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 1dhp_1_B DATA FIRST_RESID 1 DATA SEQUENCE MFTGSIVAIV TPMDEKGNVC RASLKKLIDY HVASGTSAIV SVGTTGESAT DATA SEQUENCE LNHDEHADVV MMTLDLADGR IPVIAGTGAN ATAEAISLTQ RFNDSGIVGC DATA SEQUENCE LTVTPYYNRP SQEGLYQHFK AIAEHTDLPQ ILYNVPSRTG CDLLPETVGR DATA SEQUENCE LAKVKNIIGI KEATGNLTRV NQIKELVSDD FVLLSGDDAS ALDFMQLGGH DATA SEQUENCE GVISVTANVA ARDMAQMCKL AAEGHFAEAR VINQRLMPLH NKLFVEPNPI DATA SEQUENCE PVKWACKELG LVATDTLRLP MTPITDSGRE TVRAALKHAG LL 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 0.000 175.849 176.300 -0.751 0.000 1.140 1 M CA 0.000 54.983 55.300 -0.529 0.000 0.988 1 M CB 0.000 32.463 32.600 -0.229 0.000 1.302 2 F N 0.421 120.337 119.950 -0.056 0.000 2.749 2 F HA 0.516 5.043 4.527 0.000 0.000 0.380 2 F C -0.112 175.665 175.800 -0.038 0.000 1.365 2 F CA -0.218 57.742 58.000 -0.066 0.000 1.186 2 F CB 0.751 39.691 39.000 -0.099 0.000 1.080 2 F HN 0.163 nan 8.300 nan 0.000 0.513 3 T N -0.649 113.945 114.554 0.065 0.000 2.896 3 T HA 0.715 5.065 4.350 0.000 0.000 0.297 3 T C 0.202 174.930 174.700 0.047 0.000 1.108 3 T CA -0.030 62.120 62.100 0.083 0.000 1.004 3 T CB 2.024 70.927 68.868 0.059 0.000 1.159 3 T HN 0.585 nan 8.240 nan 0.000 0.499 4 G N 1.650 110.490 108.800 0.067 0.000 2.584 4 G HA2 -0.147 3.813 3.960 0.000 0.000 0.229 4 G HA3 -0.147 3.813 3.960 0.000 0.000 0.229 4 G C -0.033 174.888 174.900 0.035 0.000 1.320 4 G CA -0.088 45.038 45.100 0.044 0.000 0.891 4 G HN 1.079 nan 8.290 nan 0.000 0.573 5 S N -0.049 115.665 115.700 0.024 0.000 2.416 5 S HA 0.623 5.093 4.470 0.000 0.000 0.287 5 S C 0.227 174.826 174.600 -0.001 0.000 1.139 5 S CA -0.501 57.711 58.200 0.021 0.000 1.058 5 S CB -0.391 62.830 63.200 0.036 0.000 0.967 5 S HN 0.639 nan 8.310 nan 0.000 0.495 6 I N 5.187 125.748 120.570 -0.016 0.000 2.362 6 I HA 0.354 4.524 4.170 0.000 0.000 0.289 6 I C -0.097 175.981 176.117 -0.066 0.000 0.994 6 I CA -0.811 60.462 61.300 -0.045 0.000 1.158 6 I CB 1.891 39.872 38.000 -0.033 0.000 1.315 6 I HN 0.320 nan 8.210 nan 0.000 0.451 7 V N 6.862 126.702 119.914 -0.123 0.000 2.461 7 V HA 0.502 4.622 4.120 0.000 0.000 0.275 7 V C 0.620 176.633 176.094 -0.135 0.000 1.047 7 V CA -0.309 61.902 62.300 -0.147 0.000 0.955 7 V CB 1.415 33.026 31.823 -0.354 0.000 0.988 7 V HN 0.828 nan 8.190 nan 0.000 0.471 8 A N 7.958 130.730 122.820 -0.080 0.000 2.922 8 A HA 0.395 4.715 4.320 0.000 0.000 0.298 8 A C 0.155 177.705 177.584 -0.057 0.000 1.588 8 A CA -0.229 51.766 52.037 -0.070 0.000 1.288 8 A CB -0.523 18.451 19.000 -0.042 0.000 1.130 8 A HN 0.915 nan 8.150 nan 0.000 0.557 9 I N 3.190 123.708 120.570 -0.086 0.000 2.648 9 I HA 0.134 4.304 4.170 0.000 0.000 0.284 9 I C 0.703 176.803 176.117 -0.029 0.000 1.153 9 I CA -0.147 61.116 61.300 -0.061 0.000 1.426 9 I CB 1.077 39.025 38.000 -0.087 0.000 1.381 9 I HN 0.534 nan 8.210 nan 0.000 0.571 10 V N 3.797 123.707 119.914 -0.006 0.000 3.051 10 V HA 0.264 4.384 4.120 0.000 0.000 0.306 10 V C 0.222 176.310 176.094 -0.011 0.000 1.083 10 V CA -0.328 61.966 62.300 -0.009 0.000 1.104 10 V CB 1.013 32.833 31.823 -0.005 0.000 1.027 10 V HN 0.763 nan 8.190 nan 0.000 0.483 11 T N 5.516 120.061 114.554 -0.015 0.000 2.929 11 T HA 0.382 4.732 4.350 0.000 0.000 0.331 11 T C -2.457 172.239 174.700 -0.007 0.000 1.120 11 T CA -0.761 61.332 62.100 -0.012 0.000 0.973 11 T CB 0.640 69.497 68.868 -0.019 0.000 1.036 11 T HN 0.810 nan 8.240 nan 0.000 0.502 12 P HA 0.190 nan 4.420 nan 0.000 0.264 12 P C -0.709 176.588 177.300 -0.005 0.000 1.193 12 P CA -0.102 62.993 63.100 -0.010 0.000 0.763 12 P CB 0.618 32.310 31.700 -0.014 0.000 0.810 13 M N 1.907 121.504 119.600 -0.005 0.000 2.591 13 M HA 0.272 4.752 4.480 0.000 0.000 0.306 13 M C 0.451 176.750 176.300 -0.001 0.000 1.190 13 M CA -0.787 54.513 55.300 0.000 0.000 0.889 13 M CB 1.921 34.523 32.600 0.003 0.000 1.728 13 M HN 0.290 nan 8.290 nan 0.000 0.458 14 D N 0.266 120.667 120.400 0.001 0.000 2.425 14 D HA 0.132 4.772 4.640 0.000 0.000 0.274 14 D C 0.450 176.752 176.300 0.003 0.000 1.242 14 D CA -0.206 53.794 54.000 0.000 0.000 1.060 14 D CB 0.450 41.251 40.800 0.001 0.000 1.112 14 D HN 0.536 nan 8.370 nan 0.000 0.561 15 E N -1.049 119.153 120.200 0.004 0.000 2.153 15 E HA -0.103 4.247 4.350 0.000 0.000 0.194 15 E C 1.471 178.075 176.600 0.007 0.000 0.988 15 E CA 1.043 57.447 56.400 0.006 0.000 0.811 15 E CB -0.107 29.596 29.700 0.005 0.000 0.746 15 E HN 0.266 nan 8.360 nan 0.000 0.466 16 K N -0.668 119.736 120.400 0.006 0.000 2.525 16 K HA 0.102 4.422 4.320 0.000 0.000 0.192 16 K C 0.990 177.595 176.600 0.008 0.000 1.029 16 K CA 0.762 57.054 56.287 0.007 0.000 1.029 16 K CB 0.427 32.931 32.500 0.007 0.000 0.814 16 K HN 0.307 nan 8.250 nan 0.000 0.503 17 G N 1.620 110.425 108.800 0.008 0.000 2.141 17 G HA2 -0.259 3.701 3.960 0.000 0.000 0.242 17 G HA3 -0.259 3.701 3.960 0.000 0.000 0.242 17 G C -0.265 174.641 174.900 0.011 0.000 0.982 17 G CA 0.032 45.138 45.100 0.009 0.000 0.662 17 G HN 0.431 nan 8.290 nan 0.000 0.527 18 N N -0.724 117.982 118.700 0.011 0.000 2.509 18 N HA 0.493 5.233 4.740 0.000 0.000 0.287 18 N C 0.308 175.826 175.510 0.012 0.000 1.121 18 N CA -0.294 52.764 53.050 0.013 0.000 0.977 18 N CB 2.498 40.993 38.487 0.013 0.000 1.167 18 N HN 0.260 nan 8.380 nan 0.000 0.476 19 V N 1.748 121.671 119.914 0.016 0.000 2.644 19 V HA -0.072 4.048 4.120 0.000 0.000 0.305 19 V C -0.208 175.893 176.094 0.011 0.000 1.053 19 V CA -0.035 62.273 62.300 0.014 0.000 1.186 19 V CB -0.027 31.809 31.823 0.021 0.000 0.895 19 V HN 0.816 nan 8.190 nan 0.000 0.490 20 C N 8.133 127.436 119.300 0.006 0.000 2.203 20 C HA 0.420 4.880 4.460 0.000 0.000 0.325 20 C C 1.674 176.667 174.990 0.004 0.000 1.156 20 C CA -0.493 58.526 59.018 0.003 0.000 1.597 20 C CB -0.532 27.205 27.740 -0.004 0.000 2.148 20 C HN 1.147 nan 8.230 nan 0.000 0.472 21 R N 3.565 124.069 120.500 0.008 0.000 2.096 21 R HA -0.149 4.191 4.340 0.000 0.000 0.240 21 R C 2.137 178.441 176.300 0.007 0.000 1.139 21 R CA 2.197 58.303 56.100 0.010 0.000 0.952 21 R CB -0.126 30.181 30.300 0.012 0.000 0.854 21 R HN 0.854 nan 8.270 nan 0.000 0.436 22 A N -0.149 122.672 122.820 0.002 0.000 1.908 22 A HA -0.160 4.160 4.320 0.000 0.000 0.218 22 A C 2.195 179.775 177.584 -0.007 0.000 1.181 22 A CA 2.053 54.089 52.037 -0.002 0.000 0.627 22 A CB -0.528 18.468 19.000 -0.007 0.000 0.818 22 A HN 0.433 nan 8.150 nan 0.000 0.445 23 S N -0.696 114.998 115.700 -0.011 0.000 2.387 23 S HA -0.080 4.390 4.470 0.000 0.000 0.226 23 S C 1.819 176.416 174.600 -0.006 0.000 1.026 23 S CA 1.187 59.376 58.200 -0.019 0.000 0.972 23 S CB -0.358 62.825 63.200 -0.027 0.000 0.814 23 S HN 0.449 nan 8.310 nan 0.000 0.477 24 L N 2.530 123.757 121.223 0.005 0.000 2.046 24 L HA -0.056 4.284 4.340 0.000 0.000 0.208 24 L C 2.151 179.040 176.870 0.032 0.000 1.077 24 L CA 1.885 56.737 54.840 0.020 0.000 0.747 24 L CB -0.753 41.317 42.059 0.018 0.000 0.896 24 L HN 0.148 nan 8.230 nan 0.000 0.432 25 K N 0.205 120.618 120.400 0.023 0.000 2.063 25 K HA -0.259 4.061 4.320 0.000 0.000 0.208 25 K C 2.221 178.841 176.600 0.032 0.000 1.048 25 K CA 2.135 58.437 56.287 0.026 0.000 0.928 25 K CB -0.397 32.112 32.500 0.016 0.000 0.713 25 K HN 0.358 nan 8.250 nan 0.000 0.442 26 K N 0.101 120.512 120.400 0.019 0.000 2.057 26 K HA -0.050 4.270 4.320 0.000 0.000 0.206 26 K C 2.056 178.682 176.600 0.043 0.000 1.050 26 K CA 1.427 57.722 56.287 0.013 0.000 0.935 26 K CB -0.136 32.350 32.500 -0.023 0.000 0.715 26 K HN 0.197 nan 8.250 nan 0.000 0.439 27 L N 0.766 122.023 121.223 0.056 0.000 2.046 27 L HA -0.175 4.165 4.340 0.000 0.000 0.208 27 L C 2.366 179.394 176.870 0.262 0.000 1.077 27 L CA 1.116 56.040 54.840 0.139 0.000 0.747 27 L CB -0.347 41.797 42.059 0.142 0.000 0.896 27 L HN 0.237 nan 8.230 nan 0.000 0.432 28 I N -0.252 120.425 120.570 0.179 0.000 2.226 28 I HA -0.292 3.878 4.170 0.000 0.000 0.245 28 I C 2.056 178.250 176.117 0.129 0.000 1.100 28 I CA 1.186 62.584 61.300 0.164 0.000 1.374 28 I CB -0.423 37.629 38.000 0.087 0.000 1.057 28 I HN 0.267 nan 8.210 nan 0.000 0.413 29 D N 0.079 120.534 120.400 0.092 0.000 2.144 29 D HA -0.228 4.412 4.640 0.000 0.000 0.199 29 D C 1.891 178.228 176.300 0.061 0.000 0.984 29 D CA 1.231 55.267 54.000 0.061 0.000 0.834 29 D CB -0.323 40.505 40.800 0.046 0.000 0.955 29 D HN 0.375 nan 8.370 nan 0.000 0.465 30 Y N 1.400 121.653 120.300 -0.077 0.000 2.145 30 Y HA -0.238 4.312 4.550 0.000 0.000 0.286 30 Y C 2.334 178.091 175.900 -0.238 0.000 1.145 30 Y CA 1.749 59.743 58.100 -0.175 0.000 1.148 30 Y CB -0.357 37.953 38.460 -0.251 0.000 0.981 30 Y HN 0.123 nan 8.280 nan 0.000 0.507 31 H N -1.257 117.753 119.070 -0.099 0.000 2.395 31 H HA -0.090 4.466 4.556 0.000 0.000 0.299 31 H C 2.532 177.774 175.328 -0.143 0.000 1.070 31 H CA 1.606 57.543 56.048 -0.185 0.000 1.356 31 H CB -0.468 29.262 29.762 -0.053 0.000 1.401 31 H HN 0.325 nan 8.280 nan 0.000 0.524 32 V N 1.215 121.133 119.914 0.006 0.000 2.295 32 V HA -0.252 3.868 4.120 0.000 0.000 0.246 32 V C 2.794 178.852 176.094 -0.060 0.000 1.049 32 V CA 1.721 64.012 62.300 -0.016 0.000 1.024 32 V CB -0.919 30.904 31.823 0.000 0.000 0.648 32 V HN 0.459 nan 8.190 nan 0.000 0.447 33 A N -0.652 122.113 122.820 -0.091 0.000 1.968 33 A HA -0.137 4.183 4.320 0.000 0.000 0.217 33 A C 2.359 179.850 177.584 -0.155 0.000 1.169 33 A CA 1.899 53.874 52.037 -0.103 0.000 0.638 33 A CB -0.448 18.503 19.000 -0.082 0.000 0.812 33 A HN 0.525 nan 8.150 nan 0.000 0.446 34 S N -1.596 113.941 115.700 -0.272 0.000 2.527 34 S HA 0.333 4.804 4.470 0.000 0.000 0.222 34 S C 1.361 175.868 174.600 -0.155 0.000 0.985 34 S CA 0.818 58.849 58.200 -0.282 0.000 0.921 34 S CB 0.104 62.977 63.200 -0.545 0.000 0.772 34 S HN 1.649 nan 8.310 nan 0.000 0.529 35 G N 1.651 110.386 108.800 -0.108 0.000 2.130 35 G HA2 -0.218 3.742 3.960 0.000 0.000 0.216 35 G HA3 -0.218 3.742 3.960 0.000 0.000 0.216 35 G C 0.043 174.923 174.900 -0.034 0.000 0.999 35 G CA -0.040 45.025 45.100 -0.059 0.000 0.686 35 G HN 0.413 nan 8.290 nan 0.000 0.515 36 T N 1.254 115.799 114.554 -0.015 0.000 2.888 36 T HA 0.394 4.744 4.350 0.000 0.000 0.301 36 T C 1.711 176.402 174.700 -0.016 0.000 1.001 36 T CA 0.653 62.766 62.100 0.021 0.000 1.147 36 T CB 1.394 70.337 68.868 0.124 0.000 0.931 36 T HN 0.220 nan 8.240 nan 0.000 0.541 37 S N 1.946 117.629 115.700 -0.029 0.000 2.383 37 S HA 0.218 4.688 4.470 0.000 0.000 0.227 37 S C 0.936 175.488 174.600 -0.080 0.000 1.026 37 S CA 0.831 58.999 58.200 -0.054 0.000 0.981 37 S CB -0.003 63.167 63.200 -0.050 0.000 0.818 37 S HN 0.961 nan 8.310 nan 0.000 0.472 38 A N -0.347 122.425 122.820 -0.079 0.000 2.566 38 A HA 0.716 5.036 4.320 0.000 0.000 0.290 38 A C -1.803 175.719 177.584 -0.104 0.000 1.071 38 A CA -0.744 51.237 52.037 -0.093 0.000 0.658 38 A CB 0.686 19.622 19.000 -0.106 0.000 1.285 38 A HN 0.170 nan 8.150 nan 0.000 0.427 39 I N 0.679 121.188 120.570 -0.101 0.000 2.465 39 I HA 0.433 4.604 4.170 0.000 0.000 0.291 39 I C -0.860 175.200 176.117 -0.095 0.000 1.014 39 I CA -1.008 60.215 61.300 -0.128 0.000 1.093 39 I CB 2.071 39.997 38.000 -0.123 0.000 1.267 39 I HN 0.315 nan 8.210 nan 0.000 0.431 40 V N 5.089 124.942 119.914 -0.102 0.000 2.334 40 V HA 0.170 4.291 4.120 0.000 0.000 0.267 40 V C 0.365 176.405 176.094 -0.090 0.000 1.040 40 V CA -0.149 62.098 62.300 -0.088 0.000 0.866 40 V CB 1.262 33.027 31.823 -0.096 0.000 1.019 40 V HN 0.769 nan 8.190 nan 0.000 0.468 41 S N 4.113 119.759 115.700 -0.090 0.000 2.513 41 S HA 0.416 4.886 4.470 0.000 0.000 0.276 41 S C 0.303 174.843 174.600 -0.100 0.000 1.254 41 S CA -0.345 57.802 58.200 -0.089 0.000 1.053 41 S CB 0.752 63.898 63.200 -0.090 0.000 0.958 41 S HN 1.067 nan 8.310 nan 0.000 0.491 42 V N 3.834 123.681 119.914 -0.112 0.000 6.078 42 V HA -0.185 3.935 4.120 0.000 0.000 0.301 42 V C 0.946 176.954 176.094 -0.143 0.000 0.571 42 V CA 1.002 63.190 62.300 -0.187 0.000 0.625 42 V CB -2.577 28.992 31.823 -0.423 0.000 0.271 42 V HN 0.992 nan 8.190 nan 0.000 0.788 43 G N 0.365 109.122 108.800 -0.071 0.000 2.702 43 G HA2 0.515 4.475 3.960 0.000 0.000 0.254 43 G HA3 0.515 4.475 3.960 0.000 0.000 0.254 43 G C 0.897 175.803 174.900 0.010 0.000 1.380 43 G CA 0.371 45.464 45.100 -0.013 0.000 1.042 43 G HN 0.387 nan 8.290 nan 0.000 0.557 44 T N 0.234 114.831 114.554 0.073 0.000 2.759 44 T HA -0.128 4.222 4.350 0.000 0.000 0.269 44 T C 2.424 177.148 174.700 0.039 0.000 1.042 44 T CA 2.043 64.188 62.100 0.076 0.000 1.140 44 T CB -0.358 68.601 68.868 0.152 0.000 0.864 44 T HN 0.399 nan 8.240 nan 0.000 0.455 45 T N 0.755 115.328 114.554 0.031 0.000 3.055 45 T HA 0.108 4.458 4.350 0.000 0.000 0.265 45 T C 1.921 176.615 174.700 -0.010 0.000 1.111 45 T CA 0.869 62.977 62.100 0.013 0.000 1.118 45 T CB -0.205 68.671 68.868 0.013 0.000 0.909 45 T HN 0.503 nan 8.240 nan 0.000 0.501 46 G N 0.738 109.524 108.800 -0.023 0.000 3.233 46 G HA2 0.217 4.177 3.960 0.000 0.000 0.227 46 G HA3 0.217 4.177 3.960 0.000 0.000 0.227 46 G C 0.051 174.923 174.900 -0.047 0.000 1.175 46 G CA -0.394 44.682 45.100 -0.041 0.000 0.781 46 G HN 0.519 nan 8.290 nan 0.000 0.542 47 E N 0.049 120.230 120.200 -0.031 0.000 2.320 47 E HA -0.270 4.080 4.350 0.000 0.000 0.234 47 E C 1.819 178.394 176.600 -0.042 0.000 1.183 47 E CA 0.225 56.608 56.400 -0.028 0.000 0.713 47 E CB -1.520 28.169 29.700 -0.018 0.000 1.226 47 E HN 0.631 nan 8.360 nan 0.000 0.382 48 S N -0.767 114.897 115.700 -0.059 0.000 2.383 48 S HA -0.222 4.248 4.470 0.000 0.000 0.229 48 S C 2.150 176.756 174.600 0.009 0.000 1.030 48 S CA 0.965 59.119 58.200 -0.077 0.000 1.002 48 S CB -0.108 63.061 63.200 -0.052 0.000 0.829 48 S HN 0.543 nan 8.310 nan 0.000 0.467 49 A N 1.879 124.696 122.820 -0.004 0.000 2.024 49 A HA -0.032 4.288 4.320 0.000 0.000 0.220 49 A C 2.356 179.947 177.584 0.011 0.000 1.164 49 A CA 1.911 53.943 52.037 -0.007 0.000 0.643 49 A CB -1.169 17.794 19.000 -0.062 0.000 0.806 49 A HN 0.817 nan 8.150 nan 0.000 0.451 50 T N -3.914 110.646 114.554 0.009 0.000 3.092 50 T HA 0.528 4.878 4.350 0.000 0.000 0.258 50 T C -0.058 174.660 174.700 0.031 0.000 1.031 50 T CA -0.329 61.779 62.100 0.015 0.000 0.925 50 T CB -0.069 68.801 68.868 0.004 0.000 1.036 50 T HN -0.013 nan 8.240 nan 0.000 0.544 51 L N 4.231 125.483 121.223 0.048 0.000 2.296 51 L HA 0.445 4.785 4.340 0.000 0.000 0.286 51 L C 0.279 177.234 176.870 0.142 0.000 1.023 51 L CA -1.137 53.748 54.840 0.074 0.000 0.812 51 L CB 1.428 43.516 42.059 0.048 0.000 1.223 51 L HN 0.372 nan 8.230 nan 0.000 0.421 52 N N 2.175 120.955 118.700 0.133 0.000 2.444 52 N HA 0.018 4.758 4.740 0.000 0.000 0.255 52 N C 0.757 176.435 175.510 0.280 0.000 1.255 52 N CA -0.473 52.671 53.050 0.157 0.000 0.933 52 N CB 0.631 39.169 38.487 0.085 0.000 1.143 52 N HN 0.634 nan 8.380 nan 0.000 0.453 53 H N -0.391 118.747 119.070 0.114 0.000 2.394 53 H HA -0.171 4.385 4.556 0.000 0.000 0.297 53 H C 0.637 176.012 175.328 0.078 0.000 1.113 53 H CA 1.510 57.614 56.048 0.093 0.000 1.277 53 H CB 0.209 29.977 29.762 0.010 0.000 1.370 53 H HN 0.644 nan 8.280 nan 0.000 0.506 54 D N 0.209 120.717 120.400 0.180 0.000 2.117 54 D HA -0.104 4.536 4.640 0.000 0.000 0.198 54 D C 2.018 178.396 176.300 0.130 0.000 0.982 54 D CA 1.011 55.076 54.000 0.108 0.000 0.828 54 D CB -0.011 40.833 40.800 0.074 0.000 0.967 54 D HN 0.463 nan 8.370 nan 0.000 0.464 55 E N -0.981 119.307 120.200 0.148 0.000 2.106 55 E HA -0.180 4.170 4.350 0.000 0.000 0.192 55 E C 1.880 178.596 176.600 0.193 0.000 0.984 55 E CA 0.653 57.134 56.400 0.136 0.000 0.806 55 E CB -0.132 29.631 29.700 0.106 0.000 0.750 55 E HN 0.522 nan 8.360 nan 0.000 0.458 56 H N 0.262 119.407 119.070 0.125 0.000 2.290 56 H HA -0.146 4.410 4.556 0.000 0.000 0.298 56 H C 2.111 177.572 175.328 0.221 0.000 1.087 56 H CA 1.452 57.591 56.048 0.153 0.000 1.291 56 H CB 0.081 29.940 29.762 0.161 0.000 1.369 56 H HN 0.187 nan 8.280 nan 0.000 0.492 57 A N 0.575 123.621 122.820 0.376 0.000 1.902 57 A HA -0.186 4.134 4.320 0.000 0.000 0.217 57 A C 1.994 179.740 177.584 0.269 0.000 1.181 57 A CA 1.847 54.082 52.037 0.331 0.000 0.623 57 A CB -0.353 18.653 19.000 0.011 0.000 0.818 57 A HN 0.540 nan 8.150 nan 0.000 0.443 58 D N -0.287 120.219 120.400 0.177 0.000 2.117 58 D HA -0.091 4.549 4.640 0.000 0.000 0.198 58 D C 2.073 178.445 176.300 0.120 0.000 0.982 58 D CA 1.331 55.406 54.000 0.125 0.000 0.828 58 D CB -0.522 40.332 40.800 0.089 0.000 0.967 58 D HN 0.204 nan 8.370 nan 0.000 0.464 59 V N 0.761 120.750 119.914 0.125 0.000 2.295 59 V HA -0.216 3.904 4.120 0.000 0.000 0.246 59 V C 2.666 178.806 176.094 0.078 0.000 1.049 59 V CA 1.106 63.456 62.300 0.083 0.000 1.024 59 V CB -0.460 31.397 31.823 0.055 0.000 0.648 59 V HN 0.060 nan 8.190 nan 0.000 0.447 60 V N -0.955 119.031 119.914 0.120 0.000 2.332 60 V HA -0.333 3.787 4.120 0.000 0.000 0.248 60 V C 2.404 178.539 176.094 0.069 0.000 1.055 60 V CA 2.305 64.633 62.300 0.047 0.000 1.038 60 V CB -0.630 31.159 31.823 -0.056 0.000 0.651 60 V HN 0.438 nan 8.190 nan 0.000 0.450 61 M N -1.149 118.532 119.600 0.136 0.000 2.132 61 M HA -0.125 4.355 4.480 0.000 0.000 0.263 61 M C 2.088 178.428 176.300 0.065 0.000 1.065 61 M CA 1.787 57.152 55.300 0.109 0.000 1.122 61 M CB -0.724 31.948 32.600 0.120 0.000 1.365 61 M HN 0.279 nan 8.290 nan 0.000 0.411 62 M N -1.053 118.583 119.600 0.060 0.000 2.086 62 M HA -0.240 4.240 4.480 0.000 0.000 0.261 62 M C 1.735 178.053 176.300 0.031 0.000 1.067 62 M CA 1.839 57.164 55.300 0.042 0.000 1.116 62 M CB -0.328 32.296 32.600 0.040 0.000 1.348 62 M HN 0.246 nan 8.290 nan 0.000 0.407 63 T N 1.364 115.934 114.554 0.026 0.000 2.684 63 T HA -0.161 4.189 4.350 0.000 0.000 0.267 63 T C 1.689 176.395 174.700 0.010 0.000 1.036 63 T CA 1.233 63.341 62.100 0.013 0.000 1.148 63 T CB -0.311 68.555 68.868 -0.004 0.000 0.863 63 T HN 0.212 nan 8.240 nan 0.000 0.436 64 L N 1.522 122.752 121.223 0.012 0.000 2.012 64 L HA -0.084 4.256 4.340 0.000 0.000 0.210 64 L C 2.355 179.234 176.870 0.015 0.000 1.073 64 L CA 1.761 56.607 54.840 0.011 0.000 0.748 64 L CB -1.385 40.687 42.059 0.022 0.000 0.891 64 L HN 0.257 nan 8.230 nan 0.000 0.431 65 D N -0.566 119.847 120.400 0.022 0.000 2.087 65 D HA -0.217 4.423 4.640 0.000 0.000 0.192 65 D C 2.344 178.654 176.300 0.017 0.000 0.993 65 D CA 1.511 55.524 54.000 0.021 0.000 0.828 65 D CB -0.147 40.668 40.800 0.025 0.000 0.968 65 D HN 0.285 nan 8.370 nan 0.000 0.448 66 L N 0.006 121.240 121.223 0.018 0.000 2.127 66 L HA -0.120 4.220 4.340 0.000 0.000 0.211 66 L C 2.605 179.485 176.870 0.017 0.000 1.089 66 L CA 1.113 55.964 54.840 0.018 0.000 0.757 66 L CB -0.529 41.543 42.059 0.022 0.000 0.899 66 L HN 0.083 nan 8.230 nan 0.000 0.434 67 A N -0.834 121.995 122.820 0.014 0.000 1.969 67 A HA -0.247 4.073 4.320 0.000 0.000 0.218 67 A C 1.222 178.809 177.584 0.005 0.000 1.169 67 A CA 1.266 53.309 52.037 0.010 0.000 0.635 67 A CB -0.389 18.611 19.000 0.001 0.000 0.810 67 A HN 0.522 nan 8.150 nan 0.000 0.445 68 D N -2.705 117.698 120.400 0.006 0.000 2.701 68 D HA -0.158 4.482 4.640 0.000 0.000 0.235 68 D C 0.999 177.298 176.300 -0.001 0.000 1.155 68 D CA 1.870 55.873 54.000 0.004 0.000 0.649 68 D CB -1.580 39.223 40.800 0.005 0.000 1.050 68 D HN 1.403 nan 8.370 nan 0.000 0.425 69 G N -0.436 108.361 108.800 -0.005 0.000 2.189 69 G HA2 -0.456 3.504 3.960 0.000 0.000 0.267 69 G HA3 -0.456 3.504 3.960 0.000 0.000 0.267 69 G C 1.241 176.131 174.900 -0.016 0.000 0.975 69 G CA 0.759 45.853 45.100 -0.011 0.000 0.644 69 G HN 0.574 nan 8.290 nan 0.000 0.537 70 R N -0.518 119.974 120.500 -0.012 0.000 2.235 70 R HA 0.433 4.773 4.340 0.000 0.000 0.213 70 R C 1.103 177.389 176.300 -0.022 0.000 1.059 70 R CA 1.233 57.324 56.100 -0.015 0.000 0.997 70 R CB 0.368 30.663 30.300 -0.008 0.000 0.884 70 R HN 0.583 nan 8.270 nan 0.000 0.462 71 I N 0.488 121.042 120.570 -0.025 0.000 2.722 71 I HA 0.303 4.473 4.170 0.000 0.000 0.292 71 I C -2.789 173.298 176.117 -0.049 0.000 1.267 71 I CA -2.780 58.498 61.300 -0.037 0.000 1.036 71 I CB 2.517 40.504 38.000 -0.020 0.000 1.281 71 I HN -0.188 nan 8.210 nan 0.000 0.423 72 P HA 0.241 nan 4.420 nan 0.000 0.271 72 P C -1.332 175.925 177.300 -0.070 0.000 1.218 72 P CA -0.219 62.830 63.100 -0.086 0.000 0.780 72 P CB 0.837 32.447 31.700 -0.149 0.000 0.901 73 V N 4.030 123.912 119.914 -0.054 0.000 2.540 73 V HA 0.428 4.548 4.120 0.000 0.000 0.302 73 V C 0.116 176.187 176.094 -0.039 0.000 1.035 73 V CA -0.481 61.788 62.300 -0.052 0.000 0.873 73 V CB 1.660 33.451 31.823 -0.053 0.000 0.992 73 V HN 0.385 nan 8.190 nan 0.000 0.428 74 I N 3.537 124.084 120.570 -0.038 0.000 2.433 74 I HA 0.736 4.906 4.170 0.000 0.000 0.292 74 I C 0.325 176.389 176.117 -0.089 0.000 1.001 74 I CA -0.511 60.778 61.300 -0.019 0.000 1.119 74 I CB 1.923 39.946 38.000 0.038 0.000 1.289 74 I HN 0.704 nan 8.210 nan 0.000 0.438 75 A N 4.372 127.105 122.820 -0.145 0.000 2.312 75 A HA 0.743 5.063 4.320 0.000 0.000 0.326 75 A C 0.257 177.791 177.584 -0.085 0.000 1.172 75 A CA -0.530 51.375 52.037 -0.220 0.000 0.821 75 A CB 0.896 19.532 19.000 -0.607 0.000 1.166 75 A HN 0.826 nan 8.150 nan 0.000 0.493 76 G N 0.519 109.322 108.800 0.005 0.000 2.364 76 G HA2 0.435 4.395 3.960 0.000 0.000 0.267 76 G HA3 0.435 4.395 3.960 0.000 0.000 0.267 76 G C 0.518 175.563 174.900 0.243 0.000 1.233 76 G CA 0.523 45.688 45.100 0.108 0.000 0.885 76 G HN 1.219 nan 8.290 nan 0.000 0.490 77 T N -0.263 114.418 114.554 0.212 0.000 3.337 77 T HA 0.385 4.735 4.350 0.000 0.000 0.299 77 T C 0.930 175.769 174.700 0.231 0.000 0.998 77 T CA 0.139 62.365 62.100 0.210 0.000 0.948 77 T CB 0.473 69.440 68.868 0.164 0.000 1.170 77 T HN 0.702 nan 8.240 nan 0.000 0.508 78 G N 0.750 109.727 108.800 0.295 0.000 2.527 78 G HA2 0.628 4.588 3.960 0.000 0.000 0.248 78 G HA3 0.628 4.588 3.960 0.000 0.000 0.248 78 G C -0.352 174.753 174.900 0.342 0.000 1.231 78 G CA -0.128 45.173 45.100 0.335 0.000 0.838 78 G HN 0.874 nan 8.290 nan 0.000 0.570 79 A N 0.609 123.601 122.820 0.287 0.000 2.612 79 A HA 0.566 4.886 4.320 0.000 0.000 0.293 79 A C 0.355 177.907 177.584 -0.053 0.000 1.075 79 A CA -0.405 51.753 52.037 0.202 0.000 0.680 79 A CB 0.870 19.993 19.000 0.205 0.000 1.279 79 A HN 0.898 nan 8.150 nan 0.000 0.411 80 N N 0.158 118.662 118.700 -0.327 0.000 2.270 80 N HA 0.393 5.133 4.740 0.000 0.000 0.198 80 N C 0.194 175.562 175.510 -0.237 0.000 1.117 80 N CA 0.459 53.207 53.050 -0.503 0.000 0.845 80 N CB 0.654 38.633 38.487 -0.846 0.000 0.980 80 N HN 0.764 nan 8.380 nan 0.000 0.486 81 A N 0.027 122.812 122.820 -0.059 0.000 2.343 81 A HA 0.408 4.728 4.320 0.000 0.000 0.308 81 A C 0.885 178.533 177.584 0.106 0.000 1.092 81 A CA -0.684 51.355 52.037 0.004 0.000 0.751 81 A CB 1.339 20.342 19.000 0.005 0.000 1.203 81 A HN 0.144 nan 8.150 nan 0.000 0.452 82 T N 1.911 116.548 114.554 0.138 0.000 2.720 82 T HA -0.182 4.168 4.350 0.000 0.000 0.268 82 T C 2.236 176.932 174.700 -0.007 0.000 1.037 82 T CA 2.284 64.432 62.100 0.080 0.000 1.144 82 T CB -0.240 68.663 68.868 0.058 0.000 0.864 82 T HN 0.950 nan 8.240 nan 0.000 0.444 83 A N 1.326 124.145 122.820 -0.001 0.000 1.902 83 A HA -0.161 4.159 4.320 0.000 0.000 0.217 83 A C 2.259 179.842 177.584 -0.001 0.000 1.181 83 A CA 1.910 53.934 52.037 -0.022 0.000 0.623 83 A CB -0.661 18.326 19.000 -0.022 0.000 0.818 83 A HN 0.612 nan 8.150 nan 0.000 0.443 84 E N -0.186 120.035 120.200 0.036 0.000 2.077 84 E HA -0.141 4.209 4.350 0.000 0.000 0.193 84 E C 2.177 178.838 176.600 0.103 0.000 0.989 84 E CA 1.008 57.462 56.400 0.088 0.000 0.800 84 E CB -0.247 29.519 29.700 0.110 0.000 0.746 84 E HN 0.543 nan 8.360 nan 0.000 0.452 85 A N 1.183 124.048 122.820 0.075 0.000 1.877 85 A HA -0.182 4.138 4.320 0.000 0.000 0.216 85 A C 2.171 179.759 177.584 0.006 0.000 1.186 85 A CA 1.405 53.471 52.037 0.050 0.000 0.620 85 A CB -0.663 18.331 19.000 -0.010 0.000 0.822 85 A HN 0.326 nan 8.150 nan 0.000 0.443 86 I N -0.244 120.311 120.570 -0.025 0.000 2.226 86 I HA -0.239 3.931 4.170 0.000 0.000 0.245 86 I C 2.696 178.792 176.117 -0.035 0.000 1.100 86 I CA 1.503 62.784 61.300 -0.031 0.000 1.374 86 I CB -0.272 37.680 38.000 -0.079 0.000 1.057 86 I HN 0.248 nan 8.210 nan 0.000 0.413 87 S N 0.708 116.388 115.700 -0.034 0.000 2.356 87 S HA -0.161 4.309 4.470 0.000 0.000 0.223 87 S C 1.906 176.456 174.600 -0.084 0.000 1.032 87 S CA 1.103 59.276 58.200 -0.044 0.000 1.005 87 S CB -0.396 62.800 63.200 -0.007 0.000 0.867 87 S HN 0.272 nan 8.310 nan 0.000 0.449 88 L N 1.962 123.135 121.223 -0.083 0.000 2.042 88 L HA -0.111 4.230 4.340 0.000 0.000 0.210 88 L C 2.257 179.036 176.870 -0.150 0.000 1.076 88 L CA 1.909 56.613 54.840 -0.226 0.000 0.749 88 L CB -1.469 40.438 42.059 -0.254 0.000 0.893 88 L HN 0.246 nan 8.230 nan 0.000 0.432 89 T N -1.013 113.534 114.554 -0.012 0.000 2.746 89 T HA -0.221 4.129 4.350 0.000 0.000 0.267 89 T C 1.799 176.512 174.700 0.021 0.000 1.039 89 T CA 1.603 63.749 62.100 0.077 0.000 1.142 89 T CB -0.203 68.710 68.868 0.075 0.000 0.866 89 T HN 0.463 nan 8.240 nan 0.000 0.444 90 Q N 0.436 120.212 119.800 -0.041 0.000 2.226 90 Q HA 0.003 4.344 4.340 0.000 0.000 0.204 90 Q C 2.397 178.321 176.000 -0.127 0.000 0.975 90 Q CA 0.927 56.698 55.803 -0.054 0.000 0.866 90 Q CB -0.117 28.589 28.738 -0.052 0.000 0.915 90 Q HN 0.438 nan 8.270 nan 0.000 0.440 91 R N -0.768 119.567 120.500 -0.276 0.000 2.280 91 R HA -0.043 4.297 4.340 0.000 0.000 0.207 91 R C 0.687 176.673 176.300 -0.524 0.000 1.043 91 R CA 0.652 56.487 56.100 -0.442 0.000 1.006 91 R CB 0.230 30.147 30.300 -0.638 0.000 0.885 91 R HN 0.209 nan 8.270 nan 0.000 0.467 92 F N -0.333 119.592 119.950 -0.041 0.000 2.682 92 F HA 0.187 4.714 4.527 0.000 0.000 0.308 92 F C 1.509 177.305 175.800 -0.007 0.000 1.093 92 F CA -0.671 57.315 58.000 -0.023 0.000 1.244 92 F CB -0.128 38.856 39.000 -0.026 0.000 1.052 92 F HN -0.155 nan 8.300 nan 0.000 0.573 93 N N 0.868 119.639 118.700 0.118 0.000 2.112 93 N HA -0.230 4.510 4.740 0.000 0.000 0.200 93 N C 0.610 176.166 175.510 0.077 0.000 1.011 93 N CA 2.097 55.197 53.050 0.083 0.000 0.891 93 N CB -0.253 38.259 38.487 0.042 0.000 1.060 93 N HN 0.294 nan 8.380 nan 0.000 0.478 94 D N -1.293 119.148 120.400 0.067 0.000 2.623 94 D HA 0.127 4.767 4.640 0.000 0.000 0.252 94 D C 0.824 177.164 176.300 0.065 0.000 1.294 94 D CA 0.026 54.060 54.000 0.056 0.000 0.824 94 D CB 0.231 41.053 40.800 0.036 0.000 1.070 94 D HN 0.235 nan 8.370 nan 0.000 0.487 95 S N -0.310 115.451 115.700 0.102 0.000 2.423 95 S HA 0.058 4.528 4.470 0.000 0.000 0.231 95 S C 1.792 176.438 174.600 0.077 0.000 1.014 95 S CA 1.059 59.328 58.200 0.115 0.000 0.965 95 S CB 0.188 63.520 63.200 0.220 0.000 0.785 95 S HN 0.339 nan 8.310 nan 0.000 0.495 96 G N 1.289 110.126 108.800 0.062 0.000 2.192 96 G HA2 -0.163 3.797 3.960 0.000 0.000 0.193 96 G HA3 -0.163 3.797 3.960 0.000 0.000 0.193 96 G C 0.077 174.992 174.900 0.024 0.000 0.999 96 G CA -0.258 44.864 45.100 0.037 0.000 0.659 96 G HN 0.912 nan 8.290 nan 0.000 0.503 97 I N -0.118 120.468 120.570 0.027 0.000 2.779 97 I HA 0.549 4.719 4.170 0.000 0.000 0.285 97 I C 1.850 177.985 176.117 0.030 0.000 1.134 97 I CA -0.393 60.907 61.300 0.001 0.000 1.398 97 I CB 1.173 39.143 38.000 -0.050 0.000 1.404 97 I HN 0.221 nan 8.210 nan 0.000 0.587 98 V N 1.390 121.330 119.914 0.043 0.000 3.235 98 V HA 0.564 4.684 4.120 0.000 0.000 0.259 98 V C 0.848 177.069 176.094 0.212 0.000 1.133 98 V CA 0.790 63.152 62.300 0.103 0.000 1.128 98 V CB -1.089 30.757 31.823 0.040 0.000 0.757 98 V HN 1.168 nan 8.190 nan 0.000 0.469 99 G N -1.730 107.157 108.800 0.145 0.000 2.441 99 G HA2 0.473 4.433 3.960 0.000 0.000 0.294 99 G HA3 0.473 4.433 3.960 0.000 0.000 0.294 99 G C -1.682 173.226 174.900 0.013 0.000 1.393 99 G CA 0.027 45.176 45.100 0.082 0.000 0.796 99 G HN 0.288 nan 8.290 nan 0.000 0.494 100 C N -0.401 118.881 119.300 -0.029 0.000 2.563 100 C HA 0.740 5.200 4.460 0.000 0.000 0.314 100 C C -0.293 174.681 174.990 -0.026 0.000 1.199 100 C CA -0.694 58.315 59.018 -0.016 0.000 1.564 100 C CB 0.853 28.609 27.740 0.027 0.000 2.173 100 C HN 0.784 nan 8.230 nan 0.000 0.485 101 L N 2.693 123.915 121.223 -0.001 0.000 2.262 101 L HA 0.582 4.922 4.340 0.000 0.000 0.288 101 L C 0.233 177.179 176.870 0.127 0.000 1.035 101 L CA 0.670 55.514 54.840 0.007 0.000 0.820 101 L CB 0.940 42.968 42.059 -0.050 0.000 1.204 101 L HN 0.826 nan 8.230 nan 0.000 0.424 102 T N 4.924 119.588 114.554 0.183 0.000 2.809 102 T HA 0.382 4.732 4.350 0.000 0.000 0.296 102 T C -0.678 174.307 174.700 0.475 0.000 1.015 102 T CA -0.360 61.938 62.100 0.331 0.000 0.954 102 T CB 0.676 69.754 68.868 0.349 0.000 0.950 102 T HN 0.438 nan 8.240 nan 0.000 0.450 103 V N 6.559 126.763 119.914 0.484 0.000 2.775 103 V HA 0.441 4.561 4.120 0.000 0.000 0.299 103 V C 0.982 177.335 176.094 0.432 0.000 1.062 103 V CA -0.118 62.426 62.300 0.406 0.000 1.063 103 V CB 1.148 33.133 31.823 0.269 0.000 0.994 103 V HN 1.108 nan 8.190 nan 0.000 0.483 104 T N 5.685 120.460 114.554 0.368 0.000 2.934 104 T HA 0.193 4.543 4.350 0.000 0.000 0.306 104 T C -2.510 172.201 174.700 0.019 0.000 1.042 104 T CA -0.995 61.273 62.100 0.281 0.000 1.145 104 T CB 0.479 69.465 68.868 0.197 0.000 0.982 104 T HN 0.608 nan 8.240 nan 0.000 0.544 105 P HA 0.074 nan 4.420 nan 0.000 0.260 105 P C -0.641 176.508 177.300 -0.252 0.000 1.172 105 P CA 0.121 62.960 63.100 -0.435 0.000 0.760 105 P CB -0.169 31.176 31.700 -0.591 0.000 0.773 106 Y N 2.547 122.841 120.300 -0.009 0.000 2.403 106 Y HA 0.425 4.975 4.550 0.000 0.000 0.323 106 Y C 1.410 177.392 175.900 0.137 0.000 1.226 106 Y CA -1.154 56.971 58.100 0.043 0.000 1.235 106 Y CB 0.162 38.654 38.460 0.053 0.000 1.248 106 Y HN 0.505 nan 8.280 nan 0.000 0.489 107 Y N 1.135 121.518 120.300 0.139 0.000 2.749 107 Y HA -0.465 4.085 4.550 0.000 0.000 0.482 107 Y C 1.447 177.346 175.900 -0.002 0.000 1.210 107 Y CA 2.468 60.616 58.100 0.081 0.000 2.729 107 Y CB -1.642 36.905 38.460 0.144 0.000 0.974 107 Y HN 0.815 nan 8.280 nan 0.000 0.548 108 N N 1.754 120.390 118.700 -0.106 0.000 2.494 108 N HA -0.020 4.720 4.740 0.000 0.000 0.182 108 N C 0.018 175.427 175.510 -0.168 0.000 1.076 108 N CA 1.184 54.117 53.050 -0.196 0.000 0.908 108 N CB -0.461 37.956 38.487 -0.117 0.000 0.967 108 N HN 0.595 nan 8.380 nan 0.000 0.449 109 R N 0.331 120.754 120.500 -0.129 0.000 2.865 109 R HA -0.106 4.234 4.340 0.000 0.000 0.269 109 R C -2.200 174.048 176.300 -0.087 0.000 0.915 109 R CA 0.323 56.367 56.100 -0.094 0.000 0.715 109 R CB -1.587 28.659 30.300 -0.090 0.000 1.735 109 R HN 0.481 nan 8.270 nan 0.000 0.506 110 P HA 0.140 nan 4.420 nan 0.000 0.278 110 P C -0.083 177.194 177.300 -0.038 0.000 1.266 110 P CA -0.619 62.435 63.100 -0.077 0.000 0.807 110 P CB 1.037 32.666 31.700 -0.119 0.000 1.094 111 S N 0.235 115.923 115.700 -0.019 0.000 2.655 111 S HA 0.079 4.549 4.470 0.000 0.000 0.265 111 S C 1.357 175.977 174.600 0.033 0.000 1.240 111 S CA -0.497 57.706 58.200 0.005 0.000 0.986 111 S CB 0.435 63.639 63.200 0.006 0.000 0.985 111 S HN 0.351 nan 8.310 nan 0.000 0.562 112 Q N 0.480 120.307 119.800 0.044 0.000 2.135 112 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 112 Q C 1.989 178.059 176.000 0.117 0.000 0.981 112 Q CA 2.056 57.905 55.803 0.077 0.000 0.856 112 Q CB -0.716 28.053 28.738 0.052 0.000 0.902 112 Q HN 0.928 nan 8.270 nan 0.000 0.425 113 E N -0.134 120.119 120.200 0.087 0.000 2.072 113 E HA -0.093 4.257 4.350 0.000 0.000 0.191 113 E C 1.959 178.654 176.600 0.158 0.000 0.985 113 E CA 1.460 57.935 56.400 0.125 0.000 0.801 113 E CB -0.708 29.034 29.700 0.070 0.000 0.750 113 E HN 0.364 nan 8.360 nan 0.000 0.452 114 G N 0.554 109.403 108.800 0.083 0.000 2.418 114 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 114 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 114 G C 1.415 176.341 174.900 0.042 0.000 1.158 114 G CA 0.867 45.994 45.100 0.044 0.000 0.771 114 G HN 0.270 nan 8.290 nan 0.000 0.545 115 L N -0.365 120.893 121.223 0.059 0.000 2.012 115 L HA -0.053 4.287 4.340 0.000 0.000 0.210 115 L C 2.474 179.474 176.870 0.217 0.000 1.073 115 L CA 1.353 56.242 54.840 0.082 0.000 0.748 115 L CB -1.220 40.947 42.059 0.180 0.000 0.891 115 L HN 0.412 nan 8.230 nan 0.000 0.431 116 Y N -0.011 120.380 120.300 0.151 0.000 2.145 116 Y HA -0.275 4.275 4.550 0.000 0.000 0.286 116 Y C 2.617 178.599 175.900 0.136 0.000 1.145 116 Y CA 1.729 59.931 58.100 0.169 0.000 1.148 116 Y CB -0.139 38.382 38.460 0.102 0.000 0.981 116 Y HN 0.242 nan 8.280 nan 0.000 0.507 117 Q N -0.636 119.183 119.800 0.033 0.000 2.096 117 Q HA -0.258 4.082 4.340 0.000 0.000 0.204 117 Q C 2.175 178.126 176.000 -0.082 0.000 0.982 117 Q CA 2.061 57.833 55.803 -0.052 0.000 0.850 117 Q CB -0.921 27.850 28.738 0.056 0.000 0.901 117 Q HN 0.701 nan 8.270 nan 0.000 0.422 118 H N 0.080 119.040 119.070 -0.184 0.000 2.253 118 H HA -0.157 4.399 4.556 0.000 0.000 0.296 118 H C 1.656 176.824 175.328 -0.268 0.000 1.074 118 H CA 2.094 57.968 56.048 -0.289 0.000 1.263 118 H CB -0.342 29.120 29.762 -0.500 0.000 1.363 118 H HN 0.133 nan 8.280 nan 0.000 0.489 119 F N 0.620 120.538 119.950 -0.055 0.000 2.216 119 F HA -0.034 4.493 4.527 0.000 0.000 0.300 119 F C 2.599 178.292 175.800 -0.178 0.000 1.085 119 F CA 1.462 59.391 58.000 -0.119 0.000 1.326 119 F CB -0.531 38.464 39.000 -0.009 0.000 1.027 119 F HN 0.194 nan 8.300 nan 0.000 0.497 120 K N 0.676 121.007 120.400 -0.115 0.000 2.057 120 K HA -0.104 4.216 4.320 0.000 0.000 0.207 120 K C 2.230 178.759 176.600 -0.119 0.000 1.049 120 K CA 1.320 57.489 56.287 -0.197 0.000 0.931 120 K CB -0.400 31.837 32.500 -0.438 0.000 0.714 120 K HN 0.108 nan 8.250 nan 0.000 0.440 121 A N 1.024 123.780 122.820 -0.107 0.000 1.877 121 A HA -0.138 4.182 4.320 0.000 0.000 0.216 121 A C 2.181 179.778 177.584 0.022 0.000 1.186 121 A CA 1.806 53.826 52.037 -0.029 0.000 0.620 121 A CB -0.720 18.266 19.000 -0.024 0.000 0.822 121 A HN 0.370 nan 8.150 nan 0.000 0.443 122 I N -0.197 120.342 120.570 -0.052 0.000 2.163 122 I HA -0.302 3.868 4.170 0.000 0.000 0.243 122 I C 2.982 179.109 176.117 0.017 0.000 1.085 122 I CA 1.198 62.489 61.300 -0.015 0.000 1.347 122 I CB -0.365 37.599 38.000 -0.061 0.000 1.044 122 I HN 0.354 nan 8.210 nan 0.000 0.408 123 A N 0.241 123.061 122.820 -0.001 0.000 1.940 123 A HA -0.236 4.084 4.320 0.000 0.000 0.219 123 A C 2.187 179.733 177.584 -0.063 0.000 1.176 123 A CA 1.740 53.768 52.037 -0.014 0.000 0.631 123 A CB -0.620 18.373 19.000 -0.011 0.000 0.814 123 A HN 0.482 nan 8.150 nan 0.000 0.446 124 E N -1.189 118.932 120.200 -0.131 0.000 2.204 124 E HA -0.166 4.184 4.350 0.000 0.000 0.194 124 E C 0.676 177.028 176.600 -0.414 0.000 0.989 124 E CA 1.059 57.294 56.400 -0.275 0.000 0.824 124 E CB -0.163 29.316 29.700 -0.367 0.000 0.756 124 E HN 0.869 nan 8.360 nan 0.000 0.477 125 H N -0.952 118.107 119.070 -0.019 0.000 2.507 125 H HA 0.208 4.764 4.556 0.000 0.000 0.294 125 H C -0.203 175.121 175.328 -0.006 0.000 1.064 125 H CA 0.145 56.184 56.048 -0.015 0.000 1.138 125 H CB 0.777 30.526 29.762 -0.023 0.000 1.515 125 H HN -0.111 nan 8.280 nan 0.000 0.547 126 T N -0.922 113.655 114.554 0.039 0.000 2.792 126 T HA 0.147 4.497 4.350 0.000 0.000 0.303 126 T C -0.494 174.217 174.700 0.018 0.000 1.310 126 T CA -0.662 61.463 62.100 0.042 0.000 1.007 126 T CB 1.247 70.146 68.868 0.053 0.000 1.335 126 T HN 0.325 nan 8.240 nan 0.000 0.504 127 D N 0.734 121.150 120.400 0.026 0.000 2.474 127 D HA 0.246 4.886 4.640 0.000 0.000 0.213 127 D C 0.448 176.762 176.300 0.023 0.000 1.120 127 D CA -0.254 53.757 54.000 0.019 0.000 0.836 127 D CB 0.145 40.957 40.800 0.020 0.000 1.019 127 D HN 0.172 nan 8.370 nan 0.000 0.507 128 L N 1.488 122.730 121.223 0.032 0.000 2.426 128 L HA 0.338 4.678 4.340 0.000 0.000 0.271 128 L C -2.136 174.736 176.870 0.003 0.000 1.169 128 L CA -1.856 53.004 54.840 0.032 0.000 0.836 128 L CB -0.077 42.010 42.059 0.047 0.000 1.112 128 L HN -0.135 nan 8.230 nan 0.000 0.465 129 P HA 0.110 nan 4.420 nan 0.000 0.271 129 P C -0.692 176.523 177.300 -0.142 0.000 1.216 129 P CA -0.267 62.774 63.100 -0.099 0.000 0.771 129 P CB 0.585 32.190 31.700 -0.157 0.000 0.864 130 Q N 2.479 122.191 119.800 -0.146 0.000 2.293 130 Q HA 0.488 4.828 4.340 0.000 0.000 0.261 130 Q C -0.302 175.566 176.000 -0.220 0.000 0.960 130 Q CA -0.326 55.400 55.803 -0.128 0.000 0.882 130 Q CB 1.739 30.446 28.738 -0.052 0.000 1.275 130 Q HN 0.457 nan 8.270 nan 0.000 0.445 131 I N 3.351 123.795 120.570 -0.211 0.000 2.382 131 I HA 0.171 4.341 4.170 0.000 0.000 0.286 131 I C -0.531 175.498 176.117 -0.148 0.000 1.002 131 I CA -0.962 60.189 61.300 -0.248 0.000 1.135 131 I CB 1.144 38.981 38.000 -0.272 0.000 1.288 131 I HN 0.224 nan 8.210 nan 0.000 0.448 132 L N 6.874 127.987 121.223 -0.182 0.000 2.452 132 L HA 0.142 4.482 4.340 0.000 0.000 0.267 132 L C -0.469 176.423 176.870 0.036 0.000 1.188 132 L CA 0.153 54.862 54.840 -0.218 0.000 0.821 132 L CB -0.187 41.679 42.059 -0.322 0.000 1.102 132 L HN 0.372 nan 8.230 nan 0.000 0.470 133 Y N 2.985 123.260 120.300 -0.042 0.000 2.327 133 Y HA 0.374 4.924 4.550 0.000 0.000 0.325 133 Y C -0.636 175.317 175.900 0.088 0.000 0.999 133 Y CA -1.862 56.260 58.100 0.036 0.000 1.195 133 Y CB 1.145 39.648 38.460 0.072 0.000 1.132 133 Y HN 0.703 nan 8.280 nan 0.000 0.455 134 N N 4.396 123.216 118.700 0.199 0.000 2.469 134 N HA 0.489 5.229 4.740 0.000 0.000 0.253 134 N C -1.886 173.599 175.510 -0.041 0.000 0.970 134 N CA -0.212 52.860 53.050 0.037 0.000 0.940 134 N CB 1.413 39.957 38.487 0.096 0.000 1.128 134 N HN 0.403 nan 8.380 nan 0.000 0.503 135 V N 6.912 126.716 119.914 -0.183 0.000 2.558 135 V HA 0.413 4.534 4.120 0.000 0.000 0.261 135 V C -2.059 173.990 176.094 -0.075 0.000 0.958 135 V CA -1.671 60.551 62.300 -0.130 0.000 0.852 135 V CB 1.518 33.197 31.823 -0.240 0.000 1.067 135 V HN 0.622 nan 8.190 nan 0.000 0.468 136 P HA -0.139 nan 4.420 nan 0.000 0.218 136 P C 1.785 179.085 177.300 0.001 0.000 1.146 136 P CA 2.012 65.110 63.100 -0.003 0.000 0.813 136 P CB 0.188 31.894 31.700 0.009 0.000 0.778 137 S N -0.720 114.978 115.700 -0.004 0.000 2.419 137 S HA -0.100 4.370 4.470 0.000 0.000 0.233 137 S C 1.801 176.406 174.600 0.009 0.000 1.016 137 S CA 0.822 59.023 58.200 0.003 0.000 0.974 137 S CB -0.696 62.502 63.200 -0.002 0.000 0.786 137 S HN 0.215 nan 8.310 nan 0.000 0.492 138 R N 0.594 121.093 120.500 -0.001 0.000 2.225 138 R HA 0.139 4.480 4.340 0.000 0.000 0.194 138 R C 2.288 178.603 176.300 0.025 0.000 0.957 138 R CA 1.146 57.246 56.100 0.000 0.000 1.042 138 R CB -0.273 30.011 30.300 -0.026 0.000 1.004 138 R HN 0.679 nan 8.270 nan 0.000 0.509 139 T N -3.193 111.384 114.554 0.038 0.000 3.037 139 T HA 0.184 4.534 4.350 0.000 0.000 0.252 139 T C 1.515 176.274 174.700 0.098 0.000 1.073 139 T CA 0.672 62.839 62.100 0.112 0.000 1.091 139 T CB 0.750 69.674 68.868 0.093 0.000 0.935 139 T HN 0.324 nan 8.240 nan 0.000 0.488 140 G N 0.930 109.761 108.800 0.053 0.000 2.159 140 G HA2 -0.254 3.706 3.960 0.000 0.000 0.256 140 G HA3 -0.254 3.706 3.960 0.000 0.000 0.256 140 G C 0.351 175.261 174.900 0.016 0.000 0.977 140 G CA 0.334 45.454 45.100 0.034 0.000 0.652 140 G HN 1.520 nan 8.290 nan 0.000 0.531 141 C N -0.817 118.495 119.300 0.019 0.000 3.090 141 C HA 0.836 5.296 4.460 0.000 0.000 0.305 141 C C -1.123 173.882 174.990 0.025 0.000 1.292 141 C CA -0.600 58.426 59.018 0.014 0.000 1.482 141 C CB 2.204 29.945 27.740 0.001 0.000 1.897 141 C HN 0.430 nan 8.230 nan 0.000 0.469 142 D N 2.056 122.475 120.400 0.031 0.000 2.549 142 D HA 0.432 5.073 4.640 0.000 0.000 0.251 142 D C -0.996 175.342 176.300 0.064 0.000 1.153 142 D CA -0.202 53.824 54.000 0.043 0.000 0.861 142 D CB 1.610 42.429 40.800 0.032 0.000 1.207 142 D HN 0.722 nan 8.370 nan 0.000 0.543 143 L N 5.388 126.664 121.223 0.088 0.000 2.454 143 L HA 0.316 4.656 4.340 0.000 0.000 0.284 143 L C -0.631 176.290 176.870 0.086 0.000 1.139 143 L CA 0.001 54.910 54.840 0.115 0.000 0.911 143 L CB -0.317 41.829 42.059 0.146 0.000 1.262 143 L HN 0.421 nan 8.230 nan 0.000 0.453 144 L N 6.867 128.132 121.223 0.070 0.000 2.473 144 L HA 0.178 4.518 4.340 0.000 0.000 0.268 144 L C -1.059 175.837 176.870 0.043 0.000 1.215 144 L CA -1.415 53.455 54.840 0.049 0.000 0.823 144 L CB -0.162 41.917 42.059 0.033 0.000 1.099 144 L HN 0.420 nan 8.230 nan 0.000 0.483 145 P HA -0.221 nan 4.420 nan 0.000 0.216 145 P C 1.209 178.502 177.300 -0.011 0.000 1.150 145 P CA 1.261 64.367 63.100 0.010 0.000 0.843 145 P CB 0.038 31.739 31.700 0.002 0.000 0.787 146 E N -1.109 119.086 120.200 -0.009 0.000 2.150 146 E HA -0.119 4.231 4.350 0.000 0.000 0.193 146 E C 1.341 177.933 176.600 -0.014 0.000 0.985 146 E CA 1.557 57.944 56.400 -0.023 0.000 0.814 146 E CB -1.599 28.087 29.700 -0.024 0.000 0.752 146 E HN 0.194 nan 8.360 nan 0.000 0.466 147 T N 1.478 116.045 114.554 0.022 0.000 2.857 147 T HA -0.025 4.325 4.350 0.000 0.000 0.266 147 T C 2.160 176.912 174.700 0.087 0.000 1.048 147 T CA 1.167 63.310 62.100 0.071 0.000 1.139 147 T CB -0.152 68.788 68.868 0.121 0.000 0.874 147 T HN 0.024 nan 8.240 nan 0.000 0.455 148 V N 1.705 121.643 119.914 0.041 0.000 2.407 148 V HA -0.098 4.022 4.120 0.000 0.000 0.248 148 V C 2.882 178.909 176.094 -0.111 0.000 1.055 148 V CA 1.908 64.204 62.300 -0.006 0.000 1.049 148 V CB -1.397 30.422 31.823 -0.007 0.000 0.662 148 V HN 0.585 nan 8.190 nan 0.000 0.455 149 G N -0.221 108.515 108.800 -0.107 0.000 2.422 149 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 149 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 149 G C 1.771 176.622 174.900 -0.081 0.000 1.146 149 G CA 0.572 45.589 45.100 -0.138 0.000 0.769 149 G HN 0.408 nan 8.290 nan 0.000 0.547 150 R N -0.256 120.235 120.500 -0.016 0.000 2.062 150 R HA 0.110 4.450 4.340 0.000 0.000 0.231 150 R C 2.678 179.091 176.300 0.188 0.000 1.136 150 R CA 0.828 56.953 56.100 0.043 0.000 0.948 150 R CB -0.687 29.586 30.300 -0.045 0.000 0.845 150 R HN 0.326 nan 8.270 nan 0.000 0.430 151 L N 0.539 121.900 121.223 0.231 0.000 2.079 151 L HA -0.156 4.184 4.340 0.000 0.000 0.210 151 L C 2.600 179.528 176.870 0.098 0.000 1.081 151 L CA 1.169 56.127 54.840 0.197 0.000 0.752 151 L CB -0.567 41.587 42.059 0.158 0.000 0.896 151 L HN 0.245 nan 8.230 nan 0.000 0.433 152 A N -0.273 122.539 122.820 -0.013 0.000 2.125 152 A HA -0.207 4.113 4.320 0.000 0.000 0.219 152 A C 2.230 179.821 177.584 0.013 0.000 1.156 152 A CA 1.426 53.424 52.037 -0.065 0.000 0.671 152 A CB -0.327 18.331 19.000 -0.571 0.000 0.794 152 A HN 0.328 nan 8.150 nan 0.000 0.459 153 K N -0.530 119.884 120.400 0.024 0.000 2.288 153 K HA 0.070 4.390 4.320 0.000 0.000 0.201 153 K C -0.013 176.621 176.600 0.057 0.000 1.048 153 K CA 0.198 56.508 56.287 0.038 0.000 0.956 153 K CB 0.014 32.538 32.500 0.040 0.000 0.746 153 K HN 0.282 nan 8.250 nan 0.000 0.461 154 V N 2.972 122.929 119.914 0.071 0.000 2.446 154 V HA -0.050 4.070 4.120 0.000 0.000 0.276 154 V C 1.447 177.567 176.094 0.044 0.000 1.030 154 V CA 0.124 62.454 62.300 0.050 0.000 1.033 154 V CB 1.033 32.877 31.823 0.035 0.000 0.993 154 V HN 0.274 nan 8.190 nan 0.000 0.477 155 K N 5.000 125.418 120.400 0.030 0.000 2.097 155 K HA -0.312 4.008 4.320 0.000 0.000 0.214 155 K C 1.655 178.267 176.600 0.021 0.000 1.052 155 K CA 2.536 58.838 56.287 0.026 0.000 0.932 155 K CB -0.056 32.452 32.500 0.014 0.000 0.716 155 K HN 0.677 nan 8.250 nan 0.000 0.455 156 N N 0.548 119.253 118.700 0.008 0.000 2.309 156 N HA -0.019 4.721 4.740 0.000 0.000 0.182 156 N C 0.176 175.672 175.510 -0.023 0.000 1.018 156 N CA 0.652 53.697 53.050 -0.008 0.000 0.876 156 N CB -0.015 38.465 38.487 -0.011 0.000 0.972 156 N HN 0.231 nan 8.380 nan 0.000 0.434 157 I N 2.177 122.752 120.570 0.008 0.000 2.363 157 I HA 0.059 4.229 4.170 0.000 0.000 0.292 157 I C 1.262 177.401 176.117 0.036 0.000 1.075 157 I CA -0.081 61.225 61.300 0.010 0.000 1.333 157 I CB 0.620 38.657 38.000 0.061 0.000 1.415 157 I HN 0.065 nan 8.210 nan 0.000 0.502 158 I N 2.495 122.968 120.570 -0.162 0.000 4.018 158 I HA 0.597 4.767 4.170 0.000 0.000 0.337 158 I C 0.686 176.314 176.117 -0.815 0.000 1.327 158 I CA -0.128 60.987 61.300 -0.307 0.000 1.100 158 I CB 0.468 38.270 38.000 -0.331 0.000 1.025 158 I HN 0.541 nan 8.210 nan 0.000 0.396 159 G N 1.177 109.372 108.800 -1.008 0.000 2.430 159 G HA2 0.568 4.528 3.960 0.000 0.000 0.300 159 G HA3 0.568 4.528 3.960 0.000 0.000 0.300 159 G C -2.135 172.373 174.900 -0.653 0.000 1.330 159 G CA -0.539 43.765 45.100 -1.328 0.000 0.813 159 G HN 0.138 nan 8.290 nan 0.000 0.487 160 I N -0.192 120.180 120.570 -0.331 0.000 2.692 160 I HA 0.601 4.771 4.170 0.000 0.000 0.293 160 I C -0.948 175.177 176.117 0.013 0.000 1.200 160 I CA -0.970 60.313 61.300 -0.028 0.000 1.036 160 I CB 2.156 40.277 38.000 0.202 0.000 1.258 160 I HN 0.494 nan 8.210 nan 0.000 0.421 161 K N 6.776 127.184 120.400 0.013 0.000 2.292 161 K HA 0.291 4.611 4.320 0.000 0.000 0.270 161 K C -0.815 175.845 176.600 0.100 0.000 1.062 161 K CA -0.419 55.853 56.287 -0.025 0.000 0.916 161 K CB 0.869 33.271 32.500 -0.164 0.000 1.166 161 K HN 0.447 nan 8.250 nan 0.000 0.458 162 E N 3.372 123.601 120.200 0.048 0.000 2.115 162 E HA 0.237 4.587 4.350 0.000 0.000 0.282 162 E C -0.667 175.948 176.600 0.025 0.000 0.987 162 E CA -0.141 56.324 56.400 0.108 0.000 0.797 162 E CB 1.661 31.507 29.700 0.244 0.000 1.086 162 E HN 0.722 nan 8.360 nan 0.000 0.397 163 A N 3.057 125.933 122.820 0.093 0.000 2.594 163 A HA 0.065 4.385 4.320 0.000 0.000 0.287 163 A C 1.407 179.008 177.584 0.027 0.000 1.227 163 A CA 0.209 52.278 52.037 0.054 0.000 0.952 163 A CB -0.171 18.924 19.000 0.159 0.000 1.161 163 A HN 0.549 nan 8.150 nan 0.000 0.524 164 T N -4.083 110.496 114.554 0.043 0.000 2.942 164 T HA 0.278 4.628 4.350 0.000 0.000 0.265 164 T C 1.689 176.398 174.700 0.015 0.000 1.062 164 T CA 1.348 63.466 62.100 0.030 0.000 1.139 164 T CB -0.257 68.639 68.868 0.047 0.000 0.883 164 T HN 1.625 nan 8.240 nan 0.000 0.468 165 G N 1.588 110.403 108.800 0.026 0.000 2.179 165 G HA2 -0.262 3.698 3.960 0.000 0.000 0.260 165 G HA3 -0.262 3.698 3.960 0.000 0.000 0.260 165 G C -0.001 174.923 174.900 0.040 0.000 0.977 165 G CA 0.042 45.151 45.100 0.014 0.000 0.641 165 G HN 0.817 nan 8.290 nan 0.000 0.533 166 N N 0.799 119.533 118.700 0.057 0.000 2.469 166 N HA 0.467 5.207 4.740 0.000 0.000 0.239 166 N C 1.568 177.119 175.510 0.068 0.000 1.053 166 N CA -0.506 52.572 53.050 0.047 0.000 0.937 166 N CB 0.341 38.851 38.487 0.039 0.000 1.163 166 N HN 0.211 nan 8.380 nan 0.000 0.509 167 L N 1.749 123.001 121.223 0.049 0.000 2.456 167 L HA -0.074 4.266 4.340 0.000 0.000 0.224 167 L C 1.928 178.782 176.870 -0.027 0.000 1.148 167 L CA 1.003 55.860 54.840 0.028 0.000 0.825 167 L CB -0.574 41.491 42.059 0.010 0.000 0.937 167 L HN 0.602 nan 8.230 nan 0.000 0.450 168 T N -3.654 110.890 114.554 -0.015 0.000 3.035 168 T HA -0.147 4.203 4.350 0.000 0.000 0.268 168 T C 1.925 176.607 174.700 -0.031 0.000 1.109 168 T CA 0.449 62.530 62.100 -0.030 0.000 1.119 168 T CB -0.128 68.729 68.868 -0.018 0.000 0.900 168 T HN 0.122 nan 8.240 nan 0.000 0.503 169 R N 0.817 121.313 120.500 -0.006 0.000 2.115 169 R HA 0.092 4.432 4.340 0.000 0.000 0.230 169 R C 2.319 178.603 176.300 -0.027 0.000 1.111 169 R CA 0.765 56.871 56.100 0.011 0.000 0.976 169 R CB -0.956 29.386 30.300 0.070 0.000 0.870 169 R HN 0.354 nan 8.270 nan 0.000 0.445 170 V N 1.308 121.150 119.914 -0.120 0.000 2.231 170 V HA -0.329 3.791 4.120 0.000 0.000 0.248 170 V C 1.684 177.687 176.094 -0.150 0.000 1.054 170 V CA 2.163 64.308 62.300 -0.258 0.000 1.015 170 V CB -0.493 31.018 31.823 -0.520 0.000 0.638 170 V HN 0.439 nan 8.190 nan 0.000 0.444 171 N N -0.575 118.050 118.700 -0.125 0.000 2.457 171 N HA -0.096 4.644 4.740 0.000 0.000 0.180 171 N C 1.914 177.392 175.510 -0.053 0.000 1.050 171 N CA 0.741 53.741 53.050 -0.084 0.000 0.906 171 N CB -0.013 38.424 38.487 -0.082 0.000 0.968 171 N HN 0.628 nan 8.380 nan 0.000 0.445 172 Q N 0.498 120.272 119.800 -0.044 0.000 2.123 172 Q HA 0.063 4.403 4.340 0.000 0.000 0.199 172 Q C 1.980 177.963 176.000 -0.029 0.000 0.966 172 Q CA 0.836 56.621 55.803 -0.030 0.000 0.845 172 Q CB 0.183 28.910 28.738 -0.019 0.000 0.907 172 Q HN 0.367 nan 8.270 nan 0.000 0.439 173 I N 0.236 120.795 120.570 -0.019 0.000 2.277 173 I HA -0.210 3.960 4.170 0.000 0.000 0.243 173 I C 2.306 178.403 176.117 -0.032 0.000 1.094 173 I CA 0.762 62.051 61.300 -0.018 0.000 1.393 173 I CB -0.118 37.909 38.000 0.046 0.000 1.078 173 I HN 0.052 nan 8.210 nan 0.000 0.417 174 K N 1.438 121.833 120.400 -0.008 0.000 2.089 174 K HA -0.253 4.067 4.320 0.000 0.000 0.210 174 K C 1.887 178.478 176.600 -0.015 0.000 1.048 174 K CA 1.787 58.078 56.287 0.008 0.000 0.926 174 K CB -0.069 32.423 32.500 -0.014 0.000 0.714 174 K HN 0.251 nan 8.250 nan 0.000 0.448 175 E N -0.824 119.358 120.200 -0.030 0.000 2.347 175 E HA -0.095 4.255 4.350 0.000 0.000 0.196 175 E C 0.951 177.524 176.600 -0.045 0.000 1.008 175 E CA 0.346 56.727 56.400 -0.032 0.000 0.852 175 E CB 0.210 29.892 29.700 -0.031 0.000 0.783 175 E HN 0.129 nan 8.360 nan 0.000 0.505 176 L N -0.396 120.787 121.223 -0.067 0.000 2.554 176 L HA 0.093 4.433 4.340 0.000 0.000 0.225 176 L C 0.647 177.439 176.870 -0.131 0.000 1.104 176 L CA 0.393 55.179 54.840 -0.089 0.000 0.866 176 L CB 0.405 42.406 42.059 -0.096 0.000 1.047 176 L HN -0.071 nan 8.230 nan 0.000 0.468 177 V N -4.880 114.942 119.914 -0.154 0.000 3.166 177 V HA 0.654 4.774 4.120 0.000 0.000 0.317 177 V C 0.437 176.484 176.094 -0.077 0.000 1.136 177 V CA -1.096 61.078 62.300 -0.210 0.000 1.035 177 V CB 1.391 32.900 31.823 -0.523 0.000 1.110 177 V HN -0.023 nan 8.190 nan 0.000 0.450 178 S N -0.007 115.668 115.700 -0.042 0.000 2.572 178 S HA 0.047 4.517 4.470 0.000 0.000 0.279 178 S C 0.910 175.562 174.600 0.086 0.000 1.341 178 S CA 0.284 58.503 58.200 0.033 0.000 1.043 178 S CB 0.397 63.630 63.200 0.055 0.000 0.887 178 S HN 0.945 nan 8.310 nan 0.000 0.516 179 D N 1.515 121.955 120.400 0.068 0.000 2.221 179 D HA -0.125 4.515 4.640 0.000 0.000 0.204 179 D C 1.031 177.379 176.300 0.080 0.000 0.982 179 D CA 1.444 55.492 54.000 0.079 0.000 0.857 179 D CB -0.163 40.670 40.800 0.055 0.000 0.934 179 D HN 0.838 nan 8.370 nan 0.000 0.475 180 D N -1.210 119.233 120.400 0.071 0.000 2.328 180 D HA -0.075 4.565 4.640 0.000 0.000 0.221 180 D C 0.314 176.636 176.300 0.037 0.000 1.072 180 D CA -0.453 53.563 54.000 0.028 0.000 0.850 180 D CB -0.991 39.823 40.800 0.024 0.000 0.922 180 D HN 0.073 nan 8.370 nan 0.000 0.516 181 F N 1.373 121.292 119.950 -0.051 0.000 2.467 181 F HA 0.286 4.813 4.527 0.000 0.000 0.362 181 F C -0.016 175.746 175.800 -0.064 0.000 1.090 181 F CA -0.755 57.219 58.000 -0.044 0.000 1.202 181 F CB 0.925 39.923 39.000 -0.004 0.000 1.113 181 F HN -0.287 nan 8.300 nan 0.000 0.541 182 V N 7.449 127.083 119.914 -0.466 0.000 2.461 182 V HA 0.173 4.293 4.120 0.000 0.000 0.275 182 V C -0.373 175.692 176.094 -0.048 0.000 1.047 182 V CA -0.564 61.569 62.300 -0.278 0.000 0.955 182 V CB 1.039 32.708 31.823 -0.257 0.000 0.988 182 V HN 0.414 nan 8.190 nan 0.000 0.471 183 L N 6.891 128.381 121.223 0.444 0.000 2.298 183 L HA 0.536 4.876 4.340 0.000 0.000 0.284 183 L C -0.432 176.713 176.870 0.458 0.000 1.013 183 L CA -0.314 54.785 54.840 0.432 0.000 0.824 183 L CB 1.261 43.563 42.059 0.405 0.000 1.221 183 L HN 0.337 nan 8.230 nan 0.000 0.418 184 L N 1.844 123.201 121.223 0.224 0.000 2.346 184 L HA 0.501 4.841 4.340 0.000 0.000 0.276 184 L C 0.462 177.066 176.870 -0.444 0.000 1.006 184 L CA -0.231 54.603 54.840 -0.010 0.000 0.817 184 L CB 1.845 43.879 42.059 -0.043 0.000 1.272 184 L HN 0.583 nan 8.230 nan 0.000 0.421 185 S N 1.172 116.368 115.700 -0.840 0.000 2.576 185 S HA 0.515 4.985 4.470 0.000 0.000 0.276 185 S C 0.813 175.133 174.600 -0.467 0.000 1.339 185 S CA 0.234 57.773 58.200 -1.102 0.000 1.039 185 S CB 0.890 63.544 63.200 -0.910 0.000 0.902 185 S HN 0.841 nan 8.310 nan 0.000 0.516 186 G N 2.025 110.622 108.800 -0.340 0.000 3.735 186 G HA2 0.251 4.211 3.960 0.000 0.000 0.283 186 G HA3 0.251 4.211 3.960 0.000 0.000 0.283 186 G C -0.679 174.147 174.900 -0.124 0.000 1.007 186 G CA -0.309 44.695 45.100 -0.159 0.000 0.821 186 G HN 0.680 nan 8.290 nan 0.000 0.505 187 D N -0.172 120.112 120.400 -0.193 0.000 2.358 187 D HA 0.222 4.862 4.640 0.000 0.000 0.253 187 D C 0.688 176.860 176.300 -0.212 0.000 1.288 187 D CA -0.521 53.366 54.000 -0.188 0.000 0.950 187 D CB 1.080 41.784 40.800 -0.161 0.000 1.197 187 D HN -0.140 nan 8.370 nan 0.000 0.550 188 D N 2.528 122.812 120.400 -0.194 0.000 2.126 188 D HA -0.245 4.395 4.640 0.000 0.000 0.190 188 D C 1.791 177.763 176.300 -0.546 0.000 1.001 188 D CA 1.601 55.425 54.000 -0.294 0.000 0.841 188 D CB 0.088 40.857 40.800 -0.051 0.000 0.949 188 D HN 0.575 nan 8.370 nan 0.000 0.446 189 A N 0.571 123.195 122.820 -0.327 0.000 2.032 189 A HA -0.160 4.160 4.320 0.000 0.000 0.221 189 A C 2.088 179.585 177.584 -0.146 0.000 1.165 189 A CA 2.212 54.130 52.037 -0.198 0.000 0.645 189 A CB -0.199 18.765 19.000 -0.062 0.000 0.807 189 A HN 0.335 nan 8.150 nan 0.000 0.453 190 S N -2.233 113.383 115.700 -0.140 0.000 2.629 190 S HA 0.570 5.040 4.470 0.000 0.000 0.236 190 S C 1.504 176.091 174.600 -0.022 0.000 1.010 190 S CA 0.603 58.770 58.200 -0.054 0.000 0.981 190 S CB 0.166 63.356 63.200 -0.017 0.000 0.919 190 S HN 0.721 nan 8.310 nan 0.000 0.514 191 A N 2.128 124.887 122.820 -0.102 0.000 1.908 191 A HA 0.036 4.356 4.320 0.000 0.000 0.218 191 A C 2.063 179.687 177.584 0.067 0.000 1.181 191 A CA 1.590 53.593 52.037 -0.057 0.000 0.627 191 A CB -0.763 18.157 19.000 -0.134 0.000 0.818 191 A HN 0.535 nan 8.150 nan 0.000 0.445 192 L N 0.012 121.264 121.223 0.049 0.000 2.056 192 L HA -0.132 4.208 4.340 0.000 0.000 0.207 192 L C 1.610 178.520 176.870 0.067 0.000 1.078 192 L CA 2.360 57.259 54.840 0.099 0.000 0.749 192 L CB -0.690 41.438 42.059 0.114 0.000 0.901 192 L HN 0.325 nan 8.230 nan 0.000 0.433 193 D N -0.944 119.480 120.400 0.040 0.000 2.097 193 D HA -0.249 4.391 4.640 0.000 0.000 0.195 193 D C 2.041 178.346 176.300 0.009 0.000 0.989 193 D CA 1.489 55.483 54.000 -0.011 0.000 0.827 193 D CB -0.369 40.433 40.800 0.002 0.000 0.966 193 D HN 0.383 nan 8.370 nan 0.000 0.456 194 F N 0.987 120.894 119.950 -0.072 0.000 2.095 194 F HA -0.191 4.336 4.527 0.000 0.000 0.298 194 F C 2.384 178.141 175.800 -0.073 0.000 1.104 194 F CA 1.410 59.372 58.000 -0.064 0.000 1.232 194 F CB -0.188 38.785 39.000 -0.045 0.000 0.987 194 F HN -0.135 nan 8.300 nan 0.000 0.475 195 M N -0.452 119.283 119.600 0.224 0.000 2.175 195 M HA -0.226 4.254 4.480 0.000 0.000 0.264 195 M C 2.326 178.623 176.300 -0.005 0.000 1.063 195 M CA 1.752 57.136 55.300 0.139 0.000 1.119 195 M CB -0.557 32.174 32.600 0.219 0.000 1.377 195 M HN 0.279 nan 8.290 nan 0.000 0.415 196 Q N 0.842 120.539 119.800 -0.173 0.000 2.226 196 Q HA -0.126 4.214 4.340 0.000 0.000 0.204 196 Q C 1.628 177.389 176.000 -0.399 0.000 0.975 196 Q CA 1.130 56.555 55.803 -0.631 0.000 0.866 196 Q CB 0.003 28.236 28.738 -0.840 0.000 0.915 196 Q HN 0.523 nan 8.270 nan 0.000 0.440 197 L N -1.554 119.500 121.223 -0.282 0.000 2.554 197 L HA 0.182 4.522 4.340 0.000 0.000 0.226 197 L C 1.195 177.915 176.870 -0.250 0.000 1.137 197 L CA 0.628 55.315 54.840 -0.255 0.000 0.863 197 L CB 0.401 42.302 42.059 -0.263 0.000 0.985 197 L HN 0.523 nan 8.230 nan 0.000 0.451 198 G N -1.188 107.459 108.800 -0.255 0.000 2.425 198 G HA2 -0.149 3.811 3.960 0.000 0.000 0.177 198 G HA3 -0.149 3.811 3.960 0.000 0.000 0.177 198 G C 0.562 175.218 174.900 -0.408 0.000 0.999 198 G CA -0.410 44.537 45.100 -0.255 0.000 0.723 198 G HN 0.391 nan 8.290 nan 0.000 0.491 199 G N -0.733 107.811 108.800 -0.427 0.000 2.636 199 G HA2 0.451 4.411 3.960 0.000 0.000 0.246 199 G HA3 0.451 4.411 3.960 0.000 0.000 0.246 199 G C 0.347 175.069 174.900 -0.298 0.000 1.216 199 G CA 0.271 45.210 45.100 -0.268 0.000 0.854 199 G HN 0.413 nan 8.290 nan 0.000 0.572 200 H N -0.772 118.436 119.070 0.230 0.000 2.740 200 H HA 0.408 4.964 4.556 0.000 0.000 0.265 200 H C 1.255 176.662 175.328 0.131 0.000 0.978 200 H CA 0.598 56.734 56.048 0.147 0.000 1.198 200 H CB 1.010 30.836 29.762 0.107 0.000 1.467 200 H HN 0.832 nan 8.280 nan 0.000 0.511 201 G N -0.568 108.357 108.800 0.209 0.000 2.356 201 G HA2 0.355 4.315 3.960 0.000 0.000 0.281 201 G HA3 0.355 4.315 3.960 0.000 0.000 0.281 201 G C -1.877 173.043 174.900 0.033 0.000 1.246 201 G CA 0.020 45.191 45.100 0.119 0.000 0.889 201 G HN 0.151 nan 8.290 nan 0.000 0.486 202 V N 0.047 119.952 119.914 -0.015 0.000 2.891 202 V HA 0.629 4.749 4.120 0.000 0.000 0.304 202 V C -1.195 174.855 176.094 -0.073 0.000 1.171 202 V CA -0.842 61.402 62.300 -0.094 0.000 0.943 202 V CB 1.705 33.478 31.823 -0.083 0.000 1.037 202 V HN 0.749 nan 8.190 nan 0.000 0.427 203 I N 5.566 126.068 120.570 -0.114 0.000 2.282 203 I HA 0.338 4.508 4.170 0.000 0.000 0.290 203 I C 0.461 176.533 176.117 -0.075 0.000 1.090 203 I CA 0.161 61.399 61.300 -0.103 0.000 1.231 203 I CB 1.331 39.235 38.000 -0.160 0.000 1.434 203 I HN 0.624 nan 8.210 nan 0.000 0.487 204 S N 4.147 119.829 115.700 -0.029 0.000 2.554 204 S HA 0.361 4.831 4.470 0.000 0.000 0.278 204 S C 0.866 175.503 174.600 0.062 0.000 1.242 204 S CA -0.593 57.623 58.200 0.028 0.000 1.051 204 S CB 1.727 64.960 63.200 0.055 0.000 0.986 204 S HN 0.389 nan 8.310 nan 0.000 0.502 205 V N 4.229 124.220 119.914 0.128 0.000 2.575 205 V HA -0.020 4.100 4.120 0.000 0.000 0.242 205 V C 2.374 178.545 176.094 0.128 0.000 1.045 205 V CA 1.586 63.962 62.300 0.126 0.000 1.065 205 V CB -0.802 31.137 31.823 0.193 0.000 0.717 205 V HN 0.934 nan 8.190 nan 0.000 0.467 206 T N 1.099 115.770 114.554 0.195 0.000 2.803 206 T HA -0.168 4.182 4.350 0.000 0.000 0.269 206 T C 1.975 176.776 174.700 0.168 0.000 1.052 206 T CA 1.521 63.738 62.100 0.195 0.000 1.136 206 T CB -0.391 68.663 68.868 0.311 0.000 0.864 206 T HN 0.519 nan 8.240 nan 0.000 0.467 207 A N 1.640 124.563 122.820 0.171 0.000 2.131 207 A HA -0.133 4.187 4.320 0.000 0.000 0.220 207 A C 2.066 179.843 177.584 0.321 0.000 1.158 207 A CA 1.520 53.677 52.037 0.199 0.000 0.665 207 A CB -0.802 18.287 19.000 0.147 0.000 0.795 207 A HN 0.543 nan 8.150 nan 0.000 0.460 208 N N -0.498 118.351 118.700 0.249 0.000 2.166 208 N HA -0.107 4.633 4.740 0.000 0.000 0.186 208 N C 1.378 177.035 175.510 0.245 0.000 1.019 208 N CA 1.974 55.195 53.050 0.285 0.000 0.856 208 N CB -0.022 38.543 38.487 0.129 0.000 0.993 208 N HN 0.514 nan 8.380 nan 0.000 0.426 209 V N -4.895 115.117 119.914 0.164 0.000 3.604 209 V HA 0.578 4.698 4.120 0.000 0.000 0.277 209 V C 0.570 176.758 176.094 0.157 0.000 1.399 209 V CA 0.255 62.607 62.300 0.087 0.000 1.034 209 V CB 0.386 32.214 31.823 0.008 0.000 0.824 209 V HN 0.099 nan 8.190 nan 0.000 0.439 210 A N 0.144 123.071 122.820 0.178 0.000 3.129 210 A HA 0.873 5.193 4.320 0.000 0.000 0.282 210 A C 1.468 179.126 177.584 0.123 0.000 0.948 210 A CA 0.432 52.551 52.037 0.137 0.000 1.027 210 A CB 0.277 19.328 19.000 0.086 0.000 1.123 210 A HN 0.697 nan 8.150 nan 0.000 0.485 211 A N 0.684 123.578 122.820 0.123 0.000 1.908 211 A HA -0.184 4.136 4.320 0.000 0.000 0.218 211 A C 2.113 179.664 177.584 -0.055 0.000 1.181 211 A CA 1.887 53.919 52.037 -0.008 0.000 0.627 211 A CB -0.356 18.433 19.000 -0.351 0.000 0.818 211 A HN 0.642 nan 8.150 nan 0.000 0.445 212 R N -0.643 119.806 120.500 -0.085 0.000 2.075 212 R HA -0.131 4.209 4.340 0.000 0.000 0.232 212 R C 1.532 177.828 176.300 -0.007 0.000 1.126 212 R CA 1.650 57.713 56.100 -0.061 0.000 0.963 212 R CB -0.281 29.980 30.300 -0.066 0.000 0.858 212 R HN 0.438 nan 8.270 nan 0.000 0.435 213 D N 0.039 120.451 120.400 0.020 0.000 2.117 213 D HA -0.160 4.480 4.640 0.000 0.000 0.197 213 D C 1.902 178.235 176.300 0.055 0.000 0.987 213 D CA 1.095 55.117 54.000 0.037 0.000 0.829 213 D CB -0.001 40.826 40.800 0.044 0.000 0.961 213 D HN 0.220 nan 8.370 nan 0.000 0.460 214 M N 0.578 120.219 119.600 0.068 0.000 2.117 214 M HA -0.080 4.400 4.480 0.000 0.000 0.262 214 M C 2.301 178.639 176.300 0.063 0.000 1.065 214 M CA 0.742 56.095 55.300 0.088 0.000 1.114 214 M CB -1.045 31.619 32.600 0.107 0.000 1.361 214 M HN -0.057 nan 8.290 nan 0.000 0.408 215 A N -0.460 122.382 122.820 0.037 0.000 1.902 215 A HA -0.227 4.093 4.320 0.000 0.000 0.217 215 A C 2.105 179.703 177.584 0.024 0.000 1.181 215 A CA 1.989 54.039 52.037 0.022 0.000 0.623 215 A CB -0.711 18.286 19.000 -0.004 0.000 0.818 215 A HN 0.499 nan 8.150 nan 0.000 0.443 216 Q N -0.475 119.339 119.800 0.023 0.000 2.046 216 Q HA -0.150 4.190 4.340 0.000 0.000 0.200 216 Q C 2.071 178.096 176.000 0.042 0.000 0.975 216 Q CA 2.184 58.002 55.803 0.025 0.000 0.836 216 Q CB -0.416 28.333 28.738 0.019 0.000 0.896 216 Q HN 0.654 nan 8.270 nan 0.000 0.428 217 M N -0.785 118.850 119.600 0.058 0.000 2.082 217 M HA -0.240 4.240 4.480 0.000 0.000 0.258 217 M C 1.923 178.271 176.300 0.080 0.000 1.069 217 M CA 2.045 57.393 55.300 0.079 0.000 1.102 217 M CB -0.333 32.331 32.600 0.105 0.000 1.336 217 M HN 0.450 nan 8.290 nan 0.000 0.404 218 C N 0.352 119.696 119.300 0.073 0.000 2.425 218 C HA -0.132 4.328 4.460 0.000 0.000 0.277 218 C C 2.692 177.711 174.990 0.049 0.000 1.280 218 C CA 1.375 60.436 59.018 0.072 0.000 1.744 218 C CB -1.096 26.682 27.740 0.065 0.000 1.989 218 C HN 0.632 nan 8.230 nan 0.000 0.491 219 K N 0.747 121.168 120.400 0.035 0.000 2.057 219 K HA -0.084 4.236 4.320 0.000 0.000 0.206 219 K C 1.902 178.506 176.600 0.008 0.000 1.050 219 K CA 1.293 57.593 56.287 0.021 0.000 0.935 219 K CB -0.258 32.254 32.500 0.020 0.000 0.715 219 K HN 0.427 nan 8.250 nan 0.000 0.439 220 L N 0.586 121.823 121.223 0.023 0.000 2.046 220 L HA -0.163 4.177 4.340 0.000 0.000 0.208 220 L C 2.675 179.455 176.870 -0.149 0.000 1.077 220 L CA 1.301 56.154 54.840 0.022 0.000 0.747 220 L CB -0.588 41.503 42.059 0.054 0.000 0.896 220 L HN 0.336 nan 8.230 nan 0.000 0.432 221 A N -0.023 122.741 122.820 -0.092 0.000 1.902 221 A HA -0.178 4.142 4.320 0.000 0.000 0.217 221 A C 2.515 179.991 177.584 -0.180 0.000 1.181 221 A CA 1.730 53.694 52.037 -0.122 0.000 0.623 221 A CB -0.749 18.370 19.000 0.198 0.000 0.818 221 A HN 0.405 nan 8.150 nan 0.000 0.443 222 A N -0.200 122.581 122.820 -0.065 0.000 1.972 222 A HA -0.155 4.165 4.320 0.000 0.000 0.219 222 A C 1.779 179.275 177.584 -0.148 0.000 1.169 222 A CA 1.580 53.592 52.037 -0.042 0.000 0.635 222 A CB -0.448 18.556 19.000 0.007 0.000 0.810 222 A HN 0.654 nan 8.150 nan 0.000 0.446 223 E N -1.636 118.410 120.200 -0.258 0.000 2.489 223 E HA 0.268 4.618 4.350 0.000 0.000 0.193 223 E C 1.082 177.239 176.600 -0.740 0.000 1.057 223 E CA 0.254 56.414 56.400 -0.399 0.000 0.866 223 E CB -0.054 29.455 29.700 -0.318 0.000 0.916 223 E HN 0.737 nan 8.360 nan 0.000 0.500 224 G N 1.884 110.196 108.800 -0.813 0.000 2.157 224 G HA2 -0.226 3.734 3.960 0.000 0.000 0.248 224 G HA3 -0.226 3.734 3.960 0.000 0.000 0.248 224 G C 0.018 174.307 174.900 -1.018 0.000 0.979 224 G CA -0.179 44.336 45.100 -0.974 0.000 0.650 224 G HN 0.363 nan 8.290 nan 0.000 0.529 225 H N 0.389 119.097 119.070 -0.604 0.000 2.680 225 H HA 0.419 4.975 4.556 0.000 0.000 0.224 225 H C 1.248 176.398 175.328 -0.296 0.000 1.866 225 H CA -0.975 54.877 56.048 -0.326 0.000 1.302 225 H CB -0.609 29.047 29.762 -0.177 0.000 1.709 225 H HN 0.293 nan 8.280 nan 0.000 0.537 226 F N 0.975 120.975 119.950 0.084 0.000 2.216 226 F HA -0.135 4.392 4.527 0.000 0.000 0.300 226 F C 2.482 178.321 175.800 0.066 0.000 1.085 226 F CA 0.924 58.960 58.000 0.061 0.000 1.326 226 F CB -0.450 38.570 39.000 0.032 0.000 1.027 226 F HN 0.457 nan 8.300 nan 0.000 0.497 227 A N 0.603 123.548 122.820 0.209 0.000 1.877 227 A HA -0.163 4.157 4.320 0.000 0.000 0.216 227 A C 2.216 179.864 177.584 0.105 0.000 1.186 227 A CA 1.771 53.892 52.037 0.139 0.000 0.620 227 A CB -0.637 18.425 19.000 0.104 0.000 0.822 227 A HN 0.392 nan 8.150 nan 0.000 0.443 228 E N 0.491 120.743 120.200 0.085 0.000 2.274 228 E HA -0.006 4.344 4.350 0.000 0.000 0.194 228 E C 1.918 178.563 176.600 0.075 0.000 0.996 228 E CA 1.070 57.505 56.400 0.058 0.000 0.840 228 E CB -0.725 28.985 29.700 0.018 0.000 0.772 228 E HN 0.535 nan 8.360 nan 0.000 0.491 229 A N 2.119 125.001 122.820 0.104 0.000 1.929 229 A HA -0.069 4.251 4.320 0.000 0.000 0.216 229 A C 2.255 179.919 177.584 0.133 0.000 1.176 229 A CA 0.721 52.830 52.037 0.120 0.000 0.628 229 A CB -0.228 18.865 19.000 0.156 0.000 0.816 229 A HN -0.014 nan 8.150 nan 0.000 0.444 230 R N -0.207 120.378 120.500 0.142 0.000 2.105 230 R HA -0.098 4.242 4.340 0.000 0.000 0.239 230 R C 2.073 178.434 176.300 0.102 0.000 1.135 230 R CA 1.383 57.557 56.100 0.125 0.000 0.967 230 R CB -1.087 29.282 30.300 0.114 0.000 0.861 230 R HN 0.430 nan 8.270 nan 0.000 0.442 231 V N 1.718 121.684 119.914 0.086 0.000 2.255 231 V HA -0.263 3.857 4.120 0.000 0.000 0.247 231 V C 2.433 178.570 176.094 0.073 0.000 1.051 231 V CA 1.895 64.236 62.300 0.069 0.000 1.018 231 V CB -0.426 31.428 31.823 0.051 0.000 0.641 231 V HN 0.212 nan 8.190 nan 0.000 0.445 232 I N 0.176 120.791 120.570 0.075 0.000 2.179 232 I HA -0.270 3.900 4.170 0.000 0.000 0.242 232 I C 2.470 178.644 176.117 0.096 0.000 1.088 232 I CA 1.948 63.293 61.300 0.075 0.000 1.357 232 I CB -0.683 37.362 38.000 0.075 0.000 1.051 232 I HN 0.430 nan 8.210 nan 0.000 0.409 233 N N 0.838 119.614 118.700 0.126 0.000 2.205 233 N HA -0.245 4.495 4.740 0.000 0.000 0.186 233 N C 1.884 177.477 175.510 0.138 0.000 1.015 233 N CA 1.357 54.510 53.050 0.173 0.000 0.862 233 N CB 0.084 38.683 38.487 0.187 0.000 0.986 233 N HN 0.511 nan 8.380 nan 0.000 0.429 234 Q N 0.070 119.940 119.800 0.115 0.000 2.119 234 Q HA -0.026 4.315 4.340 0.000 0.000 0.201 234 Q C 2.150 178.238 176.000 0.147 0.000 0.972 234 Q CA 0.865 56.737 55.803 0.115 0.000 0.847 234 Q CB 0.021 28.824 28.738 0.107 0.000 0.903 234 Q HN 0.293 nan 8.270 nan 0.000 0.433 235 R N -0.003 120.579 120.500 0.137 0.000 2.081 235 R HA -0.111 4.229 4.340 0.000 0.000 0.235 235 R C 1.793 178.186 176.300 0.154 0.000 1.131 235 R CA 0.921 57.130 56.100 0.181 0.000 0.960 235 R CB -0.070 30.277 30.300 0.080 0.000 0.856 235 R HN 0.177 nan 8.270 nan 0.000 0.436 236 L N -0.086 121.138 121.223 0.001 0.000 2.341 236 L HA -0.029 4.311 4.340 0.000 0.000 0.214 236 L C 2.116 178.729 176.870 -0.427 0.000 1.115 236 L CA 0.998 55.708 54.840 -0.218 0.000 0.820 236 L CB -0.490 41.400 42.059 -0.281 0.000 0.944 236 L HN 0.104 nan 8.230 nan 0.000 0.452 237 M N 0.534 120.031 119.600 -0.172 0.000 2.089 237 M HA -0.166 4.314 4.480 0.000 0.000 0.257 237 M C -0.623 175.641 176.300 -0.060 0.000 1.071 237 M CA 2.265 57.547 55.300 -0.030 0.000 1.096 237 M CB -1.438 31.199 32.600 0.062 0.000 1.330 237 M HN 0.002 nan 8.290 nan 0.000 0.403 238 P HA -0.134 nan 4.420 nan 0.000 0.216 238 P C 1.637 178.913 177.300 -0.040 0.000 1.150 238 P CA 0.984 64.001 63.100 -0.139 0.000 0.837 238 P CB -0.115 31.398 31.700 -0.313 0.000 0.786 239 L N -1.225 119.959 121.223 -0.065 0.000 2.056 239 L HA -0.147 4.193 4.340 0.000 0.000 0.207 239 L C 2.289 179.221 176.870 0.103 0.000 1.078 239 L CA 1.942 56.778 54.840 -0.008 0.000 0.749 239 L CB -1.534 40.492 42.059 -0.055 0.000 0.901 239 L HN 0.086 nan 8.230 nan 0.000 0.433 240 H N -0.608 118.537 119.070 0.126 0.000 2.387 240 H HA -0.120 4.436 4.556 0.000 0.000 0.299 240 H C 2.018 177.499 175.328 0.254 0.000 1.099 240 H CA 1.822 57.980 56.048 0.182 0.000 1.315 240 H CB -0.365 29.458 29.762 0.102 0.000 1.380 240 H HN 0.513 nan 8.280 nan 0.000 0.513 241 N N -0.083 118.790 118.700 0.287 0.000 2.278 241 N HA -0.068 4.672 4.740 0.000 0.000 0.181 241 N C 1.738 177.398 175.510 0.251 0.000 1.023 241 N CA 0.250 53.440 53.050 0.232 0.000 0.862 241 N CB 0.310 38.867 38.487 0.117 0.000 1.003 241 N HN 0.001 nan 8.380 nan 0.000 0.431 242 K N 0.732 121.223 120.400 0.152 0.000 2.283 242 K HA 0.014 4.334 4.320 0.000 0.000 0.202 242 K C 1.135 177.771 176.600 0.060 0.000 1.048 242 K CA 0.410 56.753 56.287 0.093 0.000 0.948 242 K CB -0.313 32.215 32.500 0.046 0.000 0.742 242 K HN 0.138 nan 8.250 nan 0.000 0.458 243 L N -0.106 121.143 121.223 0.044 0.000 2.633 243 L HA -0.006 4.334 4.340 0.000 0.000 0.235 243 L C 0.538 177.038 176.870 -0.617 0.000 1.163 243 L CA 1.153 55.848 54.840 -0.242 0.000 0.859 243 L CB -0.617 41.271 42.059 -0.286 0.000 0.973 243 L HN 0.002 nan 8.230 nan 0.000 0.451 244 F N -3.477 116.500 119.950 0.044 0.000 2.791 244 F HA 0.215 4.742 4.527 0.000 0.000 0.316 244 F C 1.486 177.298 175.800 0.020 0.000 1.134 244 F CA -0.110 57.910 58.000 0.033 0.000 1.222 244 F CB -0.248 38.773 39.000 0.035 0.000 1.034 244 F HN -0.246 nan 8.300 nan 0.000 0.516 245 V N -0.018 119.954 119.914 0.098 0.000 2.515 245 V HA -0.076 4.044 4.120 0.000 0.000 0.250 245 V C 0.798 176.914 176.094 0.036 0.000 1.058 245 V CA 1.919 64.254 62.300 0.059 0.000 1.064 245 V CB -0.005 31.828 31.823 0.017 0.000 0.675 245 V HN 0.266 nan 8.190 nan 0.000 0.461 246 E N -0.465 119.743 120.200 0.014 0.000 2.312 246 E HA 0.389 4.739 4.350 0.000 0.000 0.267 246 E C -2.692 173.915 176.600 0.012 0.000 0.894 246 E CA -2.543 53.858 56.400 0.003 0.000 0.773 246 E CB 1.831 31.515 29.700 -0.028 0.000 1.241 246 E HN 0.072 nan 8.360 nan 0.000 0.432 247 P HA -0.196 nan 4.420 nan 0.000 0.255 247 P C -0.651 176.653 177.300 0.007 0.000 1.151 247 P CA 0.617 63.740 63.100 0.038 0.000 0.767 247 P CB 0.157 31.871 31.700 0.024 0.000 0.736 248 N N 5.457 124.169 118.700 0.020 0.000 2.492 248 N HA 0.024 4.764 4.740 0.000 0.000 0.260 248 N C -1.508 173.999 175.510 -0.006 0.000 1.215 248 N CA -1.148 51.867 53.050 -0.059 0.000 0.923 248 N CB 0.614 39.080 38.487 -0.036 0.000 1.092 248 N HN 0.245 nan 8.380 nan 0.000 0.448 249 P HA 0.157 nan 4.420 nan 0.000 0.249 249 P C 1.134 178.412 177.300 -0.036 0.000 1.544 249 P CA 0.012 63.081 63.100 -0.051 0.000 0.932 249 P CB 0.027 31.711 31.700 -0.026 0.000 1.524 250 I N 1.125 121.677 120.570 -0.029 0.000 2.099 250 I HA -0.164 4.006 4.170 0.000 0.000 0.239 250 I C -0.519 175.613 176.117 0.026 0.000 1.066 250 I CA 1.700 63.000 61.300 0.000 0.000 1.324 250 I CB -1.939 36.056 38.000 -0.008 0.000 1.037 250 I HN 0.069 nan 8.210 nan 0.000 0.401 251 P HA -0.144 nan 4.420 nan 0.000 0.216 251 P C 2.004 179.348 177.300 0.072 0.000 1.153 251 P CA 1.107 64.223 63.100 0.025 0.000 0.848 251 P CB 0.059 31.719 31.700 -0.067 0.000 0.787 252 V N -0.130 119.765 119.914 -0.033 0.000 2.515 252 V HA -0.218 3.902 4.120 0.000 0.000 0.250 252 V C 2.126 178.221 176.094 0.001 0.000 1.058 252 V CA 1.851 64.136 62.300 -0.024 0.000 1.064 252 V CB -0.768 31.011 31.823 -0.074 0.000 0.675 252 V HN 0.048 nan 8.190 nan 0.000 0.461 253 K N -1.503 118.908 120.400 0.018 0.000 2.097 253 K HA -0.215 4.105 4.320 0.000 0.000 0.205 253 K C 1.850 178.457 176.600 0.012 0.000 1.050 253 K CA 1.855 58.147 56.287 0.008 0.000 0.938 253 K CB -0.309 32.204 32.500 0.022 0.000 0.718 253 K HN 0.691 nan 8.250 nan 0.000 0.442 254 W N 1.529 122.798 121.300 -0.051 0.000 2.355 254 W HA -0.203 4.457 4.660 0.000 0.000 0.309 254 W C 2.053 178.543 176.519 -0.048 0.000 1.206 254 W CA 2.115 59.434 57.345 -0.045 0.000 1.284 254 W CB -0.401 29.033 29.460 -0.042 0.000 1.145 254 W HN 0.064 nan 8.180 nan 0.000 0.502 255 A N -0.404 122.375 122.820 -0.068 0.000 1.940 255 A HA -0.263 4.057 4.320 0.000 0.000 0.219 255 A C 1.992 179.382 177.584 -0.323 0.000 1.176 255 A CA 2.020 53.919 52.037 -0.229 0.000 0.631 255 A CB -1.509 17.488 19.000 -0.005 0.000 0.814 255 A HN 0.429 nan 8.150 nan 0.000 0.446 256 C N -0.775 118.386 119.300 -0.232 0.000 2.440 256 C HA -0.038 4.422 4.460 0.000 0.000 0.278 256 C C 2.715 177.537 174.990 -0.281 0.000 1.295 256 C CA 1.229 60.110 59.018 -0.229 0.000 1.738 256 C CB -0.788 26.861 27.740 -0.151 0.000 1.987 256 C HN 0.692 nan 8.230 nan 0.000 0.492 257 K N 1.156 121.360 120.400 -0.326 0.000 2.057 257 K HA -0.190 4.130 4.320 0.000 0.000 0.206 257 K C 1.954 178.301 176.600 -0.421 0.000 1.050 257 K CA 1.811 57.901 56.287 -0.328 0.000 0.935 257 K CB -0.289 32.023 32.500 -0.314 0.000 0.715 257 K HN 0.358 nan 8.250 nan 0.000 0.439 258 E N 0.750 120.539 120.200 -0.685 0.000 2.085 258 E HA -0.160 4.190 4.350 0.000 0.000 0.194 258 E C 1.734 178.113 176.600 -0.368 0.000 0.994 258 E CA 1.045 57.048 56.400 -0.663 0.000 0.801 258 E CB -0.128 28.917 29.700 -1.092 0.000 0.743 258 E HN 0.195 nan 8.360 nan 0.000 0.453 259 L N -0.786 120.242 121.223 -0.325 0.000 2.478 259 L HA 0.208 4.548 4.340 0.000 0.000 0.223 259 L C 1.653 178.399 176.870 -0.206 0.000 1.140 259 L CA 1.360 56.059 54.840 -0.234 0.000 0.842 259 L CB -0.415 41.498 42.059 -0.244 0.000 0.953 259 L HN 0.391 nan 8.230 nan 0.000 0.452 260 G N -1.406 107.267 108.800 -0.212 0.000 2.136 260 G HA2 -0.294 3.666 3.960 0.000 0.000 0.242 260 G HA3 -0.294 3.666 3.960 0.000 0.000 0.242 260 G C 1.076 175.873 174.900 -0.171 0.000 0.989 260 G CA 0.540 45.540 45.100 -0.166 0.000 0.682 260 G HN 0.367 nan 8.290 nan 0.000 0.522 261 L N -0.467 120.626 121.223 -0.217 0.000 2.179 261 L HA 0.270 4.610 4.340 0.000 0.000 0.208 261 L C 1.604 178.379 176.870 -0.157 0.000 1.096 261 L CA 1.463 56.165 54.840 -0.230 0.000 0.779 261 L CB -0.092 41.761 42.059 -0.343 0.000 0.922 261 L HN 0.505 nan 8.230 nan 0.000 0.443 262 V N -5.132 114.695 119.914 -0.145 0.000 2.914 262 V HA 0.696 4.816 4.120 0.000 0.000 0.314 262 V C 0.740 176.776 176.094 -0.096 0.000 1.084 262 V CA -0.410 61.830 62.300 -0.101 0.000 0.963 262 V CB 1.527 33.299 31.823 -0.085 0.000 1.025 262 V HN -0.013 nan 8.190 nan 0.000 0.432 263 A N 2.712 125.492 122.820 -0.066 0.000 1.855 263 A HA 0.225 4.545 4.320 0.000 0.000 0.215 263 A C 1.390 178.942 177.584 -0.054 0.000 1.191 263 A CA 1.981 53.985 52.037 -0.056 0.000 0.613 263 A CB -0.594 18.384 19.000 -0.037 0.000 0.829 263 A HN 1.716 nan 8.150 nan 0.000 0.442 264 T N -2.769 111.760 114.554 -0.043 0.000 2.916 264 T HA 0.475 4.825 4.350 0.000 0.000 0.292 264 T C -0.551 174.133 174.700 -0.026 0.000 1.055 264 T CA 0.044 62.127 62.100 -0.028 0.000 1.009 264 T CB 1.915 70.778 68.868 -0.008 0.000 1.118 264 T HN 0.219 nan 8.240 nan 0.000 0.497 265 D N 0.205 120.605 120.400 0.000 0.000 2.388 265 D HA 0.149 4.789 4.640 0.000 0.000 0.221 265 D C 0.253 176.579 176.300 0.043 0.000 1.133 265 D CA -0.292 53.724 54.000 0.027 0.000 0.831 265 D CB -0.540 40.313 40.800 0.088 0.000 0.962 265 D HN 0.510 nan 8.370 nan 0.000 0.502 266 T N 0.953 115.522 114.554 0.026 0.000 2.946 266 T HA 0.316 4.666 4.350 0.000 0.000 0.311 266 T C 0.289 174.999 174.700 0.017 0.000 1.063 266 T CA 0.187 62.301 62.100 0.023 0.000 1.139 266 T CB 0.660 69.537 68.868 0.014 0.000 0.994 266 T HN 0.076 nan 8.240 nan 0.000 0.547 267 L N 1.864 123.097 121.223 0.016 0.000 2.277 267 L HA 0.637 4.977 4.340 0.000 0.000 0.254 267 L C 0.292 177.167 176.870 0.008 0.000 1.044 267 L CA -1.164 53.682 54.840 0.011 0.000 0.842 267 L CB 1.486 43.551 42.059 0.011 0.000 1.422 267 L HN 0.405 nan 8.230 nan 0.000 0.422 268 R N 0.220 120.722 120.500 0.005 0.000 2.604 268 R HA 0.625 4.965 4.340 0.000 0.000 0.287 268 R C -1.068 175.233 176.300 0.001 0.000 0.970 268 R CA -0.945 55.157 56.100 0.004 0.000 0.946 268 R CB 1.376 31.678 30.300 0.005 0.000 1.127 268 R HN 0.398 nan 8.270 nan 0.000 0.473 269 L N 3.819 125.042 121.223 0.000 0.000 2.483 269 L HA 0.061 4.401 4.340 0.000 0.000 0.276 269 L C -0.815 176.051 176.870 -0.006 0.000 1.213 269 L CA -0.966 53.873 54.840 -0.002 0.000 0.843 269 L CB 0.494 42.552 42.059 -0.002 0.000 1.107 269 L HN 0.497 nan 8.230 nan 0.000 0.487 270 P HA -0.030 nan 4.420 nan 0.000 0.247 270 P C -0.110 177.186 177.300 -0.006 0.000 1.225 270 P CA 0.441 63.536 63.100 -0.008 0.000 0.768 270 P CB 0.269 31.961 31.700 -0.012 0.000 1.020 271 M N 1.089 120.686 119.600 -0.004 0.000 2.185 271 M HA 0.174 4.654 4.480 0.000 0.000 0.357 271 M C 0.875 177.175 176.300 0.000 0.000 1.260 271 M CA 0.274 55.573 55.300 -0.002 0.000 1.124 271 M CB 0.811 33.411 32.600 -0.000 0.000 1.600 271 M HN -0.055 nan 8.290 nan 0.000 0.467 272 T N 1.521 116.074 114.554 -0.001 0.000 2.949 272 T HA 0.763 5.113 4.350 0.000 0.000 0.287 272 T C -2.637 172.063 174.700 -0.000 0.000 1.034 272 T CA -1.987 60.112 62.100 -0.001 0.000 1.018 272 T CB 1.195 70.060 68.868 -0.006 0.000 1.135 272 T HN 0.299 nan 8.240 nan 0.000 0.532 273 P HA 0.246 nan 4.420 nan 0.000 0.269 273 P C -0.076 177.209 177.300 -0.025 0.000 1.215 273 P CA -0.594 62.508 63.100 0.003 0.000 0.780 273 P CB 0.324 32.027 31.700 0.005 0.000 0.898 274 I N 1.420 121.965 120.570 -0.042 0.000 2.692 274 I HA 0.040 4.210 4.170 0.000 0.000 0.284 274 I C 0.788 176.813 176.117 -0.152 0.000 1.159 274 I CA 0.118 61.346 61.300 -0.120 0.000 1.423 274 I CB 0.633 38.501 38.000 -0.219 0.000 1.380 274 I HN 0.440 nan 8.210 nan 0.000 0.580 275 T N 2.220 116.685 114.554 -0.149 0.000 2.816 275 T HA 0.150 4.500 4.350 0.000 0.000 0.282 275 T C 0.829 175.413 174.700 -0.193 0.000 0.993 275 T CA -0.613 61.407 62.100 -0.133 0.000 0.994 275 T CB 1.030 69.841 68.868 -0.095 0.000 1.025 275 T HN 0.598 nan 8.240 nan 0.000 0.529 276 D N 0.392 120.701 120.400 -0.151 0.000 2.178 276 D HA -0.090 4.550 4.640 0.000 0.000 0.201 276 D C 2.106 178.305 176.300 -0.168 0.000 0.980 276 D CA 1.180 55.083 54.000 -0.163 0.000 0.842 276 D CB -0.246 40.494 40.800 -0.100 0.000 0.948 276 D HN 0.583 nan 8.370 nan 0.000 0.472 277 S N -0.047 115.575 115.700 -0.130 0.000 2.383 277 S HA -0.064 4.406 4.470 0.000 0.000 0.227 277 S C 2.056 176.570 174.600 -0.143 0.000 1.026 277 S CA 1.532 59.666 58.200 -0.110 0.000 0.981 277 S CB -0.292 62.863 63.200 -0.075 0.000 0.818 277 S HN 0.319 nan 8.310 nan 0.000 0.472 278 G N 1.120 109.814 108.800 -0.177 0.000 2.402 278 G HA2 -0.159 3.801 3.960 0.000 0.000 0.216 278 G HA3 -0.159 3.801 3.960 0.000 0.000 0.216 278 G C 1.579 176.271 174.900 -0.347 0.000 1.162 278 G CA 0.438 45.413 45.100 -0.208 0.000 0.777 278 G HN 0.467 nan 8.290 nan 0.000 0.539 279 R N 0.824 121.006 120.500 -0.530 0.000 2.094 279 R HA -0.144 4.196 4.340 0.000 0.000 0.239 279 R C 2.768 178.770 176.300 -0.496 0.000 1.137 279 R CA 1.977 57.534 56.100 -0.904 0.000 0.943 279 R CB -0.307 29.493 30.300 -0.833 0.000 0.850 279 R HN 0.730 nan 8.270 nan 0.000 0.433 280 E N -0.801 119.243 120.200 -0.259 0.000 2.110 280 E HA -0.132 4.218 4.350 0.000 0.000 0.193 280 E C 1.602 178.163 176.600 -0.066 0.000 0.988 280 E CA 1.665 57.996 56.400 -0.115 0.000 0.804 280 E CB -0.340 29.315 29.700 -0.074 0.000 0.745 280 E HN 0.121 nan 8.360 nan 0.000 0.458 281 T N 0.944 115.449 114.554 -0.082 0.000 2.708 281 T HA -0.112 4.238 4.350 0.000 0.000 0.266 281 T C 2.063 176.760 174.700 -0.004 0.000 1.037 281 T CA 1.477 63.554 62.100 -0.038 0.000 1.146 281 T CB -0.270 68.572 68.868 -0.043 0.000 0.865 281 T HN 0.040 nan 8.240 nan 0.000 0.435 282 V N 1.223 121.129 119.914 -0.013 0.000 2.343 282 V HA -0.144 3.976 4.120 0.000 0.000 0.247 282 V C 2.634 178.833 176.094 0.174 0.000 1.051 282 V CA 1.627 63.981 62.300 0.090 0.000 1.036 282 V CB -0.587 31.331 31.823 0.159 0.000 0.654 282 V HN 0.332 nan 8.190 nan 0.000 0.451 283 R N 0.008 120.630 120.500 0.204 0.000 2.083 283 R HA -0.210 4.130 4.340 0.000 0.000 0.237 283 R C 2.351 178.732 176.300 0.135 0.000 1.137 283 R CA 1.786 58.032 56.100 0.243 0.000 0.951 283 R CB -0.512 29.936 30.300 0.246 0.000 0.851 283 R HN 0.515 nan 8.270 nan 0.000 0.434 284 A N 0.435 123.309 122.820 0.090 0.000 1.940 284 A HA -0.143 4.177 4.320 0.000 0.000 0.219 284 A C 2.288 179.930 177.584 0.097 0.000 1.176 284 A CA 1.781 53.865 52.037 0.079 0.000 0.631 284 A CB -0.679 18.352 19.000 0.053 0.000 0.814 284 A HN 0.534 nan 8.150 nan 0.000 0.446 285 A N -0.475 122.393 122.820 0.080 0.000 1.969 285 A HA 0.035 4.355 4.320 0.000 0.000 0.218 285 A C 2.135 179.778 177.584 0.098 0.000 1.169 285 A CA 1.326 53.404 52.037 0.068 0.000 0.635 285 A CB -0.495 18.527 19.000 0.038 0.000 0.810 285 A HN 0.473 nan 8.150 nan 0.000 0.445 286 L N -0.466 120.815 121.223 0.098 0.000 2.093 286 L HA -0.182 4.158 4.340 0.000 0.000 0.208 286 L C 2.518 179.433 176.870 0.074 0.000 1.085 286 L CA 1.409 56.296 54.840 0.078 0.000 0.755 286 L CB -0.372 41.731 42.059 0.074 0.000 0.904 286 L HN 0.363 nan 8.230 nan 0.000 0.435 287 K N -1.125 119.326 120.400 0.085 0.000 2.057 287 K HA -0.198 4.122 4.320 0.000 0.000 0.206 287 K C 2.085 178.726 176.600 0.068 0.000 1.050 287 K CA 1.010 57.335 56.287 0.064 0.000 0.935 287 K CB -0.558 31.979 32.500 0.061 0.000 0.715 287 K HN 0.371 nan 8.250 nan 0.000 0.439 288 H N 1.234 120.313 119.070 0.015 0.000 2.387 288 H HA -0.050 4.506 4.556 0.000 0.000 0.299 288 H C 1.636 176.965 175.328 0.003 0.000 1.099 288 H CA 1.757 57.811 56.048 0.009 0.000 1.315 288 H CB 0.184 29.952 29.762 0.009 0.000 1.380 288 H HN 0.205 nan 8.280 nan 0.000 0.513 289 A N -0.284 122.628 122.820 0.154 0.000 2.206 289 A HA 0.179 4.499 4.320 0.000 0.000 0.211 289 A C 1.848 179.450 177.584 0.030 0.000 1.158 289 A CA 1.106 53.197 52.037 0.089 0.000 0.761 289 A CB -0.494 18.546 19.000 0.067 0.000 0.801 289 A HN 0.646 nan 8.150 nan 0.000 0.473 290 G N -1.276 107.533 108.800 0.014 0.000 2.160 290 G HA2 -0.235 3.725 3.960 0.000 0.000 0.244 290 G HA3 -0.235 3.725 3.960 0.000 0.000 0.244 290 G C 0.565 175.469 174.900 0.007 0.000 1.022 290 G CA 0.488 45.587 45.100 -0.002 0.000 0.741 290 G HN 0.465 nan 8.290 nan 0.000 0.508 291 L N -1.446 119.786 121.223 0.015 0.000 2.463 291 L HA 0.466 4.806 4.340 0.000 0.000 0.219 291 L C 1.657 178.522 176.870 -0.008 0.000 1.088 291 L CA 0.365 55.208 54.840 0.006 0.000 0.849 291 L CB 0.031 42.095 42.059 0.008 0.000 1.012 291 L HN 0.274 nan 8.230 nan 0.000 0.468 292 L N 0.000 121.223 121.223 -0.001 0.000 2.949 292 L HA 0.000 4.340 4.340 0.000 0.000 0.249 292 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 292 L CB 0.000 42.061 42.059 0.003 0.000 0.961 292 L HN 0.000 nan 8.230 nan 0.000 0.502