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 3kr4_1_I DATA FIRST_RESID 86 DATA SEQUENCE SEVPQVVSLD PTSIPIEYNT PIHDIKVQVY DIKGGCNVEE GLTIFLVNNP DATA SEQUENCE GKENGPVKIS SKVNDKQVSE FLKDENMEKF NVKLGTSKHF YMFNDNKNSV DATA SEQUENCE AVGYVGCGSV ADLSEADMKR VVLSLVTMLH DNKLSKLTVV FEINVDKNLF DATA SEQUENCE RFFLETLFYE YMTDERFKST DKNVNMEYIK HLGVYINNAD TYKEEVEKAR DATA SEQUENCE VYYFGTYYAS QLIAAPSNYC NPVSLSNAAV ELAQKLNLEY KILGVKELEE DATA SEQUENCE LKMGAYLSVG KGSMYPNKFI HLTYKSKGDV KKKIALVGKG ITFDSGGYNL DATA SEQUENCE KAAPGSMIDL MKFDMSGCAA VLGCAYCVGT LKPENVEIHF LSAVCENMVS DATA SEQUENCE KNSYRPGDII TASNGKTIEV GNTDAEGRLT LADALVYAEK LGVDYIVDIA DATA SEQUENCE TLTGAMLYSL GTSYAGVFGN NEELINKILQ SSKTSNEPVW WLPIINEYRA DATA SEQUENCE TLNSKYADIN QISSSVKASS IVASLFLKEF VQNTAWAHID IAGVSWNFKA DATA SEQUENCE RKPKGFGVRL LTEFVLND 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 86 S HA 0.000 nan 4.470 nan 0.000 0.327 86 S C 0.000 174.638 174.600 0.064 0.000 1.055 86 S CA 0.000 58.242 58.200 0.070 0.000 1.107 86 S CB 0.000 63.240 63.200 0.067 0.000 0.593 87 E N 2.862 123.098 120.200 0.060 0.000 2.290 87 E HA 0.341 4.691 4.350 -0.000 0.000 0.277 87 E C -0.976 175.667 176.600 0.073 0.000 1.035 87 E CA -0.062 56.372 56.400 0.057 0.000 0.873 87 E CB 0.794 30.522 29.700 0.046 0.000 1.029 87 E HN 0.178 nan 8.360 nan 0.000 0.419 88 V N 8.232 128.191 119.914 0.076 0.000 2.455 88 V HA 0.164 4.284 4.120 -0.000 0.000 0.273 88 V C -1.695 174.468 176.094 0.115 0.000 1.045 88 V CA -1.260 61.108 62.300 0.112 0.000 0.976 88 V CB 0.580 32.455 31.823 0.086 0.000 0.993 88 V HN 0.737 nan 8.190 nan 0.000 0.475 89 P HA 0.283 nan 4.420 nan 0.000 0.274 89 P C -0.887 176.447 177.300 0.056 0.000 1.231 89 P CA -0.388 62.745 63.100 0.056 0.000 0.790 89 P CB 0.961 32.648 31.700 -0.021 0.000 0.951 90 Q N 0.116 119.917 119.800 0.002 0.000 2.423 90 Q HA 0.333 4.673 4.340 -0.000 0.000 0.278 90 Q C 0.543 176.519 176.000 -0.040 0.000 1.097 90 Q CA -0.963 54.837 55.803 -0.006 0.000 0.809 90 Q CB 2.425 31.160 28.738 -0.004 0.000 1.391 90 Q HN 0.054 nan 8.270 nan 0.000 0.428 91 V N 0.220 120.106 119.914 -0.046 0.000 2.575 91 V HA 0.045 4.165 4.120 -0.000 0.000 0.242 91 V C 0.576 176.648 176.094 -0.037 0.000 1.045 91 V CA 0.586 62.855 62.300 -0.052 0.000 1.065 91 V CB 0.724 32.511 31.823 -0.060 0.000 0.717 91 V HN 0.628 nan 8.190 nan 0.000 0.467 92 V N -2.151 117.743 119.914 -0.033 0.000 3.046 92 V HA 0.571 4.691 4.120 -0.000 0.000 0.316 92 V C 1.238 177.318 176.094 -0.023 0.000 1.104 92 V CA 0.110 62.395 62.300 -0.026 0.000 1.006 92 V CB 1.384 33.191 31.823 -0.026 0.000 1.058 92 V HN 0.250 nan 8.190 nan 0.000 0.440 93 S N 1.257 116.947 115.700 -0.017 0.000 2.469 93 S HA -0.050 4.420 4.470 -0.000 0.000 0.238 93 S C 1.312 175.902 174.600 -0.017 0.000 0.998 93 S CA 1.482 59.674 58.200 -0.014 0.000 0.957 93 S CB -0.794 62.401 63.200 -0.008 0.000 0.764 93 S HN 0.742 nan 8.310 nan 0.000 0.514 94 L N 0.778 121.987 121.223 -0.023 0.000 2.509 94 L HA 0.210 4.550 4.340 -0.000 0.000 0.222 94 L C 0.088 176.924 176.870 -0.057 0.000 1.123 94 L CA -0.044 54.779 54.840 -0.028 0.000 0.856 94 L CB -0.437 41.611 42.059 -0.019 0.000 0.985 94 L HN 0.171 nan 8.230 nan 0.000 0.456 95 D N 2.257 122.619 120.400 -0.064 0.000 2.425 95 D HA 0.123 4.763 4.640 -0.000 0.000 0.247 95 D C -2.013 174.211 176.300 -0.127 0.000 1.147 95 D CA -1.001 52.938 54.000 -0.101 0.000 0.879 95 D CB 0.817 41.584 40.800 -0.055 0.000 1.179 95 D HN -0.001 nan 8.370 nan 0.000 0.456 96 P HA 0.091 nan 4.420 nan 0.000 0.274 96 P C 0.412 177.643 177.300 -0.116 0.000 1.237 96 P CA -0.211 62.745 63.100 -0.239 0.000 0.793 96 P CB 0.660 31.984 31.700 -0.627 0.000 0.977 97 T N -3.662 110.873 114.554 -0.032 0.000 3.091 97 T HA 0.298 4.648 4.350 -0.000 0.000 0.277 97 T C 0.354 175.074 174.700 0.034 0.000 0.996 97 T CA -0.181 61.925 62.100 0.009 0.000 0.897 97 T CB -0.464 68.417 68.868 0.021 0.000 1.109 97 T HN 0.575 nan 8.240 nan 0.000 0.534 98 S N 0.431 116.167 115.700 0.060 0.000 2.570 98 S HA 0.688 5.158 4.470 -0.000 0.000 0.270 98 S C -1.064 173.634 174.600 0.164 0.000 1.149 98 S CA -1.142 57.110 58.200 0.087 0.000 0.837 98 S CB 0.925 64.171 63.200 0.077 0.000 1.124 98 S HN 0.289 nan 8.310 nan 0.000 0.465 99 I N 2.882 123.530 120.570 0.131 0.000 2.416 99 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 99 I C -1.980 174.170 176.117 0.054 0.000 1.051 99 I CA -1.978 59.408 61.300 0.144 0.000 1.375 99 I CB 0.902 38.930 38.000 0.047 0.000 1.407 99 I HN 0.500 nan 8.210 nan 0.000 0.516 100 P HA 0.294 nan 4.420 nan 0.000 0.271 100 P C -0.739 176.444 177.300 -0.195 0.000 1.220 100 P CA 0.172 63.195 63.100 -0.129 0.000 0.768 100 P CB 0.914 32.438 31.700 -0.294 0.000 0.848 101 I N 1.734 122.196 120.570 -0.181 0.000 2.499 101 I HA 0.265 4.435 4.170 -0.000 0.000 0.288 101 I C 0.295 176.231 176.117 -0.301 0.000 1.048 101 I CA -0.740 60.378 61.300 -0.302 0.000 1.062 101 I CB 2.635 40.397 38.000 -0.396 0.000 1.238 101 I HN 0.303 nan 8.210 nan 0.000 0.426 102 E N 5.106 125.168 120.200 -0.231 0.000 2.134 102 E HA 0.290 4.640 4.350 -0.000 0.000 0.278 102 E C -0.760 175.830 176.600 -0.017 0.000 0.959 102 E CA -0.194 56.160 56.400 -0.076 0.000 0.783 102 E CB 1.008 30.726 29.700 0.030 0.000 1.095 102 E HN 0.527 nan 8.360 nan 0.000 0.399 103 Y N 2.703 123.050 120.300 0.080 0.000 2.422 103 Y HA 0.120 4.670 4.550 -0.000 0.000 0.291 103 Y C 0.517 176.175 175.900 -0.404 0.000 1.144 103 Y CA -0.063 57.954 58.100 -0.139 0.000 1.208 103 Y CB 0.401 38.737 38.460 -0.206 0.000 1.195 103 Y HN 0.451 nan 8.280 nan 0.000 0.535 104 N N 1.298 119.945 118.700 -0.089 0.000 2.663 104 N HA 0.116 4.856 4.740 -0.000 0.000 0.250 104 N C -0.440 175.051 175.510 -0.032 0.000 1.129 104 N CA -0.196 52.748 53.050 -0.177 0.000 0.995 104 N CB 0.470 38.882 38.487 -0.125 0.000 1.324 104 N HN 0.149 nan 8.380 nan 0.000 0.512 105 T N -1.288 113.345 114.554 0.133 0.000 2.874 105 T HA 0.276 4.626 4.350 -0.000 0.000 0.281 105 T C -1.635 173.003 174.700 -0.103 0.000 0.994 105 T CA -1.866 60.272 62.100 0.064 0.000 1.015 105 T CB 1.432 70.395 68.868 0.159 0.000 1.028 105 T HN 0.023 nan 8.240 nan 0.000 0.523 106 P HA -0.038 nan 4.420 nan 0.000 0.219 106 P C 1.554 178.549 177.300 -0.508 0.000 1.146 106 P CA 0.517 63.281 63.100 -0.559 0.000 0.808 106 P CB -0.127 30.823 31.700 -1.251 0.000 0.779 107 I N -1.132 119.102 120.570 -0.561 0.000 2.361 107 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 107 I C 1.878 177.643 176.117 -0.587 0.000 1.133 107 I CA 1.674 62.581 61.300 -0.656 0.000 1.413 107 I CB -1.903 35.481 38.000 -1.027 0.000 1.073 107 I HN 0.151 nan 8.210 nan 0.000 0.424 108 H N 0.651 119.548 119.070 -0.288 0.000 2.521 108 H HA -0.066 4.490 4.556 -0.000 0.000 0.286 108 H C 1.267 176.474 175.328 -0.201 0.000 1.034 108 H CA 1.013 56.933 56.048 -0.213 0.000 1.278 108 H CB -0.058 29.616 29.762 -0.145 0.000 1.386 108 H HN 0.303 nan 8.280 nan 0.000 0.567 109 D N 0.259 120.585 120.400 -0.124 0.000 2.340 109 D HA 0.031 4.671 4.640 -0.000 0.000 0.220 109 D C 0.200 176.400 176.300 -0.166 0.000 1.039 109 D CA 0.266 54.190 54.000 -0.127 0.000 0.866 109 D CB 0.252 40.977 40.800 -0.126 0.000 0.913 109 D HN 0.391 nan 8.370 nan 0.000 0.523 110 I N 1.734 122.182 120.570 -0.203 0.000 2.436 110 I HA 0.010 4.180 4.170 -0.000 0.000 0.289 110 I C 0.700 176.737 176.117 -0.134 0.000 1.083 110 I CA -0.126 61.068 61.300 -0.177 0.000 1.372 110 I CB 0.521 38.421 38.000 -0.166 0.000 1.408 110 I HN -0.461 nan 8.210 nan 0.000 0.516 111 K N 5.833 126.153 120.400 -0.135 0.000 2.349 111 K HA 0.360 4.680 4.320 -0.000 0.000 0.288 111 K C -0.785 175.844 176.600 0.049 0.000 1.058 111 K CA -0.319 55.952 56.287 -0.027 0.000 0.953 111 K CB 1.212 33.732 32.500 0.033 0.000 0.997 111 K HN 0.348 nan 8.250 nan 0.000 0.477 112 V N 4.430 124.369 119.914 0.042 0.000 2.417 112 V HA 0.201 4.321 4.120 -0.000 0.000 0.291 112 V C -0.225 175.865 176.094 -0.007 0.000 1.024 112 V CA -0.826 61.510 62.300 0.059 0.000 0.861 112 V CB 1.474 33.361 31.823 0.105 0.000 0.985 112 V HN 0.665 nan 8.190 nan 0.000 0.436 113 Q N 3.303 123.056 119.800 -0.079 0.000 2.353 113 Q HA 0.646 4.986 4.340 -0.000 0.000 0.268 113 Q C -1.282 174.392 176.000 -0.543 0.000 1.045 113 Q CA -0.597 55.008 55.803 -0.329 0.000 0.811 113 Q CB 3.025 31.524 28.738 -0.398 0.000 1.305 113 Q HN 0.537 nan 8.270 nan 0.000 0.447 114 V N 3.152 122.704 119.914 -0.603 0.000 2.495 114 V HA 0.515 4.635 4.120 -0.000 0.000 0.298 114 V C -1.117 174.554 176.094 -0.705 0.000 1.031 114 V CA -0.686 61.311 62.300 -0.506 0.000 0.871 114 V CB 0.962 32.655 31.823 -0.215 0.000 0.988 114 V HN 0.616 nan 8.190 nan 0.000 0.432 115 Y N 0.843 120.953 120.300 -0.316 0.000 2.536 115 Y HA 0.436 4.986 4.550 -0.000 0.000 0.347 115 Y C 0.258 176.067 175.900 -0.151 0.000 1.000 115 Y CA -1.043 56.878 58.100 -0.298 0.000 1.051 115 Y CB 1.266 39.382 38.460 -0.575 0.000 1.259 115 Y HN 0.530 nan 8.280 nan 0.000 0.468 116 D N 1.947 122.421 120.400 0.124 0.000 2.390 116 D HA 0.018 4.658 4.640 -0.000 0.000 0.249 116 D C 0.858 177.298 176.300 0.233 0.000 1.144 116 D CA 0.424 54.500 54.000 0.126 0.000 0.880 116 D CB 1.160 42.012 40.800 0.087 0.000 1.182 116 D HN 0.761 nan 8.370 nan 0.000 0.451 117 I N 4.173 124.873 120.570 0.216 0.000 2.567 117 I HA -0.249 3.921 4.170 -0.000 0.000 0.257 117 I C 2.400 178.607 176.117 0.150 0.000 1.184 117 I CA 1.020 62.462 61.300 0.236 0.000 1.451 117 I CB 0.063 38.166 38.000 0.172 0.000 1.089 117 I HN 0.440 nan 8.210 nan 0.000 0.441 118 K N 0.081 120.549 120.400 0.114 0.000 2.439 118 K HA -0.016 4.304 4.320 -0.000 0.000 0.197 118 K C 1.692 178.338 176.600 0.077 0.000 1.041 118 K CA 1.252 57.587 56.287 0.079 0.000 0.970 118 K CB -0.466 32.070 32.500 0.059 0.000 0.773 118 K HN 0.345 nan 8.250 nan 0.000 0.479 119 G N 1.290 110.154 108.800 0.107 0.000 2.650 119 G HA2 0.239 4.199 3.960 -0.000 0.000 0.214 119 G HA3 0.239 4.199 3.960 -0.000 0.000 0.214 119 G C 0.545 175.490 174.900 0.075 0.000 1.136 119 G CA 0.193 45.348 45.100 0.093 0.000 0.789 119 G HN 0.691 nan 8.290 nan 0.000 0.536 120 G N -1.812 107.030 108.800 0.070 0.000 2.712 120 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.686 120 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.686 120 G C -0.321 174.513 174.900 -0.110 0.000 1.321 120 G CA -0.538 44.557 45.100 -0.009 0.000 0.813 120 G HN 0.675 nan 8.290 nan 0.000 0.599 121 C N 2.075 121.190 119.300 -0.307 0.000 2.307 121 C HA 0.559 5.019 4.460 -0.000 0.000 0.340 121 C C 0.450 175.261 174.990 -0.298 0.000 1.275 121 C CA -1.217 57.380 59.018 -0.702 0.000 1.811 121 C CB 0.194 27.483 27.740 -0.753 0.000 2.372 121 C HN 0.675 nan 8.230 nan 0.000 0.531 122 N N 1.673 120.267 118.700 -0.177 0.000 2.472 122 N HA 0.406 5.146 4.740 -0.000 0.000 0.277 122 N C -0.677 174.795 175.510 -0.063 0.000 1.081 122 N CA -0.164 52.843 53.050 -0.072 0.000 0.973 122 N CB 1.273 39.737 38.487 -0.038 0.000 1.105 122 N HN 0.449 nan 8.380 nan 0.000 0.470 123 V N 2.418 122.304 119.914 -0.047 0.000 2.305 123 V HA 0.254 4.374 4.120 -0.000 0.000 0.275 123 V C 0.668 176.741 176.094 -0.036 0.000 1.020 123 V CA -0.328 61.949 62.300 -0.037 0.000 0.811 123 V CB 0.945 32.755 31.823 -0.021 0.000 1.031 123 V HN 0.690 nan 8.190 nan 0.000 0.439 124 E N 2.997 123.177 120.200 -0.032 0.000 2.453 124 E HA 0.208 4.558 4.350 -0.000 0.000 0.211 124 E C 0.346 176.921 176.600 -0.042 0.000 0.897 124 E CA 0.145 56.524 56.400 -0.034 0.000 1.063 124 E CB 1.164 30.848 29.700 -0.027 0.000 1.080 124 E HN 0.916 nan 8.360 nan 0.000 0.512 125 E N -1.034 119.142 120.200 -0.040 0.000 2.422 125 E HA 0.446 4.796 4.350 -0.000 0.000 0.280 125 E C 0.304 176.889 176.600 -0.025 0.000 1.091 125 E CA -0.664 55.714 56.400 -0.037 0.000 0.849 125 E CB 0.845 30.529 29.700 -0.026 0.000 1.353 125 E HN 0.057 nan 8.360 nan 0.000 0.449 126 G N 0.135 108.927 108.800 -0.015 0.000 2.566 126 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.280 126 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.280 126 G C -0.869 174.023 174.900 -0.014 0.000 1.225 126 G CA 0.331 45.431 45.100 0.001 0.000 0.966 126 G HN 0.919 nan 8.290 nan 0.000 0.560 127 L N 0.267 121.482 121.223 -0.014 0.000 2.341 127 L HA 0.779 5.119 4.340 -0.000 0.000 0.278 127 L C 0.133 176.967 176.870 -0.060 0.000 1.005 127 L CA -0.117 54.701 54.840 -0.036 0.000 0.818 127 L CB 2.219 44.257 42.059 -0.037 0.000 1.259 127 L HN 0.751 nan 8.230 nan 0.000 0.418 128 T N 6.372 120.877 114.554 -0.082 0.000 2.791 128 T HA 0.591 4.941 4.350 -0.000 0.000 0.288 128 T C -0.516 174.073 174.700 -0.184 0.000 0.999 128 T CA -0.245 61.771 62.100 -0.140 0.000 0.952 128 T CB 0.706 69.490 68.868 -0.140 0.000 0.938 128 T HN 0.288 nan 8.240 nan 0.000 0.444 129 I N 3.920 124.342 120.570 -0.246 0.000 2.362 129 I HA 0.425 4.595 4.170 -0.000 0.000 0.289 129 I C -0.499 175.450 176.117 -0.280 0.000 0.994 129 I CA -1.154 60.024 61.300 -0.203 0.000 1.158 129 I CB 0.996 38.879 38.000 -0.195 0.000 1.315 129 I HN 0.547 nan 8.210 nan 0.000 0.451 130 F N 5.851 125.771 119.950 -0.051 0.000 2.404 130 F HA 0.387 4.914 4.527 -0.000 0.000 0.345 130 F C 0.470 176.238 175.800 -0.054 0.000 1.110 130 F CA -0.454 57.524 58.000 -0.036 0.000 1.130 130 F CB 0.889 39.904 39.000 0.026 0.000 1.129 130 F HN 0.139 nan 8.300 nan 0.000 0.500 131 L N 5.318 126.536 121.223 -0.007 0.000 2.255 131 L HA 0.574 4.914 4.340 -0.000 0.000 0.289 131 L C -0.528 176.351 176.870 0.016 0.000 1.046 131 L CA -0.865 53.922 54.840 -0.087 0.000 0.816 131 L CB 0.842 42.656 42.059 -0.408 0.000 1.197 131 L HN 0.454 nan 8.230 nan 0.000 0.427 132 V N 1.022 120.980 119.914 0.073 0.000 2.789 132 V HA 0.717 4.837 4.120 -0.000 0.000 0.311 132 V C -0.789 175.330 176.094 0.043 0.000 1.073 132 V CA -0.611 61.720 62.300 0.051 0.000 0.921 132 V CB 1.949 33.774 31.823 0.003 0.000 1.009 132 V HN 0.825 nan 8.190 nan 0.000 0.426 133 N N 2.218 120.935 118.700 0.029 0.000 3.091 133 N HA 0.573 5.313 4.740 -0.000 0.000 0.329 133 N C -1.216 174.303 175.510 0.015 0.000 1.430 133 N CA -0.806 52.263 53.050 0.032 0.000 0.755 133 N CB 1.524 40.037 38.487 0.043 0.000 1.626 133 N HN 0.704 nan 8.380 nan 0.000 0.614 134 N N -0.638 118.074 118.700 0.019 0.000 2.701 134 N HA 0.389 5.129 4.740 -0.000 0.000 0.258 134 N C -3.087 172.433 175.510 0.018 0.000 1.262 134 N CA -0.933 52.123 53.050 0.011 0.000 0.780 134 N CB 1.274 39.762 38.487 0.002 0.000 1.380 134 N HN 0.370 nan 8.380 nan 0.000 0.548 135 P HA 0.218 nan 4.420 nan 0.000 0.268 135 P C 0.943 178.255 177.300 0.019 0.000 1.204 135 P CA 0.762 63.876 63.100 0.023 0.000 0.768 135 P CB 0.716 32.431 31.700 0.024 0.000 0.842 136 G N 0.950 109.763 108.800 0.021 0.000 2.640 136 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.226 136 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.226 136 G C 0.511 175.422 174.900 0.017 0.000 1.222 136 G CA 0.371 45.481 45.100 0.018 0.000 0.729 136 G HN 0.864 nan 8.290 nan 0.000 0.516 137 K N 1.255 121.664 120.400 0.015 0.000 2.219 137 K HA 0.755 5.075 4.320 -0.000 0.000 0.280 137 K C 0.273 176.885 176.600 0.020 0.000 1.104 137 K CA 1.382 57.677 56.287 0.014 0.000 0.925 137 K CB -0.605 31.900 32.500 0.009 0.000 1.261 137 K HN 1.949 nan 8.250 nan 0.000 0.445 138 E N 2.795 123.008 120.200 0.021 0.000 2.493 138 E HA 0.159 4.509 4.350 -0.000 0.000 0.255 138 E C 0.311 176.928 176.600 0.029 0.000 0.999 138 E CA 0.066 56.481 56.400 0.026 0.000 0.934 138 E CB -0.569 29.145 29.700 0.024 0.000 0.940 138 E HN 0.738 nan 8.360 nan 0.000 0.473 139 N N 0.791 119.514 118.700 0.037 0.000 2.716 139 N HA -0.123 4.617 4.740 -0.000 0.000 0.250 139 N C 0.525 176.056 175.510 0.036 0.000 1.033 139 N CA 1.205 54.282 53.050 0.045 0.000 0.727 139 N CB -1.601 36.914 38.487 0.046 0.000 0.950 139 N HN 1.047 nan 8.380 nan 0.000 0.541 140 G N -0.007 108.809 108.800 0.026 0.000 2.651 140 G HA2 0.405 4.365 3.960 -0.000 0.000 0.260 140 G HA3 0.405 4.365 3.960 -0.000 0.000 0.260 140 G C -2.155 172.748 174.900 0.006 0.000 1.216 140 G CA -0.695 44.412 45.100 0.012 0.000 0.913 140 G HN 0.107 nan 8.290 nan 0.000 0.535 141 P HA 0.168 nan 4.420 nan 0.000 0.274 141 P C -0.158 177.108 177.300 -0.056 0.000 1.237 141 P CA -0.350 62.735 63.100 -0.026 0.000 0.793 141 P CB 1.109 32.786 31.700 -0.038 0.000 0.977 142 V N 3.371 123.230 119.914 -0.090 0.000 2.508 142 V HA 0.107 4.227 4.120 -0.000 0.000 0.281 142 V C 0.744 176.765 176.094 -0.122 0.000 1.041 142 V CA 0.459 62.652 62.300 -0.177 0.000 1.016 142 V CB -0.333 31.287 31.823 -0.338 0.000 0.984 142 V HN 0.479 nan 8.190 nan 0.000 0.478 143 K N 5.548 125.878 120.400 -0.116 0.000 2.426 143 K HA 0.553 4.873 4.320 -0.000 0.000 0.254 143 K C -1.190 175.337 176.600 -0.122 0.000 0.936 143 K CA -0.705 55.520 56.287 -0.103 0.000 0.801 143 K CB 2.105 34.562 32.500 -0.072 0.000 1.139 143 K HN 0.384 nan 8.250 nan 0.000 0.424 144 I N 3.402 123.873 120.570 -0.165 0.000 2.337 144 I HA 0.002 4.172 4.170 -0.000 0.000 0.291 144 I C 1.450 177.479 176.117 -0.147 0.000 1.046 144 I CA 0.290 61.447 61.300 -0.238 0.000 1.324 144 I CB 0.772 38.494 38.000 -0.464 0.000 1.409 144 I HN 0.769 nan 8.210 nan 0.000 0.494 145 S N 3.332 118.987 115.700 -0.075 0.000 2.470 145 S HA 0.083 4.553 4.470 -0.000 0.000 0.222 145 S C 0.969 175.570 174.600 0.001 0.000 1.024 145 S CA -0.284 57.900 58.200 -0.027 0.000 0.931 145 S CB 0.030 63.230 63.200 -0.000 0.000 0.791 145 S HN 0.542 nan 8.310 nan 0.000 0.513 146 S N 2.348 118.072 115.700 0.040 0.000 2.573 146 S HA 0.190 4.660 4.470 -0.000 0.000 0.277 146 S C 0.085 174.706 174.600 0.036 0.000 1.346 146 S CA -0.227 58.020 58.200 0.078 0.000 1.034 146 S CB 0.301 63.613 63.200 0.187 0.000 0.879 146 S HN 0.410 nan 8.310 nan 0.000 0.528 147 K N 1.398 121.815 120.400 0.027 0.000 2.298 147 K HA 0.314 4.634 4.320 -0.000 0.000 0.280 147 K C -0.935 175.666 176.600 0.002 0.000 1.032 147 K CA -0.246 56.047 56.287 0.010 0.000 0.958 147 K CB 0.628 33.134 32.500 0.009 0.000 0.978 147 K HN 0.242 nan 8.250 nan 0.000 0.472 148 V N 3.587 123.503 119.914 0.004 0.000 2.448 148 V HA 0.084 4.204 4.120 -0.000 0.000 0.295 148 V C -0.002 176.087 176.094 -0.009 0.000 1.025 148 V CA -0.975 61.328 62.300 0.004 0.000 0.859 148 V CB 1.479 33.331 31.823 0.049 0.000 0.988 148 V HN 0.693 nan 8.190 nan 0.000 0.431 149 N N 3.655 122.339 118.700 -0.027 0.000 2.878 149 N HA 0.157 4.897 4.740 -0.000 0.000 0.282 149 N C -0.545 174.960 175.510 -0.009 0.000 1.284 149 N CA 0.201 53.241 53.050 -0.017 0.000 1.053 149 N CB 0.070 38.543 38.487 -0.023 0.000 1.382 149 N HN 0.830 nan 8.380 nan 0.000 0.529 150 D N -1.560 118.840 120.400 0.000 0.000 2.966 150 D HA 0.321 4.961 4.640 -0.000 0.000 0.222 150 D C 0.807 177.116 176.300 0.016 0.000 1.292 150 D CA -0.445 53.560 54.000 0.008 0.000 0.907 150 D CB 0.983 41.787 40.800 0.007 0.000 1.621 150 D HN -0.018 nan 8.370 nan 0.000 0.557 151 K N 1.857 122.267 120.400 0.018 0.000 2.001 151 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 151 K C 1.714 178.335 176.600 0.035 0.000 1.048 151 K CA 1.446 57.745 56.287 0.021 0.000 0.932 151 K CB -0.839 31.671 32.500 0.017 0.000 0.715 151 K HN 0.584 nan 8.250 nan 0.000 0.437 152 Q N 0.216 120.043 119.800 0.044 0.000 2.077 152 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 152 Q C 2.310 178.363 176.000 0.090 0.000 0.989 152 Q CA 1.862 57.706 55.803 0.069 0.000 0.853 152 Q CB -0.622 28.159 28.738 0.072 0.000 0.907 152 Q HN 0.426 nan 8.270 nan 0.000 0.418 153 V N 0.636 120.587 119.914 0.063 0.000 2.379 153 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 153 V C 2.384 178.533 176.094 0.092 0.000 1.044 153 V CA 1.623 63.967 62.300 0.073 0.000 1.036 153 V CB -0.564 31.287 31.823 0.046 0.000 0.664 153 V HN 0.260 nan 8.190 nan 0.000 0.453 154 S N -0.585 115.146 115.700 0.053 0.000 2.370 154 S HA -0.235 4.235 4.470 -0.000 0.000 0.226 154 S C 2.049 176.664 174.600 0.025 0.000 1.033 154 S CA 1.455 59.669 58.200 0.025 0.000 1.011 154 S CB -0.326 62.879 63.200 0.010 0.000 0.852 154 S HN 0.571 nan 8.310 nan 0.000 0.457 155 E N 0.465 120.691 120.200 0.042 0.000 2.058 155 E HA -0.130 4.220 4.350 -0.000 0.000 0.194 155 E C 1.757 178.371 176.600 0.023 0.000 0.997 155 E CA 0.991 57.406 56.400 0.026 0.000 0.801 155 E CB -0.296 29.427 29.700 0.037 0.000 0.746 155 E HN 0.571 nan 8.360 nan 0.000 0.450 156 F N 0.673 120.588 119.950 -0.058 0.000 2.216 156 F HA -0.110 4.417 4.527 -0.000 0.000 0.300 156 F C 1.935 177.645 175.800 -0.150 0.000 1.085 156 F CA 0.937 58.880 58.000 -0.094 0.000 1.326 156 F CB 0.155 39.109 39.000 -0.076 0.000 1.027 156 F HN -0.048 nan 8.300 nan 0.000 0.497 157 L N 0.113 121.390 121.223 0.089 0.000 2.629 157 L HA 0.089 4.429 4.340 -0.000 0.000 0.230 157 L C 0.570 177.383 176.870 -0.096 0.000 1.151 157 L CA -0.086 54.742 54.840 -0.021 0.000 0.924 157 L CB -0.616 41.405 42.059 -0.062 0.000 1.137 157 L HN -0.136 nan 8.230 nan 0.000 0.457 158 K N 0.691 121.030 120.400 -0.102 0.000 2.469 158 K HA -0.060 4.260 4.320 -0.000 0.000 0.274 158 K C 0.593 177.122 176.600 -0.118 0.000 0.983 158 K CA -0.316 55.909 56.287 -0.103 0.000 0.974 158 K CB 0.810 33.248 32.500 -0.103 0.000 0.913 158 K HN -0.027 nan 8.250 nan 0.000 0.493 159 D N 2.552 122.893 120.400 -0.099 0.000 2.123 159 D HA -0.208 4.432 4.640 -0.000 0.000 0.196 159 D C 2.150 178.384 176.300 -0.110 0.000 0.992 159 D CA 1.908 55.850 54.000 -0.096 0.000 0.833 159 D CB -0.162 40.592 40.800 -0.078 0.000 0.954 159 D HN 0.785 nan 8.370 nan 0.000 0.455 160 E N 1.521 121.653 120.200 -0.113 0.000 2.085 160 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 160 E C 1.836 178.336 176.600 -0.167 0.000 0.994 160 E CA 1.432 57.757 56.400 -0.125 0.000 0.801 160 E CB -0.857 28.776 29.700 -0.111 0.000 0.743 160 E HN 0.237 nan 8.360 nan 0.000 0.453 161 N N -0.440 118.139 118.700 -0.202 0.000 2.270 161 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 161 N C 1.605 176.968 175.510 -0.245 0.000 1.016 161 N CA 1.331 54.210 53.050 -0.284 0.000 0.870 161 N CB 0.044 38.281 38.487 -0.417 0.000 0.979 161 N HN 0.338 nan 8.380 nan 0.000 0.431 162 M N 0.434 119.943 119.600 -0.151 0.000 2.541 162 M HA 0.026 4.506 4.480 -0.000 0.000 0.252 162 M C 1.559 177.805 176.300 -0.088 0.000 1.125 162 M CA 0.548 55.845 55.300 -0.005 0.000 1.091 162 M CB -0.535 32.066 32.600 0.002 0.000 1.420 162 M HN 0.150 nan 8.290 nan 0.000 0.486 163 E N 1.872 121.971 120.200 -0.169 0.000 2.268 163 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 163 E C 1.476 177.952 176.600 -0.208 0.000 0.995 163 E CA 1.466 57.777 56.400 -0.149 0.000 0.836 163 E CB -0.585 29.040 29.700 -0.127 0.000 0.763 163 E HN 0.585 nan 8.360 nan 0.000 0.491 164 K N -0.088 120.074 120.400 -0.396 0.000 2.360 164 K HA -0.031 4.289 4.320 -0.000 0.000 0.201 164 K C -0.272 176.061 176.600 -0.446 0.000 1.046 164 K CA 0.586 56.571 56.287 -0.503 0.000 0.945 164 K CB -0.366 31.716 32.500 -0.698 0.000 0.750 164 K HN 0.131 nan 8.250 nan 0.000 0.464 165 F N 2.002 121.978 119.950 0.043 0.000 2.458 165 F HA 0.277 4.804 4.527 -0.000 0.000 0.330 165 F C 0.300 176.114 175.800 0.023 0.000 1.082 165 F CA -1.450 56.611 58.000 0.101 0.000 0.995 165 F CB 1.150 40.275 39.000 0.209 0.000 1.170 165 F HN 0.037 nan 8.300 nan 0.000 0.478 166 N N -0.733 118.138 118.700 0.286 0.000 2.545 166 N HA 0.434 5.174 4.740 -0.000 0.000 0.289 166 N C -0.291 175.318 175.510 0.165 0.000 1.279 166 N CA -0.865 52.272 53.050 0.146 0.000 0.824 166 N CB 1.378 39.930 38.487 0.108 0.000 1.395 166 N HN 0.393 nan 8.380 nan 0.000 0.526 167 V N -3.726 116.246 119.914 0.097 0.000 3.514 167 V HA 0.269 4.389 4.120 -0.000 0.000 0.301 167 V C 0.668 176.837 176.094 0.126 0.000 1.346 167 V CA -0.260 62.106 62.300 0.111 0.000 1.156 167 V CB -1.581 30.269 31.823 0.044 0.000 1.029 167 V HN 0.758 nan 8.190 nan 0.000 0.428 168 K N 1.647 122.121 120.400 0.123 0.000 2.511 168 K HA -0.043 4.277 4.320 -0.000 0.000 0.277 168 K C -0.056 176.599 176.600 0.092 0.000 1.025 168 K CA -0.120 56.224 56.287 0.095 0.000 1.112 168 K CB 0.147 32.701 32.500 0.090 0.000 0.859 168 K HN 0.498 nan 8.250 nan 0.000 0.485 169 L N 5.567 126.834 121.223 0.072 0.000 2.628 169 L HA 0.091 4.431 4.340 -0.000 0.000 0.274 169 L C 1.208 178.109 176.870 0.051 0.000 1.209 169 L CA 2.219 57.098 54.840 0.065 0.000 0.930 169 L CB -0.154 41.941 42.059 0.060 0.000 1.183 169 L HN 0.958 nan 8.230 nan 0.000 0.492 170 G N 2.025 110.849 108.800 0.040 0.000 2.176 170 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.253 170 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.253 170 G C 0.635 175.524 174.900 -0.018 0.000 0.979 170 G CA 0.289 45.394 45.100 0.009 0.000 0.641 170 G HN 0.842 nan 8.290 nan 0.000 0.530 171 T N 1.275 115.833 114.554 0.006 0.000 2.898 171 T HA 0.560 4.910 4.350 -0.000 0.000 0.301 171 T C 0.532 175.119 174.700 -0.188 0.000 1.049 171 T CA 1.040 63.125 62.100 -0.024 0.000 1.095 171 T CB 1.022 69.943 68.868 0.087 0.000 0.976 171 T HN 1.505 nan 8.240 nan 0.000 0.539 172 S N 1.950 117.454 115.700 -0.327 0.000 2.570 172 S HA 0.808 5.278 4.470 -0.000 0.000 0.270 172 S C -1.490 172.696 174.600 -0.691 0.000 1.149 172 S CA -1.135 56.662 58.200 -0.672 0.000 0.837 172 S CB 2.173 65.079 63.200 -0.489 0.000 1.124 172 S HN 0.508 nan 8.310 nan 0.000 0.465 173 K N 0.062 119.846 120.400 -1.026 0.000 2.512 173 K HA 0.662 4.982 4.320 -0.000 0.000 0.263 173 K C -1.966 174.077 176.600 -0.927 0.000 0.966 173 K CA -0.485 55.353 56.287 -0.748 0.000 0.851 173 K CB 1.616 33.672 32.500 -0.741 0.000 1.395 173 K HN 0.811 nan 8.250 nan 0.000 0.440 174 H N 0.611 119.334 119.070 -0.579 0.000 2.524 174 H HA 0.533 5.089 4.556 -0.000 0.000 0.353 174 H C -1.017 174.123 175.328 -0.312 0.000 1.136 174 H CA -0.326 55.429 56.048 -0.489 0.000 1.193 174 H CB 0.876 30.514 29.762 -0.206 0.000 1.558 174 H HN 0.296 nan 8.280 nan 0.000 0.515 175 F N 1.474 121.459 119.950 0.058 0.000 2.546 175 F HA 0.351 4.878 4.527 -0.000 0.000 0.320 175 F C -0.836 174.932 175.800 -0.052 0.000 1.076 175 F CA -1.168 56.816 58.000 -0.027 0.000 0.928 175 F CB 1.813 40.663 39.000 -0.249 0.000 1.189 175 F HN 0.423 nan 8.300 nan 0.000 0.465 176 Y N 5.011 125.299 120.300 -0.019 0.000 2.391 176 Y HA 0.722 5.272 4.550 0.000 0.000 0.341 176 Y C -0.846 174.947 175.900 -0.179 0.000 0.965 176 Y CA -1.111 56.927 58.100 -0.104 0.000 1.067 176 Y CB 1.538 39.976 38.460 -0.036 0.000 1.199 176 Y HN 0.647 nan 8.280 nan 0.000 0.450 177 M N 3.861 123.010 119.600 -0.752 0.000 2.732 177 M HA 0.483 4.963 4.480 -0.000 0.000 0.272 177 M C -2.284 173.621 176.300 -0.659 0.000 1.203 177 M CA -0.761 54.237 55.300 -0.503 0.000 0.841 177 M CB 2.116 34.514 32.600 -0.335 0.000 1.685 177 M HN 0.506 nan 8.290 nan 0.000 0.492 178 F N 2.895 122.695 119.950 -0.250 0.000 2.411 178 F HA 0.380 4.907 4.527 -0.000 0.000 0.350 178 F C 0.807 176.548 175.800 -0.097 0.000 1.114 178 F CA -0.093 57.809 58.000 -0.163 0.000 1.135 178 F CB 0.975 39.925 39.000 -0.085 0.000 1.120 178 F HN 0.758 nan 8.300 nan 0.000 0.495 179 N N 1.192 119.907 118.700 0.025 0.000 2.328 179 N HA 0.024 4.764 4.740 -0.000 0.000 0.277 179 N C 0.507 176.055 175.510 0.064 0.000 1.286 179 N CA -0.266 52.800 53.050 0.027 0.000 0.949 179 N CB 0.258 38.734 38.487 -0.017 0.000 1.136 179 N HN 0.426 nan 8.380 nan 0.000 0.550 180 D N -0.973 119.450 120.400 0.038 0.000 2.178 180 D HA -0.102 4.538 4.640 -0.000 0.000 0.201 180 D C 0.494 176.816 176.300 0.037 0.000 0.980 180 D CA 1.032 55.053 54.000 0.035 0.000 0.842 180 D CB -0.341 40.471 40.800 0.021 0.000 0.948 180 D HN 0.520 nan 8.370 nan 0.000 0.472 181 N N 1.271 119.993 118.700 0.037 0.000 2.515 181 N HA -0.050 4.690 4.740 -0.000 0.000 0.191 181 N C 0.126 175.677 175.510 0.068 0.000 1.182 181 N CA 0.242 53.315 53.050 0.039 0.000 0.879 181 N CB 0.313 38.816 38.487 0.027 0.000 0.984 181 N HN 0.186 nan 8.380 nan 0.000 0.453 182 K N -0.399 120.064 120.400 0.105 0.000 3.230 182 K HA -0.175 4.145 4.320 -0.000 0.000 0.285 182 K C -0.950 175.852 176.600 0.337 0.000 1.196 182 K CA 0.443 56.842 56.287 0.186 0.000 0.838 182 K CB -2.442 30.105 32.500 0.078 0.000 1.262 182 K HN 0.463 nan 8.250 nan 0.000 0.492 183 N N 1.543 120.358 118.700 0.191 0.000 2.444 183 N HA 0.144 4.884 4.740 -0.000 0.000 0.262 183 N C -0.250 175.138 175.510 -0.203 0.000 0.974 183 N CA -0.252 52.837 53.050 0.064 0.000 0.933 183 N CB 1.200 39.691 38.487 0.007 0.000 1.137 183 N HN 0.206 nan 8.380 nan 0.000 0.498 184 S N 1.211 116.560 115.700 -0.586 0.000 2.544 184 S HA 0.220 4.690 4.470 -0.000 0.000 0.290 184 S C 0.266 174.520 174.600 -0.577 0.000 1.276 184 S CA -0.704 56.828 58.200 -1.114 0.000 1.075 184 S CB 0.001 62.433 63.200 -1.279 0.000 0.849 184 S HN 0.323 nan 8.310 nan 0.000 0.494 185 V N -0.255 119.323 119.914 -0.561 0.000 3.074 185 V HA 0.995 5.115 4.120 -0.000 0.000 0.314 185 V C -0.087 175.842 176.094 -0.275 0.000 1.117 185 V CA -1.038 61.079 62.300 -0.304 0.000 1.014 185 V CB 1.287 32.992 31.823 -0.198 0.000 1.057 185 V HN 1.271 nan 8.190 nan 0.000 0.438 186 A N 1.974 124.722 122.820 -0.119 0.000 2.318 186 A HA 0.914 5.234 4.320 -0.000 0.000 0.324 186 A C -0.653 176.906 177.584 -0.042 0.000 1.170 186 A CA -0.617 51.397 52.037 -0.039 0.000 0.810 186 A CB 1.369 20.392 19.000 0.039 0.000 1.198 186 A HN 1.316 nan 8.150 nan 0.000 0.484 187 V N 1.056 120.955 119.914 -0.026 0.000 3.040 187 V HA 0.953 5.073 4.120 -0.000 0.000 0.312 187 V C 0.599 176.586 176.094 -0.179 0.000 1.115 187 V CA 0.233 62.548 62.300 0.025 0.000 0.998 187 V CB 2.076 34.013 31.823 0.189 0.000 1.042 187 V HN 1.547 nan 8.190 nan 0.000 0.433 188 G N 1.006 109.680 108.800 -0.210 0.000 2.490 188 G HA2 0.675 4.635 3.960 -0.000 0.000 0.308 188 G HA3 0.675 4.635 3.960 -0.000 0.000 0.308 188 G C -1.980 172.820 174.900 -0.168 0.000 1.286 188 G CA -0.136 44.572 45.100 -0.653 0.000 0.825 188 G HN 1.276 nan 8.290 nan 0.000 0.479 189 Y N -1.940 118.141 120.300 -0.366 0.000 2.625 189 Y HA 0.804 5.354 4.550 -0.000 0.000 0.338 189 Y C -1.354 174.436 175.900 -0.184 0.000 1.123 189 Y CA -1.525 56.493 58.100 -0.137 0.000 1.046 189 Y CB 1.629 40.080 38.460 -0.014 0.000 1.299 189 Y HN 0.541 nan 8.280 nan 0.000 0.464 190 V N 2.172 122.052 119.914 -0.056 0.000 2.540 190 V HA 0.712 4.832 4.120 -0.000 0.000 0.302 190 V C 0.390 176.596 176.094 0.187 0.000 1.035 190 V CA -0.461 61.773 62.300 -0.109 0.000 0.873 190 V CB 1.557 33.309 31.823 -0.119 0.000 0.992 190 V HN 1.140 nan 8.190 nan 0.000 0.428 191 G N 1.853 110.780 108.800 0.211 0.000 2.380 191 G HA2 0.322 4.282 3.960 -0.000 0.000 0.262 191 G HA3 0.322 4.282 3.960 -0.000 0.000 0.262 191 G C 0.356 175.326 174.900 0.117 0.000 1.243 191 G CA -0.153 45.093 45.100 0.244 0.000 0.865 191 G HN 0.886 nan 8.290 nan 0.000 0.513 192 C N 2.356 121.713 119.300 0.096 0.000 2.881 192 C HA 0.644 5.104 4.460 -0.000 0.000 0.290 192 C C 1.623 176.654 174.990 0.068 0.000 1.362 192 C CA 0.056 59.117 59.018 0.070 0.000 1.757 192 C CB -1.550 26.223 27.740 0.055 0.000 2.265 192 C HN 1.388 nan 8.230 nan 0.000 0.600 193 G N 2.048 110.891 108.800 0.071 0.000 2.553 193 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.242 193 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.242 193 G C 0.579 175.510 174.900 0.051 0.000 1.277 193 G CA 0.391 45.528 45.100 0.061 0.000 0.910 193 G HN 0.948 nan 8.290 nan 0.000 0.576 194 S N -1.948 113.779 115.700 0.046 0.000 2.733 194 S HA 0.501 4.971 4.470 -0.000 0.000 0.247 194 S C 0.287 174.911 174.600 0.039 0.000 1.043 194 S CA 0.826 59.049 58.200 0.039 0.000 1.066 194 S CB 0.813 64.033 63.200 0.033 0.000 1.045 194 S HN 1.386 nan 8.310 nan 0.000 0.586 195 V N 2.977 122.917 119.914 0.045 0.000 2.348 195 V HA 0.598 4.718 4.120 -0.000 0.000 0.270 195 V C 1.417 177.541 176.094 0.051 0.000 1.037 195 V CA -0.015 62.312 62.300 0.046 0.000 0.872 195 V CB 0.401 32.253 31.823 0.048 0.000 1.002 195 V HN 0.501 nan 8.190 nan 0.000 0.464 196 A N 3.086 125.935 122.820 0.048 0.000 2.225 196 A HA 0.144 4.464 4.320 -0.000 0.000 0.215 196 A C 1.101 178.722 177.584 0.061 0.000 1.164 196 A CA 1.267 53.336 52.037 0.052 0.000 0.710 196 A CB -0.655 18.373 19.000 0.045 0.000 0.780 196 A HN 0.955 nan 8.150 nan 0.000 0.473 197 D N -0.032 120.404 120.400 0.061 0.000 2.469 197 D HA 0.582 5.222 4.640 -0.000 0.000 0.251 197 D C -0.557 175.786 176.300 0.071 0.000 1.173 197 D CA -0.590 53.450 54.000 0.067 0.000 0.882 197 D CB 0.424 41.258 40.800 0.057 0.000 1.129 197 D HN 0.266 nan 8.370 nan 0.000 0.549 198 L N 2.060 123.335 121.223 0.086 0.000 2.367 198 L HA 0.414 4.754 4.340 -0.000 0.000 0.275 198 L C 1.544 178.462 176.870 0.081 0.000 1.129 198 L CA -0.657 54.239 54.840 0.093 0.000 0.839 198 L CB 1.426 43.559 42.059 0.122 0.000 1.133 198 L HN 0.630 nan 8.230 nan 0.000 0.453 199 S N 1.838 117.583 115.700 0.074 0.000 2.600 199 S HA 0.011 4.481 4.470 -0.000 0.000 0.265 199 S C 1.119 175.748 174.600 0.048 0.000 1.325 199 S CA -0.397 57.835 58.200 0.054 0.000 1.002 199 S CB 1.174 64.415 63.200 0.069 0.000 0.921 199 S HN 0.778 nan 8.310 nan 0.000 0.554 200 E N 1.665 121.838 120.200 -0.044 0.000 2.130 200 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 200 E C 1.874 178.552 176.600 0.131 0.000 0.998 200 E CA 1.860 58.180 56.400 -0.133 0.000 0.806 200 E CB -0.822 28.641 29.700 -0.395 0.000 0.738 200 E HN 0.811 nan 8.360 nan 0.000 0.459 201 A N 1.254 124.147 122.820 0.121 0.000 1.929 201 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 201 A C 1.874 179.544 177.584 0.143 0.000 1.176 201 A CA 1.577 53.704 52.037 0.151 0.000 0.628 201 A CB -0.354 18.725 19.000 0.132 0.000 0.816 201 A HN 0.247 nan 8.150 nan 0.000 0.444 202 D N -0.739 119.737 120.400 0.127 0.000 2.097 202 D HA -0.153 4.487 4.640 -0.000 0.000 0.195 202 D C 1.805 178.193 176.300 0.148 0.000 0.989 202 D CA 1.677 55.748 54.000 0.118 0.000 0.827 202 D CB -0.386 40.476 40.800 0.104 0.000 0.966 202 D HN 0.374 nan 8.370 nan 0.000 0.456 203 M N 1.058 120.783 119.600 0.208 0.000 2.117 203 M HA -0.133 4.347 4.480 -0.000 0.000 0.262 203 M C 1.871 178.314 176.300 0.238 0.000 1.065 203 M CA 1.541 57.008 55.300 0.279 0.000 1.114 203 M CB -0.229 32.636 32.600 0.441 0.000 1.361 203 M HN -0.163 nan 8.290 nan 0.000 0.408 204 K N -0.681 119.879 120.400 0.266 0.000 2.057 204 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 204 K C 2.266 178.907 176.600 0.068 0.000 1.049 204 K CA 1.653 58.024 56.287 0.139 0.000 0.931 204 K CB -0.214 32.403 32.500 0.196 0.000 0.714 204 K HN 0.321 nan 8.250 nan 0.000 0.440 205 R N -0.066 120.485 120.500 0.085 0.000 2.081 205 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 205 R C 2.089 178.406 176.300 0.029 0.000 1.131 205 R CA 1.571 57.702 56.100 0.052 0.000 0.960 205 R CB -0.200 30.136 30.300 0.061 0.000 0.856 205 R HN 0.073 nan 8.270 nan 0.000 0.436 206 V N -0.103 119.843 119.914 0.052 0.000 2.295 206 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 206 V C 2.272 178.362 176.094 -0.007 0.000 1.049 206 V CA 1.694 64.016 62.300 0.036 0.000 1.024 206 V CB -0.308 31.566 31.823 0.084 0.000 0.648 206 V HN 0.176 nan 8.190 nan 0.000 0.447 207 V N -0.387 119.509 119.914 -0.030 0.000 2.332 207 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 207 V C 2.381 178.379 176.094 -0.159 0.000 1.055 207 V CA 1.717 63.919 62.300 -0.165 0.000 1.038 207 V CB -0.616 31.030 31.823 -0.295 0.000 0.651 207 V HN 0.383 nan 8.190 nan 0.000 0.450 208 L N -0.080 121.085 121.223 -0.097 0.000 2.083 208 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 208 L C 2.602 179.413 176.870 -0.099 0.000 1.083 208 L CA 1.790 56.580 54.840 -0.084 0.000 0.752 208 L CB -1.311 40.729 42.059 -0.031 0.000 0.899 208 L HN 0.266 nan 8.230 nan 0.000 0.433 209 S N -0.489 115.158 115.700 -0.088 0.000 2.356 209 S HA -0.171 4.299 4.470 -0.000 0.000 0.223 209 S C 1.894 176.400 174.600 -0.156 0.000 1.032 209 S CA 1.262 59.398 58.200 -0.107 0.000 1.005 209 S CB -0.454 62.686 63.200 -0.100 0.000 0.867 209 S HN 0.338 nan 8.310 nan 0.000 0.449 210 L N 2.027 123.148 121.223 -0.170 0.000 2.012 210 L HA -0.051 4.289 4.340 -0.000 0.000 0.210 210 L C 2.170 178.877 176.870 -0.273 0.000 1.073 210 L CA 1.603 56.316 54.840 -0.212 0.000 0.748 210 L CB -0.802 41.148 42.059 -0.180 0.000 0.891 210 L HN 0.134 nan 8.230 nan 0.000 0.431 211 V N -0.117 119.616 119.914 -0.301 0.000 2.392 211 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 211 V C 2.729 178.579 176.094 -0.408 0.000 1.059 211 V CA 2.142 64.190 62.300 -0.420 0.000 1.051 211 V CB -1.419 30.180 31.823 -0.374 0.000 0.658 211 V HN 0.796 nan 8.190 nan 0.000 0.455 212 T N -2.056 112.367 114.554 -0.218 0.000 2.915 212 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 212 T C 1.702 176.369 174.700 -0.054 0.000 1.071 212 T CA 1.543 63.588 62.100 -0.092 0.000 1.132 212 T CB -0.401 68.446 68.868 -0.036 0.000 0.878 212 T HN 0.432 nan 8.240 nan 0.000 0.479 213 M N 0.334 119.877 119.600 -0.095 0.000 2.374 213 M HA 0.204 4.684 4.480 -0.000 0.000 0.264 213 M C 2.117 178.395 176.300 -0.037 0.000 1.067 213 M CA 1.140 56.432 55.300 -0.013 0.000 1.103 213 M CB -0.493 32.025 32.600 -0.137 0.000 1.402 213 M HN 0.218 nan 8.290 nan 0.000 0.444 214 L N -1.287 119.837 121.223 -0.164 0.000 2.209 214 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 214 L C 0.783 177.678 176.870 0.040 0.000 1.094 214 L CA 0.163 54.904 54.840 -0.165 0.000 0.790 214 L CB -0.376 41.385 42.059 -0.495 0.000 0.932 214 L HN 0.226 nan 8.230 nan 0.000 0.447 215 H N 0.796 119.857 119.070 -0.016 0.000 2.629 215 H HA 0.056 4.612 4.556 -0.000 0.000 0.357 215 H C 0.029 175.337 175.328 -0.034 0.000 1.121 215 H CA -0.564 55.477 56.048 -0.012 0.000 1.406 215 H CB 0.540 30.293 29.762 -0.015 0.000 1.456 215 H HN 0.067 nan 8.280 nan 0.000 0.579 216 D N 1.104 121.542 120.400 0.063 0.000 2.723 216 D HA -0.229 4.411 4.640 -0.000 0.000 0.236 216 D C -0.553 175.741 176.300 -0.010 0.000 1.138 216 D CA 0.654 54.653 54.000 -0.002 0.000 0.676 216 D CB -0.970 39.825 40.800 -0.008 0.000 1.069 216 D HN 0.489 nan 8.370 nan 0.000 0.430 217 N N 0.712 119.414 118.700 0.004 0.000 2.699 217 N HA 0.002 4.742 4.740 -0.000 0.000 0.271 217 N C -0.885 174.630 175.510 0.008 0.000 1.216 217 N CA -0.436 52.611 53.050 -0.006 0.000 0.844 217 N CB 0.873 39.358 38.487 -0.004 0.000 1.462 217 N HN -0.111 nan 8.380 nan 0.000 0.555 218 K N 3.681 124.080 120.400 -0.001 0.000 2.163 218 K HA 0.148 4.468 4.320 -0.000 0.000 0.267 218 K C -0.231 176.383 176.600 0.024 0.000 1.098 218 K CA 0.232 56.525 56.287 0.009 0.000 1.062 218 K CB 0.248 32.749 32.500 0.003 0.000 1.033 218 K HN 0.414 nan 8.250 nan 0.000 0.396 219 L N 1.226 122.473 121.223 0.040 0.000 2.362 219 L HA 0.162 4.502 4.340 -0.000 0.000 0.271 219 L C 1.306 178.222 176.870 0.076 0.000 1.002 219 L CA -0.402 54.467 54.840 0.049 0.000 0.818 219 L CB 2.004 44.086 42.059 0.040 0.000 1.298 219 L HN 0.504 nan 8.230 nan 0.000 0.420 220 S N 0.559 116.309 115.700 0.083 0.000 2.517 220 S HA 0.147 4.617 4.470 -0.000 0.000 0.214 220 S C 0.283 174.985 174.600 0.170 0.000 0.991 220 S CA -0.037 58.237 58.200 0.124 0.000 0.906 220 S CB 0.199 63.474 63.200 0.125 0.000 0.789 220 S HN 0.623 nan 8.310 nan 0.000 0.513 221 K N 0.104 120.577 120.400 0.123 0.000 2.550 221 K HA 0.528 4.848 4.320 -0.000 0.000 0.252 221 K C -2.306 174.336 176.600 0.071 0.000 0.943 221 K CA -0.856 55.510 56.287 0.132 0.000 0.806 221 K CB 1.700 34.269 32.500 0.115 0.000 1.289 221 K HN 0.167 nan 8.250 nan 0.000 0.435 222 L N 2.561 123.825 121.223 0.070 0.000 2.346 222 L HA 0.607 4.947 4.340 -0.000 0.000 0.276 222 L C -1.282 175.621 176.870 0.055 0.000 1.006 222 L CA 0.249 55.102 54.840 0.021 0.000 0.817 222 L CB 2.164 44.205 42.059 -0.029 0.000 1.272 222 L HN 0.667 nan 8.230 nan 0.000 0.421 223 T N 4.251 118.821 114.554 0.027 0.000 2.807 223 T HA 0.654 5.004 4.350 -0.000 0.000 0.279 223 T C -0.898 173.797 174.700 -0.008 0.000 0.993 223 T CA -0.404 61.736 62.100 0.067 0.000 0.970 223 T CB 1.539 70.468 68.868 0.102 0.000 0.950 223 T HN 0.358 nan 8.240 nan 0.000 0.441 224 V N 3.778 123.724 119.914 0.053 0.000 2.448 224 V HA 0.483 4.603 4.120 -0.000 0.000 0.295 224 V C -0.326 175.770 176.094 0.004 0.000 1.025 224 V CA -0.770 61.506 62.300 -0.040 0.000 0.859 224 V CB 1.842 33.672 31.823 0.011 0.000 0.988 224 V HN 0.709 nan 8.190 nan 0.000 0.431 225 V N 5.414 125.208 119.914 -0.200 0.000 2.334 225 V HA 0.424 4.544 4.120 -0.000 0.000 0.281 225 V C -0.482 175.575 176.094 -0.061 0.000 1.016 225 V CA -0.469 61.771 62.300 -0.101 0.000 0.832 225 V CB 1.142 32.686 31.823 -0.465 0.000 0.999 225 V HN 0.663 nan 8.190 nan 0.000 0.439 226 F N 3.423 123.336 119.950 -0.063 0.000 2.462 226 F HA 0.292 4.819 4.527 -0.000 0.000 0.360 226 F C 1.358 177.156 175.800 -0.004 0.000 1.134 226 F CA -0.049 57.903 58.000 -0.079 0.000 1.148 226 F CB 0.537 39.442 39.000 -0.159 0.000 1.147 226 F HN 0.547 nan 8.300 nan 0.000 0.550 227 E N 4.636 124.906 120.200 0.116 0.000 2.496 227 E HA 0.191 4.541 4.350 -0.000 0.000 0.200 227 E C -0.085 176.569 176.600 0.090 0.000 1.016 227 E CA 0.004 56.474 56.400 0.117 0.000 0.962 227 E CB 0.300 30.075 29.700 0.125 0.000 1.071 227 E HN 0.583 nan 8.360 nan 0.000 0.457 228 I N -3.374 117.263 120.570 0.112 0.000 2.957 228 I HA 0.440 4.610 4.170 -0.000 0.000 0.310 228 I C -0.342 175.861 176.117 0.143 0.000 1.063 228 I CA -1.123 60.243 61.300 0.109 0.000 1.033 228 I CB 1.851 39.906 38.000 0.091 0.000 1.230 228 I HN -0.257 nan 8.210 nan 0.000 0.447 229 N N 2.055 120.824 118.700 0.115 0.000 2.455 229 N HA 0.551 5.291 4.740 -0.000 0.000 0.280 229 N C -1.604 173.981 175.510 0.126 0.000 1.055 229 N CA -0.271 52.842 53.050 0.105 0.000 0.961 229 N CB 2.000 40.536 38.487 0.082 0.000 1.121 229 N HN 0.441 nan 8.380 nan 0.000 0.476 230 V N 3.068 123.054 119.914 0.122 0.000 2.697 230 V HA 0.050 4.170 4.120 -0.000 0.000 0.300 230 V C -0.756 175.454 176.094 0.193 0.000 1.115 230 V CA -0.903 61.487 62.300 0.151 0.000 0.912 230 V CB 1.981 33.901 31.823 0.162 0.000 1.024 230 V HN 0.793 nan 8.190 nan 0.000 0.431 231 D N 4.242 124.747 120.400 0.176 0.000 2.393 231 D HA 0.141 4.781 4.640 -0.000 0.000 0.246 231 D C 0.937 177.385 176.300 0.247 0.000 1.275 231 D CA -0.219 53.877 54.000 0.161 0.000 0.979 231 D CB 0.910 41.760 40.800 0.083 0.000 1.101 231 D HN 0.384 nan 8.370 nan 0.000 0.505 232 K N -0.706 119.766 120.400 0.120 0.000 2.057 232 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 232 K C 1.715 178.447 176.600 0.220 0.000 1.050 232 K CA 1.059 57.425 56.287 0.131 0.000 0.935 232 K CB -0.134 32.311 32.500 -0.091 0.000 0.715 232 K HN 0.333 nan 8.250 nan 0.000 0.439 233 N N 1.001 119.787 118.700 0.144 0.000 2.166 233 N HA -0.158 4.582 4.740 -0.000 0.000 0.186 233 N C 1.695 177.331 175.510 0.210 0.000 1.019 233 N CA 0.906 54.043 53.050 0.144 0.000 0.856 233 N CB -0.158 38.378 38.487 0.083 0.000 0.993 233 N HN 0.069 nan 8.380 nan 0.000 0.426 234 L N 0.056 121.413 121.223 0.223 0.000 2.240 234 L HA 0.068 4.408 4.340 -0.000 0.000 0.211 234 L C 1.914 179.006 176.870 0.371 0.000 1.106 234 L CA 0.939 55.947 54.840 0.280 0.000 0.793 234 L CB -0.620 41.572 42.059 0.222 0.000 0.927 234 L HN -0.010 nan 8.230 nan 0.000 0.446 235 F N 0.253 120.307 119.950 0.174 0.000 2.146 235 F HA -0.166 4.361 4.527 0.000 0.000 0.298 235 F C 2.708 178.603 175.800 0.157 0.000 1.096 235 F CA 1.809 59.856 58.000 0.077 0.000 1.275 235 F CB -0.299 38.687 39.000 -0.023 0.000 1.008 235 F HN 0.034 nan 8.300 nan 0.000 0.480 236 R N -0.698 119.890 120.500 0.147 0.000 2.092 236 R HA -0.204 4.136 4.340 -0.000 0.000 0.231 236 R C 2.386 178.692 176.300 0.011 0.000 1.119 236 R CA 1.715 57.815 56.100 0.000 0.000 0.970 236 R CB -0.842 29.505 30.300 0.079 0.000 0.864 236 R HN 0.405 nan 8.270 nan 0.000 0.440 237 F N 0.774 120.732 119.950 0.012 0.000 2.134 237 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 237 F C 1.842 177.623 175.800 -0.032 0.000 1.097 237 F CA 1.484 59.495 58.000 0.018 0.000 1.264 237 F CB -0.637 38.400 39.000 0.061 0.000 1.001 237 F HN 0.058 nan 8.300 nan 0.000 0.479 238 F N 0.511 120.370 119.950 -0.151 0.000 2.065 238 F HA -0.253 4.274 4.527 0.000 0.000 0.298 238 F C 1.728 177.249 175.800 -0.465 0.000 1.112 238 F CA 1.921 59.766 58.000 -0.259 0.000 1.212 238 F CB -0.653 38.324 39.000 -0.038 0.000 0.975 238 F HN -0.022 nan 8.300 nan 0.000 0.476 239 L N 0.729 121.621 121.223 -0.552 0.000 2.027 239 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 239 L C 2.352 178.560 176.870 -1.103 0.000 1.074 239 L CA 1.840 56.096 54.840 -0.974 0.000 0.745 239 L CB -1.249 40.290 42.059 -0.866 0.000 0.898 239 L HN 0.160 nan 8.230 nan 0.000 0.433 240 E N -0.916 118.947 120.200 -0.561 0.000 2.070 240 E HA -0.228 4.122 4.350 -0.000 0.000 0.197 240 E C 2.059 178.519 176.600 -0.233 0.000 1.004 240 E CA 1.991 58.266 56.400 -0.208 0.000 0.805 240 E CB -0.204 29.471 29.700 -0.041 0.000 0.744 240 E HN 0.464 nan 8.360 nan 0.000 0.451 241 T N 1.288 115.542 114.554 -0.500 0.000 2.737 241 T HA -0.130 4.220 4.350 -0.000 0.000 0.265 241 T C 1.811 176.303 174.700 -0.346 0.000 1.038 241 T CA 0.847 62.672 62.100 -0.458 0.000 1.144 241 T CB -0.271 68.115 68.868 -0.803 0.000 0.866 241 T HN 0.037 nan 8.240 nan 0.000 0.434 242 L N 0.901 121.757 121.223 -0.611 0.000 1.990 242 L HA -0.074 4.266 4.340 -0.000 0.000 0.213 242 L C 1.981 178.731 176.870 -0.200 0.000 1.072 242 L CA 1.903 56.414 54.840 -0.549 0.000 0.755 242 L CB -1.051 40.481 42.059 -0.877 0.000 0.889 242 L HN 0.117 nan 8.230 nan 0.000 0.432 243 F N -1.041 118.737 119.950 -0.287 0.000 2.095 243 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 243 F C 2.567 178.201 175.800 -0.275 0.000 1.104 243 F CA 1.554 59.302 58.000 -0.419 0.000 1.232 243 F CB -1.702 36.834 39.000 -0.774 0.000 0.987 243 F HN 0.205 nan 8.300 nan 0.000 0.475 244 Y N 1.198 121.564 120.300 0.111 0.000 2.145 244 Y HA -0.193 4.357 4.550 -0.000 0.000 0.286 244 Y C 2.356 178.325 175.900 0.115 0.000 1.145 244 Y CA 1.866 60.108 58.100 0.237 0.000 1.148 244 Y CB -0.281 38.306 38.460 0.212 0.000 0.981 244 Y HN -0.018 nan 8.280 nan 0.000 0.507 245 E N -1.080 119.193 120.200 0.122 0.000 2.152 245 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 245 E C 1.930 178.568 176.600 0.064 0.000 0.983 245 E CA 0.936 57.356 56.400 0.033 0.000 0.818 245 E CB -0.690 29.020 29.700 0.016 0.000 0.758 245 E HN 0.563 nan 8.360 nan 0.000 0.467 246 Y N 1.074 121.319 120.300 -0.090 0.000 2.263 246 Y HA -0.020 4.530 4.550 -0.000 0.000 0.292 246 Y C 1.051 177.014 175.900 0.105 0.000 1.130 246 Y CA 0.283 58.365 58.100 -0.031 0.000 1.179 246 Y CB -0.143 38.297 38.460 -0.034 0.000 0.998 246 Y HN -0.029 nan 8.280 nan 0.000 0.532 247 M N 1.231 120.819 119.600 -0.019 0.000 2.238 247 M HA 0.143 4.623 4.480 -0.000 0.000 0.350 247 M C -0.624 175.624 176.300 -0.087 0.000 1.321 247 M CA 0.701 55.900 55.300 -0.169 0.000 1.097 247 M CB 0.262 32.581 32.600 -0.468 0.000 1.713 247 M HN 0.020 nan 8.290 nan 0.000 0.455 248 T N 4.170 118.731 114.554 0.011 0.000 2.779 248 T HA 0.234 4.584 4.350 -0.000 0.000 0.280 248 T C -1.003 173.732 174.700 0.058 0.000 0.987 248 T CA -0.582 61.531 62.100 0.023 0.000 0.966 248 T CB 0.702 69.564 68.868 -0.009 0.000 0.933 248 T HN 0.555 nan 8.240 nan 0.000 0.442 249 D N 2.733 123.188 120.400 0.091 0.000 2.393 249 D HA 0.104 4.744 4.640 -0.000 0.000 0.232 249 D C 0.502 176.830 176.300 0.046 0.000 1.192 249 D CA -0.177 53.895 54.000 0.119 0.000 0.882 249 D CB 0.661 41.536 40.800 0.124 0.000 1.038 249 D HN 0.527 nan 8.370 nan 0.000 0.499 250 E N 2.779 122.982 120.200 0.005 0.000 2.496 250 E HA 0.103 4.453 4.350 -0.000 0.000 0.200 250 E C 1.380 177.908 176.600 -0.121 0.000 1.016 250 E CA -0.212 56.171 56.400 -0.029 0.000 0.962 250 E CB 0.653 30.340 29.700 -0.022 0.000 1.071 250 E HN 0.365 nan 8.360 nan 0.000 0.457 251 R N -0.143 120.209 120.500 -0.247 0.000 2.120 251 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 251 R C 0.953 176.809 176.300 -0.739 0.000 1.123 251 R CA 1.250 57.012 56.100 -0.563 0.000 0.975 251 R CB -0.008 29.756 30.300 -0.893 0.000 0.866 251 R HN 0.151 nan 8.270 nan 0.000 0.446 252 F N 0.545 120.422 119.950 -0.122 0.000 2.664 252 F HA 0.193 4.720 4.527 -0.000 0.000 0.303 252 F C 0.434 176.201 175.800 -0.056 0.000 1.092 252 F CA -0.260 57.667 58.000 -0.122 0.000 1.305 252 F CB 0.336 39.237 39.000 -0.164 0.000 1.054 252 F HN -0.383 nan 8.300 nan 0.000 0.565 253 K N 0.404 120.832 120.400 0.046 0.000 2.218 253 K HA 0.278 4.598 4.320 -0.000 0.000 0.276 253 K C 0.788 177.396 176.600 0.014 0.000 1.022 253 K CA 0.090 56.398 56.287 0.034 0.000 0.946 253 K CB 2.036 34.542 32.500 0.009 0.000 1.000 253 K HN 0.064 nan 8.250 nan 0.000 0.468 254 S N 0.565 116.280 115.700 0.024 0.000 3.597 254 S HA -0.067 4.403 4.470 -0.000 0.000 0.206 254 S C 1.406 176.012 174.600 0.011 0.000 0.948 254 S CA 0.631 58.842 58.200 0.018 0.000 0.863 254 S CB -0.196 63.025 63.200 0.035 0.000 1.015 254 S HN 0.704 nan 8.310 nan 0.000 0.616 255 T N -1.176 113.387 114.554 0.015 0.000 3.100 255 T HA 0.197 4.547 4.350 -0.000 0.000 0.253 255 T C 0.538 175.241 174.700 0.004 0.000 1.118 255 T CA 1.151 63.256 62.100 0.009 0.000 1.058 255 T CB -0.052 68.822 68.868 0.010 0.000 0.953 255 T HN 0.323 nan 8.240 nan 0.000 0.515 256 D N 0.663 121.066 120.400 0.005 0.000 2.623 256 D HA 0.224 4.864 4.640 -0.000 0.000 0.252 256 D C -0.018 176.278 176.300 -0.007 0.000 1.294 256 D CA -0.471 53.529 54.000 -0.000 0.000 0.824 256 D CB 0.154 40.957 40.800 0.006 0.000 1.070 256 D HN 0.276 nan 8.370 nan 0.000 0.487 257 K N 0.485 120.879 120.400 -0.010 0.000 2.414 257 K HA 0.054 4.374 4.320 -0.000 0.000 0.272 257 K C 0.283 176.866 176.600 -0.029 0.000 0.993 257 K CA -0.381 55.895 56.287 -0.019 0.000 0.964 257 K CB 0.424 32.914 32.500 -0.018 0.000 0.925 257 K HN 0.074 nan 8.250 nan 0.000 0.487 258 N N 2.487 121.161 118.700 -0.044 0.000 2.415 258 N HA -0.004 4.736 4.740 -0.000 0.000 0.250 258 N C 0.684 176.161 175.510 -0.056 0.000 1.127 258 N CA 0.095 53.108 53.050 -0.062 0.000 0.945 258 N CB 0.642 39.070 38.487 -0.098 0.000 1.196 258 N HN 0.558 nan 8.380 nan 0.000 0.499 259 V N 2.920 122.808 119.914 -0.044 0.000 3.026 259 V HA -0.156 3.964 4.120 -0.000 0.000 0.265 259 V C 1.507 177.576 176.094 -0.042 0.000 1.121 259 V CA 1.622 63.901 62.300 -0.035 0.000 1.142 259 V CB -0.281 31.526 31.823 -0.027 0.000 0.730 259 V HN 0.589 nan 8.190 nan 0.000 0.503 260 N N -0.500 118.165 118.700 -0.060 0.000 2.250 260 N HA 0.295 5.035 4.740 -0.000 0.000 0.190 260 N C 0.985 176.437 175.510 -0.095 0.000 1.116 260 N CA 0.954 53.964 53.050 -0.065 0.000 0.881 260 N CB 0.394 38.842 38.487 -0.065 0.000 1.006 260 N HN 0.611 nan 8.380 nan 0.000 0.491 261 M N 1.098 120.619 119.600 -0.131 0.000 2.356 261 M HA 0.178 4.658 4.480 -0.000 0.000 0.348 261 M C 0.063 176.252 176.300 -0.185 0.000 1.595 261 M CA 0.629 55.796 55.300 -0.223 0.000 1.095 261 M CB -1.191 31.256 32.600 -0.254 0.000 1.963 261 M HN 0.011 nan 8.290 nan 0.000 0.459 262 E N 1.890 121.965 120.200 -0.208 0.000 2.272 262 E HA 0.632 4.982 4.350 -0.000 0.000 0.269 262 E C -1.842 174.648 176.600 -0.182 0.000 0.877 262 E CA -0.616 55.726 56.400 -0.097 0.000 0.755 262 E CB 2.178 31.867 29.700 -0.019 0.000 1.192 262 E HN 0.791 nan 8.360 nan 0.000 0.422 263 Y N 1.415 121.688 120.300 -0.044 0.000 2.387 263 Y HA 0.309 4.859 4.550 -0.000 0.000 0.330 263 Y C 0.933 176.878 175.900 0.076 0.000 1.133 263 Y CA -1.068 57.015 58.100 -0.029 0.000 1.152 263 Y CB 0.843 39.182 38.460 -0.202 0.000 1.215 263 Y HN 0.441 nan 8.280 nan 0.000 0.466 264 I N 0.384 121.168 120.570 0.356 0.000 2.948 264 I HA 0.064 4.234 4.170 -0.000 0.000 0.290 264 I C 0.459 176.652 176.117 0.126 0.000 1.226 264 I CA -0.271 61.160 61.300 0.219 0.000 1.413 264 I CB 0.750 38.871 38.000 0.200 0.000 1.352 264 I HN 0.581 nan 8.210 nan 0.000 0.597 265 K N 2.590 123.015 120.400 0.041 0.000 2.354 265 K HA 0.254 4.574 4.320 -0.000 0.000 0.194 265 K C -0.260 176.059 176.600 -0.468 0.000 1.038 265 K CA 0.301 56.467 56.287 -0.202 0.000 1.052 265 K CB 0.155 32.504 32.500 -0.252 0.000 0.861 265 K HN 0.679 nan 8.250 nan 0.000 0.535 266 H N -0.077 119.030 119.070 0.061 0.000 2.865 266 H HA 0.281 4.837 4.556 -0.000 0.000 0.362 266 H C -1.415 173.955 175.328 0.070 0.000 1.114 266 H CA -0.988 55.095 56.048 0.058 0.000 1.208 266 H CB 2.169 31.967 29.762 0.059 0.000 1.727 266 H HN -0.120 nan 8.280 nan 0.000 0.534 267 L N 1.914 123.249 121.223 0.186 0.000 2.349 267 L HA 0.626 4.966 4.340 -0.000 0.000 0.278 267 L C -0.179 176.778 176.870 0.145 0.000 0.996 267 L CA -0.178 54.755 54.840 0.156 0.000 0.825 267 L CB 1.612 43.769 42.059 0.163 0.000 1.243 267 L HN 0.757 nan 8.230 nan 0.000 0.412 268 G N 4.223 113.116 108.800 0.154 0.000 2.379 268 G HA2 0.625 4.585 3.960 -0.000 0.000 0.327 268 G HA3 0.625 4.585 3.960 -0.000 0.000 0.327 268 G C -1.566 173.425 174.900 0.152 0.000 1.145 268 G CA -0.478 44.719 45.100 0.162 0.000 0.905 268 G HN 0.507 nan 8.290 nan 0.000 0.466 269 V N 2.255 122.205 119.914 0.060 0.000 2.577 269 V HA 0.370 4.490 4.120 -0.000 0.000 0.303 269 V C -1.318 174.796 176.094 0.034 0.000 1.042 269 V CA -0.817 61.568 62.300 0.141 0.000 0.872 269 V CB 1.360 33.302 31.823 0.199 0.000 0.998 269 V HN 0.687 nan 8.190 nan 0.000 0.423 270 Y N 5.057 125.450 120.300 0.155 0.000 2.331 270 Y HA 0.788 5.338 4.550 -0.000 0.000 0.338 270 Y C 0.009 175.946 175.900 0.062 0.000 0.992 270 Y CA -0.505 57.668 58.100 0.121 0.000 1.121 270 Y CB 1.878 40.394 38.460 0.094 0.000 1.184 270 Y HN 0.595 nan 8.280 nan 0.000 0.469 271 I N 1.500 122.113 120.570 0.072 0.000 2.918 271 I HA 0.517 4.687 4.170 -0.000 0.000 0.301 271 I C -0.636 175.443 176.117 -0.064 0.000 1.312 271 I CA -0.580 60.643 61.300 -0.128 0.000 1.007 271 I CB 1.612 39.218 38.000 -0.656 0.000 1.281 271 I HN 0.780 nan 8.210 nan 0.000 0.440 272 N N 3.611 122.283 118.700 -0.046 0.000 2.492 272 N HA 0.194 4.934 4.740 -0.000 0.000 0.260 272 N C 0.159 175.706 175.510 0.061 0.000 1.215 272 N CA 0.400 53.464 53.050 0.024 0.000 0.923 272 N CB -0.056 38.455 38.487 0.042 0.000 1.092 272 N HN 0.801 nan 8.380 nan 0.000 0.448 273 N N -1.054 117.684 118.700 0.063 0.000 2.725 273 N HA -0.225 4.515 4.740 -0.000 0.000 0.251 273 N C 1.373 176.940 175.510 0.096 0.000 1.031 273 N CA 0.814 53.902 53.050 0.062 0.000 0.720 273 N CB -1.529 36.985 38.487 0.045 0.000 0.930 273 N HN 1.089 nan 8.380 nan 0.000 0.543 274 A N 0.430 123.278 122.820 0.047 0.000 1.927 274 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 274 A C 1.862 179.441 177.584 -0.009 0.000 1.185 274 A CA 2.069 54.108 52.037 0.003 0.000 0.639 274 A CB -0.178 18.796 19.000 -0.043 0.000 0.820 274 A HN 0.379 nan 8.150 nan 0.000 0.451 275 D N -0.729 119.654 120.400 -0.028 0.000 2.182 275 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 275 D C 2.205 178.450 176.300 -0.092 0.000 0.986 275 D CA 1.941 55.910 54.000 -0.052 0.000 0.847 275 D CB -0.488 40.286 40.800 -0.042 0.000 0.942 275 D HN 0.686 nan 8.370 nan 0.000 0.467 276 T N -2.701 111.761 114.554 -0.153 0.000 3.055 276 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 276 T C 1.713 176.174 174.700 -0.397 0.000 1.111 276 T CA 0.505 62.437 62.100 -0.281 0.000 1.118 276 T CB -0.355 68.287 68.868 -0.376 0.000 0.909 276 T HN 0.123 nan 8.240 nan 0.000 0.501 277 Y N 1.179 121.322 120.300 -0.261 0.000 2.497 277 Y HA 0.425 4.975 4.550 -0.000 0.000 0.265 277 Y C 2.432 178.216 175.900 -0.194 0.000 1.111 277 Y CA -0.294 57.571 58.100 -0.393 0.000 1.288 277 Y CB 0.101 38.000 38.460 -0.934 0.000 1.082 277 Y HN 0.135 nan 8.280 nan 0.000 0.536 278 K N 0.545 120.940 120.400 -0.008 0.000 2.103 278 K HA -0.262 4.058 4.320 -0.000 0.000 0.207 278 K C 1.861 178.491 176.600 0.049 0.000 1.048 278 K CA 1.794 58.094 56.287 0.021 0.000 0.930 278 K CB -0.129 32.356 32.500 -0.025 0.000 0.716 278 K HN 0.369 nan 8.250 nan 0.000 0.444 279 E N 0.853 121.062 120.200 0.014 0.000 2.160 279 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 279 E C 1.586 178.214 176.600 0.048 0.000 0.991 279 E CA 1.037 57.445 56.400 0.013 0.000 0.810 279 E CB 0.233 29.918 29.700 -0.025 0.000 0.742 279 E HN 0.227 nan 8.360 nan 0.000 0.466 280 E N -0.040 120.228 120.200 0.113 0.000 2.274 280 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 280 E C 2.168 178.858 176.600 0.150 0.000 0.996 280 E CA 0.384 56.878 56.400 0.157 0.000 0.840 280 E CB 0.015 29.931 29.700 0.361 0.000 0.772 280 E HN 0.207 nan 8.360 nan 0.000 0.491 281 V N 1.990 122.018 119.914 0.191 0.000 2.237 281 V HA -0.224 3.896 4.120 -0.000 0.000 0.245 281 V C 2.189 178.372 176.094 0.149 0.000 1.046 281 V CA 1.810 64.213 62.300 0.171 0.000 1.007 281 V CB -0.316 31.609 31.823 0.169 0.000 0.638 281 V HN 0.167 nan 8.190 nan 0.000 0.445 282 E N -0.225 120.039 120.200 0.107 0.000 2.285 282 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 282 E C 2.104 178.758 176.600 0.090 0.000 0.997 282 E CA 0.628 57.091 56.400 0.105 0.000 0.845 282 E CB -0.164 29.580 29.700 0.074 0.000 0.782 282 E HN 0.578 nan 8.360 nan 0.000 0.491 283 K N 1.020 121.433 120.400 0.021 0.000 2.057 283 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 283 K C 2.081 178.620 176.600 -0.102 0.000 1.049 283 K CA 1.154 57.380 56.287 -0.102 0.000 0.931 283 K CB -0.029 32.343 32.500 -0.215 0.000 0.714 283 K HN 0.045 nan 8.250 nan 0.000 0.440 284 A N 1.358 124.181 122.820 0.004 0.000 1.908 284 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 284 A C 2.118 179.928 177.584 0.377 0.000 1.181 284 A CA 1.861 53.965 52.037 0.111 0.000 0.627 284 A CB -0.589 18.411 19.000 -0.000 0.000 0.818 284 A HN 0.380 nan 8.150 nan 0.000 0.445 285 R N -0.529 120.219 120.500 0.413 0.000 2.081 285 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 285 R C 1.872 178.474 176.300 0.503 0.000 1.131 285 R CA 1.827 58.186 56.100 0.432 0.000 0.960 285 R CB -0.578 29.844 30.300 0.204 0.000 0.856 285 R HN 0.277 nan 8.270 nan 0.000 0.436 286 V N -0.160 120.016 119.914 0.437 0.000 2.307 286 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 286 V C 1.914 178.407 176.094 0.666 0.000 1.045 286 V CA 1.644 64.280 62.300 0.561 0.000 1.024 286 V CB -0.665 31.380 31.823 0.370 0.000 0.651 286 V HN 0.316 nan 8.190 nan 0.000 0.449 287 Y N -0.405 120.075 120.300 0.301 0.000 2.242 287 Y HA -0.208 4.342 4.550 0.000 0.000 0.291 287 Y C 2.470 178.507 175.900 0.229 0.000 1.137 287 Y CA 1.115 59.349 58.100 0.224 0.000 1.181 287 Y CB -1.174 37.383 38.460 0.162 0.000 0.989 287 Y HN 0.469 nan 8.280 nan 0.000 0.527 288 Y N -0.534 120.004 120.300 0.397 0.000 2.097 288 Y HA -0.324 4.226 4.550 -0.000 0.000 0.282 288 Y C 2.305 178.398 175.900 0.322 0.000 1.152 288 Y CA 1.653 59.952 58.100 0.331 0.000 1.136 288 Y CB -1.276 37.423 38.460 0.399 0.000 0.975 288 Y HN 0.041 nan 8.280 nan 0.000 0.498 289 F N 1.142 120.913 119.950 -0.299 0.000 2.186 289 F HA 0.028 4.555 4.527 -0.000 0.000 0.299 289 F C 2.434 178.069 175.800 -0.274 0.000 1.090 289 F CA 1.699 59.402 58.000 -0.495 0.000 1.307 289 F CB -0.887 37.943 39.000 -0.283 0.000 1.019 289 F HN 0.150 nan 8.300 nan 0.000 0.489 290 G N -0.914 107.846 108.800 -0.066 0.000 2.446 290 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 290 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 290 G C 1.667 176.480 174.900 -0.145 0.000 1.168 290 G CA 1.468 46.552 45.100 -0.027 0.000 0.771 290 G HN 0.376 nan 8.290 nan 0.000 0.551 291 T N -0.360 114.122 114.554 -0.120 0.000 2.777 291 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 291 T C 2.014 176.679 174.700 -0.059 0.000 1.040 291 T CA 1.272 63.299 62.100 -0.122 0.000 1.141 291 T CB -0.309 68.454 68.868 -0.175 0.000 0.868 291 T HN 0.317 nan 8.240 nan 0.000 0.444 292 Y N 0.627 120.789 120.300 -0.229 0.000 2.200 292 Y HA -0.119 4.431 4.550 -0.000 0.000 0.290 292 Y C 2.225 177.894 175.900 -0.384 0.000 1.137 292 Y CA 0.634 58.619 58.100 -0.191 0.000 1.163 292 Y CB -0.606 37.603 38.460 -0.418 0.000 0.988 292 Y HN 0.283 nan 8.280 nan 0.000 0.518 293 Y N 0.297 120.041 120.300 -0.927 0.000 2.081 293 Y HA -0.303 4.247 4.550 -0.000 0.000 0.280 293 Y C 2.513 178.117 175.900 -0.492 0.000 1.163 293 Y CA 2.170 59.740 58.100 -0.883 0.000 1.135 293 Y CB -0.919 36.921 38.460 -1.033 0.000 0.970 293 Y HN 0.135 nan 8.280 nan 0.000 0.498 294 A N -0.888 121.780 122.820 -0.253 0.000 1.917 294 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 294 A C 2.503 179.948 177.584 -0.232 0.000 1.182 294 A CA 2.211 54.129 52.037 -0.198 0.000 0.633 294 A CB -1.502 17.456 19.000 -0.069 0.000 0.819 294 A HN 0.552 nan 8.150 nan 0.000 0.448 295 S N -0.888 114.674 115.700 -0.230 0.000 2.368 295 S HA -0.237 4.233 4.470 -0.000 0.000 0.225 295 S C 2.152 176.577 174.600 -0.292 0.000 1.030 295 S CA 1.689 59.787 58.200 -0.169 0.000 0.999 295 S CB -0.415 62.760 63.200 -0.043 0.000 0.844 295 S HN 0.679 nan 8.310 nan 0.000 0.459 296 Q N 0.179 119.655 119.800 -0.540 0.000 2.096 296 Q HA -0.074 4.266 4.340 -0.000 0.000 0.204 296 Q C 2.279 178.095 176.000 -0.306 0.000 0.982 296 Q CA 1.636 57.149 55.803 -0.483 0.000 0.850 296 Q CB -0.301 28.048 28.738 -0.648 0.000 0.901 296 Q HN 0.551 nan 8.270 nan 0.000 0.422 297 L N -0.037 120.963 121.223 -0.371 0.000 2.027 297 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 297 L C 2.313 179.121 176.870 -0.103 0.000 1.074 297 L CA 0.915 55.601 54.840 -0.255 0.000 0.745 297 L CB -0.414 41.451 42.059 -0.324 0.000 0.898 297 L HN 0.228 nan 8.230 nan 0.000 0.433 298 I N 0.205 120.737 120.570 -0.062 0.000 2.179 298 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 298 I C 2.794 178.992 176.117 0.136 0.000 1.088 298 I CA 1.276 62.617 61.300 0.070 0.000 1.357 298 I CB -0.488 37.599 38.000 0.144 0.000 1.051 298 I HN 0.179 nan 8.210 nan 0.000 0.409 299 A N 0.920 123.808 122.820 0.112 0.000 1.969 299 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 299 A C 1.629 179.215 177.584 0.004 0.000 1.169 299 A CA 0.798 52.920 52.037 0.142 0.000 0.635 299 A CB -0.752 18.308 19.000 0.100 0.000 0.810 299 A HN 0.356 nan 8.150 nan 0.000 0.445 300 A N 1.072 123.892 122.820 0.001 0.000 2.548 300 A HA 0.435 4.755 4.320 -0.000 0.000 0.247 300 A C -2.228 175.285 177.584 -0.119 0.000 1.067 300 A CA -0.782 51.219 52.037 -0.060 0.000 0.757 300 A CB -0.440 18.604 19.000 0.073 0.000 0.996 300 A HN 0.296 nan 8.150 nan 0.000 0.504 301 P HA 0.157 nan 4.420 nan 0.000 0.272 301 P C 0.814 178.118 177.300 0.006 0.000 1.240 301 P CA -0.246 62.788 63.100 -0.110 0.000 0.791 301 P CB 0.583 32.190 31.700 -0.154 0.000 0.978 302 S N 0.396 116.090 115.700 -0.010 0.000 2.474 302 S HA -0.120 4.350 4.470 -0.000 0.000 0.235 302 S C 1.427 175.994 174.600 -0.055 0.000 0.997 302 S CA 0.998 59.191 58.200 -0.012 0.000 0.949 302 S CB -0.908 62.291 63.200 -0.002 0.000 0.766 302 S HN 0.640 nan 8.310 nan 0.000 0.517 303 N N 0.364 119.038 118.700 -0.044 0.000 2.416 303 N HA -0.070 4.670 4.740 -0.000 0.000 0.177 303 N C 1.108 176.533 175.510 -0.142 0.000 1.036 303 N CA 0.798 53.801 53.050 -0.078 0.000 0.901 303 N CB -0.462 37.961 38.487 -0.107 0.000 0.976 303 N HN 0.449 nan 8.380 nan 0.000 0.444 304 Y N 0.572 120.840 120.300 -0.052 0.000 2.301 304 Y HA 0.205 4.755 4.550 -0.000 0.000 0.295 304 Y C 1.133 177.002 175.900 -0.050 0.000 1.126 304 Y CA 0.305 58.402 58.100 -0.005 0.000 1.154 304 Y CB 0.028 38.538 38.460 0.083 0.000 1.075 304 Y HN 0.117 nan 8.280 nan 0.000 0.534 305 C N 3.086 122.442 119.300 0.093 0.000 2.206 305 C HA 0.513 4.973 4.460 -0.000 0.000 0.324 305 C C -0.391 174.538 174.990 -0.101 0.000 1.120 305 C CA -0.774 58.245 59.018 0.001 0.000 1.546 305 C CB -2.498 25.252 27.740 0.017 0.000 2.023 305 C HN 0.578 nan 8.230 nan 0.000 0.448 306 N N 4.172 122.744 118.700 -0.213 0.000 2.761 306 N HA 0.655 5.395 4.740 -0.000 0.000 0.283 306 N C -2.603 172.747 175.510 -0.268 0.000 1.377 306 N CA -1.621 51.178 53.050 -0.417 0.000 0.791 306 N CB 0.783 38.590 38.487 -1.132 0.000 1.540 306 N HN 0.042 nan 8.380 nan 0.000 0.539 307 P HA -0.120 nan 4.420 nan 0.000 0.216 307 P C 1.045 178.341 177.300 -0.006 0.000 1.150 307 P CA 0.881 63.960 63.100 -0.035 0.000 0.837 307 P CB 0.199 31.936 31.700 0.060 0.000 0.786 308 V N 0.265 120.166 119.914 -0.023 0.000 2.283 308 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 308 V C 2.538 178.638 176.094 0.010 0.000 1.039 308 V CA 2.442 64.761 62.300 0.032 0.000 1.016 308 V CB -1.804 30.071 31.823 0.087 0.000 0.650 308 V HN 0.247 nan 8.190 nan 0.000 0.449 309 S N -0.097 115.583 115.700 -0.033 0.000 2.419 309 S HA -0.130 4.340 4.470 -0.000 0.000 0.233 309 S C 2.022 176.623 174.600 0.002 0.000 1.016 309 S CA 1.416 59.611 58.200 -0.007 0.000 0.974 309 S CB -0.525 62.665 63.200 -0.016 0.000 0.786 309 S HN 0.484 nan 8.310 nan 0.000 0.492 310 L N 1.848 123.062 121.223 -0.015 0.000 2.044 310 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 310 L C 2.896 179.781 176.870 0.025 0.000 1.075 310 L CA 1.681 56.519 54.840 -0.005 0.000 0.747 310 L CB -0.662 41.386 42.059 -0.020 0.000 0.903 310 L HN 0.623 nan 8.230 nan 0.000 0.435 311 S N -0.692 115.029 115.700 0.034 0.000 2.402 311 S HA -0.145 4.324 4.470 -0.000 0.000 0.229 311 S C 1.638 176.271 174.600 0.055 0.000 1.021 311 S CA 1.056 59.292 58.200 0.059 0.000 0.974 311 S CB -0.524 62.727 63.200 0.084 0.000 0.800 311 S HN 0.440 nan 8.310 nan 0.000 0.484 312 N N 2.742 121.470 118.700 0.047 0.000 2.120 312 N HA 0.094 4.833 4.740 -0.000 0.000 0.188 312 N C 1.971 177.505 175.510 0.039 0.000 1.024 312 N CA 1.497 54.571 53.050 0.040 0.000 0.852 312 N CB -0.975 37.538 38.487 0.044 0.000 1.003 312 N HN 0.608 nan 8.380 nan 0.000 0.424 313 A N 0.904 123.759 122.820 0.059 0.000 1.902 313 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 313 A C 2.341 180.001 177.584 0.127 0.000 1.181 313 A CA 1.900 54.000 52.037 0.104 0.000 0.623 313 A CB -0.831 18.220 19.000 0.085 0.000 0.818 313 A HN 0.310 nan 8.150 nan 0.000 0.443 314 A N -0.603 122.272 122.820 0.092 0.000 1.933 314 A HA -0.002 4.318 4.320 -0.000 0.000 0.218 314 A C 2.223 179.791 177.584 -0.026 0.000 1.175 314 A CA 1.749 53.832 52.037 0.077 0.000 0.628 314 A CB -0.890 18.160 19.000 0.083 0.000 0.814 314 A HN 0.376 nan 8.150 nan 0.000 0.444 315 V N 0.020 119.876 119.914 -0.097 0.000 2.343 315 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 315 V C 2.548 178.439 176.094 -0.338 0.000 1.051 315 V CA 2.373 64.454 62.300 -0.365 0.000 1.036 315 V CB -0.641 31.008 31.823 -0.291 0.000 0.654 315 V HN 0.801 nan 8.190 nan 0.000 0.451 316 E N -0.244 119.880 120.200 -0.127 0.000 2.077 316 E HA -0.254 4.096 4.350 -0.000 0.000 0.193 316 E C 2.195 178.760 176.600 -0.059 0.000 0.989 316 E CA 1.369 57.728 56.400 -0.068 0.000 0.800 316 E CB -0.118 29.607 29.700 0.041 0.000 0.746 316 E HN 0.444 nan 8.360 nan 0.000 0.452 317 L N 0.998 122.227 121.223 0.010 0.000 1.989 317 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 317 L C 2.330 179.160 176.870 -0.067 0.000 1.071 317 L CA 2.347 57.184 54.840 -0.005 0.000 0.749 317 L CB -0.770 41.297 42.059 0.013 0.000 0.890 317 L HN 0.190 nan 8.230 nan 0.000 0.431 318 A N -1.240 121.520 122.820 -0.100 0.000 1.902 318 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 318 A C 2.174 179.736 177.584 -0.037 0.000 1.181 318 A CA 1.890 53.892 52.037 -0.059 0.000 0.623 318 A CB -0.638 18.329 19.000 -0.056 0.000 0.818 318 A HN 0.671 nan 8.150 nan 0.000 0.443 319 Q N -0.325 119.395 119.800 -0.133 0.000 2.096 319 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 319 Q C 2.033 178.007 176.000 -0.043 0.000 0.982 319 Q CA 1.865 57.637 55.803 -0.051 0.000 0.850 319 Q CB -0.219 28.467 28.738 -0.088 0.000 0.901 319 Q HN 0.653 nan 8.270 nan 0.000 0.422 320 K N 0.214 120.562 120.400 -0.087 0.000 2.211 320 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 320 K C 1.636 178.197 176.600 -0.066 0.000 1.050 320 K CA 0.807 57.029 56.287 -0.108 0.000 0.945 320 K CB 0.126 32.506 32.500 -0.199 0.000 0.732 320 K HN 0.184 nan 8.250 nan 0.000 0.451 321 L N 0.308 121.507 121.223 -0.039 0.000 2.607 321 L HA 0.100 4.440 4.340 -0.000 0.000 0.228 321 L C 0.142 177.024 176.870 0.021 0.000 1.123 321 L CA -0.173 54.653 54.840 -0.024 0.000 0.890 321 L CB -0.118 41.916 42.059 -0.041 0.000 1.103 321 L HN 0.244 nan 8.230 nan 0.000 0.468 322 N N 1.319 120.041 118.700 0.036 0.000 2.758 322 N HA -0.158 4.582 4.740 -0.000 0.000 0.248 322 N C -0.333 175.239 175.510 0.104 0.000 1.076 322 N CA 0.427 53.518 53.050 0.068 0.000 0.696 322 N CB -0.845 37.671 38.487 0.048 0.000 0.979 322 N HN 0.274 nan 8.380 nan 0.000 0.550 323 L N 0.650 121.953 121.223 0.132 0.000 2.375 323 L HA 0.265 4.605 4.340 -0.000 0.000 0.271 323 L C 1.075 178.079 176.870 0.223 0.000 1.107 323 L CA -0.498 54.448 54.840 0.175 0.000 0.806 323 L CB 0.673 42.832 42.059 0.167 0.000 1.146 323 L HN -0.043 nan 8.230 nan 0.000 0.447 324 E N 1.835 122.131 120.200 0.159 0.000 2.383 324 E HA 0.247 4.597 4.350 -0.000 0.000 0.264 324 E C -1.134 175.582 176.600 0.194 0.000 1.050 324 E CA 0.171 56.625 56.400 0.091 0.000 0.896 324 E CB 1.086 30.790 29.700 0.007 0.000 0.982 324 E HN 0.423 nan 8.360 nan 0.000 0.424 325 Y N -1.523 118.802 120.300 0.042 0.000 2.581 325 Y HA 0.617 5.167 4.550 -0.000 0.000 0.337 325 Y C -0.980 174.949 175.900 0.049 0.000 1.108 325 Y CA -1.264 56.875 58.100 0.064 0.000 1.033 325 Y CB 1.664 40.175 38.460 0.085 0.000 1.318 325 Y HN 0.369 nan 8.280 nan 0.000 0.459 326 K N 3.319 123.854 120.400 0.225 0.000 2.550 326 K HA 0.576 4.896 4.320 -0.000 0.000 0.252 326 K C -2.239 174.536 176.600 0.291 0.000 0.943 326 K CA -0.641 55.746 56.287 0.168 0.000 0.806 326 K CB 1.620 34.157 32.500 0.061 0.000 1.289 326 K HN 0.757 nan 8.250 nan 0.000 0.435 327 I N 5.034 125.766 120.570 0.270 0.000 2.354 327 I HA 0.297 4.467 4.170 -0.000 0.000 0.292 327 I C -0.629 175.615 176.117 0.210 0.000 0.989 327 I CA -0.964 60.489 61.300 0.255 0.000 1.188 327 I CB 0.955 39.086 38.000 0.217 0.000 1.342 327 I HN 0.536 nan 8.210 nan 0.000 0.457 328 L N 5.784 127.146 121.223 0.231 0.000 2.275 328 L HA 0.600 4.940 4.340 -0.000 0.000 0.288 328 L C 0.922 177.895 176.870 0.171 0.000 1.046 328 L CA 0.155 55.094 54.840 0.164 0.000 0.805 328 L CB 1.137 43.248 42.059 0.086 0.000 1.193 328 L HN 0.709 nan 8.230 nan 0.000 0.426 329 G N 1.937 110.809 108.800 0.120 0.000 2.535 329 G HA2 0.439 4.399 3.960 -0.000 0.000 0.303 329 G HA3 0.439 4.399 3.960 -0.000 0.000 0.303 329 G C 0.984 175.924 174.900 0.067 0.000 1.237 329 G CA -0.611 44.547 45.100 0.097 0.000 0.986 329 G HN 0.390 nan 8.290 nan 0.000 0.494 330 V N 0.621 120.557 119.914 0.037 0.000 2.278 330 V HA -0.208 3.912 4.120 -0.000 0.000 0.251 330 V C 2.926 179.026 176.094 0.009 0.000 1.062 330 V CA 2.049 64.350 62.300 0.001 0.000 1.038 330 V CB -0.425 31.390 31.823 -0.013 0.000 0.646 330 V HN 0.572 nan 8.190 nan 0.000 0.447 331 K N 0.120 120.532 120.400 0.019 0.000 2.057 331 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 331 K C 2.058 178.671 176.600 0.022 0.000 1.049 331 K CA 1.678 57.976 56.287 0.018 0.000 0.931 331 K CB -0.402 32.110 32.500 0.020 0.000 0.714 331 K HN 0.641 nan 8.250 nan 0.000 0.440 332 E N 0.874 121.093 120.200 0.032 0.000 2.106 332 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 332 E C 2.182 178.800 176.600 0.031 0.000 0.984 332 E CA 0.725 57.145 56.400 0.035 0.000 0.806 332 E CB -0.174 29.554 29.700 0.047 0.000 0.750 332 E HN 0.172 nan 8.360 nan 0.000 0.458 333 L N 0.900 122.143 121.223 0.034 0.000 2.093 333 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 333 L C 2.307 179.192 176.870 0.025 0.000 1.085 333 L CA 1.188 56.051 54.840 0.038 0.000 0.755 333 L CB -0.354 41.735 42.059 0.050 0.000 0.904 333 L HN 0.117 nan 8.230 nan 0.000 0.435 334 E N 0.248 120.455 120.200 0.011 0.000 2.051 334 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 334 E C 2.419 179.028 176.600 0.016 0.000 0.991 334 E CA 1.455 57.860 56.400 0.008 0.000 0.799 334 E CB -0.134 29.568 29.700 0.002 0.000 0.748 334 E HN 0.600 nan 8.360 nan 0.000 0.449 335 E N 1.255 121.465 120.200 0.017 0.000 2.085 335 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 335 E C 1.864 178.477 176.600 0.020 0.000 0.994 335 E CA 1.302 57.712 56.400 0.017 0.000 0.801 335 E CB -0.970 28.740 29.700 0.017 0.000 0.743 335 E HN 0.214 nan 8.360 nan 0.000 0.453 336 L N -0.569 120.669 121.223 0.026 0.000 2.610 336 L HA 0.093 4.433 4.340 -0.000 0.000 0.232 336 L C 0.531 177.424 176.870 0.039 0.000 1.149 336 L CA 0.624 55.483 54.840 0.032 0.000 0.872 336 L CB -0.118 41.967 42.059 0.044 0.000 0.992 336 L HN 0.296 nan 8.230 nan 0.000 0.447 337 K N -0.359 120.062 120.400 0.035 0.000 3.117 337 K HA -0.198 4.122 4.320 -0.000 0.000 0.269 337 K C 0.095 176.728 176.600 0.055 0.000 1.098 337 K CA 0.557 56.867 56.287 0.039 0.000 0.785 337 K CB -1.529 30.992 32.500 0.036 0.000 1.242 337 K HN 0.327 nan 8.250 nan 0.000 0.491 338 M N 0.601 120.241 119.600 0.067 0.000 3.706 338 M HA 0.032 4.512 4.480 -0.000 0.000 0.204 338 M C 1.698 178.048 176.300 0.082 0.000 1.455 338 M CA 0.439 55.803 55.300 0.107 0.000 1.659 338 M CB 0.169 32.883 32.600 0.191 0.000 1.076 338 M HN 0.430 nan 8.290 nan 0.000 0.577 339 G N 0.389 109.223 108.800 0.057 0.000 2.443 339 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.219 339 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.219 339 G C 1.478 176.391 174.900 0.023 0.000 1.131 339 G CA 1.014 46.133 45.100 0.032 0.000 0.775 339 G HN 0.649 nan 8.290 nan 0.000 0.547 340 A N 0.225 123.075 122.820 0.048 0.000 1.854 340 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 340 A C 2.211 179.809 177.584 0.023 0.000 1.192 340 A CA 1.604 53.658 52.037 0.028 0.000 0.611 340 A CB -0.730 18.278 19.000 0.014 0.000 0.832 340 A HN 0.402 nan 8.150 nan 0.000 0.442 341 Y N 0.743 121.003 120.300 -0.067 0.000 2.181 341 Y HA -0.116 4.434 4.550 -0.000 0.000 0.288 341 Y C 1.840 177.695 175.900 -0.075 0.000 1.146 341 Y CA 1.581 59.646 58.100 -0.059 0.000 1.164 341 Y CB -0.581 37.887 38.460 0.012 0.000 0.982 341 Y HN 0.194 nan 8.280 nan 0.000 0.515 342 L N -0.835 120.272 121.223 -0.194 0.000 2.141 342 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 342 L C 2.500 179.229 176.870 -0.235 0.000 1.094 342 L CA 1.328 55.980 54.840 -0.312 0.000 0.763 342 L CB -0.655 41.285 42.059 -0.197 0.000 0.908 342 L HN 0.089 nan 8.230 nan 0.000 0.437 343 S N -0.442 115.131 115.700 -0.211 0.000 2.370 343 S HA -0.159 4.311 4.470 -0.000 0.000 0.226 343 S C 2.055 176.304 174.600 -0.586 0.000 1.033 343 S CA 1.279 59.303 58.200 -0.294 0.000 1.011 343 S CB -0.278 62.766 63.200 -0.261 0.000 0.852 343 S HN 0.179 nan 8.310 nan 0.000 0.457 344 V N 1.432 120.965 119.914 -0.636 0.000 2.407 344 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 344 V C 2.447 178.401 176.094 -0.233 0.000 1.055 344 V CA 1.940 63.879 62.300 -0.602 0.000 1.049 344 V CB -1.239 30.424 31.823 -0.267 0.000 0.662 344 V HN 0.607 nan 8.190 nan 0.000 0.455 345 G N -1.137 107.555 108.800 -0.181 0.000 2.813 345 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.209 345 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.209 345 G C 1.499 176.369 174.900 -0.049 0.000 1.150 345 G CA 0.047 45.095 45.100 -0.087 0.000 0.785 345 G HN 0.440 nan 8.290 nan 0.000 0.535 346 K N 0.207 120.571 120.400 -0.060 0.000 2.074 346 K HA -0.092 4.228 4.320 -0.000 0.000 0.209 346 K C 2.454 179.077 176.600 0.039 0.000 1.048 346 K CA 1.214 57.497 56.287 -0.007 0.000 0.926 346 K CB -0.177 32.336 32.500 0.021 0.000 0.713 346 K HN 0.261 nan 8.250 nan 0.000 0.444 347 G N 0.155 109.004 108.800 0.081 0.000 2.920 347 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.208 347 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.208 347 G C 0.205 175.138 174.900 0.055 0.000 1.159 347 G CA -0.163 44.991 45.100 0.090 0.000 0.784 347 G HN 0.158 nan 8.290 nan 0.000 0.535 348 S N 0.056 115.785 115.700 0.047 0.000 2.585 348 S HA 0.363 4.833 4.470 -0.000 0.000 0.277 348 S C 1.679 176.252 174.600 -0.045 0.000 1.241 348 S CA -0.631 57.595 58.200 0.044 0.000 1.041 348 S CB 0.841 64.118 63.200 0.128 0.000 0.987 348 S HN 0.294 nan 8.310 nan 0.000 0.512 349 M N 2.843 122.333 119.600 -0.183 0.000 2.630 349 M HA 0.189 4.669 4.480 -0.000 0.000 0.254 349 M C -0.939 175.130 176.300 -0.385 0.000 1.092 349 M CA 0.643 55.749 55.300 -0.323 0.000 1.087 349 M CB -0.437 31.878 32.600 -0.476 0.000 1.453 349 M HN 0.521 nan 8.290 nan 0.000 0.509 350 Y N 1.806 122.111 120.300 0.009 0.000 2.328 350 Y HA 0.534 5.084 4.550 -0.000 0.000 0.337 350 Y C -2.285 173.620 175.900 0.008 0.000 1.008 350 Y CA -2.794 55.313 58.100 0.013 0.000 1.129 350 Y CB 0.466 38.940 38.460 0.023 0.000 1.185 350 Y HN -0.012 nan 8.280 nan 0.000 0.476 351 P HA 0.015 nan 4.420 nan 0.000 0.268 351 P C -0.782 176.568 177.300 0.083 0.000 1.205 351 P CA -0.207 62.940 63.100 0.078 0.000 0.771 351 P CB 0.530 32.271 31.700 0.068 0.000 0.858 352 N N 2.786 121.491 118.700 0.009 0.000 2.356 352 N HA 0.033 4.773 4.740 -0.000 0.000 0.252 352 N C -0.021 175.560 175.510 0.118 0.000 1.241 352 N CA 0.735 53.785 53.050 0.001 0.000 0.861 352 N CB 0.028 38.319 38.487 -0.328 0.000 1.075 352 N HN 0.170 nan 8.380 nan 0.000 0.461 353 K N 2.032 122.563 120.400 0.220 0.000 2.507 353 K HA 0.296 4.616 4.320 -0.000 0.000 0.252 353 K C -1.228 175.561 176.600 0.314 0.000 0.943 353 K CA -0.552 55.874 56.287 0.231 0.000 0.808 353 K CB 1.436 34.029 32.500 0.155 0.000 1.142 353 K HN 0.409 nan 8.250 nan 0.000 0.426 354 F N 4.411 124.460 119.950 0.165 0.000 2.385 354 F HA 0.452 4.979 4.527 -0.000 0.000 0.360 354 F C -0.120 175.708 175.800 0.047 0.000 1.122 354 F CA -1.100 56.937 58.000 0.061 0.000 1.090 354 F CB 0.492 39.492 39.000 0.001 0.000 1.150 354 F HN 0.398 nan 8.300 nan 0.000 0.472 355 I N 6.148 126.715 120.570 -0.004 0.000 2.428 355 I HA 0.196 4.366 4.170 -0.000 0.000 0.289 355 I C -0.452 175.832 176.117 0.279 0.000 1.019 355 I CA -0.230 61.157 61.300 0.146 0.000 1.351 355 I CB 0.888 38.921 38.000 0.055 0.000 1.412 355 I HN 0.615 nan 8.210 nan 0.000 0.513 356 H N 6.609 125.865 119.070 0.309 0.000 3.108 356 H HA 0.412 4.968 4.556 -0.000 0.000 0.301 356 H C -1.645 173.911 175.328 0.381 0.000 1.139 356 H CA -0.911 55.369 56.048 0.387 0.000 1.552 356 H CB 0.871 30.909 29.762 0.461 0.000 1.663 356 H HN 0.350 nan 8.280 nan 0.000 0.517 357 L N 3.497 125.090 121.223 0.617 0.000 2.344 357 L HA 0.487 4.827 4.340 -0.000 0.000 0.272 357 L C 0.124 177.383 176.870 0.648 0.000 1.035 357 L CA -0.328 54.818 54.840 0.510 0.000 0.807 357 L CB 1.948 44.240 42.059 0.389 0.000 1.237 357 L HN 0.622 nan 8.230 nan 0.000 0.442 358 T N 1.354 116.179 114.554 0.451 0.000 2.921 358 T HA 0.371 4.721 4.350 -0.000 0.000 0.297 358 T C -1.456 173.443 174.700 0.331 0.000 1.013 358 T CA -0.397 61.907 62.100 0.342 0.000 0.990 358 T CB 1.159 70.121 68.868 0.157 0.000 1.023 358 T HN 0.312 nan 8.240 nan 0.000 0.447 359 Y N 2.696 123.148 120.300 0.253 0.000 2.341 359 Y HA 0.665 5.215 4.550 -0.000 0.000 0.337 359 Y C -0.285 175.637 175.900 0.038 0.000 1.014 359 Y CA -0.814 57.394 58.100 0.181 0.000 1.111 359 Y CB 1.016 39.657 38.460 0.302 0.000 1.194 359 Y HN 0.496 nan 8.280 nan 0.000 0.462 360 K N 4.520 124.488 120.400 -0.720 0.000 2.471 360 K HA 0.452 4.772 4.320 -0.000 0.000 0.252 360 K C -0.973 175.149 176.600 -0.797 0.000 0.938 360 K CA -0.593 55.345 56.287 -0.582 0.000 0.796 360 K CB 1.251 33.592 32.500 -0.266 0.000 1.161 360 K HN 0.823 nan 8.250 nan 0.000 0.425 361 S N 1.879 117.261 115.700 -0.531 0.000 2.573 361 S HA 0.117 4.587 4.470 -0.000 0.000 0.277 361 S C 0.202 174.702 174.600 -0.167 0.000 1.346 361 S CA -0.489 57.556 58.200 -0.259 0.000 1.034 361 S CB 0.818 64.012 63.200 -0.010 0.000 0.879 361 S HN 0.674 nan 8.310 nan 0.000 0.528 362 K N 0.795 121.136 120.400 -0.098 0.000 2.350 362 K HA 0.589 4.909 4.320 -0.000 0.000 0.279 362 K C 0.873 177.452 176.600 -0.034 0.000 1.027 362 K CA -0.041 56.210 56.287 -0.059 0.000 0.969 362 K CB -0.550 31.929 32.500 -0.034 0.000 0.954 362 K HN 1.634 nan 8.250 nan 0.000 0.474 363 G N 0.694 109.475 108.800 -0.031 0.000 2.466 363 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.316 363 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.316 363 G C -1.170 173.717 174.900 -0.022 0.000 1.270 363 G CA -0.324 44.764 45.100 -0.020 0.000 0.982 363 G HN 0.807 nan 8.290 nan 0.000 0.506 364 D N 0.194 120.586 120.400 -0.015 0.000 2.390 364 D HA 0.351 4.991 4.640 -0.000 0.000 0.249 364 D C 0.337 176.628 176.300 -0.015 0.000 1.144 364 D CA 0.177 54.168 54.000 -0.015 0.000 0.880 364 D CB 1.886 42.679 40.800 -0.012 0.000 1.182 364 D HN 0.291 nan 8.370 nan 0.000 0.451 365 V N 4.130 124.032 119.914 -0.019 0.000 2.385 365 V HA 0.046 4.166 4.120 -0.000 0.000 0.269 365 V C 1.283 177.367 176.094 -0.016 0.000 1.043 365 V CA 0.015 62.304 62.300 -0.018 0.000 0.906 365 V CB 1.265 33.074 31.823 -0.023 0.000 0.995 365 V HN 0.454 nan 8.190 nan 0.000 0.467 366 K N 3.015 123.406 120.400 -0.014 0.000 2.335 366 K HA 0.264 4.584 4.320 -0.000 0.000 0.195 366 K C 0.363 176.943 176.600 -0.034 0.000 1.058 366 K CA 0.317 56.591 56.287 -0.021 0.000 0.988 366 K CB 0.437 32.928 32.500 -0.015 0.000 0.880 366 K HN 0.344 nan 8.250 nan 0.000 0.513 367 K N 1.366 121.748 120.400 -0.030 0.000 2.427 367 K HA 0.351 4.671 4.320 -0.000 0.000 0.252 367 K C -1.102 175.484 176.600 -0.024 0.000 0.931 367 K CA -0.471 55.786 56.287 -0.050 0.000 0.793 367 K CB 2.326 34.805 32.500 -0.036 0.000 1.211 367 K HN -0.115 nan 8.250 nan 0.000 0.426 368 K N 2.902 123.285 120.400 -0.029 0.000 2.292 368 K HA 0.579 4.899 4.320 -0.000 0.000 0.257 368 K C -0.409 176.230 176.600 0.066 0.000 0.940 368 K CA -0.599 55.707 56.287 0.032 0.000 0.811 368 K CB 1.567 34.103 32.500 0.060 0.000 1.120 368 K HN 0.435 nan 8.250 nan 0.000 0.428 369 I N 1.684 122.325 120.570 0.117 0.000 2.582 369 I HA 0.380 4.550 4.170 -0.000 0.000 0.292 369 I C -0.769 175.454 176.117 0.177 0.000 1.066 369 I CA -0.917 60.494 61.300 0.186 0.000 1.053 369 I CB 2.191 40.311 38.000 0.199 0.000 1.241 369 I HN 0.607 nan 8.210 nan 0.000 0.421 370 A N 7.474 130.417 122.820 0.205 0.000 2.271 370 A HA 0.796 5.116 4.320 -0.000 0.000 0.317 370 A C -0.801 176.870 177.584 0.145 0.000 1.245 370 A CA -0.451 51.691 52.037 0.174 0.000 0.857 370 A CB 0.553 19.652 19.000 0.166 0.000 1.175 370 A HN 0.675 nan 8.150 nan 0.000 0.512 371 L N 3.402 124.669 121.223 0.074 0.000 2.272 371 L HA 0.521 4.861 4.340 -0.000 0.000 0.289 371 L C -0.766 176.171 176.870 0.112 0.000 1.032 371 L CA -0.768 54.128 54.840 0.094 0.000 0.810 371 L CB 1.485 43.588 42.059 0.074 0.000 1.205 371 L HN 0.395 nan 8.230 nan 0.000 0.422 372 V N 2.143 122.123 119.914 0.111 0.000 2.448 372 V HA 0.679 4.799 4.120 -0.000 0.000 0.295 372 V C 0.426 176.552 176.094 0.054 0.000 1.025 372 V CA -0.484 61.857 62.300 0.070 0.000 0.859 372 V CB 1.739 33.619 31.823 0.096 0.000 0.988 372 V HN 0.866 nan 8.190 nan 0.000 0.431 373 G N 2.810 111.610 108.800 -0.000 0.000 2.461 373 G HA2 0.514 4.474 3.960 -0.000 0.000 0.323 373 G HA3 0.514 4.474 3.960 -0.000 0.000 0.323 373 G C -0.705 174.162 174.900 -0.054 0.000 1.229 373 G CA -0.763 44.337 45.100 -0.001 0.000 0.941 373 G HN 0.692 nan 8.290 nan 0.000 0.477 374 K N 1.044 121.424 120.400 -0.033 0.000 2.416 374 K HA 0.340 4.660 4.320 -0.000 0.000 0.283 374 K C 0.609 177.160 176.600 -0.081 0.000 1.037 374 K CA 0.094 56.345 56.287 -0.061 0.000 0.995 374 K CB 0.414 32.893 32.500 -0.036 0.000 0.938 374 K HN 0.466 nan 8.250 nan 0.000 0.475 375 G N 6.194 114.938 108.800 -0.093 0.000 5.001 375 G HA2 0.246 4.206 3.960 -0.000 0.000 0.304 375 G HA3 0.246 4.206 3.960 -0.000 0.000 0.304 375 G C -0.489 174.391 174.900 -0.033 0.000 1.400 375 G CA -0.489 44.566 45.100 -0.074 0.000 1.029 375 G HN 0.488 nan 8.290 nan 0.000 0.584 376 I N 2.790 123.341 120.570 -0.031 0.000 2.322 376 I HA 0.124 4.294 4.170 -0.000 0.000 0.292 376 I C 1.824 177.950 176.117 0.015 0.000 1.060 376 I CA -0.107 61.194 61.300 0.002 0.000 1.309 376 I CB 0.531 38.520 38.000 -0.017 0.000 1.415 376 I HN 0.308 nan 8.210 nan 0.000 0.492 377 T N 3.070 117.655 114.554 0.051 0.000 3.023 377 T HA 0.008 4.358 4.350 -0.000 0.000 0.266 377 T C 0.260 175.068 174.700 0.180 0.000 1.093 377 T CA 0.593 62.733 62.100 0.067 0.000 1.129 377 T CB 0.038 68.917 68.868 0.018 0.000 0.899 377 T HN 0.299 nan 8.240 nan 0.000 0.491 378 F N 1.159 121.121 119.950 0.019 0.000 2.604 378 F HA 0.499 5.026 4.527 -0.000 0.000 0.316 378 F C -2.178 173.649 175.800 0.044 0.000 1.136 378 F CA -1.775 56.243 58.000 0.030 0.000 0.989 378 F CB 2.068 41.085 39.000 0.029 0.000 1.258 378 F HN -0.127 nan 8.300 nan 0.000 0.451 379 D N 2.788 122.745 120.400 -0.738 0.000 2.472 379 D HA 0.209 4.849 4.640 -0.000 0.000 0.234 379 D C 0.648 176.504 176.300 -0.739 0.000 1.088 379 D CA 0.114 53.815 54.000 -0.497 0.000 0.882 379 D CB 1.315 41.963 40.800 -0.254 0.000 1.037 379 D HN 0.479 nan 8.370 nan 0.000 0.520 380 S N 2.085 117.526 115.700 -0.433 0.000 2.489 380 S HA 0.175 4.645 4.470 -0.000 0.000 0.228 380 S C 1.726 176.266 174.600 -0.100 0.000 0.995 380 S CA 0.701 58.806 58.200 -0.157 0.000 0.934 380 S CB 0.061 63.363 63.200 0.170 0.000 0.771 380 S HN 0.744 nan 8.310 nan 0.000 0.522 381 G N 0.557 109.303 108.800 -0.091 0.000 2.254 381 G HA2 0.167 4.127 3.960 -0.000 0.000 0.225 381 G HA3 0.167 4.127 3.960 -0.000 0.000 0.225 381 G C 1.197 176.093 174.900 -0.008 0.000 1.003 381 G CA 0.289 45.364 45.100 -0.042 0.000 0.622 381 G HN 1.826 nan 8.290 nan 0.000 0.507 382 G N -0.737 108.060 108.800 -0.004 0.000 2.562 382 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.250 382 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.250 382 G C 0.524 175.362 174.900 -0.104 0.000 1.269 382 G CA 0.557 45.651 45.100 -0.011 0.000 0.919 382 G HN 1.080 nan 8.290 nan 0.000 0.574 383 Y N 1.164 121.429 120.300 -0.059 0.000 2.241 383 Y HA -0.096 4.454 4.550 -0.000 0.000 0.286 383 Y C 2.355 178.216 175.900 -0.065 0.000 1.166 383 Y CA 2.103 60.164 58.100 -0.065 0.000 1.203 383 Y CB -0.254 38.151 38.460 -0.092 0.000 0.977 383 Y HN 0.425 nan 8.280 nan 0.000 0.529 384 N N 1.158 119.875 118.700 0.028 0.000 3.254 384 N HA 0.124 4.864 4.740 -0.000 0.000 0.308 384 N C -0.847 174.650 175.510 -0.022 0.000 1.281 384 N CA -0.236 52.810 53.050 -0.006 0.000 1.212 384 N CB -0.177 38.293 38.487 -0.029 0.000 1.478 384 N HN 0.068 nan 8.380 nan 0.000 0.548 385 L N 0.969 122.174 121.223 -0.029 0.000 2.525 385 L HA -0.019 4.321 4.340 -0.000 0.000 0.278 385 L C 0.252 177.106 176.870 -0.026 0.000 1.218 385 L CA 0.188 55.005 54.840 -0.037 0.000 0.878 385 L CB 0.364 42.397 42.059 -0.044 0.000 1.127 385 L HN 0.281 nan 8.230 nan 0.000 0.492 386 K N 5.449 125.831 120.400 -0.030 0.000 2.034 386 K HA 0.134 4.454 4.320 -0.000 0.000 0.225 386 K C 0.547 177.137 176.600 -0.015 0.000 1.190 386 K CA 0.588 56.858 56.287 -0.028 0.000 1.152 386 K CB -0.166 32.306 32.500 -0.047 0.000 1.300 386 K HN 0.764 nan 8.250 nan 0.000 0.268 387 A N 1.454 124.265 122.820 -0.014 0.000 2.287 387 A HA 0.277 4.597 4.320 -0.000 0.000 0.214 387 A C 0.835 178.413 177.584 -0.011 0.000 1.228 387 A CA -0.093 51.938 52.037 -0.010 0.000 0.939 387 A CB 0.481 19.475 19.000 -0.009 0.000 0.992 387 A HN 0.555 nan 8.150 nan 0.000 0.502 388 A N 1.287 124.100 122.820 -0.013 0.000 2.483 388 A HA 0.518 4.838 4.320 -0.000 0.000 0.238 388 A C -2.447 175.130 177.584 -0.012 0.000 1.070 388 A CA -0.816 51.214 52.037 -0.012 0.000 0.770 388 A CB -0.590 18.402 19.000 -0.014 0.000 1.008 388 A HN 0.212 nan 8.150 nan 0.000 0.497 389 P HA 0.330 nan 4.420 nan 0.000 0.268 389 P C 0.921 178.215 177.300 -0.010 0.000 1.204 389 P CA 1.599 64.692 63.100 -0.011 0.000 0.768 389 P CB 0.754 32.448 31.700 -0.010 0.000 0.842 390 G N 2.291 111.082 108.800 -0.015 0.000 2.176 390 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.253 390 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.253 390 G C 1.025 175.915 174.900 -0.017 0.000 0.979 390 G CA 0.453 45.543 45.100 -0.016 0.000 0.641 390 G HN 0.597 nan 8.290 nan 0.000 0.530 391 S N -0.110 115.579 115.700 -0.019 0.000 2.562 391 S HA 0.308 4.778 4.470 -0.000 0.000 0.221 391 S C 1.544 176.121 174.600 -0.039 0.000 0.975 391 S CA 1.035 59.223 58.200 -0.019 0.000 0.918 391 S CB -0.434 62.755 63.200 -0.019 0.000 0.772 391 S HN 1.269 nan 8.310 nan 0.000 0.531 392 M N 0.027 119.595 119.600 -0.052 0.000 2.302 392 M HA -0.187 4.293 4.480 -0.000 0.000 0.200 392 M C 0.738 176.980 176.300 -0.097 0.000 0.366 392 M CA 0.357 55.605 55.300 -0.085 0.000 0.440 392 M CB -1.964 30.566 32.600 -0.117 0.000 1.475 392 M HN 0.475 nan 8.290 nan 0.000 0.905 393 I N 1.708 122.247 120.570 -0.052 0.000 2.335 393 I HA -0.291 3.879 4.170 -0.000 0.000 0.251 393 I C 2.079 178.219 176.117 0.038 0.000 1.129 393 I CA 2.431 63.716 61.300 -0.025 0.000 1.402 393 I CB -0.043 37.980 38.000 0.038 0.000 1.069 393 I HN 0.557 nan 8.210 nan 0.000 0.424 394 D N 0.498 120.898 120.400 -0.001 0.000 2.310 394 D HA -0.203 4.437 4.640 -0.000 0.000 0.212 394 D C 1.956 178.198 176.300 -0.097 0.000 0.965 394 D CA 0.711 54.709 54.000 -0.003 0.000 0.879 394 D CB -0.200 40.577 40.800 -0.039 0.000 0.921 394 D HN 0.417 nan 8.370 nan 0.000 0.510 395 L N -0.527 120.562 121.223 -0.224 0.000 2.585 395 L HA 0.148 4.488 4.340 -0.000 0.000 0.226 395 L C 1.741 178.401 176.870 -0.350 0.000 1.113 395 L CA 0.333 54.869 54.840 -0.508 0.000 0.876 395 L CB -0.045 41.561 42.059 -0.754 0.000 1.072 395 L HN -0.240 nan 8.230 nan 0.000 0.468 396 M N 0.304 119.835 119.600 -0.116 0.000 2.686 396 M HA -0.077 4.403 4.480 -0.000 0.000 0.246 396 M C 1.757 178.116 176.300 0.098 0.000 1.096 396 M CA 0.805 56.067 55.300 -0.064 0.000 1.076 396 M CB -0.946 31.393 32.600 -0.435 0.000 1.504 396 M HN 0.470 nan 8.290 nan 0.000 0.524 397 K N 0.637 121.176 120.400 0.230 0.000 2.360 397 K HA -0.170 4.150 4.320 -0.000 0.000 0.201 397 K C 1.488 178.199 176.600 0.184 0.000 1.046 397 K CA 1.308 57.725 56.287 0.216 0.000 0.940 397 K CB -1.014 31.552 32.500 0.111 0.000 0.748 397 K HN 0.507 nan 8.250 nan 0.000 0.465 398 F N 0.095 119.988 119.950 -0.094 0.000 2.797 398 F HA 0.214 4.741 4.527 -0.000 0.000 0.302 398 F C 0.810 176.596 175.800 -0.024 0.000 1.130 398 F CA -0.566 57.403 58.000 -0.053 0.000 1.387 398 F CB 0.137 39.075 39.000 -0.103 0.000 1.107 398 F HN -0.124 nan 8.300 nan 0.000 0.577 399 D N 1.851 122.229 120.400 -0.036 0.000 2.336 399 D HA -0.003 4.637 4.640 -0.000 0.000 0.229 399 D C 1.245 177.438 176.300 -0.179 0.000 1.061 399 D CA 0.551 54.407 54.000 -0.239 0.000 0.875 399 D CB 0.045 40.797 40.800 -0.080 0.000 0.904 399 D HN 0.465 nan 8.370 nan 0.000 0.525 400 M N -2.185 117.343 119.600 -0.120 0.000 2.560 400 M HA 0.401 4.881 4.480 -0.000 0.000 0.297 400 M C 1.362 177.605 176.300 -0.095 0.000 1.201 400 M CA -0.195 55.053 55.300 -0.087 0.000 0.973 400 M CB 0.239 32.814 32.600 -0.042 0.000 1.401 400 M HN -0.319 nan 8.290 nan 0.000 0.497 401 S N 1.395 116.997 115.700 -0.163 0.000 2.399 401 S HA -0.030 4.440 4.470 -0.000 0.000 0.231 401 S C 1.968 176.532 174.600 -0.060 0.000 1.022 401 S CA 1.667 59.799 58.200 -0.113 0.000 0.983 401 S CB -0.690 62.397 63.200 -0.190 0.000 0.803 401 S HN 0.792 nan 8.310 nan 0.000 0.480 402 G N 0.081 108.837 108.800 -0.073 0.000 2.404 402 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.215 402 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.215 402 G C 1.740 176.641 174.900 0.002 0.000 1.174 402 G CA 0.948 46.037 45.100 -0.018 0.000 0.780 402 G HN 0.599 nan 8.290 nan 0.000 0.537 403 C N 1.161 120.447 119.300 -0.023 0.000 2.413 403 C HA 0.114 4.574 4.460 -0.000 0.000 0.276 403 C C 3.403 178.403 174.990 0.016 0.000 1.248 403 C CA 1.821 60.831 59.018 -0.013 0.000 1.742 403 C CB -1.055 26.660 27.740 -0.043 0.000 2.017 403 C HN 0.517 nan 8.230 nan 0.000 0.481 404 A N 0.168 122.985 122.820 -0.004 0.000 1.930 404 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 404 A C 2.484 180.088 177.584 0.033 0.000 1.175 404 A CA 2.049 54.083 52.037 -0.004 0.000 0.627 404 A CB -1.082 17.887 19.000 -0.051 0.000 0.815 404 A HN 0.878 nan 8.150 nan 0.000 0.443 405 A N -0.452 122.389 122.820 0.035 0.000 1.902 405 A HA -0.005 4.315 4.320 -0.000 0.000 0.217 405 A C 2.206 179.839 177.584 0.082 0.000 1.181 405 A CA 1.774 53.840 52.037 0.047 0.000 0.623 405 A CB -0.899 18.136 19.000 0.058 0.000 0.818 405 A HN 0.381 nan 8.150 nan 0.000 0.443 406 V N 0.171 120.151 119.914 0.110 0.000 2.343 406 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 406 V C 2.548 178.749 176.094 0.179 0.000 1.051 406 V CA 1.969 64.388 62.300 0.198 0.000 1.036 406 V CB -0.781 31.163 31.823 0.202 0.000 0.654 406 V HN 0.568 nan 8.190 nan 0.000 0.451 407 L N 0.337 121.634 121.223 0.122 0.000 2.093 407 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 407 L C 2.696 179.613 176.870 0.077 0.000 1.085 407 L CA 1.596 56.493 54.840 0.095 0.000 0.755 407 L CB -1.235 40.956 42.059 0.221 0.000 0.904 407 L HN 0.451 nan 8.230 nan 0.000 0.435 408 G N -0.679 108.208 108.800 0.145 0.000 2.440 408 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.218 408 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.218 408 G C 1.817 176.751 174.900 0.056 0.000 1.154 408 G CA 0.945 46.109 45.100 0.106 0.000 0.767 408 G HN 0.475 nan 8.290 nan 0.000 0.552 409 C N 0.915 120.247 119.300 0.053 0.000 2.425 409 C HA 0.224 4.684 4.460 -0.000 0.000 0.277 409 C C 3.434 178.418 174.990 -0.010 0.000 1.280 409 C CA 1.496 60.563 59.018 0.082 0.000 1.744 409 C CB -1.092 26.776 27.740 0.214 0.000 1.989 409 C HN 0.549 nan 8.230 nan 0.000 0.491 410 A N -0.906 121.711 122.820 -0.339 0.000 1.902 410 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 410 A C 2.029 179.361 177.584 -0.419 0.000 1.181 410 A CA 1.885 53.350 52.037 -0.953 0.000 0.623 410 A CB -1.231 16.986 19.000 -1.305 0.000 0.818 410 A HN 0.814 nan 8.150 nan 0.000 0.443 411 Y N 0.462 120.581 120.300 -0.301 0.000 2.097 411 Y HA -0.335 4.215 4.550 -0.000 0.000 0.282 411 Y C 2.575 178.426 175.900 -0.082 0.000 1.152 411 Y CA 1.786 59.773 58.100 -0.187 0.000 1.136 411 Y CB -0.925 37.429 38.460 -0.176 0.000 0.975 411 Y HN 0.384 nan 8.280 nan 0.000 0.498 412 C N -0.970 118.216 119.300 -0.191 0.000 2.429 412 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 412 C C 2.834 177.696 174.990 -0.214 0.000 1.262 412 C CA 1.024 59.939 59.018 -0.171 0.000 1.733 412 C CB -1.287 26.475 27.740 0.037 0.000 2.010 412 C HN 0.509 nan 8.230 nan 0.000 0.483 413 V N 1.423 121.225 119.914 -0.185 0.000 2.358 413 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 413 V C 2.669 178.487 176.094 -0.460 0.000 1.047 413 V CA 2.388 64.533 62.300 -0.258 0.000 1.035 413 V CB -1.452 30.321 31.823 -0.084 0.000 0.658 413 V HN 0.657 nan 8.190 nan 0.000 0.452 414 G N -0.765 107.817 108.800 -0.362 0.000 2.443 414 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 414 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 414 G C 1.665 176.423 174.900 -0.236 0.000 1.131 414 G CA 1.473 46.427 45.100 -0.244 0.000 0.775 414 G HN 0.486 nan 8.290 nan 0.000 0.547 415 T N 1.025 115.359 114.554 -0.367 0.000 2.852 415 T HA 0.079 4.429 4.350 -0.000 0.000 0.256 415 T C 2.371 176.973 174.700 -0.163 0.000 1.038 415 T CA 0.524 62.443 62.100 -0.302 0.000 1.141 415 T CB -0.111 68.461 68.868 -0.493 0.000 0.869 415 T HN 0.144 nan 8.240 nan 0.000 0.439 416 L N 0.329 121.458 121.223 -0.157 0.000 2.240 416 L HA 0.162 4.502 4.340 -0.000 0.000 0.211 416 L C 0.480 177.306 176.870 -0.072 0.000 1.106 416 L CA 0.461 55.253 54.840 -0.081 0.000 0.793 416 L CB -0.453 41.584 42.059 -0.035 0.000 0.927 416 L HN 0.228 nan 8.230 nan 0.000 0.446 417 K N -0.195 120.119 120.400 -0.143 0.000 3.619 417 K HA -0.127 4.193 4.320 -0.000 0.000 0.275 417 K C -2.212 174.419 176.600 0.053 0.000 0.993 417 K CA -0.239 56.032 56.287 -0.026 0.000 0.787 417 K CB -1.605 30.965 32.500 0.116 0.000 1.431 417 K HN 0.258 nan 8.250 nan 0.000 0.451 418 P HA -0.030 nan 4.420 nan 0.000 0.268 418 P C -0.073 177.333 177.300 0.177 0.000 1.208 418 P CA 0.359 63.491 63.100 0.054 0.000 0.777 418 P CB 0.636 32.341 31.700 0.008 0.000 0.875 419 E N 1.034 121.297 120.200 0.105 0.000 2.314 419 E HA 0.147 4.497 4.350 -0.000 0.000 0.262 419 E C 0.369 177.013 176.600 0.074 0.000 1.093 419 E CA -0.631 55.822 56.400 0.089 0.000 0.908 419 E CB 0.156 29.884 29.700 0.046 0.000 1.091 419 E HN 0.369 nan 8.360 nan 0.000 0.425 420 N N -1.442 117.287 118.700 0.047 0.000 2.850 420 N HA -0.159 4.581 4.740 -0.000 0.000 0.249 420 N C -0.746 174.780 175.510 0.026 0.000 1.060 420 N CA 1.205 54.269 53.050 0.023 0.000 0.825 420 N CB -1.833 36.662 38.487 0.012 0.000 1.132 420 N HN 0.334 nan 8.380 nan 0.000 0.564 421 V N -3.247 116.703 119.914 0.059 0.000 3.078 421 V HA 0.781 4.901 4.120 -0.000 0.000 0.311 421 V C -0.252 175.872 176.094 0.050 0.000 1.138 421 V CA -0.880 61.457 62.300 0.062 0.000 1.007 421 V CB 3.119 34.996 31.823 0.090 0.000 1.045 421 V HN 0.135 nan 8.190 nan 0.000 0.432 422 E N 1.795 122.003 120.200 0.013 0.000 2.246 422 E HA 0.700 5.050 4.350 -0.000 0.000 0.266 422 E C -1.928 174.614 176.600 -0.097 0.000 0.880 422 E CA -0.780 55.587 56.400 -0.054 0.000 0.762 422 E CB 2.039 31.694 29.700 -0.075 0.000 1.180 422 E HN 0.767 nan 8.360 nan 0.000 0.416 423 I N 3.872 124.357 120.570 -0.141 0.000 2.465 423 I HA 0.269 4.439 4.170 -0.000 0.000 0.291 423 I C -0.494 175.310 176.117 -0.522 0.000 1.014 423 I CA -0.620 60.489 61.300 -0.317 0.000 1.093 423 I CB 1.603 39.365 38.000 -0.397 0.000 1.267 423 I HN 0.437 nan 8.210 nan 0.000 0.431 424 H N 6.098 125.053 119.070 -0.192 0.000 2.476 424 H HA 0.415 4.971 4.556 -0.000 0.000 0.328 424 H C -1.206 174.027 175.328 -0.158 0.000 1.073 424 H CA -0.465 55.595 56.048 0.020 0.000 1.229 424 H CB 1.202 31.035 29.762 0.119 0.000 1.432 424 H HN 0.338 nan 8.280 nan 0.000 0.477 425 F N 3.902 124.045 119.950 0.323 0.000 2.385 425 F HA 0.343 4.870 4.527 -0.000 0.000 0.360 425 F C 0.141 176.052 175.800 0.185 0.000 1.122 425 F CA -0.529 57.600 58.000 0.216 0.000 1.090 425 F CB 0.898 40.007 39.000 0.182 0.000 1.150 425 F HN 0.164 nan 8.300 nan 0.000 0.472 426 L N 2.531 123.874 121.223 0.200 0.000 2.381 426 L HA 0.725 5.065 4.340 -0.000 0.000 0.268 426 L C -0.332 176.411 176.870 -0.211 0.000 0.997 426 L CA -0.755 54.079 54.840 -0.010 0.000 0.818 426 L CB 2.311 44.370 42.059 -0.001 0.000 1.310 426 L HN 0.527 nan 8.230 nan 0.000 0.416 427 S N 1.241 116.622 115.700 -0.532 0.000 2.603 427 S HA 0.666 5.136 4.470 -0.000 0.000 0.274 427 S C -0.818 173.207 174.600 -0.958 0.000 1.168 427 S CA -0.447 57.416 58.200 -0.561 0.000 0.963 427 S CB 1.663 64.712 63.200 -0.253 0.000 1.078 427 S HN 0.695 nan 8.310 nan 0.000 0.477 428 A N 4.623 126.862 122.820 -0.969 0.000 2.671 428 A HA 0.570 4.890 4.320 -0.000 0.000 0.306 428 A C -0.114 177.212 177.584 -0.431 0.000 1.473 428 A CA -0.313 51.099 52.037 -1.043 0.000 1.155 428 A CB -0.368 17.806 19.000 -1.377 0.000 1.123 428 A HN 0.763 nan 8.150 nan 0.000 0.545 429 V N 2.632 122.496 119.914 -0.084 0.000 2.465 429 V HA 0.503 4.623 4.120 -0.000 0.000 0.279 429 V C 0.540 176.784 176.094 0.250 0.000 1.045 429 V CA -0.055 62.282 62.300 0.061 0.000 0.938 429 V CB 0.110 31.949 31.823 0.026 0.000 0.986 429 V HN 1.241 nan 8.190 nan 0.000 0.467 430 C N 2.372 121.783 119.300 0.185 0.000 3.249 430 C HA 0.767 5.227 4.460 -0.000 0.000 0.350 430 C C -0.985 174.080 174.990 0.124 0.000 1.431 430 C CA -0.901 58.220 59.018 0.171 0.000 1.209 430 C CB 1.569 29.426 27.740 0.195 0.000 1.546 430 C HN 0.888 nan 8.230 nan 0.000 0.450 431 E N 0.786 121.067 120.200 0.135 0.000 2.248 431 E HA 0.463 4.813 4.350 -0.000 0.000 0.267 431 E C -1.498 175.190 176.600 0.147 0.000 0.877 431 E CA -0.330 56.167 56.400 0.162 0.000 0.759 431 E CB 1.574 31.416 29.700 0.238 0.000 1.182 431 E HN 0.651 nan 8.360 nan 0.000 0.418 432 N N 4.838 123.621 118.700 0.139 0.000 2.527 432 N HA 0.247 4.987 4.740 -0.000 0.000 0.236 432 N C -1.175 174.424 175.510 0.149 0.000 0.999 432 N CA -0.096 53.031 53.050 0.130 0.000 0.935 432 N CB 0.405 38.945 38.487 0.088 0.000 1.132 432 N HN 0.434 nan 8.380 nan 0.000 0.511 433 M N 1.350 121.040 119.600 0.149 0.000 2.719 433 M HA 0.481 4.961 4.480 -0.000 0.000 0.291 433 M C -0.765 175.559 176.300 0.040 0.000 1.264 433 M CA -0.997 54.377 55.300 0.123 0.000 0.811 433 M CB 1.642 34.316 32.600 0.124 0.000 1.756 433 M HN -0.061 nan 8.290 nan 0.000 0.464 434 V N 0.578 120.468 119.914 -0.040 0.000 2.417 434 V HA 0.757 4.877 4.120 -0.000 0.000 0.291 434 V C -0.195 175.836 176.094 -0.104 0.000 1.024 434 V CA -0.287 61.887 62.300 -0.210 0.000 0.861 434 V CB 1.493 33.103 31.823 -0.354 0.000 0.985 434 V HN 0.944 nan 8.190 nan 0.000 0.436 435 S N 2.846 118.530 115.700 -0.028 0.000 2.587 435 S HA 0.333 4.803 4.470 -0.000 0.000 0.269 435 S C 0.627 175.333 174.600 0.176 0.000 1.154 435 S CA -0.231 58.007 58.200 0.063 0.000 0.824 435 S CB 1.734 64.972 63.200 0.063 0.000 1.118 435 S HN 0.871 nan 8.310 nan 0.000 0.462 436 K N 1.744 122.218 120.400 0.124 0.000 2.211 436 K HA -0.054 4.266 4.320 -0.000 0.000 0.204 436 K C 0.840 177.505 176.600 0.108 0.000 1.047 436 K CA 2.162 58.520 56.287 0.119 0.000 0.935 436 K CB -0.592 31.946 32.500 0.063 0.000 0.728 436 K HN 0.543 nan 8.250 nan 0.000 0.452 437 N N 0.482 119.242 118.700 0.100 0.000 2.398 437 N HA 0.032 4.772 4.740 -0.000 0.000 0.188 437 N C -0.513 175.076 175.510 0.132 0.000 1.122 437 N CA -0.255 52.847 53.050 0.087 0.000 0.866 437 N CB 0.474 38.992 38.487 0.052 0.000 0.970 437 N HN 0.066 nan 8.380 nan 0.000 0.462 438 S N 0.693 116.523 115.700 0.217 0.000 2.603 438 S HA 0.067 4.537 4.470 -0.000 0.000 0.268 438 S C -0.134 174.654 174.600 0.314 0.000 1.317 438 S CA -0.715 57.663 58.200 0.298 0.000 1.012 438 S CB 0.251 63.694 63.200 0.406 0.000 0.926 438 S HN 0.285 nan 8.310 nan 0.000 0.539 439 Y N 1.062 121.420 120.300 0.097 0.000 2.385 439 Y HA 0.564 5.114 4.550 -0.000 0.000 0.346 439 Y C 0.054 175.995 175.900 0.069 0.000 1.270 439 Y CA -0.992 57.144 58.100 0.059 0.000 1.472 439 Y CB 0.184 38.670 38.460 0.042 0.000 1.354 439 Y HN 0.455 nan 8.280 nan 0.000 0.611 440 R N 1.647 122.077 120.500 -0.117 0.000 2.803 440 R HA 0.487 4.827 4.340 -0.000 0.000 0.276 440 R C -2.781 173.347 176.300 -0.286 0.000 0.978 440 R CA -2.265 53.679 56.100 -0.259 0.000 0.939 440 R CB 1.180 31.336 30.300 -0.241 0.000 1.179 440 R HN 0.451 nan 8.270 nan 0.000 0.472 441 P HA -0.055 nan 4.420 nan 0.000 0.263 441 P C 0.565 177.796 177.300 -0.115 0.000 1.175 441 P CA 1.230 64.228 63.100 -0.169 0.000 0.761 441 P CB 0.527 32.157 31.700 -0.117 0.000 0.794 442 G N 2.033 110.791 108.800 -0.070 0.000 2.284 442 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.230 442 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.230 442 G C -0.010 174.879 174.900 -0.018 0.000 1.021 442 G CA -0.202 44.874 45.100 -0.041 0.000 0.619 442 G HN 0.521 nan 8.290 nan 0.000 0.510 443 D N 0.835 121.227 120.400 -0.014 0.000 2.472 443 D HA 0.390 5.030 4.640 -0.000 0.000 0.237 443 D C 0.818 177.160 176.300 0.070 0.000 1.141 443 D CA 0.456 54.477 54.000 0.035 0.000 0.875 443 D CB 0.608 41.462 40.800 0.090 0.000 1.192 443 D HN 0.406 nan 8.370 nan 0.000 0.450 444 I N 3.579 124.187 120.570 0.064 0.000 2.321 444 I HA 0.303 4.473 4.170 -0.000 0.000 0.291 444 I C 0.368 176.540 176.117 0.092 0.000 0.998 444 I CA -0.667 60.684 61.300 0.086 0.000 1.227 444 I CB 0.691 38.736 38.000 0.076 0.000 1.368 444 I HN 0.196 nan 8.210 nan 0.000 0.466 445 I N 1.916 122.555 120.570 0.114 0.000 2.846 445 I HA 0.640 4.810 4.170 -0.000 0.000 0.307 445 I C -0.710 175.473 176.117 0.110 0.000 1.053 445 I CA -0.485 60.877 61.300 0.104 0.000 1.050 445 I CB 2.412 40.477 38.000 0.109 0.000 1.239 445 I HN 0.272 nan 8.210 nan 0.000 0.439 446 T N 3.557 118.165 114.554 0.090 0.000 2.791 446 T HA 0.650 5.000 4.350 -0.000 0.000 0.288 446 T C 0.197 174.956 174.700 0.098 0.000 0.999 446 T CA -0.386 61.771 62.100 0.095 0.000 0.952 446 T CB 1.304 70.215 68.868 0.071 0.000 0.938 446 T HN 0.835 nan 8.240 nan 0.000 0.444 447 A N 2.328 125.229 122.820 0.134 0.000 2.327 447 A HA 0.458 4.778 4.320 -0.000 0.000 0.255 447 A C 1.718 179.370 177.584 0.114 0.000 1.099 447 A CA -0.121 51.994 52.037 0.131 0.000 0.801 447 A CB 0.013 19.154 19.000 0.235 0.000 1.062 447 A HN 0.945 nan 8.150 nan 0.000 0.496 448 S N 0.233 115.994 115.700 0.102 0.000 2.474 448 S HA -0.156 4.314 4.470 -0.000 0.000 0.235 448 S C 0.916 175.564 174.600 0.080 0.000 0.997 448 S CA 1.167 59.417 58.200 0.084 0.000 0.949 448 S CB -0.528 62.720 63.200 0.081 0.000 0.766 448 S HN 0.892 nan 8.310 nan 0.000 0.517 449 N N 0.891 119.658 118.700 0.112 0.000 2.268 449 N HA 0.261 5.001 4.740 -0.000 0.000 0.204 449 N C 1.174 176.713 175.510 0.048 0.000 1.124 449 N CA 0.496 53.589 53.050 0.070 0.000 0.838 449 N CB -0.288 38.240 38.487 0.068 0.000 0.994 449 N HN 0.542 nan 8.380 nan 0.000 0.489 450 G N 0.061 108.901 108.800 0.066 0.000 2.199 450 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.254 450 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.254 450 G C -0.226 174.705 174.900 0.052 0.000 0.982 450 G CA 0.102 45.230 45.100 0.047 0.000 0.632 450 G HN 0.464 nan 8.290 nan 0.000 0.529 451 K N 2.233 122.675 120.400 0.070 0.000 2.368 451 K HA 0.420 4.740 4.320 -0.000 0.000 0.282 451 K C 0.863 177.539 176.600 0.127 0.000 1.035 451 K CA 0.619 56.945 56.287 0.066 0.000 0.973 451 K CB 0.587 33.086 32.500 -0.001 0.000 0.957 451 K HN 0.401 nan 8.250 nan 0.000 0.474 452 T N 0.551 115.166 114.554 0.102 0.000 2.856 452 T HA 0.486 4.836 4.350 -0.000 0.000 0.292 452 T C 0.197 174.997 174.700 0.167 0.000 0.980 452 T CA -0.728 61.447 62.100 0.125 0.000 1.091 452 T CB 0.376 69.303 68.868 0.098 0.000 0.936 452 T HN 0.340 nan 8.240 nan 0.000 0.503 453 I N 2.024 122.714 120.570 0.200 0.000 2.436 453 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 453 I C 0.184 176.416 176.117 0.193 0.000 1.010 453 I CA -0.800 60.654 61.300 0.258 0.000 1.098 453 I CB 2.083 40.294 38.000 0.352 0.000 1.266 453 I HN 0.743 nan 8.210 nan 0.000 0.434 454 E N 6.041 126.346 120.200 0.175 0.000 2.130 454 E HA 0.286 4.636 4.350 -0.000 0.000 0.284 454 E C -0.999 175.664 176.600 0.105 0.000 1.018 454 E CA -0.640 55.838 56.400 0.131 0.000 0.817 454 E CB 1.193 30.970 29.700 0.127 0.000 1.078 454 E HN 0.378 nan 8.360 nan 0.000 0.396 455 V N 5.221 125.188 119.914 0.088 0.000 2.421 455 V HA 0.078 4.198 4.120 -0.000 0.000 0.271 455 V C 1.249 177.341 176.094 -0.005 0.000 1.031 455 V CA 0.805 63.134 62.300 0.049 0.000 1.032 455 V CB 0.935 32.794 31.823 0.060 0.000 1.009 455 V HN 0.927 nan 8.190 nan 0.000 0.477 456 G N 3.928 112.718 108.800 -0.017 0.000 2.744 456 G HA2 0.023 3.983 3.960 -0.000 0.000 0.211 456 G HA3 0.023 3.983 3.960 -0.000 0.000 0.211 456 G C 0.553 175.421 174.900 -0.053 0.000 1.146 456 G CA 0.099 45.183 45.100 -0.027 0.000 0.787 456 G HN 0.616 nan 8.290 nan 0.000 0.534 457 N N -0.221 118.435 118.700 -0.072 0.000 2.648 457 N HA 0.017 4.757 4.740 -0.000 0.000 0.272 457 N C 0.968 176.416 175.510 -0.102 0.000 1.118 457 N CA 0.334 53.335 53.050 -0.081 0.000 0.973 457 N CB 1.061 39.515 38.487 -0.056 0.000 1.565 457 N HN -0.031 nan 8.380 nan 0.000 0.542 458 T N -0.916 113.530 114.554 -0.181 0.000 3.051 458 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 458 T C 0.957 175.663 174.700 0.010 0.000 1.127 458 T CA 0.992 62.940 62.100 -0.255 0.000 1.107 458 T CB 0.064 68.646 68.868 -0.477 0.000 0.898 458 T HN 0.342 nan 8.240 nan 0.000 0.517 459 D N 1.569 121.960 120.400 -0.015 0.000 2.349 459 D HA 0.222 4.862 4.640 -0.000 0.000 0.224 459 D C 1.272 177.574 176.300 0.004 0.000 1.029 459 D CA 0.181 54.182 54.000 0.002 0.000 0.879 459 D CB -0.316 40.472 40.800 -0.019 0.000 0.906 459 D HN 0.553 nan 8.370 nan 0.000 0.528 460 A N 1.016 123.833 122.820 -0.004 0.000 3.105 460 A HA 0.105 4.425 4.320 -0.000 0.000 0.272 460 A C 1.528 179.103 177.584 -0.016 0.000 1.466 460 A CA -0.284 51.731 52.037 -0.037 0.000 1.101 460 A CB -0.321 18.620 19.000 -0.098 0.000 1.065 460 A HN 0.181 nan 8.150 nan 0.000 0.643 461 E N 0.090 120.317 120.200 0.045 0.000 2.230 461 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 461 E C 1.566 178.169 176.600 0.006 0.000 0.987 461 E CA 1.303 57.748 56.400 0.074 0.000 0.841 461 E CB -0.863 28.913 29.700 0.125 0.000 0.783 461 E HN 0.361 nan 8.360 nan 0.000 0.481 462 G N 2.844 111.639 108.800 -0.009 0.000 2.446 462 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.217 462 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.217 462 G C 1.886 176.771 174.900 -0.026 0.000 1.168 462 G CA 1.534 46.624 45.100 -0.016 0.000 0.771 462 G HN 0.473 nan 8.290 nan 0.000 0.551 463 R N 0.360 120.829 120.500 -0.051 0.000 2.152 463 R HA 0.079 4.419 4.340 -0.000 0.000 0.232 463 R C 2.303 178.602 176.300 -0.001 0.000 1.117 463 R CA 1.235 57.314 56.100 -0.036 0.000 0.981 463 R CB -0.635 29.585 30.300 -0.133 0.000 0.870 463 R HN 0.408 nan 8.270 nan 0.000 0.451 464 L N 1.656 122.846 121.223 -0.056 0.000 2.044 464 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 464 L C 2.942 179.793 176.870 -0.031 0.000 1.075 464 L CA 1.881 56.708 54.840 -0.022 0.000 0.747 464 L CB -0.944 41.103 42.059 -0.020 0.000 0.903 464 L HN 0.419 nan 8.230 nan 0.000 0.435 465 T N -1.590 112.957 114.554 -0.013 0.000 2.746 465 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 465 T C 1.891 176.517 174.700 -0.123 0.000 1.039 465 T CA 1.024 63.104 62.100 -0.032 0.000 1.142 465 T CB -0.555 68.296 68.868 -0.029 0.000 0.866 465 T HN 0.201 nan 8.240 nan 0.000 0.444 466 L N 0.967 122.138 121.223 -0.087 0.000 2.093 466 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 466 L C 3.370 180.177 176.870 -0.105 0.000 1.085 466 L CA 1.019 55.816 54.840 -0.072 0.000 0.755 466 L CB -0.856 41.196 42.059 -0.011 0.000 0.904 466 L HN 0.408 nan 8.230 nan 0.000 0.435 467 A N 0.149 122.841 122.820 -0.213 0.000 1.873 467 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 467 A C 1.987 179.374 177.584 -0.328 0.000 1.193 467 A CA 2.300 53.990 52.037 -0.579 0.000 0.629 467 A CB -0.651 17.605 19.000 -1.240 0.000 0.826 467 A HN 0.361 nan 8.150 nan 0.000 0.447 468 D N -0.419 119.875 120.400 -0.176 0.000 2.144 468 D HA -0.004 4.636 4.640 -0.000 0.000 0.200 468 D C 2.200 178.549 176.300 0.081 0.000 0.978 468 D CA 1.388 55.384 54.000 -0.007 0.000 0.833 468 D CB -0.312 40.534 40.800 0.078 0.000 0.961 468 D HN 0.439 nan 8.370 nan 0.000 0.470 469 A N 0.471 123.327 122.820 0.059 0.000 1.929 469 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 469 A C 2.373 180.063 177.584 0.176 0.000 1.176 469 A CA 0.599 52.747 52.037 0.185 0.000 0.628 469 A CB -0.583 18.402 19.000 -0.025 0.000 0.816 469 A HN 0.181 nan 8.150 nan 0.000 0.444 470 L N -0.587 120.683 121.223 0.079 0.000 2.046 470 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 470 L C 2.507 179.424 176.870 0.080 0.000 1.077 470 L CA 0.969 55.848 54.840 0.065 0.000 0.747 470 L CB -0.592 41.452 42.059 -0.025 0.000 0.896 470 L HN 0.230 nan 8.230 nan 0.000 0.432 471 V N -0.845 119.125 119.914 0.094 0.000 2.287 471 V HA -0.358 3.761 4.120 -0.000 0.000 0.248 471 V C 2.233 178.378 176.094 0.086 0.000 1.053 471 V CA 2.057 64.411 62.300 0.091 0.000 1.027 471 V CB -0.673 31.218 31.823 0.112 0.000 0.646 471 V HN 0.403 nan 8.190 nan 0.000 0.447 472 Y N 1.189 121.480 120.300 -0.015 0.000 2.128 472 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 472 Y C 2.427 178.293 175.900 -0.056 0.000 1.154 472 Y CA 1.938 60.000 58.100 -0.063 0.000 1.149 472 Y CB -0.510 37.879 38.460 -0.118 0.000 0.976 472 Y HN 0.162 nan 8.280 nan 0.000 0.505 473 A N 0.141 123.099 122.820 0.230 0.000 1.892 473 A HA -0.314 4.006 4.320 -0.000 0.000 0.218 473 A C 2.191 179.769 177.584 -0.011 0.000 1.188 473 A CA 2.132 54.229 52.037 0.099 0.000 0.631 473 A CB -1.040 18.051 19.000 0.151 0.000 0.822 473 A HN 0.678 nan 8.150 nan 0.000 0.447 474 E N -0.235 119.968 120.200 0.004 0.000 2.110 474 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 474 E C 1.878 178.436 176.600 -0.070 0.000 0.988 474 E CA 1.295 57.684 56.400 -0.018 0.000 0.804 474 E CB -0.109 29.585 29.700 -0.010 0.000 0.745 474 E HN 0.611 nan 8.360 nan 0.000 0.458 475 K N 0.093 120.423 120.400 -0.117 0.000 2.280 475 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 475 K C 1.918 178.397 176.600 -0.202 0.000 1.047 475 K CA 0.668 56.856 56.287 -0.165 0.000 0.942 475 K CB 0.000 32.364 32.500 -0.227 0.000 0.739 475 K HN 0.269 nan 8.250 nan 0.000 0.457 476 L N -0.150 120.929 121.223 -0.240 0.000 2.465 476 L HA 0.004 4.344 4.340 -0.000 0.000 0.224 476 L C 0.908 177.699 176.870 -0.131 0.000 1.145 476 L CA 0.460 55.149 54.840 -0.252 0.000 0.834 476 L CB -0.445 41.367 42.059 -0.412 0.000 0.944 476 L HN 0.354 nan 8.230 nan 0.000 0.451 477 G N 1.346 110.094 108.800 -0.085 0.000 2.326 477 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.286 477 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.286 477 G C 0.015 174.905 174.900 -0.016 0.000 1.096 477 G CA 0.220 45.294 45.100 -0.044 0.000 1.003 477 G HN 0.233 nan 8.290 nan 0.000 0.503 478 V N -3.125 116.789 119.914 -0.000 0.000 3.109 478 V HA 0.741 4.861 4.120 -0.000 0.000 0.317 478 V C 1.045 177.126 176.094 -0.021 0.000 1.074 478 V CA 0.010 62.326 62.300 0.026 0.000 1.033 478 V CB 1.709 33.586 31.823 0.091 0.000 1.111 478 V HN 0.076 nan 8.190 nan 0.000 0.458 479 D N -0.502 119.838 120.400 -0.099 0.000 2.183 479 D HA 0.090 4.730 4.640 -0.000 0.000 0.205 479 D C -0.352 175.770 176.300 -0.295 0.000 0.962 479 D CA 1.849 55.670 54.000 -0.299 0.000 0.849 479 D CB 0.129 40.602 40.800 -0.545 0.000 0.978 479 D HN 0.643 nan 8.370 nan 0.000 0.488 480 Y N -0.357 120.024 120.300 0.134 0.000 2.457 480 Y HA 0.481 5.031 4.550 -0.000 0.000 0.343 480 Y C -0.170 175.842 175.900 0.187 0.000 0.994 480 Y CA -0.970 57.237 58.100 0.179 0.000 1.031 480 Y CB 1.713 40.333 38.460 0.266 0.000 1.246 480 Y HN -0.307 nan 8.280 nan 0.000 0.449 481 I N 3.486 124.283 120.570 0.378 0.000 2.389 481 I HA 0.538 4.708 4.170 -0.000 0.000 0.288 481 I C -1.051 175.237 176.117 0.286 0.000 0.999 481 I CA -0.946 60.553 61.300 0.331 0.000 1.129 481 I CB 1.563 39.780 38.000 0.362 0.000 1.288 481 I HN 0.241 nan 8.210 nan 0.000 0.444 482 V N 4.926 124.947 119.914 0.179 0.000 2.407 482 V HA 0.270 4.390 4.120 -0.000 0.000 0.291 482 V C -0.603 175.558 176.094 0.112 0.000 1.018 482 V CA -0.631 61.687 62.300 0.029 0.000 0.842 482 V CB 1.733 33.457 31.823 -0.166 0.000 0.996 482 V HN 0.846 nan 8.190 nan 0.000 0.426 483 D N 4.202 124.706 120.400 0.174 0.000 2.217 483 D HA 0.657 5.297 4.640 -0.000 0.000 0.248 483 D C -0.560 175.836 176.300 0.161 0.000 1.008 483 D CA -0.523 53.603 54.000 0.211 0.000 0.914 483 D CB 2.372 43.372 40.800 0.334 0.000 1.182 483 D HN 0.493 nan 8.370 nan 0.000 0.451 484 I N 0.860 121.510 120.570 0.133 0.000 2.534 484 I HA 0.687 4.857 4.170 -0.000 0.000 0.288 484 I C -1.730 174.440 176.117 0.088 0.000 1.077 484 I CA -0.527 60.826 61.300 0.089 0.000 1.051 484 I CB 1.295 39.335 38.000 0.066 0.000 1.234 484 I HN 0.776 nan 8.210 nan 0.000 0.425 485 A N 3.469 126.338 122.820 0.082 0.000 2.547 485 A HA 0.567 4.887 4.320 -0.000 0.000 0.297 485 A C -0.445 177.141 177.584 0.004 0.000 1.056 485 A CA -0.506 51.568 52.037 0.061 0.000 0.688 485 A CB 1.326 20.423 19.000 0.162 0.000 1.282 485 A HN 0.661 nan 8.150 nan 0.000 0.400 486 T N 1.333 115.825 114.554 -0.103 0.000 3.781 486 T HA 0.314 4.664 4.350 -0.000 0.000 0.286 486 T C 0.675 175.353 174.700 -0.036 0.000 1.277 486 T CA -0.029 61.972 62.100 -0.165 0.000 1.136 486 T CB -0.264 68.275 68.868 -0.547 0.000 1.202 486 T HN 0.518 nan 8.240 nan 0.000 0.884 487 L N 2.632 123.890 121.223 0.057 0.000 2.221 487 L HA 0.316 4.656 4.340 -0.000 0.000 0.202 487 L C 1.080 178.003 176.870 0.088 0.000 1.074 487 L CA 1.114 56.009 54.840 0.092 0.000 0.795 487 L CB 0.171 42.343 42.059 0.187 0.000 0.960 487 L HN 0.817 nan 8.230 nan 0.000 0.458 488 T N -4.639 109.984 114.554 0.115 0.000 2.928 488 T HA 0.484 4.834 4.350 -0.000 0.000 0.296 488 T C 0.918 175.704 174.700 0.143 0.000 1.000 488 T CA -0.313 61.854 62.100 0.112 0.000 0.989 488 T CB 1.293 70.226 68.868 0.108 0.000 1.005 488 T HN 0.108 nan 8.240 nan 0.000 0.442 489 G N 1.462 110.346 108.800 0.140 0.000 2.462 489 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.220 489 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.220 489 G C 1.601 176.636 174.900 0.225 0.000 1.121 489 G CA 0.703 45.907 45.100 0.172 0.000 0.758 489 G HN 1.191 nan 8.290 nan 0.000 0.559 490 A N 0.532 123.469 122.820 0.196 0.000 2.076 490 A HA -0.004 4.316 4.320 -0.000 0.000 0.220 490 A C 2.345 180.080 177.584 0.250 0.000 1.160 490 A CA 1.675 53.853 52.037 0.235 0.000 0.653 490 A CB -0.312 18.767 19.000 0.130 0.000 0.801 490 A HN 0.307 nan 8.150 nan 0.000 0.455 491 M N -0.515 119.206 119.600 0.201 0.000 2.202 491 M HA -0.115 4.365 4.480 -0.000 0.000 0.262 491 M C 1.957 178.324 176.300 0.112 0.000 1.063 491 M CA 1.184 56.584 55.300 0.166 0.000 1.097 491 M CB -1.356 31.334 32.600 0.151 0.000 1.382 491 M HN 0.438 nan 8.290 nan 0.000 0.413 492 L N -1.883 119.393 121.223 0.088 0.000 2.191 492 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 492 L C 1.853 178.582 176.870 -0.236 0.000 1.103 492 L CA 1.101 55.886 54.840 -0.091 0.000 0.769 492 L CB -0.553 41.389 42.059 -0.196 0.000 0.908 492 L HN 0.231 nan 8.230 nan 0.000 0.438 493 Y N -1.636 118.669 120.300 0.009 0.000 2.478 493 Y HA -0.037 4.513 4.550 -0.000 0.000 0.261 493 Y C 2.637 178.532 175.900 -0.008 0.000 1.127 493 Y CA 0.633 58.729 58.100 -0.007 0.000 1.288 493 Y CB 0.123 38.581 38.460 -0.003 0.000 1.084 493 Y HN 0.198 nan 8.280 nan 0.000 0.530 494 S N -1.237 114.539 115.700 0.127 0.000 2.620 494 S HA 0.094 4.564 4.470 -0.000 0.000 0.234 494 S C 1.432 176.025 174.600 -0.011 0.000 1.064 494 S CA 0.253 58.498 58.200 0.074 0.000 0.920 494 S CB -0.429 62.843 63.200 0.120 0.000 0.826 494 S HN 0.312 nan 8.310 nan 0.000 0.557 495 L N 0.875 122.095 121.223 -0.005 0.000 2.537 495 L HA 0.438 4.778 4.340 -0.000 0.000 0.224 495 L C 1.569 178.392 176.870 -0.077 0.000 1.065 495 L CA 0.382 55.183 54.840 -0.064 0.000 0.860 495 L CB -0.254 41.818 42.059 0.022 0.000 1.086 495 L HN 0.714 nan 8.230 nan 0.000 0.482 496 G N 1.039 109.816 108.800 -0.040 0.000 2.499 496 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.232 496 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.232 496 G C 0.579 175.490 174.900 0.019 0.000 1.251 496 G CA 0.181 45.249 45.100 -0.053 0.000 0.917 496 G HN 0.192 nan 8.290 nan 0.000 0.580 497 T N -2.668 111.913 114.554 0.045 0.000 3.065 497 T HA 0.410 4.760 4.350 -0.000 0.000 0.252 497 T C 2.139 176.915 174.700 0.126 0.000 1.099 497 T CA 1.841 64.017 62.100 0.128 0.000 1.063 497 T CB 0.326 69.308 68.868 0.190 0.000 0.948 497 T HN 0.659 nan 8.240 nan 0.000 0.506 498 S N -0.245 115.534 115.700 0.132 0.000 2.441 498 S HA 0.299 4.769 4.470 -0.000 0.000 0.224 498 S C -0.117 174.737 174.600 0.424 0.000 1.043 498 S CA -0.171 58.184 58.200 0.258 0.000 0.948 498 S CB -0.078 63.282 63.200 0.267 0.000 0.810 498 S HN 0.642 nan 8.310 nan 0.000 0.504 499 Y N 1.036 121.356 120.300 0.033 0.000 2.341 499 Y HA 0.609 5.159 4.550 -0.000 0.000 0.338 499 Y C 0.282 176.171 175.900 -0.019 0.000 0.965 499 Y CA -1.369 56.769 58.100 0.063 0.000 1.108 499 Y CB 1.140 39.653 38.460 0.089 0.000 1.180 499 Y HN 0.117 nan 8.280 nan 0.000 0.458 500 A N 2.301 125.146 122.820 0.043 0.000 2.386 500 A HA 0.563 4.883 4.320 -0.000 0.000 0.248 500 A C 0.441 178.076 177.584 0.085 0.000 1.082 500 A CA 0.104 52.105 52.037 -0.059 0.000 0.789 500 A CB 0.095 18.988 19.000 -0.177 0.000 1.025 500 A HN 0.863 nan 8.150 nan 0.000 0.490 501 G N -0.669 108.158 108.800 0.045 0.000 2.356 501 G HA2 0.524 4.484 3.960 -0.000 0.000 0.322 501 G HA3 0.524 4.484 3.960 -0.000 0.000 0.322 501 G C -0.879 173.948 174.900 -0.122 0.000 1.125 501 G CA -0.256 44.834 45.100 -0.016 0.000 0.885 501 G HN 1.255 nan 8.290 nan 0.000 0.467 502 V N 2.604 122.389 119.914 -0.215 0.000 2.555 502 V HA 0.859 4.979 4.120 -0.000 0.000 0.302 502 V C -1.247 174.683 176.094 -0.274 0.000 1.038 502 V CA -0.948 61.238 62.300 -0.191 0.000 0.887 502 V CB 1.147 32.870 31.823 -0.167 0.000 0.991 502 V HN 0.547 nan 8.190 nan 0.000 0.434 503 F N 4.120 124.056 119.950 -0.023 0.000 2.577 503 F HA 0.970 5.497 4.527 -0.000 0.000 0.318 503 F C 0.656 176.334 175.800 -0.203 0.000 1.065 503 F CA -0.030 58.009 58.000 0.064 0.000 0.929 503 F CB 2.571 41.651 39.000 0.133 0.000 1.237 503 F HN 0.809 nan 8.300 nan 0.000 0.468 504 G N 0.518 109.354 108.800 0.060 0.000 2.559 504 G HA2 0.268 4.228 3.960 -0.000 0.000 0.291 504 G HA3 0.268 4.228 3.960 -0.000 0.000 0.291 504 G C -1.224 173.734 174.900 0.097 0.000 1.424 504 G CA -0.915 44.047 45.100 -0.230 0.000 0.786 504 G HN 0.606 nan 8.290 nan 0.000 0.485 505 N N -0.396 118.427 118.700 0.206 0.000 2.230 505 N HA 0.099 4.839 4.740 -0.000 0.000 0.202 505 N C -0.039 175.575 175.510 0.174 0.000 1.119 505 N CA -0.325 52.902 53.050 0.295 0.000 0.851 505 N CB 0.583 39.330 38.487 0.434 0.000 0.990 505 N HN 0.437 nan 8.380 nan 0.000 0.497 506 N N 0.630 119.376 118.700 0.078 0.000 2.542 506 N HA 0.079 4.819 4.740 -0.000 0.000 0.288 506 N C -0.409 175.048 175.510 -0.088 0.000 1.115 506 N CA -0.102 52.969 53.050 0.035 0.000 0.924 506 N CB 1.559 40.101 38.487 0.091 0.000 1.526 506 N HN 0.021 nan 8.380 nan 0.000 0.515 507 E N 1.582 121.726 120.200 -0.094 0.000 2.106 507 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 507 E C 0.414 176.867 176.600 -0.245 0.000 0.984 507 E CA 1.351 57.609 56.400 -0.237 0.000 0.806 507 E CB 0.413 30.029 29.700 -0.139 0.000 0.750 507 E HN 0.580 nan 8.360 nan 0.000 0.458 508 E N 0.935 121.063 120.200 -0.119 0.000 2.038 508 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 508 E C 1.934 178.447 176.600 -0.145 0.000 1.000 508 E CA 0.634 56.980 56.400 -0.090 0.000 0.803 508 E CB -0.354 29.351 29.700 0.010 0.000 0.750 508 E HN 0.090 nan 8.360 nan 0.000 0.448 509 L N 0.671 121.807 121.223 -0.145 0.000 2.013 509 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 509 L C 2.028 178.693 176.870 -0.342 0.000 1.073 509 L CA 1.621 56.298 54.840 -0.272 0.000 0.753 509 L CB -0.552 41.378 42.059 -0.214 0.000 0.890 509 L HN 0.172 nan 8.230 nan 0.000 0.432 510 I N -0.014 120.318 120.570 -0.397 0.000 2.163 510 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 510 I C 2.151 177.984 176.117 -0.474 0.000 1.085 510 I CA 1.471 62.443 61.300 -0.547 0.000 1.347 510 I CB -0.568 36.881 38.000 -0.919 0.000 1.044 510 I HN 0.397 nan 8.210 nan 0.000 0.408 511 N N 0.936 119.392 118.700 -0.408 0.000 2.166 511 N HA -0.178 4.562 4.740 -0.000 0.000 0.186 511 N C 1.724 177.123 175.510 -0.185 0.000 1.019 511 N CA 1.210 54.091 53.050 -0.281 0.000 0.856 511 N CB -0.270 38.086 38.487 -0.219 0.000 0.993 511 N HN 0.409 nan 8.380 nan 0.000 0.426 512 K N 0.453 120.761 120.400 -0.153 0.000 2.103 512 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 512 K C 1.833 178.416 176.600 -0.029 0.000 1.048 512 K CA 0.760 57.023 56.287 -0.039 0.000 0.930 512 K CB 0.017 32.553 32.500 0.061 0.000 0.716 512 K HN 0.118 nan 8.250 nan 0.000 0.444 513 I N 1.247 121.694 120.570 -0.205 0.000 2.252 513 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 513 I C 2.249 178.260 176.117 -0.177 0.000 1.102 513 I CA 1.322 62.464 61.300 -0.264 0.000 1.385 513 I CB -0.995 36.766 38.000 -0.397 0.000 1.064 513 I HN 0.178 nan 8.210 nan 0.000 0.414 514 L N 0.153 121.257 121.223 -0.199 0.000 2.042 514 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 514 L C 2.692 179.494 176.870 -0.113 0.000 1.076 514 L CA 1.425 56.164 54.840 -0.168 0.000 0.749 514 L CB -0.619 41.314 42.059 -0.209 0.000 0.893 514 L HN 0.264 nan 8.230 nan 0.000 0.432 515 Q N 0.121 119.866 119.800 -0.092 0.000 2.084 515 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 515 Q C 2.240 178.222 176.000 -0.030 0.000 0.978 515 Q CA 2.275 58.047 55.803 -0.053 0.000 0.844 515 Q CB -0.242 28.473 28.738 -0.038 0.000 0.898 515 Q HN 0.311 nan 8.270 nan 0.000 0.426 516 S N -0.309 115.386 115.700 -0.008 0.000 2.399 516 S HA -0.172 4.298 4.470 -0.000 0.000 0.231 516 S C 1.918 176.498 174.600 -0.033 0.000 1.022 516 S CA 1.043 59.252 58.200 0.016 0.000 0.983 516 S CB -0.592 62.655 63.200 0.079 0.000 0.803 516 S HN 0.551 nan 8.310 nan 0.000 0.480 517 S N 1.487 117.145 115.700 -0.070 0.000 2.359 517 S HA -0.176 4.294 4.470 -0.000 0.000 0.224 517 S C 1.942 176.483 174.600 -0.097 0.000 1.035 517 S CA 1.571 59.714 58.200 -0.096 0.000 1.018 517 S CB -0.299 62.840 63.200 -0.102 0.000 0.876 517 S HN 0.526 nan 8.310 nan 0.000 0.448 518 K N 0.005 120.359 120.400 -0.077 0.000 2.026 518 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 518 K C 2.272 178.839 176.600 -0.056 0.000 1.048 518 K CA 1.925 58.170 56.287 -0.069 0.000 0.929 518 K CB -0.719 31.751 32.500 -0.050 0.000 0.713 518 K HN 0.665 nan 8.250 nan 0.000 0.439 519 T N -1.331 113.208 114.554 -0.025 0.000 2.904 519 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 519 T C 2.082 176.801 174.700 0.032 0.000 1.059 519 T CA 1.448 63.553 62.100 0.008 0.000 1.137 519 T CB -0.313 68.572 68.868 0.029 0.000 0.879 519 T HN 0.311 nan 8.240 nan 0.000 0.467 520 S N 1.706 117.415 115.700 0.015 0.000 2.461 520 S HA -0.002 4.468 4.470 -0.000 0.000 0.228 520 S C 1.088 175.664 174.600 -0.039 0.000 1.005 520 S CA 0.377 58.598 58.200 0.036 0.000 0.942 520 S CB -0.717 62.465 63.200 -0.030 0.000 0.776 520 S HN 0.559 nan 8.310 nan 0.000 0.514 521 N N 1.691 120.299 118.700 -0.154 0.000 2.754 521 N HA -0.125 4.615 4.740 -0.000 0.000 0.248 521 N C -1.258 174.090 175.510 -0.272 0.000 1.093 521 N CA 0.965 53.815 53.050 -0.334 0.000 0.699 521 N CB -1.322 36.694 38.487 -0.784 0.000 1.016 521 N HN 0.734 nan 8.380 nan 0.000 0.552 522 E N 0.596 120.671 120.200 -0.209 0.000 2.102 522 E HA 0.296 4.646 4.350 -0.000 0.000 0.263 522 E C -2.474 174.054 176.600 -0.119 0.000 0.894 522 E CA -1.590 54.660 56.400 -0.250 0.000 0.746 522 E CB 1.312 30.651 29.700 -0.601 0.000 1.129 522 E HN 0.084 nan 8.360 nan 0.000 0.416 523 P HA 0.129 nan 4.420 nan 0.000 0.275 523 P C -0.719 176.521 177.300 -0.100 0.000 1.227 523 P CA -0.260 62.679 63.100 -0.270 0.000 0.781 523 P CB 0.985 32.263 31.700 -0.704 0.000 0.906 524 V N 3.415 123.250 119.914 -0.132 0.000 2.888 524 V HA 0.478 4.598 4.120 -0.000 0.000 0.309 524 V C -1.203 174.983 176.094 0.155 0.000 1.114 524 V CA -0.594 61.738 62.300 0.053 0.000 0.940 524 V CB 2.839 34.676 31.823 0.023 0.000 1.021 524 V HN 0.637 nan 8.190 nan 0.000 0.426 525 W N 3.810 125.141 121.300 0.052 0.000 2.785 525 W HA 0.457 5.117 4.660 -0.000 0.000 0.333 525 W C -1.592 174.959 176.519 0.053 0.000 1.062 525 W CA -0.827 56.583 57.345 0.108 0.000 1.233 525 W CB 2.110 31.689 29.460 0.199 0.000 1.413 525 W HN 0.752 nan 8.180 nan 0.000 0.489 526 W N 7.542 128.523 121.300 -0.531 0.000 2.311 526 W HA 0.518 5.178 4.660 -0.000 0.000 0.310 526 W C -1.432 174.920 176.519 -0.278 0.000 1.274 526 W CA -0.702 56.399 57.345 -0.406 0.000 1.215 526 W CB 0.192 29.406 29.460 -0.411 0.000 1.227 526 W HN 0.183 nan 8.180 nan 0.000 0.523 527 L N 8.923 129.951 121.223 -0.325 0.000 2.341 527 L HA 0.543 4.883 4.340 -0.000 0.000 0.267 527 L C -1.798 174.838 176.870 -0.391 0.000 1.009 527 L CA -2.304 52.266 54.840 -0.450 0.000 0.819 527 L CB 2.369 44.046 42.059 -0.636 0.000 1.323 527 L HN 0.289 nan 8.230 nan 0.000 0.425 528 P HA 0.284 nan 4.420 nan 0.000 0.281 528 P C -0.861 176.626 177.300 0.310 0.000 1.249 528 P CA -0.278 62.808 63.100 -0.023 0.000 0.810 528 P CB 1.135 32.780 31.700 -0.091 0.000 1.008 529 I N 3.304 124.055 120.570 0.301 0.000 2.287 529 I HA 0.261 4.431 4.170 -0.000 0.000 0.290 529 I C 0.516 176.710 176.117 0.128 0.000 1.069 529 I CA -0.498 60.974 61.300 0.286 0.000 1.237 529 I CB 0.136 38.329 38.000 0.322 0.000 1.418 529 I HN 0.108 nan 8.210 nan 0.000 0.481 530 I N 6.735 127.333 120.570 0.047 0.000 2.301 530 I HA 0.110 4.280 4.170 -0.000 0.000 0.292 530 I C 1.202 177.202 176.117 -0.195 0.000 1.046 530 I CA -0.210 60.987 61.300 -0.171 0.000 1.282 530 I CB 0.472 38.195 38.000 -0.462 0.000 1.409 530 I HN 0.560 nan 8.210 nan 0.000 0.484 531 N N 4.403 123.040 118.700 -0.104 0.000 2.453 531 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 531 N C 1.564 177.030 175.510 -0.073 0.000 1.041 531 N CA 0.726 53.748 53.050 -0.046 0.000 0.900 531 N CB 0.100 38.584 38.487 -0.006 0.000 0.961 531 N HN 0.623 nan 8.380 nan 0.000 0.443 532 E N 0.380 120.472 120.200 -0.180 0.000 2.209 532 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 532 E C 0.896 177.510 176.600 0.025 0.000 0.993 532 E CA 0.968 57.298 56.400 -0.116 0.000 0.819 532 E CB -0.052 29.556 29.700 -0.154 0.000 0.745 532 E HN 0.566 nan 8.360 nan 0.000 0.477 533 Y N -1.020 119.308 120.300 0.047 0.000 2.561 533 Y HA -0.004 4.546 4.550 -0.000 0.000 0.291 533 Y C 2.268 178.198 175.900 0.049 0.000 1.141 533 Y CA -0.102 58.026 58.100 0.047 0.000 1.303 533 Y CB 0.077 38.570 38.460 0.054 0.000 1.015 533 Y HN -0.021 nan 8.280 nan 0.000 0.547 534 R N 2.048 122.645 120.500 0.162 0.000 2.103 534 R HA -0.202 4.138 4.340 -0.000 0.000 0.242 534 R C 2.195 178.551 176.300 0.094 0.000 1.142 534 R CA 1.683 57.852 56.100 0.114 0.000 0.960 534 R CB -0.904 29.436 30.300 0.067 0.000 0.858 534 R HN 0.258 nan 8.270 nan 0.000 0.439 535 A N -0.571 122.298 122.820 0.083 0.000 2.076 535 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 535 A C 2.005 179.629 177.584 0.067 0.000 1.160 535 A CA 1.976 54.050 52.037 0.062 0.000 0.653 535 A CB -1.103 17.928 19.000 0.052 0.000 0.801 535 A HN 0.655 nan 8.150 nan 0.000 0.455 536 T N -2.533 112.075 114.554 0.089 0.000 3.118 536 T HA 0.167 4.517 4.350 -0.000 0.000 0.260 536 T C 1.212 175.955 174.700 0.072 0.000 1.139 536 T CA 0.744 62.885 62.100 0.070 0.000 1.085 536 T CB -0.336 68.568 68.868 0.059 0.000 0.934 536 T HN 0.342 nan 8.240 nan 0.000 0.518 537 L N 0.631 121.909 121.223 0.092 0.000 2.628 537 L HA 0.308 4.648 4.340 -0.000 0.000 0.229 537 L C 0.135 177.059 176.870 0.090 0.000 1.137 537 L CA -0.433 54.473 54.840 0.111 0.000 0.909 537 L CB -0.401 41.754 42.059 0.159 0.000 1.137 537 L HN 0.138 nan 8.230 nan 0.000 0.470 538 N N 1.108 119.844 118.700 0.059 0.000 2.452 538 N HA 0.022 4.762 4.740 -0.000 0.000 0.266 538 N C -0.047 175.485 175.510 0.035 0.000 1.175 538 N CA 0.299 53.371 53.050 0.037 0.000 0.945 538 N CB 1.287 39.785 38.487 0.019 0.000 1.063 538 N HN -0.062 nan 8.380 nan 0.000 0.472 539 S N 1.334 117.057 115.700 0.038 0.000 2.541 539 S HA 0.203 4.673 4.470 -0.000 0.000 0.283 539 S C 1.234 175.820 174.600 -0.023 0.000 1.196 539 S CA -0.651 57.573 58.200 0.041 0.000 1.062 539 S CB 1.142 64.394 63.200 0.086 0.000 1.009 539 S HN 0.505 nan 8.310 nan 0.000 0.502 540 K N 3.276 123.632 120.400 -0.074 0.000 2.147 540 K HA -0.026 4.294 4.320 -0.000 0.000 0.205 540 K C 0.608 176.908 176.600 -0.499 0.000 1.049 540 K CA 1.988 58.099 56.287 -0.294 0.000 0.936 540 K CB -0.276 31.994 32.500 -0.384 0.000 0.722 540 K HN 0.790 nan 8.250 nan 0.000 0.446 541 Y N -1.236 119.078 120.300 0.024 0.000 2.594 541 Y HA 0.445 4.995 4.550 -0.000 0.000 0.283 541 Y C 0.984 176.902 175.900 0.030 0.000 1.140 541 Y CA 0.067 58.181 58.100 0.024 0.000 1.261 541 Y CB -0.299 38.174 38.460 0.022 0.000 1.358 541 Y HN 0.003 nan 8.280 nan 0.000 0.513 542 A N 0.283 123.211 122.820 0.180 0.000 2.246 542 A HA 0.199 4.519 4.320 -0.000 0.000 0.291 542 A C 0.692 178.326 177.584 0.085 0.000 1.103 542 A CA -0.019 52.096 52.037 0.130 0.000 0.844 542 A CB 0.042 19.128 19.000 0.142 0.000 1.136 542 A HN 0.286 nan 8.150 nan 0.000 0.500 543 D N -0.821 119.624 120.400 0.074 0.000 2.178 543 D HA 0.040 4.680 4.640 -0.000 0.000 0.202 543 D C 0.325 176.653 176.300 0.046 0.000 0.974 543 D CA 1.632 55.655 54.000 0.040 0.000 0.841 543 D CB 0.080 40.890 40.800 0.018 0.000 0.953 543 D HN 0.428 nan 8.370 nan 0.000 0.478 544 I N -0.383 120.247 120.570 0.099 0.000 2.918 544 I HA 0.153 4.323 4.170 -0.000 0.000 0.301 544 I C -1.494 174.749 176.117 0.210 0.000 1.312 544 I CA -0.778 60.604 61.300 0.137 0.000 1.007 544 I CB 2.067 40.139 38.000 0.120 0.000 1.281 544 I HN -0.342 nan 8.210 nan 0.000 0.440 545 N N 4.758 123.580 118.700 0.203 0.000 2.498 545 N HA 0.185 4.925 4.740 -0.000 0.000 0.287 545 N C 0.232 175.885 175.510 0.238 0.000 1.097 545 N CA -0.262 52.896 53.050 0.180 0.000 0.973 545 N CB 1.841 40.397 38.487 0.115 0.000 1.153 545 N HN 0.664 nan 8.380 nan 0.000 0.472 546 Q N 1.804 121.662 119.800 0.097 0.000 2.119 546 Q HA -0.054 4.286 4.340 -0.000 0.000 0.201 546 Q C 0.276 176.144 176.000 -0.221 0.000 0.972 546 Q CA 1.170 56.838 55.803 -0.225 0.000 0.847 546 Q CB 0.181 28.804 28.738 -0.192 0.000 0.903 546 Q HN 0.751 nan 8.270 nan 0.000 0.433 547 I N -3.088 117.441 120.570 -0.067 0.000 2.892 547 I HA 0.473 4.643 4.170 -0.000 0.000 0.306 547 I C -0.369 175.751 176.117 0.005 0.000 1.078 547 I CA -1.174 60.098 61.300 -0.046 0.000 1.032 547 I CB 2.057 40.024 38.000 -0.056 0.000 1.229 547 I HN -0.234 nan 8.210 nan 0.000 0.435 548 S N 1.622 117.322 115.700 0.001 0.000 2.565 548 S HA 0.230 4.700 4.470 -0.000 0.000 0.276 548 S C 1.094 175.688 174.600 -0.010 0.000 1.326 548 S CA -0.021 58.182 58.200 0.004 0.000 1.045 548 S CB 0.869 64.058 63.200 -0.018 0.000 0.918 548 S HN 0.788 nan 8.310 nan 0.000 0.505 549 S N 3.449 119.148 115.700 -0.002 0.000 2.371 549 S HA -0.074 4.396 4.470 -0.000 0.000 0.224 549 S C 1.711 176.297 174.600 -0.024 0.000 1.029 549 S CA 1.041 59.236 58.200 -0.009 0.000 0.978 549 S CB -0.421 62.780 63.200 0.002 0.000 0.833 549 S HN 0.886 nan 8.310 nan 0.000 0.466 550 S N -0.135 115.545 115.700 -0.033 0.000 2.554 550 S HA 0.314 4.784 4.470 -0.000 0.000 0.227 550 S C 0.286 174.832 174.600 -0.091 0.000 1.050 550 S CA -0.434 57.737 58.200 -0.048 0.000 0.927 550 S CB -0.128 63.054 63.200 -0.029 0.000 0.859 550 S HN 0.195 nan 8.310 nan 0.000 0.494 551 V N 3.255 123.091 119.914 -0.130 0.000 2.406 551 V HA 0.335 4.455 4.120 -0.000 0.000 0.272 551 V C 0.722 176.703 176.094 -0.189 0.000 1.043 551 V CA -0.348 61.805 62.300 -0.245 0.000 0.915 551 V CB 1.313 32.881 31.823 -0.425 0.000 0.988 551 V HN 0.358 nan 8.190 nan 0.000 0.466 552 K N 3.261 123.552 120.400 -0.181 0.000 2.418 552 K HA 0.207 4.527 4.320 -0.000 0.000 0.195 552 K C 1.072 177.607 176.600 -0.108 0.000 1.035 552 K CA 0.533 56.744 56.287 -0.127 0.000 1.003 552 K CB 0.320 32.754 32.500 -0.110 0.000 0.793 552 K HN 0.726 nan 8.250 nan 0.000 0.494 553 A N 2.034 124.766 122.820 -0.146 0.000 3.026 553 A HA 0.050 4.370 4.320 -0.000 0.000 0.272 553 A C 1.344 178.928 177.584 0.001 0.000 1.782 553 A CA -0.158 51.852 52.037 -0.045 0.000 1.451 553 A CB -0.517 18.477 19.000 -0.010 0.000 1.081 553 A HN 0.280 nan 8.150 nan 0.000 0.611 554 S N 0.406 116.109 115.700 0.006 0.000 2.428 554 S HA -0.131 4.339 4.470 -0.000 0.000 0.230 554 S C 1.786 176.408 174.600 0.036 0.000 1.014 554 S CA 1.487 59.693 58.200 0.011 0.000 0.957 554 S CB -0.321 62.880 63.200 0.001 0.000 0.784 554 S HN 0.551 nan 8.310 nan 0.000 0.499 555 S N 2.100 117.846 115.700 0.077 0.000 2.382 555 S HA 0.108 4.578 4.470 -0.000 0.000 0.228 555 S C 1.747 176.257 174.600 -0.150 0.000 1.027 555 S CA 1.333 59.564 58.200 0.052 0.000 0.991 555 S CB -0.479 62.870 63.200 0.249 0.000 0.823 555 S HN 0.536 nan 8.310 nan 0.000 0.469 556 I N 0.992 121.582 120.570 0.033 0.000 2.233 556 I HA -0.100 4.070 4.170 -0.000 0.000 0.243 556 I C 2.167 178.338 176.117 0.089 0.000 1.093 556 I CA 0.727 62.074 61.300 0.077 0.000 1.380 556 I CB -0.488 37.715 38.000 0.339 0.000 1.067 556 I HN 0.124 nan 8.210 nan 0.000 0.413 557 V N 1.362 121.344 119.914 0.114 0.000 2.332 557 V HA -0.337 3.783 4.120 -0.000 0.000 0.248 557 V C 2.759 178.915 176.094 0.102 0.000 1.055 557 V CA 2.129 64.499 62.300 0.118 0.000 1.038 557 V CB -1.127 30.733 31.823 0.063 0.000 0.651 557 V HN 0.510 nan 8.190 nan 0.000 0.450 558 A N -0.451 122.391 122.820 0.037 0.000 1.933 558 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 558 A C 2.468 180.091 177.584 0.066 0.000 1.175 558 A CA 2.204 54.265 52.037 0.041 0.000 0.628 558 A CB -0.625 18.372 19.000 -0.003 0.000 0.814 558 A HN 0.526 nan 8.150 nan 0.000 0.444 559 S N -0.161 115.524 115.700 -0.024 0.000 2.383 559 S HA -0.059 4.411 4.470 -0.000 0.000 0.227 559 S C 1.796 176.544 174.600 0.246 0.000 1.026 559 S CA 1.282 59.530 58.200 0.081 0.000 0.981 559 S CB -0.414 62.706 63.200 -0.133 0.000 0.818 559 S HN 0.518 nan 8.310 nan 0.000 0.472 560 L N -0.019 121.319 121.223 0.192 0.000 2.046 560 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 560 L C 2.217 179.182 176.870 0.158 0.000 1.077 560 L CA 1.390 56.337 54.840 0.179 0.000 0.747 560 L CB -0.485 41.681 42.059 0.178 0.000 0.896 560 L HN 0.274 nan 8.230 nan 0.000 0.432 561 F N 0.602 120.597 119.950 0.075 0.000 2.069 561 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 561 F C 2.250 178.143 175.800 0.156 0.000 1.113 561 F CA 1.640 59.709 58.000 0.114 0.000 1.214 561 F CB -0.148 38.919 39.000 0.113 0.000 0.978 561 F HN -0.132 nan 8.300 nan 0.000 0.474 562 L N 0.236 121.590 121.223 0.218 0.000 2.083 562 L HA -0.248 4.092 4.340 -0.000 0.000 0.209 562 L C 2.482 179.140 176.870 -0.354 0.000 1.083 562 L CA 1.704 56.559 54.840 0.025 0.000 0.752 562 L CB -0.780 41.309 42.059 0.049 0.000 0.899 562 L HN 0.141 nan 8.230 nan 0.000 0.433 563 K N 0.220 120.376 120.400 -0.407 0.000 2.160 563 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 563 K C 1.827 178.171 176.600 -0.427 0.000 1.047 563 K CA 1.206 57.166 56.287 -0.544 0.000 0.930 563 K CB 0.100 32.552 32.500 -0.081 0.000 0.720 563 K HN 0.245 nan 8.250 nan 0.000 0.450 564 E N -0.466 119.472 120.200 -0.437 0.000 2.409 564 E HA -0.143 4.207 4.350 -0.000 0.000 0.198 564 E C 0.736 176.761 176.600 -0.959 0.000 1.024 564 E CA 0.826 56.823 56.400 -0.672 0.000 0.861 564 E CB 0.070 29.257 29.700 -0.854 0.000 0.788 564 E HN 0.406 nan 8.360 nan 0.000 0.521 565 F N -0.310 119.396 119.950 -0.407 0.000 2.653 565 F HA 0.130 4.657 4.527 -0.000 0.000 0.304 565 F C 0.433 176.045 175.800 -0.314 0.000 1.092 565 F CA -0.160 57.645 58.000 -0.326 0.000 1.279 565 F CB 0.919 39.736 39.000 -0.305 0.000 1.044 565 F HN -0.309 nan 8.300 nan 0.000 0.564 566 V N 0.789 120.522 119.914 -0.303 0.000 2.407 566 V HA 0.222 4.342 4.120 -0.000 0.000 0.291 566 V C 0.352 176.343 176.094 -0.171 0.000 1.018 566 V CA -0.499 61.654 62.300 -0.245 0.000 0.842 566 V CB 1.638 33.242 31.823 -0.365 0.000 0.996 566 V HN 0.188 nan 8.190 nan 0.000 0.426 567 Q N 2.617 122.354 119.800 -0.105 0.000 2.134 567 Q HA 0.125 4.465 4.340 -0.000 0.000 0.195 567 Q C 0.706 176.681 176.000 -0.042 0.000 0.958 567 Q CA 0.877 56.628 55.803 -0.086 0.000 0.840 567 Q CB 0.294 28.988 28.738 -0.072 0.000 0.918 567 Q HN 0.721 nan 8.270 nan 0.000 0.467 568 N N -0.060 118.630 118.700 -0.016 0.000 2.577 568 N HA 0.100 4.840 4.740 -0.000 0.000 0.285 568 N C -1.807 173.723 175.510 0.033 0.000 1.658 568 N CA 0.115 53.170 53.050 0.009 0.000 0.865 568 N CB 1.102 39.587 38.487 -0.004 0.000 1.419 568 N HN -0.100 nan 8.380 nan 0.000 0.495 569 T N -0.216 114.377 114.554 0.065 0.000 2.893 569 T HA 0.657 5.007 4.350 -0.000 0.000 0.293 569 T C -0.326 174.489 174.700 0.193 0.000 1.027 569 T CA -0.574 61.588 62.100 0.104 0.000 0.988 569 T CB 1.782 70.707 68.868 0.096 0.000 1.043 569 T HN 0.260 nan 8.240 nan 0.000 0.461 570 A N 2.428 125.377 122.820 0.215 0.000 2.548 570 A HA 0.405 4.725 4.320 -0.000 0.000 0.247 570 A C -0.683 177.131 177.584 0.384 0.000 1.067 570 A CA 0.032 52.246 52.037 0.295 0.000 0.757 570 A CB -0.407 18.820 19.000 0.379 0.000 0.996 570 A HN 0.846 nan 8.150 nan 0.000 0.504 571 W N 2.493 123.868 121.300 0.124 0.000 3.022 571 W HA 0.621 5.281 4.660 -0.000 0.000 0.335 571 W C -0.660 175.910 176.519 0.085 0.000 1.133 571 W CA -0.038 57.373 57.345 0.110 0.000 1.219 571 W CB 1.387 30.910 29.460 0.105 0.000 1.409 571 W HN 0.948 nan 8.180 nan 0.000 0.507 572 A N 3.736 126.140 122.820 -0.693 0.000 2.475 572 A HA 0.648 4.968 4.320 -0.000 0.000 0.301 572 A C -2.224 174.917 177.584 -0.738 0.000 1.059 572 A CA -0.658 50.882 52.037 -0.828 0.000 0.710 572 A CB 1.544 20.259 19.000 -0.476 0.000 1.288 572 A HN 0.916 nan 8.150 nan 0.000 0.408 573 H N 0.953 119.640 119.070 -0.638 0.000 2.658 573 H HA 0.685 5.241 4.556 -0.000 0.000 0.337 573 H C -1.665 173.667 175.328 0.008 0.000 1.009 573 H CA -0.757 55.158 56.048 -0.222 0.000 1.231 573 H CB 0.742 30.439 29.762 -0.109 0.000 1.508 573 H HN 0.469 nan 8.280 nan 0.000 0.517 574 I N 4.623 125.032 120.570 -0.267 0.000 2.354 574 I HA 0.153 4.323 4.170 -0.000 0.000 0.286 574 I C -0.369 175.591 176.117 -0.261 0.000 1.007 574 I CA -0.643 60.527 61.300 -0.217 0.000 1.167 574 I CB 1.191 39.148 38.000 -0.071 0.000 1.320 574 I HN 0.583 nan 8.210 nan 0.000 0.458 575 D N 7.772 128.029 120.400 -0.238 0.000 2.380 575 D HA 0.245 4.885 4.640 -0.000 0.000 0.230 575 D C 0.607 176.884 176.300 -0.039 0.000 1.154 575 D CA -0.287 53.660 54.000 -0.088 0.000 0.859 575 D CB 1.015 41.865 40.800 0.083 0.000 1.045 575 D HN 0.567 nan 8.370 nan 0.000 0.495 576 I N 0.778 121.308 120.570 -0.066 0.000 3.914 576 I HA 0.348 4.518 4.170 -0.000 0.000 0.333 576 I C 1.509 177.584 176.117 -0.069 0.000 1.449 576 I CA -0.552 60.655 61.300 -0.156 0.000 1.135 576 I CB 0.556 38.454 38.000 -0.169 0.000 1.073 576 I HN 0.184 nan 8.210 nan 0.000 0.401 577 A N 1.913 124.747 122.820 0.022 0.000 1.940 577 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 577 A C 2.257 180.000 177.584 0.265 0.000 1.176 577 A CA 2.030 54.153 52.037 0.143 0.000 0.631 577 A CB -1.110 17.989 19.000 0.165 0.000 0.814 577 A HN 0.578 nan 8.150 nan 0.000 0.446 578 G N -2.021 106.877 108.800 0.163 0.000 2.603 578 G HA2 0.182 4.142 3.960 -0.000 0.000 0.214 578 G HA3 0.182 4.142 3.960 -0.000 0.000 0.214 578 G C 1.221 176.234 174.900 0.189 0.000 1.140 578 G CA 0.936 46.159 45.100 0.205 0.000 0.800 578 G HN 0.310 nan 8.290 nan 0.000 0.533 579 V N 0.149 120.071 119.914 0.013 0.000 3.471 579 V HA 0.051 4.171 4.120 -0.000 0.000 0.258 579 V C 2.747 178.806 176.094 -0.058 0.000 1.192 579 V CA 1.492 63.712 62.300 -0.132 0.000 1.116 579 V CB 0.782 32.268 31.823 -0.562 0.000 0.792 579 V HN 0.425 nan 8.190 nan 0.000 0.459 580 S N -0.713 115.025 115.700 0.062 0.000 2.371 580 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 580 S C 0.631 175.384 174.600 0.255 0.000 1.029 580 S CA 0.470 58.771 58.200 0.168 0.000 0.978 580 S CB -0.102 63.191 63.200 0.156 0.000 0.833 580 S HN 0.655 nan 8.310 nan 0.000 0.466 581 W N 2.793 124.086 121.300 -0.011 0.000 2.469 581 W HA 0.429 5.089 4.660 0.000 0.000 0.320 581 W C -0.576 175.666 176.519 -0.463 0.000 1.086 581 W CA -0.891 56.283 57.345 -0.285 0.000 1.211 581 W CB 0.832 29.901 29.460 -0.653 0.000 1.298 581 W HN 0.139 nan 8.180 nan 0.000 0.525 582 N N 5.545 123.785 118.700 -0.768 0.000 2.602 582 N HA 0.047 4.787 4.740 -0.000 0.000 0.238 582 N C 0.691 175.933 175.510 -0.446 0.000 1.084 582 N CA -0.077 52.704 53.050 -0.449 0.000 0.952 582 N CB -0.270 38.036 38.487 -0.302 0.000 1.244 582 N HN 0.303 nan 8.380 nan 0.000 0.512 583 F N 2.071 122.055 119.950 0.057 0.000 2.126 583 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 583 F C 2.079 177.928 175.800 0.083 0.000 1.096 583 F CA 1.099 59.209 58.000 0.183 0.000 1.255 583 F CB 0.085 39.185 39.000 0.166 0.000 0.997 583 F HN 0.329 nan 8.300 nan 0.000 0.479 584 K N 0.490 121.008 120.400 0.197 0.000 2.057 584 K HA 0.018 4.338 4.320 -0.000 0.000 0.206 584 K C 2.029 178.663 176.600 0.057 0.000 1.050 584 K CA 1.331 57.689 56.287 0.117 0.000 0.935 584 K CB -1.338 31.216 32.500 0.091 0.000 0.715 584 K HN 0.264 nan 8.250 nan 0.000 0.439 585 A N 1.008 123.825 122.820 -0.006 0.000 2.218 585 A HA 0.063 4.383 4.320 -0.000 0.000 0.209 585 A C 0.135 177.670 177.584 -0.080 0.000 1.168 585 A CA 0.174 52.188 52.037 -0.039 0.000 0.804 585 A CB -0.319 18.648 19.000 -0.054 0.000 0.834 585 A HN 0.364 nan 8.150 nan 0.000 0.482 586 R N -1.006 119.436 120.500 -0.096 0.000 3.423 586 R HA -0.185 4.154 4.340 -0.000 0.000 0.271 586 R C -0.326 175.806 176.300 -0.280 0.000 1.093 586 R CA 1.446 57.542 56.100 -0.005 0.000 0.730 586 R CB -2.288 28.095 30.300 0.139 0.000 1.190 586 R HN 0.836 nan 8.270 nan 0.000 0.437 587 K N -2.330 117.534 120.400 -0.893 0.000 2.556 587 K HA 0.633 4.953 4.320 -0.000 0.000 0.274 587 K C -3.191 172.568 176.600 -1.403 0.000 0.966 587 K CA -2.530 53.153 56.287 -1.006 0.000 0.865 587 K CB 2.660 34.938 32.500 -0.370 0.000 1.444 587 K HN -0.291 nan 8.250 nan 0.000 0.433 588 P HA 0.116 nan 4.420 nan 0.000 0.272 588 P C -0.381 176.859 177.300 -0.100 0.000 1.230 588 P CA -0.448 62.448 63.100 -0.340 0.000 0.788 588 P CB 0.584 32.295 31.700 0.018 0.000 0.949 589 K N 0.739 121.133 120.400 -0.009 0.000 2.356 589 K HA 0.117 4.437 4.320 -0.000 0.000 0.195 589 K C 1.156 177.710 176.600 -0.077 0.000 1.037 589 K CA 0.664 56.960 56.287 0.015 0.000 1.014 589 K CB -0.377 32.182 32.500 0.098 0.000 0.815 589 K HN 0.824 nan 8.250 nan 0.000 0.507 590 G N 2.313 111.118 108.800 0.008 0.000 2.198 590 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.260 590 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.260 590 G C -0.073 174.811 174.900 -0.026 0.000 1.025 590 G CA -0.087 44.987 45.100 -0.043 0.000 0.769 590 G HN 0.361 nan 8.290 nan 0.000 0.507 591 F N 0.646 120.556 119.950 -0.067 0.000 2.578 591 F HA 0.392 4.919 4.527 0.000 0.000 0.376 591 F C 1.550 177.322 175.800 -0.045 0.000 1.085 591 F CA 1.816 59.786 58.000 -0.049 0.000 1.260 591 F CB 0.599 39.594 39.000 -0.010 0.000 1.095 591 F HN 0.873 nan 8.300 nan 0.000 0.573 592 G N 3.255 111.811 108.800 -0.407 0.000 2.278 592 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.210 592 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.210 592 G C 0.751 175.553 174.900 -0.164 0.000 1.000 592 G CA 0.000 44.989 45.100 -0.185 0.000 0.635 592 G HN 0.646 nan 8.290 nan 0.000 0.495 593 V N 1.304 121.119 119.914 -0.164 0.000 2.261 593 V HA -0.165 3.955 4.120 -0.000 0.000 0.246 593 V C 2.863 178.810 176.094 -0.245 0.000 1.047 593 V CA 2.888 65.101 62.300 -0.144 0.000 1.015 593 V CB -0.536 31.207 31.823 -0.132 0.000 0.642 593 V HN 0.486 nan 8.190 nan 0.000 0.446 594 R N -0.654 119.649 120.500 -0.329 0.000 2.115 594 R HA -0.076 4.264 4.340 -0.000 0.000 0.226 594 R C 2.192 178.341 176.300 -0.250 0.000 1.100 594 R CA 1.150 56.990 56.100 -0.434 0.000 0.980 594 R CB -0.488 29.644 30.300 -0.280 0.000 0.875 594 R HN 0.399 nan 8.270 nan 0.000 0.445 595 L N 1.064 122.150 121.223 -0.228 0.000 2.012 595 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 595 L C 1.863 178.707 176.870 -0.043 0.000 1.073 595 L CA 1.772 56.522 54.840 -0.149 0.000 0.748 595 L CB -0.291 41.639 42.059 -0.216 0.000 0.891 595 L HN 0.127 nan 8.230 nan 0.000 0.431 596 L N -1.427 119.775 121.223 -0.035 0.000 2.109 596 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 596 L C 2.341 179.286 176.870 0.125 0.000 1.086 596 L CA 1.459 56.348 54.840 0.082 0.000 0.760 596 L CB -0.990 41.117 42.059 0.080 0.000 0.910 596 L HN 0.277 nan 8.230 nan 0.000 0.437 597 T N -0.895 113.659 114.554 -0.000 0.000 2.708 597 T HA -0.157 4.193 4.350 -0.000 0.000 0.266 597 T C 1.786 176.527 174.700 0.069 0.000 1.037 597 T CA 1.106 63.204 62.100 -0.003 0.000 1.146 597 T CB -0.120 68.634 68.868 -0.191 0.000 0.865 597 T HN 0.271 nan 8.240 nan 0.000 0.435 598 E N 0.642 120.889 120.200 0.077 0.000 2.077 598 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 598 E C 1.906 178.569 176.600 0.105 0.000 0.989 598 E CA 0.811 57.285 56.400 0.123 0.000 0.800 598 E CB -0.502 29.267 29.700 0.116 0.000 0.746 598 E HN 0.499 nan 8.360 nan 0.000 0.452 599 F N 1.788 121.721 119.950 -0.029 0.000 2.063 599 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 599 F C 2.283 178.075 175.800 -0.014 0.000 1.109 599 F CA 1.369 59.341 58.000 -0.046 0.000 1.212 599 F CB -0.551 38.405 39.000 -0.072 0.000 0.973 599 F HN -0.200 nan 8.300 nan 0.000 0.480 600 V N 0.068 119.898 119.914 -0.140 0.000 2.295 600 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 600 V C 2.435 178.444 176.094 -0.142 0.000 1.049 600 V CA 1.604 63.781 62.300 -0.204 0.000 1.024 600 V CB -0.795 31.012 31.823 -0.027 0.000 0.648 600 V HN 0.297 nan 8.190 nan 0.000 0.447 601 L N 0.352 121.547 121.223 -0.047 0.000 2.046 601 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 601 L C 2.110 178.954 176.870 -0.043 0.000 1.077 601 L CA 1.875 56.705 54.840 -0.018 0.000 0.747 601 L CB -1.464 40.622 42.059 0.046 0.000 0.896 601 L HN 0.423 nan 8.230 nan 0.000 0.432 602 N N -1.079 117.586 118.700 -0.059 0.000 2.142 602 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 602 N C 0.395 175.849 175.510 -0.094 0.000 1.023 602 N CA 0.598 53.613 53.050 -0.059 0.000 0.852 602 N CB 0.007 38.470 38.487 -0.040 0.000 0.998 602 N HN 0.386 nan 8.380 nan 0.000 0.424 603 D N 0.000 120.289 120.400 -0.184 0.000 6.856 603 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 603 D CA 0.000 53.905 54.000 -0.158 0.000 0.868 603 D CB 0.000 40.635 40.800 -0.275 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683