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 2e37_1_B DATA FIRST_RESID 2 DATA SEQUENCE KVGIVGSGXV GSATAYALAL LGVAREVVLV DLDRKLAQAH AEDILHATPF DATA SEQUENCE AHPVWVRAGS YGDLEGARAV VLAAGVAXXX XXXRLQLLDR NAQVFAQVVP DATA SEQUENCE RVLEAAPEAV LLVATNPVDV XTQVAYRLSG LPPGRVVGSG TILDTARFRA DATA SEQUENCE LLAEYLRVAP QSVHAYVLGE HGDSEVLVWS SAQVGGVPLL EFAEARGRAL DATA SEQUENCE SPEDRARIDE GVRRAAYRII EGKGATYYGI GAGLARLVRA ILTDEKGVYT DATA SEQUENCE VSAFTPEVEG VLEVSLSLPR ILGAGGVEGT VYPSLSPEER EALRRSAEIL DATA SEQUENCE KEAAFALGF 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 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.603 176.600 0.005 0.000 0.988 2 K CA 0.000 56.304 56.287 0.028 0.000 0.838 2 K CB 0.000 32.524 32.500 0.040 0.000 1.064 3 V N 2.543 122.453 119.914 -0.007 0.000 2.769 3 V HA 0.951 5.071 4.120 0.000 0.000 0.312 3 V C -0.508 175.566 176.094 -0.033 0.000 1.061 3 V CA 0.085 62.373 62.300 -0.019 0.000 0.931 3 V CB 1.792 33.602 31.823 -0.022 0.000 1.010 3 V HN 0.830 nan 8.190 nan 0.000 0.433 4 G N 4.978 113.758 108.800 -0.033 0.000 2.453 4 G HA2 0.753 4.713 3.960 0.000 0.000 0.323 4 G HA3 0.753 4.713 3.960 0.000 0.000 0.323 4 G C -1.332 173.542 174.900 -0.044 0.000 1.198 4 G CA -0.717 44.357 45.100 -0.043 0.000 0.959 4 G HN 0.813 nan 8.290 nan 0.000 0.482 5 I N 1.213 121.750 120.570 -0.056 0.000 2.500 5 I HA 0.234 4.404 4.170 0.000 0.000 0.286 5 I C -0.748 175.333 176.117 -0.061 0.000 1.063 5 I CA -0.887 60.382 61.300 -0.053 0.000 1.062 5 I CB 2.387 40.354 38.000 -0.055 0.000 1.223 5 I HN 0.065 nan 8.210 nan 0.000 0.435 6 V N 4.924 124.809 119.914 -0.047 0.000 2.333 6 V HA 0.795 4.915 4.120 0.000 0.000 0.274 6 V C 0.507 176.582 176.094 -0.030 0.000 1.028 6 V CA -0.417 61.855 62.300 -0.047 0.000 0.851 6 V CB 0.864 32.687 31.823 0.001 0.000 1.000 6 V HN 1.060 nan 8.190 nan 0.000 0.456 7 G N 3.155 111.934 108.800 -0.036 0.000 2.949 7 G HA2 -0.103 3.857 3.960 0.000 0.000 0.658 7 G HA3 -0.103 3.857 3.960 0.000 0.000 0.658 7 G C -0.111 174.779 174.900 -0.018 0.000 1.194 7 G CA -0.341 44.753 45.100 -0.010 0.000 1.204 7 G HN 0.578 nan 8.290 nan 0.000 0.524 8 S N 0.885 116.583 115.700 -0.004 0.000 2.849 8 S HA 0.513 4.983 4.470 0.000 0.000 0.244 8 S C 1.349 176.005 174.600 0.093 0.000 1.297 8 S CA 0.432 58.654 58.200 0.038 0.000 1.241 8 S CB -0.241 63.016 63.200 0.095 0.000 0.958 8 S HN 1.261 nan 8.310 nan 0.000 0.489 12 G N 1.178 109.944 108.800 -0.056 0.000 2.442 12 G HA2 -0.264 3.697 3.960 0.000 0.000 0.219 12 G HA3 -0.264 3.697 3.960 0.000 0.000 0.219 12 G C 1.699 176.524 174.900 -0.125 0.000 1.141 12 G CA 2.001 47.060 45.100 -0.068 0.000 0.763 12 G HN 0.780 nan 8.290 nan 0.000 0.554 13 S N 0.841 116.388 115.700 -0.255 0.000 2.414 13 S HA 0.308 4.778 4.470 0.000 0.000 0.227 13 S C 2.585 177.074 174.600 -0.185 0.000 1.022 13 S CA 1.218 59.176 58.200 -0.402 0.000 0.958 13 S CB -0.288 62.241 63.200 -1.119 0.000 0.797 13 S HN 0.542 nan 8.310 nan 0.000 0.493 14 A N 1.960 124.722 122.820 -0.097 0.000 1.902 14 A HA -0.023 4.297 4.320 0.000 0.000 0.217 14 A C 2.391 180.064 177.584 0.149 0.000 1.181 14 A CA 2.060 54.162 52.037 0.109 0.000 0.623 14 A CB -1.698 17.418 19.000 0.193 0.000 0.818 14 A HN 0.546 nan 8.150 nan 0.000 0.443 15 T N 0.352 114.946 114.554 0.067 0.000 2.720 15 T HA -0.073 4.277 4.350 0.000 0.000 0.268 15 T C 2.204 176.935 174.700 0.052 0.000 1.037 15 T CA 1.702 63.835 62.100 0.054 0.000 1.144 15 T CB -0.445 68.432 68.868 0.016 0.000 0.864 15 T HN 0.607 nan 8.240 nan 0.000 0.444 16 A N 0.390 123.229 122.820 0.032 0.000 1.933 16 A HA -0.086 4.234 4.320 0.000 0.000 0.218 16 A C 2.106 179.765 177.584 0.125 0.000 1.175 16 A CA 1.371 53.430 52.037 0.038 0.000 0.628 16 A CB -0.960 18.033 19.000 -0.011 0.000 0.814 16 A HN 0.548 nan 8.150 nan 0.000 0.444 17 Y N 0.686 120.987 120.300 0.002 0.000 2.224 17 Y HA -0.065 4.485 4.550 0.000 0.000 0.289 17 Y C 2.605 178.539 175.900 0.057 0.000 1.146 17 Y CA 0.778 58.904 58.100 0.043 0.000 1.182 17 Y CB -0.590 37.913 38.460 0.070 0.000 0.983 17 Y HN 0.311 nan 8.280 nan 0.000 0.524 18 A N -0.085 122.803 122.820 0.113 0.000 1.872 18 A HA -0.102 4.218 4.320 0.000 0.000 0.214 18 A C 2.366 179.941 177.584 -0.014 0.000 1.187 18 A CA 1.434 53.474 52.037 0.006 0.000 0.614 18 A CB -1.073 17.958 19.000 0.052 0.000 0.826 18 A HN 0.486 nan 8.150 nan 0.000 0.442 19 L N -0.732 120.498 121.223 0.012 0.000 2.042 19 L HA -0.259 4.081 4.340 0.000 0.000 0.210 19 L C 3.079 179.945 176.870 -0.007 0.000 1.076 19 L CA 1.280 56.117 54.840 -0.005 0.000 0.749 19 L CB -0.474 41.586 42.059 0.002 0.000 0.893 19 L HN 0.488 nan 8.230 nan 0.000 0.432 20 A N -0.230 122.603 122.820 0.022 0.000 1.872 20 A HA -0.108 4.212 4.320 0.000 0.000 0.214 20 A C 2.191 179.800 177.584 0.041 0.000 1.187 20 A CA 0.971 53.038 52.037 0.050 0.000 0.614 20 A CB -0.623 18.440 19.000 0.105 0.000 0.826 20 A HN 0.314 nan 8.150 nan 0.000 0.442 21 L N -0.524 120.665 121.223 -0.058 0.000 2.042 21 L HA -0.175 4.165 4.340 0.000 0.000 0.210 21 L C 2.233 179.146 176.870 0.071 0.000 1.076 21 L CA 1.143 55.946 54.840 -0.062 0.000 0.749 21 L CB -0.426 41.462 42.059 -0.284 0.000 0.893 21 L HN 0.359 nan 8.230 nan 0.000 0.432 22 L N -0.646 120.565 121.223 -0.019 0.000 2.554 22 L HA 0.126 4.466 4.340 0.000 0.000 0.226 22 L C 1.332 178.026 176.870 -0.294 0.000 1.137 22 L CA 0.412 55.211 54.840 -0.068 0.000 0.863 22 L CB -0.533 41.487 42.059 -0.064 0.000 0.985 22 L HN 0.463 nan 8.230 nan 0.000 0.451 23 G N 0.179 108.790 108.800 -0.316 0.000 2.273 23 G HA2 -0.245 3.715 3.960 0.000 0.000 0.280 23 G HA3 -0.245 3.715 3.960 0.000 0.000 0.280 23 G C 0.707 175.442 174.900 -0.274 0.000 1.047 23 G CA 0.372 45.169 45.100 -0.504 0.000 0.869 23 G HN 0.139 nan 8.290 nan 0.000 0.502 24 V N -0.539 119.287 119.914 -0.146 0.000 2.307 24 V HA 0.285 4.405 4.120 0.000 0.000 0.245 24 V C 1.987 178.047 176.094 -0.058 0.000 1.045 24 V CA 2.647 64.892 62.300 -0.091 0.000 1.024 24 V CB -0.504 31.282 31.823 -0.061 0.000 0.651 24 V HN 1.371 nan 8.190 nan 0.000 0.449 25 A N -1.323 121.477 122.820 -0.034 0.000 2.387 25 A HA 0.606 4.926 4.320 0.000 0.000 0.303 25 A C 0.970 178.567 177.584 0.021 0.000 1.145 25 A CA -0.593 51.440 52.037 -0.006 0.000 0.801 25 A CB 1.197 20.197 19.000 -0.000 0.000 1.342 25 A HN 0.069 nan 8.150 nan 0.000 0.440 26 R N -0.378 120.149 120.500 0.044 0.000 2.140 26 R HA 0.111 4.451 4.340 0.000 0.000 0.213 26 R C -0.020 176.363 176.300 0.139 0.000 1.059 26 R CA 0.890 57.039 56.100 0.082 0.000 1.000 26 R CB 0.321 30.666 30.300 0.075 0.000 0.910 26 R HN 0.800 nan 8.270 nan 0.000 0.455 27 E N 0.420 120.687 120.200 0.113 0.000 2.256 27 E HA 0.305 4.655 4.350 0.000 0.000 0.268 27 E C -1.683 174.924 176.600 0.012 0.000 0.877 27 E CA -0.458 56.016 56.400 0.123 0.000 0.757 27 E CB 2.338 32.152 29.700 0.190 0.000 1.183 27 E HN -0.228 nan 8.360 nan 0.000 0.418 28 V N 4.361 124.236 119.914 -0.064 0.000 2.483 28 V HA 0.361 4.481 4.120 0.000 0.000 0.297 28 V C -0.651 175.332 176.094 -0.184 0.000 1.027 28 V CA -0.777 61.467 62.300 -0.093 0.000 0.855 28 V CB 1.773 33.562 31.823 -0.058 0.000 0.995 28 V HN 0.492 nan 8.190 nan 0.000 0.424 29 V N 6.401 126.222 119.914 -0.155 0.000 2.384 29 V HA 0.490 4.610 4.120 0.000 0.000 0.287 29 V C -0.207 175.804 176.094 -0.139 0.000 1.020 29 V CA -0.524 61.665 62.300 -0.186 0.000 0.850 29 V CB 1.717 33.443 31.823 -0.163 0.000 0.987 29 V HN 0.639 nan 8.190 nan 0.000 0.436 30 L N 5.454 126.591 121.223 -0.144 0.000 2.275 30 L HA 0.629 4.969 4.340 0.000 0.000 0.288 30 L C -0.649 176.144 176.870 -0.129 0.000 1.046 30 L CA -0.530 54.243 54.840 -0.112 0.000 0.805 30 L CB 1.769 43.779 42.059 -0.083 0.000 1.193 30 L HN 0.394 nan 8.230 nan 0.000 0.426 31 V N 2.700 122.530 119.914 -0.140 0.000 2.487 31 V HA 0.537 4.657 4.120 0.000 0.000 0.298 31 V C -0.691 175.290 176.094 -0.188 0.000 1.028 31 V CA -0.564 61.611 62.300 -0.209 0.000 0.860 31 V CB 1.926 33.559 31.823 -0.316 0.000 0.991 31 V HN 0.710 nan 8.190 nan 0.000 0.427 32 D N 2.945 123.239 120.400 -0.177 0.000 2.803 32 D HA 0.307 4.948 4.640 0.000 0.000 0.218 32 D C 0.645 176.874 176.300 -0.118 0.000 1.245 32 D CA -0.559 53.368 54.000 -0.122 0.000 0.821 32 D CB 2.570 43.333 40.800 -0.061 0.000 1.626 32 D HN 0.329 nan 8.370 nan 0.000 0.487 33 L N 0.849 122.020 121.223 -0.086 0.000 2.187 33 L HA -0.107 4.233 4.340 0.000 0.000 0.213 33 L C 1.141 177.980 176.870 -0.051 0.000 1.100 33 L CA 1.005 55.808 54.840 -0.061 0.000 0.765 33 L CB -0.162 41.885 42.059 -0.020 0.000 0.904 33 L HN 0.344 nan 8.230 nan 0.000 0.437 34 D N 0.468 120.838 120.400 -0.049 0.000 2.517 34 D HA 0.007 4.647 4.640 0.000 0.000 0.220 34 D C 1.305 177.569 176.300 -0.059 0.000 1.158 34 D CA -0.083 53.888 54.000 -0.048 0.000 0.992 34 D CB 0.520 41.293 40.800 -0.045 0.000 1.058 34 D HN -0.003 nan 8.370 nan 0.000 0.516 35 R N 2.224 122.687 120.500 -0.060 0.000 2.113 35 R HA -0.188 4.152 4.340 0.000 0.000 0.244 35 R C 1.591 177.853 176.300 -0.063 0.000 1.142 35 R CA 1.079 57.140 56.100 -0.065 0.000 0.953 35 R CB -0.236 30.030 30.300 -0.056 0.000 0.860 35 R HN 0.224 nan 8.270 nan 0.000 0.438 36 K N 0.751 121.115 120.400 -0.060 0.000 2.147 36 K HA -0.094 4.226 4.320 0.000 0.000 0.205 36 K C 1.927 178.472 176.600 -0.092 0.000 1.049 36 K CA 0.587 56.834 56.287 -0.066 0.000 0.936 36 K CB -0.447 32.017 32.500 -0.059 0.000 0.722 36 K HN 0.030 nan 8.250 nan 0.000 0.446 37 L N -0.044 121.118 121.223 -0.101 0.000 2.044 37 L HA 0.004 4.344 4.340 0.000 0.000 0.205 37 L C 1.949 178.742 176.870 -0.128 0.000 1.075 37 L CA 2.021 56.767 54.840 -0.156 0.000 0.747 37 L CB -0.932 41.052 42.059 -0.124 0.000 0.903 37 L HN 0.143 nan 8.230 nan 0.000 0.435 38 A N -1.110 121.679 122.820 -0.051 0.000 1.940 38 A HA -0.269 4.052 4.320 0.000 0.000 0.219 38 A C 2.213 179.787 177.584 -0.016 0.000 1.176 38 A CA 1.963 53.998 52.037 -0.004 0.000 0.631 38 A CB -0.587 18.385 19.000 -0.048 0.000 0.814 38 A HN 0.671 nan 8.150 nan 0.000 0.446 39 Q N -0.853 118.916 119.800 -0.052 0.000 2.123 39 Q HA -0.004 4.336 4.340 0.000 0.000 0.199 39 Q C 2.455 178.426 176.000 -0.049 0.000 0.966 39 Q CA 1.171 56.942 55.803 -0.053 0.000 0.845 39 Q CB -0.350 28.355 28.738 -0.055 0.000 0.907 39 Q HN 0.687 nan 8.270 nan 0.000 0.439 40 A N 0.741 123.512 122.820 -0.081 0.000 1.858 40 A HA -0.248 4.072 4.320 0.000 0.000 0.216 40 A C 1.760 179.314 177.584 -0.051 0.000 1.190 40 A CA 1.618 53.595 52.037 -0.099 0.000 0.617 40 A CB -0.816 18.076 19.000 -0.179 0.000 0.827 40 A HN 0.336 nan 8.150 nan 0.000 0.443 41 H N -0.192 118.840 119.070 -0.063 0.000 2.265 41 H HA -0.125 4.431 4.556 0.000 0.000 0.295 41 H C 2.563 177.857 175.328 -0.057 0.000 1.084 41 H CA 1.649 57.657 56.048 -0.067 0.000 1.261 41 H CB -0.856 28.860 29.762 -0.076 0.000 1.360 41 H HN 0.472 nan 8.280 nan 0.000 0.487 42 A N 0.397 123.264 122.820 0.079 0.000 2.024 42 A HA -0.209 4.111 4.320 0.000 0.000 0.220 42 A C 2.386 179.966 177.584 -0.008 0.000 1.164 42 A CA 1.982 54.018 52.037 -0.001 0.000 0.643 42 A CB -0.371 18.591 19.000 -0.064 0.000 0.806 42 A HN 0.574 nan 8.150 nan 0.000 0.451 43 E N -0.623 119.569 120.200 -0.014 0.000 2.122 43 E HA -0.146 4.204 4.350 0.000 0.000 0.190 43 E C 1.604 178.177 176.600 -0.044 0.000 0.977 43 E CA 0.801 57.165 56.400 -0.060 0.000 0.820 43 E CB -0.095 29.558 29.700 -0.078 0.000 0.770 43 E HN 0.451 nan 8.360 nan 0.000 0.462 44 D N 0.382 120.806 120.400 0.040 0.000 2.123 44 D HA -0.151 4.489 4.640 0.000 0.000 0.196 44 D C 1.791 178.170 176.300 0.131 0.000 0.992 44 D CA 1.056 55.121 54.000 0.109 0.000 0.833 44 D CB -0.027 40.822 40.800 0.082 0.000 0.954 44 D HN 0.291 nan 8.370 nan 0.000 0.455 45 I N -0.198 120.433 120.570 0.101 0.000 2.439 45 I HA -0.168 4.002 4.170 0.000 0.000 0.251 45 I C 2.142 178.372 176.117 0.189 0.000 1.139 45 I CA 0.194 61.596 61.300 0.170 0.000 1.438 45 I CB 0.022 38.108 38.000 0.144 0.000 1.085 45 I HN 0.051 nan 8.210 nan 0.000 0.427 46 L N 0.108 121.395 121.223 0.107 0.000 2.362 46 L HA -0.191 4.149 4.340 0.000 0.000 0.219 46 L C 2.213 179.174 176.870 0.150 0.000 1.134 46 L CA 1.855 56.756 54.840 0.101 0.000 0.807 46 L CB -0.769 41.308 42.059 0.030 0.000 0.927 46 L HN 0.241 nan 8.230 nan 0.000 0.447 47 H N -1.918 117.242 119.070 0.150 0.000 2.495 47 H HA 0.027 4.583 4.556 0.000 0.000 0.287 47 H C 2.096 177.596 175.328 0.286 0.000 1.033 47 H CA 0.657 56.815 56.048 0.183 0.000 1.307 47 H CB 0.327 30.174 29.762 0.141 0.000 1.401 47 H HN 0.503 nan 8.280 nan 0.000 0.555 48 A N -0.333 122.732 122.820 0.408 0.000 1.975 48 A HA -0.090 4.230 4.320 0.000 0.000 0.215 48 A C 2.289 180.109 177.584 0.392 0.000 1.170 48 A CA 1.186 53.484 52.037 0.434 0.000 0.656 48 A CB -0.607 18.664 19.000 0.451 0.000 0.821 48 A HN 0.282 nan 8.150 nan 0.000 0.449 49 T N 1.199 115.913 114.554 0.266 0.000 2.653 49 T HA -0.150 4.200 4.350 0.000 0.000 0.267 49 T C -0.301 174.441 174.700 0.070 0.000 1.037 49 T CA 2.398 64.599 62.100 0.167 0.000 1.159 49 T CB -1.162 67.794 68.868 0.147 0.000 0.859 49 T HN 0.406 nan 8.240 nan 0.000 0.449 50 P HA 0.001 nan 4.420 nan 0.000 0.225 50 P C 0.506 177.532 177.300 -0.456 0.000 1.148 50 P CA 0.879 63.798 63.100 -0.302 0.000 0.779 50 P CB -0.162 31.243 31.700 -0.492 0.000 0.780 51 F N -2.250 117.717 119.950 0.027 0.000 2.639 51 F HA 0.496 5.023 4.527 0.000 0.000 0.300 51 F C 1.441 177.220 175.800 -0.036 0.000 1.109 51 F CA -0.184 57.817 58.000 0.000 0.000 1.335 51 F CB -0.101 38.912 39.000 0.022 0.000 1.014 51 F HN -0.069 nan 8.300 nan 0.000 0.537 52 A N -1.489 121.360 122.820 0.048 0.000 1.708 52 A HA 0.418 4.738 4.320 0.000 0.000 0.168 52 A C -0.495 176.946 177.584 -0.239 0.000 1.463 52 A CA -0.287 51.715 52.037 -0.058 0.000 2.387 52 A CB 0.766 19.810 19.000 0.073 0.000 2.618 52 A HN 0.128 nan 8.150 nan 0.000 1.169 53 H N -0.391 118.699 119.070 0.032 0.000 2.679 53 H HA 0.417 4.973 4.556 0.000 0.000 0.367 53 H C -2.670 172.679 175.328 0.036 0.000 1.162 53 H CA -1.900 54.163 56.048 0.025 0.000 1.181 53 H CB 1.536 31.309 29.762 0.020 0.000 1.693 53 H HN 0.123 nan 8.280 nan 0.000 0.538 54 P HA 0.042 nan 4.420 nan 0.000 0.259 54 P C -0.751 176.629 177.300 0.133 0.000 1.635 54 P CA 0.120 63.286 63.100 0.110 0.000 1.199 54 P CB -0.131 31.613 31.700 0.074 0.000 1.850 55 V N 3.089 123.095 119.914 0.152 0.000 2.495 55 V HA 0.316 4.436 4.120 0.000 0.000 0.298 55 V C -0.497 175.734 176.094 0.229 0.000 1.031 55 V CA -0.786 61.609 62.300 0.160 0.000 0.871 55 V CB 1.920 33.815 31.823 0.120 0.000 0.988 55 V HN 0.412 nan 8.190 nan 0.000 0.432 56 W N 6.313 127.627 121.300 0.024 0.000 2.422 56 W HA 0.587 5.247 4.660 0.000 0.000 0.349 56 W C -0.589 175.941 176.519 0.018 0.000 1.062 56 W CA -0.871 56.484 57.345 0.018 0.000 1.497 56 W CB 0.643 30.109 29.460 0.009 0.000 1.407 56 W HN 0.379 nan 8.180 nan 0.000 0.393 57 V N 8.066 127.915 119.914 -0.108 0.000 2.407 57 V HA 0.634 4.754 4.120 0.000 0.000 0.278 57 V C -0.141 175.708 176.094 -0.407 0.000 1.037 57 V CA -0.663 61.502 62.300 -0.224 0.000 0.900 57 V CB 0.857 32.647 31.823 -0.055 0.000 0.983 57 V HN 0.487 nan 8.190 nan 0.000 0.459 58 R N 3.624 123.827 120.500 -0.496 0.000 2.716 58 R HA 0.888 5.229 4.340 0.000 0.000 0.271 58 R C -0.859 175.256 176.300 -0.310 0.000 1.028 58 R CA -0.573 55.257 56.100 -0.451 0.000 0.883 58 R CB 1.468 31.314 30.300 -0.757 0.000 1.250 58 R HN 0.722 nan 8.270 nan 0.000 0.465 59 A N 0.264 122.958 122.820 -0.210 0.000 2.264 59 A HA 0.907 5.227 4.320 0.000 0.000 0.304 59 A C 0.086 177.573 177.584 -0.162 0.000 1.100 59 A CA -0.035 51.909 52.037 -0.156 0.000 0.839 59 A CB 0.787 19.724 19.000 -0.106 0.000 1.121 59 A HN 1.114 nan 8.150 nan 0.000 0.496 60 G N -0.980 107.732 108.800 -0.146 0.000 2.495 60 G HA2 0.572 4.532 3.960 0.000 0.000 0.294 60 G HA3 0.572 4.532 3.960 0.000 0.000 0.294 60 G C -0.463 174.347 174.900 -0.150 0.000 1.397 60 G CA 0.211 45.233 45.100 -0.130 0.000 0.790 60 G HN 1.569 nan 8.290 nan 0.000 0.486 61 S N -1.201 114.427 115.700 -0.120 0.000 2.730 61 S HA 0.482 4.953 4.470 0.000 0.000 0.284 61 S C 0.932 175.460 174.600 -0.121 0.000 1.153 61 S CA -0.471 57.639 58.200 -0.152 0.000 0.995 61 S CB 0.998 64.163 63.200 -0.058 0.000 1.058 61 S HN 0.511 nan 8.310 nan 0.000 0.552 62 Y N 1.147 121.427 120.300 -0.034 0.000 2.193 62 Y HA -0.039 4.511 4.550 0.000 0.000 0.285 62 Y C 2.742 178.624 175.900 -0.031 0.000 1.166 62 Y CA 1.706 59.784 58.100 -0.037 0.000 1.181 62 Y CB -1.256 37.183 38.460 -0.036 0.000 0.976 62 Y HN 0.892 nan 8.280 nan 0.000 0.520 63 G N -0.318 108.561 108.800 0.131 0.000 2.442 63 G HA2 -0.244 3.716 3.960 0.000 0.000 0.219 63 G HA3 -0.244 3.716 3.960 0.000 0.000 0.219 63 G C 1.322 176.248 174.900 0.043 0.000 1.141 63 G CA 1.276 46.419 45.100 0.071 0.000 0.763 63 G HN 0.353 nan 8.290 nan 0.000 0.554 64 D N 0.335 120.746 120.400 0.019 0.000 2.350 64 D HA -0.018 4.622 4.640 0.000 0.000 0.216 64 D C 2.039 178.339 176.300 -0.000 0.000 0.968 64 D CA 0.279 54.279 54.000 0.000 0.000 0.894 64 D CB 0.084 40.859 40.800 -0.041 0.000 0.909 64 D HN 0.317 nan 8.370 nan 0.000 0.520 65 L N 0.929 122.161 121.223 0.015 0.000 2.645 65 L HA 0.067 4.407 4.340 0.000 0.000 0.235 65 L C 0.933 177.816 176.870 0.021 0.000 1.150 65 L CA -0.016 54.834 54.840 0.016 0.000 0.911 65 L CB -0.269 41.816 42.059 0.043 0.000 1.077 65 L HN -0.135 nan 8.230 nan 0.000 0.438 66 E N 0.548 120.763 120.200 0.026 0.000 2.366 66 E HA 0.173 4.523 4.350 0.000 0.000 0.266 66 E C 1.094 177.708 176.600 0.024 0.000 1.015 66 E CA 0.669 57.084 56.400 0.025 0.000 0.906 66 E CB 0.466 30.183 29.700 0.028 0.000 0.979 66 E HN 0.329 nan 8.360 nan 0.000 0.443 67 G N 2.719 111.529 108.800 0.018 0.000 2.148 67 G HA2 -0.306 3.655 3.960 0.000 0.000 0.254 67 G HA3 -0.306 3.655 3.960 0.000 0.000 0.254 67 G C 0.180 175.089 174.900 0.016 0.000 0.981 67 G CA 0.052 45.163 45.100 0.018 0.000 0.670 67 G HN 0.777 nan 8.290 nan 0.000 0.528 68 A N -0.306 122.520 122.820 0.010 0.000 2.409 68 A HA 0.708 5.028 4.320 0.000 0.000 0.262 68 A C 1.242 178.826 177.584 -0.000 0.000 1.113 68 A CA 0.483 52.522 52.037 0.004 0.000 0.790 68 A CB 0.278 19.277 19.000 -0.002 0.000 1.046 68 A HN 0.445 nan 8.150 nan 0.000 0.496 69 R N 0.962 121.461 120.500 -0.001 0.000 2.240 69 R HA 0.273 4.613 4.340 0.000 0.000 0.203 69 R C 0.337 176.630 176.300 -0.012 0.000 1.011 69 R CA 1.032 57.130 56.100 -0.005 0.000 1.007 69 R CB 0.198 30.497 30.300 -0.003 0.000 0.911 69 R HN 0.789 nan 8.270 nan 0.000 0.468 70 A N 0.079 122.890 122.820 -0.015 0.000 2.547 70 A HA 0.564 4.884 4.320 0.000 0.000 0.297 70 A C -1.353 176.216 177.584 -0.025 0.000 1.056 70 A CA -0.577 51.447 52.037 -0.023 0.000 0.688 70 A CB 1.945 20.928 19.000 -0.028 0.000 1.282 70 A HN -0.057 nan 8.150 nan 0.000 0.400 71 V N 1.996 121.892 119.914 -0.030 0.000 2.577 71 V HA 0.433 4.553 4.120 0.000 0.000 0.303 71 V C -0.435 175.634 176.094 -0.041 0.000 1.042 71 V CA -0.633 61.647 62.300 -0.033 0.000 0.872 71 V CB 1.758 33.562 31.823 -0.031 0.000 0.998 71 V HN 0.727 nan 8.190 nan 0.000 0.423 72 V N 6.347 126.238 119.914 -0.039 0.000 2.385 72 V HA 0.342 4.462 4.120 0.000 0.000 0.269 72 V C 0.110 176.179 176.094 -0.041 0.000 1.043 72 V CA -0.329 61.951 62.300 -0.034 0.000 0.906 72 V CB 1.247 33.054 31.823 -0.025 0.000 0.995 72 V HN 0.625 nan 8.190 nan 0.000 0.467 73 L N 5.210 126.403 121.223 -0.050 0.000 2.302 73 L HA 0.566 4.906 4.340 0.000 0.000 0.285 73 L C 0.671 177.565 176.870 0.041 0.000 1.090 73 L CA -0.110 54.681 54.840 -0.082 0.000 0.866 73 L CB 0.693 42.590 42.059 -0.270 0.000 1.244 73 L HN 0.728 nan 8.230 nan 0.000 0.435 74 A N 2.875 125.720 122.820 0.042 0.000 3.105 74 A HA 0.715 5.035 4.320 0.000 0.000 0.297 74 A C 0.349 177.982 177.584 0.081 0.000 0.977 74 A CA -0.257 51.824 52.037 0.074 0.000 1.020 74 A CB 0.344 19.364 19.000 0.033 0.000 1.098 74 A HN 0.634 nan 8.150 nan 0.000 0.497 75 A N -0.321 122.585 122.820 0.142 0.000 2.294 75 A HA 0.956 5.276 4.320 0.000 0.000 0.330 75 A C 0.777 178.454 177.584 0.156 0.000 1.133 75 A CA 0.161 52.279 52.037 0.134 0.000 0.836 75 A CB 0.660 19.745 19.000 0.142 0.000 1.190 75 A HN 2.301 nan 8.150 nan 0.000 0.492 76 G N -1.299 107.559 108.800 0.096 0.000 2.447 76 G HA2 0.158 4.118 3.960 0.000 0.000 0.220 76 G HA3 0.158 4.118 3.960 0.000 0.000 0.220 76 G C 0.279 175.196 174.900 0.028 0.000 1.261 76 G CA -0.079 45.058 45.100 0.061 0.000 1.000 76 G HN 1.387 nan 8.290 nan 0.000 0.515 77 V N 0.122 120.041 119.914 0.007 0.000 2.943 77 V HA 0.817 4.937 4.120 0.000 0.000 0.211 77 V C 1.488 177.576 176.094 -0.010 0.000 1.187 77 V CA 2.333 64.631 62.300 -0.003 0.000 1.278 77 V CB -0.226 31.591 31.823 -0.011 0.000 1.008 77 V HN 2.525 nan 8.190 nan 0.000 0.509 86 L N 0.715 121.941 121.223 0.004 0.000 2.012 86 L HA -0.205 4.135 4.340 0.000 0.000 0.210 86 L C 2.595 179.472 176.870 0.011 0.000 1.073 86 L CA 2.412 57.259 54.840 0.011 0.000 0.748 86 L CB -1.089 40.981 42.059 0.019 0.000 0.891 86 L HN 0.439 nan 8.230 nan 0.000 0.431 87 Q N -0.106 119.699 119.800 0.009 0.000 2.170 87 Q HA -0.236 4.104 4.340 0.000 0.000 0.203 87 Q C 2.258 178.261 176.000 0.004 0.000 0.976 87 Q CA 1.442 57.251 55.803 0.010 0.000 0.858 87 Q CB -0.718 28.025 28.738 0.008 0.000 0.907 87 Q HN 0.355 nan 8.270 nan 0.000 0.433 88 L N 0.561 121.781 121.223 -0.005 0.000 2.042 88 L HA -0.158 4.182 4.340 0.000 0.000 0.210 88 L C 1.972 178.827 176.870 -0.025 0.000 1.076 88 L CA 1.533 56.364 54.840 -0.015 0.000 0.749 88 L CB -0.594 41.452 42.059 -0.022 0.000 0.893 88 L HN 0.268 nan 8.230 nan 0.000 0.432 89 L N -0.112 121.095 121.223 -0.026 0.000 2.013 89 L HA -0.277 4.063 4.340 0.000 0.000 0.212 89 L C 2.339 179.196 176.870 -0.022 0.000 1.073 89 L CA 2.235 57.051 54.840 -0.040 0.000 0.753 89 L CB -1.141 40.907 42.059 -0.018 0.000 0.890 89 L HN 0.450 nan 8.230 nan 0.000 0.432 90 D N -0.843 119.567 120.400 0.015 0.000 2.123 90 D HA -0.191 4.449 4.640 0.000 0.000 0.196 90 D C 2.355 178.674 176.300 0.032 0.000 0.992 90 D CA 1.278 55.304 54.000 0.044 0.000 0.833 90 D CB 0.098 40.924 40.800 0.043 0.000 0.954 90 D HN 0.152 nan 8.370 nan 0.000 0.455 91 R N -0.246 120.261 120.500 0.012 0.000 2.073 91 R HA -0.055 4.285 4.340 0.000 0.000 0.234 91 R C 2.152 178.455 176.300 0.005 0.000 1.134 91 R CA 1.282 57.391 56.100 0.014 0.000 0.952 91 R CB -0.279 30.026 30.300 0.009 0.000 0.850 91 R HN 0.258 nan 8.270 nan 0.000 0.433 92 N N 0.675 119.352 118.700 -0.039 0.000 2.166 92 N HA -0.145 4.595 4.740 0.000 0.000 0.186 92 N C 1.637 177.061 175.510 -0.142 0.000 1.019 92 N CA 1.435 54.428 53.050 -0.095 0.000 0.856 92 N CB -0.236 38.139 38.487 -0.187 0.000 0.993 92 N HN 0.231 nan 8.380 nan 0.000 0.426 93 A N 1.098 123.850 122.820 -0.114 0.000 1.902 93 A HA -0.167 4.153 4.320 0.000 0.000 0.217 93 A C 2.168 179.799 177.584 0.078 0.000 1.181 93 A CA 1.256 53.253 52.037 -0.067 0.000 0.623 93 A CB -0.545 18.497 19.000 0.069 0.000 0.818 93 A HN 0.328 nan 8.150 nan 0.000 0.443 94 Q N -0.616 119.237 119.800 0.088 0.000 2.167 94 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 94 Q C 2.105 178.179 176.000 0.124 0.000 0.970 94 Q CA 1.383 57.250 55.803 0.107 0.000 0.855 94 Q CB -0.229 28.555 28.738 0.078 0.000 0.911 94 Q HN 0.514 nan 8.270 nan 0.000 0.438 95 V N 0.181 120.178 119.914 0.138 0.000 2.343 95 V HA -0.247 3.873 4.120 0.000 0.000 0.247 95 V C 1.831 178.088 176.094 0.272 0.000 1.051 95 V CA 1.623 64.034 62.300 0.186 0.000 1.036 95 V CB -0.538 31.409 31.823 0.208 0.000 0.654 95 V HN 0.288 nan 8.190 nan 0.000 0.451 96 F N 0.862 120.810 119.950 -0.004 0.000 2.186 96 F HA -0.065 4.462 4.527 0.000 0.000 0.299 96 F C 2.425 178.207 175.800 -0.030 0.000 1.090 96 F CA 0.896 58.880 58.000 -0.028 0.000 1.307 96 F CB -1.140 37.818 39.000 -0.070 0.000 1.019 96 F HN 0.099 nan 8.300 nan 0.000 0.489 97 A N -0.744 122.190 122.820 0.190 0.000 1.978 97 A HA -0.211 4.109 4.320 0.000 0.000 0.220 97 A C 2.197 179.805 177.584 0.040 0.000 1.170 97 A CA 1.506 53.607 52.037 0.107 0.000 0.636 97 A CB -0.476 18.600 19.000 0.126 0.000 0.810 97 A HN 0.334 nan 8.150 nan 0.000 0.448 98 Q N -0.769 119.060 119.800 0.048 0.000 2.163 98 Q HA -0.003 4.337 4.340 0.000 0.000 0.198 98 Q C 2.310 178.265 176.000 -0.075 0.000 0.954 98 Q CA 1.428 57.233 55.803 0.004 0.000 0.851 98 Q CB -0.282 28.485 28.738 0.049 0.000 0.928 98 Q HN 0.520 nan 8.270 nan 0.000 0.459 99 V N 0.025 119.898 119.914 -0.069 0.000 2.300 99 V HA -0.144 3.976 4.120 0.000 0.000 0.241 99 V C 2.480 178.420 176.094 -0.257 0.000 1.034 99 V CA 0.989 63.191 62.300 -0.164 0.000 1.021 99 V CB -0.704 31.049 31.823 -0.116 0.000 0.662 99 V HN 0.020 nan 8.190 nan 0.000 0.458 100 V N 0.785 120.559 119.914 -0.233 0.000 2.277 100 V HA -0.250 3.870 4.120 0.000 0.000 0.253 100 V C 0.084 176.070 176.094 -0.181 0.000 1.067 100 V CA 2.929 65.104 62.300 -0.208 0.000 1.047 100 V CB -2.019 29.712 31.823 -0.152 0.000 0.649 100 V HN 0.503 nan 8.190 nan 0.000 0.447 101 P HA -0.087 nan 4.420 nan 0.000 0.214 101 P C 1.678 178.846 177.300 -0.220 0.000 1.162 101 P CA 1.114 64.119 63.100 -0.158 0.000 0.874 101 P CB -0.173 31.453 31.700 -0.124 0.000 0.784 102 R N -0.380 119.907 120.500 -0.356 0.000 2.159 102 R HA -0.066 4.274 4.340 0.000 0.000 0.237 102 R C 2.005 178.031 176.300 -0.458 0.000 1.131 102 R CA 1.057 56.825 56.100 -0.553 0.000 0.982 102 R CB -1.667 27.909 30.300 -1.207 0.000 0.868 102 R HN 0.215 nan 8.270 nan 0.000 0.453 103 V N 1.269 120.982 119.914 -0.336 0.000 2.283 103 V HA -0.124 3.996 4.120 0.000 0.000 0.239 103 V C 2.446 178.484 176.094 -0.094 0.000 1.035 103 V CA 1.145 63.361 62.300 -0.139 0.000 1.018 103 V CB -0.489 31.272 31.823 -0.103 0.000 0.658 103 V HN 0.164 nan 8.190 nan 0.000 0.459 104 L N 0.260 121.420 121.223 -0.105 0.000 2.351 104 L HA -0.235 4.105 4.340 0.000 0.000 0.220 104 L C 2.457 179.287 176.870 -0.066 0.000 1.127 104 L CA 1.586 56.381 54.840 -0.075 0.000 0.786 104 L CB -0.554 41.458 42.059 -0.079 0.000 0.914 104 L HN 0.510 nan 8.230 nan 0.000 0.443 105 E N 0.293 120.442 120.200 -0.086 0.000 2.072 105 E HA -0.172 4.178 4.350 0.000 0.000 0.190 105 E C 2.186 178.763 176.600 -0.038 0.000 0.982 105 E CA 1.076 57.436 56.400 -0.067 0.000 0.803 105 E CB 0.099 29.743 29.700 -0.093 0.000 0.755 105 E HN 0.475 nan 8.360 nan 0.000 0.453 106 A N 0.205 123.008 122.820 -0.028 0.000 1.997 106 A HA 0.389 4.709 4.320 0.000 0.000 0.212 106 A C 1.236 178.821 177.584 0.002 0.000 1.178 106 A CA 0.733 52.771 52.037 0.002 0.000 0.698 106 A CB 0.410 19.431 19.000 0.035 0.000 0.842 106 A HN 0.205 nan 8.150 nan 0.000 0.458 107 A N -0.157 122.658 122.820 -0.007 0.000 3.159 107 A HA 0.619 4.939 4.320 0.000 0.000 0.330 107 A C -1.897 175.677 177.584 -0.017 0.000 1.032 107 A CA -1.001 51.032 52.037 -0.006 0.000 0.841 107 A CB 0.336 19.335 19.000 -0.002 0.000 1.093 107 A HN 0.094 nan 8.150 nan 0.000 0.478 108 P HA -0.160 nan 4.420 nan 0.000 0.217 108 P C 0.804 178.094 177.300 -0.017 0.000 1.148 108 P CA 1.315 64.403 63.100 -0.021 0.000 0.828 108 P CB 0.400 32.090 31.700 -0.018 0.000 0.783 109 E N -1.272 118.922 120.200 -0.011 0.000 2.465 109 E HA 0.256 4.606 4.350 0.000 0.000 0.195 109 E C 0.631 177.227 176.600 -0.007 0.000 1.028 109 E CA -0.198 56.198 56.400 -0.007 0.000 0.899 109 E CB -0.049 29.649 29.700 -0.003 0.000 1.032 109 E HN 0.136 nan 8.360 nan 0.000 0.468 110 A N 0.814 123.627 122.820 -0.012 0.000 2.322 110 A HA 0.382 4.702 4.320 0.000 0.000 0.269 110 A C 0.357 177.932 177.584 -0.015 0.000 1.094 110 A CA -0.419 51.610 52.037 -0.013 0.000 0.807 110 A CB 0.761 19.751 19.000 -0.016 0.000 1.047 110 A HN -0.006 nan 8.150 nan 0.000 0.487 111 V N 2.662 122.567 119.914 -0.015 0.000 2.546 111 V HA 0.215 4.335 4.120 0.000 0.000 0.284 111 V C 0.134 176.215 176.094 -0.022 0.000 1.050 111 V CA -0.139 62.153 62.300 -0.014 0.000 0.981 111 V CB 1.015 32.829 31.823 -0.016 0.000 0.990 111 V HN 0.661 nan 8.190 nan 0.000 0.474 112 L N 5.900 127.111 121.223 -0.020 0.000 2.265 112 L HA 0.474 4.814 4.340 0.000 0.000 0.288 112 L C -0.323 176.534 176.870 -0.020 0.000 1.058 112 L CA -0.258 54.563 54.840 -0.031 0.000 0.809 112 L CB 1.053 43.089 42.059 -0.039 0.000 1.179 112 L HN 0.455 nan 8.230 nan 0.000 0.429 113 L N 4.730 125.937 121.223 -0.027 0.000 2.335 113 L HA 0.330 4.670 4.340 0.000 0.000 0.268 113 L C -0.279 176.595 176.870 0.007 0.000 1.037 113 L CA -0.575 54.255 54.840 -0.016 0.000 0.895 113 L CB 1.496 43.537 42.059 -0.031 0.000 1.266 113 L HN 0.345 nan 8.230 nan 0.000 0.439 114 V N 3.274 123.214 119.914 0.042 0.000 2.529 114 V HA 0.085 4.205 4.120 0.000 0.000 0.292 114 V C 0.992 177.144 176.094 0.096 0.000 1.028 114 V CA 0.775 63.142 62.300 0.111 0.000 1.074 114 V CB 1.166 33.090 31.823 0.170 0.000 0.958 114 V HN 0.905 nan 8.190 nan 0.000 0.481 115 A N 3.602 126.494 122.820 0.121 0.000 2.141 115 A HA 0.231 4.551 4.320 0.000 0.000 0.201 115 A C 1.136 178.784 177.584 0.105 0.000 1.344 115 A CA 0.080 52.172 52.037 0.091 0.000 0.971 115 A CB 0.007 19.047 19.000 0.066 0.000 1.035 115 A HN 0.648 nan 8.150 nan 0.000 0.480 116 T N 2.679 117.324 114.554 0.152 0.000 2.905 116 T HA 0.068 4.418 4.350 0.000 0.000 0.299 116 T C 0.025 174.741 174.700 0.026 0.000 1.024 116 T CA 0.208 62.368 62.100 0.099 0.000 1.151 116 T CB -0.005 68.950 68.868 0.146 0.000 0.987 116 T HN 0.319 nan 8.240 nan 0.000 0.535 117 N N 3.905 122.606 118.700 0.001 0.000 2.524 117 N HA 0.291 5.031 4.740 0.000 0.000 0.283 117 N C -2.333 173.135 175.510 -0.070 0.000 1.142 117 N CA -1.584 51.451 53.050 -0.026 0.000 0.984 117 N CB 1.029 39.494 38.487 -0.037 0.000 1.155 117 N HN 0.367 nan 8.380 nan 0.000 0.467 118 P HA 0.073 nan 4.420 nan 0.000 0.287 118 P C 1.237 178.524 177.300 -0.023 0.000 1.307 118 P CA -0.425 62.648 63.100 -0.046 0.000 0.777 118 P CB 0.699 32.370 31.700 -0.048 0.000 0.883 119 V N 1.780 121.714 119.914 0.033 0.000 2.236 119 V HA -0.356 3.764 4.120 0.000 0.000 0.255 119 V C 1.696 177.808 176.094 0.031 0.000 1.068 119 V CA 2.294 64.625 62.300 0.051 0.000 1.044 119 V CB -1.640 30.240 31.823 0.095 0.000 0.653 119 V HN 0.335 nan 8.190 nan 0.000 0.448 120 D N 0.830 121.251 120.400 0.036 0.000 2.127 120 D HA -0.106 4.534 4.640 0.000 0.000 0.190 120 D C 1.328 177.632 176.300 0.006 0.000 1.000 120 D CA 1.684 55.696 54.000 0.021 0.000 0.839 120 D CB -0.692 40.120 40.800 0.021 0.000 0.955 120 D HN 0.484 nan 8.370 nan 0.000 0.446 124 Q N 1.907 121.752 119.800 0.074 0.000 2.061 124 Q HA -0.045 4.296 4.340 0.000 0.000 0.204 124 Q C 2.096 178.099 176.000 0.005 0.000 0.984 124 Q CA 2.315 58.199 55.803 0.135 0.000 0.846 124 Q CB -0.582 28.218 28.738 0.104 0.000 0.902 124 Q HN 0.406 nan 8.270 nan 0.000 0.421 125 V N 0.828 120.597 119.914 -0.241 0.000 2.255 125 V HA -0.323 3.798 4.120 0.000 0.000 0.247 125 V C 2.330 178.267 176.094 -0.263 0.000 1.051 125 V CA 1.936 63.845 62.300 -0.652 0.000 1.018 125 V CB -1.378 30.012 31.823 -0.721 0.000 0.641 125 V HN 0.577 nan 8.190 nan 0.000 0.445 126 A N -0.777 122.066 122.820 0.040 0.000 1.917 126 A HA -0.307 4.013 4.320 0.000 0.000 0.219 126 A C 2.164 179.769 177.584 0.035 0.000 1.182 126 A CA 2.403 54.512 52.037 0.120 0.000 0.633 126 A CB -0.851 18.266 19.000 0.194 0.000 0.819 126 A HN 0.674 nan 8.150 nan 0.000 0.448 127 Y N 1.158 121.425 120.300 -0.054 0.000 2.049 127 Y HA -0.273 4.277 4.550 0.000 0.000 0.277 127 Y C 2.520 178.340 175.900 -0.133 0.000 1.143 127 Y CA 2.274 60.311 58.100 -0.104 0.000 1.115 127 Y CB -0.555 37.819 38.460 -0.144 0.000 0.975 127 Y HN 0.299 nan 8.280 nan 0.000 0.487 128 R N -0.435 119.806 120.500 -0.431 0.000 2.117 128 R HA -0.184 4.156 4.340 0.000 0.000 0.243 128 R C 1.993 178.152 176.300 -0.236 0.000 1.143 128 R CA 1.634 57.480 56.100 -0.423 0.000 0.968 128 R CB -0.912 29.400 30.300 0.021 0.000 0.863 128 R HN 0.343 nan 8.270 nan 0.000 0.444 129 L N 1.098 122.242 121.223 -0.131 0.000 2.395 129 L HA -0.040 4.300 4.340 0.000 0.000 0.218 129 L C 2.457 179.263 176.870 -0.106 0.000 1.130 129 L CA 1.478 56.282 54.840 -0.060 0.000 0.826 129 L CB -0.387 41.662 42.059 -0.016 0.000 0.941 129 L HN 0.222 nan 8.230 nan 0.000 0.451 130 S N -1.692 113.913 115.700 -0.158 0.000 2.421 130 S HA 0.156 4.626 4.470 0.000 0.000 0.224 130 S C 1.791 176.304 174.600 -0.145 0.000 1.035 130 S CA 0.507 58.628 58.200 -0.131 0.000 0.953 130 S CB -0.199 62.945 63.200 -0.094 0.000 0.810 130 S HN 0.414 nan 8.310 nan 0.000 0.497 131 G N 1.237 109.897 108.800 -0.233 0.000 2.168 131 G HA2 -0.236 3.724 3.960 0.000 0.000 0.263 131 G HA3 -0.236 3.724 3.960 0.000 0.000 0.263 131 G C 0.043 174.867 174.900 -0.128 0.000 0.977 131 G CA 0.677 45.661 45.100 -0.193 0.000 0.659 131 G HN 0.570 nan 8.290 nan 0.000 0.533 132 L N 1.231 122.395 121.223 -0.099 0.000 2.469 132 L HA 0.499 4.839 4.340 0.000 0.000 0.253 132 L C -1.217 175.705 176.870 0.088 0.000 1.143 132 L CA -2.204 52.632 54.840 -0.006 0.000 0.804 132 L CB 0.268 42.338 42.059 0.018 0.000 1.214 132 L HN -0.047 nan 8.230 nan 0.000 0.476 133 P HA 0.153 nan 4.420 nan 0.000 0.275 133 P C -2.340 175.074 177.300 0.191 0.000 1.228 133 P CA -1.478 61.715 63.100 0.155 0.000 0.786 133 P CB 0.339 32.088 31.700 0.081 0.000 0.927 134 P HA -0.211 nan 4.420 nan 0.000 0.219 134 P C 1.562 178.843 177.300 -0.032 0.000 1.151 134 P CA 2.261 65.277 63.100 -0.140 0.000 0.850 134 P CB -0.400 31.233 31.700 -0.111 0.000 0.784 135 G N -1.087 107.722 108.800 0.016 0.000 2.572 135 G HA2 -0.161 3.799 3.960 0.000 0.000 0.216 135 G HA3 -0.161 3.799 3.960 0.000 0.000 0.216 135 G C 1.453 176.366 174.900 0.022 0.000 1.133 135 G CA 0.008 45.116 45.100 0.013 0.000 0.791 135 G HN 0.261 nan 8.290 nan 0.000 0.538 136 R N -0.423 120.101 120.500 0.041 0.000 2.313 136 R HA 0.159 4.500 4.340 0.000 0.000 0.199 136 R C -0.381 175.941 176.300 0.036 0.000 0.958 136 R CA 0.009 56.129 56.100 0.034 0.000 1.047 136 R CB 0.447 30.767 30.300 0.034 0.000 0.955 136 R HN 0.188 nan 8.270 nan 0.000 0.481 137 V N 1.862 121.809 119.914 0.055 0.000 2.349 137 V HA 0.250 4.371 4.120 0.000 0.000 0.284 137 V C -0.419 175.700 176.094 0.040 0.000 1.014 137 V CA -0.694 61.642 62.300 0.060 0.000 0.826 137 V CB 1.791 33.689 31.823 0.126 0.000 1.009 137 V HN -0.199 nan 8.190 nan 0.000 0.431 138 V N 3.574 123.500 119.914 0.020 0.000 2.448 138 V HA 0.771 4.891 4.120 0.000 0.000 0.295 138 V C 0.757 176.857 176.094 0.010 0.000 1.025 138 V CA -0.454 61.849 62.300 0.005 0.000 0.859 138 V CB 1.761 33.573 31.823 -0.019 0.000 0.988 138 V HN 0.830 nan 8.190 nan 0.000 0.431 139 G N 1.891 110.699 108.800 0.015 0.000 2.389 139 G HA2 0.434 4.394 3.960 0.000 0.000 0.317 139 G HA3 0.434 4.394 3.960 0.000 0.000 0.317 139 G C 0.991 175.888 174.900 -0.005 0.000 1.137 139 G CA 0.255 45.369 45.100 0.023 0.000 0.870 139 G HN 0.912 nan 8.290 nan 0.000 0.496 140 S N 1.342 117.038 115.700 -0.005 0.000 2.419 140 S HA 0.055 4.525 4.470 0.000 0.000 0.235 140 S C 2.079 176.637 174.600 -0.070 0.000 1.019 140 S CA 1.135 59.312 58.200 -0.038 0.000 0.982 140 S CB -0.849 62.337 63.200 -0.024 0.000 0.789 140 S HN 2.223 nan 8.310 nan 0.000 0.490 141 G N 1.729 110.496 108.800 -0.055 0.000 2.652 141 G HA2 -0.418 3.542 3.960 0.000 0.000 0.318 141 G HA3 -0.418 3.542 3.960 0.000 0.000 0.318 141 G C 0.748 175.480 174.900 -0.280 0.000 1.295 141 G CA 1.794 46.840 45.100 -0.090 0.000 0.999 141 G HN 1.378 nan 8.290 nan 0.000 0.548 142 T N -0.070 114.366 114.554 -0.197 0.000 3.206 142 T HA 0.461 4.811 4.350 0.000 0.000 0.253 142 T C 2.293 176.913 174.700 -0.133 0.000 1.042 142 T CA 0.983 62.947 62.100 -0.228 0.000 0.931 142 T CB -0.426 68.387 68.868 -0.091 0.000 1.029 142 T HN 1.113 nan 8.240 nan 0.000 0.564 143 I N -1.275 119.236 120.570 -0.098 0.000 2.194 143 I HA -0.120 4.050 4.170 0.000 0.000 0.246 143 I C 1.929 178.039 176.117 -0.011 0.000 1.093 143 I CA 1.224 62.518 61.300 -0.010 0.000 1.355 143 I CB -0.762 37.248 38.000 0.018 0.000 1.046 143 I HN 0.126 nan 8.210 nan 0.000 0.413 144 L N 1.413 122.601 121.223 -0.058 0.000 2.093 144 L HA -0.144 4.196 4.340 0.000 0.000 0.208 144 L C 2.292 179.165 176.870 0.004 0.000 1.085 144 L CA 1.784 56.614 54.840 -0.017 0.000 0.755 144 L CB -1.040 41.010 42.059 -0.015 0.000 0.904 144 L HN 0.316 nan 8.230 nan 0.000 0.435 145 D N -1.401 118.986 120.400 -0.021 0.000 2.117 145 D HA -0.137 4.503 4.640 0.000 0.000 0.198 145 D C 1.944 178.271 176.300 0.046 0.000 0.982 145 D CA 1.706 55.712 54.000 0.011 0.000 0.828 145 D CB -0.028 40.769 40.800 -0.005 0.000 0.967 145 D HN 0.302 nan 8.370 nan 0.000 0.464 146 T N 1.293 115.877 114.554 0.050 0.000 2.708 146 T HA -0.129 4.221 4.350 0.000 0.000 0.266 146 T C 2.115 176.860 174.700 0.075 0.000 1.037 146 T CA 1.557 63.718 62.100 0.100 0.000 1.146 146 T CB -0.261 68.664 68.868 0.095 0.000 0.865 146 T HN 0.183 nan 8.240 nan 0.000 0.435 147 A N 1.379 124.227 122.820 0.046 0.000 1.933 147 A HA -0.092 4.228 4.320 0.000 0.000 0.218 147 A C 2.266 179.875 177.584 0.042 0.000 1.175 147 A CA 1.727 53.781 52.037 0.028 0.000 0.628 147 A CB -0.462 18.558 19.000 0.033 0.000 0.814 147 A HN 0.255 nan 8.150 nan 0.000 0.444 148 R N -1.276 119.264 120.500 0.066 0.000 2.115 148 R HA -0.006 4.334 4.340 0.000 0.000 0.226 148 R C 1.679 178.061 176.300 0.136 0.000 1.100 148 R CA 1.062 57.210 56.100 0.080 0.000 0.980 148 R CB -0.911 29.431 30.300 0.070 0.000 0.875 148 R HN 0.452 nan 8.270 nan 0.000 0.445 149 F N 1.285 121.189 119.950 -0.076 0.000 2.102 149 F HA -0.110 4.417 4.527 0.000 0.000 0.298 149 F C 1.631 177.351 175.800 -0.134 0.000 1.105 149 F CA 1.645 59.563 58.000 -0.136 0.000 1.239 149 F CB -0.338 38.537 39.000 -0.209 0.000 0.991 149 F HN -0.018 nan 8.300 nan 0.000 0.474 150 R N -0.143 120.293 120.500 -0.107 0.000 2.115 150 R HA -0.013 4.327 4.340 0.000 0.000 0.230 150 R C 2.356 178.601 176.300 -0.091 0.000 1.111 150 R CA 1.017 56.983 56.100 -0.222 0.000 0.976 150 R CB -0.695 29.483 30.300 -0.203 0.000 0.870 150 R HN 0.323 nan 8.270 nan 0.000 0.445 151 A N 1.331 124.142 122.820 -0.015 0.000 1.898 151 A HA -0.073 4.247 4.320 0.000 0.000 0.216 151 A C 2.149 179.763 177.584 0.050 0.000 1.181 151 A CA 0.960 53.008 52.037 0.017 0.000 0.620 151 A CB -0.376 18.643 19.000 0.032 0.000 0.819 151 A HN 0.143 nan 8.150 nan 0.000 0.442 152 L N -0.662 120.610 121.223 0.082 0.000 2.056 152 L HA -0.136 4.204 4.340 0.000 0.000 0.207 152 L C 2.537 179.497 176.870 0.150 0.000 1.078 152 L CA 0.891 55.809 54.840 0.129 0.000 0.749 152 L CB -0.529 41.630 42.059 0.167 0.000 0.901 152 L HN 0.357 nan 8.230 nan 0.000 0.433 153 L N -0.382 120.889 121.223 0.081 0.000 2.046 153 L HA -0.191 4.149 4.340 0.000 0.000 0.208 153 L C 2.912 179.860 176.870 0.130 0.000 1.077 153 L CA 1.168 56.059 54.840 0.083 0.000 0.747 153 L CB -0.764 41.226 42.059 -0.115 0.000 0.896 153 L HN 0.237 nan 8.230 nan 0.000 0.432 154 A N -0.080 122.775 122.820 0.058 0.000 1.883 154 A HA -0.285 4.035 4.320 0.000 0.000 0.217 154 A C 2.273 179.913 177.584 0.094 0.000 1.186 154 A CA 2.034 54.109 52.037 0.063 0.000 0.624 154 A CB -0.598 18.411 19.000 0.016 0.000 0.822 154 A HN 0.493 nan 8.150 nan 0.000 0.444 155 E N -1.713 118.546 120.200 0.098 0.000 2.051 155 E HA -0.256 4.094 4.350 0.000 0.000 0.192 155 E C 1.893 178.556 176.600 0.105 0.000 0.991 155 E CA 1.586 58.040 56.400 0.089 0.000 0.799 155 E CB -0.354 29.403 29.700 0.095 0.000 0.748 155 E HN 0.701 nan 8.360 nan 0.000 0.449 156 Y N 0.911 121.247 120.300 0.060 0.000 2.145 156 Y HA -0.140 4.410 4.550 0.000 0.000 0.286 156 Y C 1.934 177.870 175.900 0.061 0.000 1.145 156 Y CA 1.678 59.817 58.100 0.065 0.000 1.148 156 Y CB -0.044 38.471 38.460 0.090 0.000 0.981 156 Y HN 0.038 nan 8.280 nan 0.000 0.507 157 L N -0.076 121.297 121.223 0.250 0.000 2.313 157 L HA -0.036 4.304 4.340 0.000 0.000 0.214 157 L C 0.460 177.380 176.870 0.083 0.000 1.119 157 L CA 0.771 55.725 54.840 0.190 0.000 0.809 157 L CB -0.271 42.002 42.059 0.358 0.000 0.933 157 L HN 0.159 nan 8.230 nan 0.000 0.449 158 R N -0.594 119.945 120.500 0.064 0.000 3.246 158 R HA -0.109 4.232 4.340 0.000 0.000 0.260 158 R C -0.744 175.603 176.300 0.079 0.000 1.034 158 R CA 0.206 56.328 56.100 0.037 0.000 0.691 158 R CB -2.250 28.041 30.300 -0.015 0.000 1.186 158 R HN 0.214 nan 8.270 nan 0.000 0.416 159 V N -0.468 119.508 119.914 0.103 0.000 3.078 159 V HA 0.811 4.931 4.120 0.000 0.000 0.311 159 V C -0.488 175.630 176.094 0.040 0.000 1.138 159 V CA -0.170 62.190 62.300 0.100 0.000 1.007 159 V CB 2.230 34.157 31.823 0.173 0.000 1.045 159 V HN 0.423 nan 8.190 nan 0.000 0.432 160 A N 5.318 128.145 122.820 0.012 0.000 2.440 160 A HA 0.532 4.852 4.320 0.000 0.000 0.251 160 A C -1.692 175.873 177.584 -0.032 0.000 1.089 160 A CA -0.787 51.245 52.037 -0.008 0.000 0.779 160 A CB 0.095 19.087 19.000 -0.013 0.000 1.022 160 A HN 0.781 nan 8.150 nan 0.000 0.492 161 P HA -0.209 nan 4.420 nan 0.000 0.217 161 P C 0.947 178.203 177.300 -0.074 0.000 1.148 161 P CA 1.416 64.485 63.100 -0.052 0.000 0.834 161 P CB 0.190 31.870 31.700 -0.034 0.000 0.783 162 Q N -1.382 118.382 119.800 -0.061 0.000 2.291 162 Q HA -0.011 4.329 4.340 0.000 0.000 0.205 162 Q C 1.985 177.934 176.000 -0.086 0.000 0.970 162 Q CA 1.288 57.050 55.803 -0.067 0.000 0.876 162 Q CB -0.988 27.720 28.738 -0.049 0.000 0.935 162 Q HN 0.201 nan 8.270 nan 0.000 0.455 163 S N -0.729 114.913 115.700 -0.097 0.000 2.528 163 S HA 0.107 4.577 4.470 0.000 0.000 0.219 163 S C 0.421 174.916 174.600 -0.174 0.000 0.985 163 S CA -0.160 57.959 58.200 -0.134 0.000 0.914 163 S CB 0.456 63.570 63.200 -0.144 0.000 0.776 163 S HN 0.044 nan 8.310 nan 0.000 0.526 164 V N 3.444 123.263 119.914 -0.158 0.000 2.432 164 V HA 0.259 4.379 4.120 0.000 0.000 0.275 164 V C -0.089 175.887 176.094 -0.197 0.000 1.043 164 V CA -0.543 61.642 62.300 -0.191 0.000 0.925 164 V CB 0.944 32.653 31.823 -0.191 0.000 0.985 164 V HN 0.407 nan 8.190 nan 0.000 0.466 165 H N 4.802 123.674 119.070 -0.330 0.000 2.762 165 H HA 0.771 5.327 4.556 0.000 0.000 0.310 165 H C -0.755 174.268 175.328 -0.508 0.000 1.004 165 H CA -0.123 55.681 56.048 -0.408 0.000 1.267 165 H CB 1.457 31.014 29.762 -0.343 0.000 1.437 165 H HN 0.773 nan 8.280 nan 0.000 0.498 166 A N 4.900 127.165 122.820 -0.924 0.000 2.572 166 A HA 0.612 4.932 4.320 0.000 0.000 0.295 166 A C -2.153 175.007 177.584 -0.707 0.000 1.072 166 A CA -0.619 50.926 52.037 -0.819 0.000 0.691 166 A CB 1.540 19.908 19.000 -1.052 0.000 1.291 166 A HN 0.533 nan 8.150 nan 0.000 0.404 167 Y N -0.461 119.744 120.300 -0.158 0.000 2.536 167 Y HA 0.623 5.173 4.550 0.000 0.000 0.347 167 Y C -0.198 175.735 175.900 0.055 0.000 1.000 167 Y CA -1.133 56.931 58.100 -0.061 0.000 1.051 167 Y CB 2.427 40.824 38.460 -0.105 0.000 1.259 167 Y HN 0.428 nan 8.280 nan 0.000 0.468 168 V N 4.535 124.565 119.914 0.193 0.000 2.444 168 V HA 0.493 4.613 4.120 0.000 0.000 0.294 168 V C -0.401 175.705 176.094 0.020 0.000 1.022 168 V CA -0.714 61.605 62.300 0.032 0.000 0.850 168 V CB 1.260 33.068 31.823 -0.024 0.000 0.992 168 V HN 0.597 nan 8.190 nan 0.000 0.426 169 L N 3.316 124.538 121.223 -0.001 0.000 2.271 169 L HA 0.979 5.319 4.340 0.000 0.000 0.265 169 L C 1.038 177.900 176.870 -0.014 0.000 1.013 169 L CA 0.026 54.849 54.840 -0.027 0.000 0.820 169 L CB 1.944 43.983 42.059 -0.033 0.000 1.352 169 L HN 0.860 nan 8.230 nan 0.000 0.443 170 G N 0.792 109.578 108.800 -0.022 0.000 2.488 170 G HA2 -0.233 3.728 3.960 0.000 0.000 0.237 170 G HA3 -0.233 3.728 3.960 0.000 0.000 0.237 170 G C -0.398 174.508 174.900 0.010 0.000 1.209 170 G CA -0.018 45.078 45.100 -0.007 0.000 0.929 170 G HN 0.748 nan 8.290 nan 0.000 0.578 171 E N 0.624 120.840 120.200 0.026 0.000 2.289 171 E HA 0.332 4.682 4.350 0.000 0.000 0.278 171 E C -0.223 176.439 176.600 0.103 0.000 1.032 171 E CA -0.548 55.881 56.400 0.049 0.000 0.854 171 E CB 0.380 30.099 29.700 0.032 0.000 1.046 171 E HN 0.603 nan 8.360 nan 0.000 0.409 172 H N 3.928 122.996 119.070 -0.004 0.000 3.232 172 H HA 0.348 4.905 4.556 0.000 0.000 0.254 172 H C -0.041 175.295 175.328 0.014 0.000 1.213 172 H CA 1.011 57.061 56.048 0.003 0.000 1.503 172 H CB -0.246 29.516 29.762 0.001 0.000 1.563 172 H HN 0.697 nan 8.280 nan 0.000 0.490 173 G N 3.583 112.412 108.800 0.047 0.000 2.512 173 G HA2 -0.122 3.838 3.960 0.000 0.000 0.181 173 G HA3 -0.122 3.838 3.960 0.000 0.000 0.181 173 G C 0.025 174.961 174.900 0.059 0.000 1.173 173 G CA -0.112 44.973 45.100 -0.026 0.000 0.988 173 G HN 0.401 nan 8.290 nan 0.000 0.485 174 D N 0.225 120.665 120.400 0.065 0.000 2.323 174 D HA 0.187 4.827 4.640 0.000 0.000 0.209 174 D C 2.158 178.473 176.300 0.025 0.000 0.973 174 D CA 1.098 55.125 54.000 0.045 0.000 0.874 174 D CB 0.310 41.136 40.800 0.042 0.000 0.930 174 D HN 0.167 nan 8.370 nan 0.000 0.521 175 S N 0.330 116.047 115.700 0.029 0.000 2.650 175 S HA 0.014 4.484 4.470 0.000 0.000 0.219 175 S C 0.383 174.997 174.600 0.024 0.000 0.960 175 S CA 0.022 58.237 58.200 0.024 0.000 0.925 175 S CB -0.143 63.071 63.200 0.023 0.000 0.775 175 S HN 0.287 nan 8.310 nan 0.000 0.525 176 E N 1.502 121.719 120.200 0.029 0.000 2.452 176 E HA 0.045 4.395 4.350 0.000 0.000 0.261 176 E C -0.834 175.764 176.600 -0.004 0.000 0.987 176 E CA 0.166 56.578 56.400 0.020 0.000 0.926 176 E CB 0.589 30.301 29.700 0.020 0.000 0.934 176 E HN -0.006 nan 8.360 nan 0.000 0.452 177 V N 5.643 125.552 119.914 -0.008 0.000 2.313 177 V HA 0.122 4.242 4.120 0.000 0.000 0.278 177 V C -0.334 175.732 176.094 -0.047 0.000 1.017 177 V CA -0.686 61.612 62.300 -0.002 0.000 0.823 177 V CB 0.777 32.614 31.823 0.024 0.000 1.010 177 V HN 0.482 nan 8.190 nan 0.000 0.443 178 L N 5.684 126.836 121.223 -0.118 0.000 2.369 178 L HA 0.222 4.562 4.340 0.000 0.000 0.279 178 L C 0.400 177.204 176.870 -0.110 0.000 1.108 178 L CA 0.533 55.155 54.840 -0.364 0.000 0.852 178 L CB 1.339 42.925 42.059 -0.789 0.000 1.169 178 L HN 0.445 nan 8.230 nan 0.000 0.452 179 V N 5.013 124.942 119.914 0.025 0.000 2.223 179 V HA -0.021 4.099 4.120 0.000 0.000 0.249 179 V C 0.530 176.734 176.094 0.182 0.000 1.233 179 V CA -0.135 62.254 62.300 0.148 0.000 1.131 179 V CB -0.851 31.084 31.823 0.187 0.000 1.298 179 V HN 0.823 nan 8.190 nan 0.000 0.498 180 W N 1.897 123.328 121.300 0.219 0.000 2.418 180 W HA -0.143 4.517 4.660 0.000 0.000 0.292 180 W C 2.733 179.323 176.519 0.118 0.000 1.213 180 W CA 1.247 58.710 57.345 0.196 0.000 1.283 180 W CB -0.525 29.029 29.460 0.157 0.000 1.119 180 W HN 0.656 nan 8.180 nan 0.000 0.542 181 S N 0.721 116.627 115.700 0.343 0.000 2.380 181 S HA -0.289 4.181 4.470 0.000 0.000 0.229 181 S C 1.667 176.371 174.600 0.172 0.000 1.050 181 S CA 2.137 60.465 58.200 0.215 0.000 1.100 181 S CB -1.296 62.004 63.200 0.167 0.000 0.984 181 S HN 0.202 nan 8.310 nan 0.000 0.434 182 S N 1.225 117.025 115.700 0.167 0.000 2.582 182 S HA 0.721 5.191 4.470 0.000 0.000 0.234 182 S C 0.434 175.113 174.600 0.131 0.000 0.961 182 S CA -0.206 58.078 58.200 0.140 0.000 0.953 182 S CB -0.174 63.117 63.200 0.152 0.000 0.800 182 S HN 0.848 nan 8.310 nan 0.000 0.471 183 A N 1.430 124.313 122.820 0.105 0.000 2.445 183 A HA 0.541 4.861 4.320 0.000 0.000 0.242 183 A C 0.261 177.863 177.584 0.031 0.000 1.075 183 A CA -0.069 51.977 52.037 0.014 0.000 0.777 183 A CB 0.278 19.213 19.000 -0.108 0.000 1.013 183 A HN 0.613 nan 8.150 nan 0.000 0.493 184 Q N -0.267 119.538 119.800 0.008 0.000 2.544 184 Q HA 0.675 5.015 4.340 0.000 0.000 0.291 184 Q C -1.702 174.209 176.000 -0.150 0.000 1.068 184 Q CA -0.899 54.868 55.803 -0.060 0.000 0.785 184 Q CB 2.682 31.353 28.738 -0.112 0.000 1.481 184 Q HN 0.478 nan 8.270 nan 0.000 0.430 185 V N 0.945 120.709 119.914 -0.250 0.000 2.498 185 V HA 0.439 4.559 4.120 0.000 0.000 0.283 185 V C 0.306 176.113 176.094 -0.478 0.000 1.015 185 V CA 0.057 62.070 62.300 -0.479 0.000 0.867 185 V CB 1.168 32.399 31.823 -0.987 0.000 1.025 185 V HN 1.033 nan 8.190 nan 0.000 0.441 186 G N 3.266 111.874 108.800 -0.320 0.000 2.221 186 G HA2 0.069 4.029 3.960 0.000 0.000 0.265 186 G HA3 0.069 4.029 3.960 0.000 0.000 0.265 186 G C 1.204 176.003 174.900 -0.168 0.000 1.041 186 G CA 0.802 45.763 45.100 -0.232 0.000 0.807 186 G HN 2.341 nan 8.290 nan 0.000 0.502 187 G N -3.199 105.500 108.800 -0.169 0.000 2.179 187 G HA2 -0.046 3.914 3.960 0.000 0.000 0.260 187 G HA3 -0.046 3.914 3.960 0.000 0.000 0.260 187 G C 0.466 175.315 174.900 -0.084 0.000 0.977 187 G CA 0.669 45.693 45.100 -0.127 0.000 0.641 187 G HN 1.674 nan 8.290 nan 0.000 0.533 188 V N 1.546 121.410 119.914 -0.083 0.000 2.532 188 V HA 0.518 4.638 4.120 0.000 0.000 0.295 188 V C -1.788 174.316 176.094 0.016 0.000 1.041 188 V CA -1.809 60.488 62.300 -0.005 0.000 0.926 188 V CB 1.817 33.680 31.823 0.066 0.000 0.992 188 V HN 0.047 nan 8.190 nan 0.000 0.457 189 P HA 0.043 nan 4.420 nan 0.000 0.264 189 P C 0.662 178.036 177.300 0.124 0.000 1.193 189 P CA -0.083 63.060 63.100 0.071 0.000 0.763 189 P CB 0.598 32.342 31.700 0.073 0.000 0.810 190 L N 5.549 126.842 121.223 0.117 0.000 1.991 190 L HA -0.255 4.085 4.340 0.000 0.000 0.221 190 L C 1.861 178.863 176.870 0.220 0.000 1.079 190 L CA 2.083 57.025 54.840 0.171 0.000 0.778 190 L CB -1.270 40.872 42.059 0.139 0.000 0.893 190 L HN 0.374 nan 8.230 nan 0.000 0.437 191 L N -0.485 120.839 121.223 0.168 0.000 2.079 191 L HA -0.223 4.117 4.340 0.000 0.000 0.210 191 L C 2.606 179.539 176.870 0.104 0.000 1.081 191 L CA 1.933 56.849 54.840 0.126 0.000 0.752 191 L CB -0.889 41.224 42.059 0.089 0.000 0.896 191 L HN 0.570 nan 8.230 nan 0.000 0.433 192 E N -0.595 119.672 120.200 0.112 0.000 2.230 192 E HA -0.198 4.152 4.350 0.000 0.000 0.192 192 E C 2.151 178.810 176.600 0.098 0.000 0.987 192 E CA 0.597 57.047 56.400 0.084 0.000 0.841 192 E CB -0.421 29.324 29.700 0.074 0.000 0.783 192 E HN 0.399 nan 8.360 nan 0.000 0.481 193 F N 2.873 122.842 119.950 0.032 0.000 2.113 193 F HA 0.012 4.539 4.527 0.000 0.000 0.297 193 F C 2.372 178.198 175.800 0.044 0.000 1.103 193 F CA 1.359 59.376 58.000 0.029 0.000 1.248 193 F CB -0.442 38.571 39.000 0.022 0.000 0.999 193 F HN 0.055 nan 8.300 nan 0.000 0.475 194 A N 0.346 123.152 122.820 -0.023 0.000 1.883 194 A HA -0.230 4.090 4.320 0.000 0.000 0.217 194 A C 2.160 179.679 177.584 -0.108 0.000 1.186 194 A CA 2.041 54.037 52.037 -0.068 0.000 0.624 194 A CB -0.993 18.086 19.000 0.132 0.000 0.822 194 A HN 0.585 nan 8.150 nan 0.000 0.444 195 E N -0.438 119.732 120.200 -0.050 0.000 2.072 195 E HA -0.082 4.268 4.350 0.000 0.000 0.191 195 E C 2.307 178.850 176.600 -0.094 0.000 0.985 195 E CA 0.847 57.220 56.400 -0.045 0.000 0.801 195 E CB -0.291 29.401 29.700 -0.012 0.000 0.750 195 E HN 0.622 nan 8.360 nan 0.000 0.452 196 A N 1.327 124.068 122.820 -0.132 0.000 1.972 196 A HA -0.189 4.131 4.320 0.000 0.000 0.219 196 A C 2.094 179.553 177.584 -0.208 0.000 1.169 196 A CA 1.476 53.428 52.037 -0.142 0.000 0.635 196 A CB -0.357 18.572 19.000 -0.119 0.000 0.810 196 A HN 0.028 nan 8.150 nan 0.000 0.446 197 R N -1.324 118.963 120.500 -0.355 0.000 2.275 197 R HA 0.166 4.507 4.340 0.000 0.000 0.199 197 R C 1.191 177.380 176.300 -0.186 0.000 0.989 197 R CA 0.970 56.869 56.100 -0.335 0.000 1.016 197 R CB -0.182 29.793 30.300 -0.542 0.000 0.918 197 R HN 0.730 nan 8.270 nan 0.000 0.473 198 G N 0.386 109.102 108.800 -0.140 0.000 2.141 198 G HA2 -0.287 3.673 3.960 0.000 0.000 0.242 198 G HA3 -0.287 3.673 3.960 0.000 0.000 0.242 198 G C 0.026 174.883 174.900 -0.072 0.000 0.982 198 G CA 0.241 45.289 45.100 -0.086 0.000 0.662 198 G HN 0.309 nan 8.290 nan 0.000 0.527 199 R N 0.485 120.944 120.500 -0.068 0.000 2.983 199 R HA 0.643 4.983 4.340 0.000 0.000 0.300 199 R C 0.844 177.273 176.300 0.215 0.000 1.367 199 R CA 0.434 56.529 56.100 -0.008 0.000 1.564 199 R CB 0.542 30.765 30.300 -0.129 0.000 1.314 199 R HN 0.659 nan 8.270 nan 0.000 0.622 200 A N 1.055 123.955 122.820 0.135 0.000 2.531 200 A HA 0.123 4.443 4.320 0.000 0.000 0.236 200 A C -0.019 177.670 177.584 0.176 0.000 1.062 200 A CA 0.060 52.172 52.037 0.124 0.000 0.760 200 A CB 0.184 19.218 19.000 0.057 0.000 0.995 200 A HN 0.542 nan 8.150 nan 0.000 0.501 201 L N 3.655 124.914 121.223 0.059 0.000 2.328 201 L HA 0.184 4.524 4.340 0.000 0.000 0.280 201 L C 0.988 177.793 176.870 -0.109 0.000 1.111 201 L CA -0.387 54.389 54.840 -0.106 0.000 0.909 201 L CB 0.193 42.179 42.059 -0.122 0.000 1.277 201 L HN 0.919 nan 8.230 nan 0.000 0.433 202 S N 2.484 118.134 115.700 -0.082 0.000 2.596 202 S HA 0.217 4.687 4.470 0.000 0.000 0.260 202 S C -1.774 172.741 174.600 -0.141 0.000 1.336 202 S CA -0.998 57.155 58.200 -0.079 0.000 0.993 202 S CB 0.677 63.857 63.200 -0.034 0.000 0.923 202 S HN 0.303 nan 8.310 nan 0.000 0.567 203 P HA -0.052 nan 4.420 nan 0.000 0.218 203 P C 1.402 178.614 177.300 -0.148 0.000 1.149 203 P CA 1.140 64.138 63.100 -0.169 0.000 0.817 203 P CB 0.054 31.679 31.700 -0.124 0.000 0.785 204 E N -0.006 120.137 120.200 -0.094 0.000 2.107 204 E HA -0.164 4.186 4.350 0.000 0.000 0.191 204 E C 1.433 177.996 176.600 -0.062 0.000 0.982 204 E CA 1.391 57.753 56.400 -0.063 0.000 0.809 204 E CB -0.931 28.750 29.700 -0.031 0.000 0.756 204 E HN 0.098 nan 8.360 nan 0.000 0.459 205 D N 0.108 120.455 120.400 -0.088 0.000 2.117 205 D HA -0.114 4.526 4.640 0.000 0.000 0.197 205 D C 1.957 178.186 176.300 -0.118 0.000 0.987 205 D CA 0.998 54.929 54.000 -0.116 0.000 0.829 205 D CB -0.206 40.441 40.800 -0.255 0.000 0.961 205 D HN 0.220 nan 8.370 nan 0.000 0.460 206 R N 0.672 121.054 120.500 -0.195 0.000 2.092 206 R HA 0.038 4.378 4.340 0.000 0.000 0.231 206 R C 2.239 178.507 176.300 -0.054 0.000 1.119 206 R CA 1.038 56.998 56.100 -0.234 0.000 0.970 206 R CB -0.255 29.558 30.300 -0.812 0.000 0.864 206 R HN 0.102 nan 8.270 nan 0.000 0.440 207 A N 1.562 124.328 122.820 -0.088 0.000 1.902 207 A HA -0.189 4.131 4.320 0.000 0.000 0.217 207 A C 2.189 179.786 177.584 0.022 0.000 1.181 207 A CA 1.307 53.325 52.037 -0.032 0.000 0.623 207 A CB -0.491 18.479 19.000 -0.050 0.000 0.818 207 A HN 0.229 nan 8.150 nan 0.000 0.443 208 R N -0.293 120.221 120.500 0.022 0.000 2.091 208 R HA -0.106 4.234 4.340 0.000 0.000 0.238 208 R C 1.886 178.237 176.300 0.084 0.000 1.136 208 R CA 1.894 58.022 56.100 0.046 0.000 0.959 208 R CB -0.379 29.949 30.300 0.047 0.000 0.856 208 R HN 0.553 nan 8.270 nan 0.000 0.437 209 I N 0.720 121.371 120.570 0.134 0.000 2.439 209 I HA -0.236 3.934 4.170 0.000 0.000 0.251 209 I C 2.317 178.533 176.117 0.165 0.000 1.139 209 I CA 1.207 62.628 61.300 0.201 0.000 1.438 209 I CB -0.418 37.800 38.000 0.364 0.000 1.085 209 I HN 0.374 nan 8.210 nan 0.000 0.427 210 D N 1.025 121.533 120.400 0.180 0.000 2.097 210 D HA -0.270 4.370 4.640 0.000 0.000 0.195 210 D C 1.989 178.304 176.300 0.025 0.000 0.989 210 D CA 1.428 55.486 54.000 0.098 0.000 0.827 210 D CB 0.097 40.971 40.800 0.123 0.000 0.966 210 D HN 0.388 nan 8.370 nan 0.000 0.456 211 E N -0.337 119.879 120.200 0.028 0.000 2.150 211 E HA -0.107 4.243 4.350 0.000 0.000 0.193 211 E C 2.048 178.659 176.600 0.019 0.000 0.985 211 E CA 0.964 57.366 56.400 0.004 0.000 0.814 211 E CB -0.234 29.465 29.700 -0.001 0.000 0.752 211 E HN 0.332 nan 8.360 nan 0.000 0.466 212 G N 0.299 109.124 108.800 0.042 0.000 2.422 212 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 212 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 212 G C 1.546 176.474 174.900 0.046 0.000 1.146 212 G CA 0.939 46.071 45.100 0.053 0.000 0.769 212 G HN 0.211 nan 8.290 nan 0.000 0.547 213 V N 0.051 119.977 119.914 0.020 0.000 2.374 213 V HA 0.050 4.170 4.120 0.000 0.000 0.241 213 V C 2.656 178.757 176.094 0.013 0.000 1.034 213 V CA 1.565 63.863 62.300 -0.003 0.000 1.037 213 V CB -0.389 31.366 31.823 -0.114 0.000 0.682 213 V HN 0.309 nan 8.190 nan 0.000 0.463 214 R N 0.038 120.534 120.500 -0.008 0.000 2.092 214 R HA -0.084 4.256 4.340 0.000 0.000 0.231 214 R C 2.022 178.351 176.300 0.048 0.000 1.119 214 R CA 1.100 57.207 56.100 0.012 0.000 0.970 214 R CB 0.072 30.357 30.300 -0.025 0.000 0.864 214 R HN 0.275 nan 8.270 nan 0.000 0.440 215 R N -0.435 120.080 120.500 0.026 0.000 2.393 215 R HA 0.202 4.542 4.340 0.000 0.000 0.244 215 R C 1.482 177.863 176.300 0.136 0.000 0.920 215 R CA 0.544 56.670 56.100 0.044 0.000 1.076 215 R CB 0.356 30.621 30.300 -0.057 0.000 1.119 215 R HN 0.206 nan 8.270 nan 0.000 0.524 216 A N 1.649 124.537 122.820 0.114 0.000 1.859 216 A HA -0.179 4.142 4.320 0.000 0.000 0.217 216 A C 2.345 179.998 177.584 0.115 0.000 1.198 216 A CA 2.094 54.191 52.037 0.101 0.000 0.629 216 A CB -0.655 18.394 19.000 0.082 0.000 0.830 216 A HN 0.295 nan 8.150 nan 0.000 0.446 217 A N -1.363 121.533 122.820 0.128 0.000 1.903 217 A HA -0.196 4.124 4.320 0.000 0.000 0.219 217 A C 2.095 179.702 177.584 0.039 0.000 1.191 217 A CA 1.954 54.025 52.037 0.056 0.000 0.638 217 A CB -1.023 17.978 19.000 0.001 0.000 0.823 217 A HN 0.631 nan 8.150 nan 0.000 0.451 218 Y N -0.206 120.089 120.300 -0.009 0.000 2.165 218 Y HA -0.210 4.340 4.550 0.000 0.000 0.286 218 Y C 2.701 178.600 175.900 -0.002 0.000 1.155 218 Y CA 1.916 60.011 58.100 -0.008 0.000 1.164 218 Y CB -0.311 38.144 38.460 -0.008 0.000 0.978 218 Y HN 0.262 nan 8.280 nan 0.000 0.513 219 R N -0.292 120.308 120.500 0.168 0.000 2.092 219 R HA -0.100 4.241 4.340 0.000 0.000 0.231 219 R C 2.164 178.497 176.300 0.056 0.000 1.119 219 R CA 1.633 57.790 56.100 0.095 0.000 0.970 219 R CB -0.481 29.864 30.300 0.075 0.000 0.864 219 R HN 0.363 nan 8.270 nan 0.000 0.440 220 I N 0.782 121.376 120.570 0.040 0.000 2.252 220 I HA -0.253 3.917 4.170 0.000 0.000 0.245 220 I C 2.198 178.310 176.117 -0.008 0.000 1.102 220 I CA 0.999 62.303 61.300 0.006 0.000 1.385 220 I CB -0.235 37.755 38.000 -0.015 0.000 1.064 220 I HN 0.094 nan 8.210 nan 0.000 0.414 221 I N 0.738 121.297 120.570 -0.019 0.000 2.226 221 I HA -0.265 3.905 4.170 0.000 0.000 0.245 221 I C 2.588 178.704 176.117 -0.002 0.000 1.100 221 I CA 1.540 62.823 61.300 -0.028 0.000 1.374 221 I CB -1.197 36.757 38.000 -0.077 0.000 1.057 221 I HN 0.291 nan 8.210 nan 0.000 0.413 222 E N 1.438 121.649 120.200 0.018 0.000 2.097 222 E HA -0.190 4.160 4.350 0.000 0.000 0.196 222 E C 1.944 178.559 176.600 0.025 0.000 1.000 222 E CA 1.947 58.364 56.400 0.030 0.000 0.804 222 E CB -0.451 29.280 29.700 0.052 0.000 0.740 222 E HN 0.416 nan 8.360 nan 0.000 0.454 223 G N -1.110 107.706 108.800 0.025 0.000 3.324 223 G HA2 0.055 4.015 3.960 0.000 0.000 0.251 223 G HA3 0.055 4.015 3.960 0.000 0.000 0.251 223 G C 1.137 176.053 174.900 0.026 0.000 1.072 223 G CA 0.193 45.309 45.100 0.026 0.000 0.787 223 G HN 0.205 nan 8.290 nan 0.000 0.537 224 K N -1.089 119.324 120.400 0.022 0.000 2.548 224 K HA 0.326 4.646 4.320 0.000 0.000 0.209 224 K C 1.586 178.209 176.600 0.038 0.000 1.420 224 K CA 1.050 57.354 56.287 0.029 0.000 0.985 224 K CB 0.440 32.945 32.500 0.008 0.000 1.249 224 K HN 0.285 nan 8.250 nan 0.000 0.557 225 G N 0.748 109.562 108.800 0.023 0.000 2.358 225 G HA2 -0.189 3.772 3.960 0.000 0.000 0.224 225 G HA3 -0.189 3.772 3.960 0.000 0.000 0.224 225 G C 0.086 175.002 174.900 0.027 0.000 1.073 225 G CA 0.137 45.252 45.100 0.025 0.000 0.635 225 G HN 0.770 nan 8.290 nan 0.000 0.509 226 A N -1.183 121.666 122.820 0.048 0.000 2.601 226 A HA 0.915 5.235 4.320 0.000 0.000 0.291 226 A C -0.269 177.316 177.584 0.002 0.000 1.075 226 A CA 0.806 52.880 52.037 0.062 0.000 0.671 226 A CB 0.802 19.885 19.000 0.139 0.000 1.277 226 A HN 1.871 nan 8.150 nan 0.000 0.417 227 T N -1.307 113.240 114.554 -0.012 0.000 2.823 227 T HA 0.687 5.037 4.350 0.000 0.000 0.279 227 T C -0.140 174.527 174.700 -0.055 0.000 0.998 227 T CA 0.276 62.286 62.100 -0.150 0.000 0.994 227 T CB 0.912 69.741 68.868 -0.066 0.000 0.960 227 T HN 1.654 nan 8.240 nan 0.000 0.448 228 Y N -0.705 119.528 120.300 -0.111 0.000 2.493 228 Y HA 0.287 4.837 4.550 0.000 0.000 0.295 228 Y C 1.293 177.162 175.900 -0.052 0.000 0.999 228 Y CA -0.795 57.234 58.100 -0.118 0.000 1.010 228 Y CB -0.397 37.941 38.460 -0.205 0.000 1.402 228 Y HN 0.477 nan 8.280 nan 0.000 0.586 229 Y N 2.355 122.561 120.300 -0.156 0.000 2.145 229 Y HA 0.059 4.610 4.550 0.000 0.000 0.286 229 Y C 2.655 178.563 175.900 0.014 0.000 1.145 229 Y CA 1.648 59.747 58.100 -0.001 0.000 1.148 229 Y CB -0.982 37.432 38.460 -0.076 0.000 0.981 229 Y HN 0.336 nan 8.280 nan 0.000 0.507 230 G N -0.254 108.629 108.800 0.137 0.000 2.433 230 G HA2 -0.268 3.692 3.960 0.000 0.000 0.216 230 G HA3 -0.268 3.692 3.960 0.000 0.000 0.216 230 G C 1.701 176.648 174.900 0.077 0.000 1.186 230 G CA 1.056 46.210 45.100 0.090 0.000 0.779 230 G HN 0.374 nan 8.290 nan 0.000 0.543 231 I N 1.921 122.534 120.570 0.071 0.000 2.567 231 I HA 0.052 4.222 4.170 0.000 0.000 0.257 231 I C 2.600 178.758 176.117 0.068 0.000 1.184 231 I CA 1.245 62.581 61.300 0.061 0.000 1.451 231 I CB -0.503 37.537 38.000 0.067 0.000 1.089 231 I HN 0.088 nan 8.210 nan 0.000 0.441 232 G N -0.081 108.783 108.800 0.107 0.000 2.402 232 G HA2 -0.206 3.754 3.960 0.000 0.000 0.216 232 G HA3 -0.206 3.754 3.960 0.000 0.000 0.216 232 G C 1.709 176.656 174.900 0.079 0.000 1.162 232 G CA 0.662 45.829 45.100 0.111 0.000 0.777 232 G HN 0.556 nan 8.290 nan 0.000 0.539 233 A N 0.722 123.591 122.820 0.080 0.000 1.898 233 A HA 0.273 4.593 4.320 0.000 0.000 0.214 233 A C 2.678 180.274 177.584 0.021 0.000 1.183 233 A CA 1.829 53.893 52.037 0.046 0.000 0.622 233 A CB -0.925 18.103 19.000 0.047 0.000 0.824 233 A HN 0.474 nan 8.150 nan 0.000 0.444 234 G N -0.165 108.649 108.800 0.022 0.000 2.418 234 G HA2 -0.142 3.818 3.960 0.000 0.000 0.217 234 G HA3 -0.142 3.818 3.960 0.000 0.000 0.217 234 G C 1.422 176.301 174.900 -0.035 0.000 1.158 234 G CA 1.183 46.283 45.100 -0.001 0.000 0.771 234 G HN 0.347 nan 8.290 nan 0.000 0.545 235 L N 1.297 122.508 121.223 -0.020 0.000 2.083 235 L HA 0.099 4.439 4.340 0.000 0.000 0.209 235 L C 3.160 180.000 176.870 -0.049 0.000 1.083 235 L CA 1.752 56.571 54.840 -0.036 0.000 0.752 235 L CB -0.752 41.302 42.059 -0.008 0.000 0.899 235 L HN 0.279 nan 8.230 nan 0.000 0.433 236 A N -1.172 121.631 122.820 -0.029 0.000 1.969 236 A HA -0.206 4.114 4.320 0.000 0.000 0.218 236 A C 2.412 179.963 177.584 -0.055 0.000 1.169 236 A CA 1.465 53.482 52.037 -0.033 0.000 0.635 236 A CB -0.426 18.566 19.000 -0.014 0.000 0.810 236 A HN 0.351 nan 8.150 nan 0.000 0.445 237 R N -0.651 119.812 120.500 -0.061 0.000 2.075 237 R HA -0.008 4.332 4.340 0.000 0.000 0.232 237 R C 1.707 177.900 176.300 -0.178 0.000 1.126 237 R CA 1.211 57.268 56.100 -0.073 0.000 0.963 237 R CB -0.726 29.557 30.300 -0.029 0.000 0.858 237 R HN 0.366 nan 8.270 nan 0.000 0.435 238 L N -0.356 120.719 121.223 -0.248 0.000 2.017 238 L HA -0.105 4.235 4.340 0.000 0.000 0.208 238 L C 2.275 179.024 176.870 -0.200 0.000 1.073 238 L CA 1.344 55.976 54.840 -0.347 0.000 0.745 238 L CB -0.801 41.093 42.059 -0.275 0.000 0.894 238 L HN 0.019 nan 8.230 nan 0.000 0.432 239 V N -0.484 119.355 119.914 -0.124 0.000 2.392 239 V HA -0.329 3.791 4.120 0.000 0.000 0.249 239 V C 2.743 178.796 176.094 -0.068 0.000 1.059 239 V CA 1.962 64.213 62.300 -0.080 0.000 1.051 239 V CB -0.643 31.146 31.823 -0.056 0.000 0.658 239 V HN 0.464 nan 8.190 nan 0.000 0.455 240 R N 0.211 120.670 120.500 -0.069 0.000 2.075 240 R HA -0.129 4.211 4.340 0.000 0.000 0.232 240 R C 2.269 178.551 176.300 -0.030 0.000 1.126 240 R CA 1.567 57.641 56.100 -0.043 0.000 0.963 240 R CB -0.447 29.834 30.300 -0.031 0.000 0.858 240 R HN 0.476 nan 8.270 nan 0.000 0.435 241 A N 0.746 123.535 122.820 -0.051 0.000 1.972 241 A HA -0.107 4.213 4.320 0.000 0.000 0.219 241 A C 2.075 179.652 177.584 -0.011 0.000 1.169 241 A CA 1.282 53.315 52.037 -0.007 0.000 0.635 241 A CB -0.392 18.583 19.000 -0.042 0.000 0.810 241 A HN 0.383 nan 8.150 nan 0.000 0.446 242 I N -0.755 119.789 120.570 -0.042 0.000 2.406 242 I HA -0.138 4.032 4.170 0.000 0.000 0.249 242 I C 2.206 178.314 176.117 -0.015 0.000 1.122 242 I CA 0.674 61.957 61.300 -0.028 0.000 1.431 242 I CB -0.211 37.764 38.000 -0.041 0.000 1.087 242 I HN 0.261 nan 8.210 nan 0.000 0.424 243 L N 0.401 121.613 121.223 -0.018 0.000 2.109 243 L HA -0.108 4.232 4.340 0.000 0.000 0.207 243 L C 2.319 179.187 176.870 -0.004 0.000 1.086 243 L CA 1.715 56.548 54.840 -0.011 0.000 0.760 243 L CB -0.675 41.374 42.059 -0.016 0.000 0.910 243 L HN 0.397 nan 8.230 nan 0.000 0.437 244 T N -5.038 109.516 114.554 -0.001 0.000 3.163 244 T HA 0.038 4.388 4.350 0.000 0.000 0.252 244 T C 0.602 175.310 174.700 0.013 0.000 1.056 244 T CA -0.012 62.092 62.100 0.006 0.000 0.947 244 T CB -0.138 68.735 68.868 0.009 0.000 1.016 244 T HN 0.227 nan 8.240 nan 0.000 0.554 245 D N 1.621 122.028 120.400 0.013 0.000 2.686 245 D HA -0.221 4.419 4.640 0.000 0.000 0.235 245 D C 0.786 177.104 176.300 0.029 0.000 1.160 245 D CA 0.989 55.000 54.000 0.018 0.000 0.645 245 D CB -1.282 39.527 40.800 0.014 0.000 1.039 245 D HN 0.759 nan 8.370 nan 0.000 0.423 246 E N 0.704 120.930 120.200 0.043 0.000 2.085 246 E HA -0.272 4.078 4.350 0.000 0.000 0.194 246 E C 1.132 177.768 176.600 0.061 0.000 0.994 246 E CA 1.528 57.964 56.400 0.059 0.000 0.801 246 E CB 0.042 29.802 29.700 0.099 0.000 0.743 246 E HN 0.349 nan 8.360 nan 0.000 0.453 247 K N -1.316 119.127 120.400 0.072 0.000 3.391 247 K HA -0.138 4.182 4.320 0.000 0.000 0.307 247 K C -0.066 176.571 176.600 0.062 0.000 1.304 247 K CA 0.563 56.886 56.287 0.060 0.000 0.904 247 K CB -1.674 30.847 32.500 0.034 0.000 1.293 247 K HN 0.382 nan 8.250 nan 0.000 0.470 248 G N -0.597 108.269 108.800 0.110 0.000 2.616 248 G HA2 0.468 4.428 3.960 0.000 0.000 0.268 248 G HA3 0.468 4.428 3.960 0.000 0.000 0.268 248 G C -0.536 174.345 174.900 -0.032 0.000 1.213 248 G CA -0.454 44.654 45.100 0.013 0.000 0.926 248 G HN 0.076 nan 8.290 nan 0.000 0.523 249 V N 0.817 120.566 119.914 -0.275 0.000 2.350 249 V HA 0.429 4.549 4.120 0.000 0.000 0.276 249 V C -1.081 174.743 176.094 -0.451 0.000 1.028 249 V CA -0.309 61.864 62.300 -0.211 0.000 0.860 249 V CB 0.105 31.874 31.823 -0.089 0.000 0.990 249 V HN 0.551 nan 8.190 nan 0.000 0.453 250 Y N 1.306 121.601 120.300 -0.008 0.000 2.492 250 Y HA 0.429 4.979 4.550 0.000 0.000 0.346 250 Y C 0.746 176.611 175.900 -0.059 0.000 0.997 250 Y CA -1.147 56.945 58.100 -0.013 0.000 1.025 250 Y CB 2.082 40.530 38.460 -0.021 0.000 1.263 250 Y HN 0.603 nan 8.280 nan 0.000 0.454 251 T N 0.461 115.072 114.554 0.095 0.000 3.781 251 T HA 0.475 4.825 4.350 0.000 0.000 0.286 251 T C -0.192 174.504 174.700 -0.007 0.000 1.277 251 T CA -0.505 61.582 62.100 -0.022 0.000 1.136 251 T CB -1.531 67.324 68.868 -0.022 0.000 1.202 251 T HN 0.500 nan 8.240 nan 0.000 0.884 252 V N -0.197 119.711 119.914 -0.010 0.000 2.881 252 V HA 0.788 4.908 4.120 0.000 0.000 0.316 252 V C 0.323 176.392 176.094 -0.042 0.000 1.070 252 V CA -1.171 61.114 62.300 -0.024 0.000 0.976 252 V CB 1.653 33.465 31.823 -0.017 0.000 1.038 252 V HN 0.557 nan 8.190 nan 0.000 0.446 253 S N 1.217 116.898 115.700 -0.032 0.000 2.565 253 S HA 0.820 5.290 4.470 0.000 0.000 0.274 253 S C -0.113 174.475 174.600 -0.019 0.000 1.309 253 S CA 0.370 58.555 58.200 -0.025 0.000 1.043 253 S CB 0.489 63.688 63.200 -0.002 0.000 0.939 253 S HN 1.979 nan 8.310 nan 0.000 0.504 254 A N 3.237 126.039 122.820 -0.030 0.000 2.597 254 A HA 0.559 4.879 4.320 0.000 0.000 0.292 254 A C -1.187 176.376 177.584 -0.035 0.000 1.057 254 A CA -0.816 51.210 52.037 -0.019 0.000 0.674 254 A CB 0.358 19.337 19.000 -0.034 0.000 1.278 254 A HN 0.823 nan 8.150 nan 0.000 0.416 255 F N 1.997 121.817 119.950 -0.216 0.000 2.571 255 F HA 0.445 4.972 4.527 0.000 0.000 0.384 255 F C 0.362 176.025 175.800 -0.228 0.000 1.058 255 F CA 1.210 59.032 58.000 -0.297 0.000 1.200 255 F CB 0.591 39.165 39.000 -0.711 0.000 1.077 255 F HN 0.427 nan 8.300 nan 0.000 0.558 256 T N 8.734 122.884 114.554 -0.672 0.000 2.786 256 T HA 0.239 4.589 4.350 0.000 0.000 0.283 256 T C -1.842 172.520 174.700 -0.563 0.000 0.992 256 T CA -1.120 60.716 62.100 -0.440 0.000 0.954 256 T CB 1.767 70.483 68.868 -0.253 0.000 0.934 256 T HN 0.322 nan 8.240 nan 0.000 0.440 257 P HA -0.108 nan 4.420 nan 0.000 0.216 257 P C 0.389 177.598 177.300 -0.151 0.000 1.157 257 P CA 1.268 64.260 63.100 -0.180 0.000 0.880 257 P CB 0.392 32.074 31.700 -0.031 0.000 0.791 258 E N -1.316 118.818 120.200 -0.110 0.000 2.372 258 E HA 0.442 4.793 4.350 0.000 0.000 0.279 258 E C -2.056 174.516 176.600 -0.047 0.000 0.946 258 E CA -0.889 55.467 56.400 -0.073 0.000 0.769 258 E CB 2.360 32.038 29.700 -0.038 0.000 1.230 258 E HN -0.212 nan 8.360 nan 0.000 0.442 259 V N 3.494 123.383 119.914 -0.041 0.000 2.697 259 V HA 0.275 4.395 4.120 0.000 0.000 0.296 259 V C -0.413 175.676 176.094 -0.008 0.000 1.140 259 V CA 0.000 62.293 62.300 -0.012 0.000 0.921 259 V CB 1.487 33.293 31.823 -0.029 0.000 1.036 259 V HN 0.902 nan 8.190 nan 0.000 0.438 260 E N 4.379 124.581 120.200 0.004 0.000 2.670 260 E HA -0.213 4.137 4.350 0.000 0.000 0.257 260 E C 1.066 177.667 176.600 0.000 0.000 1.186 260 E CA 2.264 58.667 56.400 0.005 0.000 0.734 260 E CB -1.194 28.514 29.700 0.012 0.000 1.325 260 E HN 2.103 nan 8.360 nan 0.000 0.426 261 G N -2.717 106.080 108.800 -0.005 0.000 2.612 261 G HA2 -0.229 3.731 3.960 0.000 0.000 0.200 261 G HA3 -0.229 3.731 3.960 0.000 0.000 0.200 261 G C 0.282 175.182 174.900 -0.000 0.000 1.053 261 G CA 0.162 45.262 45.100 -0.001 0.000 0.707 261 G HN 1.155 nan 8.290 nan 0.000 0.497 262 V N 1.026 120.935 119.914 -0.008 0.000 2.732 262 V HA 0.822 4.942 4.120 0.000 0.000 0.297 262 V C 0.610 176.679 176.094 -0.041 0.000 1.060 262 V CA -0.866 61.427 62.300 -0.012 0.000 1.038 262 V CB 1.431 33.244 31.823 -0.018 0.000 1.003 262 V HN 0.463 nan 8.190 nan 0.000 0.481 263 L N 2.467 123.668 121.223 -0.036 0.000 2.352 263 L HA 0.526 4.866 4.340 0.000 0.000 0.269 263 L C 0.622 177.410 176.870 -0.137 0.000 1.034 263 L CA -0.794 54.008 54.840 -0.064 0.000 0.806 263 L CB 1.019 43.078 42.059 -0.001 0.000 1.244 263 L HN 0.856 nan 8.230 nan 0.000 0.447 264 E N 0.414 120.486 120.200 -0.213 0.000 2.216 264 E HA -0.208 4.142 4.350 0.000 0.000 0.162 264 E C -0.854 175.482 176.600 -0.441 0.000 1.642 264 E CA 0.194 56.356 56.400 -0.397 0.000 0.599 264 E CB -0.719 29.036 29.700 0.092 0.000 1.045 264 E HN 0.293 nan 8.360 nan 0.000 0.308 265 V N 0.655 120.217 119.914 -0.588 0.000 3.159 265 V HA 0.523 4.644 4.120 0.000 0.000 0.308 265 V C -0.939 174.950 176.094 -0.342 0.000 1.190 265 V CA -0.527 61.575 62.300 -0.329 0.000 1.037 265 V CB 2.869 34.576 31.823 -0.194 0.000 1.060 265 V HN 0.272 nan 8.190 nan 0.000 0.437 266 S N 5.284 120.900 115.700 -0.140 0.000 2.478 266 S HA 0.837 5.308 4.470 0.000 0.000 0.312 266 S C -0.664 173.901 174.600 -0.059 0.000 1.094 266 S CA -0.481 57.669 58.200 -0.084 0.000 1.081 266 S CB 0.989 64.205 63.200 0.026 0.000 1.007 266 S HN 0.952 nan 8.310 nan 0.000 0.475 267 L N -0.156 121.025 121.223 -0.069 0.000 2.801 267 L HA 0.749 5.090 4.340 0.000 0.000 0.264 267 L C -0.994 175.842 176.870 -0.057 0.000 1.086 267 L CA -0.981 53.831 54.840 -0.046 0.000 0.920 267 L CB 1.441 43.472 42.059 -0.047 0.000 1.529 267 L HN 0.387 nan 8.230 nan 0.000 0.399 268 S N 0.978 116.648 115.700 -0.049 0.000 2.525 268 S HA 0.836 5.306 4.470 0.000 0.000 0.278 268 S C -0.422 174.112 174.600 -0.110 0.000 1.234 268 S CA -0.429 57.728 58.200 -0.071 0.000 1.058 268 S CB 0.767 63.933 63.200 -0.057 0.000 0.983 268 S HN 0.427 nan 8.310 nan 0.000 0.495 269 L N 2.833 123.963 121.223 -0.155 0.000 2.540 269 L HA 0.462 4.802 4.340 0.000 0.000 0.256 269 L C -2.811 173.884 176.870 -0.292 0.000 1.001 269 L CA -2.622 52.074 54.840 -0.240 0.000 0.843 269 L CB 2.353 44.257 42.059 -0.259 0.000 1.436 269 L HN 0.339 nan 8.230 nan 0.000 0.410 270 P HA 0.240 nan 4.420 nan 0.000 0.267 270 P C -1.321 175.823 177.300 -0.260 0.000 1.209 270 P CA 0.064 62.909 63.100 -0.426 0.000 0.763 270 P CB 0.473 31.773 31.700 -0.666 0.000 0.816 271 R N 2.861 123.281 120.500 -0.134 0.000 2.698 271 R HA 0.519 4.859 4.340 0.000 0.000 0.275 271 R C -0.522 175.777 176.300 -0.001 0.000 1.001 271 R CA -0.990 55.059 56.100 -0.084 0.000 0.896 271 R CB 1.943 32.200 30.300 -0.070 0.000 1.218 271 R HN 0.401 nan 8.270 nan 0.000 0.462 272 I N 3.204 123.772 120.570 -0.003 0.000 2.337 272 I HA 0.135 4.306 4.170 0.000 0.000 0.291 272 I C -0.498 175.657 176.117 0.063 0.000 1.046 272 I CA -0.494 60.827 61.300 0.035 0.000 1.324 272 I CB 0.771 38.779 38.000 0.013 0.000 1.409 272 I HN 0.213 nan 8.210 nan 0.000 0.494 273 L N 7.369 128.669 121.223 0.127 0.000 2.287 273 L HA 0.785 5.125 4.340 0.000 0.000 0.287 273 L C 0.112 177.025 176.870 0.071 0.000 1.022 273 L CA 0.352 55.248 54.840 0.093 0.000 0.814 273 L CB 1.149 43.264 42.059 0.094 0.000 1.217 273 L HN 0.630 nan 8.230 nan 0.000 0.420 274 G N 2.359 111.179 108.800 0.035 0.000 3.243 274 G HA2 0.542 4.502 3.960 0.000 0.000 0.248 274 G HA3 0.542 4.502 3.960 0.000 0.000 0.248 274 G C 0.309 175.215 174.900 0.010 0.000 1.267 274 G CA -0.087 45.029 45.100 0.026 0.000 0.906 274 G HN 0.760 nan 8.290 nan 0.000 0.592 275 A N -1.101 121.724 122.820 0.009 0.000 2.070 275 A HA 0.229 4.549 4.320 0.000 0.000 0.220 275 A C 2.046 179.631 177.584 0.003 0.000 1.159 275 A CA 2.232 54.272 52.037 0.004 0.000 0.656 275 A CB -0.484 18.519 19.000 0.006 0.000 0.800 275 A HN 1.326 nan 8.150 nan 0.000 0.453 276 G N -2.183 106.620 108.800 0.006 0.000 3.393 276 G HA2 0.493 4.453 3.960 0.000 0.000 0.255 276 G HA3 0.493 4.453 3.960 0.000 0.000 0.255 276 G C 0.787 175.692 174.900 0.007 0.000 1.097 276 G CA 0.553 45.657 45.100 0.007 0.000 0.780 276 G HN 1.530 nan 8.290 nan 0.000 0.540 277 G N -0.620 108.182 108.800 0.003 0.000 2.482 277 G HA2 -0.091 3.869 3.960 0.000 0.000 0.214 277 G HA3 -0.091 3.869 3.960 0.000 0.000 0.214 277 G C -0.232 174.671 174.900 0.005 0.000 1.271 277 G CA -0.404 44.696 45.100 0.000 0.000 0.944 277 G HN 0.712 nan 8.290 nan 0.000 0.568 278 V N 1.367 121.282 119.914 0.002 0.000 2.540 278 V HA 0.327 4.447 4.120 0.000 0.000 0.297 278 V C 1.456 177.552 176.094 0.003 0.000 1.024 278 V CA 1.945 64.245 62.300 0.000 0.000 1.105 278 V CB 1.379 33.194 31.823 -0.014 0.000 0.938 278 V HN 0.838 nan 8.190 nan 0.000 0.482 279 E N 2.576 122.779 120.200 0.006 0.000 2.539 279 E HA 0.383 4.733 4.350 0.000 0.000 0.215 279 E C 0.515 177.118 176.600 0.004 0.000 0.965 279 E CA 0.535 56.940 56.400 0.009 0.000 1.019 279 E CB 0.915 30.625 29.700 0.015 0.000 1.059 279 E HN 0.908 nan 8.360 nan 0.000 0.496 280 G N -0.449 108.344 108.800 -0.012 0.000 2.387 280 G HA2 0.262 4.222 3.960 0.000 0.000 0.294 280 G HA3 0.262 4.222 3.960 0.000 0.000 0.294 280 G C -1.071 173.783 174.900 -0.077 0.000 1.509 280 G CA -0.669 44.418 45.100 -0.022 0.000 0.806 280 G HN -0.056 nan 8.290 nan 0.000 0.546 281 T N -0.107 114.371 114.554 -0.127 0.000 2.885 281 T HA 0.606 4.956 4.350 0.000 0.000 0.285 281 T C -0.506 173.984 174.700 -0.350 0.000 1.019 281 T CA -0.453 61.449 62.100 -0.329 0.000 1.010 281 T CB 1.934 70.453 68.868 -0.582 0.000 1.022 281 T HN 0.636 nan 8.240 nan 0.000 0.466 282 V N 3.830 123.513 119.914 -0.384 0.000 2.289 282 V HA 0.273 4.393 4.120 0.000 0.000 0.272 282 V C -1.151 174.799 176.094 -0.240 0.000 1.026 282 V CA -0.989 61.195 62.300 -0.194 0.000 0.807 282 V CB -0.329 31.444 31.823 -0.084 0.000 1.044 282 V HN 0.798 nan 8.190 nan 0.000 0.443 283 Y N 6.122 126.400 120.300 -0.037 0.000 2.531 283 Y HA 0.407 4.957 4.550 0.000 0.000 0.347 283 Y C -1.073 174.829 175.900 0.003 0.000 1.024 283 Y CA -2.374 55.705 58.100 -0.035 0.000 1.306 283 Y CB -0.159 38.287 38.460 -0.024 0.000 1.149 283 Y HN 0.441 nan 8.280 nan 0.000 0.527 284 P HA 0.153 nan 4.420 nan 0.000 0.278 284 P C -0.519 176.871 177.300 0.150 0.000 1.266 284 P CA -0.735 62.466 63.100 0.168 0.000 0.807 284 P CB 1.449 33.289 31.700 0.234 0.000 1.094 285 S N 0.602 116.388 115.700 0.143 0.000 2.481 285 S HA 0.319 4.789 4.470 0.000 0.000 0.276 285 S C -0.191 174.479 174.600 0.117 0.000 1.247 285 S CA -0.551 57.715 58.200 0.111 0.000 1.053 285 S CB -0.785 62.471 63.200 0.093 0.000 0.925 285 S HN 0.220 nan 8.310 nan 0.000 0.491 286 L N 4.422 125.703 121.223 0.097 0.000 2.334 286 L HA 0.551 4.891 4.340 0.000 0.000 0.273 286 L C 0.836 177.755 176.870 0.081 0.000 1.013 286 L CA -0.378 54.520 54.840 0.096 0.000 0.816 286 L CB 1.484 43.593 42.059 0.084 0.000 1.278 286 L HN 0.869 nan 8.230 nan 0.000 0.431 287 S N 1.948 117.700 115.700 0.088 0.000 2.655 287 S HA 0.463 4.933 4.470 0.000 0.000 0.265 287 S C -1.933 172.702 174.600 0.058 0.000 1.240 287 S CA -0.971 57.272 58.200 0.073 0.000 0.986 287 S CB 1.119 64.368 63.200 0.082 0.000 0.985 287 S HN 0.468 nan 8.310 nan 0.000 0.562 288 P HA -0.102 nan 4.420 nan 0.000 0.215 288 P C 1.125 178.448 177.300 0.037 0.000 1.157 288 P CA 1.394 64.516 63.100 0.035 0.000 0.874 288 P CB -0.027 31.690 31.700 0.028 0.000 0.790 289 E N -0.057 120.168 120.200 0.041 0.000 2.023 289 E HA -0.202 4.148 4.350 0.000 0.000 0.196 289 E C 1.960 178.591 176.600 0.051 0.000 1.003 289 E CA 1.419 57.844 56.400 0.042 0.000 0.809 289 E CB -1.022 28.704 29.700 0.043 0.000 0.755 289 E HN 0.414 nan 8.360 nan 0.000 0.449 290 E N 0.379 120.621 120.200 0.070 0.000 2.130 290 E HA -0.197 4.153 4.350 0.000 0.000 0.196 290 E C 2.112 178.747 176.600 0.057 0.000 0.998 290 E CA 0.922 57.368 56.400 0.077 0.000 0.806 290 E CB -0.157 29.605 29.700 0.103 0.000 0.738 290 E HN 0.154 nan 8.360 nan 0.000 0.459 291 R N 0.722 121.252 120.500 0.051 0.000 2.115 291 R HA -0.073 4.267 4.340 0.000 0.000 0.230 291 R C 2.122 178.441 176.300 0.032 0.000 1.111 291 R CA 0.650 56.774 56.100 0.040 0.000 0.976 291 R CB -0.115 30.207 30.300 0.036 0.000 0.870 291 R HN 0.239 nan 8.270 nan 0.000 0.445 292 E N 1.047 121.266 120.200 0.031 0.000 2.001 292 E HA -0.154 4.196 4.350 0.000 0.000 0.195 292 E C 2.086 178.700 176.600 0.024 0.000 1.002 292 E CA 1.330 57.745 56.400 0.025 0.000 0.819 292 E CB -0.279 29.435 29.700 0.024 0.000 0.769 292 E HN 0.224 nan 8.360 nan 0.000 0.454 293 A N 1.688 124.525 122.820 0.028 0.000 1.896 293 A HA -0.249 4.072 4.320 0.000 0.000 0.220 293 A C 2.288 179.886 177.584 0.023 0.000 1.206 293 A CA 2.075 54.128 52.037 0.026 0.000 0.647 293 A CB -1.000 18.019 19.000 0.033 0.000 0.828 293 A HN 0.293 nan 8.150 nan 0.000 0.455 294 L N -0.350 120.888 121.223 0.025 0.000 2.081 294 L HA -0.178 4.162 4.340 0.000 0.000 0.212 294 L C 2.449 179.327 176.870 0.012 0.000 1.080 294 L CA 2.521 57.371 54.840 0.018 0.000 0.754 294 L CB -0.567 41.505 42.059 0.022 0.000 0.893 294 L HN 0.488 nan 8.230 nan 0.000 0.433 295 R N -0.795 119.714 120.500 0.015 0.000 2.075 295 R HA -0.088 4.252 4.340 0.000 0.000 0.226 295 R C 2.389 178.697 176.300 0.013 0.000 1.114 295 R CA 0.657 56.764 56.100 0.012 0.000 0.972 295 R CB -0.354 29.954 30.300 0.014 0.000 0.869 295 R HN 0.263 nan 8.270 nan 0.000 0.437 296 R N 0.635 121.144 120.500 0.016 0.000 2.073 296 R HA -0.063 4.277 4.340 0.000 0.000 0.234 296 R C 2.184 178.494 176.300 0.017 0.000 1.134 296 R CA 1.812 57.923 56.100 0.018 0.000 0.952 296 R CB -0.920 29.391 30.300 0.018 0.000 0.850 296 R HN 0.212 nan 8.270 nan 0.000 0.433 297 S N -0.030 115.679 115.700 0.015 0.000 2.382 297 S HA -0.096 4.374 4.470 0.000 0.000 0.228 297 S C 1.927 176.532 174.600 0.008 0.000 1.027 297 S CA 1.307 59.515 58.200 0.013 0.000 0.991 297 S CB -0.177 63.031 63.200 0.013 0.000 0.823 297 S HN 0.467 nan 8.310 nan 0.000 0.469 298 A N 0.838 123.659 122.820 0.002 0.000 1.902 298 A HA -0.068 4.252 4.320 0.000 0.000 0.217 298 A C 2.020 179.602 177.584 -0.003 0.000 1.181 298 A CA 1.606 53.637 52.037 -0.010 0.000 0.623 298 A CB -0.648 18.342 19.000 -0.016 0.000 0.818 298 A HN 0.683 nan 8.150 nan 0.000 0.443 299 E N -0.411 119.796 120.200 0.013 0.000 2.107 299 E HA -0.079 4.271 4.350 0.000 0.000 0.191 299 E C 1.852 178.475 176.600 0.038 0.000 0.982 299 E CA 0.772 57.191 56.400 0.031 0.000 0.809 299 E CB -0.228 29.495 29.700 0.039 0.000 0.756 299 E HN 0.686 nan 8.360 nan 0.000 0.459 300 I N 1.067 121.655 120.570 0.029 0.000 2.151 300 I HA -0.340 3.830 4.170 0.000 0.000 0.243 300 I C 2.299 178.435 176.117 0.032 0.000 1.080 300 I CA 1.266 62.585 61.300 0.032 0.000 1.339 300 I CB -0.283 37.731 38.000 0.024 0.000 1.039 300 I HN 0.159 nan 8.210 nan 0.000 0.409 301 L N 0.183 121.416 121.223 0.017 0.000 2.056 301 L HA -0.198 4.142 4.340 0.000 0.000 0.207 301 L C 2.602 179.475 176.870 0.005 0.000 1.078 301 L CA 1.025 55.871 54.840 0.009 0.000 0.749 301 L CB -0.574 41.481 42.059 -0.006 0.000 0.901 301 L HN 0.164 nan 8.230 nan 0.000 0.433 302 K N 0.924 121.321 120.400 -0.005 0.000 2.009 302 K HA -0.259 4.061 4.320 0.000 0.000 0.210 302 K C 1.993 178.618 176.600 0.041 0.000 1.049 302 K CA 1.848 58.110 56.287 -0.041 0.000 0.929 302 K CB -0.224 32.265 32.500 -0.018 0.000 0.714 302 K HN 0.114 nan 8.250 nan 0.000 0.440 303 E N 0.192 120.474 120.200 0.137 0.000 2.058 303 E HA -0.124 4.227 4.350 0.000 0.000 0.194 303 E C 1.745 178.453 176.600 0.179 0.000 0.997 303 E CA 1.909 58.439 56.400 0.217 0.000 0.801 303 E CB -0.717 29.068 29.700 0.141 0.000 0.746 303 E HN 0.322 nan 8.360 nan 0.000 0.450 304 A N 0.929 123.813 122.820 0.107 0.000 1.908 304 A HA -0.103 4.217 4.320 0.000 0.000 0.218 304 A C 2.491 180.145 177.584 0.116 0.000 1.181 304 A CA 2.535 54.627 52.037 0.092 0.000 0.627 304 A CB -1.189 17.844 19.000 0.056 0.000 0.818 304 A HN 0.427 nan 8.150 nan 0.000 0.445 305 A N -1.192 121.684 122.820 0.093 0.000 1.877 305 A HA -0.020 4.300 4.320 0.000 0.000 0.216 305 A C 1.959 179.638 177.584 0.159 0.000 1.186 305 A CA 1.648 53.749 52.037 0.108 0.000 0.620 305 A CB -0.763 18.246 19.000 0.015 0.000 0.822 305 A HN 0.432 nan 8.150 nan 0.000 0.443 306 F N 0.307 120.316 119.950 0.098 0.000 2.095 306 F HA -0.169 4.358 4.527 0.000 0.000 0.298 306 F C 2.864 178.685 175.800 0.035 0.000 1.104 306 F CA 0.727 58.764 58.000 0.062 0.000 1.232 306 F CB -0.991 38.035 39.000 0.044 0.000 0.987 306 F HN 0.274 nan 8.300 nan 0.000 0.475 307 A N -0.091 122.881 122.820 0.254 0.000 1.903 307 A HA -0.211 4.109 4.320 0.000 0.000 0.219 307 A C 2.124 179.769 177.584 0.103 0.000 1.191 307 A CA 1.619 53.738 52.037 0.137 0.000 0.638 307 A CB -1.061 18.003 19.000 0.107 0.000 0.823 307 A HN 0.304 nan 8.150 nan 0.000 0.451 308 L N -1.253 120.053 121.223 0.138 0.000 2.551 308 L HA 0.037 4.378 4.340 0.000 0.000 0.228 308 L C 1.786 178.621 176.870 -0.058 0.000 1.153 308 L CA 1.545 56.471 54.840 0.144 0.000 0.851 308 L CB -1.579 40.686 42.059 0.343 0.000 0.959 308 L HN 0.776 nan 8.230 nan 0.000 0.451 309 G N -0.782 107.981 108.800 -0.061 0.000 2.136 309 G HA2 -0.293 3.667 3.960 0.000 0.000 0.242 309 G HA3 -0.293 3.667 3.960 0.000 0.000 0.242 309 G C 0.033 174.673 174.900 -0.433 0.000 0.989 309 G CA -0.012 44.946 45.100 -0.237 0.000 0.682 309 G HN 0.248 nan 8.290 nan 0.000 0.522 310 F N 0.000 119.998 119.950 0.080 0.000 2.286 310 F HA 0.000 4.527 4.527 0.000 0.000 0.279 310 F CA 0.000 58.028 58.000 0.046 0.000 1.383 310 F CB 0.000 39.025 39.000 0.042 0.000 1.145 310 F HN 0.000 nan 8.300 nan 0.000 0.574