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 3kr5_1_C 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 0.000 174.636 174.600 0.060 0.000 1.055 86 S CA 0.000 58.239 58.200 0.065 0.000 1.107 86 S CB 0.000 63.238 63.200 0.063 0.000 0.593 87 E N 3.299 123.534 120.200 0.058 0.000 2.104 87 E HA 0.355 4.705 4.350 0.001 0.000 0.278 87 E C -0.821 175.821 176.600 0.070 0.000 1.127 87 E CA -0.132 56.301 56.400 0.054 0.000 0.897 87 E CB 0.626 30.353 29.700 0.044 0.000 1.043 87 E HN 0.165 nan 8.360 nan 0.000 0.410 88 V N 8.369 128.327 119.914 0.072 0.000 2.458 88 V HA 0.063 4.184 4.120 0.001 0.000 0.287 88 V C -1.623 174.541 176.094 0.117 0.000 1.009 88 V CA -1.021 61.344 62.300 0.109 0.000 1.091 88 V CB 0.095 31.964 31.823 0.078 0.000 0.960 88 V HN 0.765 nan 8.190 nan 0.000 0.476 89 P HA 0.184 nan 4.420 nan 0.000 0.268 89 P C -0.786 176.561 177.300 0.079 0.000 1.205 89 P CA -0.178 62.962 63.100 0.067 0.000 0.771 89 P CB 0.757 32.447 31.700 -0.016 0.000 0.858 90 Q N 0.929 120.739 119.800 0.017 0.000 2.356 90 Q HA 0.269 4.609 4.340 0.001 0.000 0.270 90 Q C 0.763 176.744 176.000 -0.031 0.000 1.058 90 Q CA -0.875 54.932 55.803 0.006 0.000 0.802 90 Q CB 2.456 31.195 28.738 0.002 0.000 1.303 90 Q HN 0.092 nan 8.270 nan 0.000 0.444 91 V N 1.255 121.144 119.914 -0.042 0.000 2.446 91 V HA -0.023 4.097 4.120 0.001 0.000 0.244 91 V C 0.659 176.732 176.094 -0.035 0.000 1.039 91 V CA 0.860 63.130 62.300 -0.050 0.000 1.045 91 V CB 0.348 32.136 31.823 -0.059 0.000 0.681 91 V HN 0.634 nan 8.190 nan 0.000 0.459 92 V N -2.113 117.782 119.914 -0.031 0.000 2.769 92 V HA 0.555 4.675 4.120 0.001 0.000 0.312 92 V C 1.214 177.294 176.094 -0.023 0.000 1.061 92 V CA 0.019 62.303 62.300 -0.026 0.000 0.931 92 V CB 1.417 33.225 31.823 -0.025 0.000 1.010 92 V HN 0.269 nan 8.190 nan 0.000 0.433 93 S N 3.096 118.786 115.700 -0.018 0.000 2.484 93 S HA -0.140 4.331 4.470 0.001 0.000 0.250 93 S C 1.162 175.751 174.600 -0.018 0.000 0.995 93 S CA 1.888 60.079 58.200 -0.014 0.000 0.967 93 S CB -0.880 62.315 63.200 -0.009 0.000 0.752 93 S HN 0.825 nan 8.310 nan 0.000 0.517 94 L N 0.748 121.957 121.223 -0.023 0.000 2.592 94 L HA 0.305 4.646 4.340 0.001 0.000 0.227 94 L C 0.070 176.905 176.870 -0.058 0.000 1.127 94 L CA -0.237 54.586 54.840 -0.029 0.000 0.884 94 L CB -0.375 41.673 42.059 -0.019 0.000 1.065 94 L HN 0.131 nan 8.230 nan 0.000 0.457 95 D N 2.383 122.746 120.400 -0.062 0.000 2.389 95 D HA 0.178 4.818 4.640 0.001 0.000 0.247 95 D C -2.062 174.162 176.300 -0.127 0.000 1.128 95 D CA -1.185 52.755 54.000 -0.100 0.000 0.884 95 D CB 1.130 41.900 40.800 -0.051 0.000 1.194 95 D HN -0.021 nan 8.370 nan 0.000 0.441 96 P HA 0.114 nan 4.420 nan 0.000 0.279 96 P C 0.298 177.516 177.300 -0.136 0.000 1.252 96 P CA -0.249 62.696 63.100 -0.257 0.000 0.811 96 P CB 0.952 32.226 31.700 -0.711 0.000 1.035 97 T N -3.383 111.144 114.554 -0.044 0.000 3.040 97 T HA 0.263 4.614 4.350 0.001 0.000 0.266 97 T C 0.427 175.141 174.700 0.024 0.000 1.005 97 T CA -0.111 61.988 62.100 -0.001 0.000 0.906 97 T CB -0.437 68.439 68.868 0.014 0.000 1.082 97 T HN 0.557 nan 8.240 nan 0.000 0.531 98 S N 0.531 116.262 115.700 0.051 0.000 2.607 98 S HA 0.701 5.172 4.470 0.001 0.000 0.273 98 S C -0.962 173.724 174.600 0.143 0.000 1.148 98 S CA -1.192 57.053 58.200 0.074 0.000 0.833 98 S CB 0.895 64.134 63.200 0.064 0.000 1.130 98 S HN 0.296 nan 8.310 nan 0.000 0.470 99 I N 2.701 123.335 120.570 0.107 0.000 2.379 99 I HA 0.299 4.469 4.170 0.001 0.000 0.290 99 I C -2.106 174.026 176.117 0.025 0.000 1.063 99 I CA -2.003 59.368 61.300 0.118 0.000 1.351 99 I CB 0.519 38.543 38.000 0.040 0.000 1.410 99 I HN 0.441 nan 8.210 nan 0.000 0.505 100 P HA 0.178 nan 4.420 nan 0.000 0.264 100 P C -0.726 176.439 177.300 -0.225 0.000 1.193 100 P CA 0.357 63.357 63.100 -0.168 0.000 0.763 100 P CB 0.643 32.112 31.700 -0.384 0.000 0.810 101 I N 1.385 121.824 120.570 -0.218 0.000 2.647 101 I HA 0.324 4.494 4.170 0.001 0.000 0.295 101 I C 0.311 176.221 176.117 -0.345 0.000 1.078 101 I CA -0.681 60.411 61.300 -0.346 0.000 1.048 101 I CB 2.710 40.419 38.000 -0.484 0.000 1.239 101 I HN 0.257 nan 8.210 nan 0.000 0.421 102 E N 4.288 124.323 120.200 -0.276 0.000 2.114 102 E HA 0.307 4.657 4.350 0.001 0.000 0.266 102 E C -0.646 175.910 176.600 -0.073 0.000 0.896 102 E CA -0.249 56.073 56.400 -0.129 0.000 0.750 102 E CB 0.851 30.538 29.700 -0.020 0.000 1.121 102 E HN 0.578 nan 8.360 nan 0.000 0.413 103 Y N 2.704 123.015 120.300 0.020 0.000 2.230 103 Y HA 0.053 4.603 4.550 0.001 0.000 0.294 103 Y C 0.749 176.316 175.900 -0.555 0.000 1.120 103 Y CA 0.260 58.211 58.100 -0.248 0.000 1.129 103 Y CB 0.235 38.546 38.460 -0.249 0.000 1.040 103 Y HN 0.425 nan 8.280 nan 0.000 0.519 104 N N 1.290 119.887 118.700 -0.172 0.000 2.739 104 N HA 0.087 4.828 4.740 0.001 0.000 0.266 104 N C -0.421 174.985 175.510 -0.173 0.000 1.168 104 N CA -0.218 52.682 53.050 -0.249 0.000 1.055 104 N CB 0.364 38.766 38.487 -0.141 0.000 1.393 104 N HN 0.173 nan 8.380 nan 0.000 0.514 105 T N -1.070 113.387 114.554 -0.162 0.000 2.849 105 T HA 0.241 4.592 4.350 0.001 0.000 0.284 105 T C -1.612 172.972 174.700 -0.194 0.000 1.004 105 T CA -1.771 60.274 62.100 -0.093 0.000 1.021 105 T CB 1.453 70.370 68.868 0.081 0.000 1.013 105 T HN 0.035 nan 8.240 nan 0.000 0.527 106 P HA -0.054 nan 4.420 nan 0.000 0.218 106 P C 1.720 178.757 177.300 -0.437 0.000 1.148 106 P CA 0.524 63.288 63.100 -0.561 0.000 0.822 106 P CB -0.088 30.807 31.700 -1.341 0.000 0.784 107 I N -0.842 119.457 120.570 -0.452 0.000 2.151 107 I HA -0.272 3.898 4.170 0.001 0.000 0.243 107 I C 2.046 177.866 176.117 -0.495 0.000 1.080 107 I CA 2.023 63.010 61.300 -0.523 0.000 1.339 107 I CB -1.762 35.729 38.000 -0.848 0.000 1.039 107 I HN 0.133 nan 8.210 nan 0.000 0.409 108 H N 0.728 119.602 119.070 -0.328 0.000 2.457 108 H HA -0.129 4.427 4.556 0.001 0.000 0.297 108 H C 1.376 176.573 175.328 -0.218 0.000 1.092 108 H CA 1.302 57.203 56.048 -0.244 0.000 1.309 108 H CB -0.208 29.448 29.762 -0.177 0.000 1.382 108 H HN 0.340 nan 8.280 nan 0.000 0.535 109 D N 0.034 120.363 120.400 -0.119 0.000 2.349 109 D HA 0.035 4.676 4.640 0.001 0.000 0.224 109 D C 0.118 176.322 176.300 -0.161 0.000 1.029 109 D CA 0.247 54.172 54.000 -0.124 0.000 0.879 109 D CB 0.119 40.847 40.800 -0.120 0.000 0.906 109 D HN 0.365 nan 8.370 nan 0.000 0.528 110 I N 1.134 121.586 120.570 -0.197 0.000 2.379 110 I HA -0.054 4.117 4.170 0.001 0.000 0.290 110 I C 0.669 176.697 176.117 -0.148 0.000 1.063 110 I CA -0.221 60.977 61.300 -0.169 0.000 1.351 110 I CB 0.830 38.746 38.000 -0.141 0.000 1.410 110 I HN -0.382 nan 8.210 nan 0.000 0.505 111 K N 6.470 126.769 120.400 -0.169 0.000 2.349 111 K HA 0.279 4.600 4.320 0.001 0.000 0.289 111 K C -0.580 176.019 176.600 -0.002 0.000 1.064 111 K CA -0.389 55.847 56.287 -0.084 0.000 0.947 111 K CB 0.570 33.027 32.500 -0.072 0.000 1.007 111 K HN 0.412 nan 8.250 nan 0.000 0.478 112 V N 5.481 125.396 119.914 0.001 0.000 2.427 112 V HA 0.422 4.543 4.120 0.001 0.000 0.286 112 V C -0.081 175.986 176.094 -0.045 0.000 1.034 112 V CA -0.691 61.620 62.300 0.018 0.000 0.893 112 V CB 1.673 33.536 31.823 0.066 0.000 0.982 112 V HN 0.755 nan 8.190 nan 0.000 0.452 113 Q N 3.140 122.863 119.800 -0.130 0.000 2.337 113 Q HA 0.607 4.947 4.340 0.001 0.000 0.270 113 Q C -1.228 174.399 176.000 -0.621 0.000 1.043 113 Q CA -0.526 55.048 55.803 -0.382 0.000 0.794 113 Q CB 2.744 31.228 28.738 -0.424 0.000 1.281 113 Q HN 0.565 nan 8.270 nan 0.000 0.446 114 V N 3.063 122.602 119.914 -0.626 0.000 2.513 114 V HA 0.546 4.666 4.120 0.001 0.000 0.299 114 V C -0.918 174.754 176.094 -0.704 0.000 1.035 114 V CA -0.727 61.241 62.300 -0.553 0.000 0.889 114 V CB 0.971 32.660 31.823 -0.222 0.000 0.988 114 V HN 0.619 nan 8.190 nan 0.000 0.440 115 Y N 0.492 120.636 120.300 -0.260 0.000 2.562 115 Y HA 0.437 4.987 4.550 0.001 0.000 0.343 115 Y C 0.262 176.140 175.900 -0.037 0.000 1.025 115 Y CA -1.060 56.924 58.100 -0.193 0.000 1.082 115 Y CB 1.424 39.643 38.460 -0.401 0.000 1.264 115 Y HN 0.501 nan 8.280 nan 0.000 0.478 116 D N 2.024 122.553 120.400 0.216 0.000 2.339 116 D HA 0.025 4.666 4.640 0.001 0.000 0.256 116 D C 1.056 177.508 176.300 0.254 0.000 1.214 116 D CA 0.361 54.465 54.000 0.173 0.000 0.877 116 D CB 1.005 41.871 40.800 0.110 0.000 1.111 116 D HN 0.658 nan 8.370 nan 0.000 0.478 117 I N 4.307 125.024 120.570 0.245 0.000 2.141 117 I HA -0.448 3.722 4.170 0.001 0.000 0.243 117 I C 2.546 178.740 176.117 0.128 0.000 1.035 117 I CA 2.284 63.709 61.300 0.208 0.000 1.302 117 I CB -0.030 38.059 38.000 0.149 0.000 1.006 117 I HN 0.399 nan 8.210 nan 0.000 0.413 118 K N 0.098 120.558 120.400 0.101 0.000 2.515 118 K HA 0.128 4.448 4.320 0.001 0.000 0.196 118 K C 1.799 178.435 176.600 0.060 0.000 1.038 118 K CA 0.929 57.256 56.287 0.067 0.000 0.967 118 K CB -1.618 30.914 32.500 0.054 0.000 0.780 118 K HN 0.623 nan 8.250 nan 0.000 0.483 119 G N -0.094 108.756 108.800 0.083 0.000 2.777 119 G HA2 0.424 4.384 3.960 0.001 0.000 0.211 119 G HA3 0.424 4.384 3.960 0.001 0.000 0.211 119 G C 0.819 175.742 174.900 0.038 0.000 1.149 119 G CA 0.135 45.275 45.100 0.067 0.000 0.785 119 G HN 1.183 nan 8.290 nan 0.000 0.536 120 G N -1.490 107.322 108.800 0.020 0.000 2.721 120 G HA2 -0.084 3.877 3.960 0.001 0.000 0.686 120 G HA3 -0.084 3.877 3.960 0.001 0.000 0.686 120 G C -0.263 174.504 174.900 -0.222 0.000 1.236 120 G CA -0.539 44.520 45.100 -0.069 0.000 0.786 120 G HN 0.754 nan 8.290 nan 0.000 0.616 121 C N 2.544 121.605 119.300 -0.398 0.000 2.303 121 C HA 0.510 4.971 4.460 0.001 0.000 0.341 121 C C 0.416 175.215 174.990 -0.319 0.000 1.244 121 C CA -1.596 56.957 59.018 -0.776 0.000 1.765 121 C CB -0.113 27.145 27.740 -0.802 0.000 2.379 121 C HN 0.672 nan 8.230 nan 0.000 0.530 122 N N 1.966 120.546 118.700 -0.201 0.000 2.458 122 N HA 0.269 5.010 4.740 0.001 0.000 0.270 122 N C -0.606 174.877 175.510 -0.045 0.000 1.102 122 N CA -0.129 52.874 53.050 -0.078 0.000 0.967 122 N CB 1.151 39.610 38.487 -0.046 0.000 1.078 122 N HN 0.474 nan 8.380 nan 0.000 0.471 123 V N 2.551 122.450 119.914 -0.025 0.000 2.275 123 V HA 0.185 4.305 4.120 0.001 0.000 0.272 123 V C 0.923 177.015 176.094 -0.002 0.000 1.028 123 V CA -0.245 62.054 62.300 -0.003 0.000 0.810 123 V CB 0.837 32.671 31.823 0.018 0.000 1.043 123 V HN 0.677 nan 8.190 nan 0.000 0.453 124 E N 3.207 123.410 120.200 0.006 0.000 2.421 124 E HA 0.195 4.546 4.350 0.001 0.000 0.209 124 E C 0.275 176.879 176.600 0.006 0.000 0.871 124 E CA 0.288 56.691 56.400 0.004 0.000 1.064 124 E CB 1.313 31.014 29.700 0.002 0.000 1.075 124 E HN 0.949 nan 8.360 nan 0.000 0.513 125 E N -1.622 118.583 120.200 0.008 0.000 2.429 125 E HA 0.426 4.777 4.350 0.001 0.000 0.277 125 E C 0.494 177.103 176.600 0.015 0.000 1.130 125 E CA -0.601 55.805 56.400 0.011 0.000 0.875 125 E CB 0.267 29.971 29.700 0.006 0.000 1.443 125 E HN 0.027 nan 8.360 nan 0.000 0.444 126 G N 0.120 108.933 108.800 0.021 0.000 2.661 126 G HA2 -0.247 3.713 3.960 0.001 0.000 0.327 126 G HA3 -0.247 3.713 3.960 0.001 0.000 0.327 126 G C -0.553 174.352 174.900 0.009 0.000 1.320 126 G CA 0.934 46.048 45.100 0.023 0.000 0.997 126 G HN 0.905 nan 8.290 nan 0.000 0.543 127 L N -0.049 121.172 121.223 -0.003 0.000 2.386 127 L HA 0.762 5.102 4.340 0.001 0.000 0.271 127 L C -0.249 176.595 176.870 -0.044 0.000 0.993 127 L CA -0.056 54.766 54.840 -0.030 0.000 0.819 127 L CB 2.461 44.492 42.059 -0.048 0.000 1.294 127 L HN 0.701 nan 8.230 nan 0.000 0.414 128 T N 6.230 120.751 114.554 -0.055 0.000 2.963 128 T HA 0.551 4.901 4.350 0.001 0.000 0.328 128 T C -0.652 173.987 174.700 -0.101 0.000 1.048 128 T CA -0.254 61.799 62.100 -0.078 0.000 1.033 128 T CB 0.532 69.377 68.868 -0.039 0.000 1.010 128 T HN 0.248 nan 8.240 nan 0.000 0.469 129 I N 3.295 123.757 120.570 -0.179 0.000 2.377 129 I HA 0.492 4.662 4.170 0.001 0.000 0.293 129 I C -0.395 175.591 176.117 -0.218 0.000 0.987 129 I CA -1.683 59.533 61.300 -0.139 0.000 1.185 129 I CB 0.883 38.775 38.000 -0.180 0.000 1.341 129 I HN 0.499 nan 8.210 nan 0.000 0.455 130 F N 5.750 125.679 119.950 -0.035 0.000 2.408 130 F HA 0.435 4.962 4.527 0.001 0.000 0.344 130 F C 0.297 176.074 175.800 -0.038 0.000 1.112 130 F CA -0.560 57.428 58.000 -0.019 0.000 1.096 130 F CB 0.913 39.939 39.000 0.045 0.000 1.129 130 F HN 0.116 nan 8.300 nan 0.000 0.486 131 L N 5.120 126.329 121.223 -0.024 0.000 2.265 131 L HA 0.644 4.985 4.340 0.001 0.000 0.288 131 L C -0.508 176.389 176.870 0.046 0.000 1.058 131 L CA -0.868 53.937 54.840 -0.059 0.000 0.809 131 L CB 0.737 42.606 42.059 -0.318 0.000 1.179 131 L HN 0.434 nan 8.230 nan 0.000 0.429 132 V N 0.722 120.692 119.914 0.093 0.000 2.760 132 V HA 0.681 4.801 4.120 0.001 0.000 0.309 132 V C -0.871 175.247 176.094 0.040 0.000 1.077 132 V CA -0.665 61.668 62.300 0.055 0.000 0.910 132 V CB 1.899 33.719 31.823 -0.005 0.000 1.008 132 V HN 0.842 nan 8.190 nan 0.000 0.424 133 N N 2.319 121.037 118.700 0.031 0.000 2.381 133 N HA 0.412 5.153 4.740 0.001 0.000 0.294 133 N C -1.395 174.124 175.510 0.014 0.000 1.216 133 N CA -0.637 52.432 53.050 0.033 0.000 0.803 133 N CB 2.513 41.029 38.487 0.048 0.000 1.372 133 N HN 0.852 nan 8.380 nan 0.000 0.500 134 N N 0.534 119.244 118.700 0.017 0.000 2.569 134 N HA 0.295 5.036 4.740 0.001 0.000 0.254 134 N C -2.783 172.738 175.510 0.019 0.000 1.004 134 N CA -1.377 51.679 53.050 0.009 0.000 0.904 134 N CB 1.470 39.957 38.487 0.001 0.000 1.165 134 N HN 0.316 nan 8.380 nan 0.000 0.513 135 P HA 0.184 nan 4.420 nan 0.000 0.269 135 P C 0.637 177.950 177.300 0.021 0.000 1.252 135 P CA 0.618 63.733 63.100 0.025 0.000 0.780 135 P CB 0.780 32.496 31.700 0.026 0.000 0.829 136 G N 1.627 110.441 108.800 0.023 0.000 2.601 136 G HA2 -0.161 3.800 3.960 0.001 0.000 0.233 136 G HA3 -0.161 3.800 3.960 0.001 0.000 0.233 136 G C 0.292 175.203 174.900 0.018 0.000 1.896 136 G CA -0.135 44.977 45.100 0.020 0.000 1.514 136 G HN 0.661 nan 8.290 nan 0.000 0.512 137 K N 1.538 121.947 120.400 0.014 0.000 2.440 137 K HA 0.513 4.833 4.320 0.001 0.000 0.275 137 K C 0.440 177.051 176.600 0.018 0.000 1.082 137 K CA 1.964 58.258 56.287 0.013 0.000 1.135 137 K CB -1.426 31.078 32.500 0.007 0.000 0.864 137 K HN 2.138 nan 8.250 nan 0.000 0.479 138 E N 2.519 122.731 120.200 0.020 0.000 2.220 138 E HA 0.370 4.721 4.350 0.001 0.000 0.272 138 E C 0.389 177.005 176.600 0.027 0.000 1.099 138 E CA 0.089 56.504 56.400 0.026 0.000 0.907 138 E CB -0.508 29.207 29.700 0.026 0.000 1.022 138 E HN 0.859 nan 8.360 nan 0.000 0.428 139 N N 0.453 119.174 118.700 0.034 0.000 2.920 139 N HA -0.093 4.647 4.740 0.001 0.000 0.247 139 N C 0.465 175.994 175.510 0.032 0.000 1.123 139 N CA 0.742 53.817 53.050 0.041 0.000 0.711 139 N CB -1.203 37.309 38.487 0.041 0.000 1.065 139 N HN 0.964 nan 8.380 nan 0.000 0.554 140 G N 0.098 108.911 108.800 0.022 0.000 2.667 140 G HA2 0.410 4.370 3.960 0.001 0.000 0.250 140 G HA3 0.410 4.370 3.960 0.001 0.000 0.250 140 G C -2.139 172.758 174.900 -0.004 0.000 1.212 140 G CA -0.699 44.404 45.100 0.006 0.000 0.874 140 G HN 0.042 nan 8.290 nan 0.000 0.561 141 P HA 0.076 nan 4.420 nan 0.000 0.270 141 P C -0.233 177.025 177.300 -0.070 0.000 1.227 141 P CA -0.251 62.826 63.100 -0.038 0.000 0.788 141 P CB 0.657 32.330 31.700 -0.045 0.000 0.926 142 V N 3.060 122.914 119.914 -0.100 0.000 2.364 142 V HA 0.174 4.295 4.120 0.001 0.000 0.272 142 V C 0.653 176.673 176.094 -0.124 0.000 1.036 142 V CA 0.031 62.216 62.300 -0.193 0.000 0.880 142 V CB 0.188 31.753 31.823 -0.429 0.000 0.991 142 V HN 0.401 nan 8.190 nan 0.000 0.460 143 K N 5.649 125.985 120.400 -0.107 0.000 2.425 143 K HA 0.510 4.831 4.320 0.001 0.000 0.259 143 K C -0.999 175.542 176.600 -0.098 0.000 0.978 143 K CA -0.806 55.427 56.287 -0.091 0.000 0.883 143 K CB 1.833 34.295 32.500 -0.062 0.000 1.110 143 K HN 0.386 nan 8.250 nan 0.000 0.436 144 I N 3.551 124.034 120.570 -0.146 0.000 2.406 144 I HA -0.019 4.152 4.170 0.001 0.000 0.293 144 I C 1.228 177.281 176.117 -0.106 0.000 1.101 144 I CA 0.429 61.608 61.300 -0.202 0.000 1.334 144 I CB 0.149 37.878 38.000 -0.452 0.000 1.421 144 I HN 0.628 nan 8.210 nan 0.000 0.513 145 S N 3.611 119.297 115.700 -0.024 0.000 2.348 145 S HA -0.044 4.427 4.470 0.001 0.000 0.219 145 S C 0.941 175.559 174.600 0.030 0.000 1.033 145 S CA 0.178 58.384 58.200 0.010 0.000 0.974 145 S CB -0.224 62.999 63.200 0.038 0.000 0.868 145 S HN 0.723 nan 8.310 nan 0.000 0.459 146 S N 2.639 118.395 115.700 0.092 0.000 2.593 146 S HA 0.335 4.805 4.470 0.001 0.000 0.300 146 S C 0.262 174.894 174.600 0.054 0.000 1.267 146 S CA -0.114 58.151 58.200 0.108 0.000 1.065 146 S CB -0.207 63.128 63.200 0.225 0.000 0.807 146 S HN 0.654 nan 8.310 nan 0.000 0.499 147 K N 2.172 122.588 120.400 0.026 0.000 2.451 147 K HA 0.400 4.720 4.320 0.001 0.000 0.280 147 K C -0.312 176.284 176.600 -0.006 0.000 1.020 147 K CA -0.349 55.941 56.287 0.005 0.000 1.008 147 K CB -0.055 32.446 32.500 0.001 0.000 0.917 147 K HN 0.558 nan 8.250 nan 0.000 0.478 148 V N 3.365 123.277 119.914 -0.004 0.000 2.384 148 V HA 0.209 4.329 4.120 0.001 0.000 0.287 148 V C -0.217 175.864 176.094 -0.020 0.000 1.020 148 V CA -1.214 61.082 62.300 -0.006 0.000 0.850 148 V CB 1.599 33.445 31.823 0.037 0.000 0.987 148 V HN 0.903 nan 8.190 nan 0.000 0.436 149 N N 4.538 123.213 118.700 -0.042 0.000 3.254 149 N HA 0.172 4.912 4.740 0.001 0.000 0.308 149 N C -0.428 175.071 175.510 -0.019 0.000 1.281 149 N CA 0.239 53.270 53.050 -0.031 0.000 1.212 149 N CB -0.086 38.376 38.487 -0.042 0.000 1.478 149 N HN 0.789 nan 8.380 nan 0.000 0.548 150 D N -0.583 119.812 120.400 -0.008 0.000 2.400 150 D HA 0.046 4.687 4.640 0.001 0.000 0.197 150 D C 0.755 177.059 176.300 0.008 0.000 1.295 150 D CA -0.210 53.791 54.000 0.000 0.000 0.878 150 D CB 0.666 41.466 40.800 0.001 0.000 1.659 150 D HN 0.150 nan 8.370 nan 0.000 0.546 151 K N 2.500 122.905 120.400 0.009 0.000 2.074 151 K HA -0.208 4.113 4.320 0.001 0.000 0.209 151 K C 1.721 178.335 176.600 0.024 0.000 1.048 151 K CA 1.546 57.840 56.287 0.012 0.000 0.926 151 K CB -0.538 31.968 32.500 0.010 0.000 0.713 151 K HN 0.536 nan 8.250 nan 0.000 0.444 152 Q N -0.177 119.642 119.800 0.032 0.000 2.096 152 Q HA -0.024 4.316 4.340 0.001 0.000 0.197 152 Q C 2.388 178.430 176.000 0.070 0.000 0.964 152 Q CA 1.464 57.299 55.803 0.053 0.000 0.838 152 Q CB -0.157 28.615 28.738 0.056 0.000 0.906 152 Q HN 0.463 nan 8.270 nan 0.000 0.444 153 V N 0.743 120.679 119.914 0.037 0.000 2.358 153 V HA -0.203 3.917 4.120 0.001 0.000 0.246 153 V C 2.369 178.505 176.094 0.070 0.000 1.047 153 V CA 1.715 64.037 62.300 0.036 0.000 1.035 153 V CB -0.712 31.119 31.823 0.013 0.000 0.658 153 V HN 0.234 nan 8.190 nan 0.000 0.452 154 S N -0.418 115.303 115.700 0.036 0.000 2.365 154 S HA -0.265 4.206 4.470 0.001 0.000 0.225 154 S C 2.214 176.826 174.600 0.020 0.000 1.039 154 S CA 1.897 60.105 58.200 0.014 0.000 1.033 154 S CB -0.310 62.891 63.200 0.001 0.000 0.887 154 S HN 0.660 nan 8.310 nan 0.000 0.447 155 E N 0.219 120.440 120.200 0.035 0.000 2.077 155 E HA -0.132 4.218 4.350 0.001 0.000 0.193 155 E C 1.681 178.288 176.600 0.011 0.000 0.989 155 E CA 1.103 57.513 56.400 0.016 0.000 0.800 155 E CB -0.629 29.081 29.700 0.017 0.000 0.746 155 E HN 0.632 nan 8.360 nan 0.000 0.452 156 F N 0.718 120.619 119.950 -0.082 0.000 2.065 156 F HA -0.147 4.380 4.527 0.001 0.000 0.298 156 F C 1.978 177.681 175.800 -0.163 0.000 1.112 156 F CA 2.068 59.998 58.000 -0.118 0.000 1.212 156 F CB -0.103 38.826 39.000 -0.119 0.000 0.975 156 F HN 0.146 nan 8.300 nan 0.000 0.476 157 L N -0.361 120.905 121.223 0.072 0.000 2.591 157 L HA 0.006 4.347 4.340 0.001 0.000 0.228 157 L C 0.710 177.516 176.870 -0.107 0.000 1.133 157 L CA -0.116 54.696 54.840 -0.048 0.000 0.880 157 L CB -0.819 41.192 42.059 -0.081 0.000 1.033 157 L HN -0.320 nan 8.230 nan 0.000 0.450 158 K N 0.859 121.201 120.400 -0.096 0.000 2.543 158 K HA -0.131 4.190 4.320 0.001 0.000 0.279 158 K C 0.819 177.353 176.600 -0.109 0.000 1.001 158 K CA 0.143 56.373 56.287 -0.094 0.000 1.088 158 K CB 0.215 32.662 32.500 -0.088 0.000 0.863 158 K HN 0.201 nan 8.250 nan 0.000 0.488 159 D N 2.066 122.411 120.400 -0.092 0.000 2.200 159 D HA -0.202 4.439 4.640 0.001 0.000 0.192 159 D C 1.972 178.212 176.300 -0.100 0.000 1.008 159 D CA 1.988 55.935 54.000 -0.088 0.000 0.872 159 D CB -0.083 40.674 40.800 -0.071 0.000 0.923 159 D HN 0.633 nan 8.370 nan 0.000 0.447 160 E N 0.403 120.541 120.200 -0.104 0.000 2.086 160 E HA -0.191 4.160 4.350 0.001 0.000 0.200 160 E C 1.871 178.377 176.600 -0.157 0.000 1.012 160 E CA 1.230 57.559 56.400 -0.117 0.000 0.812 160 E CB -0.559 29.077 29.700 -0.106 0.000 0.743 160 E HN 0.443 nan 8.360 nan 0.000 0.453 161 N N -0.599 117.989 118.700 -0.187 0.000 2.331 161 N HA 0.012 4.752 4.740 0.001 0.000 0.180 161 N C 1.455 176.839 175.510 -0.211 0.000 1.019 161 N CA 0.968 53.859 53.050 -0.264 0.000 0.881 161 N CB -0.082 38.169 38.487 -0.394 0.000 0.972 161 N HN 0.269 nan 8.380 nan 0.000 0.435 162 M N 0.073 119.604 119.600 -0.115 0.000 2.441 162 M HA 0.060 4.541 4.480 0.001 0.000 0.244 162 M C 1.615 177.914 176.300 -0.002 0.000 1.122 162 M CA 0.409 55.757 55.300 0.079 0.000 1.041 162 M CB -0.300 32.308 32.600 0.014 0.000 1.438 162 M HN 0.125 nan 8.290 nan 0.000 0.484 163 E N 2.124 122.243 120.200 -0.136 0.000 2.204 163 E HA -0.189 4.161 4.350 0.001 0.000 0.194 163 E C 1.641 178.126 176.600 -0.191 0.000 0.989 163 E CA 1.609 57.929 56.400 -0.133 0.000 0.824 163 E CB -0.309 29.316 29.700 -0.125 0.000 0.756 163 E HN 0.585 nan 8.360 nan 0.000 0.477 164 K N -0.012 120.154 120.400 -0.390 0.000 2.217 164 K HA -0.029 4.292 4.320 0.001 0.000 0.202 164 K C -0.121 176.252 176.600 -0.379 0.000 1.051 164 K CA 0.493 56.502 56.287 -0.463 0.000 0.952 164 K CB -0.374 31.724 32.500 -0.669 0.000 0.736 164 K HN 0.091 nan 8.250 nan 0.000 0.453 165 F N 2.979 122.966 119.950 0.061 0.000 2.384 165 F HA 0.174 4.701 4.527 0.001 0.000 0.338 165 F C 0.632 176.463 175.800 0.052 0.000 1.103 165 F CA -1.358 56.732 58.000 0.149 0.000 1.157 165 F CB 0.541 39.743 39.000 0.337 0.000 1.167 165 F HN 0.132 nan 8.300 nan 0.000 0.529 166 N N 0.081 118.947 118.700 0.277 0.000 2.563 166 N HA 0.473 5.213 4.740 0.001 0.000 0.288 166 N C -0.166 175.438 175.510 0.157 0.000 1.246 166 N CA -0.666 52.471 53.050 0.144 0.000 0.946 166 N CB 1.211 39.763 38.487 0.109 0.000 1.213 166 N HN 0.390 nan 8.380 nan 0.000 0.578 167 V N -4.847 115.125 119.914 0.097 0.000 3.427 167 V HA 0.358 4.479 4.120 0.001 0.000 0.305 167 V C 0.502 176.677 176.094 0.136 0.000 1.412 167 V CA -0.411 61.955 62.300 0.110 0.000 1.086 167 V CB -1.279 30.562 31.823 0.030 0.000 0.964 167 V HN 0.714 nan 8.190 nan 0.000 0.439 168 K N 2.269 122.745 120.400 0.126 0.000 2.401 168 K HA -0.090 4.231 4.320 0.001 0.000 0.267 168 K C -0.061 176.603 176.600 0.107 0.000 1.140 168 K CA 0.137 56.485 56.287 0.101 0.000 1.199 168 K CB -0.552 32.004 32.500 0.093 0.000 0.822 168 K HN 0.549 nan 8.250 nan 0.000 0.488 169 L N 5.306 126.583 121.223 0.089 0.000 2.822 169 L HA -0.056 4.284 4.340 0.001 0.000 0.288 169 L C 1.302 178.214 176.870 0.070 0.000 1.182 169 L CA 2.388 57.277 54.840 0.082 0.000 0.936 169 L CB -0.384 41.718 42.059 0.072 0.000 1.269 169 L HN 0.962 nan 8.230 nan 0.000 0.476 170 G N 1.799 110.635 108.800 0.060 0.000 2.232 170 G HA2 -0.261 3.699 3.960 0.001 0.000 0.226 170 G HA3 -0.261 3.699 3.960 0.001 0.000 0.226 170 G C 0.565 175.468 174.900 0.006 0.000 0.996 170 G CA 0.099 45.215 45.100 0.027 0.000 0.626 170 G HN 0.842 nan 8.290 nan 0.000 0.509 171 T N 1.844 116.422 114.554 0.041 0.000 2.946 171 T HA 0.473 4.823 4.350 0.001 0.000 0.311 171 T C 0.610 175.224 174.700 -0.143 0.000 1.063 171 T CA 1.222 63.333 62.100 0.018 0.000 1.139 171 T CB 1.121 70.078 68.868 0.148 0.000 0.994 171 T HN 1.543 nan 8.240 nan 0.000 0.547 172 S N 1.965 117.510 115.700 -0.258 0.000 2.588 172 S HA 0.846 5.317 4.470 0.001 0.000 0.275 172 S C -1.434 172.814 174.600 -0.586 0.000 1.130 172 S CA -1.082 56.771 58.200 -0.579 0.000 0.855 172 S CB 2.239 65.163 63.200 -0.460 0.000 1.116 172 S HN 0.411 nan 8.310 nan 0.000 0.472 173 K N 0.323 120.158 120.400 -0.942 0.000 2.508 173 K HA 0.651 4.971 4.320 0.001 0.000 0.260 173 K C -2.010 173.994 176.600 -0.992 0.000 0.949 173 K CA -0.465 55.386 56.287 -0.727 0.000 0.834 173 K CB 1.563 33.640 32.500 -0.705 0.000 1.365 173 K HN 0.841 nan 8.250 nan 0.000 0.437 174 H N 0.771 119.429 119.070 -0.685 0.000 2.538 174 H HA 0.554 5.110 4.556 0.001 0.000 0.353 174 H C -1.019 174.057 175.328 -0.420 0.000 1.109 174 H CA -0.359 55.347 56.048 -0.569 0.000 1.192 174 H CB 0.889 30.502 29.762 -0.249 0.000 1.555 174 H HN 0.324 nan 8.280 nan 0.000 0.518 175 F N 1.961 121.932 119.950 0.035 0.000 2.532 175 F HA 0.295 4.822 4.527 0.001 0.000 0.321 175 F C -0.795 174.965 175.800 -0.066 0.000 1.089 175 F CA -1.230 56.776 58.000 0.010 0.000 0.926 175 F CB 1.659 40.596 39.000 -0.105 0.000 1.168 175 F HN 0.436 nan 8.300 nan 0.000 0.459 176 Y N 6.036 126.349 120.300 0.021 0.000 2.341 176 Y HA 0.720 5.270 4.550 0.001 0.000 0.338 176 Y C -0.790 174.941 175.900 -0.282 0.000 0.965 176 Y CA -1.241 56.774 58.100 -0.141 0.000 1.108 176 Y CB 1.260 39.667 38.460 -0.088 0.000 1.180 176 Y HN 0.672 nan 8.280 nan 0.000 0.458 177 M N 3.905 122.846 119.600 -1.098 0.000 3.008 177 M HA 0.563 5.043 4.480 0.001 0.000 0.271 177 M C -2.282 173.370 176.300 -1.080 0.000 1.265 177 M CA -0.711 53.962 55.300 -1.045 0.000 0.817 177 M CB 2.207 34.386 32.600 -0.703 0.000 1.638 177 M HN 0.483 nan 8.290 nan 0.000 0.479 178 F N 2.564 122.316 119.950 -0.330 0.000 2.427 178 F HA 0.440 4.968 4.527 0.001 0.000 0.346 178 F C 0.559 176.289 175.800 -0.116 0.000 1.120 178 F CA -0.393 57.496 58.000 -0.184 0.000 1.033 178 F CB 1.080 40.012 39.000 -0.113 0.000 1.126 178 F HN 0.731 nan 8.300 nan 0.000 0.462 179 N N 0.887 119.638 118.700 0.085 0.000 2.385 179 N HA 0.071 4.811 4.740 0.001 0.000 0.291 179 N C 0.549 176.097 175.510 0.063 0.000 1.298 179 N CA -0.166 52.912 53.050 0.046 0.000 0.955 179 N CB 0.131 38.629 38.487 0.018 0.000 1.096 179 N HN 0.411 nan 8.380 nan 0.000 0.543 180 D N -0.838 119.583 120.400 0.035 0.000 2.097 180 D HA -0.145 4.496 4.640 0.001 0.000 0.195 180 D C 0.633 176.945 176.300 0.021 0.000 0.989 180 D CA 1.182 55.196 54.000 0.024 0.000 0.827 180 D CB -0.480 40.328 40.800 0.013 0.000 0.966 180 D HN 0.722 nan 8.370 nan 0.000 0.456 181 N N 0.559 119.273 118.700 0.024 0.000 2.416 181 N HA -0.014 4.726 4.740 0.001 0.000 0.215 181 N C 0.342 175.866 175.510 0.024 0.000 1.208 181 N CA 0.721 53.782 53.050 0.018 0.000 0.834 181 N CB -0.158 38.339 38.487 0.017 0.000 1.072 181 N HN 0.085 nan 8.380 nan 0.000 0.472 182 K N -0.063 120.356 120.400 0.032 0.000 3.077 182 K HA -0.188 4.132 4.320 0.001 0.000 0.264 182 K C -0.584 176.087 176.600 0.119 0.000 1.008 182 K CA 1.225 57.521 56.287 0.015 0.000 0.740 182 K CB -2.730 29.712 32.500 -0.097 0.000 1.273 182 K HN 0.567 nan 8.250 nan 0.000 0.477 183 N N 0.678 119.499 118.700 0.202 0.000 2.446 183 N HA 0.355 5.095 4.740 0.001 0.000 0.265 183 N C -0.108 175.544 175.510 0.238 0.000 0.975 183 N CA 0.178 53.362 53.050 0.224 0.000 0.928 183 N CB 1.862 40.411 38.487 0.103 0.000 1.160 183 N HN 0.739 nan 8.380 nan 0.000 0.495 184 S N 1.459 117.330 115.700 0.286 0.000 2.546 184 S HA 0.228 4.698 4.470 0.001 0.000 0.290 184 S C 0.245 174.768 174.600 -0.128 0.000 1.262 184 S CA -0.516 57.552 58.200 -0.220 0.000 1.083 184 S CB -0.411 62.746 63.200 -0.073 0.000 0.859 184 S HN 0.273 nan 8.310 nan 0.000 0.495 185 V N 0.976 120.737 119.914 -0.256 0.000 2.823 185 V HA 0.955 5.075 4.120 0.001 0.000 0.312 185 V C 0.115 176.123 176.094 -0.143 0.000 1.072 185 V CA -0.950 61.272 62.300 -0.131 0.000 0.937 185 V CB 1.115 32.873 31.823 -0.108 0.000 1.013 185 V HN 1.204 nan 8.190 nan 0.000 0.430 186 A N 3.050 125.847 122.820 -0.039 0.000 2.305 186 A HA 0.926 5.246 4.320 0.001 0.000 0.322 186 A C -0.471 177.093 177.584 -0.034 0.000 1.187 186 A CA -0.556 51.479 52.037 -0.005 0.000 0.825 186 A CB 1.340 20.367 19.000 0.046 0.000 1.164 186 A HN 1.153 nan 8.150 nan 0.000 0.498 187 V N 0.595 120.481 119.914 -0.046 0.000 3.167 187 V HA 0.977 5.097 4.120 0.001 0.000 0.310 187 V C 0.551 176.511 176.094 -0.223 0.000 1.207 187 V CA 0.241 62.539 62.300 -0.004 0.000 1.059 187 V CB 2.321 34.219 31.823 0.125 0.000 1.079 187 V HN 1.754 nan 8.190 nan 0.000 0.446 188 G N 0.152 108.805 108.800 -0.244 0.000 2.313 188 G HA2 0.543 4.503 3.960 0.001 0.000 0.296 188 G HA3 0.543 4.503 3.960 0.001 0.000 0.296 188 G C -2.094 172.673 174.900 -0.222 0.000 1.356 188 G CA -0.083 44.574 45.100 -0.738 0.000 0.833 188 G HN 1.530 nan 8.290 nan 0.000 0.552 189 Y N -1.638 118.438 120.300 -0.373 0.000 2.588 189 Y HA 0.800 5.351 4.550 0.001 0.000 0.343 189 Y C -1.094 174.702 175.900 -0.172 0.000 1.065 189 Y CA -1.578 56.449 58.100 -0.121 0.000 1.038 189 Y CB 1.793 40.260 38.460 0.012 0.000 1.297 189 Y HN 0.533 nan 8.280 nan 0.000 0.467 190 V N 2.850 122.758 119.914 -0.010 0.000 2.417 190 V HA 0.602 4.722 4.120 0.001 0.000 0.291 190 V C 0.681 176.937 176.094 0.270 0.000 1.024 190 V CA -0.468 61.804 62.300 -0.048 0.000 0.861 190 V CB 1.183 32.966 31.823 -0.067 0.000 0.985 190 V HN 1.117 nan 8.190 nan 0.000 0.436 191 G N 2.655 111.646 108.800 0.319 0.000 2.272 191 G HA2 0.153 4.113 3.960 0.001 0.000 0.247 191 G HA3 0.153 4.113 3.960 0.001 0.000 0.247 191 G C 0.545 175.535 174.900 0.149 0.000 1.272 191 G CA -0.107 45.174 45.100 0.301 0.000 0.921 191 G HN 0.930 nan 8.290 nan 0.000 0.495 192 C N 2.364 121.735 119.300 0.119 0.000 3.000 192 C HA 0.668 5.128 4.460 0.001 0.000 0.286 192 C C 1.550 176.588 174.990 0.079 0.000 1.343 192 C CA -0.014 59.056 59.018 0.088 0.000 1.742 192 C CB -1.496 26.287 27.740 0.072 0.000 2.200 192 C HN 1.445 nan 8.230 nan 0.000 0.621 193 G N 1.728 110.575 108.800 0.079 0.000 2.698 193 G HA2 -0.160 3.800 3.960 0.001 0.000 0.225 193 G HA3 -0.160 3.800 3.960 0.001 0.000 0.225 193 G C 0.769 175.702 174.900 0.054 0.000 1.345 193 G CA 0.309 45.449 45.100 0.067 0.000 0.871 193 G HN 0.709 nan 8.290 nan 0.000 0.540 194 S N -1.727 114.002 115.700 0.049 0.000 2.441 194 S HA 0.283 4.753 4.470 0.001 0.000 0.224 194 S C 1.255 175.881 174.600 0.042 0.000 1.043 194 S CA 1.373 59.597 58.200 0.041 0.000 0.948 194 S CB 0.111 63.332 63.200 0.035 0.000 0.810 194 S HN 1.553 nan 8.310 nan 0.000 0.504 195 V N 3.262 123.205 119.914 0.047 0.000 2.421 195 V HA 0.412 4.532 4.120 0.001 0.000 0.271 195 V C 1.559 177.686 176.094 0.055 0.000 1.031 195 V CA 0.276 62.606 62.300 0.049 0.000 1.032 195 V CB 0.139 31.992 31.823 0.051 0.000 1.009 195 V HN 0.598 nan 8.190 nan 0.000 0.477 196 A N 3.383 126.234 122.820 0.052 0.000 2.248 196 A HA 0.170 4.490 4.320 0.001 0.000 0.210 196 A C 1.117 178.741 177.584 0.066 0.000 1.174 196 A CA 1.077 53.148 52.037 0.057 0.000 0.750 196 A CB -0.679 18.351 19.000 0.049 0.000 0.780 196 A HN 0.946 nan 8.150 nan 0.000 0.478 197 D N -0.004 120.436 120.400 0.066 0.000 2.462 197 D HA 0.583 5.223 4.640 0.001 0.000 0.245 197 D C -0.556 175.791 176.300 0.078 0.000 1.122 197 D CA -0.578 53.465 54.000 0.073 0.000 0.864 197 D CB 0.454 41.291 40.800 0.063 0.000 1.098 197 D HN 0.262 nan 8.370 nan 0.000 0.541 198 L N 2.124 123.403 121.223 0.094 0.000 2.360 198 L HA 0.390 4.730 4.340 0.001 0.000 0.276 198 L C 1.506 178.430 176.870 0.091 0.000 1.121 198 L CA -0.595 54.306 54.840 0.101 0.000 0.845 198 L CB 1.438 43.576 42.059 0.131 0.000 1.143 198 L HN 0.626 nan 8.230 nan 0.000 0.452 199 S N 2.127 117.876 115.700 0.082 0.000 2.593 199 S HA 0.017 4.488 4.470 0.001 0.000 0.269 199 S C 1.130 175.764 174.600 0.057 0.000 1.334 199 S CA -0.452 57.786 58.200 0.063 0.000 1.015 199 S CB 1.262 64.506 63.200 0.073 0.000 0.912 199 S HN 0.776 nan 8.310 nan 0.000 0.541 200 E N 2.092 122.276 120.200 -0.026 0.000 2.108 200 E HA -0.295 4.055 4.350 0.001 0.000 0.203 200 E C 1.916 178.581 176.600 0.108 0.000 1.022 200 E CA 2.105 58.428 56.400 -0.128 0.000 0.823 200 E CB -0.862 28.649 29.700 -0.315 0.000 0.744 200 E HN 0.864 nan 8.360 nan 0.000 0.456 201 A N 0.746 123.632 122.820 0.109 0.000 2.014 201 A HA -0.148 4.172 4.320 0.001 0.000 0.218 201 A C 1.802 179.469 177.584 0.139 0.000 1.163 201 A CA 1.593 53.715 52.037 0.142 0.000 0.652 201 A CB -0.255 18.821 19.000 0.126 0.000 0.808 201 A HN 0.262 nan 8.150 nan 0.000 0.449 202 D N -0.887 119.590 120.400 0.128 0.000 2.103 202 D HA -0.098 4.542 4.640 0.001 0.000 0.199 202 D C 1.785 178.174 176.300 0.148 0.000 0.978 202 D CA 1.411 55.483 54.000 0.120 0.000 0.829 202 D CB -0.411 40.453 40.800 0.107 0.000 0.981 202 D HN 0.340 nan 8.370 nan 0.000 0.464 203 M N 1.006 120.729 119.600 0.205 0.000 2.202 203 M HA -0.134 4.347 4.480 0.001 0.000 0.262 203 M C 1.755 178.183 176.300 0.213 0.000 1.063 203 M CA 1.500 56.962 55.300 0.270 0.000 1.097 203 M CB -0.135 32.725 32.600 0.434 0.000 1.382 203 M HN -0.179 nan 8.290 nan 0.000 0.413 204 K N -0.829 119.712 120.400 0.234 0.000 1.984 204 K HA -0.153 4.168 4.320 0.001 0.000 0.209 204 K C 2.257 178.888 176.600 0.051 0.000 1.046 204 K CA 1.578 57.937 56.287 0.120 0.000 0.934 204 K CB -0.245 32.360 32.500 0.176 0.000 0.717 204 K HN 0.253 nan 8.250 nan 0.000 0.438 205 R N 0.213 120.757 120.500 0.074 0.000 2.154 205 R HA -0.166 4.174 4.340 0.001 0.000 0.248 205 R C 2.023 178.339 176.300 0.026 0.000 1.155 205 R CA 1.497 57.626 56.100 0.049 0.000 0.979 205 R CB -0.190 30.147 30.300 0.062 0.000 0.869 205 R HN 0.085 nan 8.270 nan 0.000 0.452 206 V N -0.463 119.477 119.914 0.044 0.000 2.307 206 V HA -0.213 3.907 4.120 0.001 0.000 0.245 206 V C 2.238 178.312 176.094 -0.034 0.000 1.045 206 V CA 1.617 63.935 62.300 0.030 0.000 1.024 206 V CB -0.185 31.691 31.823 0.088 0.000 0.651 206 V HN 0.172 nan 8.190 nan 0.000 0.449 207 V N -0.372 119.486 119.914 -0.093 0.000 2.343 207 V HA -0.239 3.881 4.120 0.001 0.000 0.247 207 V C 2.410 178.395 176.094 -0.183 0.000 1.051 207 V CA 1.596 63.751 62.300 -0.243 0.000 1.036 207 V CB -0.618 30.971 31.823 -0.390 0.000 0.654 207 V HN 0.381 nan 8.190 nan 0.000 0.451 208 L N -0.055 121.103 121.223 -0.108 0.000 2.081 208 L HA -0.165 4.175 4.340 0.001 0.000 0.212 208 L C 2.595 179.410 176.870 -0.091 0.000 1.080 208 L CA 1.898 56.692 54.840 -0.076 0.000 0.754 208 L CB -1.267 40.779 42.059 -0.021 0.000 0.893 208 L HN 0.274 nan 8.230 nan 0.000 0.433 209 S N -0.968 114.680 115.700 -0.088 0.000 2.371 209 S HA -0.103 4.367 4.470 0.001 0.000 0.224 209 S C 1.843 176.352 174.600 -0.151 0.000 1.029 209 S CA 0.825 58.966 58.200 -0.099 0.000 0.978 209 S CB -0.286 62.860 63.200 -0.089 0.000 0.833 209 S HN 0.337 nan 8.310 nan 0.000 0.466 210 L N 1.599 122.717 121.223 -0.175 0.000 2.131 210 L HA 0.018 4.358 4.340 0.001 0.000 0.210 210 L C 1.982 178.682 176.870 -0.283 0.000 1.092 210 L CA 1.470 56.176 54.840 -0.224 0.000 0.759 210 L CB -0.474 41.460 42.059 -0.209 0.000 0.903 210 L HN 0.122 nan 8.230 nan 0.000 0.435 211 V N -0.623 119.118 119.914 -0.288 0.000 2.591 211 V HA -0.178 3.942 4.120 0.001 0.000 0.249 211 V C 2.515 178.337 176.094 -0.453 0.000 1.053 211 V CA 1.655 63.709 62.300 -0.410 0.000 1.068 211 V CB -0.807 30.818 31.823 -0.330 0.000 0.689 211 V HN 0.742 nan 8.190 nan 0.000 0.462 212 T N -2.722 111.698 114.554 -0.223 0.000 3.072 212 T HA -0.069 4.281 4.350 0.001 0.000 0.266 212 T C 1.538 176.203 174.700 -0.060 0.000 1.127 212 T CA 1.036 63.085 62.100 -0.084 0.000 1.107 212 T CB -0.256 68.601 68.868 -0.019 0.000 0.910 212 T HN 0.399 nan 8.240 nan 0.000 0.513 213 M N -0.064 119.465 119.600 -0.119 0.000 2.510 213 M HA 0.361 4.841 4.480 0.001 0.000 0.256 213 M C 1.707 177.973 176.300 -0.057 0.000 1.132 213 M CA 0.628 55.912 55.300 -0.027 0.000 1.105 213 M CB -0.022 32.485 32.600 -0.154 0.000 1.375 213 M HN 0.221 nan 8.290 nan 0.000 0.477 214 L N -1.324 119.785 121.223 -0.190 0.000 2.416 214 L HA 0.073 4.413 4.340 0.001 0.000 0.216 214 L C 0.542 177.411 176.870 -0.001 0.000 1.098 214 L CA -0.001 54.726 54.840 -0.187 0.000 0.840 214 L CB -0.337 41.422 42.059 -0.500 0.000 0.981 214 L HN 0.205 nan 8.230 nan 0.000 0.462 215 H N 1.312 120.383 119.070 0.002 0.000 2.652 215 H HA 0.077 4.633 4.556 0.001 0.000 0.349 215 H C 0.118 175.426 175.328 -0.032 0.000 1.099 215 H CA -0.415 55.627 56.048 -0.010 0.000 1.417 215 H CB 0.725 30.479 29.762 -0.013 0.000 1.457 215 H HN 0.115 nan 8.280 nan 0.000 0.568 216 D N 0.517 120.967 120.400 0.083 0.000 3.041 216 D HA -0.224 4.417 4.640 0.001 0.000 0.220 216 D C -0.284 176.011 176.300 -0.008 0.000 1.157 216 D CA 0.614 54.621 54.000 0.012 0.000 0.876 216 D CB -1.268 39.532 40.800 0.000 0.000 1.107 216 D HN 0.487 nan 8.370 nan 0.000 0.422 217 N N 0.693 119.396 118.700 0.005 0.000 2.594 217 N HA 0.117 4.857 4.740 0.001 0.000 0.280 217 N C -1.023 174.489 175.510 0.002 0.000 1.156 217 N CA -0.384 52.660 53.050 -0.010 0.000 0.831 217 N CB 0.915 39.396 38.487 -0.011 0.000 1.379 217 N HN -0.053 nan 8.380 nan 0.000 0.536 218 K N 3.202 123.601 120.400 -0.003 0.000 2.294 218 K HA 0.259 4.579 4.320 0.001 0.000 0.288 218 K C -0.417 176.195 176.600 0.021 0.000 1.072 218 K CA 0.219 56.510 56.287 0.008 0.000 0.960 218 K CB 0.419 32.920 32.500 0.002 0.000 1.043 218 K HN 0.407 nan 8.250 nan 0.000 0.455 219 L N 1.490 122.735 121.223 0.036 0.000 2.362 219 L HA 0.237 4.577 4.340 0.001 0.000 0.271 219 L C 1.072 177.989 176.870 0.078 0.000 1.002 219 L CA -0.339 54.528 54.840 0.046 0.000 0.818 219 L CB 2.115 44.190 42.059 0.027 0.000 1.298 219 L HN 0.547 nan 8.230 nan 0.000 0.420 220 S N 0.274 116.028 115.700 0.089 0.000 2.497 220 S HA 0.162 4.633 4.470 0.001 0.000 0.218 220 S C 0.317 175.027 174.600 0.183 0.000 1.023 220 S CA -0.104 58.177 58.200 0.136 0.000 0.913 220 S CB 0.222 63.499 63.200 0.130 0.000 0.800 220 S HN 0.569 nan 8.310 nan 0.000 0.505 221 K N 0.289 120.764 120.400 0.125 0.000 2.535 221 K HA 0.597 4.918 4.320 0.001 0.000 0.250 221 K C -1.892 174.746 176.600 0.063 0.000 0.948 221 K CA -0.862 55.500 56.287 0.125 0.000 0.796 221 K CB 1.763 34.316 32.500 0.089 0.000 1.216 221 K HN 0.173 nan 8.250 nan 0.000 0.432 222 L N 2.251 123.506 121.223 0.053 0.000 2.330 222 L HA 0.686 5.026 4.340 0.001 0.000 0.271 222 L C -1.329 175.565 176.870 0.040 0.000 1.013 222 L CA 0.200 55.042 54.840 0.004 0.000 0.816 222 L CB 2.460 44.482 42.059 -0.062 0.000 1.287 222 L HN 0.711 nan 8.230 nan 0.000 0.435 223 T N 3.102 117.667 114.554 0.019 0.000 2.937 223 T HA 0.548 4.899 4.350 0.001 0.000 0.297 223 T C -1.173 173.518 174.700 -0.016 0.000 0.991 223 T CA -0.406 61.729 62.100 0.059 0.000 0.990 223 T CB 1.454 70.396 68.868 0.123 0.000 0.991 223 T HN 0.338 nan 8.240 nan 0.000 0.440 224 V N 3.780 123.699 119.914 0.008 0.000 2.357 224 V HA 0.406 4.526 4.120 0.001 0.000 0.284 224 V C 0.023 176.077 176.094 -0.066 0.000 1.018 224 V CA -0.790 61.442 62.300 -0.112 0.000 0.841 224 V CB 1.535 33.271 31.823 -0.145 0.000 0.991 224 V HN 0.739 nan 8.190 nan 0.000 0.437 225 V N 5.682 125.434 119.914 -0.270 0.000 2.406 225 V HA 0.380 4.501 4.120 0.001 0.000 0.272 225 V C -0.275 175.735 176.094 -0.141 0.000 1.043 225 V CA -0.323 61.866 62.300 -0.184 0.000 0.915 225 V CB 0.937 32.355 31.823 -0.675 0.000 0.988 225 V HN 0.644 nan 8.190 nan 0.000 0.466 226 F N 3.441 123.341 119.950 -0.083 0.000 2.404 226 F HA 0.339 4.867 4.527 0.001 0.000 0.359 226 F C 1.137 176.928 175.800 -0.016 0.000 1.134 226 F CA -0.181 57.761 58.000 -0.098 0.000 1.160 226 F CB 0.690 39.581 39.000 -0.181 0.000 1.186 226 F HN 0.535 nan 8.300 nan 0.000 0.526 227 E N 5.952 126.225 120.200 0.122 0.000 2.947 227 E HA 0.290 4.640 4.350 0.001 0.000 0.229 227 E C -0.535 176.126 176.600 0.100 0.000 1.158 227 E CA -0.062 56.415 56.400 0.128 0.000 1.441 227 E CB 0.428 30.215 29.700 0.146 0.000 1.414 227 E HN 0.565 nan 8.360 nan 0.000 0.432 228 I N -3.514 117.133 120.570 0.127 0.000 3.095 228 I HA 0.434 4.605 4.170 0.001 0.000 0.310 228 I C -0.485 175.710 176.117 0.129 0.000 1.196 228 I CA -1.260 60.110 61.300 0.118 0.000 0.985 228 I CB 1.883 39.950 38.000 0.112 0.000 1.250 228 I HN -0.202 nan 8.210 nan 0.000 0.446 229 N N 2.482 121.249 118.700 0.111 0.000 2.411 229 N HA 0.440 5.181 4.740 0.001 0.000 0.259 229 N C -0.987 174.602 175.510 0.133 0.000 1.103 229 N CA -0.036 53.080 53.050 0.110 0.000 0.954 229 N CB 1.706 40.248 38.487 0.092 0.000 1.085 229 N HN 0.554 nan 8.380 nan 0.000 0.485 230 V N 0.083 120.080 119.914 0.139 0.000 2.789 230 V HA 0.473 4.593 4.120 0.001 0.000 0.311 230 V C -0.221 176.042 176.094 0.282 0.000 1.073 230 V CA -1.223 61.185 62.300 0.180 0.000 0.921 230 V CB 1.820 33.749 31.823 0.176 0.000 1.009 230 V HN 0.555 nan 8.190 nan 0.000 0.426 231 D N 2.630 123.167 120.400 0.227 0.000 2.398 231 D HA 0.256 4.896 4.640 0.001 0.000 0.247 231 D C 0.835 177.294 176.300 0.265 0.000 1.227 231 D CA -0.303 53.804 54.000 0.179 0.000 0.980 231 D CB 0.916 41.768 40.800 0.085 0.000 1.106 231 D HN 0.561 nan 8.370 nan 0.000 0.493 232 K N -0.631 119.802 120.400 0.055 0.000 2.063 232 K HA -0.127 4.193 4.320 0.001 0.000 0.208 232 K C 1.628 178.347 176.600 0.198 0.000 1.048 232 K CA 1.260 57.584 56.287 0.062 0.000 0.928 232 K CB -0.164 32.255 32.500 -0.134 0.000 0.713 232 K HN 0.366 nan 8.250 nan 0.000 0.442 233 N N 0.756 119.539 118.700 0.138 0.000 2.289 233 N HA -0.155 4.585 4.740 0.001 0.000 0.184 233 N C 1.592 177.239 175.510 0.228 0.000 1.016 233 N CA 0.841 53.982 53.050 0.150 0.000 0.872 233 N CB -0.023 38.517 38.487 0.088 0.000 0.973 233 N HN 0.083 nan 8.380 nan 0.000 0.433 234 L N 0.013 121.390 121.223 0.258 0.000 2.168 234 L HA 0.122 4.462 4.340 0.001 0.000 0.203 234 L C 1.945 179.061 176.870 0.409 0.000 1.078 234 L CA 0.943 55.969 54.840 0.311 0.000 0.780 234 L CB -1.045 41.163 42.059 0.250 0.000 0.939 234 L HN -0.025 nan 8.230 nan 0.000 0.451 235 F N 0.368 120.430 119.950 0.185 0.000 2.161 235 F HA -0.230 4.297 4.527 0.001 0.000 0.300 235 F C 2.694 178.585 175.800 0.152 0.000 1.089 235 F CA 1.747 59.792 58.000 0.075 0.000 1.282 235 F CB -0.191 38.727 39.000 -0.137 0.000 1.010 235 F HN 0.052 nan 8.300 nan 0.000 0.485 236 R N -0.515 120.166 120.500 0.302 0.000 2.073 236 R HA -0.217 4.123 4.340 0.001 0.000 0.234 236 R C 2.363 178.721 176.300 0.097 0.000 1.134 236 R CA 1.927 58.110 56.100 0.138 0.000 0.952 236 R CB -0.930 29.456 30.300 0.143 0.000 0.850 236 R HN 0.400 nan 8.270 nan 0.000 0.433 237 F N 0.843 120.830 119.950 0.061 0.000 2.126 237 F HA -0.253 4.274 4.527 0.001 0.000 0.299 237 F C 1.916 177.705 175.800 -0.017 0.000 1.096 237 F CA 1.559 59.585 58.000 0.044 0.000 1.255 237 F CB -0.659 38.387 39.000 0.076 0.000 0.997 237 F HN 0.064 nan 8.300 nan 0.000 0.479 238 F N 0.202 120.091 119.950 -0.101 0.000 2.065 238 F HA -0.253 4.274 4.527 0.001 0.000 0.298 238 F C 1.873 177.404 175.800 -0.448 0.000 1.112 238 F CA 1.767 59.629 58.000 -0.230 0.000 1.212 238 F CB -0.686 38.259 39.000 -0.091 0.000 0.975 238 F HN -0.038 nan 8.300 nan 0.000 0.476 239 L N 0.685 121.672 121.223 -0.393 0.000 2.056 239 L HA -0.166 4.175 4.340 0.001 0.000 0.207 239 L C 2.334 178.638 176.870 -0.943 0.000 1.078 239 L CA 1.798 56.136 54.840 -0.837 0.000 0.749 239 L CB -1.152 40.455 42.059 -0.754 0.000 0.901 239 L HN 0.202 nan 8.230 nan 0.000 0.433 240 E N -1.389 118.540 120.200 -0.452 0.000 2.051 240 E HA -0.192 4.158 4.350 0.001 0.000 0.192 240 E C 2.030 178.506 176.600 -0.207 0.000 0.991 240 E CA 1.837 58.148 56.400 -0.149 0.000 0.799 240 E CB -0.158 29.540 29.700 -0.005 0.000 0.748 240 E HN 0.437 nan 8.360 nan 0.000 0.449 241 T N 1.475 115.727 114.554 -0.504 0.000 2.737 241 T HA -0.138 4.212 4.350 0.001 0.000 0.265 241 T C 1.837 176.331 174.700 -0.343 0.000 1.038 241 T CA 0.876 62.701 62.100 -0.459 0.000 1.144 241 T CB -0.320 68.093 68.868 -0.758 0.000 0.866 241 T HN 0.034 nan 8.240 nan 0.000 0.434 242 L N 0.893 121.740 121.223 -0.627 0.000 1.997 242 L HA -0.126 4.214 4.340 0.001 0.000 0.216 242 L C 1.997 178.739 176.870 -0.214 0.000 1.074 242 L CA 1.956 56.450 54.840 -0.576 0.000 0.763 242 L CB -1.007 40.502 42.059 -0.918 0.000 0.890 242 L HN 0.127 nan 8.230 nan 0.000 0.434 243 F N -1.058 118.737 119.950 -0.259 0.000 2.069 243 F HA -0.240 4.287 4.527 0.001 0.000 0.298 243 F C 2.567 178.250 175.800 -0.195 0.000 1.113 243 F CA 1.646 59.413 58.000 -0.388 0.000 1.214 243 F CB -1.707 36.795 39.000 -0.830 0.000 0.978 243 F HN 0.210 nan 8.300 nan 0.000 0.474 244 Y N 1.008 121.434 120.300 0.210 0.000 2.181 244 Y HA -0.194 4.357 4.550 0.001 0.000 0.288 244 Y C 2.354 178.348 175.900 0.156 0.000 1.146 244 Y CA 1.702 59.989 58.100 0.312 0.000 1.164 244 Y CB -0.161 38.471 38.460 0.285 0.000 0.982 244 Y HN -0.049 nan 8.280 nan 0.000 0.515 245 E N -0.713 119.611 120.200 0.206 0.000 2.106 245 E HA -0.212 4.138 4.350 0.001 0.000 0.192 245 E C 1.943 178.612 176.600 0.115 0.000 0.984 245 E CA 1.035 57.494 56.400 0.099 0.000 0.806 245 E CB -0.834 28.895 29.700 0.048 0.000 0.750 245 E HN 0.571 nan 8.360 nan 0.000 0.458 246 Y N 1.185 121.457 120.300 -0.045 0.000 2.145 246 Y HA -0.098 4.452 4.550 0.001 0.000 0.286 246 Y C 1.108 177.085 175.900 0.129 0.000 1.145 246 Y CA 0.468 58.563 58.100 -0.009 0.000 1.148 246 Y CB -0.379 38.070 38.460 -0.018 0.000 0.981 246 Y HN -0.002 nan 8.280 nan 0.000 0.507 247 M N 0.893 120.506 119.600 0.022 0.000 2.234 247 M HA 0.003 4.483 4.480 0.001 0.000 0.326 247 M C -0.547 175.737 176.300 -0.027 0.000 1.077 247 M CA 1.036 56.268 55.300 -0.114 0.000 1.052 247 M CB -0.042 32.318 32.600 -0.400 0.000 1.607 247 M HN 0.145 nan 8.290 nan 0.000 0.445 248 T N 3.722 118.294 114.554 0.031 0.000 3.089 248 T HA 0.121 4.472 4.350 0.001 0.000 0.340 248 T C -1.161 173.576 174.700 0.062 0.000 1.008 248 T CA -0.761 61.363 62.100 0.040 0.000 1.096 248 T CB 0.271 69.138 68.868 -0.002 0.000 1.024 248 T HN 0.602 nan 8.240 nan 0.000 0.477 249 D N 2.545 123.003 120.400 0.097 0.000 2.426 249 D HA -0.009 4.631 4.640 0.001 0.000 0.261 249 D C 0.772 177.089 176.300 0.029 0.000 1.245 249 D CA 0.611 54.663 54.000 0.086 0.000 0.917 249 D CB 0.642 41.478 40.800 0.059 0.000 1.123 249 D HN 0.557 nan 8.370 nan 0.000 0.508 250 E N 2.629 122.824 120.200 -0.009 0.000 2.583 250 E HA 0.074 4.425 4.350 0.001 0.000 0.213 250 E C 1.481 178.012 176.600 -0.115 0.000 0.989 250 E CA -0.231 56.150 56.400 -0.033 0.000 0.991 250 E CB 0.525 30.210 29.700 -0.025 0.000 1.040 250 E HN 0.380 nan 8.360 nan 0.000 0.481 251 R N -0.064 120.300 120.500 -0.227 0.000 2.133 251 R HA -0.144 4.196 4.340 0.001 0.000 0.247 251 R C 1.027 176.910 176.300 -0.695 0.000 1.151 251 R CA 1.489 57.266 56.100 -0.538 0.000 0.971 251 R CB -0.147 29.622 30.300 -0.885 0.000 0.866 251 R HN 0.122 nan 8.270 nan 0.000 0.447 252 F N 0.369 120.235 119.950 -0.140 0.000 2.695 252 F HA 0.191 4.718 4.527 0.001 0.000 0.303 252 F C 0.644 176.402 175.800 -0.071 0.000 1.091 252 F CA -0.155 57.761 58.000 -0.140 0.000 1.300 252 F CB 0.290 39.179 39.000 -0.184 0.000 1.071 252 F HN -0.335 nan 8.300 nan 0.000 0.578 253 K N 0.258 120.676 120.400 0.031 0.000 2.154 253 K HA 0.346 4.667 4.320 0.001 0.000 0.264 253 K C 0.822 177.424 176.600 0.003 0.000 1.008 253 K CA 0.158 56.459 56.287 0.023 0.000 0.937 253 K CB 1.973 34.475 32.500 0.003 0.000 1.002 253 K HN 0.093 nan 8.250 nan 0.000 0.469 254 S N 0.010 115.718 115.700 0.012 0.000 4.403 254 S HA -0.069 4.401 4.470 0.001 0.000 0.183 254 S C 1.326 175.929 174.600 0.005 0.000 1.070 254 S CA 0.550 58.755 58.200 0.008 0.000 1.145 254 S CB -0.346 62.868 63.200 0.024 0.000 1.585 254 S HN 0.652 nan 8.310 nan 0.000 0.634 255 T N -0.933 113.627 114.554 0.010 0.000 3.081 255 T HA 0.309 4.659 4.350 0.001 0.000 0.255 255 T C 0.814 175.515 174.700 0.001 0.000 1.113 255 T CA 1.366 63.469 62.100 0.005 0.000 1.082 255 T CB -0.517 68.355 68.868 0.007 0.000 0.939 255 T HN 0.515 nan 8.240 nan 0.000 0.506 256 D N 1.309 121.711 120.400 0.002 0.000 2.788 256 D HA 0.299 4.939 4.640 0.001 0.000 0.289 256 D C 0.221 176.516 176.300 -0.008 0.000 1.340 256 D CA -0.700 53.299 54.000 -0.003 0.000 0.831 256 D CB -0.200 40.600 40.800 0.000 0.000 1.103 256 D HN 0.395 nan 8.370 nan 0.000 0.476 257 K N 0.459 120.853 120.400 -0.011 0.000 2.276 257 K HA 0.154 4.474 4.320 0.001 0.000 0.259 257 K C 0.049 176.635 176.600 -0.024 0.000 1.001 257 K CA -0.693 55.584 56.287 -0.017 0.000 0.927 257 K CB 0.698 33.188 32.500 -0.016 0.000 0.969 257 K HN 0.217 nan 8.250 nan 0.000 0.490 258 N N 1.983 120.663 118.700 -0.032 0.000 2.402 258 N HA -0.013 4.727 4.740 0.001 0.000 0.259 258 N C 0.766 176.257 175.510 -0.033 0.000 1.167 258 N CA 0.139 53.163 53.050 -0.043 0.000 0.949 258 N CB 0.617 39.063 38.487 -0.069 0.000 1.212 258 N HN 0.579 nan 8.380 nan 0.000 0.493 259 V N 2.270 122.167 119.914 -0.027 0.000 2.867 259 V HA -0.205 3.916 4.120 0.001 0.000 0.260 259 V C 1.568 177.648 176.094 -0.022 0.000 1.099 259 V CA 2.487 64.775 62.300 -0.020 0.000 1.122 259 V CB -1.278 30.535 31.823 -0.017 0.000 0.708 259 V HN 0.789 nan 8.190 nan 0.000 0.490 260 N N -0.771 117.910 118.700 -0.032 0.000 2.338 260 N HA 0.588 5.328 4.740 0.001 0.000 0.251 260 N C 0.374 175.856 175.510 -0.048 0.000 1.199 260 N CA 0.285 53.315 53.050 -0.033 0.000 0.879 260 N CB 0.245 38.712 38.487 -0.033 0.000 1.159 260 N HN 0.676 nan 8.380 nan 0.000 0.514 261 M N 1.532 121.099 119.600 -0.056 0.000 2.108 261 M HA 0.561 5.041 4.480 0.001 0.000 0.354 261 M C -0.183 176.075 176.300 -0.071 0.000 1.229 261 M CA -0.048 55.193 55.300 -0.098 0.000 1.081 261 M CB 0.897 33.437 32.600 -0.101 0.000 1.606 261 M HN 0.376 nan 8.290 nan 0.000 0.467 262 E N 4.080 124.211 120.200 -0.116 0.000 2.331 262 E HA 0.480 4.831 4.350 0.001 0.000 0.275 262 E C -2.361 174.179 176.600 -0.100 0.000 0.895 262 E CA -0.584 55.802 56.400 -0.024 0.000 0.753 262 E CB 1.384 31.092 29.700 0.014 0.000 1.216 262 E HN 0.761 nan 8.360 nan 0.000 0.434 263 Y N 0.044 120.343 120.300 -0.003 0.000 2.453 263 Y HA 0.554 5.104 4.550 0.001 0.000 0.326 263 Y C 1.283 177.247 175.900 0.107 0.000 1.186 263 Y CA -0.918 57.199 58.100 0.028 0.000 1.200 263 Y CB 1.597 39.991 38.460 -0.109 0.000 1.247 263 Y HN 0.757 nan 8.280 nan 0.000 0.482 264 I N 0.052 120.841 120.570 0.365 0.000 2.754 264 I HA 0.174 4.344 4.170 0.001 0.000 0.285 264 I C 0.382 176.588 176.117 0.148 0.000 1.166 264 I CA -0.466 60.970 61.300 0.226 0.000 1.417 264 I CB 0.813 38.922 38.000 0.182 0.000 1.382 264 I HN 0.522 nan 8.210 nan 0.000 0.588 265 K N 2.907 123.356 120.400 0.083 0.000 2.354 265 K HA 0.254 4.575 4.320 0.001 0.000 0.194 265 K C -0.104 176.235 176.600 -0.435 0.000 1.045 265 K CA 0.528 56.726 56.287 -0.149 0.000 1.026 265 K CB 0.130 32.550 32.500 -0.134 0.000 0.866 265 K HN 0.693 nan 8.250 nan 0.000 0.530 266 H N -0.201 118.903 119.070 0.058 0.000 2.771 266 H HA 0.297 4.854 4.556 0.001 0.000 0.361 266 H C -1.257 174.106 175.328 0.058 0.000 1.108 266 H CA -1.060 55.018 56.048 0.051 0.000 1.201 266 H CB 2.203 31.997 29.762 0.054 0.000 1.681 266 H HN -0.143 nan 8.280 nan 0.000 0.534 267 L N 1.939 123.253 121.223 0.150 0.000 2.349 267 L HA 0.600 4.941 4.340 0.001 0.000 0.278 267 L C -0.207 176.719 176.870 0.093 0.000 0.996 267 L CA -0.174 54.738 54.840 0.120 0.000 0.825 267 L CB 1.546 43.685 42.059 0.134 0.000 1.243 267 L HN 0.772 nan 8.230 nan 0.000 0.412 268 G N 4.461 113.318 108.800 0.096 0.000 2.372 268 G HA2 0.616 4.576 3.960 0.001 0.000 0.323 268 G HA3 0.616 4.576 3.960 0.001 0.000 0.323 268 G C -1.552 173.366 174.900 0.029 0.000 1.152 268 G CA -0.480 44.658 45.100 0.064 0.000 0.906 268 G HN 0.506 nan 8.290 nan 0.000 0.460 269 V N 2.510 122.365 119.914 -0.099 0.000 2.483 269 V HA 0.358 4.479 4.120 0.001 0.000 0.297 269 V C -1.160 174.866 176.094 -0.113 0.000 1.027 269 V CA -0.909 61.399 62.300 0.013 0.000 0.855 269 V CB 1.011 32.900 31.823 0.111 0.000 0.995 269 V HN 0.678 nan 8.190 nan 0.000 0.424 270 Y N 4.961 125.365 120.300 0.173 0.000 2.330 270 Y HA 0.788 5.338 4.550 0.001 0.000 0.336 270 Y C 0.103 176.068 175.900 0.108 0.000 1.036 270 Y CA -0.379 57.811 58.100 0.150 0.000 1.125 270 Y CB 1.797 40.314 38.460 0.096 0.000 1.194 270 Y HN 0.601 nan 8.280 nan 0.000 0.469 271 I N 1.881 122.538 120.570 0.147 0.000 3.066 271 I HA 0.278 4.449 4.170 0.001 0.000 0.307 271 I C -1.385 174.736 176.117 0.008 0.000 1.366 271 I CA -0.861 60.417 61.300 -0.036 0.000 0.972 271 I CB 2.013 39.714 38.000 -0.498 0.000 1.307 271 I HN 0.600 nan 8.210 nan 0.000 0.470 272 N N 3.104 121.804 118.700 -0.000 0.000 2.530 272 N HA 0.290 5.031 4.740 0.001 0.000 0.273 272 N C 0.022 175.595 175.510 0.105 0.000 1.173 272 N CA 0.631 53.717 53.050 0.059 0.000 0.967 272 N CB 0.350 38.879 38.487 0.070 0.000 1.109 272 N HN 0.627 nan 8.380 nan 0.000 0.453 273 N N 0.855 119.599 118.700 0.074 0.000 2.850 273 N HA -0.214 4.526 4.740 0.001 0.000 0.249 273 N C 0.775 176.297 175.510 0.020 0.000 1.060 273 N CA 0.852 53.925 53.050 0.039 0.000 0.825 273 N CB -1.661 36.834 38.487 0.014 0.000 1.132 273 N HN 0.649 nan 8.380 nan 0.000 0.564 274 A N 0.637 123.474 122.820 0.028 0.000 1.853 274 A HA -0.387 3.934 4.320 0.001 0.000 0.255 274 A C 1.827 179.375 177.584 -0.061 0.000 2.273 274 A CA 2.694 54.718 52.037 -0.021 0.000 0.797 274 A CB -0.964 18.032 19.000 -0.006 0.000 0.844 274 A HN 0.510 nan 8.150 nan 0.000 0.520 275 D N -1.131 119.235 120.400 -0.056 0.000 2.133 275 D HA -0.192 4.448 4.640 0.001 0.000 0.192 275 D C 2.283 178.511 176.300 -0.120 0.000 1.001 275 D CA 2.632 56.588 54.000 -0.074 0.000 0.844 275 D CB -0.915 39.851 40.800 -0.055 0.000 0.944 275 D HN 0.804 nan 8.370 nan 0.000 0.447 276 T N -1.400 113.050 114.554 -0.173 0.000 2.746 276 T HA -0.224 4.127 4.350 0.001 0.000 0.267 276 T C 2.081 176.560 174.700 -0.368 0.000 1.039 276 T CA 1.004 62.934 62.100 -0.283 0.000 1.142 276 T CB -0.836 67.797 68.868 -0.391 0.000 0.866 276 T HN 0.124 nan 8.240 nan 0.000 0.444 277 Y N 1.959 122.045 120.300 -0.357 0.000 2.439 277 Y HA 0.236 4.787 4.550 0.001 0.000 0.292 277 Y C 2.620 178.256 175.900 -0.440 0.000 1.130 277 Y CA 0.390 58.121 58.100 -0.615 0.000 1.254 277 Y CB -0.270 37.470 38.460 -1.200 0.000 1.000 277 Y HN 0.253 nan 8.280 nan 0.000 0.554 278 K N 0.139 120.455 120.400 -0.141 0.000 2.103 278 K HA -0.219 4.101 4.320 0.001 0.000 0.207 278 K C 2.314 178.913 176.600 -0.002 0.000 1.048 278 K CA 1.526 57.778 56.287 -0.060 0.000 0.930 278 K CB -0.247 32.212 32.500 -0.070 0.000 0.716 278 K HN 0.471 nan 8.250 nan 0.000 0.444 279 E N 1.756 121.936 120.200 -0.033 0.000 2.268 279 E HA -0.175 4.175 4.350 0.001 0.000 0.195 279 E C 1.626 178.241 176.600 0.025 0.000 0.995 279 E CA 1.080 57.471 56.400 -0.015 0.000 0.836 279 E CB -0.415 29.256 29.700 -0.048 0.000 0.763 279 E HN 0.295 nan 8.360 nan 0.000 0.491 280 E N 0.100 120.353 120.200 0.087 0.000 2.347 280 E HA -0.032 4.319 4.350 0.001 0.000 0.196 280 E C 2.242 178.958 176.600 0.192 0.000 1.008 280 E CA 0.790 57.292 56.400 0.169 0.000 0.852 280 E CB -0.068 29.861 29.700 0.381 0.000 0.783 280 E HN 0.464 nan 8.360 nan 0.000 0.505 281 V N 1.838 121.887 119.914 0.225 0.000 2.237 281 V HA -0.220 3.900 4.120 0.001 0.000 0.245 281 V C 2.225 178.411 176.094 0.153 0.000 1.046 281 V CA 1.759 64.178 62.300 0.198 0.000 1.007 281 V CB -0.287 31.643 31.823 0.180 0.000 0.638 281 V HN 0.147 nan 8.190 nan 0.000 0.445 282 E N -0.180 120.083 120.200 0.104 0.000 2.204 282 E HA -0.183 4.168 4.350 0.001 0.000 0.194 282 E C 2.120 178.770 176.600 0.083 0.000 0.989 282 E CA 0.863 57.318 56.400 0.091 0.000 0.824 282 E CB -0.258 29.475 29.700 0.054 0.000 0.756 282 E HN 0.548 nan 8.360 nan 0.000 0.477 283 K N 0.713 121.125 120.400 0.019 0.000 2.026 283 K HA -0.112 4.209 4.320 0.001 0.000 0.208 283 K C 2.067 178.618 176.600 -0.082 0.000 1.048 283 K CA 1.259 57.483 56.287 -0.104 0.000 0.929 283 K CB -0.064 32.302 32.500 -0.223 0.000 0.713 283 K HN 0.060 nan 8.250 nan 0.000 0.439 284 A N 1.404 124.238 122.820 0.023 0.000 1.908 284 A HA -0.229 4.091 4.320 0.001 0.000 0.218 284 A C 2.109 179.927 177.584 0.389 0.000 1.181 284 A CA 1.927 54.043 52.037 0.132 0.000 0.627 284 A CB -0.584 18.435 19.000 0.032 0.000 0.818 284 A HN 0.421 nan 8.150 nan 0.000 0.445 285 R N -0.595 120.154 120.500 0.416 0.000 2.092 285 R HA -0.056 4.284 4.340 0.001 0.000 0.231 285 R C 1.830 178.407 176.300 0.462 0.000 1.119 285 R CA 1.663 58.019 56.100 0.426 0.000 0.970 285 R CB -0.463 29.913 30.300 0.127 0.000 0.864 285 R HN 0.260 nan 8.270 nan 0.000 0.440 286 V N 0.155 120.315 119.914 0.409 0.000 2.270 286 V HA -0.239 3.881 4.120 0.001 0.000 0.245 286 V C 1.970 178.466 176.094 0.669 0.000 1.043 286 V CA 1.644 64.270 62.300 0.544 0.000 1.014 286 V CB -0.724 31.302 31.823 0.338 0.000 0.645 286 V HN 0.300 nan 8.190 nan 0.000 0.447 287 Y N -0.060 120.425 120.300 0.308 0.000 2.114 287 Y HA -0.296 4.254 4.550 0.001 0.000 0.282 287 Y C 2.537 178.594 175.900 0.261 0.000 1.165 287 Y CA 1.532 59.776 58.100 0.239 0.000 1.148 287 Y CB -1.378 37.189 38.460 0.178 0.000 0.972 287 Y HN 0.466 nan 8.280 nan 0.000 0.504 288 Y N -0.438 120.120 120.300 0.431 0.000 2.081 288 Y HA -0.358 4.192 4.550 0.001 0.000 0.280 288 Y C 2.360 178.492 175.900 0.386 0.000 1.163 288 Y CA 1.917 60.247 58.100 0.384 0.000 1.135 288 Y CB -1.330 37.419 38.460 0.483 0.000 0.970 288 Y HN 0.056 nan 8.280 nan 0.000 0.498 289 F N 1.188 120.988 119.950 -0.250 0.000 2.186 289 F HA 0.056 4.584 4.527 0.001 0.000 0.299 289 F C 2.399 178.067 175.800 -0.220 0.000 1.090 289 F CA 1.552 59.279 58.000 -0.456 0.000 1.307 289 F CB -0.915 37.993 39.000 -0.153 0.000 1.019 289 F HN 0.150 nan 8.300 nan 0.000 0.489 290 G N -0.742 108.019 108.800 -0.066 0.000 2.446 290 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 290 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 290 G C 1.673 176.483 174.900 -0.150 0.000 1.168 290 G CA 1.479 46.552 45.100 -0.046 0.000 0.771 290 G HN 0.379 nan 8.290 nan 0.000 0.551 291 T N -0.377 114.115 114.554 -0.103 0.000 2.777 291 T HA -0.142 4.209 4.350 0.001 0.000 0.266 291 T C 2.015 176.697 174.700 -0.031 0.000 1.040 291 T CA 1.302 63.346 62.100 -0.092 0.000 1.141 291 T CB -0.310 68.486 68.868 -0.120 0.000 0.868 291 T HN 0.334 nan 8.240 nan 0.000 0.444 292 Y N 0.509 120.683 120.300 -0.209 0.000 2.314 292 Y HA -0.082 4.468 4.550 0.001 0.000 0.293 292 Y C 2.157 177.824 175.900 -0.388 0.000 1.129 292 Y CA 0.534 58.522 58.100 -0.187 0.000 1.201 292 Y CB -0.435 37.771 38.460 -0.423 0.000 0.999 292 Y HN 0.319 nan 8.280 nan 0.000 0.541 293 Y N 0.097 119.882 120.300 -0.860 0.000 2.200 293 Y HA -0.137 4.414 4.550 0.001 0.000 0.290 293 Y C 2.381 177.982 175.900 -0.498 0.000 1.137 293 Y CA 1.598 59.162 58.100 -0.893 0.000 1.163 293 Y CB -0.703 37.057 38.460 -1.167 0.000 0.988 293 Y HN 0.109 nan 8.280 nan 0.000 0.518 294 A N -0.651 122.004 122.820 -0.276 0.000 1.877 294 A HA -0.215 4.106 4.320 0.001 0.000 0.216 294 A C 2.482 179.914 177.584 -0.254 0.000 1.186 294 A CA 1.929 53.840 52.037 -0.208 0.000 0.620 294 A CB -1.543 17.414 19.000 -0.072 0.000 0.822 294 A HN 0.531 nan 8.150 nan 0.000 0.443 295 S N -0.640 114.925 115.700 -0.224 0.000 2.368 295 S HA -0.316 4.154 4.470 0.001 0.000 0.226 295 S C 2.183 176.583 174.600 -0.333 0.000 1.044 295 S CA 2.080 60.164 58.200 -0.193 0.000 1.062 295 S CB -0.475 62.675 63.200 -0.083 0.000 0.931 295 S HN 0.670 nan 8.310 nan 0.000 0.440 296 Q N 0.120 119.571 119.800 -0.582 0.000 2.096 296 Q HA -0.088 4.253 4.340 0.001 0.000 0.204 296 Q C 2.379 178.169 176.000 -0.349 0.000 0.982 296 Q CA 1.781 57.271 55.803 -0.521 0.000 0.850 296 Q CB -0.338 27.998 28.738 -0.670 0.000 0.901 296 Q HN 0.562 nan 8.270 nan 0.000 0.422 297 L N 0.063 121.029 121.223 -0.430 0.000 2.017 297 L HA -0.215 4.126 4.340 0.001 0.000 0.208 297 L C 2.338 179.129 176.870 -0.132 0.000 1.073 297 L CA 1.027 55.688 54.840 -0.298 0.000 0.745 297 L CB -0.456 41.394 42.059 -0.348 0.000 0.894 297 L HN 0.252 nan 8.230 nan 0.000 0.432 298 I N 0.067 120.583 120.570 -0.089 0.000 2.142 298 I HA -0.290 3.881 4.170 0.001 0.000 0.240 298 I C 2.808 178.990 176.117 0.108 0.000 1.078 298 I CA 1.359 62.688 61.300 0.049 0.000 1.343 298 I CB -0.493 37.584 38.000 0.128 0.000 1.046 298 I HN 0.188 nan 8.210 nan 0.000 0.405 299 A N 0.862 123.723 122.820 0.067 0.000 1.972 299 A HA 0.069 4.390 4.320 0.001 0.000 0.219 299 A C 1.645 179.204 177.584 -0.042 0.000 1.169 299 A CA 0.916 53.007 52.037 0.090 0.000 0.635 299 A CB -0.859 18.152 19.000 0.018 0.000 0.810 299 A HN 0.372 nan 8.150 nan 0.000 0.446 300 A N 1.060 123.853 122.820 -0.045 0.000 2.561 300 A HA 0.428 4.748 4.320 0.001 0.000 0.251 300 A C -2.220 175.275 177.584 -0.149 0.000 1.062 300 A CA -0.785 51.187 52.037 -0.108 0.000 0.761 300 A CB -0.468 18.569 19.000 0.061 0.000 0.986 300 A HN 0.307 nan 8.150 nan 0.000 0.510 301 P HA 0.159 nan 4.420 nan 0.000 0.272 301 P C 0.814 178.105 177.300 -0.015 0.000 1.240 301 P CA -0.237 62.774 63.100 -0.149 0.000 0.791 301 P CB 0.614 32.185 31.700 -0.215 0.000 0.978 302 S N 0.499 116.180 115.700 -0.032 0.000 2.447 302 S HA -0.120 4.350 4.470 0.001 0.000 0.233 302 S C 1.503 176.058 174.600 -0.074 0.000 1.006 302 S CA 1.058 59.240 58.200 -0.029 0.000 0.957 302 S CB -0.915 62.268 63.200 -0.028 0.000 0.773 302 S HN 0.640 nan 8.310 nan 0.000 0.507 303 N N 0.790 119.450 118.700 -0.067 0.000 2.331 303 N HA -0.128 4.613 4.740 0.001 0.000 0.180 303 N C 1.233 176.648 175.510 -0.158 0.000 1.019 303 N CA 1.248 54.239 53.050 -0.098 0.000 0.881 303 N CB -0.645 37.767 38.487 -0.124 0.000 0.972 303 N HN 0.459 nan 8.380 nan 0.000 0.435 304 Y N 0.512 120.777 120.300 -0.057 0.000 2.230 304 Y HA 0.172 4.722 4.550 0.001 0.000 0.294 304 Y C 1.207 177.071 175.900 -0.061 0.000 1.120 304 Y CA 0.445 58.542 58.100 -0.006 0.000 1.129 304 Y CB -0.189 38.335 38.460 0.106 0.000 1.040 304 Y HN 0.113 nan 8.280 nan 0.000 0.519 305 C N 3.238 122.593 119.300 0.092 0.000 2.135 305 C HA 0.419 4.879 4.460 0.001 0.000 0.345 305 C C -0.183 174.736 174.990 -0.117 0.000 1.067 305 C CA -0.943 58.069 59.018 -0.010 0.000 1.517 305 C CB -2.754 24.989 27.740 0.005 0.000 1.923 305 C HN 0.530 nan 8.230 nan 0.000 0.466 306 N N 4.245 122.797 118.700 -0.246 0.000 2.531 306 N HA 0.641 5.382 4.740 0.001 0.000 0.290 306 N C -2.409 172.939 175.510 -0.269 0.000 1.257 306 N CA -1.859 50.923 53.050 -0.447 0.000 0.863 306 N CB 0.604 38.366 38.487 -1.208 0.000 1.320 306 N HN 0.039 nan 8.380 nan 0.000 0.538 307 P HA -0.156 nan 4.420 nan 0.000 0.216 307 P C 1.076 178.368 177.300 -0.014 0.000 1.150 307 P CA 0.973 64.052 63.100 -0.036 0.000 0.843 307 P CB 0.189 31.926 31.700 0.061 0.000 0.787 308 V N 0.104 119.999 119.914 -0.031 0.000 2.323 308 V HA -0.199 3.921 4.120 0.001 0.000 0.244 308 V C 2.578 178.674 176.094 0.002 0.000 1.041 308 V CA 2.386 64.703 62.300 0.028 0.000 1.025 308 V CB -1.686 30.189 31.823 0.086 0.000 0.656 308 V HN 0.256 nan 8.190 nan 0.000 0.451 309 S N 0.344 116.015 115.700 -0.048 0.000 2.383 309 S HA -0.157 4.313 4.470 0.001 0.000 0.227 309 S C 1.989 176.583 174.600 -0.010 0.000 1.026 309 S CA 1.415 59.601 58.200 -0.023 0.000 0.981 309 S CB -0.533 62.643 63.200 -0.039 0.000 0.818 309 S HN 0.333 nan 8.310 nan 0.000 0.472 310 L N 3.157 124.363 121.223 -0.029 0.000 1.994 310 L HA -0.025 4.316 4.340 0.001 0.000 0.208 310 L C 2.718 179.598 176.870 0.016 0.000 1.071 310 L CA 2.362 57.194 54.840 -0.014 0.000 0.745 310 L CB -1.564 40.477 42.059 -0.030 0.000 0.892 310 L HN 0.591 nan 8.230 nan 0.000 0.431 311 S N -0.775 114.941 115.700 0.026 0.000 2.399 311 S HA -0.178 4.292 4.470 0.001 0.000 0.231 311 S C 1.828 176.454 174.600 0.043 0.000 1.022 311 S CA 1.169 59.399 58.200 0.051 0.000 0.983 311 S CB -0.877 62.369 63.200 0.077 0.000 0.803 311 S HN 0.522 nan 8.310 nan 0.000 0.480 312 N N 2.786 121.508 118.700 0.036 0.000 2.104 312 N HA 0.029 4.770 4.740 0.001 0.000 0.190 312 N C 1.934 177.459 175.510 0.026 0.000 1.024 312 N CA 1.587 54.652 53.050 0.026 0.000 0.853 312 N CB -0.942 37.565 38.487 0.032 0.000 1.008 312 N HN 0.632 nan 8.380 nan 0.000 0.424 313 A N 0.709 123.560 122.820 0.051 0.000 1.930 313 A HA 0.111 4.432 4.320 0.001 0.000 0.217 313 A C 2.340 179.998 177.584 0.124 0.000 1.175 313 A CA 1.683 53.781 52.037 0.102 0.000 0.627 313 A CB -0.700 18.353 19.000 0.088 0.000 0.815 313 A HN 0.306 nan 8.150 nan 0.000 0.443 314 A N -0.474 122.396 122.820 0.083 0.000 1.902 314 A HA -0.006 4.315 4.320 0.001 0.000 0.217 314 A C 2.220 179.783 177.584 -0.035 0.000 1.181 314 A CA 1.765 53.841 52.037 0.066 0.000 0.623 314 A CB -0.938 18.106 19.000 0.074 0.000 0.818 314 A HN 0.363 nan 8.150 nan 0.000 0.443 315 V N 0.070 119.911 119.914 -0.122 0.000 2.343 315 V HA -0.289 3.831 4.120 0.001 0.000 0.247 315 V C 2.549 178.430 176.094 -0.354 0.000 1.051 315 V CA 2.408 64.453 62.300 -0.425 0.000 1.036 315 V CB -0.713 30.884 31.823 -0.377 0.000 0.654 315 V HN 0.807 nan 8.190 nan 0.000 0.451 316 E N -0.167 119.951 120.200 -0.136 0.000 2.085 316 E HA -0.277 4.073 4.350 0.001 0.000 0.194 316 E C 2.155 178.725 176.600 -0.049 0.000 0.994 316 E CA 1.652 58.014 56.400 -0.063 0.000 0.801 316 E CB -0.157 29.573 29.700 0.051 0.000 0.743 316 E HN 0.464 nan 8.360 nan 0.000 0.453 317 L N 0.613 121.841 121.223 0.009 0.000 2.056 317 L HA -0.043 4.297 4.340 0.001 0.000 0.207 317 L C 2.270 179.115 176.870 -0.040 0.000 1.078 317 L CA 2.098 56.939 54.840 0.002 0.000 0.749 317 L CB -0.656 41.400 42.059 -0.005 0.000 0.901 317 L HN 0.188 nan 8.230 nan 0.000 0.433 318 A N -1.059 121.725 122.820 -0.060 0.000 1.902 318 A HA -0.275 4.046 4.320 0.001 0.000 0.217 318 A C 2.216 179.811 177.584 0.019 0.000 1.181 318 A CA 1.937 53.972 52.037 -0.003 0.000 0.623 318 A CB -0.623 18.390 19.000 0.022 0.000 0.818 318 A HN 0.650 nan 8.150 nan 0.000 0.443 319 Q N -0.447 119.314 119.800 -0.064 0.000 2.084 319 Q HA -0.157 4.183 4.340 0.001 0.000 0.202 319 Q C 2.020 178.010 176.000 -0.015 0.000 0.978 319 Q CA 1.714 57.513 55.803 -0.007 0.000 0.844 319 Q CB -0.165 28.541 28.738 -0.054 0.000 0.898 319 Q HN 0.636 nan 8.270 nan 0.000 0.426 320 K N 0.134 120.497 120.400 -0.060 0.000 2.211 320 K HA -0.065 4.255 4.320 0.001 0.000 0.203 320 K C 1.513 178.092 176.600 -0.035 0.000 1.050 320 K CA 0.755 56.992 56.287 -0.082 0.000 0.945 320 K CB 0.159 32.558 32.500 -0.169 0.000 0.732 320 K HN 0.206 nan 8.250 nan 0.000 0.451 321 L N 0.449 121.668 121.223 -0.006 0.000 2.640 321 L HA 0.109 4.450 4.340 0.001 0.000 0.230 321 L C -0.089 176.810 176.870 0.049 0.000 1.123 321 L CA -0.202 54.644 54.840 0.010 0.000 0.900 321 L CB -0.009 42.048 42.059 -0.005 0.000 1.146 321 L HN 0.207 nan 8.230 nan 0.000 0.484 322 N N 1.097 119.832 118.700 0.058 0.000 2.725 322 N HA -0.165 4.575 4.740 0.001 0.000 0.249 322 N C -0.327 175.251 175.510 0.113 0.000 1.103 322 N CA 0.755 53.853 53.050 0.080 0.000 0.707 322 N CB -1.162 37.359 38.487 0.057 0.000 1.043 322 N HN 0.291 nan 8.380 nan 0.000 0.553 323 L N 0.690 122.003 121.223 0.151 0.000 2.375 323 L HA 0.187 4.527 4.340 0.001 0.000 0.271 323 L C 1.005 178.010 176.870 0.224 0.000 1.107 323 L CA -0.485 54.471 54.840 0.194 0.000 0.806 323 L CB 0.941 43.125 42.059 0.209 0.000 1.146 323 L HN -0.087 nan 8.230 nan 0.000 0.447 324 E N 1.055 121.348 120.200 0.155 0.000 2.384 324 E HA 0.183 4.534 4.350 0.001 0.000 0.266 324 E C -1.047 175.668 176.600 0.191 0.000 1.012 324 E CA 0.042 56.490 56.400 0.081 0.000 0.901 324 E CB 0.829 30.531 29.700 0.004 0.000 0.967 324 E HN 0.428 nan 8.360 nan 0.000 0.435 325 Y N -1.099 119.244 120.300 0.071 0.000 2.562 325 Y HA 0.750 5.301 4.550 0.001 0.000 0.345 325 Y C -0.606 175.340 175.900 0.076 0.000 1.045 325 Y CA -1.441 56.720 58.100 0.102 0.000 1.028 325 Y CB 1.778 40.306 38.460 0.113 0.000 1.297 325 Y HN 0.429 nan 8.280 nan 0.000 0.463 326 K N 3.424 123.966 120.400 0.236 0.000 2.513 326 K HA 0.577 4.898 4.320 0.001 0.000 0.251 326 K C -2.124 174.670 176.600 0.323 0.000 0.939 326 K CA -0.679 55.717 56.287 0.182 0.000 0.793 326 K CB 1.496 34.041 32.500 0.074 0.000 1.241 326 K HN 0.767 nan 8.250 nan 0.000 0.431 327 I N 5.244 125.988 120.570 0.291 0.000 2.330 327 I HA 0.249 4.420 4.170 0.001 0.000 0.289 327 I C -0.627 175.624 176.117 0.223 0.000 1.001 327 I CA -0.941 60.522 61.300 0.271 0.000 1.193 327 I CB 1.001 39.141 38.000 0.233 0.000 1.345 327 I HN 0.553 nan 8.210 nan 0.000 0.461 328 L N 6.235 127.608 121.223 0.251 0.000 2.278 328 L HA 0.481 4.822 4.340 0.001 0.000 0.287 328 L C 0.975 177.955 176.870 0.182 0.000 1.072 328 L CA 0.293 55.241 54.840 0.180 0.000 0.819 328 L CB 0.835 42.955 42.059 0.102 0.000 1.176 328 L HN 0.686 nan 8.230 nan 0.000 0.435 329 G N 2.426 111.301 108.800 0.125 0.000 2.557 329 G HA2 0.418 4.378 3.960 0.001 0.000 0.292 329 G HA3 0.418 4.378 3.960 0.001 0.000 0.292 329 G C 0.984 175.922 174.900 0.063 0.000 1.237 329 G CA -0.620 44.538 45.100 0.097 0.000 0.978 329 G HN 0.374 nan 8.290 nan 0.000 0.498 330 V N 0.553 120.487 119.914 0.033 0.000 2.332 330 V HA -0.170 3.950 4.120 0.001 0.000 0.248 330 V C 2.917 179.014 176.094 0.005 0.000 1.055 330 V CA 1.862 64.160 62.300 -0.003 0.000 1.038 330 V CB -0.398 31.415 31.823 -0.016 0.000 0.651 330 V HN 0.553 nan 8.190 nan 0.000 0.450 331 K N 0.180 120.590 120.400 0.018 0.000 2.026 331 K HA -0.199 4.121 4.320 0.001 0.000 0.208 331 K C 2.059 178.673 176.600 0.022 0.000 1.048 331 K CA 1.722 58.019 56.287 0.018 0.000 0.929 331 K CB -0.393 32.119 32.500 0.021 0.000 0.713 331 K HN 0.623 nan 8.250 nan 0.000 0.439 332 E N 0.850 121.069 120.200 0.033 0.000 2.072 332 E HA -0.092 4.258 4.350 0.001 0.000 0.191 332 E C 2.222 178.840 176.600 0.030 0.000 0.985 332 E CA 0.676 57.097 56.400 0.036 0.000 0.801 332 E CB -0.188 29.541 29.700 0.049 0.000 0.750 332 E HN 0.153 nan 8.360 nan 0.000 0.452 333 L N 1.066 122.308 121.223 0.031 0.000 2.042 333 L HA -0.227 4.113 4.340 0.001 0.000 0.210 333 L C 2.356 179.239 176.870 0.021 0.000 1.076 333 L CA 1.376 56.234 54.840 0.031 0.000 0.749 333 L CB -0.431 41.644 42.059 0.028 0.000 0.893 333 L HN 0.138 nan 8.230 nan 0.000 0.432 334 E N -0.001 120.204 120.200 0.008 0.000 2.051 334 E HA -0.239 4.112 4.350 0.001 0.000 0.192 334 E C 2.143 178.753 176.600 0.017 0.000 0.991 334 E CA 1.168 57.572 56.400 0.007 0.000 0.799 334 E CB -0.059 29.642 29.700 0.002 0.000 0.748 334 E HN 0.474 nan 8.360 nan 0.000 0.449 335 E N 0.404 120.615 120.200 0.019 0.000 2.118 335 E HA -0.168 4.183 4.350 0.001 0.000 0.195 335 E C 1.840 178.454 176.600 0.024 0.000 0.992 335 E CA 0.709 57.121 56.400 0.020 0.000 0.804 335 E CB 0.018 29.730 29.700 0.021 0.000 0.741 335 E HN 0.237 nan 8.360 nan 0.000 0.458 336 L N 0.126 121.367 121.223 0.030 0.000 2.599 336 L HA 0.028 4.368 4.340 0.001 0.000 0.230 336 L C 0.354 177.251 176.870 0.044 0.000 1.141 336 L CA 0.272 55.135 54.840 0.039 0.000 0.877 336 L CB -0.013 42.076 42.059 0.049 0.000 1.009 336 L HN 0.027 nan 8.230 nan 0.000 0.447 337 K N -0.291 120.133 120.400 0.039 0.000 3.129 337 K HA -0.199 4.122 4.320 0.001 0.000 0.273 337 K C 0.080 176.717 176.600 0.061 0.000 1.123 337 K CA 0.537 56.850 56.287 0.044 0.000 0.800 337 K CB -1.470 31.055 32.500 0.041 0.000 1.238 337 K HN 0.311 nan 8.250 nan 0.000 0.492 338 M N 0.511 120.154 119.600 0.072 0.000 3.596 338 M HA 0.032 4.512 4.480 0.001 0.000 0.219 338 M C 1.703 178.055 176.300 0.087 0.000 1.471 338 M CA 0.443 55.811 55.300 0.113 0.000 1.644 338 M CB 0.158 32.876 32.600 0.196 0.000 1.083 338 M HN 0.406 nan 8.290 nan 0.000 0.579 339 G N 0.510 109.349 108.800 0.065 0.000 2.422 339 G HA2 -0.125 3.835 3.960 0.001 0.000 0.218 339 G HA3 -0.125 3.835 3.960 0.001 0.000 0.218 339 G C 1.513 176.436 174.900 0.038 0.000 1.140 339 G CA 0.996 46.120 45.100 0.041 0.000 0.775 339 G HN 0.651 nan 8.290 nan 0.000 0.545 340 A N 0.223 123.083 122.820 0.067 0.000 1.855 340 A HA -0.010 4.310 4.320 0.001 0.000 0.215 340 A C 2.227 179.839 177.584 0.046 0.000 1.191 340 A CA 1.711 53.781 52.037 0.055 0.000 0.613 340 A CB -0.775 18.253 19.000 0.046 0.000 0.829 340 A HN 0.414 nan 8.150 nan 0.000 0.442 341 Y N 0.689 120.960 120.300 -0.049 0.000 2.114 341 Y HA -0.150 4.400 4.550 0.001 0.000 0.284 341 Y C 1.913 177.772 175.900 -0.068 0.000 1.143 341 Y CA 1.688 59.762 58.100 -0.044 0.000 1.135 341 Y CB -0.752 37.724 38.460 0.026 0.000 0.980 341 Y HN 0.198 nan 8.280 nan 0.000 0.499 342 L N -0.770 120.319 121.223 -0.222 0.000 2.131 342 L HA -0.208 4.132 4.340 0.001 0.000 0.210 342 L C 2.538 179.267 176.870 -0.235 0.000 1.092 342 L CA 1.368 56.014 54.840 -0.323 0.000 0.759 342 L CB -0.639 41.300 42.059 -0.200 0.000 0.903 342 L HN 0.128 nan 8.230 nan 0.000 0.435 343 S N -0.533 115.046 115.700 -0.202 0.000 2.368 343 S HA -0.155 4.315 4.470 0.001 0.000 0.225 343 S C 2.049 176.270 174.600 -0.631 0.000 1.030 343 S CA 1.261 59.291 58.200 -0.283 0.000 0.999 343 S CB -0.202 62.883 63.200 -0.191 0.000 0.844 343 S HN 0.179 nan 8.310 nan 0.000 0.459 344 V N 1.475 120.971 119.914 -0.697 0.000 2.332 344 V HA -0.178 3.943 4.120 0.001 0.000 0.248 344 V C 2.506 178.429 176.094 -0.285 0.000 1.055 344 V CA 2.005 63.904 62.300 -0.668 0.000 1.038 344 V CB -1.347 30.306 31.823 -0.282 0.000 0.651 344 V HN 0.603 nan 8.190 nan 0.000 0.450 345 G N -1.143 107.535 108.800 -0.203 0.000 2.650 345 G HA2 -0.127 3.834 3.960 0.001 0.000 0.214 345 G HA3 -0.127 3.834 3.960 0.001 0.000 0.214 345 G C 1.539 176.397 174.900 -0.070 0.000 1.136 345 G CA 0.234 45.272 45.100 -0.104 0.000 0.789 345 G HN 0.451 nan 8.290 nan 0.000 0.536 346 K N 0.166 120.512 120.400 -0.089 0.000 2.089 346 K HA -0.132 4.189 4.320 0.001 0.000 0.210 346 K C 2.525 179.136 176.600 0.019 0.000 1.048 346 K CA 1.274 57.545 56.287 -0.027 0.000 0.926 346 K CB -0.295 32.206 32.500 0.002 0.000 0.714 346 K HN 0.283 nan 8.250 nan 0.000 0.448 347 G N 0.225 109.057 108.800 0.053 0.000 2.679 347 G HA2 -0.106 3.854 3.960 0.001 0.000 0.212 347 G HA3 -0.106 3.854 3.960 0.001 0.000 0.212 347 G C 0.372 175.291 174.900 0.031 0.000 1.137 347 G CA -0.017 45.121 45.100 0.064 0.000 0.787 347 G HN 0.194 nan 8.290 nan 0.000 0.534 348 S N -0.141 115.573 115.700 0.024 0.000 2.585 348 S HA 0.369 4.839 4.470 0.001 0.000 0.277 348 S C 1.677 176.236 174.600 -0.068 0.000 1.241 348 S CA -0.539 57.674 58.200 0.021 0.000 1.041 348 S CB 0.898 64.164 63.200 0.111 0.000 0.987 348 S HN 0.294 nan 8.310 nan 0.000 0.512 349 M N 2.857 122.329 119.600 -0.213 0.000 2.557 349 M HA 0.165 4.645 4.480 0.001 0.000 0.259 349 M C -0.892 175.143 176.300 -0.443 0.000 1.086 349 M CA 0.751 55.828 55.300 -0.373 0.000 1.096 349 M CB -0.418 31.867 32.600 -0.526 0.000 1.424 349 M HN 0.538 nan 8.290 nan 0.000 0.488 350 Y N 2.103 122.405 120.300 0.003 0.000 2.341 350 Y HA 0.525 5.075 4.550 0.001 0.000 0.340 350 Y C -2.296 173.604 175.900 0.001 0.000 0.997 350 Y CA -2.924 55.180 58.100 0.007 0.000 1.149 350 Y CB 0.180 38.650 38.460 0.016 0.000 1.171 350 Y HN 0.014 nan 8.280 nan 0.000 0.494 351 P HA -0.014 nan 4.420 nan 0.000 0.268 351 P C -0.664 176.679 177.300 0.073 0.000 1.205 351 P CA -0.156 62.982 63.100 0.064 0.000 0.771 351 P CB 0.545 32.279 31.700 0.057 0.000 0.858 352 N N 2.663 121.362 118.700 -0.003 0.000 2.353 352 N HA 0.022 4.763 4.740 0.001 0.000 0.248 352 N C 0.030 175.602 175.510 0.103 0.000 1.240 352 N CA 0.750 53.793 53.050 -0.011 0.000 0.862 352 N CB 0.012 38.295 38.487 -0.340 0.000 1.086 352 N HN 0.206 nan 8.380 nan 0.000 0.453 353 K N 1.944 122.467 120.400 0.205 0.000 2.507 353 K HA 0.278 4.599 4.320 0.001 0.000 0.252 353 K C -1.200 175.582 176.600 0.303 0.000 0.943 353 K CA -0.521 55.901 56.287 0.225 0.000 0.808 353 K CB 1.393 33.983 32.500 0.149 0.000 1.142 353 K HN 0.402 nan 8.250 nan 0.000 0.426 354 F N 4.102 124.162 119.950 0.185 0.000 2.391 354 F HA 0.413 4.940 4.527 0.001 0.000 0.359 354 F C 0.101 175.937 175.800 0.059 0.000 1.122 354 F CA -0.912 57.135 58.000 0.077 0.000 1.120 354 F CB 0.472 39.483 39.000 0.018 0.000 1.142 354 F HN 0.386 nan 8.300 nan 0.000 0.483 355 I N 6.336 126.877 120.570 -0.048 0.000 2.352 355 I HA 0.155 4.325 4.170 0.001 0.000 0.290 355 I C -0.515 175.756 176.117 0.257 0.000 1.036 355 I CA -0.203 61.170 61.300 0.121 0.000 1.336 355 I CB 0.736 38.757 38.000 0.034 0.000 1.407 355 I HN 0.590 nan 8.210 nan 0.000 0.497 356 H N 6.784 126.050 119.070 0.328 0.000 2.887 356 H HA 0.438 4.994 4.556 0.001 0.000 0.300 356 H C -1.403 174.161 175.328 0.393 0.000 1.038 356 H CA -0.953 55.337 56.048 0.404 0.000 1.352 356 H CB 0.886 30.919 29.762 0.452 0.000 1.473 356 H HN 0.370 nan 8.280 nan 0.000 0.503 357 L N 3.762 125.396 121.223 0.685 0.000 2.334 357 L HA 0.433 4.774 4.340 0.001 0.000 0.275 357 L C 0.064 177.358 176.870 0.706 0.000 1.036 357 L CA -0.229 54.967 54.840 0.592 0.000 0.807 357 L CB 1.941 44.273 42.059 0.456 0.000 1.231 357 L HN 0.625 nan 8.230 nan 0.000 0.438 358 T N 1.885 116.724 114.554 0.476 0.000 2.881 358 T HA 0.393 4.743 4.350 0.001 0.000 0.290 358 T C -1.482 173.407 174.700 0.315 0.000 1.000 358 T CA -0.388 61.890 62.100 0.296 0.000 0.978 358 T CB 1.150 70.079 68.868 0.103 0.000 0.997 358 T HN 0.323 nan 8.240 nan 0.000 0.443 359 Y N 2.607 123.019 120.300 0.185 0.000 2.341 359 Y HA 0.642 5.192 4.550 0.001 0.000 0.338 359 Y C -0.395 175.516 175.900 0.019 0.000 0.965 359 Y CA -0.813 57.377 58.100 0.150 0.000 1.108 359 Y CB 1.020 39.647 38.460 0.278 0.000 1.180 359 Y HN 0.451 nan 8.280 nan 0.000 0.458 360 K N 4.345 124.381 120.400 -0.606 0.000 2.292 360 K HA 0.488 4.808 4.320 0.001 0.000 0.257 360 K C -0.671 175.500 176.600 -0.716 0.000 0.940 360 K CA -0.632 55.369 56.287 -0.477 0.000 0.811 360 K CB 1.454 33.811 32.500 -0.238 0.000 1.120 360 K HN 0.791 nan 8.250 nan 0.000 0.428 361 S N 2.254 117.717 115.700 -0.396 0.000 2.593 361 S HA 0.076 4.546 4.470 0.001 0.000 0.269 361 S C 1.027 175.535 174.600 -0.152 0.000 1.334 361 S CA -0.298 57.772 58.200 -0.217 0.000 1.015 361 S CB 1.138 64.338 63.200 0.000 0.000 0.912 361 S HN 0.567 nan 8.310 nan 0.000 0.541 362 K N 1.050 121.398 120.400 -0.087 0.000 2.057 362 K HA -0.029 4.292 4.320 0.001 0.000 0.206 362 K C 1.457 178.034 176.600 -0.038 0.000 1.050 362 K CA 1.034 57.286 56.287 -0.058 0.000 0.935 362 K CB -0.390 32.093 32.500 -0.028 0.000 0.715 362 K HN 0.709 nan 8.250 nan 0.000 0.439 363 G N 0.539 109.326 108.800 -0.021 0.000 2.485 363 G HA2 0.154 4.114 3.960 0.001 0.000 0.260 363 G HA3 0.154 4.114 3.960 0.001 0.000 0.260 363 G C -0.669 174.221 174.900 -0.017 0.000 1.459 363 G CA 0.019 45.111 45.100 -0.014 0.000 1.060 363 G HN 0.373 nan 8.290 nan 0.000 0.546 364 D N -1.529 118.865 120.400 -0.011 0.000 2.424 364 D HA 0.403 5.043 4.640 0.001 0.000 0.244 364 D C 0.069 176.364 176.300 -0.009 0.000 1.134 364 D CA -0.245 53.749 54.000 -0.011 0.000 0.881 364 D CB 1.036 41.831 40.800 -0.008 0.000 1.191 364 D HN 0.315 nan 8.370 nan 0.000 0.445 365 V N 2.877 122.785 119.914 -0.011 0.000 2.408 365 V HA 0.220 4.341 4.120 0.001 0.000 0.267 365 V C 1.217 177.307 176.094 -0.005 0.000 1.047 365 V CA -0.114 62.182 62.300 -0.006 0.000 0.937 365 V CB 0.964 32.781 31.823 -0.009 0.000 0.999 365 V HN 0.739 nan 8.190 nan 0.000 0.472 366 K N 2.892 123.291 120.400 -0.002 0.000 2.348 366 K HA 0.236 4.557 4.320 0.001 0.000 0.194 366 K C 0.295 176.886 176.600 -0.016 0.000 1.052 366 K CA 0.032 56.315 56.287 -0.008 0.000 1.004 366 K CB 0.479 32.977 32.500 -0.004 0.000 0.873 366 K HN 0.257 nan 8.250 nan 0.000 0.523 367 K N 1.527 121.922 120.400 -0.009 0.000 2.535 367 K HA 0.278 4.598 4.320 0.001 0.000 0.250 367 K C -1.702 174.902 176.600 0.005 0.000 0.948 367 K CA -0.332 55.944 56.287 -0.018 0.000 0.796 367 K CB 1.545 34.050 32.500 0.009 0.000 1.216 367 K HN -0.193 nan 8.250 nan 0.000 0.432 368 K N 3.985 124.381 120.400 -0.007 0.000 2.274 368 K HA 0.557 4.877 4.320 0.001 0.000 0.262 368 K C -0.550 176.106 176.600 0.094 0.000 0.961 368 K CA -0.555 55.766 56.287 0.056 0.000 0.833 368 K CB 1.357 33.898 32.500 0.069 0.000 1.102 368 K HN 0.454 nan 8.250 nan 0.000 0.436 369 I N 1.922 122.583 120.570 0.151 0.000 2.498 369 I HA 0.382 4.552 4.170 0.001 0.000 0.290 369 I C -0.584 175.649 176.117 0.193 0.000 1.032 369 I CA -0.924 60.505 61.300 0.215 0.000 1.073 369 I CB 2.130 40.275 38.000 0.240 0.000 1.251 369 I HN 0.578 nan 8.210 nan 0.000 0.426 370 A N 7.672 130.617 122.820 0.208 0.000 2.258 370 A HA 0.765 5.086 4.320 0.001 0.000 0.316 370 A C -0.743 176.928 177.584 0.145 0.000 1.279 370 A CA -0.433 51.706 52.037 0.169 0.000 0.876 370 A CB 0.446 19.534 19.000 0.147 0.000 1.170 370 A HN 0.688 nan 8.150 nan 0.000 0.520 371 L N 3.544 124.811 121.223 0.072 0.000 2.265 371 L HA 0.477 4.818 4.340 0.001 0.000 0.289 371 L C -0.803 176.137 176.870 0.117 0.000 1.033 371 L CA -0.734 54.163 54.840 0.095 0.000 0.814 371 L CB 1.541 43.648 42.059 0.080 0.000 1.203 371 L HN 0.400 nan 8.230 nan 0.000 0.423 372 V N 2.486 122.471 119.914 0.119 0.000 2.378 372 V HA 0.592 4.712 4.120 0.001 0.000 0.288 372 V C 0.514 176.648 176.094 0.066 0.000 1.016 372 V CA -0.497 61.854 62.300 0.085 0.000 0.840 372 V CB 1.551 33.443 31.823 0.116 0.000 0.994 372 V HN 0.849 nan 8.190 nan 0.000 0.431 373 G N 3.169 111.976 108.800 0.011 0.000 2.379 373 G HA2 0.505 4.465 3.960 0.001 0.000 0.327 373 G HA3 0.505 4.465 3.960 0.001 0.000 0.327 373 G C -0.603 174.263 174.900 -0.056 0.000 1.145 373 G CA -0.709 44.392 45.100 0.001 0.000 0.905 373 G HN 0.674 nan 8.290 nan 0.000 0.466 374 K N 1.158 121.536 120.400 -0.037 0.000 2.379 374 K HA 0.378 4.698 4.320 0.001 0.000 0.284 374 K C 0.532 177.076 176.600 -0.093 0.000 1.044 374 K CA -0.179 56.067 56.287 -0.069 0.000 0.974 374 K CB 0.575 33.048 32.500 -0.044 0.000 0.962 374 K HN 0.449 nan 8.250 nan 0.000 0.474 375 G N 6.162 114.897 108.800 -0.109 0.000 4.975 375 G HA2 0.244 4.205 3.960 0.001 0.000 0.312 375 G HA3 0.244 4.205 3.960 0.001 0.000 0.312 375 G C -0.432 174.438 174.900 -0.049 0.000 1.425 375 G CA -0.484 44.562 45.100 -0.089 0.000 1.076 375 G HN 0.498 nan 8.290 nan 0.000 0.586 376 I N 2.873 123.412 120.570 -0.051 0.000 2.308 376 I HA 0.115 4.285 4.170 0.001 0.000 0.293 376 I C 1.869 177.982 176.117 -0.007 0.000 1.078 376 I CA -0.125 61.162 61.300 -0.021 0.000 1.292 376 I CB 0.314 38.287 38.000 -0.045 0.000 1.423 376 I HN 0.312 nan 8.210 nan 0.000 0.493 377 T N 3.218 117.793 114.554 0.035 0.000 2.904 377 T HA -0.019 4.331 4.350 0.001 0.000 0.267 377 T C 0.324 175.126 174.700 0.170 0.000 1.059 377 T CA 0.713 62.846 62.100 0.055 0.000 1.137 377 T CB 0.059 68.932 68.868 0.008 0.000 0.879 377 T HN 0.283 nan 8.240 nan 0.000 0.467 378 F N 0.923 120.877 119.950 0.006 0.000 2.596 378 F HA 0.533 5.060 4.527 0.001 0.000 0.311 378 F C -2.154 173.666 175.800 0.032 0.000 1.116 378 F CA -1.759 56.253 58.000 0.020 0.000 0.957 378 F CB 2.178 41.192 39.000 0.022 0.000 1.250 378 F HN -0.130 nan 8.300 nan 0.000 0.444 379 D N 2.533 122.418 120.400 -0.858 0.000 2.464 379 D HA 0.213 4.853 4.640 0.001 0.000 0.243 379 D C 0.520 176.332 176.300 -0.813 0.000 1.104 379 D CA 0.098 53.748 54.000 -0.583 0.000 0.883 379 D CB 1.330 41.943 40.800 -0.312 0.000 1.050 379 D HN 0.482 nan 8.370 nan 0.000 0.524 380 S N 1.923 117.340 115.700 -0.472 0.000 2.527 380 S HA 0.218 4.688 4.470 0.001 0.000 0.222 380 S C 1.677 176.218 174.600 -0.099 0.000 0.985 380 S CA 0.675 58.772 58.200 -0.171 0.000 0.921 380 S CB 0.192 63.489 63.200 0.161 0.000 0.772 380 S HN 0.708 nan 8.310 nan 0.000 0.529 381 G N 0.500 109.244 108.800 -0.093 0.000 2.254 381 G HA2 0.173 4.133 3.960 0.001 0.000 0.225 381 G HA3 0.173 4.133 3.960 0.001 0.000 0.225 381 G C 1.173 176.073 174.900 0.000 0.000 1.003 381 G CA 0.246 45.322 45.100 -0.040 0.000 0.622 381 G HN 1.803 nan 8.290 nan 0.000 0.507 382 G N -0.712 108.090 108.800 0.003 0.000 2.601 382 G HA2 -0.157 3.803 3.960 0.001 0.000 0.252 382 G HA3 -0.157 3.803 3.960 0.001 0.000 0.252 382 G C 0.517 175.368 174.900 -0.082 0.000 1.294 382 G CA 0.568 45.672 45.100 0.007 0.000 0.912 382 G HN 1.081 nan 8.290 nan 0.000 0.574 383 Y N 1.023 121.308 120.300 -0.026 0.000 2.298 383 Y HA -0.093 4.457 4.550 0.001 0.000 0.287 383 Y C 2.400 178.270 175.900 -0.049 0.000 1.164 383 Y CA 2.007 60.082 58.100 -0.043 0.000 1.229 383 Y CB -0.264 38.154 38.460 -0.069 0.000 0.977 383 Y HN 0.429 nan 8.280 nan 0.000 0.538 384 N N 1.089 119.824 118.700 0.058 0.000 3.210 384 N HA 0.107 4.847 4.740 0.001 0.000 0.314 384 N C -0.730 174.779 175.510 -0.002 0.000 1.291 384 N CA -0.221 52.837 53.050 0.014 0.000 1.202 384 N CB -0.274 38.205 38.487 -0.015 0.000 1.475 384 N HN 0.088 nan 8.380 nan 0.000 0.554 385 L N 0.908 122.128 121.223 -0.006 0.000 2.559 385 L HA -0.066 4.275 4.340 0.001 0.000 0.282 385 L C 0.220 177.083 176.870 -0.013 0.000 1.232 385 L CA 0.329 55.157 54.840 -0.019 0.000 0.885 385 L CB 0.377 42.422 42.059 -0.023 0.000 1.131 385 L HN 0.267 nan 8.230 nan 0.000 0.498 386 K N 5.535 125.923 120.400 -0.020 0.000 2.021 386 K HA 0.141 4.461 4.320 0.001 0.000 0.238 386 K C 0.559 177.156 176.600 -0.005 0.000 1.149 386 K CA 0.575 56.852 56.287 -0.018 0.000 1.105 386 K CB -0.088 32.391 32.500 -0.036 0.000 1.246 386 K HN 0.769 nan 8.250 nan 0.000 0.307 387 A N 1.705 124.523 122.820 -0.003 0.000 2.287 387 A HA 0.269 4.589 4.320 0.001 0.000 0.214 387 A C 0.853 178.436 177.584 -0.001 0.000 1.228 387 A CA -0.065 51.972 52.037 -0.000 0.000 0.939 387 A CB 0.464 19.465 19.000 0.001 0.000 0.992 387 A HN 0.574 nan 8.150 nan 0.000 0.502 388 A N 1.360 124.178 122.820 -0.003 0.000 2.483 388 A HA 0.516 4.836 4.320 0.001 0.000 0.238 388 A C -2.437 175.146 177.584 -0.002 0.000 1.070 388 A CA -0.845 51.191 52.037 -0.002 0.000 0.770 388 A CB -0.588 18.411 19.000 -0.002 0.000 1.008 388 A HN 0.213 nan 8.150 nan 0.000 0.497 389 P HA 0.276 nan 4.420 nan 0.000 0.265 389 P C 0.990 178.289 177.300 -0.000 0.000 1.193 389 P CA 1.718 64.816 63.100 -0.003 0.000 0.765 389 P CB 0.622 32.320 31.700 -0.002 0.000 0.823 390 G N 2.367 111.162 108.800 -0.008 0.000 2.162 390 G HA2 -0.313 3.648 3.960 0.001 0.000 0.260 390 G HA3 -0.313 3.648 3.960 0.001 0.000 0.260 390 G C 1.097 175.993 174.900 -0.006 0.000 0.976 390 G CA 0.601 45.694 45.100 -0.012 0.000 0.655 390 G HN 0.614 nan 8.290 nan 0.000 0.533 391 S N -0.610 115.087 115.700 -0.006 0.000 2.522 391 S HA 0.280 4.750 4.470 0.001 0.000 0.227 391 S C 1.508 176.093 174.600 -0.025 0.000 0.986 391 S CA 1.139 59.336 58.200 -0.005 0.000 0.929 391 S CB -0.299 62.898 63.200 -0.006 0.000 0.769 391 S HN 1.233 nan 8.310 nan 0.000 0.529 392 M N 0.179 119.756 119.600 -0.038 0.000 2.249 392 M HA -0.175 4.306 4.480 0.001 0.000 0.198 392 M C 0.701 176.953 176.300 -0.081 0.000 0.394 392 M CA 0.308 55.566 55.300 -0.069 0.000 0.427 392 M CB -1.541 31.003 32.600 -0.094 0.000 1.307 392 M HN 0.552 nan 8.290 nan 0.000 0.924 393 I N 1.390 121.937 120.570 -0.038 0.000 2.335 393 I HA -0.290 3.880 4.170 0.001 0.000 0.251 393 I C 2.107 178.256 176.117 0.053 0.000 1.129 393 I CA 2.448 63.742 61.300 -0.010 0.000 1.402 393 I CB -0.041 37.987 38.000 0.046 0.000 1.069 393 I HN 0.598 nan 8.210 nan 0.000 0.424 394 D N 0.433 120.837 120.400 0.007 0.000 2.348 394 D HA -0.208 4.432 4.640 0.001 0.000 0.216 394 D C 1.945 178.179 176.300 -0.110 0.000 0.970 394 D CA 0.662 54.660 54.000 -0.003 0.000 0.889 394 D CB -0.288 40.486 40.800 -0.043 0.000 0.912 394 D HN 0.410 nan 8.370 nan 0.000 0.524 395 L N -0.338 120.743 121.223 -0.236 0.000 2.529 395 L HA 0.139 4.479 4.340 0.001 0.000 0.223 395 L C 1.849 178.526 176.870 -0.321 0.000 1.113 395 L CA 0.315 54.834 54.840 -0.534 0.000 0.861 395 L CB -0.142 41.453 42.059 -0.773 0.000 1.012 395 L HN -0.197 nan 8.230 nan 0.000 0.461 396 M N 0.090 119.648 119.600 -0.070 0.000 2.700 396 M HA -0.108 4.373 4.480 0.001 0.000 0.249 396 M C 1.807 178.192 176.300 0.141 0.000 1.082 396 M CA 0.824 56.122 55.300 -0.004 0.000 1.077 396 M CB -1.000 31.338 32.600 -0.437 0.000 1.477 396 M HN 0.393 nan 8.290 nan 0.000 0.529 397 K N 0.284 120.829 120.400 0.242 0.000 2.360 397 K HA -0.151 4.169 4.320 0.001 0.000 0.201 397 K C 1.526 178.241 176.600 0.192 0.000 1.046 397 K CA 1.144 57.567 56.287 0.226 0.000 0.945 397 K CB -0.884 31.685 32.500 0.114 0.000 0.750 397 K HN 0.473 nan 8.250 nan 0.000 0.464 398 F N 0.220 120.123 119.950 -0.079 0.000 2.797 398 F HA 0.227 4.755 4.527 0.001 0.000 0.302 398 F C 0.805 176.593 175.800 -0.020 0.000 1.130 398 F CA -0.528 57.451 58.000 -0.035 0.000 1.387 398 F CB 0.147 39.105 39.000 -0.069 0.000 1.107 398 F HN -0.127 nan 8.300 nan 0.000 0.577 399 D N 1.788 122.074 120.400 -0.189 0.000 2.352 399 D HA -0.016 4.624 4.640 0.001 0.000 0.232 399 D C 1.271 177.431 176.300 -0.234 0.000 1.055 399 D CA 0.640 54.415 54.000 -0.375 0.000 0.891 399 D CB 0.019 40.718 40.800 -0.169 0.000 0.897 399 D HN 0.474 nan 8.370 nan 0.000 0.529 400 M N -2.368 117.139 119.600 -0.155 0.000 2.475 400 M HA 0.399 4.880 4.480 0.001 0.000 0.283 400 M C 1.441 177.679 176.300 -0.103 0.000 1.165 400 M CA -0.206 55.031 55.300 -0.106 0.000 0.976 400 M CB 0.229 32.795 32.600 -0.057 0.000 1.428 400 M HN -0.319 nan 8.290 nan 0.000 0.495 401 S N 1.652 117.257 115.700 -0.158 0.000 2.387 401 S HA -0.092 4.378 4.470 0.001 0.000 0.230 401 S C 2.035 176.604 174.600 -0.052 0.000 1.035 401 S CA 1.904 60.049 58.200 -0.092 0.000 1.014 401 S CB -0.890 62.228 63.200 -0.137 0.000 0.836 401 S HN 0.789 nan 8.310 nan 0.000 0.466 402 G N 0.070 108.826 108.800 -0.074 0.000 2.418 402 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 402 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 402 G C 1.754 176.652 174.900 -0.003 0.000 1.158 402 G CA 1.075 46.163 45.100 -0.021 0.000 0.771 402 G HN 0.612 nan 8.290 nan 0.000 0.545 403 C N 0.967 120.249 119.300 -0.031 0.000 2.429 403 C HA 0.232 4.692 4.460 0.001 0.000 0.277 403 C C 3.417 178.414 174.990 0.010 0.000 1.262 403 C CA 1.544 60.550 59.018 -0.020 0.000 1.733 403 C CB -1.089 26.620 27.740 -0.052 0.000 2.010 403 C HN 0.538 nan 8.230 nan 0.000 0.483 404 A N 0.622 123.436 122.820 -0.010 0.000 1.877 404 A HA 0.087 4.407 4.320 0.001 0.000 0.216 404 A C 2.534 180.135 177.584 0.028 0.000 1.186 404 A CA 2.365 54.395 52.037 -0.011 0.000 0.620 404 A CB -1.283 17.685 19.000 -0.053 0.000 0.822 404 A HN 0.891 nan 8.150 nan 0.000 0.443 405 A N -0.597 122.242 122.820 0.032 0.000 1.883 405 A HA -0.059 4.261 4.320 0.001 0.000 0.217 405 A C 2.256 179.884 177.584 0.073 0.000 1.186 405 A CA 1.957 54.020 52.037 0.044 0.000 0.624 405 A CB -1.063 17.973 19.000 0.060 0.000 0.822 405 A HN 0.426 nan 8.150 nan 0.000 0.444 406 V N 0.079 120.054 119.914 0.103 0.000 2.343 406 V HA -0.260 3.860 4.120 0.001 0.000 0.247 406 V C 2.585 178.771 176.094 0.154 0.000 1.051 406 V CA 1.995 64.410 62.300 0.192 0.000 1.036 406 V CB -0.716 31.228 31.823 0.202 0.000 0.654 406 V HN 0.567 nan 8.190 nan 0.000 0.451 407 L N 0.136 121.416 121.223 0.095 0.000 2.027 407 L HA -0.073 4.267 4.340 0.001 0.000 0.206 407 L C 2.686 179.573 176.870 0.029 0.000 1.074 407 L CA 1.762 56.636 54.840 0.058 0.000 0.745 407 L CB -1.242 40.934 42.059 0.195 0.000 0.898 407 L HN 0.467 nan 8.230 nan 0.000 0.433 408 G N -0.829 108.041 108.800 0.117 0.000 2.440 408 G HA2 -0.336 3.625 3.960 0.001 0.000 0.218 408 G HA3 -0.336 3.625 3.960 0.001 0.000 0.218 408 G C 1.828 176.751 174.900 0.038 0.000 1.154 408 G CA 0.931 46.080 45.100 0.083 0.000 0.767 408 G HN 0.494 nan 8.290 nan 0.000 0.552 409 C N 0.888 120.202 119.300 0.023 0.000 2.446 409 C HA 0.258 4.719 4.460 0.001 0.000 0.277 409 C C 3.425 178.381 174.990 -0.057 0.000 1.275 409 C CA 1.473 60.518 59.018 0.046 0.000 1.727 409 C CB -1.098 26.750 27.740 0.181 0.000 2.010 409 C HN 0.553 nan 8.230 nan 0.000 0.486 410 A N -0.730 121.848 122.820 -0.403 0.000 1.908 410 A HA -0.200 4.121 4.320 0.001 0.000 0.218 410 A C 2.055 179.392 177.584 -0.412 0.000 1.181 410 A CA 1.984 53.415 52.037 -1.010 0.000 0.627 410 A CB -1.313 16.851 19.000 -1.393 0.000 0.818 410 A HN 0.838 nan 8.150 nan 0.000 0.445 411 Y N 0.273 120.384 120.300 -0.315 0.000 2.128 411 Y HA -0.331 4.219 4.550 0.001 0.000 0.284 411 Y C 2.570 178.426 175.900 -0.074 0.000 1.154 411 Y CA 1.764 59.754 58.100 -0.184 0.000 1.149 411 Y CB -0.881 37.470 38.460 -0.182 0.000 0.976 411 Y HN 0.380 nan 8.280 nan 0.000 0.505 412 C N -0.974 118.239 119.300 -0.145 0.000 2.453 412 C HA -0.138 4.322 4.460 0.001 0.000 0.277 412 C C 2.827 177.708 174.990 -0.183 0.000 1.262 412 C CA 1.098 60.040 59.018 -0.128 0.000 1.718 412 C CB -1.226 26.549 27.740 0.058 0.000 2.031 412 C HN 0.514 nan 8.230 nan 0.000 0.480 413 V N 1.321 121.135 119.914 -0.167 0.000 2.358 413 V HA -0.085 4.036 4.120 0.001 0.000 0.246 413 V C 2.671 178.497 176.094 -0.447 0.000 1.047 413 V CA 2.388 64.530 62.300 -0.264 0.000 1.035 413 V CB -1.491 30.252 31.823 -0.133 0.000 0.658 413 V HN 0.661 nan 8.190 nan 0.000 0.452 414 G N -0.746 107.848 108.800 -0.342 0.000 2.432 414 G HA2 -0.217 3.744 3.960 0.001 0.000 0.219 414 G HA3 -0.217 3.744 3.960 0.001 0.000 0.219 414 G C 1.662 176.445 174.900 -0.195 0.000 1.135 414 G CA 1.580 46.559 45.100 -0.201 0.000 0.767 414 G HN 0.493 nan 8.290 nan 0.000 0.550 415 T N 0.782 115.133 114.554 -0.338 0.000 2.852 415 T HA 0.113 4.464 4.350 0.001 0.000 0.256 415 T C 2.314 176.925 174.700 -0.149 0.000 1.038 415 T CA 0.368 62.293 62.100 -0.291 0.000 1.141 415 T CB -0.090 68.463 68.868 -0.526 0.000 0.869 415 T HN 0.125 nan 8.240 nan 0.000 0.439 416 L N 0.346 121.485 121.223 -0.140 0.000 2.395 416 L HA 0.177 4.518 4.340 0.001 0.000 0.218 416 L C 0.389 177.231 176.870 -0.047 0.000 1.130 416 L CA 0.323 55.125 54.840 -0.063 0.000 0.826 416 L CB -0.390 41.657 42.059 -0.021 0.000 0.941 416 L HN 0.232 nan 8.230 nan 0.000 0.451 417 K N 0.255 120.603 120.400 -0.086 0.000 4.007 417 K HA -0.152 4.168 4.320 0.001 0.000 0.279 417 K C -2.189 174.466 176.600 0.092 0.000 0.919 417 K CA -0.297 56.016 56.287 0.044 0.000 0.800 417 K CB -1.372 31.214 32.500 0.144 0.000 1.572 417 K HN 0.249 nan 8.250 nan 0.000 0.443 418 P HA 0.013 nan 4.420 nan 0.000 0.270 418 P C -0.212 177.194 177.300 0.177 0.000 1.223 418 P CA 0.201 63.341 63.100 0.067 0.000 0.785 418 P CB 0.713 32.419 31.700 0.010 0.000 0.923 419 E N 0.534 120.797 120.200 0.105 0.000 2.232 419 E HA 0.211 4.561 4.350 0.001 0.000 0.265 419 E C 0.241 176.884 176.600 0.072 0.000 1.001 419 E CA -0.700 55.755 56.400 0.091 0.000 0.870 419 E CB 0.366 30.096 29.700 0.049 0.000 1.175 419 E HN 0.350 nan 8.360 nan 0.000 0.407 420 N N -1.120 117.609 118.700 0.050 0.000 2.753 420 N HA -0.166 4.575 4.740 0.001 0.000 0.251 420 N C -0.742 174.789 175.510 0.036 0.000 1.097 420 N CA 1.220 54.287 53.050 0.028 0.000 0.786 420 N CB -1.861 36.636 38.487 0.016 0.000 1.137 420 N HN 0.282 nan 8.380 nan 0.000 0.566 421 V N -2.789 117.170 119.914 0.074 0.000 2.823 421 V HA 0.713 4.833 4.120 0.001 0.000 0.312 421 V C 0.076 176.223 176.094 0.089 0.000 1.072 421 V CA -0.943 61.407 62.300 0.083 0.000 0.937 421 V CB 2.948 34.830 31.823 0.098 0.000 1.013 421 V HN 0.151 nan 8.190 nan 0.000 0.430 422 E N 2.770 122.998 120.200 0.047 0.000 2.165 422 E HA 0.694 5.044 4.350 0.001 0.000 0.266 422 E C -1.624 174.958 176.600 -0.030 0.000 0.889 422 E CA -0.773 55.622 56.400 -0.009 0.000 0.756 422 E CB 1.805 31.491 29.700 -0.024 0.000 1.131 422 E HN 0.800 nan 8.360 nan 0.000 0.411 423 I N 4.168 124.693 120.570 -0.075 0.000 2.433 423 I HA 0.267 4.437 4.170 0.001 0.000 0.292 423 I C -0.371 175.453 176.117 -0.489 0.000 1.001 423 I CA -0.723 60.427 61.300 -0.250 0.000 1.119 423 I CB 1.528 39.334 38.000 -0.324 0.000 1.289 423 I HN 0.459 nan 8.210 nan 0.000 0.438 424 H N 6.193 125.136 119.070 -0.212 0.000 2.476 424 H HA 0.395 4.952 4.556 0.001 0.000 0.328 424 H C -1.216 173.962 175.328 -0.251 0.000 1.073 424 H CA -0.434 55.584 56.048 -0.051 0.000 1.229 424 H CB 1.297 31.117 29.762 0.098 0.000 1.432 424 H HN 0.332 nan 8.280 nan 0.000 0.477 425 F N 3.743 123.877 119.950 0.308 0.000 2.388 425 F HA 0.338 4.865 4.527 0.001 0.000 0.358 425 F C 0.060 175.958 175.800 0.163 0.000 1.122 425 F CA -0.567 57.555 58.000 0.203 0.000 1.056 425 F CB 0.936 40.043 39.000 0.178 0.000 1.155 425 F HN 0.169 nan 8.300 nan 0.000 0.461 426 L N 2.637 123.971 121.223 0.184 0.000 2.365 426 L HA 0.726 5.066 4.340 0.001 0.000 0.273 426 L C -0.275 176.469 176.870 -0.211 0.000 1.000 426 L CA -0.718 54.113 54.840 -0.015 0.000 0.819 426 L CB 2.235 44.309 42.059 0.026 0.000 1.284 426 L HN 0.540 nan 8.230 nan 0.000 0.418 427 S N 1.494 116.870 115.700 -0.540 0.000 2.603 427 S HA 0.687 5.158 4.470 0.001 0.000 0.274 427 S C -0.828 173.151 174.600 -1.035 0.000 1.168 427 S CA -0.450 57.402 58.200 -0.580 0.000 0.963 427 S CB 1.672 64.715 63.200 -0.262 0.000 1.078 427 S HN 0.693 nan 8.310 nan 0.000 0.477 428 A N 4.643 126.836 122.820 -1.046 0.000 2.527 428 A HA 0.594 4.914 4.320 0.001 0.000 0.313 428 A C -0.191 177.081 177.584 -0.520 0.000 1.410 428 A CA -0.360 50.955 52.037 -1.202 0.000 1.060 428 A CB -0.293 17.805 19.000 -1.502 0.000 1.137 428 A HN 0.775 nan 8.150 nan 0.000 0.542 429 V N 2.550 122.398 119.914 -0.111 0.000 2.465 429 V HA 0.534 4.655 4.120 0.001 0.000 0.279 429 V C 0.513 176.758 176.094 0.253 0.000 1.045 429 V CA -0.152 62.180 62.300 0.054 0.000 0.938 429 V CB 0.138 31.969 31.823 0.013 0.000 0.986 429 V HN 1.248 nan 8.190 nan 0.000 0.467 430 C N 2.227 121.634 119.300 0.178 0.000 3.249 430 C HA 0.765 5.225 4.460 0.001 0.000 0.350 430 C C -0.992 174.065 174.990 0.111 0.000 1.431 430 C CA -0.892 58.219 59.018 0.154 0.000 1.209 430 C CB 1.610 29.444 27.740 0.158 0.000 1.546 430 C HN 0.891 nan 8.230 nan 0.000 0.450 431 E N 0.869 121.142 120.200 0.123 0.000 2.234 431 E HA 0.418 4.768 4.350 0.001 0.000 0.266 431 E C -1.447 175.227 176.600 0.123 0.000 0.877 431 E CA -0.286 56.205 56.400 0.151 0.000 0.758 431 E CB 1.444 31.288 29.700 0.240 0.000 1.170 431 E HN 0.640 nan 8.360 nan 0.000 0.415 432 N N 5.163 123.925 118.700 0.103 0.000 2.558 432 N HA 0.196 4.937 4.740 0.001 0.000 0.233 432 N C -1.023 174.556 175.510 0.115 0.000 1.038 432 N CA -0.023 53.080 53.050 0.087 0.000 0.934 432 N CB 0.304 38.820 38.487 0.048 0.000 1.175 432 N HN 0.433 nan 8.380 nan 0.000 0.512 433 M N 1.280 120.951 119.600 0.118 0.000 2.796 433 M HA 0.481 4.961 4.480 0.001 0.000 0.303 433 M C -0.605 175.700 176.300 0.009 0.000 1.240 433 M CA -1.068 54.291 55.300 0.099 0.000 0.831 433 M CB 1.500 34.160 32.600 0.100 0.000 1.750 433 M HN -0.081 nan 8.290 nan 0.000 0.484 434 V N 0.649 120.522 119.914 -0.069 0.000 2.357 434 V HA 0.682 4.802 4.120 0.001 0.000 0.284 434 V C -0.207 175.787 176.094 -0.166 0.000 1.018 434 V CA -0.227 61.913 62.300 -0.266 0.000 0.841 434 V CB 1.323 32.929 31.823 -0.361 0.000 0.991 434 V HN 0.945 nan 8.190 nan 0.000 0.437 435 S N 3.284 118.920 115.700 -0.107 0.000 2.588 435 S HA 0.370 4.840 4.470 0.001 0.000 0.269 435 S C 0.667 175.357 174.600 0.150 0.000 1.157 435 S CA -0.291 57.921 58.200 0.021 0.000 0.824 435 S CB 1.815 65.032 63.200 0.029 0.000 1.126 435 S HN 0.839 nan 8.310 nan 0.000 0.464 436 K N 1.466 121.938 120.400 0.121 0.000 2.280 436 K HA 0.006 4.326 4.320 0.001 0.000 0.202 436 K C 0.807 177.480 176.600 0.122 0.000 1.047 436 K CA 1.947 58.313 56.287 0.132 0.000 0.942 436 K CB -0.545 31.998 32.500 0.071 0.000 0.739 436 K HN 0.530 nan 8.250 nan 0.000 0.457 437 N N 0.434 119.199 118.700 0.108 0.000 2.280 437 N HA 0.053 4.793 4.740 0.001 0.000 0.192 437 N C -0.561 175.031 175.510 0.137 0.000 1.109 437 N CA -0.335 52.770 53.050 0.091 0.000 0.855 437 N CB 0.591 39.107 38.487 0.049 0.000 0.974 437 N HN 0.047 nan 8.380 nan 0.000 0.482 438 S N 0.800 116.633 115.700 0.221 0.000 2.589 438 S HA 0.020 4.490 4.470 0.001 0.000 0.265 438 S C -0.203 174.609 174.600 0.354 0.000 1.342 438 S CA -0.518 57.865 58.200 0.306 0.000 1.005 438 S CB 0.167 63.588 63.200 0.368 0.000 0.909 438 S HN 0.287 nan 8.310 nan 0.000 0.555 439 Y N 0.476 120.845 120.300 0.116 0.000 2.301 439 Y HA 0.662 5.212 4.550 0.001 0.000 0.328 439 Y C 0.054 176.016 175.900 0.104 0.000 1.242 439 Y CA -1.456 56.691 58.100 0.078 0.000 1.323 439 Y CB 0.137 38.627 38.460 0.051 0.000 1.266 439 Y HN 0.430 nan 8.280 nan 0.000 0.527 440 R N 2.423 122.860 120.500 -0.105 0.000 2.668 440 R HA 0.488 4.828 4.340 0.001 0.000 0.279 440 R C -2.647 173.476 176.300 -0.295 0.000 0.976 440 R CA -2.243 53.714 56.100 -0.238 0.000 0.978 440 R CB 0.655 30.810 30.300 -0.241 0.000 1.133 440 R HN 0.477 nan 8.270 nan 0.000 0.484 441 P HA -0.016 nan 4.420 nan 0.000 0.264 441 P C 0.466 177.689 177.300 -0.129 0.000 1.193 441 P CA 0.851 63.841 63.100 -0.183 0.000 0.763 441 P CB 0.724 32.350 31.700 -0.123 0.000 0.810 442 G N 2.512 111.259 108.800 -0.089 0.000 2.284 442 G HA2 -0.183 3.777 3.960 0.001 0.000 0.216 442 G HA3 -0.183 3.777 3.960 0.001 0.000 0.216 442 G C -0.098 174.783 174.900 -0.032 0.000 1.009 442 G CA -0.343 44.725 45.100 -0.053 0.000 0.625 442 G HN 0.499 nan 8.290 nan 0.000 0.501 443 D N 0.886 121.266 120.400 -0.035 0.000 2.525 443 D HA 0.333 4.974 4.640 0.001 0.000 0.235 443 D C 0.724 177.058 176.300 0.057 0.000 1.137 443 D CA 0.614 54.624 54.000 0.017 0.000 0.868 443 D CB 0.587 41.424 40.800 0.062 0.000 1.180 443 D HN 0.410 nan 8.370 nan 0.000 0.465 444 I N 3.642 124.248 120.570 0.060 0.000 2.339 444 I HA 0.305 4.476 4.170 0.001 0.000 0.290 444 I C 0.351 176.526 176.117 0.097 0.000 0.994 444 I CA -0.652 60.700 61.300 0.086 0.000 1.191 444 I CB 0.702 38.748 38.000 0.077 0.000 1.343 444 I HN 0.209 nan 8.210 nan 0.000 0.458 445 I N 1.980 122.624 120.570 0.123 0.000 2.846 445 I HA 0.646 4.817 4.170 0.001 0.000 0.307 445 I C -0.779 175.411 176.117 0.122 0.000 1.053 445 I CA -0.497 60.873 61.300 0.117 0.000 1.050 445 I CB 2.439 40.518 38.000 0.131 0.000 1.239 445 I HN 0.277 nan 8.210 nan 0.000 0.439 446 T N 3.376 117.991 114.554 0.102 0.000 2.791 446 T HA 0.662 5.013 4.350 0.001 0.000 0.288 446 T C 0.188 174.956 174.700 0.113 0.000 0.999 446 T CA -0.425 61.739 62.100 0.107 0.000 0.952 446 T CB 1.338 70.254 68.868 0.080 0.000 0.938 446 T HN 0.842 nan 8.240 nan 0.000 0.444 447 A N 2.323 125.235 122.820 0.154 0.000 2.346 447 A HA 0.471 4.792 4.320 0.001 0.000 0.252 447 A C 1.701 179.364 177.584 0.132 0.000 1.089 447 A CA -0.186 51.942 52.037 0.151 0.000 0.797 447 A CB 0.014 19.171 19.000 0.261 0.000 1.047 447 A HN 0.959 nan 8.150 nan 0.000 0.494 448 S N 0.368 116.137 115.700 0.116 0.000 2.469 448 S HA -0.167 4.303 4.470 0.001 0.000 0.238 448 S C 0.953 175.605 174.600 0.087 0.000 0.998 448 S CA 1.214 59.470 58.200 0.093 0.000 0.957 448 S CB -0.528 62.726 63.200 0.089 0.000 0.764 448 S HN 0.904 nan 8.310 nan 0.000 0.514 449 N N 0.943 119.715 118.700 0.120 0.000 2.268 449 N HA 0.241 4.982 4.740 0.001 0.000 0.204 449 N C 1.178 176.717 175.510 0.048 0.000 1.124 449 N CA 0.528 53.623 53.050 0.075 0.000 0.838 449 N CB -0.317 38.215 38.487 0.076 0.000 0.994 449 N HN 0.540 nan 8.380 nan 0.000 0.489 450 G N 0.142 108.983 108.800 0.069 0.000 2.199 450 G HA2 -0.319 3.641 3.960 0.001 0.000 0.254 450 G HA3 -0.319 3.641 3.960 0.001 0.000 0.254 450 G C -0.176 174.755 174.900 0.052 0.000 0.982 450 G CA 0.146 45.275 45.100 0.049 0.000 0.632 450 G HN 0.463 nan 8.290 nan 0.000 0.529 451 K N 2.334 122.774 120.400 0.067 0.000 2.416 451 K HA 0.394 4.714 4.320 0.001 0.000 0.283 451 K C 0.936 177.613 176.600 0.129 0.000 1.037 451 K CA 0.664 56.986 56.287 0.058 0.000 0.995 451 K CB 0.483 32.970 32.500 -0.022 0.000 0.938 451 K HN 0.419 nan 8.250 nan 0.000 0.475 452 T N 0.802 115.417 114.554 0.101 0.000 2.869 452 T HA 0.481 4.831 4.350 0.001 0.000 0.295 452 T C 0.220 175.020 174.700 0.166 0.000 0.987 452 T CA -0.701 61.474 62.100 0.125 0.000 1.109 452 T CB 0.411 69.337 68.868 0.097 0.000 0.932 452 T HN 0.339 nan 8.240 nan 0.000 0.518 453 I N 1.923 122.612 120.570 0.199 0.000 2.466 453 I HA 0.354 4.524 4.170 0.001 0.000 0.289 453 I C 0.056 176.288 176.117 0.191 0.000 1.026 453 I CA -0.859 60.594 61.300 0.254 0.000 1.078 453 I CB 2.174 40.387 38.000 0.355 0.000 1.249 453 I HN 0.748 nan 8.210 nan 0.000 0.429 454 E N 5.870 126.174 120.200 0.173 0.000 2.167 454 E HA 0.349 4.700 4.350 0.001 0.000 0.284 454 E C -1.191 175.468 176.600 0.098 0.000 1.016 454 E CA -0.628 55.847 56.400 0.126 0.000 0.817 454 E CB 1.347 31.122 29.700 0.125 0.000 1.080 454 E HN 0.382 nan 8.360 nan 0.000 0.397 455 V N 5.399 125.354 119.914 0.068 0.000 2.405 455 V HA 0.162 4.282 4.120 0.001 0.000 0.264 455 V C 1.160 177.238 176.094 -0.027 0.000 1.048 455 V CA 0.569 62.881 62.300 0.021 0.000 0.966 455 V CB 1.009 32.833 31.823 0.003 0.000 1.015 455 V HN 0.954 nan 8.190 nan 0.000 0.477 456 G N 3.894 112.676 108.800 -0.030 0.000 2.603 456 G HA2 -0.000 3.960 3.960 0.001 0.000 0.214 456 G HA3 -0.000 3.960 3.960 0.001 0.000 0.214 456 G C 0.579 175.443 174.900 -0.060 0.000 1.140 456 G CA 0.110 45.189 45.100 -0.036 0.000 0.800 456 G HN 0.592 nan 8.290 nan 0.000 0.533 457 N N -0.292 118.361 118.700 -0.079 0.000 2.578 457 N HA 0.037 4.778 4.740 0.001 0.000 0.282 457 N C 1.037 176.488 175.510 -0.098 0.000 1.119 457 N CA 0.340 53.341 53.050 -0.082 0.000 0.948 457 N CB 1.287 39.741 38.487 -0.055 0.000 1.546 457 N HN -0.021 nan 8.380 nan 0.000 0.525 458 T N -0.810 113.648 114.554 -0.160 0.000 3.007 458 T HA -0.089 4.262 4.350 0.001 0.000 0.270 458 T C 0.990 175.719 174.700 0.048 0.000 1.107 458 T CA 1.034 63.020 62.100 -0.191 0.000 1.118 458 T CB 0.091 68.754 68.868 -0.342 0.000 0.889 458 T HN 0.339 nan 8.240 nan 0.000 0.506 459 D N 1.637 122.038 120.400 0.002 0.000 2.355 459 D HA 0.226 4.866 4.640 0.001 0.000 0.218 459 D C 1.279 177.581 176.300 0.003 0.000 1.004 459 D CA 0.234 54.239 54.000 0.008 0.000 0.880 459 D CB -0.302 40.491 40.800 -0.012 0.000 0.911 459 D HN 0.551 nan 8.370 nan 0.000 0.528 460 A N 1.076 123.891 122.820 -0.008 0.000 3.197 460 A HA 0.107 4.427 4.320 0.001 0.000 0.263 460 A C 1.509 179.075 177.584 -0.030 0.000 1.524 460 A CA -0.267 51.745 52.037 -0.043 0.000 1.176 460 A CB -0.342 18.601 19.000 -0.096 0.000 1.096 460 A HN 0.178 nan 8.150 nan 0.000 0.655 461 E N 0.243 120.458 120.200 0.026 0.000 2.170 461 E HA -0.061 4.290 4.350 0.001 0.000 0.191 461 E C 1.621 178.216 176.600 -0.009 0.000 0.981 461 E CA 1.268 57.700 56.400 0.054 0.000 0.830 461 E CB -0.993 28.762 29.700 0.090 0.000 0.775 461 E HN 0.362 nan 8.360 nan 0.000 0.470 462 G N 2.997 111.784 108.800 -0.023 0.000 2.529 462 G HA2 -0.393 3.568 3.960 0.001 0.000 0.219 462 G HA3 -0.393 3.568 3.960 0.001 0.000 0.219 462 G C 1.887 176.768 174.900 -0.031 0.000 1.177 462 G CA 1.917 47.002 45.100 -0.026 0.000 0.773 462 G HN 0.495 nan 8.290 nan 0.000 0.573 463 R N 0.360 120.824 120.500 -0.060 0.000 2.152 463 R HA 0.126 4.467 4.340 0.001 0.000 0.232 463 R C 2.344 178.636 176.300 -0.012 0.000 1.117 463 R CA 1.142 57.215 56.100 -0.045 0.000 0.981 463 R CB -0.572 29.619 30.300 -0.181 0.000 0.870 463 R HN 0.418 nan 8.270 nan 0.000 0.451 464 L N 1.638 122.817 121.223 -0.073 0.000 2.044 464 L HA -0.104 4.237 4.340 0.001 0.000 0.205 464 L C 2.889 179.750 176.870 -0.016 0.000 1.075 464 L CA 1.889 56.717 54.840 -0.020 0.000 0.747 464 L CB -0.904 41.152 42.059 -0.006 0.000 0.903 464 L HN 0.426 nan 8.230 nan 0.000 0.435 465 T N -1.643 112.907 114.554 -0.007 0.000 2.821 465 T HA -0.148 4.203 4.350 0.001 0.000 0.267 465 T C 1.875 176.506 174.700 -0.115 0.000 1.046 465 T CA 0.994 63.079 62.100 -0.025 0.000 1.139 465 T CB -0.548 68.299 68.868 -0.036 0.000 0.871 465 T HN 0.195 nan 8.240 nan 0.000 0.454 466 L N 1.035 122.210 121.223 -0.079 0.000 2.093 466 L HA 0.095 4.435 4.340 0.001 0.000 0.208 466 L C 3.349 180.157 176.870 -0.103 0.000 1.085 466 L CA 0.943 55.746 54.840 -0.061 0.000 0.755 466 L CB -0.840 41.225 42.059 0.011 0.000 0.904 466 L HN 0.387 nan 8.230 nan 0.000 0.435 467 A N 0.225 122.916 122.820 -0.215 0.000 1.873 467 A HA -0.293 4.027 4.320 0.001 0.000 0.218 467 A C 2.006 179.395 177.584 -0.326 0.000 1.193 467 A CA 2.344 54.019 52.037 -0.603 0.000 0.629 467 A CB -0.672 17.598 19.000 -1.216 0.000 0.826 467 A HN 0.367 nan 8.150 nan 0.000 0.447 468 D N -0.425 119.879 120.400 -0.160 0.000 2.178 468 D HA 0.004 4.644 4.640 0.001 0.000 0.202 468 D C 2.208 178.568 176.300 0.099 0.000 0.974 468 D CA 1.336 55.342 54.000 0.011 0.000 0.841 468 D CB -0.337 40.528 40.800 0.109 0.000 0.953 468 D HN 0.441 nan 8.370 nan 0.000 0.478 469 A N 0.553 123.424 122.820 0.085 0.000 1.930 469 A HA -0.090 4.231 4.320 0.001 0.000 0.217 469 A C 2.371 180.072 177.584 0.195 0.000 1.175 469 A CA 0.737 52.901 52.037 0.211 0.000 0.627 469 A CB -0.580 18.429 19.000 0.015 0.000 0.815 469 A HN 0.188 nan 8.150 nan 0.000 0.443 470 L N -0.682 120.592 121.223 0.085 0.000 2.072 470 L HA -0.127 4.214 4.340 0.001 0.000 0.205 470 L C 2.520 179.436 176.870 0.076 0.000 1.079 470 L CA 0.901 55.778 54.840 0.062 0.000 0.752 470 L CB -0.576 41.457 42.059 -0.043 0.000 0.906 470 L HN 0.229 nan 8.230 nan 0.000 0.436 471 V N -0.715 119.255 119.914 0.094 0.000 2.287 471 V HA -0.366 3.754 4.120 0.001 0.000 0.248 471 V C 2.245 178.384 176.094 0.076 0.000 1.053 471 V CA 2.098 64.451 62.300 0.089 0.000 1.027 471 V CB -0.734 31.160 31.823 0.119 0.000 0.646 471 V HN 0.397 nan 8.190 nan 0.000 0.447 472 Y N 1.187 121.478 120.300 -0.016 0.000 2.128 472 Y HA -0.256 4.294 4.550 0.001 0.000 0.284 472 Y C 2.424 178.292 175.900 -0.053 0.000 1.154 472 Y CA 1.864 59.925 58.100 -0.064 0.000 1.149 472 Y CB -0.520 37.862 38.460 -0.130 0.000 0.976 472 Y HN 0.156 nan 8.280 nan 0.000 0.505 473 A N -0.005 122.919 122.820 0.174 0.000 1.908 473 A HA -0.272 4.048 4.320 0.001 0.000 0.218 473 A C 2.184 179.747 177.584 -0.035 0.000 1.181 473 A CA 1.992 54.073 52.037 0.074 0.000 0.627 473 A CB -0.943 18.141 19.000 0.140 0.000 0.818 473 A HN 0.655 nan 8.150 nan 0.000 0.445 474 E N -0.181 120.011 120.200 -0.013 0.000 2.150 474 E HA -0.168 4.183 4.350 0.001 0.000 0.193 474 E C 1.811 178.361 176.600 -0.083 0.000 0.985 474 E CA 1.186 57.568 56.400 -0.031 0.000 0.814 474 E CB -0.092 29.599 29.700 -0.016 0.000 0.752 474 E HN 0.601 nan 8.360 nan 0.000 0.466 475 K N 0.091 120.412 120.400 -0.133 0.000 2.360 475 K HA -0.066 4.254 4.320 0.001 0.000 0.201 475 K C 1.858 178.329 176.600 -0.214 0.000 1.046 475 K CA 0.558 56.740 56.287 -0.175 0.000 0.945 475 K CB 0.050 32.415 32.500 -0.226 0.000 0.750 475 K HN 0.261 nan 8.250 nan 0.000 0.464 476 L N -0.184 120.886 121.223 -0.254 0.000 2.376 476 L HA 0.002 4.342 4.340 0.001 0.000 0.219 476 L C 0.929 177.712 176.870 -0.145 0.000 1.133 476 L CA 0.530 55.212 54.840 -0.263 0.000 0.816 476 L CB -0.520 41.291 42.059 -0.413 0.000 0.933 476 L HN 0.363 nan 8.230 nan 0.000 0.449 477 G N 1.418 110.159 108.800 -0.099 0.000 2.368 477 G HA2 -0.190 3.771 3.960 0.001 0.000 0.290 477 G HA3 -0.190 3.771 3.960 0.001 0.000 0.290 477 G C -0.005 174.877 174.900 -0.031 0.000 1.098 477 G CA 0.223 45.290 45.100 -0.055 0.000 1.073 477 G HN 0.239 nan 8.290 nan 0.000 0.511 478 V N -3.026 116.877 119.914 -0.019 0.000 3.096 478 V HA 0.752 4.872 4.120 0.001 0.000 0.319 478 V C 1.018 177.088 176.094 -0.041 0.000 1.082 478 V CA 0.035 62.341 62.300 0.009 0.000 1.022 478 V CB 1.744 33.609 31.823 0.069 0.000 1.103 478 V HN 0.082 nan 8.190 nan 0.000 0.455 479 D N -0.559 119.767 120.400 -0.123 0.000 2.183 479 D HA 0.098 4.738 4.640 0.001 0.000 0.205 479 D C -0.377 175.681 176.300 -0.404 0.000 0.962 479 D CA 1.779 55.565 54.000 -0.356 0.000 0.849 479 D CB 0.154 40.593 40.800 -0.601 0.000 0.978 479 D HN 0.639 nan 8.370 nan 0.000 0.488 480 Y N -0.210 120.173 120.300 0.139 0.000 2.442 480 Y HA 0.468 5.019 4.550 0.001 0.000 0.344 480 Y C -0.078 175.933 175.900 0.184 0.000 0.976 480 Y CA -0.985 57.223 58.100 0.180 0.000 1.040 480 Y CB 1.698 40.321 38.460 0.271 0.000 1.228 480 Y HN -0.298 nan 8.280 nan 0.000 0.451 481 I N 3.830 124.628 120.570 0.379 0.000 2.389 481 I HA 0.525 4.696 4.170 0.001 0.000 0.288 481 I C -1.015 175.276 176.117 0.289 0.000 0.999 481 I CA -0.969 60.535 61.300 0.339 0.000 1.129 481 I CB 1.407 39.636 38.000 0.382 0.000 1.288 481 I HN 0.227 nan 8.210 nan 0.000 0.444 482 V N 4.914 124.930 119.914 0.170 0.000 2.444 482 V HA 0.294 4.415 4.120 0.001 0.000 0.294 482 V C -0.593 175.567 176.094 0.109 0.000 1.022 482 V CA -0.612 61.696 62.300 0.013 0.000 0.850 482 V CB 1.799 33.491 31.823 -0.218 0.000 0.992 482 V HN 0.852 nan 8.190 nan 0.000 0.426 483 D N 3.964 124.468 120.400 0.174 0.000 2.228 483 D HA 0.709 5.350 4.640 0.001 0.000 0.247 483 D C -0.590 175.797 176.300 0.145 0.000 0.995 483 D CA -0.618 53.515 54.000 0.223 0.000 0.903 483 D CB 2.546 43.576 40.800 0.383 0.000 1.205 483 D HN 0.521 nan 8.370 nan 0.000 0.459 484 I N 0.463 121.104 120.570 0.117 0.000 2.571 484 I HA 0.696 4.866 4.170 0.001 0.000 0.289 484 I C -1.866 174.289 176.117 0.064 0.000 1.115 484 I CA -0.505 60.832 61.300 0.061 0.000 1.045 484 I CB 1.362 39.392 38.000 0.050 0.000 1.238 484 I HN 0.791 nan 8.210 nan 0.000 0.424 485 A N 3.472 126.321 122.820 0.049 0.000 2.547 485 A HA 0.575 4.895 4.320 0.001 0.000 0.297 485 A C -0.434 177.144 177.584 -0.010 0.000 1.056 485 A CA -0.427 51.635 52.037 0.040 0.000 0.688 485 A CB 1.340 20.427 19.000 0.145 0.000 1.282 485 A HN 0.688 nan 8.150 nan 0.000 0.400 486 T N 1.238 115.723 114.554 -0.114 0.000 3.781 486 T HA 0.308 4.658 4.350 0.001 0.000 0.286 486 T C 0.705 175.374 174.700 -0.051 0.000 1.277 486 T CA -0.020 61.979 62.100 -0.168 0.000 1.136 486 T CB -0.294 68.233 68.868 -0.568 0.000 1.202 486 T HN 0.569 nan 8.240 nan 0.000 0.884 487 L N 2.859 124.117 121.223 0.059 0.000 2.221 487 L HA 0.310 4.650 4.340 0.001 0.000 0.202 487 L C 1.083 178.008 176.870 0.092 0.000 1.074 487 L CA 1.111 56.010 54.840 0.099 0.000 0.795 487 L CB 0.149 42.343 42.059 0.225 0.000 0.960 487 L HN 0.831 nan 8.230 nan 0.000 0.458 488 T N -4.446 110.183 114.554 0.125 0.000 2.928 488 T HA 0.491 4.841 4.350 0.001 0.000 0.296 488 T C 0.904 175.697 174.700 0.154 0.000 1.000 488 T CA -0.312 61.863 62.100 0.125 0.000 0.989 488 T CB 1.292 70.236 68.868 0.126 0.000 1.005 488 T HN 0.113 nan 8.240 nan 0.000 0.442 489 G N 1.501 110.393 108.800 0.152 0.000 2.462 489 G HA2 -0.004 3.957 3.960 0.001 0.000 0.220 489 G HA3 -0.004 3.957 3.960 0.001 0.000 0.220 489 G C 1.606 176.647 174.900 0.235 0.000 1.121 489 G CA 0.625 45.832 45.100 0.179 0.000 0.758 489 G HN 1.176 nan 8.290 nan 0.000 0.559 490 A N 0.557 123.516 122.820 0.231 0.000 2.084 490 A HA -0.046 4.274 4.320 0.001 0.000 0.221 490 A C 2.348 180.096 177.584 0.274 0.000 1.161 490 A CA 1.719 53.929 52.037 0.289 0.000 0.653 490 A CB -0.309 18.794 19.000 0.172 0.000 0.802 490 A HN 0.314 nan 8.150 nan 0.000 0.457 491 M N -0.536 119.188 119.600 0.207 0.000 2.149 491 M HA -0.089 4.392 4.480 0.001 0.000 0.261 491 M C 2.022 178.378 176.300 0.094 0.000 1.064 491 M CA 1.155 56.554 55.300 0.166 0.000 1.102 491 M CB -1.354 31.340 32.600 0.157 0.000 1.369 491 M HN 0.443 nan 8.290 nan 0.000 0.408 492 L N -1.696 119.547 121.223 0.033 0.000 2.127 492 L HA -0.245 4.095 4.340 0.001 0.000 0.211 492 L C 2.094 178.808 176.870 -0.260 0.000 1.089 492 L CA 1.366 56.111 54.840 -0.158 0.000 0.757 492 L CB -0.664 41.197 42.059 -0.330 0.000 0.899 492 L HN 0.247 nan 8.230 nan 0.000 0.434 493 Y N -1.208 119.101 120.300 0.015 0.000 2.490 493 Y HA -0.086 4.465 4.550 0.001 0.000 0.285 493 Y C 2.782 178.683 175.900 0.002 0.000 1.117 493 Y CA 0.758 58.859 58.100 0.001 0.000 1.262 493 Y CB -0.009 38.454 38.460 0.004 0.000 1.043 493 Y HN 0.223 nan 8.280 nan 0.000 0.553 494 S N -0.516 115.274 115.700 0.149 0.000 2.357 494 S HA 0.022 4.492 4.470 0.001 0.000 0.209 494 S C 1.586 176.188 174.600 0.005 0.000 1.023 494 S CA 0.575 58.829 58.200 0.090 0.000 0.933 494 S CB -0.646 62.635 63.200 0.135 0.000 0.897 494 S HN 0.333 nan 8.310 nan 0.000 0.529 495 L N 1.051 122.282 121.223 0.013 0.000 2.515 495 L HA 0.404 4.744 4.340 0.001 0.000 0.223 495 L C 1.567 178.415 176.870 -0.038 0.000 1.079 495 L CA 0.368 55.183 54.840 -0.041 0.000 0.857 495 L CB -0.423 41.657 42.059 0.034 0.000 1.050 495 L HN 0.758 nan 8.230 nan 0.000 0.476 496 G N 0.906 109.696 108.800 -0.017 0.000 2.484 496 G HA2 -0.321 3.640 3.960 0.001 0.000 0.225 496 G HA3 -0.321 3.640 3.960 0.001 0.000 0.225 496 G C 0.524 175.446 174.900 0.036 0.000 1.250 496 G CA 0.122 45.207 45.100 -0.026 0.000 0.926 496 G HN 0.179 nan 8.290 nan 0.000 0.581 497 T N -2.946 111.647 114.554 0.066 0.000 3.086 497 T HA 0.507 4.857 4.350 0.001 0.000 0.250 497 T C 1.970 176.749 174.700 0.131 0.000 1.074 497 T CA 1.690 63.872 62.100 0.136 0.000 0.988 497 T CB 0.524 69.512 68.868 0.201 0.000 0.988 497 T HN 0.661 nan 8.240 nan 0.000 0.530 498 S N -0.404 115.392 115.700 0.160 0.000 2.506 498 S HA 0.349 4.819 4.470 0.001 0.000 0.230 498 S C -0.313 174.457 174.600 0.283 0.000 1.066 498 S CA -0.284 58.062 58.200 0.244 0.000 0.940 498 S CB 0.024 63.429 63.200 0.341 0.000 0.818 498 S HN 0.616 nan 8.310 nan 0.000 0.518 499 Y N 1.146 121.459 120.300 0.023 0.000 2.352 499 Y HA 0.638 5.189 4.550 0.001 0.000 0.339 499 Y C 0.279 176.169 175.900 -0.018 0.000 0.992 499 Y CA -1.138 56.997 58.100 0.058 0.000 1.100 499 Y CB 1.119 39.625 38.460 0.076 0.000 1.192 499 Y HN 0.150 nan 8.280 nan 0.000 0.458 500 A N 2.267 125.114 122.820 0.046 0.000 2.304 500 A HA 0.634 4.954 4.320 0.001 0.000 0.271 500 A C 0.418 178.059 177.584 0.095 0.000 1.091 500 A CA -0.026 51.982 52.037 -0.047 0.000 0.812 500 A CB 0.130 19.035 19.000 -0.158 0.000 1.056 500 A HN 0.866 nan 8.150 nan 0.000 0.489 501 G N -0.817 108.014 108.800 0.052 0.000 2.377 501 G HA2 0.508 4.468 3.960 0.001 0.000 0.299 501 G HA3 0.508 4.468 3.960 0.001 0.000 0.299 501 G C -0.877 173.946 174.900 -0.129 0.000 1.150 501 G CA -0.225 44.859 45.100 -0.027 0.000 0.847 501 G HN 1.209 nan 8.290 nan 0.000 0.501 502 V N 2.961 122.731 119.914 -0.241 0.000 2.487 502 V HA 0.814 4.934 4.120 0.001 0.000 0.298 502 V C -1.175 174.733 176.094 -0.310 0.000 1.028 502 V CA -0.903 61.269 62.300 -0.213 0.000 0.860 502 V CB 0.912 32.630 31.823 -0.175 0.000 0.991 502 V HN 0.554 nan 8.190 nan 0.000 0.427 503 F N 4.271 124.235 119.950 0.024 0.000 2.598 503 F HA 1.005 5.533 4.527 0.001 0.000 0.327 503 F C 0.734 176.407 175.800 -0.213 0.000 1.057 503 F CA -0.046 58.008 58.000 0.089 0.000 0.957 503 F CB 2.478 41.593 39.000 0.192 0.000 1.278 503 F HN 0.791 nan 8.300 nan 0.000 0.484 504 G N 0.413 109.238 108.800 0.041 0.000 2.356 504 G HA2 0.242 4.202 3.960 0.001 0.000 0.294 504 G HA3 0.242 4.202 3.960 0.001 0.000 0.294 504 G C -1.321 173.635 174.900 0.094 0.000 1.423 504 G CA -0.889 44.045 45.100 -0.277 0.000 0.806 504 G HN 0.642 nan 8.290 nan 0.000 0.527 505 N N -0.394 118.430 118.700 0.206 0.000 2.230 505 N HA 0.100 4.840 4.740 0.001 0.000 0.202 505 N C 0.024 175.643 175.510 0.182 0.000 1.119 505 N CA -0.239 52.988 53.050 0.296 0.000 0.851 505 N CB 0.624 39.369 38.487 0.430 0.000 0.990 505 N HN 0.457 nan 8.380 nan 0.000 0.497 506 N N 0.554 119.310 118.700 0.094 0.000 2.519 506 N HA 0.094 4.835 4.740 0.001 0.000 0.291 506 N C -0.416 175.052 175.510 -0.070 0.000 1.107 506 N CA -0.099 52.981 53.050 0.050 0.000 0.904 506 N CB 1.702 40.245 38.487 0.093 0.000 1.500 506 N HN 0.006 nan 8.380 nan 0.000 0.510 507 E N 0.899 121.060 120.200 -0.066 0.000 2.077 507 E HA -0.166 4.185 4.350 0.001 0.000 0.193 507 E C 0.957 177.417 176.600 -0.233 0.000 0.989 507 E CA 1.456 57.735 56.400 -0.200 0.000 0.800 507 E CB 0.366 30.020 29.700 -0.076 0.000 0.746 507 E HN 0.565 nan 8.360 nan 0.000 0.452 508 E N 0.500 120.635 120.200 -0.108 0.000 2.058 508 E HA -0.199 4.152 4.350 0.001 0.000 0.194 508 E C 1.975 178.486 176.600 -0.148 0.000 0.997 508 E CA 1.050 57.398 56.400 -0.087 0.000 0.801 508 E CB -0.520 29.187 29.700 0.012 0.000 0.746 508 E HN 0.234 nan 8.360 nan 0.000 0.450 509 L N 0.397 121.529 121.223 -0.152 0.000 2.017 509 L HA -0.042 4.298 4.340 0.001 0.000 0.208 509 L C 2.283 178.944 176.870 -0.350 0.000 1.073 509 L CA 1.673 56.350 54.840 -0.272 0.000 0.745 509 L CB -0.628 41.312 42.059 -0.198 0.000 0.894 509 L HN 0.225 nan 8.230 nan 0.000 0.432 510 I N 0.109 120.428 120.570 -0.417 0.000 2.151 510 I HA -0.374 3.796 4.170 0.001 0.000 0.243 510 I C 2.209 178.021 176.117 -0.510 0.000 1.080 510 I CA 1.575 62.525 61.300 -0.583 0.000 1.339 510 I CB -0.575 36.830 38.000 -0.991 0.000 1.039 510 I HN 0.408 nan 8.210 nan 0.000 0.409 511 N N 0.805 119.238 118.700 -0.445 0.000 2.149 511 N HA -0.182 4.558 4.740 0.001 0.000 0.188 511 N C 1.757 177.149 175.510 -0.196 0.000 1.019 511 N CA 1.272 54.139 53.050 -0.305 0.000 0.857 511 N CB -0.210 38.139 38.487 -0.230 0.000 0.997 511 N HN 0.426 nan 8.380 nan 0.000 0.426 512 K N 0.515 120.817 120.400 -0.164 0.000 2.057 512 K HA -0.035 4.285 4.320 0.001 0.000 0.207 512 K C 1.937 178.522 176.600 -0.025 0.000 1.049 512 K CA 0.746 57.006 56.287 -0.044 0.000 0.931 512 K CB -0.014 32.511 32.500 0.043 0.000 0.714 512 K HN 0.090 nan 8.250 nan 0.000 0.440 513 I N 1.614 122.066 120.570 -0.197 0.000 2.208 513 I HA -0.266 3.904 4.170 0.001 0.000 0.245 513 I C 2.292 178.315 176.117 -0.155 0.000 1.097 513 I CA 1.462 62.615 61.300 -0.245 0.000 1.363 513 I CB -1.190 36.592 38.000 -0.365 0.000 1.051 513 I HN 0.193 nan 8.210 nan 0.000 0.413 514 L N 0.119 121.233 121.223 -0.181 0.000 1.989 514 L HA -0.283 4.057 4.340 0.001 0.000 0.211 514 L C 2.717 179.536 176.870 -0.084 0.000 1.071 514 L CA 1.730 56.486 54.840 -0.140 0.000 0.749 514 L CB -0.769 41.182 42.059 -0.180 0.000 0.890 514 L HN 0.266 nan 8.230 nan 0.000 0.431 515 Q N 0.181 119.939 119.800 -0.071 0.000 2.135 515 Q HA -0.187 4.154 4.340 0.001 0.000 0.204 515 Q C 2.140 178.131 176.000 -0.015 0.000 0.981 515 Q CA 2.389 58.170 55.803 -0.036 0.000 0.856 515 Q CB -0.256 28.465 28.738 -0.028 0.000 0.902 515 Q HN 0.345 nan 8.270 nan 0.000 0.425 516 S N -0.500 115.201 115.700 0.001 0.000 2.402 516 S HA -0.115 4.356 4.470 0.001 0.000 0.229 516 S C 1.898 176.485 174.600 -0.022 0.000 1.021 516 S CA 0.853 59.067 58.200 0.024 0.000 0.974 516 S CB -0.478 62.773 63.200 0.085 0.000 0.800 516 S HN 0.522 nan 8.310 nan 0.000 0.484 517 S N 1.547 117.217 115.700 -0.050 0.000 2.359 517 S HA -0.183 4.288 4.470 0.001 0.000 0.224 517 S C 2.109 176.664 174.600 -0.074 0.000 1.035 517 S CA 1.891 60.048 58.200 -0.072 0.000 1.018 517 S CB -0.353 62.812 63.200 -0.058 0.000 0.876 517 S HN 0.472 nan 8.310 nan 0.000 0.448 518 K N 0.466 120.836 120.400 -0.051 0.000 2.057 518 K HA -0.084 4.236 4.320 0.001 0.000 0.207 518 K C 2.386 178.958 176.600 -0.046 0.000 1.049 518 K CA 2.194 58.454 56.287 -0.045 0.000 0.931 518 K CB -1.606 30.880 32.500 -0.024 0.000 0.714 518 K HN 0.873 nan 8.250 nan 0.000 0.440 519 T N -1.829 112.714 114.554 -0.018 0.000 3.014 519 T HA -0.025 4.325 4.350 0.001 0.000 0.263 519 T C 2.083 176.804 174.700 0.035 0.000 1.078 519 T CA 1.307 63.413 62.100 0.011 0.000 1.135 519 T CB -0.363 68.525 68.868 0.033 0.000 0.895 519 T HN 0.502 nan 8.240 nan 0.000 0.480 520 S N 1.519 117.228 115.700 0.015 0.000 2.496 520 S HA 0.070 4.540 4.470 0.001 0.000 0.224 520 S C 1.063 175.631 174.600 -0.052 0.000 0.996 520 S CA 0.147 58.369 58.200 0.037 0.000 0.927 520 S CB -0.648 62.532 63.200 -0.033 0.000 0.774 520 S HN 0.531 nan 8.310 nan 0.000 0.524 521 N N 1.552 120.145 118.700 -0.178 0.000 2.741 521 N HA -0.130 4.610 4.740 0.001 0.000 0.250 521 N C -1.245 174.090 175.510 -0.292 0.000 1.115 521 N CA 0.934 53.758 53.050 -0.377 0.000 0.724 521 N CB -1.320 36.613 38.487 -0.923 0.000 1.090 521 N HN 0.726 nan 8.380 nan 0.000 0.558 522 E N 0.895 120.954 120.200 -0.235 0.000 2.028 522 E HA 0.247 4.597 4.350 0.001 0.000 0.266 522 E C -2.424 174.091 176.600 -0.141 0.000 0.962 522 E CA -1.630 54.585 56.400 -0.309 0.000 0.784 522 E CB 0.873 30.144 29.700 -0.714 0.000 1.114 522 E HN 0.105 nan 8.360 nan 0.000 0.414 523 P HA 0.009 nan 4.420 nan 0.000 0.267 523 P C -0.700 176.513 177.300 -0.145 0.000 1.205 523 P CA 0.003 62.860 63.100 -0.406 0.000 0.765 523 P CB 0.759 31.763 31.700 -1.160 0.000 0.828 524 V N 4.484 124.385 119.914 -0.023 0.000 2.760 524 V HA 0.454 4.574 4.120 0.001 0.000 0.309 524 V C -0.944 175.358 176.094 0.347 0.000 1.077 524 V CA -0.619 61.781 62.300 0.167 0.000 0.910 524 V CB 2.706 34.579 31.823 0.084 0.000 1.008 524 V HN 0.631 nan 8.190 nan 0.000 0.424 525 W N 4.161 125.560 121.300 0.165 0.000 2.702 525 W HA 0.421 5.082 4.660 0.001 0.000 0.331 525 W C -1.363 175.206 176.519 0.083 0.000 1.049 525 W CA -0.845 56.599 57.345 0.164 0.000 1.230 525 W CB 2.047 31.611 29.460 0.173 0.000 1.408 525 W HN 0.750 nan 8.180 nan 0.000 0.492 526 W N 7.616 128.622 121.300 -0.491 0.000 2.356 526 W HA 0.455 5.115 4.660 0.000 0.000 0.311 526 W C -1.351 175.002 176.519 -0.276 0.000 1.328 526 W CA -0.654 56.454 57.345 -0.396 0.000 1.251 526 W CB 0.040 29.253 29.460 -0.412 0.000 1.280 526 W HN 0.163 nan 8.180 nan 0.000 0.524 527 L N 9.244 130.337 121.223 -0.217 0.000 2.333 527 L HA 0.528 4.869 4.340 0.001 0.000 0.269 527 L C -1.775 174.931 176.870 -0.274 0.000 1.010 527 L CA -2.275 52.343 54.840 -0.371 0.000 0.818 527 L CB 2.371 44.070 42.059 -0.600 0.000 1.306 527 L HN 0.270 nan 8.230 nan 0.000 0.430 528 P HA 0.267 nan 4.420 nan 0.000 0.284 528 P C -0.828 176.671 177.300 0.331 0.000 1.253 528 P CA -0.269 62.839 63.100 0.014 0.000 0.800 528 P CB 1.171 32.828 31.700 -0.072 0.000 0.961 529 I N 3.935 124.701 120.570 0.327 0.000 2.281 529 I HA 0.236 4.407 4.170 0.001 0.000 0.293 529 I C 0.625 176.823 176.117 0.136 0.000 1.085 529 I CA -0.506 60.973 61.300 0.299 0.000 1.257 529 I CB 0.082 38.276 38.000 0.324 0.000 1.430 529 I HN 0.127 nan 8.210 nan 0.000 0.489 530 I N 6.888 127.491 120.570 0.055 0.000 2.308 530 I HA 0.089 4.260 4.170 0.001 0.000 0.293 530 I C 1.318 177.312 176.117 -0.205 0.000 1.078 530 I CA -0.139 61.054 61.300 -0.178 0.000 1.292 530 I CB 0.344 38.046 38.000 -0.497 0.000 1.423 530 I HN 0.543 nan 8.210 nan 0.000 0.493 531 N N 4.361 122.995 118.700 -0.110 0.000 2.364 531 N HA -0.185 4.555 4.740 0.001 0.000 0.183 531 N C 1.555 177.021 175.510 -0.074 0.000 1.022 531 N CA 0.856 53.877 53.050 -0.048 0.000 0.883 531 N CB 0.068 38.548 38.487 -0.012 0.000 0.965 531 N HN 0.616 nan 8.380 nan 0.000 0.438 532 E N 0.154 120.244 120.200 -0.183 0.000 2.209 532 E HA -0.166 4.184 4.350 0.001 0.000 0.196 532 E C 0.898 177.511 176.600 0.020 0.000 0.993 532 E CA 0.882 57.210 56.400 -0.120 0.000 0.819 532 E CB -0.015 29.583 29.700 -0.169 0.000 0.745 532 E HN 0.579 nan 8.360 nan 0.000 0.477 533 Y N -1.117 119.209 120.300 0.044 0.000 2.544 533 Y HA -0.010 4.540 4.550 0.001 0.000 0.286 533 Y C 2.276 178.203 175.900 0.045 0.000 1.141 533 Y CA -0.209 57.917 58.100 0.044 0.000 1.299 533 Y CB 0.146 38.637 38.460 0.052 0.000 1.030 533 Y HN -0.038 nan 8.280 nan 0.000 0.543 534 R N 1.964 122.561 120.500 0.162 0.000 2.133 534 R HA -0.218 4.122 4.340 0.001 0.000 0.247 534 R C 2.126 178.482 176.300 0.093 0.000 1.151 534 R CA 1.670 57.836 56.100 0.110 0.000 0.971 534 R CB -0.867 29.469 30.300 0.060 0.000 0.866 534 R HN 0.286 nan 8.270 nan 0.000 0.447 535 A N -0.750 122.122 122.820 0.086 0.000 2.019 535 A HA -0.130 4.191 4.320 0.001 0.000 0.219 535 A C 2.018 179.641 177.584 0.065 0.000 1.164 535 A CA 1.893 53.967 52.037 0.062 0.000 0.644 535 A CB -1.028 18.004 19.000 0.053 0.000 0.805 535 A HN 0.623 nan 8.150 nan 0.000 0.449 536 T N -2.411 112.194 114.554 0.086 0.000 3.163 536 T HA 0.158 4.508 4.350 0.001 0.000 0.260 536 T C 1.201 175.943 174.700 0.071 0.000 1.156 536 T CA 0.827 62.967 62.100 0.067 0.000 1.072 536 T CB -0.375 68.527 68.868 0.055 0.000 0.937 536 T HN 0.323 nan 8.240 nan 0.000 0.528 537 L N 0.499 121.776 121.223 0.091 0.000 2.628 537 L HA 0.318 4.659 4.340 0.001 0.000 0.229 537 L C 0.198 177.121 176.870 0.089 0.000 1.137 537 L CA -0.430 54.478 54.840 0.114 0.000 0.909 537 L CB -0.268 41.889 42.059 0.163 0.000 1.137 537 L HN 0.106 nan 8.230 nan 0.000 0.470 538 N N 1.226 119.961 118.700 0.057 0.000 2.402 538 N HA 0.005 4.745 4.740 0.001 0.000 0.259 538 N C 0.063 175.591 175.510 0.029 0.000 1.167 538 N CA 0.262 53.332 53.050 0.033 0.000 0.949 538 N CB 0.952 39.447 38.487 0.015 0.000 1.212 538 N HN -0.033 nan 8.380 nan 0.000 0.493 539 S N 1.437 117.162 115.700 0.040 0.000 2.580 539 S HA 0.109 4.579 4.470 0.001 0.000 0.274 539 S C 1.367 175.952 174.600 -0.024 0.000 1.329 539 S CA -0.471 57.754 58.200 0.042 0.000 1.036 539 S CB 0.982 64.235 63.200 0.089 0.000 0.919 539 S HN 0.495 nan 8.310 nan 0.000 0.515 540 K N 3.060 123.413 120.400 -0.079 0.000 2.155 540 K HA 0.055 4.375 4.320 0.001 0.000 0.203 540 K C 0.643 176.949 176.600 -0.490 0.000 1.052 540 K CA 1.742 57.843 56.287 -0.309 0.000 0.948 540 K CB -0.248 31.998 32.500 -0.423 0.000 0.728 540 K HN 0.785 nan 8.250 nan 0.000 0.448 541 Y N -1.150 119.164 120.300 0.023 0.000 2.609 541 Y HA 0.460 5.011 4.550 0.001 0.000 0.281 541 Y C 0.951 176.868 175.900 0.029 0.000 1.132 541 Y CA 0.026 58.139 58.100 0.022 0.000 1.264 541 Y CB -0.186 38.286 38.460 0.020 0.000 1.325 541 Y HN 0.003 nan 8.280 nan 0.000 0.514 542 A N 0.212 123.142 122.820 0.183 0.000 2.240 542 A HA 0.215 4.536 4.320 0.001 0.000 0.292 542 A C 0.690 178.324 177.584 0.084 0.000 1.121 542 A CA -0.007 52.109 52.037 0.131 0.000 0.851 542 A CB 0.049 19.135 19.000 0.143 0.000 1.167 542 A HN 0.249 nan 8.150 nan 0.000 0.503 543 D N -0.856 119.588 120.400 0.074 0.000 2.178 543 D HA 0.056 4.697 4.640 0.001 0.000 0.202 543 D C 0.270 176.594 176.300 0.039 0.000 0.974 543 D CA 1.576 55.596 54.000 0.035 0.000 0.841 543 D CB 0.100 40.906 40.800 0.011 0.000 0.953 543 D HN 0.409 nan 8.370 nan 0.000 0.478 544 I N -0.252 120.373 120.570 0.093 0.000 2.841 544 I HA 0.133 4.304 4.170 0.001 0.000 0.298 544 I C -1.339 174.902 176.117 0.207 0.000 1.304 544 I CA -0.773 60.605 61.300 0.130 0.000 1.019 544 I CB 1.997 40.058 38.000 0.101 0.000 1.282 544 I HN -0.327 nan 8.210 nan 0.000 0.432 545 N N 4.761 123.580 118.700 0.200 0.000 2.530 545 N HA 0.131 4.871 4.740 0.001 0.000 0.277 545 N C 0.253 175.926 175.510 0.272 0.000 1.168 545 N CA -0.146 53.018 53.050 0.189 0.000 0.979 545 N CB 1.627 40.186 38.487 0.121 0.000 1.141 545 N HN 0.672 nan 8.380 nan 0.000 0.459 546 Q N 1.795 121.658 119.800 0.104 0.000 2.137 546 Q HA -0.006 4.334 4.340 0.001 0.000 0.198 546 Q C 0.263 176.122 176.000 -0.235 0.000 0.960 546 Q CA 1.017 56.677 55.803 -0.238 0.000 0.847 546 Q CB 0.214 28.820 28.738 -0.220 0.000 0.915 546 Q HN 0.732 nan 8.270 nan 0.000 0.448 547 I N -2.580 117.945 120.570 -0.075 0.000 2.892 547 I HA 0.497 4.667 4.170 0.001 0.000 0.306 547 I C -0.256 175.862 176.117 0.003 0.000 1.078 547 I CA -1.238 60.030 61.300 -0.053 0.000 1.032 547 I CB 2.028 39.991 38.000 -0.061 0.000 1.229 547 I HN -0.201 nan 8.210 nan 0.000 0.435 548 S N 1.335 117.035 115.700 0.001 0.000 2.585 548 S HA 0.220 4.690 4.470 0.001 0.000 0.273 548 S C 1.110 175.703 174.600 -0.012 0.000 1.339 548 S CA 0.089 58.290 58.200 0.002 0.000 1.028 548 S CB 0.832 64.020 63.200 -0.020 0.000 0.906 548 S HN 0.853 nan 8.310 nan 0.000 0.528 549 S N 2.977 118.673 115.700 -0.007 0.000 2.387 549 S HA -0.039 4.431 4.470 0.001 0.000 0.221 549 S C 1.921 176.504 174.600 -0.027 0.000 1.041 549 S CA 0.753 58.945 58.200 -0.013 0.000 0.959 549 S CB -0.802 62.397 63.200 -0.002 0.000 0.843 549 S HN 0.784 nan 8.310 nan 0.000 0.488 550 S N 1.815 117.497 115.700 -0.030 0.000 2.341 550 S HA 0.173 4.644 4.470 0.001 0.000 0.216 550 S C 0.770 175.319 174.600 -0.085 0.000 1.034 550 S CA 0.162 58.334 58.200 -0.046 0.000 0.964 550 S CB -1.122 62.058 63.200 -0.032 0.000 0.882 550 S HN 0.297 nan 8.310 nan 0.000 0.469 551 V N 3.805 123.646 119.914 -0.120 0.000 2.458 551 V HA 0.091 4.212 4.120 0.001 0.000 0.287 551 V C 1.029 177.016 176.094 -0.179 0.000 1.009 551 V CA 0.245 62.409 62.300 -0.227 0.000 1.091 551 V CB 0.258 31.843 31.823 -0.397 0.000 0.960 551 V HN 0.444 nan 8.190 nan 0.000 0.476 552 K N 3.504 123.802 120.400 -0.170 0.000 2.459 552 K HA 0.183 4.503 4.320 0.001 0.000 0.193 552 K C 1.161 177.697 176.600 -0.106 0.000 1.030 552 K CA 0.586 56.798 56.287 -0.124 0.000 1.026 552 K CB 0.241 32.673 32.500 -0.114 0.000 0.809 552 K HN 0.756 nan 8.250 nan 0.000 0.504 553 A N 1.935 124.666 122.820 -0.149 0.000 3.026 553 A HA 0.049 4.369 4.320 0.001 0.000 0.272 553 A C 1.345 178.921 177.584 -0.013 0.000 1.782 553 A CA -0.179 51.822 52.037 -0.060 0.000 1.451 553 A CB -0.544 18.413 19.000 -0.070 0.000 1.081 553 A HN 0.279 nan 8.150 nan 0.000 0.611 554 S N 0.125 115.827 115.700 0.002 0.000 2.428 554 S HA -0.130 4.341 4.470 0.001 0.000 0.230 554 S C 1.750 176.366 174.600 0.026 0.000 1.014 554 S CA 1.425 59.628 58.200 0.006 0.000 0.957 554 S CB -0.302 62.898 63.200 0.001 0.000 0.784 554 S HN 0.563 nan 8.310 nan 0.000 0.499 555 S N 2.207 117.950 115.700 0.073 0.000 2.383 555 S HA 0.122 4.593 4.470 0.001 0.000 0.227 555 S C 1.751 176.228 174.600 -0.205 0.000 1.026 555 S CA 1.214 59.435 58.200 0.036 0.000 0.981 555 S CB -0.498 62.861 63.200 0.264 0.000 0.818 555 S HN 0.524 nan 8.310 nan 0.000 0.472 556 I N 1.142 121.714 120.570 0.004 0.000 2.202 556 I HA -0.113 4.057 4.170 0.001 0.000 0.242 556 I C 2.198 178.348 176.117 0.055 0.000 1.091 556 I CA 0.844 62.177 61.300 0.055 0.000 1.368 556 I CB -0.479 37.726 38.000 0.341 0.000 1.058 556 I HN 0.138 nan 8.210 nan 0.000 0.410 557 V N 1.189 121.153 119.914 0.083 0.000 2.343 557 V HA -0.299 3.821 4.120 0.001 0.000 0.247 557 V C 2.754 178.899 176.094 0.085 0.000 1.051 557 V CA 1.999 64.358 62.300 0.099 0.000 1.036 557 V CB -1.032 30.821 31.823 0.049 0.000 0.654 557 V HN 0.492 nan 8.190 nan 0.000 0.451 558 A N -0.290 122.537 122.820 0.012 0.000 1.908 558 A HA -0.229 4.091 4.320 0.001 0.000 0.218 558 A C 2.489 180.077 177.584 0.008 0.000 1.181 558 A CA 2.378 54.416 52.037 0.002 0.000 0.627 558 A CB -0.732 18.239 19.000 -0.048 0.000 0.818 558 A HN 0.523 nan 8.150 nan 0.000 0.445 559 S N -0.153 115.473 115.700 -0.125 0.000 2.356 559 S HA -0.112 4.359 4.470 0.001 0.000 0.223 559 S C 1.840 176.550 174.600 0.183 0.000 1.032 559 S CA 1.430 59.608 58.200 -0.037 0.000 1.005 559 S CB -0.501 62.547 63.200 -0.253 0.000 0.867 559 S HN 0.494 nan 8.310 nan 0.000 0.449 560 L N 0.090 121.405 121.223 0.154 0.000 2.013 560 L HA -0.170 4.171 4.340 0.001 0.000 0.212 560 L C 2.240 179.192 176.870 0.137 0.000 1.073 560 L CA 1.628 56.564 54.840 0.161 0.000 0.753 560 L CB -0.500 41.659 42.059 0.166 0.000 0.890 560 L HN 0.280 nan 8.230 nan 0.000 0.432 561 F N 0.376 120.358 119.950 0.055 0.000 2.069 561 F HA -0.270 4.258 4.527 0.001 0.000 0.298 561 F C 2.235 178.119 175.800 0.140 0.000 1.113 561 F CA 1.675 59.732 58.000 0.096 0.000 1.214 561 F CB -0.181 38.872 39.000 0.087 0.000 0.978 561 F HN -0.123 nan 8.300 nan 0.000 0.474 562 L N 0.299 121.637 121.223 0.192 0.000 2.083 562 L HA -0.251 4.089 4.340 0.001 0.000 0.209 562 L C 2.498 179.143 176.870 -0.375 0.000 1.083 562 L CA 1.831 56.666 54.840 -0.007 0.000 0.752 562 L CB -0.802 41.263 42.059 0.009 0.000 0.899 562 L HN 0.150 nan 8.230 nan 0.000 0.433 563 K N 0.219 120.387 120.400 -0.387 0.000 2.152 563 K HA -0.199 4.122 4.320 0.001 0.000 0.206 563 K C 1.832 178.196 176.600 -0.393 0.000 1.048 563 K CA 1.166 57.158 56.287 -0.492 0.000 0.933 563 K CB 0.085 32.577 32.500 -0.014 0.000 0.721 563 K HN 0.210 nan 8.250 nan 0.000 0.447 564 E N -0.421 119.540 120.200 -0.398 0.000 2.463 564 E HA -0.152 4.198 4.350 0.001 0.000 0.201 564 E C 0.665 176.735 176.600 -0.883 0.000 1.045 564 E CA 0.858 56.888 56.400 -0.617 0.000 0.872 564 E CB 0.047 29.268 29.700 -0.798 0.000 0.797 564 E HN 0.411 nan 8.360 nan 0.000 0.538 565 F N -0.606 119.097 119.950 -0.411 0.000 2.661 565 F HA 0.123 4.650 4.527 0.001 0.000 0.306 565 F C 0.455 176.068 175.800 -0.312 0.000 1.094 565 F CA -0.138 57.664 58.000 -0.330 0.000 1.254 565 F CB 0.991 39.807 39.000 -0.307 0.000 1.040 565 F HN -0.310 nan 8.300 nan 0.000 0.562 566 V N 0.292 120.032 119.914 -0.290 0.000 2.326 566 V HA 0.125 4.246 4.120 0.001 0.000 0.281 566 V C 0.575 176.578 176.094 -0.152 0.000 1.015 566 V CA -0.191 61.973 62.300 -0.226 0.000 0.823 566 V CB 1.132 32.750 31.823 -0.341 0.000 1.009 566 V HN 0.056 nan 8.190 nan 0.000 0.436 567 Q N 2.615 122.354 119.800 -0.103 0.000 2.083 567 Q HA -0.016 4.325 4.340 0.001 0.000 0.198 567 Q C 1.389 177.368 176.000 -0.035 0.000 0.969 567 Q CA 1.687 57.442 55.803 -0.081 0.000 0.838 567 Q CB -0.067 28.626 28.738 -0.075 0.000 0.900 567 Q HN 0.848 nan 8.270 nan 0.000 0.436 568 N N -0.773 117.920 118.700 -0.010 0.000 2.453 568 N HA 0.122 4.863 4.740 0.001 0.000 0.267 568 N C -1.607 173.925 175.510 0.037 0.000 1.482 568 N CA 0.095 53.152 53.050 0.012 0.000 0.841 568 N CB 1.265 39.749 38.487 -0.004 0.000 1.408 568 N HN 0.168 nan 8.380 nan 0.000 0.490 569 T N -0.214 114.382 114.554 0.070 0.000 2.893 569 T HA 0.662 5.013 4.350 0.001 0.000 0.293 569 T C -0.271 174.547 174.700 0.196 0.000 1.027 569 T CA -0.595 61.569 62.100 0.106 0.000 0.988 569 T CB 1.851 70.779 68.868 0.101 0.000 1.043 569 T HN 0.229 nan 8.240 nan 0.000 0.461 570 A N 2.359 125.307 122.820 0.214 0.000 2.548 570 A HA 0.408 4.729 4.320 0.001 0.000 0.247 570 A C -0.679 177.138 177.584 0.387 0.000 1.067 570 A CA 0.021 52.236 52.037 0.298 0.000 0.757 570 A CB -0.424 18.804 19.000 0.379 0.000 0.996 570 A HN 0.858 nan 8.150 nan 0.000 0.504 571 W N 2.415 123.794 121.300 0.131 0.000 3.129 571 W HA 0.613 5.273 4.660 0.001 0.000 0.333 571 W C -0.695 175.879 176.519 0.092 0.000 1.141 571 W CA -0.000 57.414 57.345 0.116 0.000 1.224 571 W CB 1.306 30.833 29.460 0.111 0.000 1.393 571 W HN 0.958 nan 8.180 nan 0.000 0.499 572 A N 3.704 126.043 122.820 -0.802 0.000 2.498 572 A HA 0.665 4.985 4.320 0.001 0.000 0.298 572 A C -2.220 174.885 177.584 -0.799 0.000 1.075 572 A CA -0.698 50.810 52.037 -0.881 0.000 0.714 572 A CB 1.571 20.271 19.000 -0.499 0.000 1.299 572 A HN 0.951 nan 8.150 nan 0.000 0.407 573 H N 0.792 119.479 119.070 -0.638 0.000 2.744 573 H HA 0.686 5.242 4.556 0.001 0.000 0.339 573 H C -1.669 173.687 175.328 0.046 0.000 1.004 573 H CA -0.587 55.356 56.048 -0.175 0.000 1.257 573 H CB 0.752 30.511 29.762 -0.005 0.000 1.552 573 H HN 0.475 nan 8.280 nan 0.000 0.522 574 I N 4.571 124.941 120.570 -0.334 0.000 2.354 574 I HA 0.160 4.330 4.170 0.001 0.000 0.286 574 I C -0.362 175.563 176.117 -0.319 0.000 1.007 574 I CA -0.657 60.490 61.300 -0.255 0.000 1.167 574 I CB 1.251 39.195 38.000 -0.093 0.000 1.320 574 I HN 0.602 nan 8.210 nan 0.000 0.458 575 D N 7.764 128.005 120.400 -0.263 0.000 2.380 575 D HA 0.254 4.895 4.640 0.001 0.000 0.230 575 D C 0.514 176.798 176.300 -0.027 0.000 1.154 575 D CA -0.263 53.690 54.000 -0.080 0.000 0.859 575 D CB 0.997 41.889 40.800 0.153 0.000 1.045 575 D HN 0.561 nan 8.370 nan 0.000 0.495 576 I N 0.800 121.337 120.570 -0.055 0.000 3.889 576 I HA 0.369 4.539 4.170 0.001 0.000 0.332 576 I C 1.532 177.621 176.117 -0.047 0.000 1.493 576 I CA -0.611 60.607 61.300 -0.137 0.000 1.158 576 I CB 0.655 38.571 38.000 -0.140 0.000 1.117 576 I HN 0.176 nan 8.210 nan 0.000 0.411 577 A N 1.870 124.711 122.820 0.036 0.000 1.908 577 A HA -0.030 4.291 4.320 0.001 0.000 0.218 577 A C 2.284 180.029 177.584 0.268 0.000 1.181 577 A CA 1.989 54.118 52.037 0.154 0.000 0.627 577 A CB -1.176 17.921 19.000 0.162 0.000 0.818 577 A HN 0.563 nan 8.150 nan 0.000 0.445 578 G N -0.965 107.933 108.800 0.163 0.000 2.494 578 G HA2 0.097 4.057 3.960 0.001 0.000 0.216 578 G HA3 0.097 4.057 3.960 0.001 0.000 0.216 578 G C 1.362 176.377 174.900 0.191 0.000 1.140 578 G CA 1.344 46.555 45.100 0.184 0.000 0.801 578 G HN 1.010 nan 8.290 nan 0.000 0.536 579 V N -2.157 117.771 119.914 0.024 0.000 3.565 579 V HA 0.193 4.313 4.120 0.001 0.000 0.260 579 V C 2.423 178.494 176.094 -0.038 0.000 1.231 579 V CA 1.417 63.654 62.300 -0.105 0.000 1.100 579 V CB 0.289 31.756 31.823 -0.594 0.000 0.807 579 V HN 0.249 nan 8.190 nan 0.000 0.454 580 S N -0.250 115.499 115.700 0.082 0.000 2.368 580 S HA -0.141 4.330 4.470 0.001 0.000 0.225 580 S C 0.706 175.459 174.600 0.255 0.000 1.030 580 S CA 0.720 59.034 58.200 0.190 0.000 0.999 580 S CB -0.265 63.076 63.200 0.234 0.000 0.844 580 S HN 0.804 nan 8.310 nan 0.000 0.459 581 W N 2.825 124.104 121.300 -0.034 0.000 2.433 581 W HA 0.430 5.090 4.660 0.001 0.000 0.315 581 W C -0.589 175.652 176.519 -0.462 0.000 1.087 581 W CA -0.945 56.198 57.345 -0.336 0.000 1.205 581 W CB 0.802 29.785 29.460 -0.795 0.000 1.288 581 W HN 0.160 nan 8.180 nan 0.000 0.504 582 N N 5.512 123.802 118.700 -0.684 0.000 2.482 582 N HA 0.038 4.779 4.740 0.001 0.000 0.242 582 N C 0.603 175.873 175.510 -0.400 0.000 1.100 582 N CA -0.006 52.812 53.050 -0.387 0.000 0.946 582 N CB -0.201 38.123 38.487 -0.270 0.000 1.227 582 N HN 0.288 nan 8.380 nan 0.000 0.508 583 F N 1.743 121.748 119.950 0.091 0.000 2.134 583 F HA -0.207 4.320 4.527 0.001 0.000 0.299 583 F C 2.284 178.145 175.800 0.101 0.000 1.097 583 F CA 0.975 59.108 58.000 0.221 0.000 1.264 583 F CB -0.186 38.920 39.000 0.177 0.000 1.001 583 F HN 0.319 nan 8.300 nan 0.000 0.479 584 K N 0.122 120.661 120.400 0.230 0.000 2.026 584 K HA -0.016 4.304 4.320 0.001 0.000 0.208 584 K C 2.229 178.869 176.600 0.067 0.000 1.048 584 K CA 1.008 57.373 56.287 0.130 0.000 0.929 584 K CB -1.509 31.051 32.500 0.101 0.000 0.713 584 K HN 0.373 nan 8.250 nan 0.000 0.439 585 A N 0.056 122.878 122.820 0.004 0.000 2.208 585 A HA 0.136 4.456 4.320 0.001 0.000 0.209 585 A C 0.674 178.208 177.584 -0.083 0.000 1.161 585 A CA 0.423 52.437 52.037 -0.038 0.000 0.782 585 A CB -0.440 18.527 19.000 -0.055 0.000 0.816 585 A HN 0.517 nan 8.150 nan 0.000 0.477 586 R N -1.093 119.358 120.500 -0.082 0.000 3.336 586 R HA -0.189 4.151 4.340 0.001 0.000 0.260 586 R C -0.463 175.669 176.300 -0.279 0.000 1.032 586 R CA 1.385 57.490 56.100 0.009 0.000 0.693 586 R CB -2.196 28.176 30.300 0.120 0.000 1.134 586 R HN 0.861 nan 8.270 nan 0.000 0.433 587 K N -2.230 117.615 120.400 -0.925 0.000 2.579 587 K HA 0.612 4.933 4.320 0.001 0.000 0.284 587 K C -3.266 172.419 176.600 -1.525 0.000 0.990 587 K CA -2.280 53.358 56.287 -1.082 0.000 0.880 587 K CB 2.476 34.719 32.500 -0.428 0.000 1.488 587 K HN -0.292 nan 8.250 nan 0.000 0.425 588 P HA 0.176 nan 4.420 nan 0.000 0.274 588 P C -0.481 176.750 177.300 -0.115 0.000 1.246 588 P CA -0.551 62.304 63.100 -0.408 0.000 0.795 588 P CB 0.636 32.306 31.700 -0.050 0.000 1.006 589 K N 0.360 120.757 120.400 -0.005 0.000 2.352 589 K HA 0.154 4.474 4.320 0.001 0.000 0.194 589 K C 1.014 177.577 176.600 -0.062 0.000 1.038 589 K CA 0.583 56.881 56.287 0.018 0.000 1.023 589 K CB -0.268 32.282 32.500 0.084 0.000 0.840 589 K HN 0.820 nan 8.250 nan 0.000 0.519 590 G N 2.644 111.464 108.800 0.033 0.000 2.273 590 G HA2 -0.298 3.663 3.960 0.001 0.000 0.280 590 G HA3 -0.298 3.663 3.960 0.001 0.000 0.280 590 G C -0.121 174.774 174.900 -0.008 0.000 1.047 590 G CA -0.053 45.042 45.100 -0.008 0.000 0.869 590 G HN 0.362 nan 8.290 nan 0.000 0.502 591 F N 0.451 120.362 119.950 -0.065 0.000 2.529 591 F HA 0.413 4.940 4.527 0.001 0.000 0.365 591 F C 1.537 177.308 175.800 -0.048 0.000 1.102 591 F CA 1.692 59.659 58.000 -0.055 0.000 1.271 591 F CB 0.729 39.719 39.000 -0.016 0.000 1.120 591 F HN 0.875 nan 8.300 nan 0.000 0.579 592 G N 3.218 111.762 108.800 -0.426 0.000 2.259 592 G HA2 -0.286 3.674 3.960 0.001 0.000 0.217 592 G HA3 -0.286 3.674 3.960 0.001 0.000 0.217 592 G C 0.757 175.562 174.900 -0.157 0.000 1.001 592 G CA 0.028 45.023 45.100 -0.175 0.000 0.627 592 G HN 0.659 nan 8.290 nan 0.000 0.501 593 V N 1.420 121.237 119.914 -0.162 0.000 2.255 593 V HA -0.191 3.929 4.120 0.001 0.000 0.247 593 V C 2.899 178.839 176.094 -0.256 0.000 1.051 593 V CA 2.953 65.165 62.300 -0.147 0.000 1.018 593 V CB -0.601 31.144 31.823 -0.131 0.000 0.641 593 V HN 0.506 nan 8.190 nan 0.000 0.445 594 R N -0.577 119.710 120.500 -0.355 0.000 2.073 594 R HA -0.138 4.202 4.340 0.001 0.000 0.234 594 R C 2.255 178.382 176.300 -0.288 0.000 1.134 594 R CA 1.589 57.389 56.100 -0.499 0.000 0.952 594 R CB -0.690 29.413 30.300 -0.328 0.000 0.850 594 R HN 0.403 nan 8.270 nan 0.000 0.433 595 L N 1.389 122.471 121.223 -0.235 0.000 1.978 595 L HA -0.226 4.114 4.340 0.001 0.000 0.218 595 L C 2.031 178.879 176.870 -0.036 0.000 1.075 595 L CA 1.839 56.594 54.840 -0.142 0.000 0.767 595 L CB -0.506 41.435 42.059 -0.197 0.000 0.890 595 L HN 0.153 nan 8.230 nan 0.000 0.434 596 L N -1.234 119.970 121.223 -0.031 0.000 2.079 596 L HA -0.222 4.118 4.340 0.001 0.000 0.210 596 L C 2.361 179.312 176.870 0.135 0.000 1.081 596 L CA 1.769 56.662 54.840 0.088 0.000 0.752 596 L CB -1.167 40.944 42.059 0.087 0.000 0.896 596 L HN 0.370 nan 8.230 nan 0.000 0.433 597 T N -1.168 113.388 114.554 0.003 0.000 2.777 597 T HA -0.134 4.216 4.350 0.001 0.000 0.266 597 T C 1.813 176.558 174.700 0.075 0.000 1.040 597 T CA 0.965 63.067 62.100 0.002 0.000 1.141 597 T CB -0.103 68.657 68.868 -0.180 0.000 0.868 597 T HN 0.267 nan 8.240 nan 0.000 0.444 598 E N 0.733 120.980 120.200 0.078 0.000 2.085 598 E HA -0.101 4.249 4.350 0.001 0.000 0.194 598 E C 1.893 178.552 176.600 0.099 0.000 0.994 598 E CA 0.888 57.366 56.400 0.129 0.000 0.801 598 E CB -0.461 29.310 29.700 0.118 0.000 0.743 598 E HN 0.534 nan 8.360 nan 0.000 0.453 599 F N 1.533 121.469 119.950 -0.024 0.000 2.095 599 F HA -0.224 4.303 4.527 0.001 0.000 0.298 599 F C 2.247 178.037 175.800 -0.017 0.000 1.104 599 F CA 1.176 59.149 58.000 -0.045 0.000 1.232 599 F CB -0.485 38.472 39.000 -0.072 0.000 0.987 599 F HN -0.208 nan 8.300 nan 0.000 0.475 600 V N 0.273 120.080 119.914 -0.178 0.000 2.343 600 V HA -0.287 3.834 4.120 0.001 0.000 0.247 600 V C 2.426 178.425 176.094 -0.158 0.000 1.051 600 V CA 1.712 63.876 62.300 -0.226 0.000 1.036 600 V CB -0.770 31.044 31.823 -0.015 0.000 0.654 600 V HN 0.318 nan 8.190 nan 0.000 0.451 601 L N 0.924 122.112 121.223 -0.058 0.000 2.093 601 L HA -0.058 4.283 4.340 0.001 0.000 0.208 601 L C 2.479 179.323 176.870 -0.045 0.000 1.085 601 L CA 2.349 57.176 54.840 -0.022 0.000 0.755 601 L CB -1.509 40.579 42.059 0.048 0.000 0.904 601 L HN 0.567 nan 8.230 nan 0.000 0.435 602 N N -1.705 116.956 118.700 -0.064 0.000 2.422 602 N HA -0.050 4.691 4.740 0.001 0.000 0.181 602 N C 1.022 176.474 175.510 -0.098 0.000 1.080 602 N CA 0.526 53.540 53.050 -0.059 0.000 0.893 602 N CB -0.237 38.233 38.487 -0.029 0.000 0.973 602 N HN 0.369 nan 8.380 nan 0.000 0.456 603 D N 0.000 120.287 120.400 -0.189 0.000 6.856 603 D HA 0.000 4.640 4.640 0.001 0.000 0.175 603 D CA 0.000 53.889 54.000 -0.185 0.000 0.868 603 D CB 0.000 40.569 40.800 -0.385 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683