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 1b6s_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKQVCVLGNG QLGRMLRQAG EPLGIAVWPV GLDAEPAAVP FQQSVITAEI DATA SEQUENCE ERWPETALTR ELARHPAFVN RDVFPIIADR LTQKQLFDKL HLPTAPWQLL DATA SEQUENCE AERSEWPAVF DRLGELAIVK RRTGXXXXXG QWRLRANETE QLPAEcYGEc DATA SEQUENCE IVEQGINFSG EVSLVGARGF DGSTVFYPLT HNLHQDGILR TSVAFPQANA DATA SEQUENCE QQQARAEEML SAIMQELGYV GVMAMECFVT PQGLLINELA PRVHNSGHWT DATA SEQUENCE QNGASISQFE LHLRAITDLP LPQPVVNNPS VMINLIGSDV NYDWLKLPLV DATA SEQUENCE HLHWYDKEVR PGRKVGHLNL TDSDTSRLTA TLEALIPLLP PEYASGVIWA DATA SEQUENCE QSKFG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.313 55.300 0.022 0.000 0.988 1 M CB 0.000 32.622 32.600 0.036 0.000 1.302 2 K N 1.806 122.223 120.400 0.028 0.000 2.426 2 K HA 0.582 4.902 4.320 0.001 0.000 0.254 2 K C -1.645 174.988 176.600 0.053 0.000 0.936 2 K CA -0.528 55.777 56.287 0.030 0.000 0.801 2 K CB 2.485 34.996 32.500 0.018 0.000 1.139 2 K HN 0.475 nan 8.250 nan 0.000 0.424 3 Q N 1.617 121.462 119.800 0.076 0.000 2.375 3 Q HA 0.559 4.900 4.340 0.001 0.000 0.271 3 Q C -1.120 174.956 176.000 0.127 0.000 1.074 3 Q CA -1.026 54.866 55.803 0.148 0.000 0.808 3 Q CB 2.942 31.807 28.738 0.211 0.000 1.327 3 Q HN 0.243 nan 8.270 nan 0.000 0.441 4 V N 1.225 121.240 119.914 0.167 0.000 2.686 4 V HA 0.379 4.500 4.120 0.001 0.000 0.306 4 V C -0.911 175.320 176.094 0.228 0.000 1.065 4 V CA -0.695 61.682 62.300 0.127 0.000 0.894 4 V CB 2.078 33.938 31.823 0.062 0.000 1.004 4 V HN 0.884 nan 8.190 nan 0.000 0.424 5 C N 4.633 124.016 119.300 0.138 0.000 2.298 5 C HA 0.699 5.159 4.460 0.001 0.000 0.323 5 C C 0.080 175.052 174.990 -0.030 0.000 1.284 5 C CA -0.532 58.551 59.018 0.108 0.000 1.577 5 C CB 1.143 28.899 27.740 0.028 0.000 2.249 5 C HN 0.658 nan 8.230 nan 0.000 0.497 6 V N 5.821 125.724 119.914 -0.018 0.000 2.357 6 V HA 0.263 4.383 4.120 0.001 0.000 0.284 6 V C -0.023 175.986 176.094 -0.141 0.000 1.018 6 V CA -0.512 61.744 62.300 -0.074 0.000 0.841 6 V CB 1.376 33.196 31.823 -0.005 0.000 0.991 6 V HN 0.661 nan 8.190 nan 0.000 0.437 7 L N 5.973 127.036 121.223 -0.266 0.000 2.565 7 L HA 0.651 4.991 4.340 0.001 0.000 0.275 7 L C 0.566 177.335 176.870 -0.170 0.000 1.137 7 L CA 0.987 55.640 54.840 -0.312 0.000 0.915 7 L CB -0.519 41.210 42.059 -0.550 0.000 1.232 7 L HN 0.967 nan 8.230 nan 0.000 0.473 8 G N 3.893 112.626 108.800 -0.112 0.000 3.014 8 G HA2 -0.175 3.785 3.960 0.001 0.000 0.683 8 G HA3 -0.175 3.785 3.960 0.001 0.000 0.683 8 G C 0.064 174.941 174.900 -0.039 0.000 1.271 8 G CA -0.167 44.900 45.100 -0.054 0.000 0.843 8 G HN 0.710 nan 8.290 nan 0.000 0.612 9 N N -0.119 118.563 118.700 -0.031 0.000 2.336 9 N HA 0.183 4.924 4.740 0.001 0.000 0.189 9 N C 1.649 177.133 175.510 -0.043 0.000 1.113 9 N CA 0.272 53.306 53.050 -0.028 0.000 0.858 9 N CB 0.154 38.631 38.487 -0.018 0.000 0.970 9 N HN 0.874 nan 8.380 nan 0.000 0.471 10 G N 0.703 109.473 108.800 -0.050 0.000 2.684 10 G HA2 -0.128 3.833 3.960 0.001 0.000 0.255 10 G HA3 -0.128 3.833 3.960 0.001 0.000 0.255 10 G C 1.019 175.836 174.900 -0.139 0.000 1.219 10 G CA -0.255 44.797 45.100 -0.081 0.000 0.901 10 G HN 0.278 nan 8.290 nan 0.000 0.548 11 Q N -0.306 119.347 119.800 -0.244 0.000 2.248 11 Q HA -0.162 4.178 4.340 0.001 0.000 0.208 11 Q C 2.167 177.955 176.000 -0.353 0.000 0.984 11 Q CA 1.344 56.878 55.803 -0.449 0.000 0.875 11 Q CB -0.406 27.688 28.738 -1.074 0.000 0.910 11 Q HN 0.602 nan 8.270 nan 0.000 0.433 12 L N 0.432 121.545 121.223 -0.184 0.000 2.056 12 L HA -0.037 4.303 4.340 0.001 0.000 0.207 12 L C 2.632 179.494 176.870 -0.014 0.000 1.078 12 L CA 1.193 56.027 54.840 -0.009 0.000 0.749 12 L CB -1.000 41.105 42.059 0.077 0.000 0.901 12 L HN 0.386 nan 8.230 nan 0.000 0.433 13 G N 0.140 108.914 108.800 -0.044 0.000 2.422 13 G HA2 -0.292 3.669 3.960 0.001 0.000 0.218 13 G HA3 -0.292 3.669 3.960 0.001 0.000 0.218 13 G C 1.735 176.583 174.900 -0.086 0.000 1.146 13 G CA 0.764 45.843 45.100 -0.035 0.000 0.769 13 G HN 0.314 nan 8.290 nan 0.000 0.547 14 R N -0.261 120.157 120.500 -0.136 0.000 2.096 14 R HA 0.071 4.412 4.340 0.001 0.000 0.235 14 R C 2.352 178.520 176.300 -0.220 0.000 1.127 14 R CA 1.441 57.448 56.100 -0.155 0.000 0.968 14 R CB -0.288 29.923 30.300 -0.148 0.000 0.861 14 R HN 0.372 nan 8.270 nan 0.000 0.440 15 M N 0.146 119.528 119.600 -0.362 0.000 2.447 15 M HA -0.003 4.478 4.480 0.001 0.000 0.264 15 M C 1.861 177.821 176.300 -0.566 0.000 1.095 15 M CA 0.814 55.718 55.300 -0.660 0.000 1.125 15 M CB 0.242 32.045 32.600 -1.327 0.000 1.389 15 M HN 0.202 nan 8.290 nan 0.000 0.459 16 L N -0.664 120.423 121.223 -0.228 0.000 2.179 16 L HA -0.094 4.247 4.340 0.001 0.000 0.208 16 L C 2.630 179.472 176.870 -0.048 0.000 1.096 16 L CA 0.844 55.690 54.840 0.010 0.000 0.779 16 L CB -0.382 41.765 42.059 0.146 0.000 0.922 16 L HN 0.258 nan 8.230 nan 0.000 0.443 17 R N 0.090 120.530 120.500 -0.100 0.000 2.073 17 R HA -0.209 4.132 4.340 0.001 0.000 0.234 17 R C 2.253 178.482 176.300 -0.118 0.000 1.134 17 R CA 1.750 57.778 56.100 -0.120 0.000 0.952 17 R CB -0.112 30.106 30.300 -0.138 0.000 0.850 17 R HN 0.405 nan 8.270 nan 0.000 0.433 18 Q N -0.668 119.054 119.800 -0.130 0.000 2.170 18 Q HA -0.115 4.226 4.340 0.001 0.000 0.203 18 Q C 1.923 177.875 176.000 -0.080 0.000 0.976 18 Q CA 1.577 57.316 55.803 -0.106 0.000 0.858 18 Q CB -0.020 28.648 28.738 -0.118 0.000 0.907 18 Q HN 0.425 nan 8.270 nan 0.000 0.433 19 A N 0.207 122.980 122.820 -0.078 0.000 2.119 19 A HA 0.064 4.384 4.320 0.001 0.000 0.216 19 A C 2.028 179.613 177.584 0.001 0.000 1.152 19 A CA 1.103 53.131 52.037 -0.015 0.000 0.708 19 A CB -0.253 18.775 19.000 0.047 0.000 0.805 19 A HN 0.430 nan 8.150 nan 0.000 0.460 20 G N -1.010 107.778 108.800 -0.020 0.000 2.744 20 G HA2 0.016 3.976 3.960 0.001 0.000 0.211 20 G HA3 0.016 3.976 3.960 0.001 0.000 0.211 20 G C 1.220 176.095 174.900 -0.041 0.000 1.146 20 G CA 0.664 45.752 45.100 -0.020 0.000 0.787 20 G HN 0.568 nan 8.290 nan 0.000 0.534 21 E N 1.080 121.245 120.200 -0.059 0.000 2.033 21 E HA -0.130 4.220 4.350 0.001 0.000 0.199 21 E C -0.262 176.314 176.600 -0.040 0.000 1.011 21 E CA 1.304 57.665 56.400 -0.065 0.000 0.815 21 E CB -0.260 29.395 29.700 -0.075 0.000 0.755 21 E HN 0.275 nan 8.360 nan 0.000 0.451 22 P HA -0.110 nan 4.420 nan 0.000 0.231 22 P C 0.849 178.145 177.300 -0.008 0.000 1.158 22 P CA 0.747 63.838 63.100 -0.013 0.000 0.763 22 P CB 0.082 31.780 31.700 -0.004 0.000 0.805 23 L N -1.745 119.472 121.223 -0.009 0.000 2.554 23 L HA 0.381 4.722 4.340 0.001 0.000 0.225 23 L C 1.501 178.367 176.870 -0.007 0.000 1.104 23 L CA 0.940 55.778 54.840 -0.003 0.000 0.866 23 L CB -0.972 41.089 42.059 0.003 0.000 1.047 23 L HN 0.143 nan 8.230 nan 0.000 0.468 24 G N 0.330 109.120 108.800 -0.017 0.000 2.149 24 G HA2 -0.254 3.706 3.960 0.001 0.000 0.235 24 G HA3 -0.254 3.706 3.960 0.001 0.000 0.235 24 G C 0.217 175.105 174.900 -0.020 0.000 1.018 24 G CA 0.188 45.278 45.100 -0.018 0.000 0.728 24 G HN 0.257 nan 8.290 nan 0.000 0.508 25 I N 1.048 121.601 120.570 -0.029 0.000 2.354 25 I HA 0.607 4.778 4.170 0.001 0.000 0.292 25 I C 0.705 176.777 176.117 -0.075 0.000 0.989 25 I CA -0.661 60.621 61.300 -0.030 0.000 1.188 25 I CB 1.858 39.848 38.000 -0.015 0.000 1.342 25 I HN 0.270 nan 8.210 nan 0.000 0.457 26 A N 6.934 129.707 122.820 -0.078 0.000 2.289 26 A HA 0.683 5.004 4.320 0.001 0.000 0.298 26 A C -0.474 176.943 177.584 -0.278 0.000 1.208 26 A CA -0.352 51.554 52.037 -0.218 0.000 0.845 26 A CB 0.563 19.487 19.000 -0.127 0.000 1.125 26 A HN 0.480 nan 8.150 nan 0.000 0.517 27 V N 2.557 122.197 119.914 -0.456 0.000 2.487 27 V HA 0.403 4.524 4.120 0.001 0.000 0.298 27 V C -1.317 174.478 176.094 -0.498 0.000 1.028 27 V CA -0.345 61.766 62.300 -0.315 0.000 0.860 27 V CB 1.199 32.929 31.823 -0.155 0.000 0.991 27 V HN 0.915 nan 8.190 nan 0.000 0.427 28 W N 6.426 127.707 121.300 -0.032 0.000 2.363 28 W HA 0.537 5.198 4.660 0.001 0.000 0.314 28 W C -2.577 173.912 176.519 -0.051 0.000 0.994 28 W CA -2.631 54.692 57.345 -0.036 0.000 1.449 28 W CB 0.731 30.171 29.460 -0.033 0.000 1.248 28 W HN 0.291 nan 8.180 nan 0.000 0.409 29 P HA 0.108 nan 4.420 nan 0.000 0.276 29 P C -0.661 176.668 177.300 0.048 0.000 1.235 29 P CA -0.002 63.124 63.100 0.042 0.000 0.772 29 P CB 1.765 33.462 31.700 -0.004 0.000 0.871 30 V N 4.182 124.093 119.914 -0.004 0.000 2.487 30 V HA 0.661 4.782 4.120 0.001 0.000 0.298 30 V C 0.389 176.453 176.094 -0.050 0.000 1.028 30 V CA -0.511 61.775 62.300 -0.023 0.000 0.860 30 V CB 1.444 33.241 31.823 -0.043 0.000 0.991 30 V HN 0.697 nan 8.190 nan 0.000 0.427 31 G N 5.020 113.803 108.800 -0.028 0.000 2.544 31 G HA2 0.317 4.277 3.960 0.001 0.000 0.242 31 G HA3 0.317 4.277 3.960 0.001 0.000 0.242 31 G C 0.750 175.624 174.900 -0.043 0.000 1.247 31 G CA -0.502 44.582 45.100 -0.027 0.000 0.840 31 G HN 0.865 nan 8.290 nan 0.000 0.578 32 L N 0.688 121.893 121.223 -0.032 0.000 2.201 32 L HA -0.029 4.312 4.340 0.001 0.000 0.212 32 L C 2.352 179.206 176.870 -0.027 0.000 1.105 32 L CA 1.060 55.880 54.840 -0.032 0.000 0.775 32 L CB -0.441 41.620 42.059 0.004 0.000 0.913 32 L HN 0.617 nan 8.230 nan 0.000 0.440 33 D N 1.639 122.029 120.400 -0.016 0.000 2.097 33 D HA -0.113 4.527 4.640 0.001 0.000 0.197 33 D C 1.255 177.543 176.300 -0.019 0.000 0.984 33 D CA 0.800 54.794 54.000 -0.010 0.000 0.826 33 D CB -0.565 40.233 40.800 -0.003 0.000 0.973 33 D HN 0.200 nan 8.370 nan 0.000 0.460 34 A N 1.094 123.900 122.820 -0.024 0.000 2.630 34 A HA -0.186 4.135 4.320 0.001 0.000 0.231 34 A C 0.355 177.918 177.584 -0.035 0.000 1.023 34 A CA 0.481 52.501 52.037 -0.027 0.000 0.773 34 A CB -0.459 18.520 19.000 -0.036 0.000 0.923 34 A HN 0.282 nan 8.150 nan 0.000 0.497 35 E N 2.941 123.127 120.200 -0.022 0.000 2.290 35 E HA 0.171 4.521 4.350 0.001 0.000 0.277 35 E C -1.400 175.192 176.600 -0.014 0.000 1.035 35 E CA -1.760 54.630 56.400 -0.016 0.000 0.873 35 E CB 0.712 30.408 29.700 -0.006 0.000 1.029 35 E HN 0.461 nan 8.360 nan 0.000 0.419 36 P HA -0.134 nan 4.420 nan 0.000 0.220 36 P C 0.662 178.061 177.300 0.164 0.000 1.148 36 P CA 0.804 63.918 63.100 0.022 0.000 0.803 36 P CB 0.220 31.910 31.700 -0.017 0.000 0.782 37 A N 0.067 122.934 122.820 0.078 0.000 2.066 37 A HA 0.173 4.494 4.320 0.001 0.000 0.218 37 A C 2.082 179.661 177.584 -0.008 0.000 1.157 37 A CA 1.355 53.417 52.037 0.042 0.000 0.670 37 A CB -1.087 17.925 19.000 0.019 0.000 0.804 37 A HN 0.219 nan 8.150 nan 0.000 0.453 38 A N -0.629 122.183 122.820 -0.013 0.000 2.415 38 A HA 0.524 4.845 4.320 0.001 0.000 0.248 38 A C 0.042 177.570 177.584 -0.094 0.000 1.299 38 A CA 0.061 52.069 52.037 -0.049 0.000 0.899 38 A CB -0.073 18.911 19.000 -0.026 0.000 0.997 38 A HN 0.289 nan 8.150 nan 0.000 0.506 39 V N 0.560 120.430 119.914 -0.073 0.000 2.525 39 V HA 0.290 4.410 4.120 0.001 0.000 0.299 39 V C -2.192 173.786 176.094 -0.193 0.000 1.034 39 V CA -1.389 60.832 62.300 -0.132 0.000 0.863 39 V CB 1.871 33.688 31.823 -0.009 0.000 0.999 39 V HN 0.175 nan 8.190 nan 0.000 0.423 40 P HA -0.113 nan 4.420 nan 0.000 0.261 40 P C 1.442 178.502 177.300 -0.401 0.000 1.288 40 P CA 0.384 63.148 63.100 -0.560 0.000 0.751 40 P CB -0.401 30.732 31.700 -0.945 0.000 1.103 41 F N 0.768 120.523 119.950 -0.325 0.000 2.184 41 F HA -0.233 4.295 4.527 0.001 0.000 0.301 41 F C 1.598 177.196 175.800 -0.337 0.000 1.076 41 F CA 1.379 59.206 58.000 -0.290 0.000 1.295 41 F CB -1.518 37.328 39.000 -0.255 0.000 1.026 41 F HN -0.071 nan 8.300 nan 0.000 0.494 42 Q N -0.050 119.023 119.800 -1.211 0.000 2.436 42 Q HA -0.055 4.286 4.340 0.001 0.000 0.209 42 Q C 1.735 177.482 176.000 -0.422 0.000 0.965 42 Q CA 1.069 56.367 55.803 -0.842 0.000 0.910 42 Q CB -0.164 28.165 28.738 -0.682 0.000 0.980 42 Q HN 0.658 nan 8.270 nan 0.000 0.491 43 Q N -0.604 118.993 119.800 -0.338 0.000 2.217 43 Q HA 0.145 4.486 4.340 0.001 0.000 0.217 43 Q C -0.524 175.406 176.000 -0.117 0.000 0.844 43 Q CA -0.185 55.505 55.803 -0.187 0.000 0.957 43 Q CB 1.039 29.680 28.738 -0.161 0.000 1.127 43 Q HN 0.206 nan 8.270 nan 0.000 0.503 44 S N -1.561 114.061 115.700 -0.129 0.000 2.745 44 S HA 0.580 5.051 4.470 0.001 0.000 0.306 44 S C -0.254 174.321 174.600 -0.041 0.000 1.137 44 S CA -0.893 57.283 58.200 -0.040 0.000 0.900 44 S CB 1.629 64.847 63.200 0.030 0.000 1.176 44 S HN -0.076 nan 8.310 nan 0.000 0.520 45 V N 1.154 121.074 119.914 0.010 0.000 2.732 45 V HA 0.410 4.531 4.120 0.001 0.000 0.297 45 V C -0.403 175.688 176.094 -0.005 0.000 1.060 45 V CA -0.365 61.952 62.300 0.029 0.000 1.038 45 V CB 0.598 32.454 31.823 0.055 0.000 1.003 45 V HN 0.680 nan 8.190 nan 0.000 0.481 46 I N 3.165 123.721 120.570 -0.024 0.000 2.474 46 I HA 0.623 4.794 4.170 0.001 0.000 0.294 46 I C 0.055 176.017 176.117 -0.259 0.000 1.005 46 I CA 0.031 61.199 61.300 -0.221 0.000 1.113 46 I CB 2.100 39.850 38.000 -0.416 0.000 1.289 46 I HN 0.625 nan 8.210 nan 0.000 0.436 47 T N 3.428 117.791 114.554 -0.318 0.000 2.812 47 T HA 0.881 5.231 4.350 0.001 0.000 0.294 47 T C -1.747 172.834 174.700 -0.197 0.000 1.159 47 T CA -0.589 61.483 62.100 -0.047 0.000 1.008 47 T CB 1.818 70.817 68.868 0.220 0.000 1.289 47 T HN 0.721 nan 8.240 nan 0.000 0.514 48 A N 0.960 123.842 122.820 0.104 0.000 2.422 48 A HA 0.634 4.954 4.320 0.001 0.000 0.302 48 A C 0.405 178.058 177.584 0.115 0.000 1.041 48 A CA -0.436 51.589 52.037 -0.019 0.000 0.708 48 A CB 1.281 20.181 19.000 -0.167 0.000 1.257 48 A HN 0.953 nan 8.150 nan 0.000 0.414 49 E N 1.614 121.844 120.200 0.050 0.000 2.447 49 E HA 0.168 4.518 4.350 0.001 0.000 0.195 49 E C 0.383 177.038 176.600 0.092 0.000 1.028 49 E CA 0.300 56.742 56.400 0.069 0.000 0.876 49 E CB -0.318 29.403 29.700 0.035 0.000 0.885 49 E HN 0.731 nan 8.360 nan 0.000 0.500 50 I N -2.363 118.269 120.570 0.104 0.000 2.693 50 I HA 0.452 4.623 4.170 0.001 0.000 0.303 50 I C 0.398 176.651 176.117 0.227 0.000 1.025 50 I CA -1.092 60.295 61.300 0.144 0.000 1.086 50 I CB 2.411 40.487 38.000 0.127 0.000 1.268 50 I HN -0.324 nan 8.210 nan 0.000 0.440 51 E N 2.410 122.729 120.200 0.197 0.000 2.028 51 E HA -0.019 4.332 4.350 0.001 0.000 0.190 51 E C -0.189 176.391 176.600 -0.033 0.000 0.984 51 E CA 1.475 57.984 56.400 0.183 0.000 0.800 51 E CB 0.141 29.903 29.700 0.103 0.000 0.758 51 E HN 0.704 nan 8.360 nan 0.000 0.448 52 R N -1.049 119.386 120.500 -0.108 0.000 2.837 52 R HA 0.622 4.963 4.340 0.001 0.000 0.271 52 R C -1.544 174.670 176.300 -0.145 0.000 0.993 52 R CA -0.923 54.889 56.100 -0.480 0.000 0.931 52 R CB 0.611 30.684 30.300 -0.377 0.000 1.206 52 R HN 0.062 nan 8.270 nan 0.000 0.474 53 W N -0.514 120.767 121.300 -0.032 0.000 3.107 53 W HA 0.710 5.370 4.660 0.001 0.000 0.331 53 W C -2.546 173.962 176.519 -0.019 0.000 1.204 53 W CA -2.256 55.071 57.345 -0.030 0.000 1.184 53 W CB -0.273 29.162 29.460 -0.042 0.000 1.421 53 W HN 0.481 nan 8.180 nan 0.000 0.544 54 P HA 0.091 nan 4.420 nan 0.000 0.271 54 P C -1.006 176.405 177.300 0.185 0.000 1.244 54 P CA -0.315 62.861 63.100 0.126 0.000 0.793 54 P CB 0.814 32.568 31.700 0.091 0.000 0.984 55 E N 0.054 120.322 120.200 0.114 0.000 2.194 55 E HA 0.359 4.710 4.350 0.001 0.000 0.284 55 E C -0.585 176.058 176.600 0.073 0.000 1.035 55 E CA -0.323 56.142 56.400 0.109 0.000 0.836 55 E CB 0.276 30.018 29.700 0.069 0.000 1.070 55 E HN 0.540 nan 8.360 nan 0.000 0.401 56 T N 0.250 114.840 114.554 0.061 0.000 2.868 56 T HA 0.514 4.865 4.350 0.001 0.000 0.306 56 T C 0.785 175.482 174.700 -0.005 0.000 1.224 56 T CA -0.296 61.816 62.100 0.020 0.000 1.012 56 T CB 1.408 70.278 68.868 0.004 0.000 1.221 56 T HN 0.282 nan 8.240 nan 0.000 0.499 57 A N 0.727 123.538 122.820 -0.015 0.000 1.978 57 A HA 0.043 4.363 4.320 0.001 0.000 0.220 57 A C 2.025 179.565 177.584 -0.074 0.000 1.170 57 A CA 1.827 53.848 52.037 -0.026 0.000 0.636 57 A CB -0.984 18.006 19.000 -0.017 0.000 0.810 57 A HN 0.919 nan 8.150 nan 0.000 0.448 58 L N 0.505 121.671 121.223 -0.094 0.000 1.921 58 L HA -0.175 4.166 4.340 0.001 0.000 0.219 58 L C 2.815 179.543 176.870 -0.237 0.000 1.081 58 L CA 3.425 58.160 54.840 -0.175 0.000 0.771 58 L CB -1.497 40.475 42.059 -0.146 0.000 0.888 58 L HN 0.556 nan 8.230 nan 0.000 0.433 59 T N -2.221 112.223 114.554 -0.183 0.000 2.737 59 T HA -0.270 4.081 4.350 0.001 0.000 0.269 59 T C 2.006 176.641 174.700 -0.110 0.000 1.040 59 T CA 1.700 63.670 62.100 -0.217 0.000 1.142 59 T CB -0.611 68.178 68.868 -0.130 0.000 0.861 59 T HN 0.453 nan 8.240 nan 0.000 0.456 60 R N 0.799 121.272 120.500 -0.045 0.000 2.080 60 R HA -0.067 4.274 4.340 0.001 0.000 0.236 60 R C 2.759 179.040 176.300 -0.032 0.000 1.137 60 R CA 1.690 57.791 56.100 0.002 0.000 0.943 60 R CB -0.330 29.977 30.300 0.010 0.000 0.846 60 R HN 0.398 nan 8.270 nan 0.000 0.431 61 E N 0.943 121.076 120.200 -0.113 0.000 2.005 61 E HA -0.175 4.176 4.350 0.001 0.000 0.198 61 E C 2.051 178.518 176.600 -0.222 0.000 1.010 61 E CA 1.158 57.466 56.400 -0.154 0.000 0.825 61 E CB -0.583 28.933 29.700 -0.307 0.000 0.769 61 E HN 0.074 nan 8.360 nan 0.000 0.456 62 L N 0.618 121.543 121.223 -0.496 0.000 2.043 62 L HA -0.212 4.129 4.340 0.001 0.000 0.212 62 L C 2.229 179.087 176.870 -0.020 0.000 1.075 62 L CA 2.067 56.655 54.840 -0.421 0.000 0.752 62 L CB -0.869 40.868 42.059 -0.536 0.000 0.891 62 L HN 0.153 nan 8.230 nan 0.000 0.432 63 A N -1.289 121.542 122.820 0.018 0.000 2.015 63 A HA -0.165 4.155 4.320 0.001 0.000 0.219 63 A C 2.425 180.133 177.584 0.206 0.000 1.163 63 A CA 1.254 53.414 52.037 0.205 0.000 0.646 63 A CB -0.433 18.721 19.000 0.256 0.000 0.806 63 A HN 0.327 nan 8.150 nan 0.000 0.448 64 R N -1.059 119.527 120.500 0.143 0.000 2.236 64 R HA -0.009 4.332 4.340 0.001 0.000 0.208 64 R C 0.439 176.811 176.300 0.119 0.000 1.036 64 R CA 0.121 56.289 56.100 0.112 0.000 1.001 64 R CB -0.165 30.185 30.300 0.084 0.000 0.896 64 R HN 0.566 nan 8.270 nan 0.000 0.464 65 H N 1.267 120.434 119.070 0.162 0.000 3.046 65 H HA 0.009 4.566 4.556 0.001 0.000 0.303 65 H C -1.677 173.774 175.328 0.204 0.000 1.002 65 H CA -1.517 54.650 56.048 0.199 0.000 1.460 65 H CB 1.468 31.387 29.762 0.262 0.000 1.493 65 H HN -0.011 nan 8.280 nan 0.000 0.559 66 P HA -0.089 nan 4.420 nan 0.000 0.222 66 P C 1.088 178.569 177.300 0.302 0.000 1.147 66 P CA 1.191 64.360 63.100 0.116 0.000 0.790 66 P CB 0.127 31.817 31.700 -0.015 0.000 0.780 67 A N -0.912 122.253 122.820 0.575 0.000 2.121 67 A HA -0.112 4.208 4.320 0.001 0.000 0.218 67 A C 0.930 178.730 177.584 0.360 0.000 1.154 67 A CA 0.182 52.454 52.037 0.392 0.000 0.679 67 A CB -1.386 17.760 19.000 0.243 0.000 0.795 67 A HN 0.099 nan 8.150 nan 0.000 0.458 68 F N 1.578 121.665 119.950 0.228 0.000 2.533 68 F HA 0.328 4.855 4.527 0.001 0.000 0.378 68 F C 0.183 176.102 175.800 0.199 0.000 1.070 68 F CA -1.133 56.975 58.000 0.180 0.000 1.172 68 F CB 0.079 39.174 39.000 0.157 0.000 1.085 68 F HN -0.083 nan 8.300 nan 0.000 0.552 69 V N 7.430 127.782 119.914 0.730 0.000 2.614 69 V HA 0.127 4.248 4.120 0.001 0.000 0.291 69 V C 0.537 176.809 176.094 0.297 0.000 1.049 69 V CA -0.751 61.790 62.300 0.402 0.000 1.038 69 V CB 0.784 32.754 31.823 0.244 0.000 0.980 69 V HN 0.838 nan 8.190 nan 0.000 0.481 70 N N 2.291 121.024 118.700 0.054 0.000 2.714 70 N HA -0.214 4.526 4.740 0.001 0.000 0.250 70 N C 1.521 176.934 175.510 -0.161 0.000 1.117 70 N CA 1.067 54.053 53.050 -0.108 0.000 0.719 70 N CB -0.694 37.634 38.487 -0.265 0.000 1.081 70 N HN 0.785 nan 8.380 nan 0.000 0.557 71 R N 0.937 121.356 120.500 -0.135 0.000 2.117 71 R HA -0.132 4.209 4.340 0.001 0.000 0.243 71 R C 0.466 176.774 176.300 0.013 0.000 1.143 71 R CA 1.582 57.520 56.100 -0.270 0.000 0.968 71 R CB 0.044 30.141 30.300 -0.339 0.000 0.863 71 R HN 0.201 nan 8.270 nan 0.000 0.444 72 D N -0.337 120.052 120.400 -0.019 0.000 2.340 72 D HA -0.011 4.630 4.640 0.001 0.000 0.220 72 D C 1.625 177.904 176.300 -0.035 0.000 1.039 72 D CA 0.234 54.232 54.000 -0.004 0.000 0.866 72 D CB 0.499 41.297 40.800 -0.004 0.000 0.913 72 D HN 0.075 nan 8.370 nan 0.000 0.523 73 V N 0.276 120.125 119.914 -0.108 0.000 2.379 73 V HA -0.150 3.971 4.120 0.001 0.000 0.243 73 V C 1.924 177.921 176.094 -0.162 0.000 1.035 73 V CA 0.854 63.051 62.300 -0.171 0.000 1.035 73 V CB -0.506 31.177 31.823 -0.234 0.000 0.673 73 V HN 0.030 nan 8.190 nan 0.000 0.457 74 F N 0.743 120.696 119.950 0.006 0.000 2.063 74 F HA -0.185 4.343 4.527 0.001 0.000 0.298 74 F C 0.265 175.993 175.800 -0.119 0.000 1.105 74 F CA 2.402 60.388 58.000 -0.024 0.000 1.215 74 F CB -2.565 36.456 39.000 0.034 0.000 0.972 74 F HN 0.282 nan 8.300 nan 0.000 0.483 75 P HA -0.215 nan 4.420 nan 0.000 0.216 75 P C 1.943 179.198 177.300 -0.074 0.000 1.157 75 P CA 1.875 64.942 63.100 -0.056 0.000 0.880 75 P CB -0.206 31.466 31.700 -0.048 0.000 0.791 76 I N -1.371 119.154 120.570 -0.076 0.000 2.179 76 I HA -0.216 3.955 4.170 0.001 0.000 0.242 76 I C 2.191 178.221 176.117 -0.144 0.000 1.088 76 I CA 1.286 62.520 61.300 -0.111 0.000 1.357 76 I CB -0.570 37.361 38.000 -0.114 0.000 1.051 76 I HN -0.138 nan 8.210 nan 0.000 0.409 77 I N 1.012 121.507 120.570 -0.125 0.000 2.277 77 I HA -0.137 4.034 4.170 0.001 0.000 0.243 77 I C 2.835 178.890 176.117 -0.104 0.000 1.094 77 I CA 1.361 62.579 61.300 -0.137 0.000 1.393 77 I CB -1.792 36.140 38.000 -0.114 0.000 1.078 77 I HN 0.116 nan 8.210 nan 0.000 0.417 78 A N -0.188 122.599 122.820 -0.055 0.000 2.032 78 A HA -0.208 4.113 4.320 0.001 0.000 0.221 78 A C 1.301 178.830 177.584 -0.092 0.000 1.165 78 A CA 1.337 53.338 52.037 -0.060 0.000 0.645 78 A CB -0.669 18.284 19.000 -0.078 0.000 0.807 78 A HN 0.444 nan 8.150 nan 0.000 0.453 79 D N -1.072 119.261 120.400 -0.112 0.000 2.317 79 D HA 0.258 4.899 4.640 0.001 0.000 0.234 79 D C 1.015 177.222 176.300 -0.154 0.000 1.112 79 D CA -0.347 53.585 54.000 -0.114 0.000 0.840 79 D CB 0.647 41.386 40.800 -0.102 0.000 1.078 79 D HN 0.218 nan 8.370 nan 0.000 0.486 80 R N 2.417 122.832 120.500 -0.142 0.000 2.117 80 R HA -0.189 4.152 4.340 0.001 0.000 0.243 80 R C 1.974 178.095 176.300 -0.297 0.000 1.143 80 R CA 0.937 56.916 56.100 -0.202 0.000 0.968 80 R CB -0.084 30.133 30.300 -0.138 0.000 0.863 80 R HN 0.432 nan 8.270 nan 0.000 0.444 81 L N 0.819 121.925 121.223 -0.195 0.000 1.990 81 L HA -0.226 4.115 4.340 0.001 0.000 0.213 81 L C 2.183 178.901 176.870 -0.255 0.000 1.072 81 L CA 2.472 57.211 54.840 -0.168 0.000 0.755 81 L CB -0.888 41.167 42.059 -0.006 0.000 0.889 81 L HN 0.274 nan 8.230 nan 0.000 0.432 82 T N -3.253 111.173 114.554 -0.214 0.000 2.867 82 T HA -0.232 4.119 4.350 0.001 0.000 0.268 82 T C 1.845 176.313 174.700 -0.387 0.000 1.057 82 T CA 1.363 63.327 62.100 -0.228 0.000 1.136 82 T CB -0.521 68.246 68.868 -0.168 0.000 0.874 82 T HN 0.504 nan 8.240 nan 0.000 0.466 83 Q N 0.691 120.200 119.800 -0.486 0.000 2.061 83 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 83 Q C 2.402 177.653 176.000 -1.248 0.000 0.984 83 Q CA 1.232 56.569 55.803 -0.778 0.000 0.846 83 Q CB -0.018 28.369 28.738 -0.585 0.000 0.902 83 Q HN 0.368 nan 8.270 nan 0.000 0.421 84 K N 0.356 120.136 120.400 -1.035 0.000 2.026 84 K HA -0.169 4.152 4.320 0.001 0.000 0.208 84 K C 2.055 178.315 176.600 -0.567 0.000 1.048 84 K CA 1.420 57.050 56.287 -1.095 0.000 0.929 84 K CB -0.274 30.913 32.500 -2.189 0.000 0.713 84 K HN 0.407 nan 8.250 nan 0.000 0.439 85 Q N 0.764 120.353 119.800 -0.350 0.000 2.112 85 Q HA -0.201 4.140 4.340 0.001 0.000 0.206 85 Q C 2.204 178.145 176.000 -0.098 0.000 0.987 85 Q CA 1.394 57.191 55.803 -0.011 0.000 0.858 85 Q CB -0.459 28.296 28.738 0.028 0.000 0.905 85 Q HN 0.188 nan 8.270 nan 0.000 0.420 86 L N 0.458 121.525 121.223 -0.260 0.000 1.956 86 L HA -0.208 4.133 4.340 0.001 0.000 0.216 86 L C 2.069 178.890 176.870 -0.082 0.000 1.073 86 L CA 1.915 56.620 54.840 -0.225 0.000 0.762 86 L CB -0.904 40.939 42.059 -0.360 0.000 0.889 86 L HN 0.037 nan 8.230 nan 0.000 0.433 87 F N 0.668 120.547 119.950 -0.117 0.000 2.091 87 F HA -0.236 4.291 4.527 0.001 0.000 0.299 87 F C 2.469 178.225 175.800 -0.073 0.000 1.103 87 F CA 1.485 59.426 58.000 -0.098 0.000 1.228 87 F CB -1.626 37.301 39.000 -0.122 0.000 0.984 87 F HN 0.241 nan 8.300 nan 0.000 0.477 88 D N 0.110 120.595 120.400 0.141 0.000 2.097 88 D HA -0.180 4.460 4.640 0.001 0.000 0.195 88 D C 2.279 178.475 176.300 -0.173 0.000 0.989 88 D CA 1.287 55.317 54.000 0.049 0.000 0.827 88 D CB -0.445 40.456 40.800 0.169 0.000 0.966 88 D HN 0.251 nan 8.370 nan 0.000 0.456 89 K N 0.120 120.453 120.400 -0.112 0.000 2.152 89 K HA -0.139 4.182 4.320 0.001 0.000 0.206 89 K C 1.496 178.002 176.600 -0.157 0.000 1.048 89 K CA 0.719 56.915 56.287 -0.151 0.000 0.933 89 K CB 0.030 32.495 32.500 -0.057 0.000 0.721 89 K HN 0.022 nan 8.250 nan 0.000 0.447 90 L N 0.787 121.976 121.223 -0.058 0.000 2.558 90 L HA 0.041 4.382 4.340 0.001 0.000 0.225 90 L C -0.109 176.848 176.870 0.146 0.000 1.128 90 L CA 0.967 55.845 54.840 0.064 0.000 0.868 90 L CB -0.535 41.575 42.059 0.085 0.000 1.006 90 L HN 0.286 nan 8.230 nan 0.000 0.454 91 H N -1.116 117.996 119.070 0.071 0.000 2.882 91 H HA -0.128 4.429 4.556 0.001 0.000 0.314 91 H C -0.285 175.066 175.328 0.039 0.000 1.270 91 H CA 0.216 56.298 56.048 0.056 0.000 1.165 91 H CB -2.073 27.711 29.762 0.037 0.000 1.436 91 H HN 0.176 nan 8.280 nan 0.000 0.431 92 L N 1.616 122.896 121.223 0.095 0.000 2.307 92 L HA 0.406 4.746 4.340 0.001 0.000 0.284 92 L C -1.787 175.077 176.870 -0.011 0.000 1.023 92 L CA -2.025 52.825 54.840 0.016 0.000 0.810 92 L CB 1.174 43.199 42.059 -0.057 0.000 1.231 92 L HN -0.130 nan 8.230 nan 0.000 0.423 93 P HA 0.033 nan 4.420 nan 0.000 0.260 93 P C -0.372 176.888 177.300 -0.067 0.000 1.185 93 P CA 0.308 63.399 63.100 -0.015 0.000 0.763 93 P CB 0.763 32.450 31.700 -0.022 0.000 0.776 94 T N 1.551 116.116 114.554 0.019 0.000 2.885 94 T HA 0.559 4.909 4.350 0.001 0.000 0.322 94 T C -1.057 173.736 174.700 0.155 0.000 1.387 94 T CA -0.524 61.600 62.100 0.039 0.000 1.041 94 T CB 0.812 69.700 68.868 0.033 0.000 1.287 94 T HN 0.344 nan 8.240 nan 0.000 0.491 95 A N 4.940 127.873 122.820 0.188 0.000 2.573 95 A HA 0.423 4.743 4.320 0.001 0.000 0.250 95 A C -2.311 175.445 177.584 0.288 0.000 1.049 95 A CA -0.379 51.794 52.037 0.227 0.000 0.767 95 A CB -0.652 18.497 19.000 0.248 0.000 0.965 95 A HN 0.575 nan 8.150 nan 0.000 0.514 96 P HA 0.050 nan 4.420 nan 0.000 0.260 96 P C -0.148 177.321 177.300 0.281 0.000 1.185 96 P CA 0.517 63.757 63.100 0.233 0.000 0.763 96 P CB 0.137 31.907 31.700 0.117 0.000 0.776 97 W N 2.932 124.247 121.300 0.025 0.000 3.040 97 W HA 0.737 5.398 4.660 0.001 0.000 0.344 97 W C -1.647 174.859 176.519 -0.022 0.000 1.201 97 W CA -0.948 56.401 57.345 0.008 0.000 1.119 97 W CB 1.115 30.589 29.460 0.024 0.000 1.478 97 W HN 0.331 nan 8.180 nan 0.000 0.586 98 Q N 1.050 120.864 119.800 0.025 0.000 2.522 98 Q HA 0.433 4.773 4.340 0.001 0.000 0.285 98 Q C -1.928 174.095 176.000 0.038 0.000 0.982 98 Q CA -0.943 54.685 55.803 -0.293 0.000 0.805 98 Q CB 3.354 31.944 28.738 -0.247 0.000 1.457 98 Q HN 0.561 nan 8.270 nan 0.000 0.394 99 L N 2.644 123.837 121.223 -0.049 0.000 2.290 99 L HA 0.394 4.734 4.340 0.001 0.000 0.284 99 L C -1.292 175.535 176.870 -0.072 0.000 1.078 99 L CA -0.125 54.743 54.840 0.047 0.000 0.815 99 L CB 0.781 42.870 42.059 0.049 0.000 1.162 99 L HN 0.608 nan 8.230 nan 0.000 0.435 100 L N 5.971 127.136 121.223 -0.096 0.000 2.328 100 L HA 0.471 4.812 4.340 0.001 0.000 0.280 100 L C 0.954 177.776 176.870 -0.080 0.000 1.111 100 L CA 0.685 55.411 54.840 -0.189 0.000 0.909 100 L CB 0.516 42.376 42.059 -0.332 0.000 1.277 100 L HN 0.903 nan 8.230 nan 0.000 0.433 101 A N 3.558 126.350 122.820 -0.046 0.000 1.943 101 A HA 0.258 4.579 4.320 0.001 0.000 0.213 101 A C 0.545 178.161 177.584 0.054 0.000 1.181 101 A CA 0.578 52.624 52.037 0.015 0.000 0.653 101 A CB 0.114 19.092 19.000 -0.036 0.000 0.833 101 A HN 0.553 nan 8.150 nan 0.000 0.451 102 E N -1.642 118.533 120.200 -0.041 0.000 2.331 102 E HA 0.300 4.651 4.350 0.001 0.000 0.275 102 E C -0.218 176.173 176.600 -0.347 0.000 0.895 102 E CA -0.629 55.634 56.400 -0.228 0.000 0.753 102 E CB 1.473 31.071 29.700 -0.170 0.000 1.216 102 E HN 0.264 nan 8.360 nan 0.000 0.434 103 R N 0.872 120.974 120.500 -0.663 0.000 2.117 103 R HA -0.181 4.160 4.340 0.001 0.000 0.243 103 R C 1.976 178.260 176.300 -0.026 0.000 1.143 103 R CA 2.056 57.984 56.100 -0.285 0.000 0.968 103 R CB -0.078 30.063 30.300 -0.266 0.000 0.863 103 R HN 0.542 nan 8.270 nan 0.000 0.444 104 S N -0.043 115.601 115.700 -0.094 0.000 2.462 104 S HA -0.170 4.300 4.470 0.001 0.000 0.243 104 S C 1.423 176.017 174.600 -0.010 0.000 1.003 104 S CA 1.447 59.632 58.200 -0.024 0.000 0.970 104 S CB -0.101 63.067 63.200 -0.054 0.000 0.762 104 S HN 0.456 nan 8.310 nan 0.000 0.510 105 E N -0.513 119.631 120.200 -0.094 0.000 2.318 105 E HA 0.043 4.394 4.350 0.001 0.000 0.193 105 E C 1.290 177.851 176.600 -0.065 0.000 0.998 105 E CA 0.266 56.592 56.400 -0.123 0.000 0.859 105 E CB -0.169 29.396 29.700 -0.226 0.000 0.812 105 E HN 0.715 nan 8.360 nan 0.000 0.492 106 W N 1.502 122.827 121.300 0.041 0.000 2.280 106 W HA -0.248 4.413 4.660 0.001 0.000 0.332 106 W C -0.704 175.910 176.519 0.157 0.000 1.300 106 W CA 1.338 58.730 57.345 0.079 0.000 1.274 106 W CB -1.456 28.125 29.460 0.202 0.000 1.141 106 W HN 0.240 nan 8.180 nan 0.000 0.474 107 P HA -0.274 nan 4.420 nan 0.000 0.214 107 P C 1.340 178.784 177.300 0.240 0.000 1.163 107 P CA 3.162 66.462 63.100 0.333 0.000 0.889 107 P CB -0.633 31.183 31.700 0.193 0.000 0.790 108 A N -0.644 122.252 122.820 0.125 0.000 1.940 108 A HA -0.159 4.162 4.320 0.001 0.000 0.219 108 A C 2.427 180.027 177.584 0.027 0.000 1.176 108 A CA 1.901 53.970 52.037 0.054 0.000 0.631 108 A CB -1.757 17.240 19.000 -0.005 0.000 0.814 108 A HN 0.043 nan 8.150 nan 0.000 0.446 109 V N -0.958 118.943 119.914 -0.021 0.000 2.214 109 V HA -0.304 3.816 4.120 0.001 0.000 0.247 109 V C 2.285 178.327 176.094 -0.085 0.000 1.051 109 V CA 2.471 64.685 62.300 -0.143 0.000 1.003 109 V CB -1.103 30.527 31.823 -0.323 0.000 0.635 109 V HN 0.584 nan 8.190 nan 0.000 0.447 110 F N 0.141 120.191 119.950 0.166 0.000 2.236 110 F HA -0.194 4.334 4.527 0.001 0.000 0.302 110 F C 2.339 178.184 175.800 0.074 0.000 1.073 110 F CA 1.718 59.793 58.000 0.125 0.000 1.336 110 F CB -0.634 38.438 39.000 0.120 0.000 1.040 110 F HN 0.239 nan 8.300 nan 0.000 0.507 111 D N -0.616 119.908 120.400 0.207 0.000 2.224 111 D HA -0.074 4.567 4.640 0.001 0.000 0.205 111 D C 2.365 178.711 176.300 0.076 0.000 0.965 111 D CA 0.716 54.790 54.000 0.124 0.000 0.852 111 D CB 0.065 40.919 40.800 0.091 0.000 0.947 111 D HN 0.288 nan 8.370 nan 0.000 0.494 112 R N -0.449 120.081 120.500 0.051 0.000 2.105 112 R HA 0.158 4.498 4.340 0.001 0.000 0.214 112 R C 2.372 178.695 176.300 0.038 0.000 1.091 112 R CA 0.191 56.304 56.100 0.022 0.000 1.007 112 R CB 0.251 30.538 30.300 -0.021 0.000 0.912 112 R HN 0.141 nan 8.270 nan 0.000 0.450 113 L N -0.954 120.297 121.223 0.046 0.000 2.202 113 L HA 0.288 4.629 4.340 0.001 0.000 0.205 113 L C 1.114 178.047 176.870 0.106 0.000 1.083 113 L CA 0.512 55.390 54.840 0.064 0.000 0.790 113 L CB -0.260 41.822 42.059 0.039 0.000 0.942 113 L HN 0.341 nan 8.230 nan 0.000 0.452 114 G N 0.962 109.860 108.800 0.162 0.000 2.422 114 G HA2 -0.196 3.764 3.960 0.001 0.000 0.607 114 G HA3 -0.196 3.764 3.960 0.001 0.000 0.607 114 G C 0.402 175.465 174.900 0.270 0.000 1.270 114 G CA -0.014 45.190 45.100 0.173 0.000 0.992 114 G HN 0.360 nan 8.290 nan 0.000 0.499 115 E N -0.892 119.407 120.200 0.164 0.000 2.147 115 E HA -0.079 4.271 4.350 0.001 0.000 0.199 115 E C 1.337 178.047 176.600 0.183 0.000 1.005 115 E CA 1.579 58.049 56.400 0.117 0.000 0.810 115 E CB 0.205 29.922 29.700 0.029 0.000 0.736 115 E HN 0.901 nan 8.360 nan 0.000 0.460 116 L N 0.219 121.562 121.223 0.200 0.000 2.346 116 L HA 0.634 4.975 4.340 0.001 0.000 0.276 116 L C -1.317 175.698 176.870 0.242 0.000 1.006 116 L CA -0.644 54.321 54.840 0.210 0.000 0.817 116 L CB 1.939 44.062 42.059 0.106 0.000 1.272 116 L HN 0.132 nan 8.230 nan 0.000 0.421 117 A N 5.319 128.308 122.820 0.280 0.000 2.343 117 A HA 0.771 5.091 4.320 0.001 0.000 0.316 117 A C -1.129 176.578 177.584 0.206 0.000 1.104 117 A CA -0.422 51.746 52.037 0.218 0.000 0.768 117 A CB 0.922 20.054 19.000 0.221 0.000 1.213 117 A HN 0.600 nan 8.150 nan 0.000 0.456 118 I N 2.720 123.394 120.570 0.174 0.000 2.328 118 I HA 0.319 4.489 4.170 0.001 0.000 0.287 118 I C -0.392 175.851 176.117 0.209 0.000 1.012 118 I CA -0.140 61.270 61.300 0.182 0.000 1.195 118 I CB 1.743 39.829 38.000 0.143 0.000 1.350 118 I HN 0.353 nan 8.210 nan 0.000 0.464 119 V N 6.871 126.959 119.914 0.290 0.000 2.439 119 V HA 0.476 4.596 4.120 0.001 0.000 0.282 119 V C 0.072 176.405 176.094 0.398 0.000 1.039 119 V CA -0.740 61.758 62.300 0.329 0.000 0.913 119 V CB 1.340 33.372 31.823 0.348 0.000 0.983 119 V HN 0.573 nan 8.190 nan 0.000 0.460 120 K N 3.509 124.075 120.400 0.277 0.000 2.427 120 K HA 0.533 4.854 4.320 0.001 0.000 0.252 120 K C -0.581 176.136 176.600 0.195 0.000 0.931 120 K CA -0.884 55.532 56.287 0.214 0.000 0.793 120 K CB 2.562 35.127 32.500 0.107 0.000 1.211 120 K HN 0.543 nan 8.250 nan 0.000 0.426 121 R N 1.957 122.579 120.500 0.204 0.000 2.489 121 R HA 0.073 4.414 4.340 0.001 0.000 0.287 121 R C 1.137 177.468 176.300 0.053 0.000 1.053 121 R CA 0.312 56.498 56.100 0.144 0.000 1.036 121 R CB 0.472 30.852 30.300 0.133 0.000 0.966 121 R HN 0.521 nan 8.270 nan 0.000 0.432 122 R N 0.441 120.957 120.500 0.028 0.000 2.096 122 R HA -0.077 4.263 4.340 0.001 0.000 0.235 122 R C 0.471 176.754 176.300 -0.028 0.000 1.127 122 R CA 1.183 57.276 56.100 -0.012 0.000 0.968 122 R CB 0.150 30.441 30.300 -0.016 0.000 0.861 122 R HN 0.425 nan 8.270 nan 0.000 0.440 123 T N -0.577 113.969 114.554 -0.014 0.000 2.886 123 T HA 0.521 4.872 4.350 0.001 0.000 0.292 123 T C -0.589 174.103 174.700 -0.013 0.000 1.012 123 T CA 0.245 62.328 62.100 -0.029 0.000 0.982 123 T CB 1.730 70.572 68.868 -0.044 0.000 1.018 123 T HN 0.567 nan 8.240 nan 0.000 0.451 131 Q N -0.649 118.626 119.800 -0.876 0.000 2.456 131 Q HA 0.651 4.991 4.340 0.001 0.000 0.284 131 Q C -1.764 173.837 176.000 -0.666 0.000 1.061 131 Q CA -1.223 54.272 55.803 -0.514 0.000 0.799 131 Q CB 2.143 30.811 28.738 -0.118 0.000 1.445 131 Q HN 0.355 nan 8.270 nan 0.000 0.411 132 W N 1.040 122.367 121.300 0.045 0.000 3.032 132 W HA 0.532 5.192 4.660 0.001 0.000 0.335 132 W C -0.740 175.817 176.519 0.064 0.000 1.154 132 W CA -0.883 56.492 57.345 0.051 0.000 1.204 132 W CB 2.450 31.944 29.460 0.057 0.000 1.416 132 W HN 0.623 nan 8.180 nan 0.000 0.521 133 R N 2.234 122.888 120.500 0.257 0.000 2.358 133 R HA 0.525 4.865 4.340 0.001 0.000 0.309 133 R C -1.026 175.375 176.300 0.169 0.000 1.026 133 R CA -0.775 55.431 56.100 0.177 0.000 0.909 133 R CB 1.201 31.561 30.300 0.100 0.000 1.153 133 R HN 0.112 nan 8.270 nan 0.000 0.515 134 L N 2.392 123.729 121.223 0.190 0.000 2.354 134 L HA 0.566 4.907 4.340 0.001 0.000 0.269 134 L C -0.047 176.930 176.870 0.178 0.000 1.005 134 L CA -0.645 54.280 54.840 0.142 0.000 0.819 134 L CB 1.885 44.012 42.059 0.113 0.000 1.311 134 L HN 0.453 nan 8.230 nan 0.000 0.423 135 R N 1.028 121.551 120.500 0.038 0.000 2.828 135 R HA 0.681 5.021 4.340 0.001 0.000 0.264 135 R C 0.978 177.046 176.300 -0.387 0.000 1.022 135 R CA -0.332 55.707 56.100 -0.102 0.000 1.021 135 R CB 1.057 31.287 30.300 -0.117 0.000 1.163 135 R HN 0.733 nan 8.270 nan 0.000 0.494 136 A N 1.656 123.940 122.820 -0.894 0.000 2.001 136 A HA -0.327 3.994 4.320 0.001 0.000 0.224 136 A C 1.372 178.669 177.584 -0.478 0.000 1.203 136 A CA 2.558 53.994 52.037 -1.001 0.000 0.667 136 A CB -1.090 17.403 19.000 -0.844 0.000 0.823 136 A HN 0.948 nan 8.150 nan 0.000 0.473 137 N N -1.457 117.048 118.700 -0.324 0.000 2.270 137 N HA 0.152 4.892 4.740 0.001 0.000 0.198 137 N C 0.766 176.173 175.510 -0.172 0.000 1.117 137 N CA 0.633 53.557 53.050 -0.210 0.000 0.845 137 N CB 0.171 38.566 38.487 -0.152 0.000 0.980 137 N HN 0.662 nan 8.380 nan 0.000 0.486 138 E N -0.743 119.341 120.200 -0.193 0.000 2.490 138 E HA 0.061 4.412 4.350 0.001 0.000 0.209 138 E C 0.884 177.376 176.600 -0.180 0.000 0.971 138 E CA 0.060 56.378 56.400 -0.136 0.000 0.988 138 E CB 0.171 29.828 29.700 -0.071 0.000 1.029 138 E HN 0.193 nan 8.360 nan 0.000 0.496 139 T N 1.782 116.136 114.554 -0.333 0.000 2.812 139 T HA -0.286 4.064 4.350 0.001 0.000 0.261 139 T C 1.547 176.108 174.700 -0.233 0.000 1.031 139 T CA 1.789 63.566 62.100 -0.538 0.000 1.158 139 T CB -0.231 68.118 68.868 -0.864 0.000 0.836 139 T HN 0.241 nan 8.240 nan 0.000 0.488 140 E N -0.107 120.010 120.200 -0.139 0.000 2.482 140 E HA -0.007 4.343 4.350 0.001 0.000 0.196 140 E C 2.196 178.778 176.600 -0.030 0.000 1.047 140 E CA 0.146 56.518 56.400 -0.047 0.000 0.869 140 E CB 0.031 29.710 29.700 -0.036 0.000 0.836 140 E HN 0.553 nan 8.360 nan 0.000 0.520 141 Q N -0.040 119.728 119.800 -0.053 0.000 2.311 141 Q HA -0.022 4.319 4.340 0.001 0.000 0.203 141 Q C 0.178 176.121 176.000 -0.095 0.000 0.954 141 Q CA 0.173 55.960 55.803 -0.027 0.000 0.885 141 Q CB 0.304 29.050 28.738 0.013 0.000 0.963 141 Q HN 0.114 nan 8.270 nan 0.000 0.471 142 L N 2.585 123.698 121.223 -0.183 0.000 2.315 142 L HA 0.232 4.573 4.340 0.001 0.000 0.283 142 L C -2.250 174.463 176.870 -0.262 0.000 1.089 142 L CA -1.983 52.608 54.840 -0.415 0.000 0.833 142 L CB 0.536 42.403 42.059 -0.321 0.000 1.170 142 L HN -0.092 nan 8.230 nan 0.000 0.442 143 P HA 0.018 nan 4.420 nan 0.000 0.266 143 P C 0.081 177.325 177.300 -0.094 0.000 1.193 143 P CA 0.052 63.079 63.100 -0.122 0.000 0.770 143 P CB 0.699 32.354 31.700 -0.074 0.000 0.836 144 A N 2.932 125.790 122.820 0.063 0.000 2.067 144 A HA -0.183 4.138 4.320 0.001 0.000 0.219 144 A C 1.785 179.449 177.584 0.134 0.000 1.158 144 A CA 1.130 53.301 52.037 0.223 0.000 0.661 144 A CB -0.904 18.205 19.000 0.182 0.000 0.801 144 A HN 0.681 nan 8.150 nan 0.000 0.452 145 E N -0.621 119.594 120.200 0.025 0.000 2.171 145 E HA -0.262 4.089 4.350 0.001 0.000 0.197 145 E C 1.832 178.402 176.600 -0.049 0.000 0.997 145 E CA 1.335 57.740 56.400 0.008 0.000 0.810 145 E CB -0.786 28.923 29.700 0.015 0.000 0.738 145 E HN 0.598 nan 8.360 nan 0.000 0.467 146 c N 0.739 119.225 118.600 -0.190 0.000 2.422 146 c HA -0.099 4.471 4.570 0.001 0.000 0.286 146 c C 0.701 174.571 174.090 -0.367 0.000 1.412 146 c CA -0.162 55.970 56.329 -0.328 0.000 1.786 146 c CB -1.504 40.653 42.510 -0.588 0.000 1.835 146 c HN 0.278 nan 8.230 nan 0.000 0.533 147 Y N 0.709 120.968 120.300 -0.068 0.000 2.697 147 Y HA 0.348 4.899 4.550 0.001 0.000 0.349 147 Y C 1.502 177.365 175.900 -0.063 0.000 1.120 147 Y CA 1.056 59.109 58.100 -0.078 0.000 1.468 147 Y CB -0.451 37.964 38.460 -0.076 0.000 1.182 147 Y HN 0.408 nan 8.280 nan 0.000 0.525 148 G N 2.288 111.101 108.800 0.022 0.000 2.184 148 G HA2 -0.326 3.635 3.960 0.001 0.000 0.264 148 G HA3 -0.326 3.635 3.960 0.001 0.000 0.264 148 G C 0.953 175.848 174.900 -0.008 0.000 0.975 148 G CA 0.448 45.553 45.100 0.008 0.000 0.642 148 G HN 0.609 nan 8.290 nan 0.000 0.536 149 E N -1.069 119.114 120.200 -0.029 0.000 2.473 149 E HA 0.254 4.604 4.350 0.001 0.000 0.204 149 E C 0.386 176.972 176.600 -0.024 0.000 0.994 149 E CA 0.565 56.953 56.400 -0.021 0.000 0.945 149 E CB 0.388 30.077 29.700 -0.018 0.000 0.990 149 E HN 0.536 nan 8.360 nan 0.000 0.493 150 c N 0.354 118.917 118.600 -0.062 0.000 2.848 150 c HA 0.628 5.198 4.570 0.001 0.000 0.317 150 c C -0.204 173.869 174.090 -0.029 0.000 1.260 150 c CA -1.002 55.303 56.329 -0.040 0.000 1.656 150 c CB 1.005 43.456 42.510 -0.099 0.000 2.174 150 c HN 0.285 nan 8.230 nan 0.000 0.479 151 I N -0.367 120.221 120.570 0.029 0.000 2.957 151 I HA 0.921 5.091 4.170 0.001 0.000 0.310 151 I C -0.798 175.365 176.117 0.077 0.000 1.063 151 I CA -0.648 60.699 61.300 0.078 0.000 1.033 151 I CB 1.538 39.636 38.000 0.162 0.000 1.230 151 I HN 0.390 nan 8.210 nan 0.000 0.447 152 V N 2.209 122.177 119.914 0.091 0.000 2.709 152 V HA 0.605 4.725 4.120 0.001 0.000 0.308 152 V C -1.058 175.123 176.094 0.146 0.000 1.062 152 V CA -0.070 62.275 62.300 0.074 0.000 0.901 152 V CB 1.938 33.726 31.823 -0.058 0.000 1.003 152 V HN 0.966 nan 8.190 nan 0.000 0.425 153 E N 2.873 123.163 120.200 0.152 0.000 2.317 153 E HA 0.396 4.747 4.350 0.001 0.000 0.270 153 E C -1.149 175.534 176.600 0.137 0.000 0.885 153 E CA -0.681 55.828 56.400 0.181 0.000 0.760 153 E CB 2.094 31.909 29.700 0.193 0.000 1.227 153 E HN 0.806 nan 8.360 nan 0.000 0.434 154 Q N 1.711 121.592 119.800 0.135 0.000 2.332 154 Q HA 0.254 4.594 4.340 0.001 0.000 0.263 154 Q C -0.169 175.885 176.000 0.090 0.000 0.979 154 Q CA -0.297 55.568 55.803 0.104 0.000 0.885 154 Q CB 0.775 29.572 28.738 0.097 0.000 1.218 154 Q HN 0.658 nan 8.270 nan 0.000 0.405 155 G N 5.026 113.866 108.800 0.067 0.000 2.334 155 G HA2 0.241 4.202 3.960 0.001 0.000 0.261 155 G HA3 0.241 4.202 3.960 0.001 0.000 0.261 155 G C -0.245 174.635 174.900 -0.032 0.000 1.257 155 G CA -0.500 44.609 45.100 0.016 0.000 0.935 155 G HN 0.627 nan 8.290 nan 0.000 0.480 156 I N 2.790 123.298 120.570 -0.104 0.000 2.315 156 I HA 0.125 4.296 4.170 0.001 0.000 0.291 156 I C 0.119 176.080 176.117 -0.262 0.000 1.006 156 I CA -0.579 60.636 61.300 -0.141 0.000 1.265 156 I CB 1.325 39.244 38.000 -0.135 0.000 1.387 156 I HN 0.446 nan 8.210 nan 0.000 0.475 157 N N 7.661 126.248 118.700 -0.189 0.000 2.719 157 N HA 0.170 4.910 4.740 0.001 0.000 0.243 157 N C -0.625 174.754 175.510 -0.219 0.000 1.104 157 N CA -0.252 52.630 53.050 -0.280 0.000 0.981 157 N CB 0.478 38.868 38.487 -0.161 0.000 1.290 157 N HN 0.336 nan 8.380 nan 0.000 0.513 158 F N -0.064 119.790 119.950 -0.161 0.000 2.384 158 F HA 0.320 4.848 4.527 0.001 0.000 0.338 158 F C 1.648 177.449 175.800 0.001 0.000 1.103 158 F CA -1.212 56.745 58.000 -0.071 0.000 1.157 158 F CB 0.488 39.441 39.000 -0.078 0.000 1.167 158 F HN 0.103 nan 8.300 nan 0.000 0.529 159 S N 1.122 117.004 115.700 0.304 0.000 2.406 159 S HA 0.431 4.902 4.470 0.001 0.000 0.228 159 S C 0.802 175.612 174.600 0.350 0.000 1.020 159 S CA 0.411 58.748 58.200 0.229 0.000 0.965 159 S CB -0.753 62.539 63.200 0.153 0.000 0.798 159 S HN 1.292 nan 8.310 nan 0.000 0.488 160 G N -0.396 108.678 108.800 0.456 0.000 2.559 160 G HA2 0.545 4.506 3.960 0.001 0.000 0.291 160 G HA3 0.545 4.506 3.960 0.001 0.000 0.291 160 G C -2.203 172.796 174.900 0.165 0.000 1.424 160 G CA -0.924 44.410 45.100 0.390 0.000 0.786 160 G HN 0.185 nan 8.290 nan 0.000 0.485 161 E N -0.594 119.662 120.200 0.094 0.000 2.187 161 E HA 0.585 4.936 4.350 0.001 0.000 0.268 161 E C -0.510 176.122 176.600 0.053 0.000 0.896 161 E CA -0.914 55.452 56.400 -0.057 0.000 0.766 161 E CB 2.799 32.417 29.700 -0.138 0.000 1.142 161 E HN 0.683 nan 8.360 nan 0.000 0.408 162 V N -0.728 119.157 119.914 -0.048 0.000 3.078 162 V HA 0.807 4.927 4.120 0.001 0.000 0.311 162 V C -0.524 175.494 176.094 -0.127 0.000 1.138 162 V CA -0.894 61.358 62.300 -0.081 0.000 1.007 162 V CB 1.873 33.619 31.823 -0.128 0.000 1.045 162 V HN 0.717 nan 8.190 nan 0.000 0.432 163 S N 2.521 118.157 115.700 -0.106 0.000 2.542 163 S HA 0.865 5.335 4.470 0.001 0.000 0.293 163 S C -1.119 173.445 174.600 -0.060 0.000 1.089 163 S CA -0.717 57.413 58.200 -0.116 0.000 0.961 163 S CB 1.807 64.935 63.200 -0.121 0.000 1.062 163 S HN 1.531 nan 8.310 nan 0.000 0.483 164 L N 2.741 123.923 121.223 -0.068 0.000 2.333 164 L HA 0.771 5.112 4.340 0.001 0.000 0.280 164 L C -1.389 175.524 176.870 0.071 0.000 1.004 164 L CA -0.444 54.408 54.840 0.020 0.000 0.820 164 L CB 1.586 43.632 42.059 -0.021 0.000 1.247 164 L HN 0.687 nan 8.230 nan 0.000 0.416 165 V N 4.878 124.908 119.914 0.194 0.000 2.495 165 V HA 0.978 5.098 4.120 0.001 0.000 0.298 165 V C 0.438 176.725 176.094 0.321 0.000 1.031 165 V CA 0.063 62.492 62.300 0.216 0.000 0.871 165 V CB 1.048 32.983 31.823 0.186 0.000 0.988 165 V HN 0.960 nan 8.190 nan 0.000 0.432 166 G N 2.328 111.227 108.800 0.166 0.000 2.749 166 G HA2 0.915 4.876 3.960 0.001 0.000 0.300 166 G HA3 0.915 4.876 3.960 0.001 0.000 0.300 166 G C -1.376 173.418 174.900 -0.177 0.000 1.352 166 G CA -0.070 44.955 45.100 -0.126 0.000 0.789 166 G HN 1.157 nan 8.290 nan 0.000 0.509 167 A N -0.684 121.896 122.820 -0.400 0.000 2.594 167 A HA 0.928 5.249 4.320 0.001 0.000 0.291 167 A C -0.905 176.531 177.584 -0.245 0.000 1.105 167 A CA -0.615 51.301 52.037 -0.202 0.000 0.694 167 A CB 2.063 20.964 19.000 -0.165 0.000 1.291 167 A HN 0.797 nan 8.150 nan 0.000 0.410 168 R N 0.007 120.431 120.500 -0.126 0.000 2.673 168 R HA 0.586 4.927 4.340 0.001 0.000 0.281 168 R C -0.057 176.130 176.300 -0.188 0.000 0.991 168 R CA -0.145 55.878 56.100 -0.129 0.000 0.896 168 R CB 2.168 32.446 30.300 -0.038 0.000 1.201 168 R HN 1.144 nan 8.270 nan 0.000 0.457 169 G N 1.111 109.816 108.800 -0.159 0.000 2.521 169 G HA2 0.258 4.218 3.960 0.001 0.000 0.323 169 G HA3 0.258 4.218 3.960 0.001 0.000 0.323 169 G C 0.092 174.893 174.900 -0.164 0.000 1.211 169 G CA -0.550 44.448 45.100 -0.171 0.000 0.979 169 G HN 0.533 nan 8.290 nan 0.000 0.490 170 F N 0.192 120.113 119.950 -0.049 0.000 2.307 170 F HA -0.049 4.479 4.527 0.001 0.000 0.301 170 F C 2.425 178.212 175.800 -0.021 0.000 1.076 170 F CA 1.645 59.624 58.000 -0.035 0.000 1.383 170 F CB 0.251 39.232 39.000 -0.033 0.000 1.055 170 F HN 0.473 nan 8.300 nan 0.000 0.526 171 D N -1.181 119.306 120.400 0.144 0.000 2.325 171 D HA 0.113 4.754 4.640 0.001 0.000 0.225 171 D C 1.691 178.016 176.300 0.042 0.000 1.096 171 D CA 0.782 54.831 54.000 0.082 0.000 0.844 171 D CB -0.396 40.441 40.800 0.062 0.000 0.925 171 D HN 0.284 nan 8.370 nan 0.000 0.513 172 G N 0.039 108.853 108.800 0.023 0.000 2.160 172 G HA2 -0.265 3.695 3.960 0.001 0.000 0.251 172 G HA3 -0.265 3.695 3.960 0.001 0.000 0.251 172 G C 0.086 174.987 174.900 0.000 0.000 1.008 172 G CA 0.327 45.434 45.100 0.011 0.000 0.724 172 G HN 0.412 nan 8.290 nan 0.000 0.514 173 S N 0.357 116.046 115.700 -0.018 0.000 2.525 173 S HA 0.759 5.229 4.470 0.001 0.000 0.278 173 S C 0.538 175.087 174.600 -0.085 0.000 1.234 173 S CA 0.293 58.473 58.200 -0.033 0.000 1.058 173 S CB 1.656 64.838 63.200 -0.031 0.000 0.983 173 S HN 1.102 nan 8.310 nan 0.000 0.495 174 T N -0.708 113.784 114.554 -0.104 0.000 2.916 174 T HA 0.863 5.213 4.350 0.001 0.000 0.292 174 T C -0.567 173.887 174.700 -0.410 0.000 1.064 174 T CA -0.864 61.073 62.100 -0.273 0.000 1.011 174 T CB 1.225 69.960 68.868 -0.221 0.000 1.152 174 T HN 0.631 nan 8.240 nan 0.000 0.510 175 V N -1.170 118.254 119.914 -0.816 0.000 3.048 175 V HA 0.880 5.001 4.120 0.001 0.000 0.303 175 V C -1.723 173.711 176.094 -1.100 0.000 1.214 175 V CA -1.331 60.566 62.300 -0.672 0.000 0.984 175 V CB 1.345 32.927 31.823 -0.402 0.000 1.054 175 V HN 0.957 nan 8.190 nan 0.000 0.430 176 F N 0.665 120.499 119.950 -0.193 0.000 2.613 176 F HA 0.815 5.342 4.527 0.001 0.000 0.314 176 F C -0.599 175.052 175.800 -0.250 0.000 1.075 176 F CA -0.853 57.039 58.000 -0.180 0.000 0.945 176 F CB 1.815 40.781 39.000 -0.057 0.000 1.310 176 F HN 0.522 nan 8.300 nan 0.000 0.467 177 Y N 1.368 121.811 120.300 0.239 0.000 2.432 177 Y HA 0.485 5.036 4.550 0.001 0.000 0.322 177 Y C -2.073 173.976 175.900 0.249 0.000 1.246 177 Y CA -2.260 55.975 58.100 0.226 0.000 1.268 177 Y CB 0.411 38.988 38.460 0.196 0.000 1.276 177 Y HN 0.223 nan 8.280 nan 0.000 0.499 178 P HA 0.080 nan 4.420 nan 0.000 0.272 178 P C -0.778 176.657 177.300 0.224 0.000 1.230 178 P CA -0.217 63.038 63.100 0.259 0.000 0.788 178 P CB 0.563 32.397 31.700 0.223 0.000 0.949 179 L N 0.797 122.073 121.223 0.087 0.000 2.490 179 L HA 0.127 4.468 4.340 0.001 0.000 0.274 179 L C 0.915 177.726 176.870 -0.098 0.000 1.201 179 L CA 0.645 55.478 54.840 -0.012 0.000 0.869 179 L CB -0.511 41.484 42.059 -0.106 0.000 1.123 179 L HN 0.307 nan 8.230 nan 0.000 0.484 180 T N 1.497 116.002 114.554 -0.081 0.000 2.824 180 T HA 0.323 4.673 4.350 0.001 0.000 0.280 180 T C -0.307 174.260 174.700 -0.223 0.000 0.995 180 T CA -0.607 61.426 62.100 -0.110 0.000 1.009 180 T CB 0.703 69.657 68.868 0.143 0.000 0.955 180 T HN 0.336 nan 8.240 nan 0.000 0.452 181 H N 3.317 122.464 119.070 0.129 0.000 2.723 181 H HA 0.322 4.878 4.556 0.001 0.000 0.294 181 H C -0.160 175.383 175.328 0.357 0.000 1.079 181 H CA -0.256 55.943 56.048 0.252 0.000 1.411 181 H CB 0.528 30.456 29.762 0.276 0.000 1.439 181 H HN 0.584 nan 8.280 nan 0.000 0.474 182 N N 2.354 121.237 118.700 0.306 0.000 2.370 182 N HA 0.387 5.128 4.740 0.001 0.000 0.303 182 N C -1.020 174.386 175.510 -0.172 0.000 1.103 182 N CA -0.830 52.270 53.050 0.083 0.000 0.848 182 N CB 2.183 40.693 38.487 0.040 0.000 1.235 182 N HN 0.312 nan 8.380 nan 0.000 0.496 183 L N 1.629 122.515 121.223 -0.562 0.000 2.372 183 L HA 0.460 4.800 4.340 0.001 0.000 0.273 183 L C -1.434 175.097 176.870 -0.566 0.000 0.989 183 L CA -0.421 53.956 54.840 -0.773 0.000 0.841 183 L CB 0.627 41.759 42.059 -1.546 0.000 1.225 183 L HN 0.637 nan 8.230 nan 0.000 0.414 184 H N 3.069 122.003 119.070 -0.227 0.000 2.483 184 H HA 0.735 5.292 4.556 0.001 0.000 0.338 184 H C -0.821 174.436 175.328 -0.119 0.000 1.152 184 H CA -0.349 55.624 56.048 -0.125 0.000 1.264 184 H CB 1.358 31.094 29.762 -0.044 0.000 1.510 184 H HN 0.538 nan 8.280 nan 0.000 0.530 185 Q N 1.364 121.170 119.800 0.011 0.000 2.334 185 Q HA 0.171 4.512 4.340 0.001 0.000 0.249 185 Q C -1.170 174.822 176.000 -0.012 0.000 0.909 185 Q CA -0.574 55.214 55.803 -0.026 0.000 0.823 185 Q CB 1.888 30.576 28.738 -0.085 0.000 1.353 185 Q HN 0.733 nan 8.270 nan 0.000 0.433 186 D N 1.390 121.789 120.400 -0.002 0.000 2.947 186 D HA -0.188 4.452 4.640 0.001 0.000 0.224 186 D C 0.859 177.158 176.300 -0.002 0.000 1.132 186 D CA 1.912 55.904 54.000 -0.013 0.000 0.801 186 D CB -1.167 39.616 40.800 -0.030 0.000 1.097 186 D HN 1.070 nan 8.370 nan 0.000 0.431 187 G N -1.062 107.758 108.800 0.032 0.000 2.284 187 G HA2 -0.339 3.621 3.960 0.001 0.000 0.247 187 G HA3 -0.339 3.621 3.960 0.001 0.000 0.247 187 G C 0.492 175.469 174.900 0.129 0.000 1.012 187 G CA 0.299 45.423 45.100 0.041 0.000 0.618 187 G HN 0.533 nan 8.290 nan 0.000 0.521 188 I N 1.477 122.105 120.570 0.096 0.000 2.519 188 I HA 0.423 4.594 4.170 0.001 0.000 0.287 188 I C 0.714 176.836 176.117 0.009 0.000 1.047 188 I CA -0.809 60.535 61.300 0.074 0.000 1.381 188 I CB 1.324 39.317 38.000 -0.012 0.000 1.417 188 I HN 0.169 nan 8.210 nan 0.000 0.540 189 L N 7.026 128.174 121.223 -0.126 0.000 2.331 189 L HA 0.237 4.578 4.340 0.001 0.000 0.278 189 L C 0.886 177.591 176.870 -0.276 0.000 1.106 189 L CA 0.587 55.122 54.840 -0.509 0.000 0.824 189 L CB 0.292 42.098 42.059 -0.422 0.000 1.142 189 L HN 0.549 nan 8.230 nan 0.000 0.443 190 R N 2.245 122.565 120.500 -0.299 0.000 2.310 190 R HA 0.308 4.648 4.340 0.001 0.000 0.199 190 R C -0.284 175.968 176.300 -0.079 0.000 0.891 190 R CA 0.158 56.162 56.100 -0.160 0.000 1.060 190 R CB 0.677 30.870 30.300 -0.177 0.000 1.188 190 R HN 0.650 nan 8.270 nan 0.000 0.607 191 T N 0.507 114.982 114.554 -0.131 0.000 2.956 191 T HA 0.402 4.753 4.350 0.001 0.000 0.312 191 T C -1.096 173.664 174.700 0.100 0.000 1.151 191 T CA -0.502 61.623 62.100 0.042 0.000 1.024 191 T CB 2.568 71.551 68.868 0.192 0.000 1.140 191 T HN -0.080 nan 8.240 nan 0.000 0.473 192 S N 1.015 116.842 115.700 0.213 0.000 2.570 192 S HA 0.876 5.347 4.470 0.001 0.000 0.286 192 S C -1.025 173.697 174.600 0.203 0.000 1.099 192 S CA -0.803 57.539 58.200 0.236 0.000 0.913 192 S CB 1.997 65.292 63.200 0.159 0.000 1.085 192 S HN 0.540 nan 8.310 nan 0.000 0.480 193 V N 0.889 120.884 119.914 0.134 0.000 2.841 193 V HA 0.901 5.022 4.120 0.001 0.000 0.310 193 V C -0.723 175.184 176.094 -0.311 0.000 1.090 193 V CA -0.569 61.662 62.300 -0.116 0.000 0.930 193 V CB 1.839 33.571 31.823 -0.151 0.000 1.014 193 V HN 1.125 nan 8.190 nan 0.000 0.425 194 A N 3.744 126.142 122.820 -0.703 0.000 2.422 194 A HA 0.925 5.246 4.320 0.001 0.000 0.302 194 A C -1.499 175.619 177.584 -0.777 0.000 1.041 194 A CA -0.357 51.224 52.037 -0.760 0.000 0.708 194 A CB 1.182 19.346 19.000 -1.392 0.000 1.257 194 A HN 0.577 nan 8.150 nan 0.000 0.414 195 F N 2.388 122.223 119.950 -0.191 0.000 2.443 195 F HA 0.507 5.035 4.527 0.001 0.000 0.335 195 F C -1.428 174.339 175.800 -0.054 0.000 1.104 195 F CA -1.834 56.109 58.000 -0.095 0.000 1.013 195 F CB 1.861 40.825 39.000 -0.059 0.000 1.136 195 F HN 0.400 nan 8.300 nan 0.000 0.470 196 P HA -0.198 nan 4.420 nan 0.000 0.216 196 P C -0.217 177.170 177.300 0.144 0.000 1.150 196 P CA 1.398 64.580 63.100 0.135 0.000 0.843 196 P CB 0.256 32.035 31.700 0.130 0.000 0.787 197 Q N -0.749 119.141 119.800 0.151 0.000 2.454 197 Q HA 0.554 4.895 4.340 0.001 0.000 0.255 197 Q C -0.624 175.432 176.000 0.094 0.000 1.034 197 Q CA -0.674 55.192 55.803 0.106 0.000 0.736 197 Q CB 1.249 30.031 28.738 0.073 0.000 1.210 197 Q HN 0.014 nan 8.270 nan 0.000 0.500 198 A N 2.779 125.655 122.820 0.093 0.000 2.251 198 A HA 0.219 4.540 4.320 0.001 0.000 0.278 198 A C 0.144 177.745 177.584 0.029 0.000 1.206 198 A CA -0.512 51.570 52.037 0.075 0.000 0.822 198 A CB 0.303 19.344 19.000 0.068 0.000 1.187 198 A HN 0.792 nan 8.150 nan 0.000 0.504 199 N N 0.363 119.074 118.700 0.019 0.000 2.427 199 N HA 0.138 4.879 4.740 0.001 0.000 0.269 199 N C 1.228 176.734 175.510 -0.006 0.000 1.235 199 N CA 0.467 53.516 53.050 -0.002 0.000 0.934 199 N CB 0.931 39.417 38.487 -0.002 0.000 1.121 199 N HN 0.604 nan 8.380 nan 0.000 0.480 200 A N 5.093 127.908 122.820 -0.008 0.000 1.881 200 A HA -0.284 4.037 4.320 0.001 0.000 0.219 200 A C 2.006 179.577 177.584 -0.021 0.000 1.215 200 A CA 1.630 53.660 52.037 -0.010 0.000 0.648 200 A CB -0.463 18.532 19.000 -0.008 0.000 0.832 200 A HN 0.847 nan 8.150 nan 0.000 0.455 201 Q N -0.753 119.035 119.800 -0.021 0.000 2.084 201 Q HA -0.249 4.092 4.340 0.001 0.000 0.202 201 Q C 2.124 178.103 176.000 -0.035 0.000 0.978 201 Q CA 1.871 57.658 55.803 -0.026 0.000 0.844 201 Q CB -0.671 28.055 28.738 -0.020 0.000 0.898 201 Q HN 0.871 nan 8.270 nan 0.000 0.426 202 Q N 0.669 120.452 119.800 -0.029 0.000 2.002 202 Q HA -0.249 4.091 4.340 0.001 0.000 0.204 202 Q C 2.249 178.215 176.000 -0.058 0.000 0.988 202 Q CA 1.970 57.752 55.803 -0.035 0.000 0.843 202 Q CB -0.000 28.729 28.738 -0.015 0.000 0.908 202 Q HN 0.286 nan 8.270 nan 0.000 0.420 203 Q N -0.061 119.709 119.800 -0.050 0.000 2.077 203 Q HA -0.199 4.142 4.340 0.001 0.000 0.206 203 Q C 1.757 177.687 176.000 -0.116 0.000 0.989 203 Q CA 2.156 57.919 55.803 -0.068 0.000 0.853 203 Q CB -0.543 28.177 28.738 -0.029 0.000 0.907 203 Q HN 0.454 nan 8.270 nan 0.000 0.418 204 A N 0.147 122.912 122.820 -0.091 0.000 1.877 204 A HA -0.199 4.122 4.320 0.001 0.000 0.216 204 A C 2.130 179.634 177.584 -0.132 0.000 1.186 204 A CA 1.868 53.841 52.037 -0.108 0.000 0.620 204 A CB -0.685 18.275 19.000 -0.067 0.000 0.822 204 A HN 0.374 nan 8.150 nan 0.000 0.443 205 R N 0.272 120.710 120.500 -0.104 0.000 2.091 205 R HA -0.063 4.278 4.340 0.001 0.000 0.238 205 R C 2.123 178.340 176.300 -0.139 0.000 1.136 205 R CA 2.108 58.148 56.100 -0.101 0.000 0.959 205 R CB -0.913 29.343 30.300 -0.073 0.000 0.856 205 R HN 0.390 nan 8.270 nan 0.000 0.437 206 A N 0.543 123.269 122.820 -0.157 0.000 1.877 206 A HA -0.173 4.148 4.320 0.001 0.000 0.216 206 A C 2.087 179.503 177.584 -0.280 0.000 1.186 206 A CA 1.737 53.658 52.037 -0.193 0.000 0.620 206 A CB -0.622 18.274 19.000 -0.173 0.000 0.822 206 A HN 0.558 nan 8.150 nan 0.000 0.443 207 E N -0.721 119.246 120.200 -0.389 0.000 2.058 207 E HA -0.258 4.093 4.350 0.001 0.000 0.194 207 E C 2.061 178.394 176.600 -0.445 0.000 0.997 207 E CA 1.466 57.447 56.400 -0.698 0.000 0.801 207 E CB -0.155 29.110 29.700 -0.724 0.000 0.746 207 E HN 0.772 nan 8.360 nan 0.000 0.450 208 E N 0.300 120.350 120.200 -0.251 0.000 2.070 208 E HA -0.242 4.109 4.350 0.001 0.000 0.197 208 E C 2.082 178.619 176.600 -0.104 0.000 1.004 208 E CA 1.453 57.771 56.400 -0.137 0.000 0.805 208 E CB -0.007 29.632 29.700 -0.103 0.000 0.744 208 E HN 0.188 nan 8.360 nan 0.000 0.451 209 M N -0.294 119.230 119.600 -0.126 0.000 2.065 209 M HA -0.192 4.288 4.480 0.001 0.000 0.259 209 M C 2.243 178.491 176.300 -0.087 0.000 1.069 209 M CA 1.075 56.310 55.300 -0.109 0.000 1.110 209 M CB -0.168 32.343 32.600 -0.149 0.000 1.328 209 M HN 0.204 nan 8.290 nan 0.000 0.405 210 L N -0.158 121.001 121.223 -0.106 0.000 2.017 210 L HA -0.155 4.186 4.340 0.001 0.000 0.208 210 L C 2.459 179.374 176.870 0.076 0.000 1.073 210 L CA 2.058 56.888 54.840 -0.017 0.000 0.745 210 L CB -0.794 41.285 42.059 0.033 0.000 0.894 210 L HN 0.281 nan 8.230 nan 0.000 0.432 211 S N 0.051 115.814 115.700 0.106 0.000 2.356 211 S HA -0.187 4.283 4.470 0.001 0.000 0.223 211 S C 2.159 176.805 174.600 0.078 0.000 1.032 211 S CA 1.053 59.350 58.200 0.163 0.000 1.005 211 S CB -1.090 62.211 63.200 0.167 0.000 0.867 211 S HN 0.585 nan 8.310 nan 0.000 0.449 212 A N 1.961 124.804 122.820 0.039 0.000 1.892 212 A HA -0.084 4.236 4.320 0.001 0.000 0.218 212 A C 2.191 179.795 177.584 0.033 0.000 1.188 212 A CA 1.568 53.624 52.037 0.032 0.000 0.631 212 A CB -0.874 18.138 19.000 0.021 0.000 0.822 212 A HN 0.497 nan 8.150 nan 0.000 0.447 213 I N -0.985 119.601 120.570 0.027 0.000 2.142 213 I HA -0.304 3.867 4.170 0.001 0.000 0.240 213 I C 2.785 178.903 176.117 0.001 0.000 1.078 213 I CA 1.704 63.015 61.300 0.018 0.000 1.343 213 I CB -0.359 37.651 38.000 0.016 0.000 1.046 213 I HN 0.357 nan 8.210 nan 0.000 0.405 214 M N 0.048 119.655 119.600 0.013 0.000 2.149 214 M HA -0.284 4.196 4.480 0.001 0.000 0.261 214 M C 2.375 178.707 176.300 0.054 0.000 1.064 214 M CA 2.052 57.370 55.300 0.029 0.000 1.102 214 M CB -0.434 32.212 32.600 0.076 0.000 1.369 214 M HN 0.370 nan 8.290 nan 0.000 0.408 215 Q N 0.437 120.266 119.800 0.049 0.000 2.163 215 Q HA -0.188 4.153 4.340 0.001 0.000 0.198 215 Q C 1.697 177.717 176.000 0.034 0.000 0.954 215 Q CA 1.620 57.449 55.803 0.044 0.000 0.851 215 Q CB -0.207 28.557 28.738 0.044 0.000 0.928 215 Q HN 0.446 nan 8.270 nan 0.000 0.459 216 E N 1.136 121.352 120.200 0.027 0.000 2.077 216 E HA -0.155 4.196 4.350 0.001 0.000 0.193 216 E C 1.776 178.382 176.600 0.011 0.000 0.989 216 E CA 1.469 57.880 56.400 0.019 0.000 0.800 216 E CB -0.339 29.371 29.700 0.016 0.000 0.746 216 E HN 0.547 nan 8.360 nan 0.000 0.452 217 L N -0.461 120.766 121.223 0.006 0.000 2.395 217 L HA 0.152 4.493 4.340 0.001 0.000 0.218 217 L C 1.435 178.325 176.870 0.032 0.000 1.130 217 L CA 0.434 55.274 54.840 0.001 0.000 0.826 217 L CB -0.401 41.642 42.059 -0.027 0.000 0.941 217 L HN 0.507 nan 8.230 nan 0.000 0.451 218 G N -0.308 108.519 108.800 0.044 0.000 2.221 218 G HA2 -0.359 3.602 3.960 0.001 0.000 0.265 218 G HA3 -0.359 3.602 3.960 0.001 0.000 0.265 218 G C 0.008 174.939 174.900 0.052 0.000 1.041 218 G CA 0.062 45.189 45.100 0.045 0.000 0.807 218 G HN 0.352 nan 8.290 nan 0.000 0.502 219 Y N -0.364 119.883 120.300 -0.090 0.000 2.336 219 Y HA 0.502 5.053 4.550 0.001 0.000 0.331 219 Y C 0.258 176.048 175.900 -0.183 0.000 1.211 219 Y CA -0.296 57.727 58.100 -0.129 0.000 1.346 219 Y CB 1.312 39.702 38.460 -0.116 0.000 1.271 219 Y HN 0.176 nan 8.280 nan 0.000 0.538 220 V N 5.684 125.170 119.914 -0.714 0.000 2.525 220 V HA 0.763 4.883 4.120 0.001 0.000 0.299 220 V C 0.105 175.678 176.094 -0.869 0.000 1.034 220 V CA 0.191 62.033 62.300 -0.763 0.000 0.863 220 V CB 0.739 31.898 31.823 -1.105 0.000 0.999 220 V HN 1.207 nan 8.190 nan 0.000 0.423 221 G N 3.932 112.424 108.800 -0.513 0.000 2.318 221 G HA2 0.065 4.026 3.960 0.001 0.000 0.367 221 G HA3 0.065 4.026 3.960 0.001 0.000 0.367 221 G C -1.200 173.805 174.900 0.175 0.000 1.260 221 G CA -0.347 44.622 45.100 -0.218 0.000 1.055 221 G HN 0.724 nan 8.290 nan 0.000 0.484 222 V N 1.397 121.587 119.914 0.460 0.000 2.432 222 V HA 0.678 4.799 4.120 0.001 0.000 0.275 222 V C 0.607 176.887 176.094 0.311 0.000 1.043 222 V CA 0.318 62.790 62.300 0.288 0.000 0.925 222 V CB 1.225 33.128 31.823 0.133 0.000 0.985 222 V HN 0.945 nan 8.190 nan 0.000 0.466 223 M N 5.413 125.117 119.600 0.172 0.000 2.395 223 M HA 0.847 5.328 4.480 0.001 0.000 0.307 223 M C -0.619 175.648 176.300 -0.055 0.000 1.091 223 M CA -0.412 54.857 55.300 -0.052 0.000 0.919 223 M CB 1.922 34.281 32.600 -0.402 0.000 1.662 223 M HN 0.638 nan 8.290 nan 0.000 0.440 224 A N 5.137 127.893 122.820 -0.106 0.000 2.312 224 A HA 0.780 5.101 4.320 0.001 0.000 0.328 224 A C -1.003 176.452 177.584 -0.215 0.000 1.158 224 A CA -0.831 51.102 52.037 -0.174 0.000 0.821 224 A CB 1.185 19.985 19.000 -0.332 0.000 1.170 224 A HN 1.004 nan 8.150 nan 0.000 0.490 225 M N 2.450 121.925 119.600 -0.208 0.000 2.053 225 M HA 0.308 4.789 4.480 0.001 0.000 0.297 225 M C -0.955 175.183 176.300 -0.271 0.000 0.921 225 M CA -0.051 55.118 55.300 -0.218 0.000 0.918 225 M CB 0.842 33.337 32.600 -0.175 0.000 1.499 225 M HN 0.785 nan 8.290 nan 0.000 0.422 226 E N 3.322 123.329 120.200 -0.321 0.000 2.289 226 E HA 0.357 4.707 4.350 0.001 0.000 0.278 226 E C -1.062 175.270 176.600 -0.448 0.000 1.032 226 E CA -0.206 55.978 56.400 -0.361 0.000 0.854 226 E CB 1.311 30.797 29.700 -0.357 0.000 1.046 226 E HN 0.709 nan 8.360 nan 0.000 0.409 227 C N 2.548 121.578 119.300 -0.449 0.000 3.044 227 C HA 0.585 5.046 4.460 0.001 0.000 0.315 227 C C -1.040 173.634 174.990 -0.526 0.000 1.320 227 C CA -0.839 57.890 59.018 -0.482 0.000 1.582 227 C CB 0.800 28.373 27.740 -0.278 0.000 2.039 227 C HN 0.605 nan 8.230 nan 0.000 0.466 228 F N 0.675 120.505 119.950 -0.201 0.000 2.508 228 F HA 0.591 5.119 4.527 0.001 0.000 0.325 228 F C 0.023 175.784 175.800 -0.066 0.000 1.090 228 F CA -0.950 56.914 58.000 -0.226 0.000 0.945 228 F CB 1.171 40.094 39.000 -0.129 0.000 1.156 228 F HN 0.140 nan 8.300 nan 0.000 0.463 229 V N 2.228 122.265 119.914 0.204 0.000 2.364 229 V HA 0.571 4.691 4.120 0.001 0.000 0.272 229 V C 0.031 176.256 176.094 0.219 0.000 1.036 229 V CA -0.422 61.981 62.300 0.172 0.000 0.880 229 V CB 0.997 32.913 31.823 0.154 0.000 0.991 229 V HN 0.898 nan 8.190 nan 0.000 0.460 230 T N 2.759 117.408 114.554 0.158 0.000 2.906 230 T HA 0.521 4.872 4.350 0.001 0.000 0.295 230 T C -2.071 172.678 174.700 0.081 0.000 1.075 230 T CA -2.087 60.092 62.100 0.131 0.000 1.005 230 T CB 2.440 71.388 68.868 0.132 0.000 1.136 230 T HN 0.315 nan 8.240 nan 0.000 0.498 231 P HA -0.130 nan 4.420 nan 0.000 0.217 231 P C 1.013 178.334 177.300 0.036 0.000 1.148 231 P CA 1.321 64.445 63.100 0.042 0.000 0.828 231 P CB -0.043 31.676 31.700 0.031 0.000 0.783 232 Q N -1.348 118.477 119.800 0.041 0.000 2.424 232 Q HA 0.376 4.717 4.340 0.001 0.000 0.204 232 Q C 1.194 177.214 176.000 0.032 0.000 0.933 232 Q CA 0.641 56.465 55.803 0.034 0.000 0.929 232 Q CB 0.046 28.806 28.738 0.036 0.000 1.037 232 Q HN 0.230 nan 8.270 nan 0.000 0.511 233 G N -0.036 108.789 108.800 0.041 0.000 2.250 233 G HA2 -0.031 3.930 3.960 0.001 0.000 0.252 233 G HA3 -0.031 3.930 3.960 0.001 0.000 0.252 233 G C -1.690 173.234 174.900 0.041 0.000 1.325 233 G CA -1.158 43.961 45.100 0.031 0.000 1.091 233 G HN 0.044 nan 8.290 nan 0.000 0.476 234 L N 0.624 121.853 121.223 0.010 0.000 2.326 234 L HA 0.699 5.040 4.340 0.001 0.000 0.278 234 L C 0.019 176.873 176.870 -0.027 0.000 1.092 234 L CA -0.475 54.358 54.840 -0.011 0.000 0.810 234 L CB 1.127 43.150 42.059 -0.059 0.000 1.153 234 L HN 0.401 nan 8.230 nan 0.000 0.439 235 L N 4.405 125.616 121.223 -0.019 0.000 2.381 235 L HA 0.493 4.833 4.340 0.001 0.000 0.274 235 L C -0.250 176.496 176.870 -0.206 0.000 0.988 235 L CA -0.634 54.180 54.840 -0.043 0.000 0.824 235 L CB 2.315 44.442 42.059 0.113 0.000 1.263 235 L HN 0.480 nan 8.230 nan 0.000 0.410 236 I N 2.609 122.975 120.570 -0.340 0.000 2.648 236 I HA -0.073 4.097 4.170 0.001 0.000 0.284 236 I C 0.930 176.749 176.117 -0.497 0.000 1.153 236 I CA 0.515 61.487 61.300 -0.546 0.000 1.426 236 I CB 0.785 38.218 38.000 -0.945 0.000 1.381 236 I HN 0.702 nan 8.210 nan 0.000 0.571 237 N N 4.499 122.860 118.700 -0.564 0.000 2.622 237 N HA 0.105 4.845 4.740 0.001 0.000 0.213 237 N C -0.026 175.347 175.510 -0.228 0.000 1.037 237 N CA 0.438 53.179 53.050 -0.515 0.000 0.999 237 N CB 0.515 38.340 38.487 -1.104 0.000 1.342 237 N HN 0.676 nan 8.380 nan 0.000 0.465 238 E N -0.849 119.205 120.200 -0.242 0.000 2.429 238 E HA 0.431 4.782 4.350 0.001 0.000 0.276 238 E C -1.972 174.580 176.600 -0.079 0.000 0.953 238 E CA -0.783 55.563 56.400 -0.089 0.000 0.787 238 E CB 1.274 30.900 29.700 -0.124 0.000 1.307 238 E HN 0.063 nan 8.360 nan 0.000 0.458 239 L N 1.379 122.593 121.223 -0.015 0.000 2.362 239 L HA 0.774 5.115 4.340 0.001 0.000 0.271 239 L C -1.297 175.533 176.870 -0.068 0.000 1.002 239 L CA -0.498 54.312 54.840 -0.050 0.000 0.818 239 L CB 1.821 43.877 42.059 -0.006 0.000 1.298 239 L HN 0.607 nan 8.230 nan 0.000 0.420 240 A N 4.424 127.191 122.820 -0.089 0.000 2.457 240 A HA 0.717 5.038 4.320 0.001 0.000 0.283 240 A C -2.546 175.015 177.584 -0.038 0.000 1.166 240 A CA -1.063 50.970 52.037 -0.006 0.000 0.740 240 A CB 1.067 20.144 19.000 0.130 0.000 1.181 240 A HN 0.445 nan 8.150 nan 0.000 0.446 241 P HA 0.230 nan 4.420 nan 0.000 0.225 241 P C -0.350 177.098 177.300 0.247 0.000 1.768 241 P CA 0.268 63.348 63.100 -0.032 0.000 0.943 241 P CB -0.811 30.867 31.700 -0.036 0.000 1.936 242 R N -1.840 118.746 120.500 0.143 0.000 3.084 242 R HA 0.319 4.660 4.340 0.001 0.000 0.280 242 R C -1.007 175.258 176.300 -0.057 0.000 0.935 242 R CA -1.080 55.042 56.100 0.036 0.000 0.815 242 R CB -0.377 29.984 30.300 0.101 0.000 1.457 242 R HN -0.167 nan 8.270 nan 0.000 0.499 243 V N -0.668 119.130 119.914 -0.193 0.000 2.673 243 V HA 0.284 4.405 4.120 0.001 0.000 0.303 243 V C 0.128 176.164 176.094 -0.097 0.000 1.046 243 V CA 0.145 62.296 62.300 -0.248 0.000 1.126 243 V CB 0.443 31.983 31.823 -0.472 0.000 0.934 243 V HN 0.681 nan 8.190 nan 0.000 0.487 244 H N 3.571 122.502 119.070 -0.231 0.000 2.569 244 H HA 0.307 4.863 4.556 0.001 0.000 0.357 244 H C 0.885 175.997 175.328 -0.359 0.000 1.153 244 H CA -0.156 55.773 56.048 -0.198 0.000 1.193 244 H CB 2.090 31.758 29.762 -0.156 0.000 1.602 244 H HN 0.919 nan 8.280 nan 0.000 0.523 245 N N 1.164 119.335 118.700 -0.881 0.000 2.334 245 N HA -0.202 4.539 4.740 0.001 0.000 0.187 245 N C 1.442 176.467 175.510 -0.808 0.000 1.016 245 N CA 1.320 53.693 53.050 -1.129 0.000 0.879 245 N CB 0.233 38.312 38.487 -0.681 0.000 0.965 245 N HN 0.560 nan 8.380 nan 0.000 0.438 246 S N -1.279 114.291 115.700 -0.216 0.000 2.461 246 S HA 0.035 4.506 4.470 0.001 0.000 0.228 246 S C 1.734 176.328 174.600 -0.010 0.000 1.005 246 S CA 0.691 58.903 58.200 0.019 0.000 0.942 246 S CB 0.015 63.341 63.200 0.211 0.000 0.776 246 S HN 0.318 nan 8.310 nan 0.000 0.514 247 G N 0.030 108.704 108.800 -0.210 0.000 3.141 247 G HA2 0.125 4.086 3.960 0.001 0.000 0.218 247 G HA3 0.125 4.086 3.960 0.001 0.000 0.218 247 G C 0.833 175.403 174.900 -0.551 0.000 1.170 247 G CA -0.225 44.585 45.100 -0.485 0.000 0.769 247 G HN 0.505 nan 8.290 nan 0.000 0.546 248 H N 0.388 119.249 119.070 -0.349 0.000 2.489 248 H HA -0.098 4.459 4.556 0.001 0.000 0.293 248 H C 2.275 177.474 175.328 -0.215 0.000 1.066 248 H CA 0.606 56.482 56.048 -0.287 0.000 1.305 248 H CB -0.289 29.151 29.762 -0.536 0.000 1.386 248 H HN 0.858 nan 8.280 nan 0.000 0.551 249 W N 1.868 123.154 121.300 -0.024 0.000 2.525 249 W HA -0.117 4.544 4.660 0.001 0.000 0.259 249 W C 1.295 177.786 176.519 -0.047 0.000 1.253 249 W CA 1.329 58.666 57.345 -0.012 0.000 1.262 249 W CB -1.172 28.277 29.460 -0.020 0.000 1.122 249 W HN 0.182 nan 8.180 nan 0.000 0.607 250 T N -0.619 113.347 114.554 -0.980 0.000 2.881 250 T HA -0.268 4.083 4.350 0.001 0.000 0.270 250 T C 1.747 176.279 174.700 -0.280 0.000 1.068 250 T CA 1.804 63.338 62.100 -0.944 0.000 1.131 250 T CB -0.694 67.384 68.868 -1.316 0.000 0.871 250 T HN 0.290 nan 8.240 nan 0.000 0.479 251 Q N 1.309 121.034 119.800 -0.126 0.000 2.133 251 Q HA -0.162 4.179 4.340 0.001 0.000 0.208 251 Q C 1.593 177.599 176.000 0.009 0.000 0.991 251 Q CA 2.197 58.007 55.803 0.011 0.000 0.867 251 Q CB -0.212 28.526 28.738 -0.001 0.000 0.911 251 Q HN 0.738 nan 8.270 nan 0.000 0.417 252 N N -2.593 116.111 118.700 0.007 0.000 2.166 252 N HA 0.105 4.845 4.740 0.001 0.000 0.213 252 N C 0.784 176.332 175.510 0.063 0.000 1.222 252 N CA 0.379 53.400 53.050 -0.048 0.000 0.900 252 N CB 1.137 39.460 38.487 -0.273 0.000 1.055 252 N HN 0.143 nan 8.380 nan 0.000 0.515 253 G N -0.703 108.201 108.800 0.174 0.000 3.159 253 G HA2 0.580 4.541 3.960 0.001 0.000 0.232 253 G HA3 0.580 4.541 3.960 0.001 0.000 0.232 253 G C 0.020 175.131 174.900 0.351 0.000 1.116 253 G CA 0.038 45.339 45.100 0.336 0.000 0.767 253 G HN 0.287 nan 8.290 nan 0.000 0.547 254 A N -0.051 122.879 122.820 0.184 0.000 2.454 254 A HA 0.648 4.968 4.320 0.001 0.000 0.302 254 A C 1.341 179.004 177.584 0.132 0.000 1.079 254 A CA 0.451 52.606 52.037 0.197 0.000 0.731 254 A CB 1.116 20.244 19.000 0.215 0.000 1.299 254 A HN 0.540 nan 8.150 nan 0.000 0.413 255 S N 0.488 116.271 115.700 0.137 0.000 2.419 255 S HA -0.000 4.471 4.470 0.001 0.000 0.235 255 S C 0.446 175.097 174.600 0.084 0.000 1.019 255 S CA 1.523 59.782 58.200 0.097 0.000 0.982 255 S CB -0.559 62.692 63.200 0.085 0.000 0.789 255 S HN 0.583 nan 8.310 nan 0.000 0.490 256 I N 1.804 122.438 120.570 0.106 0.000 2.534 256 I HA 0.283 4.454 4.170 0.001 0.000 0.286 256 I C 0.045 176.250 176.117 0.146 0.000 1.094 256 I CA -0.590 60.771 61.300 0.101 0.000 1.055 256 I CB 2.257 40.300 38.000 0.073 0.000 1.225 256 I HN 0.210 nan 8.210 nan 0.000 0.435 257 S N 4.481 120.238 115.700 0.095 0.000 2.596 257 S HA 0.089 4.560 4.470 0.001 0.000 0.260 257 S C 1.103 175.734 174.600 0.052 0.000 1.336 257 S CA -0.020 58.200 58.200 0.033 0.000 0.993 257 S CB 1.054 64.327 63.200 0.121 0.000 0.923 257 S HN 0.789 nan 8.310 nan 0.000 0.567 258 Q N 0.398 120.092 119.800 -0.176 0.000 2.230 258 Q HA -0.046 4.295 4.340 0.001 0.000 0.202 258 Q C 1.386 177.269 176.000 -0.195 0.000 0.963 258 Q CA 1.193 56.881 55.803 -0.192 0.000 0.866 258 Q CB -0.590 27.860 28.738 -0.480 0.000 0.931 258 Q HN 0.749 nan 8.270 nan 0.000 0.452 259 F N 1.954 121.906 119.950 0.004 0.000 2.060 259 F HA -0.085 4.443 4.527 0.001 0.000 0.295 259 F C 2.409 178.253 175.800 0.073 0.000 1.120 259 F CA 1.449 59.469 58.000 0.033 0.000 1.205 259 F CB -0.445 38.546 39.000 -0.015 0.000 0.986 259 F HN 0.073 nan 8.300 nan 0.000 0.470 260 E N 0.284 120.627 120.200 0.237 0.000 2.114 260 E HA -0.277 4.074 4.350 0.001 0.000 0.199 260 E C 2.178 178.839 176.600 0.100 0.000 1.008 260 E CA 1.438 57.921 56.400 0.138 0.000 0.810 260 E CB -0.414 29.351 29.700 0.109 0.000 0.739 260 E HN 0.251 nan 8.360 nan 0.000 0.456 261 L N 0.244 121.526 121.223 0.098 0.000 2.046 261 L HA -0.206 4.135 4.340 0.001 0.000 0.208 261 L C 2.307 179.213 176.870 0.060 0.000 1.077 261 L CA 2.015 56.890 54.840 0.058 0.000 0.747 261 L CB -0.477 41.618 42.059 0.059 0.000 0.896 261 L HN 0.180 nan 8.230 nan 0.000 0.432 262 H N -0.799 118.271 119.070 0.000 0.000 2.321 262 H HA -0.151 4.406 4.556 0.001 0.000 0.300 262 H C 2.080 177.412 175.328 0.006 0.000 1.087 262 H CA 2.347 58.392 56.048 -0.004 0.000 1.319 262 H CB -0.219 29.555 29.762 0.021 0.000 1.379 262 H HN 0.336 nan 8.280 nan 0.000 0.501 263 L N -0.323 120.920 121.223 0.033 0.000 2.012 263 L HA -0.199 4.141 4.340 0.001 0.000 0.210 263 L C 2.770 179.614 176.870 -0.043 0.000 1.073 263 L CA 1.617 56.446 54.840 -0.018 0.000 0.748 263 L CB -0.465 41.623 42.059 0.048 0.000 0.891 263 L HN 0.224 nan 8.230 nan 0.000 0.431 264 R N 0.004 120.493 120.500 -0.019 0.000 2.094 264 R HA -0.210 4.131 4.340 0.001 0.000 0.239 264 R C 2.469 178.747 176.300 -0.036 0.000 1.137 264 R CA 1.706 57.796 56.100 -0.017 0.000 0.943 264 R CB -0.610 29.682 30.300 -0.013 0.000 0.850 264 R HN 0.414 nan 8.270 nan 0.000 0.433 265 A N 1.614 124.375 122.820 -0.097 0.000 1.858 265 A HA -0.172 4.149 4.320 0.001 0.000 0.216 265 A C 2.216 179.721 177.584 -0.131 0.000 1.190 265 A CA 1.796 53.742 52.037 -0.151 0.000 0.617 265 A CB -0.817 18.035 19.000 -0.247 0.000 0.827 265 A HN 0.518 nan 8.150 nan 0.000 0.443 266 I N -1.754 118.699 120.570 -0.194 0.000 2.394 266 I HA -0.119 4.052 4.170 0.001 0.000 0.251 266 I C 1.908 178.135 176.117 0.182 0.000 1.136 266 I CA 2.056 63.326 61.300 -0.050 0.000 1.425 266 I CB -0.924 36.962 38.000 -0.190 0.000 1.079 266 I HN 0.360 nan 8.210 nan 0.000 0.425 267 T N -2.987 111.618 114.554 0.086 0.000 3.144 267 T HA 0.083 4.433 4.350 0.001 0.000 0.249 267 T C 0.749 175.502 174.700 0.088 0.000 1.089 267 T CA 0.256 62.402 62.100 0.077 0.000 0.989 267 T CB -0.422 68.465 68.868 0.032 0.000 0.992 267 T HN 0.468 nan 8.240 nan 0.000 0.540 268 D N -0.105 120.401 120.400 0.176 0.000 2.870 268 D HA -0.117 4.524 4.640 0.001 0.000 0.228 268 D C -0.340 176.002 176.300 0.071 0.000 1.147 268 D CA 0.219 54.315 54.000 0.161 0.000 0.757 268 D CB -1.578 39.258 40.800 0.060 0.000 1.091 268 D HN 0.389 nan 8.370 nan 0.000 0.429 269 L N 0.007 121.258 121.223 0.047 0.000 2.488 269 L HA 0.551 4.892 4.340 0.001 0.000 0.249 269 L C -1.466 175.414 176.870 0.016 0.000 1.151 269 L CA -1.287 53.567 54.840 0.023 0.000 0.806 269 L CB -0.076 41.991 42.059 0.015 0.000 1.261 269 L HN -0.133 nan 8.230 nan 0.000 0.484 270 P HA 0.181 nan 4.420 nan 0.000 0.271 270 P C -0.939 176.353 177.300 -0.013 0.000 1.218 270 P CA -0.152 62.947 63.100 -0.000 0.000 0.780 270 P CB 0.517 32.218 31.700 0.000 0.000 0.901 271 L N 4.515 125.722 121.223 -0.026 0.000 2.637 271 L HA 0.384 4.725 4.340 0.001 0.000 0.241 271 L C -2.125 174.708 176.870 -0.061 0.000 1.398 271 L CA -1.820 52.988 54.840 -0.053 0.000 0.895 271 L CB 0.012 42.026 42.059 -0.075 0.000 1.183 271 L HN 0.272 nan 8.230 nan 0.000 0.497 272 P HA 0.215 nan 4.420 nan 0.000 0.276 272 P C -0.676 176.582 177.300 -0.070 0.000 1.252 272 P CA -0.605 62.469 63.100 -0.042 0.000 0.802 272 P CB 0.629 32.317 31.700 -0.020 0.000 1.035 273 Q N 1.765 121.528 119.800 -0.061 0.000 2.286 273 Q HA 0.223 4.563 4.340 0.001 0.000 0.267 273 Q C -2.159 173.804 176.000 -0.062 0.000 1.028 273 Q CA -1.457 54.298 55.803 -0.081 0.000 0.901 273 Q CB -0.619 28.098 28.738 -0.035 0.000 1.183 273 Q HN 0.243 nan 8.270 nan 0.000 0.392 274 P HA 0.033 nan 4.420 nan 0.000 0.269 274 P C -1.103 176.227 177.300 0.050 0.000 1.215 274 P CA -0.254 62.831 63.100 -0.024 0.000 0.780 274 P CB 0.655 32.344 31.700 -0.020 0.000 0.898 275 V N 2.894 122.863 119.914 0.093 0.000 2.394 275 V HA 0.284 4.405 4.120 0.001 0.000 0.282 275 V C 0.008 176.202 176.094 0.166 0.000 1.031 275 V CA -0.392 61.974 62.300 0.111 0.000 0.881 275 V CB 1.706 33.580 31.823 0.084 0.000 0.982 275 V HN 0.216 nan 8.190 nan 0.000 0.451 276 V N 5.409 125.434 119.914 0.186 0.000 2.447 276 V HA 0.441 4.561 4.120 0.001 0.000 0.292 276 V C 0.328 176.523 176.094 0.168 0.000 1.021 276 V CA -0.568 61.871 62.300 0.233 0.000 0.850 276 V CB 1.553 33.575 31.823 0.331 0.000 1.005 276 V HN 0.850 nan 8.190 nan 0.000 0.426 277 N N 2.988 121.776 118.700 0.146 0.000 2.454 277 N HA 0.128 4.868 4.740 0.001 0.000 0.177 277 N C 0.294 175.867 175.510 0.104 0.000 1.049 277 N CA 0.415 53.533 53.050 0.113 0.000 0.887 277 N CB 0.648 39.192 38.487 0.095 0.000 1.095 277 N HN 0.698 nan 8.380 nan 0.000 0.446 278 N N 0.523 119.284 118.700 0.102 0.000 2.531 278 N HA 0.447 5.187 4.740 0.001 0.000 0.290 278 N C -2.803 172.725 175.510 0.029 0.000 1.257 278 N CA -1.386 51.710 53.050 0.078 0.000 0.863 278 N CB 1.502 40.030 38.487 0.069 0.000 1.320 278 N HN -0.100 nan 8.380 nan 0.000 0.538 279 P HA 0.319 nan 4.420 nan 0.000 0.279 279 P C -1.034 176.166 177.300 -0.166 0.000 1.252 279 P CA -0.241 62.763 63.100 -0.160 0.000 0.811 279 P CB 1.022 32.700 31.700 -0.037 0.000 1.035 280 S N -0.455 115.055 115.700 -0.318 0.000 2.588 280 S HA 0.627 5.098 4.470 0.001 0.000 0.275 280 S C -1.030 173.465 174.600 -0.175 0.000 1.130 280 S CA -0.554 57.538 58.200 -0.181 0.000 0.855 280 S CB 1.553 64.707 63.200 -0.076 0.000 1.116 280 S HN 0.170 nan 8.310 nan 0.000 0.472 281 V N 2.564 122.470 119.914 -0.014 0.000 2.686 281 V HA 0.572 4.692 4.120 0.001 0.000 0.306 281 V C -0.649 175.527 176.094 0.137 0.000 1.065 281 V CA -0.535 61.797 62.300 0.054 0.000 0.894 281 V CB 1.882 33.750 31.823 0.075 0.000 1.004 281 V HN 0.907 nan 8.190 nan 0.000 0.424 282 M N 5.718 125.418 119.600 0.166 0.000 2.383 282 M HA 0.684 5.165 4.480 0.001 0.000 0.325 282 M C -1.931 174.471 176.300 0.169 0.000 1.092 282 M CA -0.546 54.876 55.300 0.204 0.000 0.961 282 M CB 1.701 34.433 32.600 0.220 0.000 1.672 282 M HN 0.617 nan 8.290 nan 0.000 0.438 283 I N 4.349 125.016 120.570 0.162 0.000 2.410 283 I HA 0.291 4.462 4.170 0.001 0.000 0.286 283 I C -0.530 175.673 176.117 0.142 0.000 1.009 283 I CA -0.826 60.550 61.300 0.127 0.000 1.111 283 I CB 1.690 39.724 38.000 0.057 0.000 1.262 283 I HN 0.653 nan 8.210 nan 0.000 0.443 284 N N 6.517 125.301 118.700 0.141 0.000 2.497 284 N HA 0.343 5.083 4.740 0.001 0.000 0.268 284 N C -0.813 174.822 175.510 0.209 0.000 1.171 284 N CA 0.013 53.153 53.050 0.150 0.000 0.948 284 N CB 1.036 39.569 38.487 0.077 0.000 1.069 284 N HN 0.433 nan 8.380 nan 0.000 0.460 285 L N 3.964 125.279 121.223 0.153 0.000 2.262 285 L HA 0.488 4.829 4.340 0.001 0.000 0.288 285 L C -0.133 176.838 176.870 0.167 0.000 1.035 285 L CA -0.414 54.543 54.840 0.194 0.000 0.820 285 L CB 0.520 42.634 42.059 0.091 0.000 1.204 285 L HN 0.320 nan 8.230 nan 0.000 0.424 286 I N 2.504 123.217 120.570 0.238 0.000 2.389 286 I HA 0.393 4.564 4.170 0.001 0.000 0.288 286 I C 1.149 177.349 176.117 0.139 0.000 0.999 286 I CA -0.190 61.178 61.300 0.113 0.000 1.129 286 I CB 1.865 39.869 38.000 0.007 0.000 1.288 286 I HN 0.774 nan 8.210 nan 0.000 0.444 287 G N 4.007 112.870 108.800 0.106 0.000 2.230 287 G HA2 -0.308 3.653 3.960 0.001 0.000 0.270 287 G HA3 -0.308 3.653 3.960 0.001 0.000 0.270 287 G C 0.254 175.265 174.900 0.185 0.000 0.987 287 G CA 0.799 45.968 45.100 0.115 0.000 0.664 287 G HN 0.647 nan 8.290 nan 0.000 0.539 288 S N 0.124 115.990 115.700 0.277 0.000 2.617 288 S HA 0.620 5.091 4.470 0.001 0.000 0.283 288 S C -0.347 174.489 174.600 0.393 0.000 1.189 288 S CA -0.964 57.432 58.200 0.326 0.000 1.036 288 S CB 2.205 65.644 63.200 0.398 0.000 1.014 288 S HN 0.203 nan 8.310 nan 0.000 0.522 289 D N 0.794 121.353 120.400 0.266 0.000 2.344 289 D HA 0.181 4.821 4.640 0.001 0.000 0.244 289 D C -0.124 176.134 176.300 -0.070 0.000 1.134 289 D CA -0.315 53.778 54.000 0.154 0.000 0.930 289 D CB 1.448 42.254 40.800 0.011 0.000 1.175 289 D HN 0.328 nan 8.370 nan 0.000 0.437 290 V N 2.467 122.026 119.914 -0.592 0.000 2.572 290 V HA 0.040 4.160 4.120 0.001 0.000 0.291 290 V C -0.134 175.237 176.094 -1.204 0.000 1.039 290 V CA -0.090 61.555 62.300 -1.093 0.000 1.055 290 V CB 0.780 31.524 31.823 -1.798 0.000 0.969 290 V HN 0.408 nan 8.190 nan 0.000 0.482 291 N N 5.963 123.470 118.700 -1.988 0.000 2.706 291 N HA 0.264 5.005 4.740 0.001 0.000 0.240 291 N C 0.092 174.717 175.510 -1.475 0.000 1.039 291 N CA -0.385 51.621 53.050 -1.740 0.000 0.888 291 N CB 0.447 37.802 38.487 -1.887 0.000 1.128 291 N HN 0.647 nan 8.380 nan 0.000 0.512 292 Y N 0.671 120.528 120.300 -0.739 0.000 2.538 292 Y HA -0.137 4.413 4.550 0.001 0.000 0.287 292 Y C 1.343 177.035 175.900 -0.347 0.000 1.157 292 Y CA 0.837 58.672 58.100 -0.442 0.000 1.338 292 Y CB 0.002 38.273 38.460 -0.314 0.000 0.970 292 Y HN 0.491 nan 8.280 nan 0.000 0.564 293 D N -1.618 118.598 120.400 -0.307 0.000 2.310 293 D HA -0.161 4.479 4.640 0.001 0.000 0.212 293 D C 1.606 177.871 176.300 -0.058 0.000 0.965 293 D CA 0.656 54.558 54.000 -0.163 0.000 0.879 293 D CB -0.375 40.330 40.800 -0.158 0.000 0.921 293 D HN 0.378 nan 8.370 nan 0.000 0.510 294 W N 0.089 121.359 121.300 -0.050 0.000 2.468 294 W HA -0.046 4.615 4.660 0.001 0.000 0.262 294 W C 1.321 177.815 176.519 -0.041 0.000 1.241 294 W CA -0.031 57.279 57.345 -0.058 0.000 1.232 294 W CB -0.653 28.756 29.460 -0.084 0.000 1.124 294 W HN 0.070 nan 8.180 nan 0.000 0.597 295 L N 0.637 121.951 121.223 0.152 0.000 2.610 295 L HA -0.029 4.312 4.340 0.001 0.000 0.232 295 L C 2.037 178.926 176.870 0.031 0.000 1.149 295 L CA 0.960 55.851 54.840 0.084 0.000 0.872 295 L CB -0.992 41.112 42.059 0.074 0.000 0.992 295 L HN -0.087 nan 8.230 nan 0.000 0.447 296 K N -0.384 120.036 120.400 0.033 0.000 2.283 296 K HA -0.007 4.313 4.320 0.001 0.000 0.202 296 K C 0.272 176.877 176.600 0.007 0.000 1.048 296 K CA 0.562 56.855 56.287 0.010 0.000 0.948 296 K CB -0.032 32.473 32.500 0.009 0.000 0.742 296 K HN 0.254 nan 8.250 nan 0.000 0.458 297 L N 2.257 123.492 121.223 0.019 0.000 2.262 297 L HA 0.199 4.540 4.340 0.001 0.000 0.288 297 L C -1.764 175.090 176.870 -0.026 0.000 1.035 297 L CA -1.928 52.912 54.840 0.001 0.000 0.820 297 L CB 1.023 43.089 42.059 0.010 0.000 1.204 297 L HN -0.187 nan 8.230 nan 0.000 0.424 298 P HA -0.109 nan 4.420 nan 0.000 0.229 298 P C 1.159 178.406 177.300 -0.088 0.000 1.150 298 P CA 1.006 64.071 63.100 -0.058 0.000 0.765 298 P CB 0.305 31.982 31.700 -0.039 0.000 0.783 299 L N -1.878 119.303 121.223 -0.070 0.000 2.554 299 L HA 0.109 4.449 4.340 0.001 0.000 0.225 299 L C 0.667 177.477 176.870 -0.101 0.000 1.104 299 L CA -0.060 54.740 54.840 -0.067 0.000 0.866 299 L CB 0.142 42.188 42.059 -0.022 0.000 1.047 299 L HN -0.268 nan 8.230 nan 0.000 0.468 300 V N 0.841 120.695 119.914 -0.099 0.000 2.521 300 V HA -0.003 4.117 4.120 0.001 0.000 0.286 300 V C 0.042 176.033 176.094 -0.172 0.000 1.034 300 V CA -0.071 62.195 62.300 -0.057 0.000 1.045 300 V CB 0.401 32.230 31.823 0.010 0.000 0.974 300 V HN 0.173 nan 8.190 nan 0.000 0.480 301 H N 5.023 124.145 119.070 0.085 0.000 2.683 301 H HA 0.261 4.818 4.556 0.001 0.000 0.270 301 H C -0.146 175.211 175.328 0.049 0.000 1.201 301 H CA -0.848 55.241 56.048 0.068 0.000 1.277 301 H CB 1.497 31.363 29.762 0.173 0.000 1.400 301 H HN 0.492 nan 8.280 nan 0.000 0.504 302 L N 4.431 125.684 121.223 0.051 0.000 2.490 302 L HA 0.029 4.370 4.340 0.001 0.000 0.274 302 L C -0.066 176.718 176.870 -0.144 0.000 1.201 302 L CA 0.345 55.210 54.840 0.042 0.000 0.869 302 L CB 0.082 42.205 42.059 0.107 0.000 1.123 302 L HN 0.537 nan 8.230 nan 0.000 0.484 303 H N 5.790 124.782 119.070 -0.130 0.000 2.607 303 H HA 0.064 4.621 4.556 0.001 0.000 0.248 303 H C -1.243 173.993 175.328 -0.154 0.000 1.355 303 H CA -0.477 55.425 56.048 -0.244 0.000 1.524 303 H CB 0.401 29.737 29.762 -0.710 0.000 1.563 303 H HN 0.717 nan 8.280 nan 0.000 0.509 304 W N 3.003 124.249 121.300 -0.091 0.000 2.335 304 W HA 0.026 4.687 4.660 0.001 0.000 0.306 304 W C -0.508 176.071 176.519 0.100 0.000 1.216 304 W CA -0.361 56.923 57.345 -0.100 0.000 1.237 304 W CB 0.686 30.124 29.460 -0.038 0.000 1.243 304 W HN 0.557 nan 8.180 nan 0.000 0.493 305 Y N 2.412 122.515 120.300 -0.328 0.000 2.561 305 Y HA -0.083 4.468 4.550 0.001 0.000 0.291 305 Y C 1.185 176.917 175.900 -0.280 0.000 1.141 305 Y CA 0.372 58.307 58.100 -0.276 0.000 1.303 305 Y CB -0.791 37.482 38.460 -0.312 0.000 1.015 305 Y HN 0.449 nan 8.280 nan 0.000 0.547 306 D N 0.292 120.505 120.400 -0.312 0.000 2.716 306 D HA -0.192 4.449 4.640 0.001 0.000 0.239 306 D C -0.461 175.807 176.300 -0.053 0.000 1.125 306 D CA 0.668 54.657 54.000 -0.020 0.000 0.681 306 D CB -0.788 40.092 40.800 0.134 0.000 1.070 306 D HN 0.305 nan 8.370 nan 0.000 0.432 307 K N 0.263 120.543 120.400 -0.200 0.000 2.211 307 K HA 0.409 4.730 4.320 0.001 0.000 0.237 307 K C 0.238 176.828 176.600 -0.015 0.000 1.002 307 K CA -0.960 55.279 56.287 -0.080 0.000 0.885 307 K CB 1.045 33.497 32.500 -0.080 0.000 1.136 307 K HN 0.206 nan 8.250 nan 0.000 0.448 308 E N 1.281 121.493 120.200 0.020 0.000 2.324 308 E HA 0.051 4.401 4.350 0.001 0.000 0.271 308 E C -0.822 175.809 176.600 0.052 0.000 1.028 308 E CA -0.548 55.884 56.400 0.055 0.000 0.890 308 E CB 0.665 30.393 29.700 0.046 0.000 1.004 308 E HN 0.164 nan 8.360 nan 0.000 0.431 309 V N 5.969 125.943 119.914 0.100 0.000 2.450 309 V HA 0.151 4.272 4.120 0.001 0.000 0.281 309 V C 0.559 176.701 176.094 0.080 0.000 1.019 309 V CA 0.448 62.815 62.300 0.112 0.000 1.062 309 V CB -0.250 31.686 31.823 0.188 0.000 0.979 309 V HN 0.687 nan 8.190 nan 0.000 0.477 310 R N 5.009 125.546 120.500 0.061 0.000 2.725 310 R HA 0.473 4.814 4.340 0.001 0.000 0.277 310 R C -2.817 173.512 176.300 0.049 0.000 0.987 310 R CA -2.043 54.087 56.100 0.049 0.000 0.901 310 R CB 2.677 32.998 30.300 0.035 0.000 1.207 310 R HN 0.356 nan 8.270 nan 0.000 0.463 311 P HA -0.018 nan 4.420 nan 0.000 0.266 311 P C 0.501 177.817 177.300 0.025 0.000 1.195 311 P CA 0.772 63.895 63.100 0.037 0.000 0.768 311 P CB 0.541 32.259 31.700 0.030 0.000 0.838 312 G N 1.715 110.527 108.800 0.019 0.000 2.200 312 G HA2 -0.330 3.631 3.960 0.001 0.000 0.268 312 G HA3 -0.330 3.631 3.960 0.001 0.000 0.268 312 G C 0.395 175.304 174.900 0.014 0.000 0.986 312 G CA 0.265 45.369 45.100 0.006 0.000 0.677 312 G HN 0.706 nan 8.290 nan 0.000 0.532 313 R N 0.444 120.959 120.500 0.025 0.000 2.368 313 R HA 0.462 4.803 4.340 0.001 0.000 0.302 313 R C 0.171 176.490 176.300 0.032 0.000 1.002 313 R CA -0.716 55.399 56.100 0.026 0.000 0.929 313 R CB 0.413 30.726 30.300 0.021 0.000 1.073 313 R HN 0.187 nan 8.270 nan 0.000 0.464 314 K N 3.727 124.159 120.400 0.053 0.000 2.315 314 K HA 0.057 4.378 4.320 0.001 0.000 0.291 314 K C 0.957 177.609 176.600 0.087 0.000 1.074 314 K CA -0.248 56.099 56.287 0.101 0.000 0.936 314 K CB 0.993 33.610 32.500 0.194 0.000 1.049 314 K HN 0.489 nan 8.250 nan 0.000 0.471 315 V N -0.211 119.619 119.914 -0.140 0.000 3.565 315 V HA 0.336 4.457 4.120 0.001 0.000 0.260 315 V C 0.778 176.140 176.094 -1.220 0.000 1.231 315 V CA 0.616 62.578 62.300 -0.562 0.000 1.100 315 V CB 0.066 31.537 31.823 -0.586 0.000 0.807 315 V HN 0.806 nan 8.190 nan 0.000 0.454 316 G N -0.093 108.048 108.800 -1.099 0.000 2.335 316 G HA2 0.518 4.479 3.960 0.001 0.000 0.291 316 G HA3 0.518 4.479 3.960 0.001 0.000 0.291 316 G C -1.329 173.312 174.900 -0.431 0.000 1.261 316 G CA -0.096 44.123 45.100 -1.468 0.000 0.871 316 G HN 1.056 nan 8.290 nan 0.000 0.491 317 H N -1.632 117.316 119.070 -0.204 0.000 2.981 317 H HA 0.675 5.232 4.556 0.001 0.000 0.327 317 H C -1.997 173.394 175.328 0.106 0.000 1.342 317 H CA -0.984 55.081 56.048 0.028 0.000 1.123 317 H CB 1.239 31.102 29.762 0.169 0.000 1.851 317 H HN 0.631 nan 8.280 nan 0.000 0.531 318 L N 2.201 123.548 121.223 0.207 0.000 2.406 318 L HA 0.377 4.717 4.340 0.001 0.000 0.272 318 L C -0.874 176.157 176.870 0.267 0.000 0.980 318 L CA -0.816 54.112 54.840 0.147 0.000 0.831 318 L CB 1.842 43.876 42.059 -0.042 0.000 1.253 318 L HN 0.464 nan 8.230 nan 0.000 0.406 319 N N 3.473 122.383 118.700 0.350 0.000 2.362 319 N HA 0.760 5.501 4.740 0.001 0.000 0.298 319 N C -1.205 174.495 175.510 0.317 0.000 1.048 319 N CA -0.436 52.822 53.050 0.347 0.000 0.858 319 N CB 2.506 41.216 38.487 0.370 0.000 1.218 319 N HN 0.296 nan 8.380 nan 0.000 0.488 320 L N 0.542 121.900 121.223 0.225 0.000 2.410 320 L HA 0.617 4.958 4.340 0.001 0.000 0.270 320 L C 0.090 177.039 176.870 0.132 0.000 0.983 320 L CA -0.385 54.553 54.840 0.165 0.000 0.822 320 L CB 2.137 44.228 42.059 0.053 0.000 1.285 320 L HN 0.477 nan 8.230 nan 0.000 0.409 321 T N 1.039 115.679 114.554 0.142 0.000 2.993 321 T HA 0.700 5.050 4.350 0.001 0.000 0.312 321 T C -2.046 172.697 174.700 0.071 0.000 1.115 321 T CA -0.341 61.817 62.100 0.096 0.000 1.027 321 T CB 1.377 70.329 68.868 0.139 0.000 1.116 321 T HN 0.729 nan 8.240 nan 0.000 0.464 322 D N 0.661 121.076 120.400 0.026 0.000 2.694 322 D HA 0.390 5.030 4.640 0.001 0.000 0.260 322 D C 0.940 177.248 176.300 0.014 0.000 1.250 322 D CA 0.086 54.098 54.000 0.019 0.000 0.763 322 D CB 1.127 41.922 40.800 -0.008 0.000 1.311 322 D HN 0.404 nan 8.370 nan 0.000 0.420 323 S N 0.853 116.569 115.700 0.025 0.000 2.421 323 S HA 0.044 4.515 4.470 0.001 0.000 0.224 323 S C 0.727 175.342 174.600 0.025 0.000 1.035 323 S CA 0.268 58.489 58.200 0.035 0.000 0.953 323 S CB -0.128 63.098 63.200 0.042 0.000 0.810 323 S HN 0.488 nan 8.310 nan 0.000 0.497 324 D N 2.992 123.395 120.400 0.006 0.000 2.359 324 D HA 0.200 4.841 4.640 0.001 0.000 0.250 324 D C 1.448 177.726 176.300 -0.038 0.000 1.264 324 D CA 0.441 54.438 54.000 -0.005 0.000 0.911 324 D CB 1.219 42.014 40.800 -0.009 0.000 1.056 324 D HN 0.396 nan 8.370 nan 0.000 0.499 325 T N 0.217 114.760 114.554 -0.018 0.000 2.788 325 T HA -0.163 4.188 4.350 0.001 0.000 0.268 325 T C 1.785 176.426 174.700 -0.098 0.000 1.044 325 T CA 1.219 63.286 62.100 -0.056 0.000 1.139 325 T CB -0.170 68.746 68.868 0.079 0.000 0.867 325 T HN 0.218 nan 8.240 nan 0.000 0.454 326 S N 1.233 116.907 115.700 -0.043 0.000 2.383 326 S HA 0.019 4.490 4.470 0.001 0.000 0.227 326 S C 2.105 176.668 174.600 -0.062 0.000 1.026 326 S CA 0.838 59.014 58.200 -0.041 0.000 0.981 326 S CB -0.345 62.846 63.200 -0.014 0.000 0.818 326 S HN 0.503 nan 8.310 nan 0.000 0.472 327 R N 0.366 120.828 120.500 -0.063 0.000 2.090 327 R HA 0.025 4.365 4.340 0.001 0.000 0.228 327 R C 2.241 178.483 176.300 -0.097 0.000 1.110 327 R CA 0.771 56.834 56.100 -0.062 0.000 0.973 327 R CB -0.328 29.947 30.300 -0.042 0.000 0.869 327 R HN 0.287 nan 8.270 nan 0.000 0.440 328 L N 0.738 121.869 121.223 -0.153 0.000 1.976 328 L HA -0.179 4.161 4.340 0.001 0.000 0.209 328 L C 2.407 179.126 176.870 -0.251 0.000 1.071 328 L CA 2.627 57.326 54.840 -0.235 0.000 0.746 328 L CB -1.189 40.642 42.059 -0.381 0.000 0.890 328 L HN 0.373 nan 8.230 nan 0.000 0.432 329 T N -2.309 112.079 114.554 -0.277 0.000 2.635 329 T HA -0.241 4.110 4.350 0.001 0.000 0.267 329 T C 1.928 176.575 174.700 -0.088 0.000 1.040 329 T CA 1.633 63.624 62.100 -0.181 0.000 1.156 329 T CB -1.211 67.590 68.868 -0.111 0.000 0.863 329 T HN 0.377 nan 8.240 nan 0.000 0.430 330 A N 1.399 124.179 122.820 -0.067 0.000 2.032 330 A HA -0.094 4.226 4.320 0.001 0.000 0.221 330 A C 2.602 180.166 177.584 -0.033 0.000 1.165 330 A CA 2.335 54.350 52.037 -0.037 0.000 0.645 330 A CB -1.528 17.454 19.000 -0.031 0.000 0.807 330 A HN 0.639 nan 8.150 nan 0.000 0.453 331 T N 0.143 114.665 114.554 -0.052 0.000 2.770 331 T HA -0.017 4.334 4.350 0.001 0.000 0.263 331 T C 1.811 176.492 174.700 -0.032 0.000 1.039 331 T CA 1.256 63.332 62.100 -0.040 0.000 1.142 331 T CB -0.332 68.505 68.868 -0.052 0.000 0.868 331 T HN 0.385 nan 8.240 nan 0.000 0.435 332 L N 0.703 121.897 121.223 -0.048 0.000 2.012 332 L HA -0.161 4.180 4.340 0.001 0.000 0.210 332 L C 2.776 179.646 176.870 -0.000 0.000 1.073 332 L CA 1.519 56.344 54.840 -0.025 0.000 0.748 332 L CB -0.460 41.581 42.059 -0.029 0.000 0.891 332 L HN 0.270 nan 8.230 nan 0.000 0.431 333 E N 0.285 120.485 120.200 -0.000 0.000 2.058 333 E HA -0.232 4.119 4.350 0.001 0.000 0.194 333 E C 2.109 178.721 176.600 0.019 0.000 0.997 333 E CA 1.501 57.910 56.400 0.015 0.000 0.801 333 E CB -0.128 29.578 29.700 0.010 0.000 0.746 333 E HN 0.403 nan 8.360 nan 0.000 0.450 334 A N 0.225 123.052 122.820 0.012 0.000 2.070 334 A HA -0.100 4.221 4.320 0.001 0.000 0.220 334 A C 2.170 179.774 177.584 0.033 0.000 1.159 334 A CA 0.884 52.933 52.037 0.020 0.000 0.656 334 A CB -0.493 18.515 19.000 0.013 0.000 0.800 334 A HN 0.358 nan 8.150 nan 0.000 0.453 335 L N -0.855 120.381 121.223 0.022 0.000 2.072 335 L HA -0.112 4.229 4.340 0.001 0.000 0.205 335 L C 2.345 179.232 176.870 0.028 0.000 1.079 335 L CA 0.885 55.737 54.840 0.019 0.000 0.752 335 L CB -0.415 41.620 42.059 -0.040 0.000 0.906 335 L HN 0.390 nan 8.230 nan 0.000 0.436 336 I N 0.651 121.239 120.570 0.030 0.000 2.132 336 I HA -0.338 3.833 4.170 0.001 0.000 0.238 336 I C -0.445 175.710 176.117 0.064 0.000 1.012 336 I CA 2.073 63.403 61.300 0.050 0.000 1.288 336 I CB -1.605 36.428 38.000 0.056 0.000 0.997 336 I HN 0.266 nan 8.210 nan 0.000 0.402 337 P HA -0.120 nan 4.420 nan 0.000 0.225 337 P C 1.574 178.921 177.300 0.079 0.000 1.148 337 P CA 1.449 64.586 63.100 0.062 0.000 0.779 337 P CB -0.106 31.623 31.700 0.048 0.000 0.780 338 L N -2.174 119.114 121.223 0.108 0.000 2.567 338 L HA 0.137 4.478 4.340 0.001 0.000 0.225 338 L C 1.048 178.084 176.870 0.276 0.000 1.119 338 L CA 0.170 55.121 54.840 0.185 0.000 0.871 338 L CB -0.225 42.006 42.059 0.287 0.000 1.036 338 L HN -0.068 nan 8.230 nan 0.000 0.459 339 L N -1.230 120.072 121.223 0.131 0.000 2.303 339 L HA 0.508 4.849 4.340 0.001 0.000 0.266 339 L C -2.310 174.631 176.870 0.118 0.000 1.011 339 L CA -2.093 52.763 54.840 0.028 0.000 0.818 339 L CB 0.816 42.690 42.059 -0.307 0.000 1.326 339 L HN -0.300 nan 8.230 nan 0.000 0.435 340 P HA 0.086 nan 4.420 nan 0.000 0.269 340 P C -2.094 175.407 177.300 0.336 0.000 1.209 340 P CA -1.148 62.135 63.100 0.304 0.000 0.776 340 P CB -0.024 31.895 31.700 0.365 0.000 0.876 341 P HA -0.226 nan 4.420 nan 0.000 0.217 341 P C 0.784 178.154 177.300 0.116 0.000 1.151 341 P CA 1.727 64.908 63.100 0.135 0.000 0.849 341 P CB -0.192 31.561 31.700 0.089 0.000 0.787 342 E N -1.876 118.374 120.200 0.083 0.000 2.409 342 E HA -0.149 4.202 4.350 0.001 0.000 0.198 342 E C 1.503 178.037 176.600 -0.109 0.000 1.024 342 E CA 0.835 57.207 56.400 -0.047 0.000 0.861 342 E CB -1.007 28.607 29.700 -0.143 0.000 0.788 342 E HN 0.404 nan 8.360 nan 0.000 0.521 343 Y N 0.646 120.964 120.300 0.029 0.000 2.397 343 Y HA 0.167 4.718 4.550 0.001 0.000 0.292 343 Y C 2.501 178.422 175.900 0.035 0.000 1.115 343 Y CA 0.495 58.608 58.100 0.021 0.000 1.208 343 Y CB -0.284 38.181 38.460 0.008 0.000 1.046 343 Y HN 0.115 nan 8.280 nan 0.000 0.552 344 A N 0.279 123.217 122.820 0.196 0.000 1.927 344 A HA -0.299 4.022 4.320 0.001 0.000 0.220 344 A C 2.358 180.018 177.584 0.127 0.000 1.185 344 A CA 2.538 54.659 52.037 0.140 0.000 0.639 344 A CB -1.153 17.913 19.000 0.110 0.000 0.820 344 A HN 0.491 nan 8.150 nan 0.000 0.451 345 S N -0.104 115.656 115.700 0.100 0.000 2.359 345 S HA -0.117 4.354 4.470 0.001 0.000 0.222 345 S C 2.115 176.805 174.600 0.150 0.000 1.038 345 S CA 1.326 59.585 58.200 0.100 0.000 1.051 345 S CB -1.414 61.815 63.200 0.048 0.000 0.944 345 S HN 0.827 nan 8.310 nan 0.000 0.433 346 G N 1.508 110.379 108.800 0.119 0.000 2.442 346 G HA2 -0.145 3.816 3.960 0.001 0.000 0.219 346 G HA3 -0.145 3.816 3.960 0.001 0.000 0.219 346 G C 1.449 176.539 174.900 0.317 0.000 1.141 346 G CA 1.016 46.219 45.100 0.172 0.000 0.763 346 G HN 0.430 nan 8.290 nan 0.000 0.554 347 V N 1.004 121.058 119.914 0.233 0.000 2.261 347 V HA -0.182 3.939 4.120 0.001 0.000 0.246 347 V C 2.778 178.995 176.094 0.205 0.000 1.047 347 V CA 1.776 64.200 62.300 0.205 0.000 1.015 347 V CB -0.443 31.464 31.823 0.141 0.000 0.642 347 V HN 0.356 nan 8.190 nan 0.000 0.446 348 I N -1.060 119.622 120.570 0.186 0.000 2.264 348 I HA -0.300 3.870 4.170 0.001 0.000 0.248 348 I C 2.211 178.438 176.117 0.184 0.000 1.111 348 I CA 2.160 63.554 61.300 0.156 0.000 1.382 348 I CB -0.402 37.678 38.000 0.132 0.000 1.060 348 I HN 0.549 nan 8.210 nan 0.000 0.418 349 W N 1.441 122.782 121.300 0.067 0.000 2.335 349 W HA -0.290 4.370 4.660 0.001 0.000 0.311 349 W C 2.537 179.104 176.519 0.079 0.000 1.213 349 W CA 2.196 59.579 57.345 0.062 0.000 1.274 349 W CB -0.420 29.073 29.460 0.055 0.000 1.148 349 W HN 0.123 nan 8.180 nan 0.000 0.498 350 A N 0.214 123.112 122.820 0.131 0.000 1.851 350 A HA -0.325 3.995 4.320 0.001 0.000 0.216 350 A C 1.964 179.576 177.584 0.047 0.000 1.195 350 A CA 2.223 54.244 52.037 -0.027 0.000 0.622 350 A CB -1.426 17.716 19.000 0.237 0.000 0.831 350 A HN 0.523 nan 8.150 nan 0.000 0.444 351 Q N 0.023 119.913 119.800 0.149 0.000 2.118 351 Q HA -0.258 4.083 4.340 0.001 0.000 0.211 351 Q C 2.305 178.388 176.000 0.139 0.000 0.998 351 Q CA 2.849 58.767 55.803 0.192 0.000 0.872 351 Q CB -0.289 28.513 28.738 0.106 0.000 0.925 351 Q HN 0.848 nan 8.270 nan 0.000 0.414 352 S N -0.143 115.541 115.700 -0.027 0.000 2.402 352 S HA -0.190 4.281 4.470 0.001 0.000 0.233 352 S C 1.595 176.073 174.600 -0.203 0.000 1.030 352 S CA 1.264 59.401 58.200 -0.106 0.000 1.003 352 S CB -0.235 62.884 63.200 -0.135 0.000 0.813 352 S HN 0.302 nan 8.310 nan 0.000 0.477 353 K N -0.095 120.088 120.400 -0.363 0.000 2.288 353 K HA 0.068 4.389 4.320 0.001 0.000 0.201 353 K C 1.498 177.791 176.600 -0.510 0.000 1.048 353 K CA 0.761 56.737 56.287 -0.518 0.000 0.956 353 K CB -0.339 31.736 32.500 -0.708 0.000 0.746 353 K HN 0.510 nan 8.250 nan 0.000 0.461 354 F N 1.476 121.417 119.950 -0.015 0.000 2.128 354 F HA -0.007 4.521 4.527 0.001 0.000 0.295 354 F C 2.001 177.791 175.800 -0.015 0.000 1.100 354 F CA 0.589 58.612 58.000 0.039 0.000 1.260 354 F CB -1.013 38.007 39.000 0.034 0.000 1.009 354 F HN -0.012 nan 8.300 nan 0.000 0.476 355 G N 0.000 108.851 108.800 0.086 0.000 5.446 355 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 355 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 355 G CA 0.000 45.116 45.100 0.027 0.000 0.502 355 G HN 0.000 nan 8.290 nan 0.000 0.925