000 2.254 205 G HA2 -0.084 3.879 3.960 0.005 0.000 0.225 205 G HA3 -0.084 3.879 3.960 0.005 0.000 0.225 205 G C 0.116 174.904 174.900 -0.187 0.000 1.003 205 G CA 0.626 45.642 45.100 -0.141 0.000 0.622 205 G HN 1.117 nan 8.290 nan 0.000 0.507 206 A N -0.246 122.494 122.820 -0.132 0.000 2.303 206 A HA 0.647 4.971 4.320 0.005 0.000 0.317 206 A C -0.235 177.271 177.584 -0.131 0.000 1.149 206 A CA -0.435 51.555 52.037 -0.078 0.000 0.822 206 A CB 0.452 19.457 19.000 0.008 0.000 1.131 206 A HN 0.595 nan 8.150 nan 0.000 0.493 207 W N 1.219 122.541 121.300 0.036 0.000 2.266 207 W HA 0.448 5.111 4.660 0.006 0.000 0.317 207 W C 0.115 176.513 176.519 -0.202 0.000 1.310 207 W CA 0.507 57.840 57.345 -0.019 0.000 1.207 207 W CB 1.156 30.689 29.460 0.122 0.000 1.199 207 W HN 0.567 nan 8.180 nan 0.000 0.544 208 T N 4.346 118.926 114.554 0.042 0.000 2.841 208 T HA 0.292 4.645 4.350 0.005 0.000 0.283 208 T C -0.929 173.672 174.700 -0.165 0.000 1.000 208 T CA -0.852 61.203 62.100 -0.076 0.000 0.977 208 T CB 1.291 70.169 68.868 0.018 0.000 0.979 208 T HN 0.147 nan 8.240 nan 0.000 0.446 209 L N 4.587 125.692 121.223 -0.196 0.000 2.456 209 L HA 0.229 4.572 4.340 0.005 0.000 0.277 209 L C 0.750 177.493 176.870 -0.211 0.000 1.124 209 L CA 0.590 55.315 54.840 -0.193 0.000 0.880 209 L CB 0.092 42.062 42.059 -0.148 0.000 1.192 209 L HN 0.608 nan 8.230 nan 0.000 0.463 210 V N 4.176 123.910 119.914 -0.299 0.000 3.085 210 V HA 0.450 4.573 4.120 0.005 0.000 0.245 210 V C 0.991 176.965 176.094 -0.200 0.000 1.114 210 V CA 0.761 62.828 62.300 -0.388 0.000 1.108 210 V CB 0.173 31.588 31.823 -0.679 0.000 0.798 210 V HN 0.849 nan 8.190 nan 0.000 0.471 211 G N -0.608 108.096 108.800 -0.160 0.000 2.690 211 G HA2 0.713 4.676 3.960 0.005 0.000 0.291 211 G HA3 0.713 4.676 3.960 0.005 0.000 0.291 211 G C -1.684 173.250 174.900 0.057 0.000 1.403 211 G CA -0.532 44.543 45.100 -0.042 0.000 0.864 211 G HN 0.022 nan 8.290 nan 0.000 0.480 212 I N 0.895 121.568 120.570 0.172 0.000 2.466 212 I HA 0.242 4.415 4.170 0.005 0.000 0.289 212 I C 0.087 176.341 176.117 0.229 0.000 1.026 212 I CA -1.048 60.353 61.300 0.168 0.000 1.078 212 I CB 2.279 40.345 38.000 0.110 0.000 1.249 212 I HN 0.159 nan 8.210 nan 0.000 0.429 213 V N 5.253 125.292 119.914 0.208 0.000 2.539 213 V HA -0.065 4.058 4.120 0.005 0.000 0.300 213 V C 0.824 176.915 176.094 -0.005 0.000 1.019 213 V CA 0.843 63.133 62.300 -0.017 0.000 1.160 213 V CB 0.644 32.483 31.823 0.027 0.000 0.901 213 V HN 0.983 nan 8.190 nan 0.000 0.481 214 S N 4.905 120.501 115.700 -0.173 0.000 3.393 214 S HA 0.390 4.863 4.470 0.005 0.000 0.209 214 S C -0.118 174.487 174.600 0.008 0.000 0.897 214 S CA 0.027 58.268 58.200 0.069 0.000 0.825 214 S CB 0.600 63.852 63.200 0.088 0.000 0.898 214 S HN 0.887 nan 8.310 nan 0.000 0.615 215 W N -0.051 121.062 121.300 -0.313 0.000 2.988 215 W HA 0.644 5.306 4.660 0.004 0.000 0.355 215 W C -0.180 176.128 176.519 -0.351 0.000 1.233 215 W CA -0.401 56.748 57.345 -0.326 0.000 1.176 215 W CB 0.289 29.544 29.460 -0.342 0.000 1.477 215 W HN 0.662 nan 8.180 nan 0.000 0.582 216 G N 0.346 109.164 108.800 0.030 0.000 2.441 216 G HA2 0.266 4.230 3.960 0.005 0.000 0.225 216 G HA3 0.266 4.230 3.960 0.005 0.000 0.225 216 G C -1.052 174.033 174.900 0.309 0.000 1.200 216 G CA -0.182 44.876 45.100 -0.071 0.000 0.947 216 G HN 0.814 nan 8.290 nan 0.000 0.484 217 S N -0.090 115.835 115.700 0.375 0.000 2.563 217 S HA 0.280 4.753 4.470 0.005 0.000 0.294 217 S C 1.410 176.074 174.600 0.106 0.000 1.279 217 S CA 0.814 59.194 58.200 0.300 0.000 1.069 217 S CB 0.584 63.841 63.200 0.095 0.000 0.828 217 S HN 0.854 nan 8.310 nan 0.000 0.497 218 S N 2.854 118.610 115.700 0.093 0.000 2.607 218 S HA 0.021 4.494 4.470 0.005 0.000 0.224 218 S C 1.389 175.772 174.600 -0.363 0.000 0.969 218 S CA 0.802 58.979 58.200 -0.039 0.000 0.927 218 S CB -0.138 63.090 63.200 0.046 0.000 0.772 218 S HN 0.965 nan 8.310 nan 0.000 0.533 219 T N -3.239 111.046 114.554 -0.449 0.000 3.170 219 T HA 0.179 4.532 4.350 0.005 0.000 0.288 219 T C 0.518 174.862 174.700 -0.592 0.000 0.992 219 T CA -0.149 61.390 62.100 -0.935 0.000 0.909 219 T CB -0.888 67.762 68.868 -0.363 0.000 1.133 219 T HN 0.195 nan 8.240 nan 0.000 0.530 220 c N 1.912 120.316 118.600 -0.327 0.000 4.350 220 c HA -0.141 4.432 4.570 0.005 0.000 0.302 220 c C 1.006 175.056 174.090 -0.067 0.000 1.390 220 c CA 0.356 56.611 56.329 -0.124 0.000 2.016 220 c CB -3.285 39.197 42.510 -0.047 0.000 1.271 220 c HN 0.907 nan 8.230 nan 0.000 0.760 221 S N 0.787 116.442 115.700 -0.074 0.000 2.537 221 S HA 0.328 4.801 4.470 0.005 0.000 0.286 221 S C 1.482 176.049 174.600 -0.054 0.000 1.299 221 S CA 0.610 58.776 58.200 -0.058 0.000 1.067 221 S CB 0.825 63.978 63.200 -0.078 0.000 0.864 221 S HN 0.930 nan 8.310 nan 0.000 0.494 222 T N 1.072 115.603 114.554 -0.038 0.000 3.148 222 T HA 0.020 4.373 4.350 0.005 0.000 0.253 222 T C 1.262 175.930 174.700 -0.054 0.000 1.134 222 T CA 0.651 62.731 62.100 -0.033 0.000 1.051 222 T CB -0.328 68.532 68.868 -0.015 0.000 0.959 222 T HN 0.622 nan 8.240 nan 0.000 0.525 223 S N -0.305 115.345 115.700 -0.084 0.000 2.554 223 S HA 0.266 4.739 4.470 0.005 0.000 0.226 223 S C 0.368 174.844 174.600 -0.205 0.000 0.980 223 S CA -0.645 57.490 58.200 -0.109 0.000 0.939 223 S CB 0.020 63.168 63.200 -0.088 0.000 0.832 223 S HN 0.350 nan 8.310 nan 0.000 0.486 224 T N 4.386 118.793 114.554 -0.244 0.000 2.855 224 T HA 0.548 4.901 4.350 0.005 0.000 0.281 224 T C -3.026 171.554 174.700 -0.201 0.000 1.007 224 T CA -1.617 60.219 62.100 -0.439 0.000 1.009 224 T CB 1.583 70.146 68.868 -0.508 0.000 0.983 224 T HN -0.000 nan 8.240 nan 0.000 0.455 225 P HA 0.283 nan 4.420 nan 0.000 0.271 225 P C 0.003 177.401 177.300 0.163 0.000 1.220 225 P CA -0.153 62.991 63.100 0.073 0.000 0.768 225 P CB 0.393 32.190 31.700 0.160 0.000 0.848 226 G N 2.211 111.051 108.800 0.067 0.000 2.420 226 G HA2 0.473 4.436 3.960 0.005 0.000 0.284 226 G HA3 0.473 4.436 3.960 0.005 0.000 0.284 226 G C -0.824 173.930 174.900 -0.244 0.000 1.177 226 G CA -0.366 44.680 45.100 -0.090 0.000 0.841 226 G HN 0.337 nan 8.290 nan 0.000 0.527 227 V N 1.828 121.284 119.914 -0.763 0.000 2.459 227 V HA 0.500 4.623 4.120 0.005 0.000 0.295 227 V C -0.956 174.653 176.094 -0.807 0.000 1.029 227 V CA -0.685 61.096 62.300 -0.865 0.000 0.874 227 V CB 0.828 31.528 31.823 -1.872 0.000 0.985 227 V HN 0.631 nan 8.190 nan 0.000 0.438 228 Y N 1.411 121.536 120.300 -0.291 0.000 2.536 228 Y HA 0.741 5.294 4.550 0.006 0.000 0.347 228 Y C 0.473 176.336 175.900 -0.061 0.000 1.000 228 Y CA -1.043 56.975 58.100 -0.137 0.000 1.051 228 Y CB 1.748 40.145 38.460 -0.104 0.000 1.259 228 Y HN 0.725 nan 8.280 nan 0.000 0.468 229 A N 2.322 125.228 122.820 0.144 0.000 2.450 229 A HA 0.328 4.651 4.320 0.005 0.000 0.255 229 A C 0.236 177.882 177.584 0.104 0.000 1.096 229 A CA -0.514 51.595 52.037 0.121 0.000 0.778 229 A CB 0.001 19.071 19.000 0.115 0.000 1.031 229 A HN 0.788 nan 8.150 nan 0.000 0.494 230 R N 3.483 124.034 120.500 0.085 0.000 2.248 230 R HA 0.272 4.615 4.340 0.005 0.000 0.337 230 R C 0.425 176.766 176.300 0.067 0.000 1.085 230 R CA -0.336 55.804 56.100 0.067 0.000 0.934 230 R CB 0.228 30.570 30.300 0.070 0.000 1.034 230 R HN 0.565 nan 8.270 nan 0.000 0.465 231 V N 3.267 123.210 119.914 0.050 0.000 2.392 231 V HA -0.281 3.842 4.120 0.005 0.000 0.249 231 V C 2.393 178.537 176.094 0.083 0.000 1.059 231 V CA 2.408 64.744 62.300 0.061 0.000 1.051 231 V CB -0.693 31.143 31.823 0.022 0.000 0.658 231 V HN 0.933 nan 8.190 nan 0.000 0.455 232 T N -0.964 113.648 114.554 0.096 0.000 2.881 232 T HA -0.112 4.241 4.350 0.005 0.000 0.270 232 T C 1.730 176.486 174.700 0.093 0.000 1.068 232 T CA 1.405 63.572 62.100 0.113 0.000 1.131 232 T CB -0.380 68.576 68.868 0.147 0.000 0.871 232 T HN 0.496 nan 8.240 nan 0.000 0.479 233 A N 0.461 123.334 122.820 0.087 0.000 2.208 233 A HA 0.516 4.839 4.320 0.005 0.000 0.209 233 A C 1.993 179.630 177.584 0.089 0.000 1.161 233 A CA 0.306 52.390 52.037 0.078 0.000 0.782 233 A CB -0.360 18.680 19.000 0.068 0.000 0.816 233 A HN 0.573 nan 8.150 nan 0.000 0.477 234 L N -1.938 119.351 121.223 0.110 0.000 2.920 234 L HA 0.166 4.509 4.340 0.005 0.000 0.257 234 L C 1.846 178.855 176.870 0.231 0.000 1.150 234 L CA 0.042 54.978 54.840 0.160 0.000 0.959 234 L CB 0.551 42.686 42.059 0.127 0.000 1.321 234 L HN 0.148 nan 8.230 nan 0.000 0.555 235 V N 0.842 120.845 119.914 0.149 0.000 2.594 235 V HA -0.198 3.925 4.120 0.005 0.000 0.253 235 V C 2.083 178.224 176.094 0.079 0.000 1.069 235 V CA 1.867 64.231 62.300 0.108 0.000 1.082 235 V CB -0.198 31.665 31.823 0.067 0.000 0.680 235 V HN 0.518 nan 8.190 nan 0.000 0.469 236 N N -0.724 118.036 118.700 0.099 0.000 2.188 236 N HA -0.192 4.551 4.740 0.005 0.000 0.184 236 N C 1.393 176.949 175.510 0.075 0.000 1.018 236 N CA 1.821 54.909 53.050 0.064 0.000 0.858 236 N CB -0.479 38.051 38.487 0.072 0.000 0.989 236 N HN 0.819 nan 8.380 nan 0.000 0.426 237 W N 1.905 123.194 121.300 -0.019 0.000 2.388 237 W HA -0.080 4.583 4.660 0.006 0.000 0.294 237 W C 1.819 178.302 176.519 -0.061 0.000 1.212 237 W CA 0.777 58.111 57.345 -0.019 0.000 1.271 237 W CB -0.344 29.124 29.460 0.013 0.000 1.126 237 W HN -0.248 nan 8.180 nan 0.000 0.535 238 V N 1.333 121.191 119.914 -0.093 0.000 2.261 238 V HA -0.354 3.769 4.120 0.005 0.000 0.246 238 V C 2.646 178.454 176.094 -0.476 0.000 1.047 238 V CA 2.261 64.334 62.300 -0.378 0.000 1.015 238 V CB -1.118 30.653 31.823 -0.087 0.000 0.642 238 V HN 0.185 nan 8.190 nan 0.000 0.446 239 Q N -0.145 119.484 119.800 -0.286 0.000 2.096 239 Q HA -0.264 4.079 4.340 0.005 0.000 0.204 239 Q C 2.251 178.054 176.000 -0.329 0.000 0.982 239 Q CA 1.861 57.497 55.803 -0.279 0.000 0.850 239 Q CB -0.491 28.152 28.738 -0.158 0.000 0.901 239 Q HN 0.722 nan 8.270 nan 0.000 0.422 240 Q N -0.375 119.242 119.800 -0.305 0.000 2.084 240 Q HA -0.103 4.240 4.340 0.005 0.000 0.202 240 Q C 2.094 177.853 176.000 -0.401 0.000 0.978 240 Q CA 1.692 57.327 55.803 -0.280 0.000 0.844 240 Q CB -0.107 28.516 28.738 -0.192 0.000 0.898 240 Q HN 0.371 nan 8.270 nan 0.000 0.426 241 T N 1.078 115.244 114.554 -0.648 0.000 2.777 241 T HA -0.111 4.242 4.350 0.005 0.000 0.266 241 T C 1.719 175.941 174.700 -0.797 0.000 1.040 241 T CA 0.851 62.489 62.100 -0.770 0.000 1.141 241 T CB -0.127 68.045 68.868 -1.160 0.000 0.868 241 T HN 0.035 nan 8.240 nan 0.000 0.444 242 L N 1.282 121.960 121.223 -0.909 0.000 2.017 242 L HA 0.064 4.407 4.340 0.005 0.000 0.208 242 L C 2.824 179.402 176.870 -0.488 0.000 1.073 242 L CA 1.593 55.850 54.840 -0.970 0.000 0.745 242 L CB -1.190 40.317 42.059 -0.919 0.000 0.894 242 L HN 0.238 nan 8.230 nan 0.000 0.432 243 A N -0.946 121.657 122.820 -0.363 0.000 2.019 243 A HA -0.065 4.258 4.320 0.005 0.000 0.219 243 A C 2.307 179.800 177.584 -0.151 0.000 1.164 243 A CA 1.608 53.518 52.037 -0.211 0.000 0.644 243 A CB -0.693 18.203 19.000 -0.174 0.000 0.805 243 A HN 0.376 nan 8.150 nan 0.000 0.449 244 A N -1.237 121.476 122.820 -0.179 0.000 2.238 244 A HA 0.233 4.556 4.320 0.005 0.000 0.210 244 A C 0.797 178.362 177.584 -0.031 0.000 1.179 244 A CA 0.057 52.039 52.037 -0.091 0.000 0.827 244 A CB -0.016 18.934 19.000 -0.083 0.000 0.856 244 A HN 0.529 nan 8.150 nan 0.000 0.488 245 N N 0.000 118.670 118.700 -0.050 0.000 1.763 245 N HA 0.000 4.743 4.740 0.005 0.000 0.220 245 N CA 0.000 53.115 53.050 0.108 0.000 0.885 245 N CB 0.000 38.588 38.487 0.169 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667