REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kr4_1_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 0.000 174.638 174.600 0.064 0.000 1.055 86 S CA 0.000 58.242 58.200 0.069 0.000 1.107 86 S CB 0.000 63.240 63.200 0.066 0.000 0.593 87 E N 2.891 123.127 120.200 0.060 0.000 2.324 87 E HA 0.320 4.670 4.350 0.001 0.000 0.271 87 E C -0.969 175.675 176.600 0.073 0.000 1.028 87 E CA -0.043 56.391 56.400 0.057 0.000 0.890 87 E CB 0.765 30.492 29.700 0.046 0.000 1.004 87 E HN 0.169 nan 8.360 nan 0.000 0.431 88 V N 8.360 128.320 119.914 0.077 0.000 2.439 88 V HA 0.146 4.266 4.120 0.001 0.000 0.271 88 V C -1.692 174.475 176.094 0.121 0.000 1.040 88 V CA -1.246 61.122 62.300 0.114 0.000 1.002 88 V CB 0.505 32.380 31.823 0.085 0.000 1.000 88 V HN 0.726 nan 8.190 nan 0.000 0.477 89 P HA 0.247 nan 4.420 nan 0.000 0.272 89 P C -0.852 176.484 177.300 0.060 0.000 1.223 89 P CA -0.324 62.812 63.100 0.059 0.000 0.784 89 P CB 0.907 32.593 31.700 -0.024 0.000 0.923 90 Q N 0.218 120.022 119.800 0.006 0.000 2.413 90 Q HA 0.332 4.673 4.340 0.001 0.000 0.276 90 Q C 0.622 176.600 176.000 -0.038 0.000 1.099 90 Q CA -0.991 54.810 55.803 -0.002 0.000 0.814 90 Q CB 2.363 31.100 28.738 -0.002 0.000 1.379 90 Q HN 0.058 nan 8.270 nan 0.000 0.436 91 V N 0.258 120.145 119.914 -0.045 0.000 2.575 91 V HA 0.033 4.153 4.120 0.001 0.000 0.242 91 V C 0.602 176.674 176.094 -0.036 0.000 1.045 91 V CA 0.640 62.909 62.300 -0.051 0.000 1.065 91 V CB 0.645 32.432 31.823 -0.060 0.000 0.717 91 V HN 0.636 nan 8.190 nan 0.000 0.467 92 V N -2.284 117.610 119.914 -0.033 0.000 3.001 92 V HA 0.578 4.698 4.120 0.001 0.000 0.314 92 V C 1.232 177.312 176.094 -0.024 0.000 1.099 92 V CA 0.098 62.382 62.300 -0.027 0.000 0.989 92 V CB 1.412 33.218 31.823 -0.027 0.000 1.040 92 V HN 0.245 nan 8.190 nan 0.000 0.434 93 S N 1.502 117.191 115.700 -0.018 0.000 2.440 93 S HA -0.087 4.383 4.470 0.001 0.000 0.238 93 S C 1.374 175.963 174.600 -0.018 0.000 1.010 93 S CA 1.671 59.862 58.200 -0.014 0.000 0.972 93 S CB -0.816 62.379 63.200 -0.008 0.000 0.774 93 S HN 0.757 nan 8.310 nan 0.000 0.501 94 L N 0.899 122.107 121.223 -0.024 0.000 2.554 94 L HA 0.181 4.521 4.340 0.001 0.000 0.226 94 L C 0.134 176.969 176.870 -0.060 0.000 1.137 94 L CA 0.019 54.841 54.840 -0.029 0.000 0.863 94 L CB -0.546 41.500 42.059 -0.021 0.000 0.985 94 L HN 0.188 nan 8.230 nan 0.000 0.451 95 D N 1.873 122.234 120.400 -0.065 0.000 2.425 95 D HA 0.136 4.776 4.640 0.001 0.000 0.247 95 D C -2.066 174.157 176.300 -0.128 0.000 1.147 95 D CA -1.030 52.908 54.000 -0.104 0.000 0.879 95 D CB 0.859 41.625 40.800 -0.057 0.000 1.179 95 D HN -0.028 nan 8.370 nan 0.000 0.456 96 P HA 0.107 nan 4.420 nan 0.000 0.274 96 P C 0.478 177.714 177.300 -0.107 0.000 1.231 96 P CA -0.232 62.725 63.100 -0.240 0.000 0.790 96 P CB 0.558 31.871 31.700 -0.645 0.000 0.951 97 T N -3.264 111.276 114.554 -0.024 0.000 3.084 97 T HA 0.329 4.679 4.350 0.001 0.000 0.270 97 T C 0.337 175.059 174.700 0.038 0.000 1.008 97 T CA -0.201 61.907 62.100 0.014 0.000 0.900 97 T CB -0.479 68.404 68.868 0.024 0.000 1.084 97 T HN 0.539 nan 8.240 nan 0.000 0.538 98 S N 0.394 116.134 115.700 0.066 0.000 2.596 98 S HA 0.685 5.155 4.470 0.001 0.000 0.270 98 S C -1.116 173.582 174.600 0.164 0.000 1.155 98 S CA -1.182 57.072 58.200 0.090 0.000 0.827 98 S CB 0.858 64.105 63.200 0.078 0.000 1.130 98 S HN 0.283 nan 8.310 nan 0.000 0.467 99 I N 2.723 123.367 120.570 0.122 0.000 2.352 99 I HA 0.334 4.505 4.170 0.001 0.000 0.290 99 I C -2.054 174.085 176.117 0.036 0.000 1.036 99 I CA -2.025 59.351 61.300 0.125 0.000 1.336 99 I CB 0.934 38.956 38.000 0.037 0.000 1.407 99 I HN 0.488 nan 8.210 nan 0.000 0.497 100 P HA 0.316 nan 4.420 nan 0.000 0.276 100 P C -0.705 176.473 177.300 -0.204 0.000 1.235 100 P CA 0.141 63.155 63.100 -0.144 0.000 0.772 100 P CB 1.006 32.517 31.700 -0.315 0.000 0.871 101 I N 1.603 122.062 120.570 -0.184 0.000 2.534 101 I HA 0.256 4.426 4.170 0.001 0.000 0.288 101 I C 0.219 176.148 176.117 -0.312 0.000 1.077 101 I CA -0.702 60.418 61.300 -0.300 0.000 1.051 101 I CB 2.712 40.492 38.000 -0.368 0.000 1.234 101 I HN 0.281 nan 8.210 nan 0.000 0.425 102 E N 5.025 125.081 120.200 -0.240 0.000 2.134 102 E HA 0.294 4.644 4.350 0.001 0.000 0.278 102 E C -0.734 175.837 176.600 -0.049 0.000 0.959 102 E CA -0.194 56.151 56.400 -0.091 0.000 0.783 102 E CB 1.078 30.794 29.700 0.026 0.000 1.095 102 E HN 0.513 nan 8.360 nan 0.000 0.399 103 Y N 2.639 122.974 120.300 0.059 0.000 2.314 103 Y HA 0.091 4.642 4.550 0.001 0.000 0.294 103 Y C 0.575 176.220 175.900 -0.426 0.000 1.139 103 Y CA 0.012 58.003 58.100 -0.182 0.000 1.162 103 Y CB 0.351 38.674 38.460 -0.228 0.000 1.121 103 Y HN 0.440 nan 8.280 nan 0.000 0.529 104 N N 1.281 119.923 118.700 -0.096 0.000 2.605 104 N HA 0.115 4.855 4.740 0.001 0.000 0.258 104 N C -0.457 175.033 175.510 -0.034 0.000 1.156 104 N CA -0.183 52.762 53.050 -0.174 0.000 1.008 104 N CB 0.486 38.901 38.487 -0.120 0.000 1.354 104 N HN 0.153 nan 8.380 nan 0.000 0.509 105 T N -1.158 113.473 114.554 0.128 0.000 2.902 105 T HA 0.308 4.659 4.350 0.001 0.000 0.280 105 T C -1.673 172.960 174.700 -0.112 0.000 0.992 105 T CA -2.008 60.127 62.100 0.058 0.000 1.015 105 T CB 1.553 70.509 68.868 0.146 0.000 1.044 105 T HN 0.026 nan 8.240 nan 0.000 0.520 106 P HA -0.047 nan 4.420 nan 0.000 0.219 106 P C 1.552 178.529 177.300 -0.539 0.000 1.146 106 P CA 0.545 63.304 63.100 -0.567 0.000 0.808 106 P CB -0.125 30.824 31.700 -1.251 0.000 0.779 107 I N -1.184 119.033 120.570 -0.588 0.000 2.286 107 I HA -0.211 3.959 4.170 0.001 0.000 0.248 107 I C 1.971 177.715 176.117 -0.621 0.000 1.115 107 I CA 1.654 62.535 61.300 -0.699 0.000 1.392 107 I CB -1.874 35.465 38.000 -1.102 0.000 1.065 107 I HN 0.143 nan 8.210 nan 0.000 0.418 108 H N 0.788 119.669 119.070 -0.314 0.000 2.489 108 H HA -0.098 4.458 4.556 0.001 0.000 0.293 108 H C 1.286 176.488 175.328 -0.210 0.000 1.066 108 H CA 1.211 57.123 56.048 -0.227 0.000 1.305 108 H CB -0.012 29.656 29.762 -0.156 0.000 1.386 108 H HN 0.312 nan 8.280 nan 0.000 0.551 109 D N 0.187 120.506 120.400 -0.134 0.000 2.340 109 D HA 0.036 4.676 4.640 0.001 0.000 0.220 109 D C 0.189 176.388 176.300 -0.169 0.000 1.039 109 D CA 0.254 54.175 54.000 -0.132 0.000 0.866 109 D CB 0.228 40.949 40.800 -0.132 0.000 0.913 109 D HN 0.376 nan 8.370 nan 0.000 0.523 110 I N 1.417 121.864 120.570 -0.206 0.000 2.436 110 I HA -0.040 4.130 4.170 0.001 0.000 0.289 110 I C 0.551 176.591 176.117 -0.129 0.000 1.083 110 I CA -0.154 61.041 61.300 -0.176 0.000 1.372 110 I CB 0.521 38.425 38.000 -0.158 0.000 1.408 110 I HN -0.433 nan 8.210 nan 0.000 0.516 111 K N 5.505 125.831 120.400 -0.123 0.000 2.349 111 K HA 0.300 4.621 4.320 0.001 0.000 0.289 111 K C -0.340 176.293 176.600 0.055 0.000 1.064 111 K CA -0.431 55.847 56.287 -0.015 0.000 0.947 111 K CB 1.025 33.559 32.500 0.056 0.000 1.007 111 K HN 0.397 nan 8.250 nan 0.000 0.478 112 V N 4.394 124.336 119.914 0.046 0.000 2.398 112 V HA 0.358 4.478 4.120 0.001 0.000 0.286 112 V C -0.066 176.024 176.094 -0.008 0.000 1.026 112 V CA -0.766 61.570 62.300 0.060 0.000 0.868 112 V CB 1.567 33.456 31.823 0.110 0.000 0.982 112 V HN 0.702 nan 8.190 nan 0.000 0.443 113 Q N 3.221 122.968 119.800 -0.089 0.000 2.353 113 Q HA 0.639 4.979 4.340 0.001 0.000 0.268 113 Q C -1.238 174.426 176.000 -0.560 0.000 1.045 113 Q CA -0.595 55.009 55.803 -0.332 0.000 0.811 113 Q CB 2.995 31.488 28.738 -0.407 0.000 1.305 113 Q HN 0.550 nan 8.270 nan 0.000 0.447 114 V N 3.098 122.657 119.914 -0.592 0.000 2.459 114 V HA 0.519 4.640 4.120 0.001 0.000 0.295 114 V C -1.056 174.614 176.094 -0.708 0.000 1.029 114 V CA -0.675 61.313 62.300 -0.520 0.000 0.874 114 V CB 0.941 32.639 31.823 -0.208 0.000 0.985 114 V HN 0.620 nan 8.190 nan 0.000 0.438 115 Y N 0.831 120.952 120.300 -0.297 0.000 2.536 115 Y HA 0.437 4.988 4.550 0.001 0.000 0.347 115 Y C 0.190 176.006 175.900 -0.139 0.000 1.000 115 Y CA -1.018 56.913 58.100 -0.283 0.000 1.051 115 Y CB 1.423 39.536 38.460 -0.579 0.000 1.259 115 Y HN 0.531 nan 8.280 nan 0.000 0.468 116 D N 1.931 122.416 120.400 0.142 0.000 2.351 116 D HA 0.043 4.683 4.640 0.001 0.000 0.251 116 D C 0.757 177.199 176.300 0.236 0.000 1.137 116 D CA 0.361 54.441 54.000 0.133 0.000 0.879 116 D CB 1.289 42.144 40.800 0.090 0.000 1.181 116 D HN 0.757 nan 8.370 nan 0.000 0.448 117 I N 3.230 123.930 120.570 0.216 0.000 2.614 117 I HA -0.268 3.902 4.170 0.001 0.000 0.258 117 I C 2.409 178.614 176.117 0.146 0.000 1.189 117 I CA 0.943 62.383 61.300 0.233 0.000 1.462 117 I CB 0.135 38.239 38.000 0.173 0.000 1.092 117 I HN 0.289 nan 8.210 nan 0.000 0.442 118 K N -0.228 120.239 120.400 0.112 0.000 2.504 118 K HA 0.105 4.426 4.320 0.001 0.000 0.195 118 K C 1.614 178.258 176.600 0.074 0.000 1.036 118 K CA 0.834 57.167 56.287 0.077 0.000 0.984 118 K CB -1.441 31.093 32.500 0.058 0.000 0.788 118 K HN 0.524 nan 8.250 nan 0.000 0.488 119 G N 0.064 108.925 108.800 0.102 0.000 2.813 119 G HA2 0.416 4.376 3.960 0.001 0.000 0.209 119 G HA3 0.416 4.376 3.960 0.001 0.000 0.209 119 G C 0.846 175.786 174.900 0.066 0.000 1.150 119 G CA 0.142 45.293 45.100 0.085 0.000 0.785 119 G HN 1.137 nan 8.290 nan 0.000 0.535 120 G N -1.628 107.208 108.800 0.060 0.000 2.733 120 G HA2 -0.107 3.853 3.960 0.001 0.000 0.686 120 G HA3 -0.107 3.853 3.960 0.001 0.000 0.686 120 G C -0.297 174.532 174.900 -0.118 0.000 1.373 120 G CA -0.505 44.587 45.100 -0.014 0.000 0.838 120 G HN 0.698 nan 8.290 nan 0.000 0.588 121 C N 1.810 120.933 119.300 -0.295 0.000 2.307 121 C HA 0.599 5.060 4.460 0.001 0.000 0.340 121 C C 0.354 175.173 174.990 -0.285 0.000 1.275 121 C CA -1.275 57.338 59.018 -0.676 0.000 1.811 121 C CB 0.407 27.711 27.740 -0.728 0.000 2.372 121 C HN 0.683 nan 8.230 nan 0.000 0.531 122 N N 1.592 120.191 118.700 -0.168 0.000 2.472 122 N HA 0.427 5.167 4.740 0.001 0.000 0.277 122 N C -0.729 174.753 175.510 -0.047 0.000 1.081 122 N CA -0.212 52.802 53.050 -0.060 0.000 0.973 122 N CB 1.385 39.854 38.487 -0.029 0.000 1.105 122 N HN 0.450 nan 8.380 nan 0.000 0.470 123 V N 2.443 122.336 119.914 -0.035 0.000 2.305 123 V HA 0.245 4.365 4.120 0.001 0.000 0.275 123 V C 0.681 176.759 176.094 -0.026 0.000 1.020 123 V CA -0.312 61.973 62.300 -0.025 0.000 0.811 123 V CB 0.870 32.688 31.823 -0.009 0.000 1.031 123 V HN 0.686 nan 8.190 nan 0.000 0.439 124 E N 3.012 123.198 120.200 -0.023 0.000 2.421 124 E HA 0.208 4.559 4.350 0.001 0.000 0.209 124 E C 0.355 176.934 176.600 -0.036 0.000 0.871 124 E CA 0.174 56.558 56.400 -0.027 0.000 1.064 124 E CB 1.113 30.801 29.700 -0.020 0.000 1.075 124 E HN 0.913 nan 8.360 nan 0.000 0.513 125 E N -1.086 119.093 120.200 -0.034 0.000 2.417 125 E HA 0.439 4.790 4.350 0.001 0.000 0.280 125 E C 0.269 176.858 176.600 -0.019 0.000 1.112 125 E CA -0.666 55.715 56.400 -0.032 0.000 0.863 125 E CB 0.774 30.462 29.700 -0.020 0.000 1.346 125 E HN 0.063 nan 8.360 nan 0.000 0.443 126 G N 0.106 108.900 108.800 -0.011 0.000 2.564 126 G HA2 -0.220 3.741 3.960 0.001 0.000 0.273 126 G HA3 -0.220 3.741 3.960 0.001 0.000 0.273 126 G C -0.866 174.029 174.900 -0.009 0.000 1.242 126 G CA 0.291 45.394 45.100 0.006 0.000 0.951 126 G HN 0.894 nan 8.290 nan 0.000 0.564 127 L N 0.188 121.407 121.223 -0.007 0.000 2.329 127 L HA 0.786 5.127 4.340 0.001 0.000 0.279 127 L C 0.174 177.015 176.870 -0.049 0.000 1.014 127 L CA -0.102 54.722 54.840 -0.028 0.000 0.814 127 L CB 2.240 44.282 42.059 -0.028 0.000 1.257 127 L HN 0.745 nan 8.230 nan 0.000 0.424 128 T N 6.313 120.825 114.554 -0.069 0.000 2.833 128 T HA 0.566 4.916 4.350 0.001 0.000 0.297 128 T C -0.552 174.049 174.700 -0.165 0.000 1.015 128 T CA -0.239 61.788 62.100 -0.122 0.000 0.963 128 T CB 0.572 69.375 68.868 -0.109 0.000 0.955 128 T HN 0.267 nan 8.240 nan 0.000 0.449 129 I N 3.842 124.275 120.570 -0.229 0.000 2.354 129 I HA 0.439 4.609 4.170 0.001 0.000 0.292 129 I C -0.389 175.563 176.117 -0.275 0.000 0.989 129 I CA -1.362 59.822 61.300 -0.194 0.000 1.188 129 I CB 0.853 38.739 38.000 -0.190 0.000 1.342 129 I HN 0.527 nan 8.210 nan 0.000 0.457 130 F N 5.821 125.743 119.950 -0.046 0.000 2.404 130 F HA 0.385 4.913 4.527 0.001 0.000 0.345 130 F C 0.461 176.228 175.800 -0.055 0.000 1.110 130 F CA -0.487 57.493 58.000 -0.032 0.000 1.130 130 F CB 0.816 39.835 39.000 0.030 0.000 1.129 130 F HN 0.134 nan 8.300 nan 0.000 0.500 131 L N 5.389 126.600 121.223 -0.020 0.000 2.255 131 L HA 0.552 4.893 4.340 0.001 0.000 0.289 131 L C -0.495 176.387 176.870 0.019 0.000 1.046 131 L CA -0.863 53.923 54.840 -0.090 0.000 0.816 131 L CB 0.591 42.410 42.059 -0.400 0.000 1.197 131 L HN 0.436 nan 8.230 nan 0.000 0.427 132 V N 0.755 120.715 119.914 0.076 0.000 2.656 132 V HA 0.704 4.824 4.120 0.001 0.000 0.307 132 V C -0.680 175.441 176.094 0.045 0.000 1.051 132 V CA -0.622 61.711 62.300 0.055 0.000 0.893 132 V CB 1.858 33.687 31.823 0.010 0.000 0.999 132 V HN 0.814 nan 8.190 nan 0.000 0.426 133 N N 2.354 121.074 118.700 0.032 0.000 3.002 133 N HA 0.569 5.309 4.740 0.001 0.000 0.331 133 N C -1.110 174.410 175.510 0.016 0.000 1.384 133 N CA -0.825 52.245 53.050 0.034 0.000 0.780 133 N CB 1.443 39.956 38.487 0.043 0.000 1.492 133 N HN 0.706 nan 8.380 nan 0.000 0.608 134 N N -0.675 118.038 118.700 0.021 0.000 2.701 134 N HA 0.383 5.123 4.740 0.001 0.000 0.258 134 N C -3.109 172.413 175.510 0.019 0.000 1.262 134 N CA -0.922 52.136 53.050 0.012 0.000 0.780 134 N CB 1.288 39.777 38.487 0.004 0.000 1.380 134 N HN 0.364 nan 8.380 nan 0.000 0.548 135 P HA 0.242 nan 4.420 nan 0.000 0.268 135 P C 0.920 178.232 177.300 0.019 0.000 1.204 135 P CA 0.726 63.840 63.100 0.024 0.000 0.768 135 P CB 0.774 32.489 31.700 0.024 0.000 0.842 136 G N 1.015 109.827 108.800 0.021 0.000 2.640 136 G HA2 -0.293 3.668 3.960 0.001 0.000 0.226 136 G HA3 -0.293 3.668 3.960 0.001 0.000 0.226 136 G C 0.498 175.408 174.900 0.017 0.000 1.222 136 G CA 0.314 45.425 45.100 0.018 0.000 0.729 136 G HN 0.855 nan 8.290 nan 0.000 0.516 137 K N 1.320 121.730 120.400 0.016 0.000 2.219 137 K HA 0.761 5.082 4.320 0.001 0.000 0.280 137 K C 0.282 176.894 176.600 0.020 0.000 1.104 137 K CA 1.399 57.695 56.287 0.015 0.000 0.925 137 K CB -0.611 31.894 32.500 0.009 0.000 1.261 137 K HN 1.965 nan 8.250 nan 0.000 0.445 138 E N 2.729 122.943 120.200 0.022 0.000 2.558 138 E HA 0.146 4.496 4.350 0.001 0.000 0.255 138 E C 0.345 176.963 176.600 0.030 0.000 0.968 138 E CA 0.082 56.498 56.400 0.027 0.000 0.939 138 E CB -0.522 29.193 29.700 0.025 0.000 0.921 138 E HN 0.748 nan 8.360 nan 0.000 0.477 139 N N 0.703 119.426 118.700 0.039 0.000 2.716 139 N HA -0.125 4.615 4.740 0.001 0.000 0.250 139 N C 0.544 176.076 175.510 0.037 0.000 1.033 139 N CA 1.207 54.285 53.050 0.046 0.000 0.727 139 N CB -1.645 36.871 38.487 0.048 0.000 0.950 139 N HN 1.057 nan 8.380 nan 0.000 0.541 140 G N 0.051 108.868 108.800 0.028 0.000 2.667 140 G HA2 0.366 4.326 3.960 0.001 0.000 0.250 140 G HA3 0.366 4.326 3.960 0.001 0.000 0.250 140 G C -2.104 172.801 174.900 0.009 0.000 1.212 140 G CA -0.667 44.442 45.100 0.014 0.000 0.874 140 G HN 0.119 nan 8.290 nan 0.000 0.561 141 P HA 0.178 nan 4.420 nan 0.000 0.274 141 P C -0.142 177.126 177.300 -0.053 0.000 1.237 141 P CA -0.364 62.722 63.100 -0.023 0.000 0.793 141 P CB 1.151 32.829 31.700 -0.037 0.000 0.977 142 V N 3.204 123.065 119.914 -0.088 0.000 2.555 142 V HA 0.119 4.239 4.120 0.001 0.000 0.286 142 V C 0.747 176.768 176.094 -0.122 0.000 1.044 142 V CA 0.488 62.682 62.300 -0.177 0.000 1.026 142 V CB -0.205 31.407 31.823 -0.351 0.000 0.981 142 V HN 0.486 nan 8.190 nan 0.000 0.480 143 K N 5.359 125.689 120.400 -0.117 0.000 2.578 143 K HA 0.506 4.826 4.320 0.001 0.000 0.250 143 K C -1.262 175.267 176.600 -0.119 0.000 0.955 143 K CA -0.670 55.556 56.287 -0.102 0.000 0.825 143 K CB 1.866 34.324 32.500 -0.071 0.000 1.151 143 K HN 0.391 nan 8.250 nan 0.000 0.432 144 I N 3.397 123.868 120.570 -0.166 0.000 2.379 144 I HA -0.012 4.158 4.170 0.001 0.000 0.290 144 I C 1.521 177.550 176.117 -0.146 0.000 1.063 144 I CA 0.403 61.560 61.300 -0.237 0.000 1.351 144 I CB 0.714 38.441 38.000 -0.456 0.000 1.410 144 I HN 0.734 nan 8.210 nan 0.000 0.505 145 S N 3.317 118.973 115.700 -0.073 0.000 2.486 145 S HA 0.096 4.567 4.470 0.001 0.000 0.220 145 S C 0.962 175.564 174.600 0.003 0.000 1.011 145 S CA -0.303 57.882 58.200 -0.026 0.000 0.921 145 S CB 0.080 63.281 63.200 0.000 0.000 0.785 145 S HN 0.531 nan 8.310 nan 0.000 0.517 146 S N 2.490 118.215 115.700 0.042 0.000 2.573 146 S HA 0.473 4.943 4.470 0.001 0.000 0.277 146 S C 0.364 174.986 174.600 0.037 0.000 1.346 146 S CA 0.012 58.260 58.200 0.080 0.000 1.034 146 S CB 0.392 63.711 63.200 0.198 0.000 0.879 146 S HN 0.849 nan 8.310 nan 0.000 0.528 147 K N 1.546 121.963 120.400 0.027 0.000 2.368 147 K HA 0.474 4.794 4.320 0.001 0.000 0.282 147 K C -0.553 176.048 176.600 0.002 0.000 1.035 147 K CA -0.444 55.848 56.287 0.009 0.000 0.973 147 K CB 0.203 32.708 32.500 0.009 0.000 0.957 147 K HN 0.483 nan 8.250 nan 0.000 0.474 148 V N 3.338 123.254 119.914 0.004 0.000 2.448 148 V HA 0.199 4.319 4.120 0.001 0.000 0.295 148 V C -0.111 175.978 176.094 -0.008 0.000 1.025 148 V CA -1.079 61.224 62.300 0.005 0.000 0.859 148 V CB 1.668 33.521 31.823 0.050 0.000 0.988 148 V HN 0.929 nan 8.190 nan 0.000 0.431 149 N N 4.001 122.686 118.700 -0.025 0.000 2.652 149 N HA 0.119 4.860 4.740 0.001 0.000 0.259 149 N C -0.337 175.169 175.510 -0.006 0.000 1.240 149 N CA 0.276 53.317 53.050 -0.016 0.000 0.951 149 N CB -0.059 38.414 38.487 -0.022 0.000 1.281 149 N HN 0.737 nan 8.380 nan 0.000 0.507 150 D N -0.727 119.674 120.400 0.003 0.000 2.891 150 D HA 0.148 4.788 4.640 0.001 0.000 0.224 150 D C 0.647 176.959 176.300 0.019 0.000 1.321 150 D CA -0.223 53.783 54.000 0.011 0.000 0.929 150 D CB 1.202 42.008 40.800 0.011 0.000 1.551 150 D HN 0.081 nan 8.370 nan 0.000 0.574 151 K N 2.635 123.047 120.400 0.020 0.000 2.025 151 K HA -0.158 4.163 4.320 0.001 0.000 0.207 151 K C 1.778 178.400 176.600 0.037 0.000 1.049 151 K CA 1.314 57.614 56.287 0.023 0.000 0.933 151 K CB -0.607 31.904 32.500 0.018 0.000 0.714 151 K HN 0.499 nan 8.250 nan 0.000 0.438 152 Q N 0.165 119.993 119.800 0.047 0.000 2.061 152 Q HA -0.097 4.243 4.340 0.001 0.000 0.204 152 Q C 2.325 178.383 176.000 0.096 0.000 0.984 152 Q CA 1.797 57.644 55.803 0.073 0.000 0.846 152 Q CB -0.515 28.269 28.738 0.076 0.000 0.902 152 Q HN 0.433 nan 8.270 nan 0.000 0.421 153 V N 0.637 120.593 119.914 0.070 0.000 2.453 153 V HA -0.175 3.945 4.120 0.001 0.000 0.247 153 V C 2.364 178.516 176.094 0.097 0.000 1.048 153 V CA 1.596 63.946 62.300 0.083 0.000 1.049 153 V CB -0.552 31.303 31.823 0.053 0.000 0.672 153 V HN 0.247 nan 8.190 nan 0.000 0.457 154 S N -0.415 115.319 115.700 0.056 0.000 2.370 154 S HA -0.230 4.241 4.470 0.001 0.000 0.226 154 S C 2.162 176.777 174.600 0.024 0.000 1.033 154 S CA 1.681 59.896 58.200 0.025 0.000 1.011 154 S CB -0.263 62.943 63.200 0.009 0.000 0.852 154 S HN 0.643 nan 8.310 nan 0.000 0.457 155 E N 0.314 120.538 120.200 0.041 0.000 2.085 155 E HA -0.116 4.234 4.350 0.001 0.000 0.194 155 E C 1.646 178.255 176.600 0.014 0.000 0.994 155 E CA 1.008 57.421 56.400 0.021 0.000 0.801 155 E CB -0.548 29.173 29.700 0.034 0.000 0.743 155 E HN 0.693 nan 8.360 nan 0.000 0.453 156 F N 0.261 120.177 119.950 -0.057 0.000 2.171 156 F HA 0.033 4.561 4.527 0.001 0.000 0.300 156 F C 1.819 177.529 175.800 -0.150 0.000 1.090 156 F CA 1.347 59.293 58.000 -0.090 0.000 1.293 156 F CB 0.130 39.087 39.000 -0.073 0.000 1.013 156 F HN 0.101 nan 8.300 nan 0.000 0.486 157 L N -0.120 121.145 121.223 0.071 0.000 2.629 157 L HA 0.051 4.391 4.340 0.001 0.000 0.230 157 L C 0.654 177.459 176.870 -0.108 0.000 1.151 157 L CA -0.230 54.590 54.840 -0.033 0.000 0.924 157 L CB -0.632 41.391 42.059 -0.060 0.000 1.137 157 L HN -0.315 nan 8.230 nan 0.000 0.457 158 K N 0.233 120.564 120.400 -0.116 0.000 2.469 158 K HA -0.059 4.262 4.320 0.001 0.000 0.274 158 K C 0.781 177.306 176.600 -0.126 0.000 0.983 158 K CA -0.139 56.081 56.287 -0.111 0.000 0.974 158 K CB 0.652 33.086 32.500 -0.109 0.000 0.913 158 K HN 0.149 nan 8.250 nan 0.000 0.493 159 D N 1.345 121.682 120.400 -0.105 0.000 2.133 159 D HA -0.147 4.493 4.640 0.001 0.000 0.195 159 D C 1.950 178.181 176.300 -0.116 0.000 0.997 159 D CA 1.577 55.517 54.000 -0.101 0.000 0.840 159 D CB -0.098 40.654 40.800 -0.081 0.000 0.947 159 D HN 0.556 nan 8.370 nan 0.000 0.452 160 E N 0.605 120.734 120.200 -0.119 0.000 2.085 160 E HA -0.154 4.196 4.350 0.001 0.000 0.194 160 E C 1.867 178.362 176.600 -0.175 0.000 0.994 160 E CA 0.983 57.305 56.400 -0.131 0.000 0.801 160 E CB -0.463 29.166 29.700 -0.117 0.000 0.743 160 E HN 0.409 nan 8.360 nan 0.000 0.453 161 N N -0.373 118.199 118.700 -0.213 0.000 2.270 161 N HA 0.002 4.743 4.740 0.001 0.000 0.181 161 N C 1.526 176.885 175.510 -0.252 0.000 1.016 161 N CA 1.006 53.878 53.050 -0.296 0.000 0.870 161 N CB -0.141 38.081 38.487 -0.442 0.000 0.979 161 N HN 0.269 nan 8.380 nan 0.000 0.431 162 M N 0.491 119.995 119.600 -0.159 0.000 2.541 162 M HA 0.017 4.497 4.480 0.001 0.000 0.252 162 M C 1.610 177.859 176.300 -0.084 0.000 1.125 162 M CA 0.587 55.882 55.300 -0.008 0.000 1.091 162 M CB -0.593 32.001 32.600 -0.010 0.000 1.420 162 M HN 0.157 nan 8.290 nan 0.000 0.486 163 E N 1.982 122.078 120.200 -0.173 0.000 2.204 163 E HA -0.198 4.152 4.350 0.001 0.000 0.194 163 E C 1.488 177.958 176.600 -0.217 0.000 0.989 163 E CA 1.519 57.825 56.400 -0.155 0.000 0.824 163 E CB -0.602 29.019 29.700 -0.132 0.000 0.756 163 E HN 0.593 nan 8.360 nan 0.000 0.477 164 K N -0.123 120.027 120.400 -0.416 0.000 2.442 164 K HA -0.029 4.292 4.320 0.001 0.000 0.198 164 K C -0.272 176.054 176.600 -0.457 0.000 1.044 164 K CA 0.573 56.548 56.287 -0.520 0.000 0.948 164 K CB -0.366 31.704 32.500 -0.716 0.000 0.762 164 K HN 0.132 nan 8.250 nan 0.000 0.472 165 F N 1.964 121.939 119.950 0.042 0.000 2.458 165 F HA 0.280 4.808 4.527 0.001 0.000 0.330 165 F C 0.312 176.129 175.800 0.030 0.000 1.082 165 F CA -1.458 56.604 58.000 0.104 0.000 0.995 165 F CB 1.134 40.260 39.000 0.209 0.000 1.170 165 F HN 0.031 nan 8.300 nan 0.000 0.478 166 N N -0.768 118.112 118.700 0.301 0.000 2.545 166 N HA 0.428 5.169 4.740 0.001 0.000 0.289 166 N C -0.283 175.334 175.510 0.177 0.000 1.279 166 N CA -0.855 52.290 53.050 0.157 0.000 0.824 166 N CB 1.361 39.917 38.487 0.115 0.000 1.395 166 N HN 0.401 nan 8.380 nan 0.000 0.526 167 V N -3.833 116.145 119.914 0.106 0.000 3.596 167 V HA 0.277 4.397 4.120 0.001 0.000 0.289 167 V C 0.673 176.845 176.094 0.129 0.000 1.336 167 V CA -0.208 62.163 62.300 0.119 0.000 1.137 167 V CB -1.532 30.321 31.823 0.050 0.000 0.966 167 V HN 0.771 nan 8.190 nan 0.000 0.428 168 K N 1.752 122.225 120.400 0.122 0.000 2.513 168 K HA -0.090 4.230 4.320 0.001 0.000 0.275 168 K C -0.098 176.557 176.600 0.092 0.000 1.025 168 K CA 0.031 56.375 56.287 0.095 0.000 1.125 168 K CB -0.039 32.515 32.500 0.091 0.000 0.843 168 K HN 0.512 nan 8.250 nan 0.000 0.486 169 L N 5.524 126.791 121.223 0.073 0.000 2.640 169 L HA 0.094 4.434 4.340 0.001 0.000 0.280 169 L C 1.277 178.178 176.870 0.052 0.000 1.229 169 L CA 2.260 57.139 54.840 0.065 0.000 0.919 169 L CB -0.138 41.957 42.059 0.060 0.000 1.168 169 L HN 0.956 nan 8.230 nan 0.000 0.496 170 G N 2.011 110.836 108.800 0.040 0.000 2.176 170 G HA2 -0.282 3.678 3.960 0.001 0.000 0.253 170 G HA3 -0.282 3.678 3.960 0.001 0.000 0.253 170 G C 0.624 175.515 174.900 -0.015 0.000 0.979 170 G CA 0.311 45.417 45.100 0.011 0.000 0.641 170 G HN 0.868 nan 8.290 nan 0.000 0.530 171 T N 1.010 115.568 114.554 0.007 0.000 2.899 171 T HA 0.600 4.950 4.350 0.001 0.000 0.295 171 T C 0.480 175.072 174.700 -0.181 0.000 1.033 171 T CA 0.994 63.080 62.100 -0.023 0.000 1.084 171 T CB 0.969 69.887 68.868 0.083 0.000 0.979 171 T HN 1.547 nan 8.240 nan 0.000 0.532 172 S N 2.226 117.727 115.700 -0.331 0.000 2.570 172 S HA 0.805 5.276 4.470 0.001 0.000 0.270 172 S C -1.579 172.589 174.600 -0.721 0.000 1.149 172 S CA -1.092 56.699 58.200 -0.682 0.000 0.837 172 S CB 2.104 65.012 63.200 -0.486 0.000 1.124 172 S HN 0.549 nan 8.310 nan 0.000 0.465 173 K N 0.076 119.851 120.400 -1.040 0.000 2.512 173 K HA 0.648 4.969 4.320 0.001 0.000 0.263 173 K C -2.002 174.040 176.600 -0.930 0.000 0.966 173 K CA -0.463 55.364 56.287 -0.767 0.000 0.851 173 K CB 1.652 33.696 32.500 -0.761 0.000 1.395 173 K HN 0.819 nan 8.250 nan 0.000 0.440 174 H N 0.686 119.408 119.070 -0.579 0.000 2.492 174 H HA 0.548 5.105 4.556 0.001 0.000 0.345 174 H C -0.980 174.145 175.328 -0.339 0.000 1.136 174 H CA -0.325 55.421 56.048 -0.503 0.000 1.202 174 H CB 0.891 30.523 29.762 -0.218 0.000 1.524 174 H HN 0.295 nan 8.280 nan 0.000 0.506 175 F N 1.332 121.318 119.950 0.059 0.000 2.561 175 F HA 0.367 4.895 4.527 0.001 0.000 0.321 175 F C -0.878 174.878 175.800 -0.074 0.000 1.065 175 F CA -1.163 56.816 58.000 -0.035 0.000 0.934 175 F CB 1.844 40.692 39.000 -0.253 0.000 1.215 175 F HN 0.419 nan 8.300 nan 0.000 0.471 176 Y N 4.808 125.078 120.300 -0.050 0.000 2.406 176 Y HA 0.709 5.259 4.550 0.001 0.000 0.340 176 Y C -0.865 174.914 175.900 -0.201 0.000 0.975 176 Y CA -1.093 56.933 58.100 -0.124 0.000 1.056 176 Y CB 1.569 40.000 38.460 -0.049 0.000 1.210 176 Y HN 0.650 nan 8.280 nan 0.000 0.448 177 M N 3.838 123.002 119.600 -0.728 0.000 2.895 177 M HA 0.486 4.966 4.480 0.001 0.000 0.271 177 M C -2.315 173.597 176.300 -0.647 0.000 1.174 177 M CA -0.732 54.282 55.300 -0.478 0.000 0.816 177 M CB 2.088 34.497 32.600 -0.318 0.000 1.647 177 M HN 0.510 nan 8.290 nan 0.000 0.506 178 F N 2.751 122.562 119.950 -0.230 0.000 2.408 178 F HA 0.422 4.949 4.527 0.001 0.000 0.344 178 F C 0.746 176.490 175.800 -0.092 0.000 1.112 178 F CA -0.009 57.897 58.000 -0.155 0.000 1.096 178 F CB 1.183 40.136 39.000 -0.078 0.000 1.129 178 F HN 0.777 nan 8.300 nan 0.000 0.486 179 N N 0.925 119.653 118.700 0.046 0.000 2.381 179 N HA 0.059 4.799 4.740 0.001 0.000 0.289 179 N C 0.432 175.984 175.510 0.071 0.000 1.288 179 N CA -0.264 52.807 53.050 0.036 0.000 0.960 179 N CB 0.180 38.661 38.487 -0.010 0.000 1.116 179 N HN 0.414 nan 8.380 nan 0.000 0.557 180 D N -1.035 119.391 120.400 0.042 0.000 2.178 180 D HA -0.075 4.566 4.640 0.001 0.000 0.202 180 D C 0.539 176.863 176.300 0.040 0.000 0.974 180 D CA 0.950 54.973 54.000 0.038 0.000 0.841 180 D CB -0.363 40.451 40.800 0.024 0.000 0.953 180 D HN 0.500 nan 8.370 nan 0.000 0.478 181 N N 0.698 119.422 118.700 0.039 0.000 2.515 181 N HA -0.058 4.682 4.740 0.001 0.000 0.191 181 N C 0.886 176.437 175.510 0.069 0.000 1.182 181 N CA 0.978 54.052 53.050 0.040 0.000 0.879 181 N CB 0.077 38.581 38.487 0.029 0.000 0.984 181 N HN 0.281 nan 8.380 nan 0.000 0.453 182 K N -0.171 120.292 120.400 0.105 0.000 3.160 182 K HA -0.234 4.086 4.320 0.001 0.000 0.280 182 K C -0.352 176.453 176.600 0.341 0.000 1.154 182 K CA 1.428 57.822 56.287 0.178 0.000 0.822 182 K CB -2.924 29.610 32.500 0.056 0.000 1.239 182 K HN 0.668 nan 8.250 nan 0.000 0.489 183 N N 0.584 119.422 118.700 0.230 0.000 2.372 183 N HA 0.489 5.229 4.740 0.001 0.000 0.291 183 N C 0.035 175.443 175.510 -0.170 0.000 1.024 183 N CA -0.173 52.946 53.050 0.115 0.000 0.873 183 N CB 1.871 40.376 38.487 0.031 0.000 1.206 183 N HN 0.529 nan 8.380 nan 0.000 0.486 184 S N 0.677 116.052 115.700 -0.542 0.000 2.560 184 S HA 0.385 4.855 4.470 0.001 0.000 0.284 184 S C 0.200 174.461 174.600 -0.566 0.000 1.327 184 S CA -0.696 56.856 58.200 -1.079 0.000 1.055 184 S CB 0.339 62.830 63.200 -1.181 0.000 0.868 184 S HN 0.391 nan 8.310 nan 0.000 0.506 185 V N -1.266 118.298 119.914 -0.583 0.000 3.078 185 V HA 0.976 5.097 4.120 0.001 0.000 0.311 185 V C -0.216 175.703 176.094 -0.292 0.000 1.138 185 V CA -1.064 61.049 62.300 -0.313 0.000 1.007 185 V CB 1.234 32.938 31.823 -0.199 0.000 1.045 185 V HN 1.328 nan 8.190 nan 0.000 0.432 186 A N 1.992 124.736 122.820 -0.126 0.000 2.317 186 A HA 0.932 5.253 4.320 0.001 0.000 0.327 186 A C -0.653 176.908 177.584 -0.038 0.000 1.178 186 A CA -0.648 51.363 52.037 -0.043 0.000 0.817 186 A CB 1.420 20.444 19.000 0.039 0.000 1.189 186 A HN 1.398 nan 8.150 nan 0.000 0.489 187 V N 1.046 120.946 119.914 -0.023 0.000 3.007 187 V HA 0.925 5.045 4.120 0.001 0.000 0.311 187 V C 0.563 176.556 176.094 -0.167 0.000 1.120 187 V CA 0.261 62.579 62.300 0.031 0.000 0.980 187 V CB 2.101 34.039 31.823 0.192 0.000 1.033 187 V HN 1.536 nan 8.190 nan 0.000 0.429 188 G N 1.373 110.056 108.800 -0.196 0.000 2.561 188 G HA2 0.706 4.666 3.960 0.001 0.000 0.310 188 G HA3 0.706 4.666 3.960 0.001 0.000 0.310 188 G C -1.966 172.843 174.900 -0.150 0.000 1.292 188 G CA -0.209 44.516 45.100 -0.624 0.000 0.811 188 G HN 1.258 nan 8.290 nan 0.000 0.482 189 Y N -1.873 118.213 120.300 -0.357 0.000 2.597 189 Y HA 0.787 5.337 4.550 0.001 0.000 0.340 189 Y C -1.345 174.448 175.900 -0.178 0.000 1.097 189 Y CA -1.512 56.512 58.100 -0.127 0.000 1.037 189 Y CB 1.634 40.092 38.460 -0.004 0.000 1.305 189 Y HN 0.512 nan 8.280 nan 0.000 0.463 190 V N 2.393 122.282 119.914 -0.041 0.000 2.495 190 V HA 0.710 4.831 4.120 0.001 0.000 0.298 190 V C 0.445 176.651 176.094 0.187 0.000 1.031 190 V CA -0.451 61.793 62.300 -0.093 0.000 0.871 190 V CB 1.530 33.288 31.823 -0.108 0.000 0.988 190 V HN 1.134 nan 8.190 nan 0.000 0.432 191 G N 1.967 110.895 108.800 0.214 0.000 2.380 191 G HA2 0.316 4.276 3.960 0.001 0.000 0.262 191 G HA3 0.316 4.276 3.960 0.001 0.000 0.262 191 G C 0.327 175.297 174.900 0.117 0.000 1.243 191 G CA -0.174 45.073 45.100 0.244 0.000 0.865 191 G HN 0.896 nan 8.290 nan 0.000 0.513 192 C N 2.554 121.911 119.300 0.095 0.000 2.760 192 C HA 0.659 5.119 4.460 0.001 0.000 0.293 192 C C 1.606 176.637 174.990 0.068 0.000 1.383 192 C CA -0.056 59.005 59.018 0.070 0.000 1.771 192 C CB -1.568 26.204 27.740 0.054 0.000 2.353 192 C HN 1.390 nan 8.230 nan 0.000 0.578 193 G N 2.113 110.955 108.800 0.071 0.000 2.553 193 G HA2 -0.196 3.764 3.960 0.001 0.000 0.242 193 G HA3 -0.196 3.764 3.960 0.001 0.000 0.242 193 G C 0.538 175.469 174.900 0.052 0.000 1.277 193 G CA 0.407 45.544 45.100 0.062 0.000 0.910 193 G HN 1.007 nan 8.290 nan 0.000 0.576 194 S N -1.978 113.750 115.700 0.046 0.000 2.780 194 S HA 0.509 4.979 4.470 0.001 0.000 0.248 194 S C 0.169 174.792 174.600 0.039 0.000 1.036 194 S CA 0.825 59.048 58.200 0.039 0.000 1.061 194 S CB 0.784 64.004 63.200 0.034 0.000 1.037 194 S HN 1.427 nan 8.310 nan 0.000 0.584 195 V N 2.920 122.861 119.914 0.044 0.000 2.333 195 V HA 0.626 4.746 4.120 0.001 0.000 0.274 195 V C 1.379 177.503 176.094 0.050 0.000 1.028 195 V CA -0.062 62.265 62.300 0.045 0.000 0.851 195 V CB 0.437 32.288 31.823 0.047 0.000 1.000 195 V HN 0.502 nan 8.190 nan 0.000 0.456 196 A N 3.011 125.859 122.820 0.047 0.000 2.225 196 A HA 0.155 4.476 4.320 0.001 0.000 0.215 196 A C 1.079 178.698 177.584 0.059 0.000 1.164 196 A CA 1.262 53.330 52.037 0.051 0.000 0.710 196 A CB -0.696 18.331 19.000 0.044 0.000 0.780 196 A HN 0.960 nan 8.150 nan 0.000 0.473 197 D N 0.016 120.450 120.400 0.058 0.000 2.469 197 D HA 0.577 5.218 4.640 0.001 0.000 0.251 197 D C -0.533 175.807 176.300 0.067 0.000 1.173 197 D CA -0.599 53.438 54.000 0.063 0.000 0.882 197 D CB 0.392 41.224 40.800 0.054 0.000 1.129 197 D HN 0.271 nan 8.370 nan 0.000 0.549 198 L N 2.020 123.292 121.223 0.080 0.000 2.367 198 L HA 0.407 4.747 4.340 0.001 0.000 0.275 198 L C 1.580 178.494 176.870 0.073 0.000 1.129 198 L CA -0.649 54.243 54.840 0.087 0.000 0.839 198 L CB 1.385 43.514 42.059 0.116 0.000 1.133 198 L HN 0.624 nan 8.230 nan 0.000 0.453 199 S N 1.940 117.680 115.700 0.067 0.000 2.600 199 S HA 0.005 4.476 4.470 0.001 0.000 0.265 199 S C 1.134 175.754 174.600 0.034 0.000 1.325 199 S CA -0.333 57.894 58.200 0.045 0.000 1.002 199 S CB 1.154 64.393 63.200 0.064 0.000 0.921 199 S HN 0.786 nan 8.310 nan 0.000 0.554 200 E N 1.728 121.890 120.200 -0.062 0.000 2.114 200 E HA -0.264 4.087 4.350 0.001 0.000 0.199 200 E C 1.937 178.607 176.600 0.117 0.000 1.008 200 E CA 1.943 58.241 56.400 -0.171 0.000 0.810 200 E CB -0.871 28.601 29.700 -0.380 0.000 0.739 200 E HN 0.820 nan 8.360 nan 0.000 0.456 201 A N 1.266 124.156 122.820 0.117 0.000 1.930 201 A HA -0.169 4.152 4.320 0.001 0.000 0.217 201 A C 1.887 179.558 177.584 0.144 0.000 1.175 201 A CA 1.658 53.786 52.037 0.152 0.000 0.627 201 A CB -0.435 18.646 19.000 0.135 0.000 0.815 201 A HN 0.274 nan 8.150 nan 0.000 0.443 202 D N -0.718 119.756 120.400 0.124 0.000 2.104 202 D HA -0.175 4.465 4.640 0.001 0.000 0.194 202 D C 1.793 178.181 176.300 0.147 0.000 0.994 202 D CA 1.785 55.854 54.000 0.116 0.000 0.830 202 D CB -0.396 40.464 40.800 0.101 0.000 0.959 202 D HN 0.394 nan 8.370 nan 0.000 0.452 203 M N 0.889 120.611 119.600 0.204 0.000 2.159 203 M HA -0.123 4.357 4.480 0.001 0.000 0.263 203 M C 1.853 178.300 176.300 0.244 0.000 1.063 203 M CA 1.519 56.986 55.300 0.278 0.000 1.110 203 M CB -0.171 32.686 32.600 0.428 0.000 1.374 203 M HN -0.157 nan 8.290 nan 0.000 0.411 204 K N -0.599 119.962 120.400 0.269 0.000 2.057 204 K HA -0.184 4.137 4.320 0.001 0.000 0.207 204 K C 2.242 178.884 176.600 0.070 0.000 1.049 204 K CA 1.629 58.002 56.287 0.143 0.000 0.931 204 K CB -0.207 32.409 32.500 0.193 0.000 0.714 204 K HN 0.320 nan 8.250 nan 0.000 0.440 205 R N -0.013 120.539 120.500 0.087 0.000 2.083 205 R HA -0.127 4.213 4.340 0.001 0.000 0.237 205 R C 2.135 178.454 176.300 0.031 0.000 1.137 205 R CA 1.737 57.869 56.100 0.054 0.000 0.951 205 R CB -0.334 30.003 30.300 0.063 0.000 0.851 205 R HN 0.074 nan 8.270 nan 0.000 0.434 206 V N 0.018 119.965 119.914 0.055 0.000 2.287 206 V HA -0.268 3.852 4.120 0.001 0.000 0.248 206 V C 2.303 178.394 176.094 -0.004 0.000 1.053 206 V CA 1.871 64.195 62.300 0.041 0.000 1.027 206 V CB -0.411 31.467 31.823 0.091 0.000 0.646 206 V HN 0.186 nan 8.190 nan 0.000 0.447 207 V N -0.584 119.314 119.914 -0.028 0.000 2.295 207 V HA -0.232 3.888 4.120 0.001 0.000 0.246 207 V C 2.379 178.379 176.094 -0.158 0.000 1.049 207 V CA 1.680 63.882 62.300 -0.163 0.000 1.024 207 V CB -0.600 31.050 31.823 -0.288 0.000 0.648 207 V HN 0.381 nan 8.190 nan 0.000 0.447 208 L N 0.079 121.245 121.223 -0.094 0.000 2.079 208 L HA -0.155 4.185 4.340 0.001 0.000 0.210 208 L C 2.599 179.414 176.870 -0.092 0.000 1.081 208 L CA 1.969 56.763 54.840 -0.077 0.000 0.752 208 L CB -1.241 40.803 42.059 -0.025 0.000 0.896 208 L HN 0.285 nan 8.230 nan 0.000 0.433 209 S N -0.717 114.933 115.700 -0.084 0.000 2.355 209 S HA -0.142 4.329 4.470 0.001 0.000 0.222 209 S C 1.875 176.384 174.600 -0.151 0.000 1.031 209 S CA 0.985 59.123 58.200 -0.103 0.000 0.993 209 S CB -0.451 62.690 63.200 -0.098 0.000 0.859 209 S HN 0.318 nan 8.310 nan 0.000 0.453 210 L N 2.188 123.312 121.223 -0.165 0.000 2.043 210 L HA -0.078 4.262 4.340 0.001 0.000 0.212 210 L C 2.174 178.883 176.870 -0.268 0.000 1.075 210 L CA 1.645 56.360 54.840 -0.208 0.000 0.752 210 L CB -0.839 41.112 42.059 -0.180 0.000 0.891 210 L HN 0.140 nan 8.230 nan 0.000 0.432 211 V N -0.260 119.480 119.914 -0.291 0.000 2.407 211 V HA -0.298 3.822 4.120 0.001 0.000 0.248 211 V C 2.713 178.573 176.094 -0.389 0.000 1.055 211 V CA 2.054 64.111 62.300 -0.405 0.000 1.049 211 V CB -1.323 30.289 31.823 -0.350 0.000 0.662 211 V HN 0.787 nan 8.190 nan 0.000 0.455 212 T N -1.926 112.509 114.554 -0.198 0.000 2.881 212 T HA -0.211 4.139 4.350 0.001 0.000 0.270 212 T C 1.694 176.364 174.700 -0.051 0.000 1.068 212 T CA 1.646 63.700 62.100 -0.077 0.000 1.131 212 T CB -0.419 68.432 68.868 -0.028 0.000 0.871 212 T HN 0.429 nan 8.240 nan 0.000 0.479 213 M N 0.257 119.799 119.600 -0.097 0.000 2.394 213 M HA 0.232 4.712 4.480 0.001 0.000 0.264 213 M C 2.046 178.323 176.300 -0.039 0.000 1.073 213 M CA 1.052 56.342 55.300 -0.017 0.000 1.111 213 M CB -0.419 32.098 32.600 -0.138 0.000 1.401 213 M HN 0.225 nan 8.290 nan 0.000 0.448 214 L N -1.416 119.708 121.223 -0.166 0.000 2.249 214 L HA 0.021 4.361 4.340 0.001 0.000 0.207 214 L C 0.804 177.690 176.870 0.028 0.000 1.090 214 L CA 0.053 54.797 54.840 -0.162 0.000 0.802 214 L CB -0.387 41.392 42.059 -0.466 0.000 0.947 214 L HN 0.214 nan 8.230 nan 0.000 0.453 215 H N 1.052 120.118 119.070 -0.007 0.000 2.707 215 H HA 0.015 4.572 4.556 0.001 0.000 0.359 215 H C 0.146 175.455 175.328 -0.033 0.000 1.113 215 H CA -0.356 55.685 56.048 -0.012 0.000 1.422 215 H CB 0.388 30.141 29.762 -0.016 0.000 1.443 215 H HN 0.109 nan 8.280 nan 0.000 0.591 216 D N 0.507 120.950 120.400 0.073 0.000 2.811 216 D HA -0.243 4.397 4.640 0.001 0.000 0.231 216 D C -0.391 175.902 176.300 -0.011 0.000 1.157 216 D CA 0.725 54.726 54.000 0.002 0.000 0.716 216 D CB -0.962 39.833 40.800 -0.008 0.000 1.077 216 D HN 0.470 nan 8.370 nan 0.000 0.428 217 N N 0.582 119.284 118.700 0.004 0.000 2.519 217 N HA 0.116 4.857 4.740 0.001 0.000 0.291 217 N C -1.149 174.365 175.510 0.007 0.000 1.107 217 N CA -0.434 52.610 53.050 -0.009 0.000 0.904 217 N CB 1.091 39.569 38.487 -0.015 0.000 1.500 217 N HN -0.102 nan 8.380 nan 0.000 0.510 218 K N 3.538 123.938 120.400 -0.001 0.000 2.220 218 K HA 0.345 4.666 4.320 0.001 0.000 0.283 218 K C -0.458 176.155 176.600 0.022 0.000 1.098 218 K CA -0.034 56.258 56.287 0.008 0.000 0.928 218 K CB 0.501 33.001 32.500 -0.001 0.000 1.214 218 K HN 0.403 nan 8.250 nan 0.000 0.442 219 L N 1.109 122.355 121.223 0.039 0.000 2.354 219 L HA 0.249 4.589 4.340 0.001 0.000 0.269 219 L C 1.140 178.054 176.870 0.074 0.000 1.005 219 L CA -0.400 54.468 54.840 0.048 0.000 0.819 219 L CB 2.085 44.168 42.059 0.040 0.000 1.311 219 L HN 0.513 nan 8.230 nan 0.000 0.423 220 S N -0.007 115.742 115.700 0.083 0.000 2.511 220 S HA 0.175 4.646 4.470 0.001 0.000 0.214 220 S C 0.240 174.941 174.600 0.169 0.000 0.997 220 S CA -0.111 58.162 58.200 0.122 0.000 0.908 220 S CB 0.220 63.496 63.200 0.127 0.000 0.803 220 S HN 0.608 nan 8.310 nan 0.000 0.504 221 K N 0.137 120.614 120.400 0.128 0.000 2.543 221 K HA 0.557 4.877 4.320 0.001 0.000 0.255 221 K C -2.300 174.347 176.600 0.077 0.000 0.934 221 K CA -0.878 55.492 56.287 0.139 0.000 0.810 221 K CB 1.777 34.354 32.500 0.128 0.000 1.315 221 K HN 0.157 nan 8.250 nan 0.000 0.433 222 L N 2.344 123.611 121.223 0.074 0.000 2.346 222 L HA 0.621 4.962 4.340 0.001 0.000 0.276 222 L C -1.331 175.573 176.870 0.057 0.000 1.006 222 L CA 0.216 55.071 54.840 0.025 0.000 0.817 222 L CB 2.281 44.325 42.059 -0.024 0.000 1.272 222 L HN 0.678 nan 8.230 nan 0.000 0.421 223 T N 4.058 118.631 114.554 0.031 0.000 2.824 223 T HA 0.654 5.004 4.350 0.001 0.000 0.282 223 T C -0.970 173.728 174.700 -0.003 0.000 0.993 223 T CA -0.408 61.736 62.100 0.072 0.000 0.967 223 T CB 1.566 70.498 68.868 0.107 0.000 0.960 223 T HN 0.358 nan 8.240 nan 0.000 0.441 224 V N 3.717 123.665 119.914 0.056 0.000 2.448 224 V HA 0.478 4.599 4.120 0.001 0.000 0.295 224 V C -0.263 175.834 176.094 0.004 0.000 1.025 224 V CA -0.795 61.480 62.300 -0.041 0.000 0.859 224 V CB 1.778 33.605 31.823 0.007 0.000 0.988 224 V HN 0.715 nan 8.190 nan 0.000 0.431 225 V N 5.290 125.075 119.914 -0.215 0.000 2.347 225 V HA 0.422 4.542 4.120 0.001 0.000 0.280 225 V C -0.438 175.609 176.094 -0.079 0.000 1.021 225 V CA -0.455 61.775 62.300 -0.116 0.000 0.847 225 V CB 1.113 32.646 31.823 -0.484 0.000 0.990 225 V HN 0.660 nan 8.190 nan 0.000 0.444 226 F N 3.426 123.338 119.950 -0.064 0.000 2.434 226 F HA 0.295 4.823 4.527 0.001 0.000 0.358 226 F C 1.358 177.156 175.800 -0.003 0.000 1.136 226 F CA -0.049 57.903 58.000 -0.080 0.000 1.157 226 F CB 0.548 39.453 39.000 -0.159 0.000 1.167 226 F HN 0.553 nan 8.300 nan 0.000 0.539 227 E N 4.739 125.008 120.200 0.115 0.000 2.496 227 E HA 0.190 4.541 4.350 0.001 0.000 0.202 227 E C -0.082 176.573 176.600 0.091 0.000 1.021 227 E CA 0.016 56.488 56.400 0.120 0.000 1.015 227 E CB 0.280 30.059 29.700 0.132 0.000 1.102 227 E HN 0.581 nan 8.360 nan 0.000 0.452 228 I N -3.403 117.233 120.570 0.110 0.000 3.067 228 I HA 0.427 4.598 4.170 0.001 0.000 0.312 228 I C -0.288 175.912 176.117 0.138 0.000 1.073 228 I CA -1.148 60.215 61.300 0.106 0.000 1.016 228 I CB 1.785 39.837 38.000 0.087 0.000 1.227 228 I HN -0.262 nan 8.210 nan 0.000 0.456 229 N N 2.200 120.967 118.700 0.111 0.000 2.434 229 N HA 0.526 5.266 4.740 0.001 0.000 0.272 229 N C -1.234 174.350 175.510 0.123 0.000 1.040 229 N CA -0.263 52.849 53.050 0.103 0.000 0.956 229 N CB 1.952 40.486 38.487 0.080 0.000 1.108 229 N HN 0.589 nan 8.380 nan 0.000 0.481 230 V N 0.264 120.249 119.914 0.118 0.000 2.686 230 V HA 0.406 4.526 4.120 0.001 0.000 0.306 230 V C -0.401 175.804 176.094 0.186 0.000 1.065 230 V CA -1.167 61.222 62.300 0.149 0.000 0.894 230 V CB 1.670 33.603 31.823 0.182 0.000 1.004 230 V HN 0.614 nan 8.190 nan 0.000 0.424 231 D N 3.254 123.757 120.400 0.171 0.000 2.384 231 D HA 0.233 4.873 4.640 0.001 0.000 0.244 231 D C 0.850 177.296 176.300 0.243 0.000 1.251 231 D CA -0.209 53.887 54.000 0.159 0.000 0.961 231 D CB 0.886 41.735 40.800 0.082 0.000 1.116 231 D HN 0.581 nan 8.370 nan 0.000 0.484 232 K N -0.615 119.856 120.400 0.118 0.000 2.057 232 K HA -0.115 4.205 4.320 0.001 0.000 0.207 232 K C 1.706 178.437 176.600 0.218 0.000 1.049 232 K CA 1.206 57.569 56.287 0.126 0.000 0.931 232 K CB -0.163 32.276 32.500 -0.101 0.000 0.714 232 K HN 0.333 nan 8.250 nan 0.000 0.440 233 N N 0.969 119.753 118.700 0.140 0.000 2.166 233 N HA -0.159 4.581 4.740 0.001 0.000 0.186 233 N C 1.700 177.332 175.510 0.203 0.000 1.019 233 N CA 0.917 54.051 53.050 0.140 0.000 0.856 233 N CB -0.177 38.358 38.487 0.079 0.000 0.993 233 N HN 0.064 nan 8.380 nan 0.000 0.426 234 L N 0.020 121.372 121.223 0.215 0.000 2.156 234 L HA 0.060 4.400 4.340 0.001 0.000 0.208 234 L C 1.950 179.042 176.870 0.370 0.000 1.095 234 L CA 0.965 55.969 54.840 0.272 0.000 0.770 234 L CB -0.658 41.526 42.059 0.209 0.000 0.914 234 L HN -0.000 nan 8.230 nan 0.000 0.439 235 F N 0.276 120.330 119.950 0.173 0.000 2.134 235 F HA -0.201 4.326 4.527 0.001 0.000 0.299 235 F C 2.717 178.615 175.800 0.164 0.000 1.097 235 F CA 1.855 59.902 58.000 0.080 0.000 1.264 235 F CB -0.290 38.686 39.000 -0.040 0.000 1.001 235 F HN 0.033 nan 8.300 nan 0.000 0.479 236 R N -0.716 119.891 120.500 0.179 0.000 2.092 236 R HA -0.206 4.134 4.340 0.001 0.000 0.231 236 R C 2.379 178.695 176.300 0.027 0.000 1.119 236 R CA 1.741 57.859 56.100 0.031 0.000 0.970 236 R CB -0.813 29.541 30.300 0.089 0.000 0.864 236 R HN 0.417 nan 8.270 nan 0.000 0.440 237 F N 0.642 120.603 119.950 0.018 0.000 2.134 237 F HA -0.200 4.328 4.527 0.001 0.000 0.299 237 F C 1.853 177.638 175.800 -0.025 0.000 1.097 237 F CA 1.402 59.414 58.000 0.021 0.000 1.264 237 F CB -0.600 38.438 39.000 0.063 0.000 1.001 237 F HN 0.038 nan 8.300 nan 0.000 0.479 238 F N 0.602 120.499 119.950 -0.088 0.000 2.065 238 F HA -0.282 4.246 4.527 0.001 0.000 0.298 238 F C 1.769 177.304 175.800 -0.443 0.000 1.112 238 F CA 2.028 59.896 58.000 -0.220 0.000 1.212 238 F CB -0.684 38.300 39.000 -0.028 0.000 0.975 238 F HN -0.018 nan 8.300 nan 0.000 0.476 239 L N 0.660 121.566 121.223 -0.530 0.000 2.027 239 L HA -0.169 4.171 4.340 0.001 0.000 0.206 239 L C 2.365 178.584 176.870 -1.085 0.000 1.074 239 L CA 1.909 56.180 54.840 -0.948 0.000 0.745 239 L CB -1.178 40.374 42.059 -0.844 0.000 0.898 239 L HN 0.166 nan 8.230 nan 0.000 0.433 240 E N -0.937 118.930 120.200 -0.554 0.000 2.058 240 E HA -0.225 4.125 4.350 0.001 0.000 0.194 240 E C 2.039 178.507 176.600 -0.221 0.000 0.997 240 E CA 1.954 58.234 56.400 -0.200 0.000 0.801 240 E CB -0.193 29.475 29.700 -0.052 0.000 0.746 240 E HN 0.480 nan 8.360 nan 0.000 0.450 241 T N 1.276 115.537 114.554 -0.488 0.000 2.777 241 T HA -0.122 4.228 4.350 0.001 0.000 0.266 241 T C 1.829 176.316 174.700 -0.354 0.000 1.040 241 T CA 0.766 62.591 62.100 -0.458 0.000 1.141 241 T CB -0.202 68.195 68.868 -0.784 0.000 0.868 241 T HN 0.041 nan 8.240 nan 0.000 0.444 242 L N 0.709 121.567 121.223 -0.608 0.000 1.994 242 L HA -0.008 4.332 4.340 0.001 0.000 0.208 242 L C 1.957 178.704 176.870 -0.204 0.000 1.071 242 L CA 1.816 56.328 54.840 -0.547 0.000 0.745 242 L CB -0.910 40.626 42.059 -0.872 0.000 0.892 242 L HN 0.092 nan 8.230 nan 0.000 0.431 243 F N -0.971 118.806 119.950 -0.288 0.000 2.095 243 F HA -0.240 4.287 4.527 0.001 0.000 0.298 243 F C 2.563 178.209 175.800 -0.257 0.000 1.104 243 F CA 1.581 59.335 58.000 -0.410 0.000 1.232 243 F CB -1.625 36.925 39.000 -0.751 0.000 0.987 243 F HN 0.219 nan 8.300 nan 0.000 0.475 244 Y N 1.062 121.438 120.300 0.126 0.000 2.220 244 Y HA -0.134 4.416 4.550 0.001 0.000 0.291 244 Y C 2.292 178.263 175.900 0.118 0.000 1.129 244 Y CA 1.577 59.825 58.100 0.247 0.000 1.161 244 Y CB -0.233 38.364 38.460 0.228 0.000 0.997 244 Y HN -0.060 nan 8.280 nan 0.000 0.522 245 E N -0.812 119.454 120.200 0.110 0.000 2.150 245 E HA -0.212 4.139 4.350 0.001 0.000 0.193 245 E C 1.864 178.499 176.600 0.059 0.000 0.985 245 E CA 0.954 57.368 56.400 0.024 0.000 0.814 245 E CB -0.678 29.027 29.700 0.009 0.000 0.752 245 E HN 0.567 nan 8.360 nan 0.000 0.466 246 Y N 0.896 121.141 120.300 -0.092 0.000 2.314 246 Y HA 0.004 4.555 4.550 0.001 0.000 0.293 246 Y C 0.996 176.955 175.900 0.097 0.000 1.129 246 Y CA 0.221 58.299 58.100 -0.036 0.000 1.201 246 Y CB -0.083 38.355 38.460 -0.036 0.000 0.999 246 Y HN -0.035 nan 8.280 nan 0.000 0.541 247 M N 1.124 120.723 119.600 -0.002 0.000 2.219 247 M HA 0.191 4.671 4.480 0.001 0.000 0.353 247 M C -0.653 175.596 176.300 -0.086 0.000 1.304 247 M CA 0.609 55.814 55.300 -0.159 0.000 1.115 247 M CB 0.449 32.769 32.600 -0.467 0.000 1.664 247 M HN -0.003 nan 8.290 nan 0.000 0.459 248 T N 4.000 118.564 114.554 0.017 0.000 2.779 248 T HA 0.242 4.592 4.350 0.001 0.000 0.280 248 T C -1.022 173.715 174.700 0.061 0.000 0.987 248 T CA -0.566 61.549 62.100 0.025 0.000 0.966 248 T CB 0.696 69.559 68.868 -0.009 0.000 0.933 248 T HN 0.563 nan 8.240 nan 0.000 0.442 249 D N 2.685 123.141 120.400 0.093 0.000 2.393 249 D HA 0.103 4.743 4.640 0.001 0.000 0.232 249 D C 0.545 176.876 176.300 0.051 0.000 1.192 249 D CA -0.197 53.876 54.000 0.123 0.000 0.882 249 D CB 0.618 41.496 40.800 0.129 0.000 1.038 249 D HN 0.521 nan 8.370 nan 0.000 0.499 250 E N 2.658 122.866 120.200 0.013 0.000 2.499 250 E HA 0.095 4.445 4.350 0.001 0.000 0.199 250 E C 1.360 177.900 176.600 -0.101 0.000 1.016 250 E CA -0.185 56.204 56.400 -0.019 0.000 0.933 250 E CB 0.591 30.282 29.700 -0.015 0.000 1.050 250 E HN 0.376 nan 8.360 nan 0.000 0.462 251 R N -0.212 120.155 120.500 -0.222 0.000 2.159 251 R HA -0.086 4.254 4.340 0.001 0.000 0.237 251 R C 0.943 176.833 176.300 -0.684 0.000 1.131 251 R CA 1.226 57.014 56.100 -0.521 0.000 0.982 251 R CB -0.014 29.794 30.300 -0.821 0.000 0.868 251 R HN 0.148 nan 8.270 nan 0.000 0.453 252 F N 0.271 120.151 119.950 -0.116 0.000 2.653 252 F HA 0.203 4.731 4.527 0.001 0.000 0.304 252 F C 0.415 176.184 175.800 -0.052 0.000 1.092 252 F CA -0.370 57.560 58.000 -0.116 0.000 1.279 252 F CB 0.437 39.343 39.000 -0.156 0.000 1.044 252 F HN -0.378 nan 8.300 nan 0.000 0.564 253 K N 0.519 120.952 120.400 0.056 0.000 2.218 253 K HA 0.277 4.597 4.320 0.001 0.000 0.276 253 K C 0.820 177.431 176.600 0.018 0.000 1.022 253 K CA 0.116 56.425 56.287 0.038 0.000 0.946 253 K CB 1.902 34.409 32.500 0.012 0.000 1.000 253 K HN 0.091 nan 8.250 nan 0.000 0.468 254 S N 0.721 116.437 115.700 0.027 0.000 3.730 254 S HA -0.073 4.398 4.470 0.001 0.000 0.218 254 S C 1.420 176.028 174.600 0.013 0.000 1.053 254 S CA 0.664 58.876 58.200 0.020 0.000 0.878 254 S CB -0.258 62.963 63.200 0.036 0.000 1.064 254 S HN 0.662 nan 8.310 nan 0.000 0.583 255 T N -1.259 113.305 114.554 0.016 0.000 3.088 255 T HA 0.285 4.635 4.350 0.001 0.000 0.259 255 T C 0.839 175.542 174.700 0.005 0.000 1.122 255 T CA 1.422 63.528 62.100 0.010 0.000 1.095 255 T CB -0.493 68.382 68.868 0.011 0.000 0.930 255 T HN 0.457 nan 8.240 nan 0.000 0.508 256 D N 0.944 121.348 120.400 0.006 0.000 2.670 256 D HA 0.308 4.949 4.640 0.001 0.000 0.255 256 D C 0.240 176.536 176.300 -0.007 0.000 1.286 256 D CA -0.646 53.354 54.000 0.000 0.000 0.830 256 D CB -0.242 40.561 40.800 0.005 0.000 1.065 256 D HN 0.427 nan 8.370 nan 0.000 0.486 257 K N 0.774 121.169 120.400 -0.009 0.000 2.414 257 K HA 0.131 4.451 4.320 0.001 0.000 0.272 257 K C 0.079 176.661 176.600 -0.029 0.000 0.993 257 K CA -0.585 55.691 56.287 -0.019 0.000 0.964 257 K CB 0.702 33.192 32.500 -0.017 0.000 0.925 257 K HN 0.239 nan 8.250 nan 0.000 0.487 258 N N 2.488 121.161 118.700 -0.045 0.000 2.399 258 N HA -0.016 4.724 4.740 0.001 0.000 0.259 258 N C 0.657 176.133 175.510 -0.057 0.000 1.160 258 N CA 0.118 53.130 53.050 -0.063 0.000 0.946 258 N CB 0.726 39.154 38.487 -0.099 0.000 1.156 258 N HN 0.563 nan 8.380 nan 0.000 0.489 259 V N 2.228 122.115 119.914 -0.045 0.000 3.241 259 V HA -0.197 3.923 4.120 0.001 0.000 0.269 259 V C 1.768 177.836 176.094 -0.043 0.000 1.151 259 V CA 2.439 64.717 62.300 -0.036 0.000 1.158 259 V CB -1.406 30.401 31.823 -0.027 0.000 0.764 259 V HN 0.808 nan 8.190 nan 0.000 0.508 260 N N -1.308 117.356 118.700 -0.061 0.000 2.250 260 N HA 0.495 5.235 4.740 0.001 0.000 0.190 260 N C 1.152 176.605 175.510 -0.095 0.000 1.116 260 N CA 0.870 53.881 53.050 -0.066 0.000 0.881 260 N CB -0.085 38.365 38.487 -0.063 0.000 1.006 260 N HN 1.038 nan 8.380 nan 0.000 0.491 261 M N 1.403 120.924 119.600 -0.132 0.000 2.356 261 M HA 0.577 5.057 4.480 0.001 0.000 0.348 261 M C 0.392 176.571 176.300 -0.202 0.000 1.595 261 M CA 0.110 55.273 55.300 -0.227 0.000 1.095 261 M CB -1.872 30.563 32.600 -0.275 0.000 1.963 261 M HN 0.857 nan 8.290 nan 0.000 0.459 262 E N 2.743 122.810 120.200 -0.221 0.000 2.293 262 E HA 0.728 5.078 4.350 0.001 0.000 0.270 262 E C -1.745 174.739 176.600 -0.194 0.000 0.879 262 E CA -0.675 55.661 56.400 -0.107 0.000 0.756 262 E CB 1.318 31.002 29.700 -0.027 0.000 1.208 262 E HN 0.909 nan 8.360 nan 0.000 0.428 263 Y N 0.309 120.576 120.300 -0.055 0.000 2.420 263 Y HA 0.489 5.039 4.550 0.001 0.000 0.334 263 Y C 1.308 177.241 175.900 0.056 0.000 1.094 263 Y CA -1.046 57.025 58.100 -0.050 0.000 1.126 263 Y CB 1.565 39.891 38.460 -0.223 0.000 1.217 263 Y HN 0.761 nan 8.280 nan 0.000 0.462 264 I N 0.472 121.244 120.570 0.336 0.000 2.948 264 I HA 0.047 4.218 4.170 0.001 0.000 0.290 264 I C 0.375 176.555 176.117 0.105 0.000 1.226 264 I CA -0.214 61.209 61.300 0.204 0.000 1.413 264 I CB 0.772 38.885 38.000 0.188 0.000 1.352 264 I HN 0.589 nan 8.210 nan 0.000 0.597 265 K N 2.717 123.122 120.400 0.007 0.000 2.360 265 K HA 0.262 4.582 4.320 0.001 0.000 0.196 265 K C -0.226 176.058 176.600 -0.526 0.000 1.049 265 K CA 0.323 56.465 56.287 -0.242 0.000 1.049 265 K CB 0.198 32.518 32.500 -0.299 0.000 0.881 265 K HN 0.687 nan 8.250 nan 0.000 0.542 266 H N -0.035 119.070 119.070 0.058 0.000 2.865 266 H HA 0.299 4.855 4.556 0.001 0.000 0.362 266 H C -1.326 174.043 175.328 0.068 0.000 1.114 266 H CA -1.007 55.075 56.048 0.056 0.000 1.208 266 H CB 2.227 32.023 29.762 0.057 0.000 1.727 266 H HN -0.135 nan 8.280 nan 0.000 0.534 267 L N 2.004 123.335 121.223 0.181 0.000 2.343 267 L HA 0.573 4.913 4.340 0.001 0.000 0.278 267 L C -0.070 176.880 176.870 0.134 0.000 0.996 267 L CA -0.189 54.740 54.840 0.149 0.000 0.831 267 L CB 1.454 43.607 42.059 0.157 0.000 1.232 267 L HN 0.774 nan 8.230 nan 0.000 0.413 268 G N 4.293 113.180 108.800 0.145 0.000 2.356 268 G HA2 0.608 4.568 3.960 0.001 0.000 0.322 268 G HA3 0.608 4.568 3.960 0.001 0.000 0.322 268 G C -1.462 173.518 174.900 0.133 0.000 1.125 268 G CA -0.434 44.754 45.100 0.146 0.000 0.885 268 G HN 0.490 nan 8.290 nan 0.000 0.467 269 V N 2.263 122.194 119.914 0.028 0.000 2.577 269 V HA 0.389 4.509 4.120 0.001 0.000 0.303 269 V C -1.314 174.789 176.094 0.015 0.000 1.042 269 V CA -0.804 61.570 62.300 0.123 0.000 0.872 269 V CB 1.446 33.379 31.823 0.184 0.000 0.998 269 V HN 0.689 nan 8.190 nan 0.000 0.423 270 Y N 5.020 125.416 120.300 0.160 0.000 2.335 270 Y HA 0.792 5.343 4.550 0.001 0.000 0.338 270 Y C -0.028 175.915 175.900 0.071 0.000 0.977 270 Y CA -0.513 57.663 58.100 0.127 0.000 1.114 270 Y CB 1.918 40.438 38.460 0.100 0.000 1.182 270 Y HN 0.587 nan 8.280 nan 0.000 0.463 271 I N 2.218 122.840 120.570 0.087 0.000 2.918 271 I HA 0.342 4.512 4.170 0.001 0.000 0.301 271 I C -1.271 174.808 176.117 -0.063 0.000 1.312 271 I CA -0.809 60.422 61.300 -0.114 0.000 1.007 271 I CB 1.939 39.559 38.000 -0.635 0.000 1.281 271 I HN 0.588 nan 8.210 nan 0.000 0.440 272 N N 4.118 122.789 118.700 -0.047 0.000 2.479 272 N HA 0.213 4.953 4.740 0.001 0.000 0.257 272 N C -0.432 175.111 175.510 0.056 0.000 1.232 272 N CA 0.472 53.535 53.050 0.021 0.000 0.920 272 N CB 0.268 38.779 38.487 0.039 0.000 1.105 272 N HN 0.622 nan 8.380 nan 0.000 0.444 273 N N 0.805 119.542 118.700 0.062 0.000 2.725 273 N HA -0.243 4.497 4.740 0.001 0.000 0.251 273 N C 0.399 175.963 175.510 0.091 0.000 1.031 273 N CA 0.680 53.766 53.050 0.061 0.000 0.720 273 N CB -1.398 37.118 38.487 0.048 0.000 0.930 273 N HN 0.625 nan 8.380 nan 0.000 0.543 274 A N 0.403 123.251 122.820 0.046 0.000 1.927 274 A HA -0.237 4.084 4.320 0.001 0.000 0.220 274 A C 1.862 179.438 177.584 -0.012 0.000 1.185 274 A CA 2.024 54.064 52.037 0.005 0.000 0.639 274 A CB -0.166 18.811 19.000 -0.039 0.000 0.820 274 A HN 0.378 nan 8.150 nan 0.000 0.451 275 D N -0.668 119.714 120.400 -0.030 0.000 2.182 275 D HA -0.126 4.514 4.640 0.001 0.000 0.201 275 D C 2.187 178.428 176.300 -0.098 0.000 0.986 275 D CA 1.959 55.926 54.000 -0.054 0.000 0.847 275 D CB -0.470 40.304 40.800 -0.043 0.000 0.942 275 D HN 0.683 nan 8.370 nan 0.000 0.467 276 T N -2.790 111.666 114.554 -0.163 0.000 3.088 276 T HA -0.089 4.261 4.350 0.001 0.000 0.259 276 T C 1.681 176.121 174.700 -0.433 0.000 1.122 276 T CA 0.453 62.374 62.100 -0.299 0.000 1.095 276 T CB -0.336 68.297 68.868 -0.391 0.000 0.930 276 T HN 0.119 nan 8.240 nan 0.000 0.508 277 Y N 1.033 121.171 120.300 -0.269 0.000 2.497 277 Y HA 0.443 4.993 4.550 0.001 0.000 0.265 277 Y C 2.422 178.197 175.900 -0.207 0.000 1.111 277 Y CA -0.355 57.501 58.100 -0.406 0.000 1.288 277 Y CB 0.132 38.020 38.460 -0.954 0.000 1.082 277 Y HN 0.128 nan 8.280 nan 0.000 0.536 278 K N 0.564 120.950 120.400 -0.023 0.000 2.063 278 K HA -0.228 4.092 4.320 0.001 0.000 0.208 278 K C 2.349 178.974 176.600 0.041 0.000 1.048 278 K CA 1.666 57.960 56.287 0.011 0.000 0.928 278 K CB -0.180 32.303 32.500 -0.029 0.000 0.713 278 K HN 0.448 nan 8.250 nan 0.000 0.442 279 E N 1.754 121.957 120.200 0.006 0.000 2.209 279 E HA -0.218 4.132 4.350 0.001 0.000 0.196 279 E C 1.648 178.273 176.600 0.042 0.000 0.993 279 E CA 1.421 57.826 56.400 0.007 0.000 0.819 279 E CB -0.496 29.187 29.700 -0.028 0.000 0.745 279 E HN 0.321 nan 8.360 nan 0.000 0.477 280 E N 0.043 120.306 120.200 0.106 0.000 2.347 280 E HA -0.031 4.320 4.350 0.001 0.000 0.196 280 E C 2.275 178.966 176.600 0.151 0.000 1.008 280 E CA 0.855 57.347 56.400 0.153 0.000 0.852 280 E CB -0.045 29.868 29.700 0.354 0.000 0.783 280 E HN 0.483 nan 8.360 nan 0.000 0.505 281 V N 1.863 121.888 119.914 0.184 0.000 2.270 281 V HA -0.207 3.914 4.120 0.001 0.000 0.245 281 V C 2.169 178.356 176.094 0.154 0.000 1.043 281 V CA 1.696 64.100 62.300 0.173 0.000 1.014 281 V CB -0.276 31.648 31.823 0.169 0.000 0.645 281 V HN 0.153 nan 8.190 nan 0.000 0.447 282 E N -0.184 120.083 120.200 0.112 0.000 2.285 282 E HA -0.150 4.200 4.350 0.001 0.000 0.194 282 E C 2.095 178.757 176.600 0.102 0.000 0.997 282 E CA 0.605 57.072 56.400 0.112 0.000 0.845 282 E CB -0.164 29.584 29.700 0.080 0.000 0.782 282 E HN 0.554 nan 8.360 nan 0.000 0.491 283 K N 1.002 121.421 120.400 0.031 0.000 2.026 283 K HA -0.109 4.211 4.320 0.001 0.000 0.208 283 K C 2.097 178.644 176.600 -0.089 0.000 1.048 283 K CA 1.230 57.464 56.287 -0.088 0.000 0.929 283 K CB -0.058 32.318 32.500 -0.207 0.000 0.713 283 K HN 0.050 nan 8.250 nan 0.000 0.439 284 A N 1.367 124.190 122.820 0.005 0.000 1.917 284 A HA -0.240 4.080 4.320 0.001 0.000 0.219 284 A C 2.121 179.938 177.584 0.390 0.000 1.182 284 A CA 1.962 54.072 52.037 0.121 0.000 0.633 284 A CB -0.602 18.400 19.000 0.004 0.000 0.819 284 A HN 0.399 nan 8.150 nan 0.000 0.448 285 R N -0.631 120.119 120.500 0.417 0.000 2.081 285 R HA -0.072 4.269 4.340 0.001 0.000 0.235 285 R C 1.912 178.514 176.300 0.504 0.000 1.131 285 R CA 1.664 58.029 56.100 0.442 0.000 0.960 285 R CB -0.495 29.932 30.300 0.211 0.000 0.856 285 R HN 0.277 nan 8.270 nan 0.000 0.436 286 V N 0.050 120.225 119.914 0.436 0.000 2.295 286 V HA -0.263 3.857 4.120 0.001 0.000 0.246 286 V C 1.962 178.454 176.094 0.663 0.000 1.049 286 V CA 1.719 64.353 62.300 0.556 0.000 1.024 286 V CB -0.673 31.372 31.823 0.370 0.000 0.648 286 V HN 0.331 nan 8.190 nan 0.000 0.447 287 Y N -0.443 120.036 120.300 0.299 0.000 2.242 287 Y HA -0.213 4.337 4.550 0.001 0.000 0.291 287 Y C 2.460 178.494 175.900 0.224 0.000 1.137 287 Y CA 1.138 59.370 58.100 0.220 0.000 1.181 287 Y CB -1.177 37.378 38.460 0.159 0.000 0.989 287 Y HN 0.481 nan 8.280 nan 0.000 0.527 288 Y N -0.606 119.932 120.300 0.396 0.000 2.128 288 Y HA -0.314 4.237 4.550 0.001 0.000 0.284 288 Y C 2.289 178.384 175.900 0.324 0.000 1.154 288 Y CA 1.577 59.877 58.100 0.333 0.000 1.149 288 Y CB -1.249 37.456 38.460 0.407 0.000 0.976 288 Y HN 0.039 nan 8.280 nan 0.000 0.505 289 F N 1.151 120.928 119.950 -0.288 0.000 2.146 289 F HA 0.026 4.554 4.527 0.001 0.000 0.298 289 F C 2.504 178.155 175.800 -0.247 0.000 1.096 289 F CA 1.801 59.526 58.000 -0.458 0.000 1.275 289 F CB -0.959 37.885 39.000 -0.260 0.000 1.008 289 F HN 0.148 nan 8.300 nan 0.000 0.480 290 G N -0.861 107.898 108.800 -0.067 0.000 2.469 290 G HA2 -0.308 3.653 3.960 0.001 0.000 0.219 290 G HA3 -0.308 3.653 3.960 0.001 0.000 0.219 290 G C 1.653 176.455 174.900 -0.163 0.000 1.150 290 G CA 1.616 46.687 45.100 -0.049 0.000 0.763 290 G HN 0.396 nan 8.290 nan 0.000 0.561 291 T N -0.541 113.928 114.554 -0.141 0.000 2.777 291 T HA -0.108 4.242 4.350 0.001 0.000 0.266 291 T C 2.018 176.675 174.700 -0.072 0.000 1.040 291 T CA 1.215 63.228 62.100 -0.145 0.000 1.141 291 T CB -0.301 68.447 68.868 -0.200 0.000 0.868 291 T HN 0.322 nan 8.240 nan 0.000 0.444 292 Y N 0.636 120.799 120.300 -0.229 0.000 2.242 292 Y HA -0.108 4.442 4.550 0.001 0.000 0.291 292 Y C 2.216 177.888 175.900 -0.380 0.000 1.137 292 Y CA 0.572 58.565 58.100 -0.180 0.000 1.181 292 Y CB -0.536 37.691 38.460 -0.388 0.000 0.989 292 Y HN 0.275 nan 8.280 nan 0.000 0.527 293 Y N 0.240 119.971 120.300 -0.948 0.000 2.097 293 Y HA -0.271 4.279 4.550 0.001 0.000 0.282 293 Y C 2.500 178.102 175.900 -0.496 0.000 1.152 293 Y CA 2.037 59.605 58.100 -0.887 0.000 1.136 293 Y CB -0.920 36.930 38.460 -1.016 0.000 0.975 293 Y HN 0.129 nan 8.280 nan 0.000 0.498 294 A N -0.816 121.848 122.820 -0.260 0.000 1.883 294 A HA -0.269 4.052 4.320 0.001 0.000 0.217 294 A C 2.508 179.947 177.584 -0.243 0.000 1.186 294 A CA 2.209 54.118 52.037 -0.213 0.000 0.624 294 A CB -1.576 17.375 19.000 -0.081 0.000 0.822 294 A HN 0.546 nan 8.150 nan 0.000 0.444 295 S N -0.825 114.742 115.700 -0.221 0.000 2.365 295 S HA -0.283 4.187 4.470 0.001 0.000 0.225 295 S C 2.182 176.611 174.600 -0.286 0.000 1.039 295 S CA 1.943 60.042 58.200 -0.167 0.000 1.033 295 S CB -0.424 62.749 63.200 -0.045 0.000 0.887 295 S HN 0.685 nan 8.310 nan 0.000 0.447 296 Q N 0.186 119.669 119.800 -0.529 0.000 2.061 296 Q HA -0.080 4.260 4.340 0.001 0.000 0.204 296 Q C 2.356 178.174 176.000 -0.304 0.000 0.984 296 Q CA 1.736 57.259 55.803 -0.466 0.000 0.846 296 Q CB -0.349 28.017 28.738 -0.620 0.000 0.902 296 Q HN 0.544 nan 8.270 nan 0.000 0.421 297 L N 0.178 121.162 121.223 -0.398 0.000 2.012 297 L HA -0.227 4.114 4.340 0.001 0.000 0.210 297 L C 2.362 179.162 176.870 -0.116 0.000 1.073 297 L CA 1.118 55.791 54.840 -0.278 0.000 0.748 297 L CB -0.532 41.317 42.059 -0.351 0.000 0.891 297 L HN 0.259 nan 8.230 nan 0.000 0.431 298 I N 0.055 120.581 120.570 -0.074 0.000 2.142 298 I HA -0.268 3.902 4.170 0.001 0.000 0.240 298 I C 2.826 179.021 176.117 0.131 0.000 1.078 298 I CA 1.282 62.619 61.300 0.062 0.000 1.343 298 I CB -0.527 37.556 38.000 0.137 0.000 1.046 298 I HN 0.183 nan 8.210 nan 0.000 0.405 299 A N 0.956 123.846 122.820 0.116 0.000 1.972 299 A HA 0.071 4.392 4.320 0.001 0.000 0.219 299 A C 1.647 179.239 177.584 0.013 0.000 1.169 299 A CA 0.908 53.035 52.037 0.149 0.000 0.635 299 A CB -0.839 18.228 19.000 0.111 0.000 0.810 299 A HN 0.375 nan 8.150 nan 0.000 0.446 300 A N 1.068 123.894 122.820 0.011 0.000 2.561 300 A HA 0.428 4.749 4.320 0.001 0.000 0.251 300 A C -2.162 175.357 177.584 -0.107 0.000 1.062 300 A CA -0.756 51.256 52.037 -0.042 0.000 0.761 300 A CB -0.429 18.624 19.000 0.088 0.000 0.986 300 A HN 0.314 nan 8.150 nan 0.000 0.510 301 P HA 0.189 nan 4.420 nan 0.000 0.274 301 P C 0.883 178.193 177.300 0.016 0.000 1.256 301 P CA -0.329 62.709 63.100 -0.103 0.000 0.795 301 P CB 0.564 32.171 31.700 -0.156 0.000 1.038 302 S N 0.224 115.921 115.700 -0.006 0.000 2.447 302 S HA -0.119 4.351 4.470 0.001 0.000 0.233 302 S C 1.466 176.033 174.600 -0.055 0.000 1.006 302 S CA 1.089 59.282 58.200 -0.012 0.000 0.957 302 S CB -0.926 62.255 63.200 -0.031 0.000 0.773 302 S HN 0.638 nan 8.310 nan 0.000 0.507 303 N N 0.317 118.989 118.700 -0.047 0.000 2.409 303 N HA -0.089 4.651 4.740 0.001 0.000 0.179 303 N C 1.112 176.541 175.510 -0.134 0.000 1.032 303 N CA 0.976 53.976 53.050 -0.084 0.000 0.898 303 N CB -0.487 37.927 38.487 -0.121 0.000 0.971 303 N HN 0.454 nan 8.380 nan 0.000 0.441 304 Y N 0.361 120.632 120.300 -0.049 0.000 2.343 304 Y HA 0.227 4.778 4.550 0.001 0.000 0.294 304 Y C 1.040 176.912 175.900 -0.047 0.000 1.122 304 Y CA 0.194 58.294 58.100 0.000 0.000 1.173 304 Y CB 0.145 38.663 38.460 0.097 0.000 1.077 304 Y HN 0.116 nan 8.280 nan 0.000 0.542 305 C N 3.142 122.498 119.300 0.095 0.000 2.184 305 C HA 0.504 4.964 4.460 0.001 0.000 0.328 305 C C -0.440 174.492 174.990 -0.096 0.000 1.081 305 C CA -0.811 58.209 59.018 0.005 0.000 1.533 305 C CB -2.567 25.185 27.740 0.021 0.000 1.905 305 C HN 0.555 nan 8.230 nan 0.000 0.439 306 N N 3.967 122.538 118.700 -0.215 0.000 2.629 306 N HA 0.654 5.394 4.740 0.001 0.000 0.279 306 N C -2.562 172.786 175.510 -0.269 0.000 1.344 306 N CA -1.766 51.029 53.050 -0.423 0.000 0.789 306 N CB 0.773 38.562 38.487 -1.164 0.000 1.508 306 N HN 0.020 nan 8.380 nan 0.000 0.516 307 P HA -0.132 nan 4.420 nan 0.000 0.216 307 P C 1.097 178.392 177.300 -0.008 0.000 1.150 307 P CA 0.943 64.024 63.100 -0.032 0.000 0.837 307 P CB 0.197 31.935 31.700 0.063 0.000 0.786 308 V N 0.323 120.224 119.914 -0.023 0.000 2.270 308 V HA -0.234 3.886 4.120 0.001 0.000 0.245 308 V C 2.503 178.601 176.094 0.007 0.000 1.043 308 V CA 2.534 64.852 62.300 0.029 0.000 1.014 308 V CB -1.817 30.058 31.823 0.088 0.000 0.645 308 V HN 0.247 nan 8.190 nan 0.000 0.447 309 S N 0.386 116.062 115.700 -0.040 0.000 2.402 309 S HA -0.142 4.329 4.470 0.001 0.000 0.229 309 S C 1.920 176.521 174.600 0.001 0.000 1.021 309 S CA 1.456 59.651 58.200 -0.009 0.000 0.974 309 S CB -0.518 62.674 63.200 -0.013 0.000 0.800 309 S HN 0.375 nan 8.310 nan 0.000 0.484 310 L N 2.925 124.138 121.223 -0.018 0.000 2.072 310 L HA 0.034 4.375 4.340 0.001 0.000 0.205 310 L C 2.634 179.518 176.870 0.022 0.000 1.079 310 L CA 2.072 56.907 54.840 -0.008 0.000 0.752 310 L CB -1.129 40.916 42.059 -0.025 0.000 0.906 310 L HN 0.539 nan 8.230 nan 0.000 0.436 311 S N -0.997 114.722 115.700 0.033 0.000 2.402 311 S HA -0.142 4.329 4.470 0.001 0.000 0.229 311 S C 1.833 176.466 174.600 0.054 0.000 1.021 311 S CA 1.055 59.289 58.200 0.058 0.000 0.974 311 S CB -0.788 62.462 63.200 0.083 0.000 0.800 311 S HN 0.507 nan 8.310 nan 0.000 0.484 312 N N 2.786 121.514 118.700 0.046 0.000 2.120 312 N HA 0.075 4.816 4.740 0.001 0.000 0.188 312 N C 1.969 177.502 175.510 0.038 0.000 1.024 312 N CA 1.534 54.607 53.050 0.038 0.000 0.852 312 N CB -1.000 37.513 38.487 0.043 0.000 1.003 312 N HN 0.618 nan 8.380 nan 0.000 0.424 313 A N 0.920 123.775 122.820 0.059 0.000 1.902 313 A HA 0.020 4.340 4.320 0.001 0.000 0.217 313 A C 2.360 180.022 177.584 0.130 0.000 1.181 313 A CA 1.939 54.040 52.037 0.107 0.000 0.623 313 A CB -0.938 18.113 19.000 0.085 0.000 0.818 313 A HN 0.306 nan 8.150 nan 0.000 0.443 314 A N -0.507 122.371 122.820 0.096 0.000 1.908 314 A HA -0.066 4.255 4.320 0.001 0.000 0.218 314 A C 2.242 179.812 177.584 -0.024 0.000 1.181 314 A CA 1.941 54.025 52.037 0.078 0.000 0.627 314 A CB -1.046 18.002 19.000 0.080 0.000 0.818 314 A HN 0.420 nan 8.150 nan 0.000 0.445 315 V N -0.034 119.822 119.914 -0.096 0.000 2.332 315 V HA -0.294 3.827 4.120 0.001 0.000 0.248 315 V C 2.551 178.441 176.094 -0.341 0.000 1.055 315 V CA 2.428 64.508 62.300 -0.367 0.000 1.038 315 V CB -0.695 30.942 31.823 -0.308 0.000 0.651 315 V HN 0.795 nan 8.190 nan 0.000 0.450 316 E N -0.296 119.827 120.200 -0.130 0.000 2.077 316 E HA -0.256 4.094 4.350 0.001 0.000 0.193 316 E C 2.194 178.756 176.600 -0.064 0.000 0.989 316 E CA 1.401 57.758 56.400 -0.071 0.000 0.800 316 E CB -0.128 29.596 29.700 0.039 0.000 0.746 316 E HN 0.431 nan 8.360 nan 0.000 0.452 317 L N 1.048 122.276 121.223 0.008 0.000 1.989 317 L HA -0.180 4.160 4.340 0.001 0.000 0.211 317 L C 2.344 179.174 176.870 -0.067 0.000 1.071 317 L CA 2.424 57.260 54.840 -0.007 0.000 0.749 317 L CB -0.866 41.200 42.059 0.012 0.000 0.890 317 L HN 0.195 nan 8.230 nan 0.000 0.431 318 A N -1.312 121.450 122.820 -0.097 0.000 1.908 318 A HA -0.295 4.026 4.320 0.001 0.000 0.218 318 A C 2.183 179.749 177.584 -0.031 0.000 1.181 318 A CA 1.989 53.993 52.037 -0.056 0.000 0.627 318 A CB -0.672 18.307 19.000 -0.034 0.000 0.818 318 A HN 0.678 nan 8.150 nan 0.000 0.445 319 Q N -0.410 119.314 119.800 -0.127 0.000 2.096 319 Q HA -0.194 4.147 4.340 0.001 0.000 0.204 319 Q C 2.081 178.055 176.000 -0.044 0.000 0.982 319 Q CA 1.881 57.655 55.803 -0.049 0.000 0.850 319 Q CB -0.202 28.481 28.738 -0.091 0.000 0.901 319 Q HN 0.660 nan 8.270 nan 0.000 0.422 320 K N 0.231 120.578 120.400 -0.089 0.000 2.148 320 K HA -0.080 4.240 4.320 0.001 0.000 0.204 320 K C 1.635 178.196 176.600 -0.066 0.000 1.050 320 K CA 0.856 57.077 56.287 -0.110 0.000 0.942 320 K CB 0.084 32.462 32.500 -0.203 0.000 0.724 320 K HN 0.192 nan 8.250 nan 0.000 0.446 321 L N 0.522 121.721 121.223 -0.040 0.000 2.607 321 L HA 0.093 4.433 4.340 0.001 0.000 0.228 321 L C 0.139 177.021 176.870 0.020 0.000 1.123 321 L CA -0.185 54.640 54.840 -0.025 0.000 0.890 321 L CB -0.231 41.801 42.059 -0.044 0.000 1.103 321 L HN 0.256 nan 8.230 nan 0.000 0.468 322 N N 1.374 120.095 118.700 0.034 0.000 2.740 322 N HA -0.167 4.573 4.740 0.001 0.000 0.248 322 N C -0.297 175.276 175.510 0.105 0.000 1.062 322 N CA 0.466 53.557 53.050 0.069 0.000 0.704 322 N CB -0.788 37.728 38.487 0.049 0.000 0.968 322 N HN 0.302 nan 8.380 nan 0.000 0.547 323 L N 0.865 122.168 121.223 0.133 0.000 2.375 323 L HA 0.164 4.505 4.340 0.001 0.000 0.271 323 L C 1.027 178.031 176.870 0.223 0.000 1.107 323 L CA -0.438 54.508 54.840 0.176 0.000 0.806 323 L CB 0.880 43.036 42.059 0.162 0.000 1.146 323 L HN -0.037 nan 8.230 nan 0.000 0.447 324 E N 0.884 121.180 120.200 0.160 0.000 2.398 324 E HA 0.233 4.583 4.350 0.001 0.000 0.263 324 E C -1.051 175.665 176.600 0.193 0.000 1.046 324 E CA -0.033 56.422 56.400 0.091 0.000 0.908 324 E CB 1.027 30.736 29.700 0.014 0.000 0.963 324 E HN 0.461 nan 8.360 nan 0.000 0.431 325 Y N -1.652 118.679 120.300 0.052 0.000 2.581 325 Y HA 0.725 5.275 4.550 0.001 0.000 0.337 325 Y C -0.712 175.222 175.900 0.057 0.000 1.108 325 Y CA -1.393 56.753 58.100 0.076 0.000 1.033 325 Y CB 1.716 40.230 38.460 0.090 0.000 1.318 325 Y HN 0.518 nan 8.280 nan 0.000 0.459 326 K N 3.395 123.927 120.400 0.221 0.000 2.543 326 K HA 0.607 4.928 4.320 0.001 0.000 0.255 326 K C -2.248 174.529 176.600 0.295 0.000 0.934 326 K CA -0.701 55.687 56.287 0.169 0.000 0.810 326 K CB 1.849 34.381 32.500 0.053 0.000 1.315 326 K HN 0.770 nan 8.250 nan 0.000 0.433 327 I N 4.753 125.484 120.570 0.269 0.000 2.362 327 I HA 0.288 4.458 4.170 0.001 0.000 0.289 327 I C -0.731 175.514 176.117 0.213 0.000 0.994 327 I CA -0.976 60.477 61.300 0.256 0.000 1.158 327 I CB 1.017 39.149 38.000 0.219 0.000 1.315 327 I HN 0.541 nan 8.210 nan 0.000 0.451 328 L N 5.892 127.257 121.223 0.237 0.000 2.265 328 L HA 0.580 4.920 4.340 0.001 0.000 0.288 328 L C 0.950 177.924 176.870 0.173 0.000 1.058 328 L CA 0.183 55.124 54.840 0.169 0.000 0.809 328 L CB 1.007 43.123 42.059 0.095 0.000 1.179 328 L HN 0.705 nan 8.230 nan 0.000 0.429 329 G N 2.125 110.997 108.800 0.120 0.000 2.537 329 G HA2 0.433 4.393 3.960 0.001 0.000 0.297 329 G HA3 0.433 4.393 3.960 0.001 0.000 0.297 329 G C 0.969 175.905 174.900 0.061 0.000 1.310 329 G CA -0.593 44.564 45.100 0.094 0.000 1.027 329 G HN 0.371 nan 8.290 nan 0.000 0.505 330 V N 0.513 120.446 119.914 0.031 0.000 2.287 330 V HA -0.168 3.953 4.120 0.001 0.000 0.248 330 V C 2.929 179.025 176.094 0.004 0.000 1.053 330 V CA 1.873 64.170 62.300 -0.005 0.000 1.027 330 V CB -0.418 31.394 31.823 -0.019 0.000 0.646 330 V HN 0.529 nan 8.190 nan 0.000 0.447 331 K N 0.216 120.626 120.400 0.016 0.000 2.057 331 K HA -0.195 4.125 4.320 0.001 0.000 0.207 331 K C 2.069 178.681 176.600 0.020 0.000 1.049 331 K CA 1.676 57.972 56.287 0.015 0.000 0.931 331 K CB -0.424 32.087 32.500 0.018 0.000 0.714 331 K HN 0.621 nan 8.250 nan 0.000 0.440 332 E N 0.796 121.014 120.200 0.030 0.000 2.110 332 E HA -0.113 4.237 4.350 0.001 0.000 0.193 332 E C 2.176 178.793 176.600 0.027 0.000 0.988 332 E CA 0.778 57.198 56.400 0.033 0.000 0.804 332 E CB -0.168 29.560 29.700 0.046 0.000 0.745 332 E HN 0.173 nan 8.360 nan 0.000 0.458 333 L N 0.849 122.089 121.223 0.027 0.000 2.056 333 L HA -0.173 4.168 4.340 0.001 0.000 0.207 333 L C 2.330 179.211 176.870 0.019 0.000 1.078 333 L CA 1.184 56.041 54.840 0.028 0.000 0.749 333 L CB -0.355 41.721 42.059 0.028 0.000 0.901 333 L HN 0.104 nan 8.230 nan 0.000 0.433 334 E N 0.221 120.425 120.200 0.005 0.000 2.058 334 E HA -0.251 4.099 4.350 0.001 0.000 0.194 334 E C 2.120 178.728 176.600 0.014 0.000 0.997 334 E CA 1.361 57.764 56.400 0.005 0.000 0.801 334 E CB -0.067 29.633 29.700 -0.000 0.000 0.746 334 E HN 0.474 nan 8.360 nan 0.000 0.450 335 E N 0.474 120.683 120.200 0.016 0.000 2.097 335 E HA -0.202 4.148 4.350 0.001 0.000 0.196 335 E C 1.955 178.568 176.600 0.020 0.000 1.000 335 E CA 0.894 57.304 56.400 0.017 0.000 0.804 335 E CB -0.105 29.606 29.700 0.017 0.000 0.740 335 E HN 0.266 nan 8.360 nan 0.000 0.454 336 L N 0.239 121.478 121.223 0.026 0.000 2.610 336 L HA -0.007 4.333 4.340 0.001 0.000 0.232 336 L C 0.322 177.216 176.870 0.040 0.000 1.149 336 L CA 0.344 55.204 54.840 0.034 0.000 0.872 336 L CB -0.200 41.886 42.059 0.045 0.000 0.992 336 L HN 0.077 nan 8.230 nan 0.000 0.447 337 K N -0.263 120.159 120.400 0.036 0.000 3.117 337 K HA -0.194 4.126 4.320 0.001 0.000 0.269 337 K C 0.056 176.691 176.600 0.058 0.000 1.098 337 K CA 0.530 56.842 56.287 0.040 0.000 0.785 337 K CB -1.502 31.021 32.500 0.037 0.000 1.242 337 K HN 0.320 nan 8.250 nan 0.000 0.491 338 M N 0.548 120.189 119.600 0.068 0.000 3.596 338 M HA 0.038 4.518 4.480 0.001 0.000 0.219 338 M C 1.681 178.031 176.300 0.084 0.000 1.471 338 M CA 0.428 55.793 55.300 0.109 0.000 1.644 338 M CB 0.200 32.913 32.600 0.189 0.000 1.083 338 M HN 0.422 nan 8.290 nan 0.000 0.579 339 G N 0.400 109.238 108.800 0.063 0.000 2.443 339 G HA2 -0.091 3.869 3.960 0.001 0.000 0.219 339 G HA3 -0.091 3.869 3.960 0.001 0.000 0.219 339 G C 1.470 176.391 174.900 0.035 0.000 1.131 339 G CA 0.991 46.114 45.100 0.039 0.000 0.775 339 G HN 0.650 nan 8.290 nan 0.000 0.547 340 A N 0.218 123.074 122.820 0.061 0.000 1.854 340 A HA 0.054 4.374 4.320 0.001 0.000 0.214 340 A C 2.198 179.808 177.584 0.043 0.000 1.192 340 A CA 1.566 53.629 52.037 0.044 0.000 0.611 340 A CB -0.729 18.290 19.000 0.031 0.000 0.832 340 A HN 0.386 nan 8.150 nan 0.000 0.442 341 Y N 0.818 121.086 120.300 -0.053 0.000 2.128 341 Y HA -0.148 4.402 4.550 0.001 0.000 0.284 341 Y C 1.854 177.713 175.900 -0.069 0.000 1.154 341 Y CA 1.664 59.735 58.100 -0.047 0.000 1.149 341 Y CB -0.657 37.819 38.460 0.026 0.000 0.976 341 Y HN 0.198 nan 8.280 nan 0.000 0.505 342 L N -0.826 120.296 121.223 -0.168 0.000 2.093 342 L HA -0.193 4.148 4.340 0.001 0.000 0.208 342 L C 2.517 179.254 176.870 -0.221 0.000 1.085 342 L CA 1.375 56.038 54.840 -0.295 0.000 0.755 342 L CB -0.676 41.269 42.059 -0.191 0.000 0.904 342 L HN 0.088 nan 8.230 nan 0.000 0.435 343 S N -0.458 115.127 115.700 -0.192 0.000 2.370 343 S HA -0.160 4.310 4.470 0.001 0.000 0.226 343 S C 2.063 176.328 174.600 -0.559 0.000 1.033 343 S CA 1.268 59.307 58.200 -0.268 0.000 1.011 343 S CB -0.286 62.782 63.200 -0.220 0.000 0.852 343 S HN 0.175 nan 8.310 nan 0.000 0.457 344 V N 1.397 120.945 119.914 -0.610 0.000 2.332 344 V HA -0.161 3.959 4.120 0.001 0.000 0.248 344 V C 2.421 178.372 176.094 -0.237 0.000 1.055 344 V CA 1.994 63.937 62.300 -0.595 0.000 1.038 344 V CB -1.219 30.447 31.823 -0.261 0.000 0.651 344 V HN 0.610 nan 8.190 nan 0.000 0.450 345 G N -1.360 107.340 108.800 -0.167 0.000 2.985 345 G HA2 -0.053 3.907 3.960 0.001 0.000 0.209 345 G HA3 -0.053 3.907 3.960 0.001 0.000 0.209 345 G C 1.464 176.335 174.900 -0.049 0.000 1.165 345 G CA -0.001 45.055 45.100 -0.074 0.000 0.776 345 G HN 0.429 nan 8.290 nan 0.000 0.541 346 K N 0.271 120.632 120.400 -0.065 0.000 2.059 346 K HA -0.108 4.212 4.320 0.001 0.000 0.212 346 K C 2.449 179.069 176.600 0.033 0.000 1.050 346 K CA 1.318 57.597 56.287 -0.013 0.000 0.927 346 K CB -0.233 32.273 32.500 0.011 0.000 0.714 346 K HN 0.256 nan 8.250 nan 0.000 0.447 347 G N 0.211 109.058 108.800 0.078 0.000 2.956 347 G HA2 -0.069 3.892 3.960 0.001 0.000 0.207 347 G HA3 -0.069 3.892 3.960 0.001 0.000 0.207 347 G C 0.217 175.151 174.900 0.057 0.000 1.162 347 G CA -0.124 45.031 45.100 0.091 0.000 0.796 347 G HN 0.147 nan 8.290 nan 0.000 0.527 348 S N -0.210 115.518 115.700 0.046 0.000 2.617 348 S HA 0.404 4.874 4.470 0.001 0.000 0.283 348 S C 1.615 176.185 174.600 -0.050 0.000 1.189 348 S CA -0.660 57.565 58.200 0.040 0.000 1.036 348 S CB 0.882 64.153 63.200 0.119 0.000 1.014 348 S HN 0.280 nan 8.310 nan 0.000 0.522 349 M N 2.121 121.604 119.600 -0.195 0.000 2.595 349 M HA 0.251 4.731 4.480 0.001 0.000 0.248 349 M C -0.958 175.088 176.300 -0.425 0.000 1.119 349 M CA 0.476 55.567 55.300 -0.349 0.000 1.079 349 M CB -0.346 31.954 32.600 -0.500 0.000 1.472 349 M HN 0.478 nan 8.290 nan 0.000 0.501 350 Y N 1.887 122.192 120.300 0.009 0.000 2.328 350 Y HA 0.550 5.100 4.550 0.001 0.000 0.337 350 Y C -2.308 173.597 175.900 0.008 0.000 1.008 350 Y CA -2.823 55.285 58.100 0.013 0.000 1.129 350 Y CB 0.361 38.835 38.460 0.023 0.000 1.185 350 Y HN -0.012 nan 8.280 nan 0.000 0.476 351 P HA 0.011 nan 4.420 nan 0.000 0.268 351 P C -0.775 176.575 177.300 0.084 0.000 1.205 351 P CA -0.245 62.900 63.100 0.075 0.000 0.771 351 P CB 0.555 32.294 31.700 0.065 0.000 0.858 352 N N 2.605 121.310 118.700 0.009 0.000 2.412 352 N HA 0.038 4.778 4.740 0.001 0.000 0.254 352 N C -0.064 175.512 175.510 0.111 0.000 1.232 352 N CA 0.713 53.760 53.050 -0.005 0.000 0.880 352 N CB 0.003 38.289 38.487 -0.336 0.000 1.076 352 N HN 0.177 nan 8.380 nan 0.000 0.458 353 K N 2.161 122.691 120.400 0.216 0.000 2.507 353 K HA 0.278 4.598 4.320 0.001 0.000 0.252 353 K C -1.204 175.585 176.600 0.315 0.000 0.943 353 K CA -0.527 55.900 56.287 0.233 0.000 0.808 353 K CB 1.385 33.978 32.500 0.156 0.000 1.142 353 K HN 0.397 nan 8.250 nan 0.000 0.426 354 F N 4.257 124.316 119.950 0.181 0.000 2.391 354 F HA 0.421 4.948 4.527 0.001 0.000 0.359 354 F C 0.063 175.897 175.800 0.057 0.000 1.122 354 F CA -1.018 57.027 58.000 0.075 0.000 1.120 354 F CB 0.446 39.462 39.000 0.027 0.000 1.142 354 F HN 0.396 nan 8.300 nan 0.000 0.483 355 I N 6.149 126.732 120.570 0.022 0.000 2.441 355 I HA 0.158 4.329 4.170 0.001 0.000 0.287 355 I C -0.402 175.882 176.117 0.278 0.000 1.049 355 I CA -0.115 61.275 61.300 0.150 0.000 1.381 355 I CB 0.734 38.770 38.000 0.060 0.000 1.409 355 I HN 0.597 nan 8.210 nan 0.000 0.523 356 H N 6.670 125.922 119.070 0.303 0.000 3.092 356 H HA 0.428 4.984 4.556 0.001 0.000 0.308 356 H C -1.547 174.007 175.328 0.376 0.000 1.047 356 H CA -0.945 55.329 56.048 0.377 0.000 1.466 356 H CB 0.860 30.885 29.762 0.439 0.000 1.597 356 H HN 0.352 nan 8.280 nan 0.000 0.512 357 L N 3.587 125.199 121.223 0.647 0.000 2.344 357 L HA 0.483 4.823 4.340 0.001 0.000 0.272 357 L C 0.136 177.424 176.870 0.696 0.000 1.035 357 L CA -0.356 54.807 54.840 0.538 0.000 0.807 357 L CB 1.928 44.211 42.059 0.373 0.000 1.237 357 L HN 0.633 nan 8.230 nan 0.000 0.442 358 T N 1.321 116.164 114.554 0.483 0.000 2.921 358 T HA 0.362 4.712 4.350 0.001 0.000 0.297 358 T C -1.418 173.495 174.700 0.355 0.000 1.013 358 T CA -0.394 61.925 62.100 0.366 0.000 0.990 358 T CB 1.124 70.098 68.868 0.178 0.000 1.023 358 T HN 0.306 nan 8.240 nan 0.000 0.447 359 Y N 2.721 123.192 120.300 0.286 0.000 2.342 359 Y HA 0.667 5.218 4.550 0.001 0.000 0.334 359 Y C -0.222 175.703 175.900 0.042 0.000 1.067 359 Y CA -0.773 57.441 58.100 0.189 0.000 1.128 359 Y CB 0.980 39.619 38.460 0.298 0.000 1.200 359 Y HN 0.484 nan 8.280 nan 0.000 0.464 360 K N 4.272 124.231 120.400 -0.735 0.000 2.471 360 K HA 0.446 4.766 4.320 0.001 0.000 0.252 360 K C -1.070 175.036 176.600 -0.823 0.000 0.938 360 K CA -0.586 55.342 56.287 -0.598 0.000 0.796 360 K CB 1.301 33.639 32.500 -0.271 0.000 1.161 360 K HN 0.809 nan 8.250 nan 0.000 0.425 361 S N 2.714 118.076 115.700 -0.563 0.000 2.572 361 S HA 0.113 4.584 4.470 0.001 0.000 0.279 361 S C -0.455 174.039 174.600 -0.177 0.000 1.341 361 S CA -0.455 57.572 58.200 -0.287 0.000 1.043 361 S CB 0.561 63.745 63.200 -0.028 0.000 0.887 361 S HN 0.439 nan 8.310 nan 0.000 0.516 362 K N 1.685 122.023 120.400 -0.104 0.000 2.326 362 K HA 0.546 4.866 4.320 0.001 0.000 0.275 362 K C 0.906 177.484 176.600 -0.037 0.000 1.018 362 K CA 0.313 56.562 56.287 -0.062 0.000 0.962 362 K CB 0.161 32.640 32.500 -0.035 0.000 0.953 362 K HN 0.905 nan 8.250 nan 0.000 0.475 363 G N 0.268 109.048 108.800 -0.033 0.000 2.500 363 G HA2 -0.045 3.915 3.960 0.001 0.000 0.209 363 G HA3 -0.045 3.915 3.960 0.001 0.000 0.209 363 G C -0.896 173.990 174.900 -0.024 0.000 1.283 363 G CA -0.580 44.507 45.100 -0.022 0.000 0.960 363 G HN 0.875 nan 8.290 nan 0.000 0.528 364 D N -0.887 119.503 120.400 -0.017 0.000 2.390 364 D HA 0.570 5.210 4.640 0.001 0.000 0.249 364 D C 0.470 176.759 176.300 -0.018 0.000 1.144 364 D CA 0.546 54.536 54.000 -0.017 0.000 0.880 364 D CB 1.520 42.312 40.800 -0.013 0.000 1.182 364 D HN 1.217 nan 8.370 nan 0.000 0.451 365 V N 2.970 122.871 119.914 -0.021 0.000 2.364 365 V HA 0.251 4.371 4.120 0.001 0.000 0.272 365 V C 1.091 177.174 176.094 -0.018 0.000 1.036 365 V CA -0.223 62.065 62.300 -0.021 0.000 0.880 365 V CB 1.042 32.849 31.823 -0.026 0.000 0.991 365 V HN 0.745 nan 8.190 nan 0.000 0.460 366 K N 3.021 123.412 120.400 -0.016 0.000 2.313 366 K HA 0.283 4.603 4.320 0.001 0.000 0.197 366 K C 0.329 176.908 176.600 -0.035 0.000 1.061 366 K CA 0.280 56.554 56.287 -0.022 0.000 0.980 366 K CB 0.467 32.956 32.500 -0.017 0.000 0.888 366 K HN 0.344 nan 8.250 nan 0.000 0.502 367 K N 1.447 121.829 120.400 -0.031 0.000 2.371 367 K HA 0.357 4.677 4.320 0.001 0.000 0.251 367 K C -1.045 175.539 176.600 -0.026 0.000 0.934 367 K CA -0.480 55.776 56.287 -0.053 0.000 0.798 367 K CB 2.350 34.825 32.500 -0.042 0.000 1.204 367 K HN -0.112 nan 8.250 nan 0.000 0.427 368 K N 2.849 123.230 120.400 -0.031 0.000 2.323 368 K HA 0.567 4.887 4.320 0.001 0.000 0.259 368 K C -0.441 176.199 176.600 0.065 0.000 0.947 368 K CA -0.578 55.728 56.287 0.032 0.000 0.819 368 K CB 1.525 34.061 32.500 0.061 0.000 1.109 368 K HN 0.440 nan 8.250 nan 0.000 0.429 369 I N 1.826 122.465 120.570 0.115 0.000 2.533 369 I HA 0.358 4.529 4.170 0.001 0.000 0.290 369 I C -0.689 175.532 176.117 0.173 0.000 1.056 369 I CA -0.898 60.512 61.300 0.183 0.000 1.057 369 I CB 2.152 40.273 38.000 0.201 0.000 1.240 369 I HN 0.603 nan 8.210 nan 0.000 0.423 370 A N 7.642 130.586 122.820 0.206 0.000 2.260 370 A HA 0.804 5.124 4.320 0.001 0.000 0.314 370 A C -0.768 176.903 177.584 0.145 0.000 1.257 370 A CA -0.421 51.720 52.037 0.174 0.000 0.871 370 A CB 0.503 19.604 19.000 0.169 0.000 1.166 370 A HN 0.685 nan 8.150 nan 0.000 0.522 371 L N 3.349 124.616 121.223 0.074 0.000 2.287 371 L HA 0.555 4.895 4.340 0.001 0.000 0.287 371 L C -0.820 176.114 176.870 0.106 0.000 1.022 371 L CA -0.771 54.123 54.840 0.090 0.000 0.814 371 L CB 1.632 43.729 42.059 0.062 0.000 1.217 371 L HN 0.400 nan 8.230 nan 0.000 0.420 372 V N 2.037 122.015 119.914 0.107 0.000 2.487 372 V HA 0.674 4.795 4.120 0.001 0.000 0.298 372 V C 0.329 176.454 176.094 0.052 0.000 1.028 372 V CA -0.500 61.840 62.300 0.068 0.000 0.860 372 V CB 1.798 33.681 31.823 0.099 0.000 0.991 372 V HN 0.860 nan 8.190 nan 0.000 0.427 373 G N 2.904 111.702 108.800 -0.003 0.000 2.478 373 G HA2 0.490 4.450 3.960 0.001 0.000 0.317 373 G HA3 0.490 4.450 3.960 0.001 0.000 0.317 373 G C -0.650 174.215 174.900 -0.057 0.000 1.259 373 G CA -0.705 44.392 45.100 -0.004 0.000 0.933 373 G HN 0.675 nan 8.290 nan 0.000 0.478 374 K N 1.360 121.738 120.400 -0.037 0.000 2.447 374 K HA 0.304 4.624 4.320 0.001 0.000 0.281 374 K C 0.566 177.115 176.600 -0.086 0.000 1.031 374 K CA 0.140 56.387 56.287 -0.067 0.000 1.019 374 K CB 0.422 32.898 32.500 -0.040 0.000 0.918 374 K HN 0.471 nan 8.250 nan 0.000 0.476 375 G N 6.231 114.972 108.800 -0.099 0.000 4.876 375 G HA2 0.243 4.203 3.960 0.001 0.000 0.304 375 G HA3 0.243 4.203 3.960 0.001 0.000 0.304 375 G C -0.471 174.407 174.900 -0.038 0.000 1.396 375 G CA -0.501 44.553 45.100 -0.077 0.000 0.978 375 G HN 0.482 nan 8.290 nan 0.000 0.565 376 I N 2.751 123.301 120.570 -0.033 0.000 2.322 376 I HA 0.122 4.292 4.170 0.001 0.000 0.292 376 I C 1.819 177.946 176.117 0.016 0.000 1.060 376 I CA -0.061 61.240 61.300 0.002 0.000 1.309 376 I CB 0.544 38.535 38.000 -0.015 0.000 1.415 376 I HN 0.323 nan 8.210 nan 0.000 0.492 377 T N 3.070 117.657 114.554 0.054 0.000 3.023 377 T HA 0.022 4.373 4.350 0.001 0.000 0.266 377 T C 0.242 175.053 174.700 0.185 0.000 1.093 377 T CA 0.522 62.665 62.100 0.071 0.000 1.129 377 T CB 0.045 68.927 68.868 0.023 0.000 0.899 377 T HN 0.308 nan 8.240 nan 0.000 0.491 378 F N 1.219 121.180 119.950 0.020 0.000 2.604 378 F HA 0.503 5.030 4.527 0.001 0.000 0.316 378 F C -2.199 173.628 175.800 0.044 0.000 1.136 378 F CA -1.792 56.226 58.000 0.030 0.000 0.989 378 F CB 2.062 41.080 39.000 0.030 0.000 1.258 378 F HN -0.134 nan 8.300 nan 0.000 0.451 379 D N 2.839 122.780 120.400 -0.765 0.000 2.477 379 D HA 0.208 4.849 4.640 0.001 0.000 0.239 379 D C 0.688 176.547 176.300 -0.735 0.000 1.102 379 D CA 0.149 53.849 54.000 -0.500 0.000 0.901 379 D CB 1.237 41.888 40.800 -0.249 0.000 1.026 379 D HN 0.474 nan 8.370 nan 0.000 0.515 380 S N 2.006 117.441 115.700 -0.442 0.000 2.489 380 S HA 0.164 4.634 4.470 0.001 0.000 0.228 380 S C 1.740 176.284 174.600 -0.094 0.000 0.995 380 S CA 0.703 58.810 58.200 -0.155 0.000 0.934 380 S CB 0.056 63.361 63.200 0.175 0.000 0.771 380 S HN 0.723 nan 8.310 nan 0.000 0.522 381 G N 0.572 109.323 108.800 -0.082 0.000 2.254 381 G HA2 0.167 4.127 3.960 0.001 0.000 0.225 381 G HA3 0.167 4.127 3.960 0.001 0.000 0.225 381 G C 1.199 176.105 174.900 0.008 0.000 1.003 381 G CA 0.295 45.375 45.100 -0.033 0.000 0.622 381 G HN 1.826 nan 8.290 nan 0.000 0.507 382 G N -0.737 108.073 108.800 0.016 0.000 2.562 382 G HA2 -0.161 3.799 3.960 0.001 0.000 0.250 382 G HA3 -0.161 3.799 3.960 0.001 0.000 0.250 382 G C 0.498 175.356 174.900 -0.070 0.000 1.269 382 G CA 0.555 45.670 45.100 0.025 0.000 0.919 382 G HN 1.078 nan 8.290 nan 0.000 0.574 383 Y N 1.256 121.530 120.300 -0.044 0.000 2.315 383 Y HA -0.047 4.504 4.550 0.001 0.000 0.288 383 Y C 2.252 178.117 175.900 -0.059 0.000 1.154 383 Y CA 1.902 59.970 58.100 -0.054 0.000 1.229 383 Y CB -0.163 38.249 38.460 -0.080 0.000 0.980 383 Y HN 0.406 nan 8.280 nan 0.000 0.540 384 N N 1.118 119.839 118.700 0.034 0.000 3.178 384 N HA 0.138 4.879 4.740 0.001 0.000 0.300 384 N C -0.900 174.600 175.510 -0.018 0.000 1.242 384 N CA -0.227 52.821 53.050 -0.002 0.000 1.192 384 N CB -0.070 38.402 38.487 -0.026 0.000 1.463 384 N HN 0.061 nan 8.380 nan 0.000 0.539 385 L N 0.958 122.165 121.223 -0.025 0.000 2.485 385 L HA 0.010 4.351 4.340 0.001 0.000 0.275 385 L C 0.226 177.081 176.870 -0.025 0.000 1.207 385 L CA 0.147 54.966 54.840 -0.034 0.000 0.855 385 L CB 0.384 42.416 42.059 -0.044 0.000 1.114 385 L HN 0.289 nan 8.230 nan 0.000 0.485 386 K N 5.321 125.704 120.400 -0.028 0.000 2.021 386 K HA 0.187 4.507 4.320 0.001 0.000 0.238 386 K C 0.460 177.051 176.600 -0.016 0.000 1.149 386 K CA 0.602 56.872 56.287 -0.028 0.000 1.105 386 K CB -0.064 32.408 32.500 -0.046 0.000 1.246 386 K HN 0.755 nan 8.250 nan 0.000 0.307 387 A N 1.627 124.438 122.820 -0.015 0.000 2.390 387 A HA 0.289 4.610 4.320 0.001 0.000 0.225 387 A C 0.768 178.346 177.584 -0.011 0.000 1.232 387 A CA -0.119 51.911 52.037 -0.011 0.000 0.964 387 A CB 0.522 19.516 19.000 -0.010 0.000 1.064 387 A HN 0.567 nan 8.150 nan 0.000 0.525 388 A N 1.302 124.114 122.820 -0.013 0.000 2.445 388 A HA 0.547 4.867 4.320 0.001 0.000 0.242 388 A C -2.484 175.093 177.584 -0.012 0.000 1.075 388 A CA -0.946 51.084 52.037 -0.013 0.000 0.777 388 A CB -0.550 18.442 19.000 -0.014 0.000 1.013 388 A HN 0.198 nan 8.150 nan 0.000 0.493 389 P HA 0.317 nan 4.420 nan 0.000 0.268 389 P C 0.907 178.202 177.300 -0.010 0.000 1.204 389 P CA 1.637 64.730 63.100 -0.011 0.000 0.768 389 P CB 0.703 32.397 31.700 -0.010 0.000 0.842 390 G N 2.194 110.985 108.800 -0.016 0.000 2.176 390 G HA2 -0.286 3.675 3.960 0.001 0.000 0.253 390 G HA3 -0.286 3.675 3.960 0.001 0.000 0.253 390 G C 0.976 175.866 174.900 -0.017 0.000 0.979 390 G CA 0.440 45.529 45.100 -0.017 0.000 0.641 390 G HN 0.589 nan 8.290 nan 0.000 0.530 391 S N -0.229 115.459 115.700 -0.019 0.000 2.562 391 S HA 0.332 4.802 4.470 0.001 0.000 0.221 391 S C 1.526 176.103 174.600 -0.039 0.000 0.975 391 S CA 1.009 59.197 58.200 -0.020 0.000 0.918 391 S CB -0.351 62.837 63.200 -0.019 0.000 0.772 391 S HN 1.225 nan 8.310 nan 0.000 0.531 392 M N -0.018 119.550 119.600 -0.053 0.000 2.461 392 M HA -0.184 4.296 4.480 0.001 0.000 0.203 392 M C 0.749 176.989 176.300 -0.100 0.000 0.428 392 M CA 0.331 55.578 55.300 -0.087 0.000 0.509 392 M CB -1.899 30.631 32.600 -0.116 0.000 1.851 392 M HN 0.485 nan 8.290 nan 0.000 0.834 393 I N 1.660 122.196 120.570 -0.057 0.000 2.423 393 I HA -0.290 3.880 4.170 0.001 0.000 0.254 393 I C 2.057 178.191 176.117 0.028 0.000 1.151 393 I CA 2.447 63.726 61.300 -0.034 0.000 1.421 393 I CB -0.036 37.981 38.000 0.029 0.000 1.079 393 I HN 0.537 nan 8.210 nan 0.000 0.431 394 D N 0.440 120.835 120.400 -0.008 0.000 2.348 394 D HA -0.184 4.457 4.640 0.001 0.000 0.216 394 D C 1.947 178.186 176.300 -0.102 0.000 0.970 394 D CA 0.577 54.574 54.000 -0.004 0.000 0.889 394 D CB -0.163 40.613 40.800 -0.040 0.000 0.912 394 D HN 0.414 nan 8.370 nan 0.000 0.524 395 L N -0.393 120.692 121.223 -0.230 0.000 2.592 395 L HA 0.152 4.492 4.340 0.001 0.000 0.227 395 L C 1.663 178.321 176.870 -0.352 0.000 1.127 395 L CA 0.357 54.893 54.840 -0.506 0.000 0.884 395 L CB -0.029 41.588 42.059 -0.736 0.000 1.065 395 L HN -0.231 nan 8.230 nan 0.000 0.457 396 M N 0.117 119.649 119.600 -0.114 0.000 2.659 396 M HA -0.041 4.440 4.480 0.001 0.000 0.243 396 M C 1.784 178.139 176.300 0.092 0.000 1.111 396 M CA 0.720 55.978 55.300 -0.069 0.000 1.070 396 M CB -0.839 31.475 32.600 -0.477 0.000 1.525 396 M HN 0.461 nan 8.290 nan 0.000 0.517 397 K N 0.529 121.060 120.400 0.217 0.000 2.360 397 K HA -0.158 4.162 4.320 0.001 0.000 0.201 397 K C 1.485 178.195 176.600 0.184 0.000 1.046 397 K CA 1.213 57.628 56.287 0.214 0.000 0.945 397 K CB -0.954 31.615 32.500 0.115 0.000 0.750 397 K HN 0.482 nan 8.250 nan 0.000 0.464 398 F N 0.036 119.932 119.950 -0.091 0.000 2.797 398 F HA 0.216 4.743 4.527 0.001 0.000 0.302 398 F C 0.778 176.564 175.800 -0.024 0.000 1.130 398 F CA -0.590 57.383 58.000 -0.045 0.000 1.387 398 F CB 0.132 39.085 39.000 -0.077 0.000 1.107 398 F HN -0.118 nan 8.300 nan 0.000 0.577 399 D N 1.879 122.259 120.400 -0.034 0.000 2.349 399 D HA -0.015 4.626 4.640 0.001 0.000 0.224 399 D C 1.330 177.521 176.300 -0.181 0.000 1.029 399 D CA 0.596 54.450 54.000 -0.243 0.000 0.879 399 D CB 0.049 40.798 40.800 -0.085 0.000 0.906 399 D HN 0.469 nan 8.370 nan 0.000 0.528 400 M N -2.119 117.410 119.600 -0.118 0.000 2.560 400 M HA 0.392 4.872 4.480 0.001 0.000 0.297 400 M C 1.318 177.560 176.300 -0.096 0.000 1.201 400 M CA -0.162 55.085 55.300 -0.088 0.000 0.973 400 M CB 0.197 32.770 32.600 -0.043 0.000 1.401 400 M HN -0.315 nan 8.290 nan 0.000 0.497 401 S N 1.330 116.934 115.700 -0.161 0.000 2.399 401 S HA -0.010 4.460 4.470 0.001 0.000 0.231 401 S C 1.999 176.562 174.600 -0.062 0.000 1.022 401 S CA 1.506 59.641 58.200 -0.108 0.000 0.983 401 S CB -0.755 62.344 63.200 -0.167 0.000 0.803 401 S HN 0.784 nan 8.310 nan 0.000 0.480 402 G N 0.453 109.206 108.800 -0.079 0.000 2.433 402 G HA2 -0.284 3.676 3.960 0.001 0.000 0.216 402 G HA3 -0.284 3.676 3.960 0.001 0.000 0.216 402 G C 1.772 176.669 174.900 -0.006 0.000 1.186 402 G CA 1.061 46.145 45.100 -0.027 0.000 0.779 402 G HN 0.600 nan 8.290 nan 0.000 0.543 403 C N 1.131 120.414 119.300 -0.030 0.000 2.413 403 C HA 0.108 4.568 4.460 0.001 0.000 0.276 403 C C 3.420 178.417 174.990 0.012 0.000 1.248 403 C CA 1.813 60.821 59.018 -0.018 0.000 1.742 403 C CB -1.109 26.602 27.740 -0.048 0.000 2.017 403 C HN 0.538 nan 8.230 nan 0.000 0.481 404 A N 0.303 123.117 122.820 -0.010 0.000 1.898 404 A HA 0.160 4.480 4.320 0.001 0.000 0.216 404 A C 2.520 180.121 177.584 0.028 0.000 1.181 404 A CA 2.139 54.168 52.037 -0.012 0.000 0.620 404 A CB -1.199 17.764 19.000 -0.062 0.000 0.819 404 A HN 0.902 nan 8.150 nan 0.000 0.442 405 A N -0.479 122.359 122.820 0.029 0.000 1.908 405 A HA -0.059 4.261 4.320 0.001 0.000 0.218 405 A C 2.223 179.854 177.584 0.078 0.000 1.181 405 A CA 1.938 54.000 52.037 0.042 0.000 0.627 405 A CB -0.952 18.080 19.000 0.054 0.000 0.818 405 A HN 0.409 nan 8.150 nan 0.000 0.445 406 V N -0.035 119.943 119.914 0.107 0.000 2.427 406 V HA -0.225 3.896 4.120 0.001 0.000 0.248 406 V C 2.521 178.728 176.094 0.188 0.000 1.051 406 V CA 1.857 64.272 62.300 0.192 0.000 1.048 406 V CB -0.666 31.271 31.823 0.190 0.000 0.666 406 V HN 0.565 nan 8.190 nan 0.000 0.456 407 L N 0.170 121.470 121.223 0.128 0.000 2.109 407 L HA -0.008 4.332 4.340 0.001 0.000 0.207 407 L C 2.645 179.572 176.870 0.095 0.000 1.086 407 L CA 1.498 56.403 54.840 0.109 0.000 0.760 407 L CB -1.112 41.086 42.059 0.231 0.000 0.910 407 L HN 0.456 nan 8.230 nan 0.000 0.437 408 G N -0.719 108.170 108.800 0.149 0.000 2.421 408 G HA2 -0.318 3.643 3.960 0.001 0.000 0.216 408 G HA3 -0.318 3.643 3.960 0.001 0.000 0.216 408 G C 1.820 176.756 174.900 0.060 0.000 1.171 408 G CA 0.877 46.040 45.100 0.106 0.000 0.775 408 G HN 0.452 nan 8.290 nan 0.000 0.543 409 C N 1.021 120.356 119.300 0.059 0.000 2.413 409 C HA 0.127 4.587 4.460 0.001 0.000 0.276 409 C C 3.457 178.462 174.990 0.026 0.000 1.236 409 C CA 1.679 60.750 59.018 0.089 0.000 1.735 409 C CB -1.117 26.749 27.740 0.210 0.000 2.031 409 C HN 0.561 nan 8.230 nan 0.000 0.474 410 A N -0.940 121.736 122.820 -0.239 0.000 1.917 410 A HA -0.221 4.099 4.320 0.001 0.000 0.219 410 A C 2.056 179.411 177.584 -0.382 0.000 1.182 410 A CA 2.062 53.584 52.037 -0.860 0.000 0.633 410 A CB -1.280 16.991 19.000 -1.214 0.000 0.819 410 A HN 0.850 nan 8.150 nan 0.000 0.448 411 Y N 0.270 120.401 120.300 -0.281 0.000 2.128 411 Y HA -0.306 4.244 4.550 0.001 0.000 0.284 411 Y C 2.549 178.402 175.900 -0.078 0.000 1.154 411 Y CA 1.711 59.702 58.100 -0.182 0.000 1.149 411 Y CB -0.842 37.508 38.460 -0.183 0.000 0.976 411 Y HN 0.382 nan 8.280 nan 0.000 0.505 412 C N -0.964 118.224 119.300 -0.186 0.000 2.453 412 C HA -0.123 4.337 4.460 0.001 0.000 0.277 412 C C 2.817 177.683 174.990 -0.207 0.000 1.262 412 C CA 0.984 59.899 59.018 -0.172 0.000 1.718 412 C CB -1.243 26.512 27.740 0.025 0.000 2.031 412 C HN 0.500 nan 8.230 nan 0.000 0.480 413 V N 1.547 121.357 119.914 -0.174 0.000 2.295 413 V HA -0.114 4.007 4.120 0.001 0.000 0.246 413 V C 2.694 178.506 176.094 -0.471 0.000 1.049 413 V CA 2.450 64.594 62.300 -0.260 0.000 1.024 413 V CB -1.522 30.248 31.823 -0.088 0.000 0.648 413 V HN 0.662 nan 8.190 nan 0.000 0.447 414 G N -0.829 107.749 108.800 -0.371 0.000 2.432 414 G HA2 -0.223 3.738 3.960 0.001 0.000 0.219 414 G HA3 -0.223 3.738 3.960 0.001 0.000 0.219 414 G C 1.661 176.411 174.900 -0.251 0.000 1.135 414 G CA 1.586 46.530 45.100 -0.261 0.000 0.767 414 G HN 0.498 nan 8.290 nan 0.000 0.550 415 T N 0.805 115.136 114.554 -0.371 0.000 2.852 415 T HA 0.108 4.458 4.350 0.001 0.000 0.256 415 T C 2.320 176.917 174.700 -0.172 0.000 1.038 415 T CA 0.448 62.360 62.100 -0.313 0.000 1.141 415 T CB -0.076 68.486 68.868 -0.510 0.000 0.869 415 T HN 0.144 nan 8.240 nan 0.000 0.439 416 L N 0.308 121.433 121.223 -0.163 0.000 2.418 416 L HA 0.213 4.553 4.340 0.001 0.000 0.218 416 L C 0.400 177.225 176.870 -0.075 0.000 1.125 416 L CA 0.274 55.065 54.840 -0.082 0.000 0.835 416 L CB -0.403 41.637 42.059 -0.032 0.000 0.953 416 L HN 0.197 nan 8.230 nan 0.000 0.454 417 K N 0.101 120.413 120.400 -0.146 0.000 3.653 417 K HA -0.139 4.181 4.320 0.001 0.000 0.275 417 K C -2.199 174.436 176.600 0.059 0.000 0.962 417 K CA -0.255 56.013 56.287 -0.031 0.000 0.773 417 K CB -1.521 31.045 32.500 0.110 0.000 1.463 417 K HN 0.253 nan 8.250 nan 0.000 0.450 418 P HA -0.013 nan 4.420 nan 0.000 0.269 418 P C -0.091 177.322 177.300 0.189 0.000 1.215 418 P CA 0.281 63.421 63.100 0.066 0.000 0.780 418 P CB 0.672 32.384 31.700 0.020 0.000 0.898 419 E N 0.945 121.211 120.200 0.109 0.000 2.314 419 E HA 0.147 4.497 4.350 0.001 0.000 0.262 419 E C 0.340 176.983 176.600 0.072 0.000 1.093 419 E CA -0.649 55.805 56.400 0.089 0.000 0.908 419 E CB 0.197 29.924 29.700 0.046 0.000 1.091 419 E HN 0.374 nan 8.360 nan 0.000 0.425 420 N N -1.441 117.285 118.700 0.044 0.000 2.878 420 N HA -0.163 4.578 4.740 0.001 0.000 0.247 420 N C -0.670 174.853 175.510 0.022 0.000 1.021 420 N CA 1.227 54.289 53.050 0.020 0.000 0.873 420 N CB -1.851 36.642 38.487 0.011 0.000 1.128 420 N HN 0.332 nan 8.380 nan 0.000 0.571 421 V N -3.222 116.724 119.914 0.053 0.000 3.078 421 V HA 0.775 4.896 4.120 0.001 0.000 0.311 421 V C -0.178 175.938 176.094 0.035 0.000 1.138 421 V CA -0.910 61.423 62.300 0.055 0.000 1.007 421 V CB 3.103 34.977 31.823 0.086 0.000 1.045 421 V HN 0.141 nan 8.190 nan 0.000 0.432 422 E N 1.792 121.994 120.200 0.004 0.000 2.224 422 E HA 0.711 5.061 4.350 0.001 0.000 0.265 422 E C -1.905 174.637 176.600 -0.096 0.000 0.878 422 E CA -0.818 55.547 56.400 -0.058 0.000 0.759 422 E CB 2.070 31.724 29.700 -0.076 0.000 1.164 422 E HN 0.768 nan 8.360 nan 0.000 0.414 423 I N 3.915 124.398 120.570 -0.144 0.000 2.465 423 I HA 0.263 4.433 4.170 0.001 0.000 0.291 423 I C -0.493 175.304 176.117 -0.533 0.000 1.014 423 I CA -0.642 60.467 61.300 -0.319 0.000 1.093 423 I CB 1.647 39.415 38.000 -0.387 0.000 1.267 423 I HN 0.444 nan 8.210 nan 0.000 0.431 424 H N 6.074 125.035 119.070 -0.182 0.000 2.488 424 H HA 0.422 4.978 4.556 0.001 0.000 0.322 424 H C -1.228 173.994 175.328 -0.177 0.000 1.078 424 H CA -0.430 55.623 56.048 0.008 0.000 1.260 424 H CB 1.214 31.044 29.762 0.114 0.000 1.425 424 H HN 0.345 nan 8.280 nan 0.000 0.471 425 F N 3.744 123.874 119.950 0.301 0.000 2.375 425 F HA 0.337 4.864 4.527 0.001 0.000 0.361 425 F C 0.042 175.940 175.800 0.163 0.000 1.117 425 F CA -0.527 57.593 58.000 0.199 0.000 1.037 425 F CB 0.947 40.055 39.000 0.179 0.000 1.192 425 F HN 0.165 nan 8.300 nan 0.000 0.452 426 L N 2.519 123.857 121.223 0.191 0.000 2.362 426 L HA 0.716 5.056 4.340 0.001 0.000 0.271 426 L C -0.279 176.466 176.870 -0.208 0.000 1.002 426 L CA -0.742 54.089 54.840 -0.015 0.000 0.818 426 L CB 2.266 44.322 42.059 -0.006 0.000 1.298 426 L HN 0.511 nan 8.230 nan 0.000 0.420 427 S N 1.412 116.806 115.700 -0.510 0.000 2.649 427 S HA 0.629 5.099 4.470 0.001 0.000 0.274 427 S C -0.637 173.368 174.600 -0.992 0.000 1.176 427 S CA -0.475 57.390 58.200 -0.559 0.000 0.988 427 S CB 1.616 64.665 63.200 -0.252 0.000 1.071 427 S HN 0.686 nan 8.310 nan 0.000 0.478 428 A N 4.708 126.887 122.820 -1.070 0.000 2.666 428 A HA 0.533 4.854 4.320 0.001 0.000 0.301 428 A C -0.006 177.288 177.584 -0.484 0.000 1.470 428 A CA -0.228 51.138 52.037 -1.118 0.000 1.159 428 A CB -0.539 17.600 19.000 -1.435 0.000 1.116 428 A HN 0.763 nan 8.150 nan 0.000 0.548 429 V N 2.462 122.320 119.914 -0.092 0.000 2.509 429 V HA 0.536 4.656 4.120 0.001 0.000 0.284 429 V C 0.558 176.809 176.094 0.261 0.000 1.047 429 V CA -0.094 62.243 62.300 0.062 0.000 0.952 429 V CB 0.178 32.018 31.823 0.028 0.000 0.988 429 V HN 1.273 nan 8.190 nan 0.000 0.469 430 C N 2.147 121.559 119.300 0.187 0.000 3.249 430 C HA 0.749 5.209 4.460 0.001 0.000 0.350 430 C C -1.028 174.039 174.990 0.129 0.000 1.431 430 C CA -0.910 58.213 59.018 0.175 0.000 1.209 430 C CB 1.496 29.355 27.740 0.199 0.000 1.546 430 C HN 0.904 nan 8.230 nan 0.000 0.450 431 E N 0.751 121.036 120.200 0.140 0.000 2.248 431 E HA 0.470 4.821 4.350 0.001 0.000 0.267 431 E C -1.490 175.200 176.600 0.150 0.000 0.877 431 E CA -0.320 56.181 56.400 0.168 0.000 0.759 431 E CB 1.560 31.407 29.700 0.244 0.000 1.182 431 E HN 0.647 nan 8.360 nan 0.000 0.418 432 N N 4.931 123.715 118.700 0.141 0.000 2.527 432 N HA 0.226 4.966 4.740 0.001 0.000 0.236 432 N C -1.142 174.463 175.510 0.159 0.000 0.999 432 N CA -0.099 53.029 53.050 0.131 0.000 0.935 432 N CB 0.385 38.928 38.487 0.093 0.000 1.132 432 N HN 0.423 nan 8.380 nan 0.000 0.511 433 M N 1.487 121.182 119.600 0.159 0.000 2.761 433 M HA 0.467 4.947 4.480 0.001 0.000 0.305 433 M C -0.599 175.737 176.300 0.060 0.000 1.235 433 M CA -1.057 54.324 55.300 0.134 0.000 0.850 433 M CB 1.669 34.345 32.600 0.127 0.000 1.744 433 M HN -0.047 nan 8.290 nan 0.000 0.480 434 V N 0.777 120.677 119.914 -0.024 0.000 2.394 434 V HA 0.688 4.808 4.120 0.001 0.000 0.282 434 V C -0.012 176.030 176.094 -0.087 0.000 1.031 434 V CA -0.218 61.972 62.300 -0.185 0.000 0.881 434 V CB 1.282 32.899 31.823 -0.344 0.000 0.982 434 V HN 0.948 nan 8.190 nan 0.000 0.451 435 S N 2.863 118.561 115.700 -0.005 0.000 2.587 435 S HA 0.344 4.814 4.470 0.001 0.000 0.269 435 S C 0.671 175.384 174.600 0.188 0.000 1.154 435 S CA -0.330 57.915 58.200 0.075 0.000 0.824 435 S CB 1.766 65.010 63.200 0.074 0.000 1.118 435 S HN 0.873 nan 8.310 nan 0.000 0.462 436 K N 1.623 122.101 120.400 0.130 0.000 2.281 436 K HA -0.041 4.279 4.320 0.001 0.000 0.203 436 K C 0.773 177.440 176.600 0.110 0.000 1.046 436 K CA 2.055 58.417 56.287 0.124 0.000 0.938 436 K CB -0.560 31.980 32.500 0.066 0.000 0.737 436 K HN 0.538 nan 8.250 nan 0.000 0.458 437 N N 0.461 119.224 118.700 0.105 0.000 2.336 437 N HA 0.041 4.782 4.740 0.001 0.000 0.189 437 N C -0.583 175.004 175.510 0.128 0.000 1.113 437 N CA -0.314 52.787 53.050 0.086 0.000 0.858 437 N CB 0.566 39.084 38.487 0.051 0.000 0.970 437 N HN 0.049 nan 8.380 nan 0.000 0.471 438 S N 0.934 116.762 115.700 0.214 0.000 2.585 438 S HA 0.031 4.501 4.470 0.001 0.000 0.273 438 S C -0.170 174.614 174.600 0.307 0.000 1.339 438 S CA -0.641 57.741 58.200 0.303 0.000 1.028 438 S CB 0.184 63.665 63.200 0.468 0.000 0.906 438 S HN 0.287 nan 8.310 nan 0.000 0.528 439 Y N 1.281 121.634 120.300 0.089 0.000 2.457 439 Y HA 0.523 5.073 4.550 0.001 0.000 0.341 439 Y C 0.099 176.027 175.900 0.047 0.000 1.240 439 Y CA -0.975 57.153 58.100 0.047 0.000 1.437 439 Y CB 0.168 38.651 38.460 0.038 0.000 1.328 439 Y HN 0.457 nan 8.280 nan 0.000 0.588 440 R N 2.579 123.010 120.500 -0.115 0.000 2.778 440 R HA 0.487 4.827 4.340 0.001 0.000 0.277 440 R C -2.673 173.449 176.300 -0.296 0.000 0.977 440 R CA -2.251 53.687 56.100 -0.270 0.000 0.950 440 R CB 0.995 31.143 30.300 -0.253 0.000 1.165 440 R HN 0.468 nan 8.270 nan 0.000 0.474 441 P HA -0.044 nan 4.420 nan 0.000 0.262 441 P C 0.533 177.759 177.300 -0.124 0.000 1.182 441 P CA 1.098 64.089 63.100 -0.181 0.000 0.761 441 P CB 0.548 32.175 31.700 -0.123 0.000 0.795 442 G N 2.213 110.965 108.800 -0.081 0.000 2.258 442 G HA2 -0.201 3.760 3.960 0.001 0.000 0.233 442 G HA3 -0.201 3.760 3.960 0.001 0.000 0.233 442 G C -0.001 174.885 174.900 -0.025 0.000 1.006 442 G CA -0.239 44.834 45.100 -0.045 0.000 0.620 442 G HN 0.504 nan 8.290 nan 0.000 0.511 443 D N 0.653 121.039 120.400 -0.024 0.000 2.472 443 D HA 0.401 5.042 4.640 0.001 0.000 0.237 443 D C 0.810 177.147 176.300 0.062 0.000 1.141 443 D CA 0.453 54.467 54.000 0.024 0.000 0.875 443 D CB 0.624 41.470 40.800 0.076 0.000 1.192 443 D HN 0.383 nan 8.370 nan 0.000 0.450 444 I N 3.524 124.129 120.570 0.059 0.000 2.339 444 I HA 0.308 4.478 4.170 0.001 0.000 0.290 444 I C 0.274 176.445 176.117 0.091 0.000 0.994 444 I CA -0.666 60.683 61.300 0.082 0.000 1.191 444 I CB 0.706 38.749 38.000 0.072 0.000 1.343 444 I HN 0.194 nan 8.210 nan 0.000 0.458 445 I N 1.981 122.621 120.570 0.116 0.000 2.846 445 I HA 0.642 4.813 4.170 0.001 0.000 0.307 445 I C -0.716 175.469 176.117 0.114 0.000 1.053 445 I CA -0.502 60.863 61.300 0.108 0.000 1.050 445 I CB 2.410 40.480 38.000 0.116 0.000 1.239 445 I HN 0.273 nan 8.210 nan 0.000 0.439 446 T N 3.462 118.073 114.554 0.095 0.000 2.770 446 T HA 0.662 5.012 4.350 0.001 0.000 0.283 446 T C 0.176 174.939 174.700 0.106 0.000 0.988 446 T CA -0.412 61.748 62.100 0.100 0.000 0.957 446 T CB 1.343 70.256 68.868 0.075 0.000 0.930 446 T HN 0.831 nan 8.240 nan 0.000 0.443 447 A N 2.261 125.168 122.820 0.146 0.000 2.296 447 A HA 0.510 4.830 4.320 0.001 0.000 0.264 447 A C 1.663 179.325 177.584 0.130 0.000 1.097 447 A CA -0.242 51.885 52.037 0.150 0.000 0.811 447 A CB 0.080 19.239 19.000 0.264 0.000 1.072 447 A HN 0.932 nan 8.150 nan 0.000 0.495 448 S N 0.205 115.975 115.700 0.117 0.000 2.507 448 S HA -0.146 4.325 4.470 0.001 0.000 0.235 448 S C 0.852 175.504 174.600 0.086 0.000 0.988 448 S CA 1.125 59.381 58.200 0.093 0.000 0.944 448 S CB -0.520 62.734 63.200 0.090 0.000 0.762 448 S HN 0.876 nan 8.310 nan 0.000 0.526 449 N N 0.845 119.615 118.700 0.117 0.000 2.276 449 N HA 0.269 5.009 4.740 0.001 0.000 0.212 449 N C 1.144 176.680 175.510 0.043 0.000 1.127 449 N CA 0.401 53.492 53.050 0.068 0.000 0.834 449 N CB -0.307 38.214 38.487 0.057 0.000 1.014 449 N HN 0.516 nan 8.380 nan 0.000 0.491 450 G N 0.074 108.912 108.800 0.063 0.000 2.205 450 G HA2 -0.329 3.631 3.960 0.001 0.000 0.261 450 G HA3 -0.329 3.631 3.960 0.001 0.000 0.261 450 G C -0.183 174.745 174.900 0.048 0.000 0.980 450 G CA 0.200 45.327 45.100 0.044 0.000 0.632 450 G HN 0.477 nan 8.290 nan 0.000 0.533 451 K N 2.147 122.585 120.400 0.063 0.000 2.368 451 K HA 0.431 4.751 4.320 0.001 0.000 0.282 451 K C 0.910 177.584 176.600 0.123 0.000 1.035 451 K CA 0.562 56.882 56.287 0.055 0.000 0.973 451 K CB 0.592 33.078 32.500 -0.024 0.000 0.957 451 K HN 0.386 nan 8.250 nan 0.000 0.474 452 T N 0.450 115.064 114.554 0.099 0.000 2.889 452 T HA 0.505 4.855 4.350 0.001 0.000 0.291 452 T C 0.213 175.014 174.700 0.168 0.000 0.995 452 T CA -0.725 61.449 62.100 0.124 0.000 1.092 452 T CB 0.485 69.411 68.868 0.097 0.000 0.954 452 T HN 0.340 nan 8.240 nan 0.000 0.506 453 I N 1.656 122.345 120.570 0.198 0.000 2.466 453 I HA 0.322 4.492 4.170 0.001 0.000 0.289 453 I C 0.121 176.349 176.117 0.186 0.000 1.026 453 I CA -0.796 60.654 61.300 0.251 0.000 1.078 453 I CB 2.172 40.378 38.000 0.343 0.000 1.249 453 I HN 0.742 nan 8.210 nan 0.000 0.429 454 E N 5.902 126.202 120.200 0.167 0.000 2.152 454 E HA 0.272 4.623 4.350 0.001 0.000 0.285 454 E C -0.935 175.722 176.600 0.096 0.000 1.043 454 E CA -0.615 55.859 56.400 0.123 0.000 0.839 454 E CB 1.091 30.863 29.700 0.120 0.000 1.069 454 E HN 0.376 nan 8.360 nan 0.000 0.399 455 V N 5.101 125.062 119.914 0.078 0.000 2.425 455 V HA 0.076 4.196 4.120 0.001 0.000 0.276 455 V C 1.234 177.316 176.094 -0.021 0.000 1.017 455 V CA 0.866 63.185 62.300 0.032 0.000 1.062 455 V CB 0.948 32.792 31.823 0.036 0.000 0.997 455 V HN 0.922 nan 8.190 nan 0.000 0.476 456 G N 3.888 112.668 108.800 -0.033 0.000 2.796 456 G HA2 0.054 4.014 3.960 0.001 0.000 0.210 456 G HA3 0.054 4.014 3.960 0.001 0.000 0.210 456 G C 0.511 175.373 174.900 -0.063 0.000 1.146 456 G CA 0.051 45.128 45.100 -0.038 0.000 0.779 456 G HN 0.607 nan 8.290 nan 0.000 0.535 457 N N -0.062 118.588 118.700 -0.083 0.000 2.578 457 N HA 0.035 4.775 4.740 0.001 0.000 0.282 457 N C 1.048 176.490 175.510 -0.114 0.000 1.119 457 N CA 0.322 53.318 53.050 -0.090 0.000 0.948 457 N CB 1.260 39.710 38.487 -0.061 0.000 1.546 457 N HN -0.030 nan 8.380 nan 0.000 0.525 458 T N -0.823 113.616 114.554 -0.191 0.000 3.025 458 T HA -0.094 4.257 4.350 0.001 0.000 0.270 458 T C 0.972 175.685 174.700 0.023 0.000 1.126 458 T CA 1.058 63.002 62.100 -0.259 0.000 1.105 458 T CB 0.075 68.698 68.868 -0.409 0.000 0.884 458 T HN 0.347 nan 8.240 nan 0.000 0.522 459 D N 1.579 121.973 120.400 -0.009 0.000 2.355 459 D HA 0.226 4.867 4.640 0.001 0.000 0.218 459 D C 1.295 177.599 176.300 0.007 0.000 1.004 459 D CA 0.238 54.242 54.000 0.007 0.000 0.880 459 D CB -0.307 40.484 40.800 -0.016 0.000 0.911 459 D HN 0.552 nan 8.370 nan 0.000 0.528 460 A N 1.082 123.900 122.820 -0.004 0.000 3.197 460 A HA 0.104 4.424 4.320 0.001 0.000 0.263 460 A C 1.505 179.083 177.584 -0.011 0.000 1.524 460 A CA -0.256 51.759 52.037 -0.037 0.000 1.176 460 A CB -0.350 18.590 19.000 -0.101 0.000 1.096 460 A HN 0.176 nan 8.150 nan 0.000 0.655 461 E N 0.131 120.360 120.200 0.049 0.000 2.230 461 E HA -0.059 4.291 4.350 0.001 0.000 0.192 461 E C 1.563 178.169 176.600 0.010 0.000 0.987 461 E CA 1.302 57.750 56.400 0.080 0.000 0.841 461 E CB -0.891 28.884 29.700 0.126 0.000 0.783 461 E HN 0.364 nan 8.360 nan 0.000 0.481 462 G N 2.776 111.573 108.800 -0.006 0.000 2.440 462 G HA2 -0.350 3.610 3.960 0.001 0.000 0.218 462 G HA3 -0.350 3.610 3.960 0.001 0.000 0.218 462 G C 1.879 176.767 174.900 -0.021 0.000 1.154 462 G CA 1.411 46.502 45.100 -0.014 0.000 0.767 462 G HN 0.467 nan 8.290 nan 0.000 0.552 463 R N 0.329 120.803 120.500 -0.043 0.000 2.152 463 R HA 0.112 4.452 4.340 0.001 0.000 0.232 463 R C 2.252 178.561 176.300 0.015 0.000 1.117 463 R CA 1.090 57.174 56.100 -0.027 0.000 0.981 463 R CB -0.586 29.642 30.300 -0.120 0.000 0.870 463 R HN 0.401 nan 8.270 nan 0.000 0.451 464 L N 1.635 122.834 121.223 -0.041 0.000 2.044 464 L HA -0.095 4.245 4.340 0.001 0.000 0.205 464 L C 2.881 179.736 176.870 -0.026 0.000 1.075 464 L CA 1.864 56.697 54.840 -0.011 0.000 0.747 464 L CB -0.847 41.209 42.059 -0.005 0.000 0.903 464 L HN 0.420 nan 8.230 nan 0.000 0.435 465 T N -1.768 112.777 114.554 -0.015 0.000 2.777 465 T HA -0.130 4.220 4.350 0.001 0.000 0.266 465 T C 1.905 176.530 174.700 -0.124 0.000 1.040 465 T CA 0.872 62.945 62.100 -0.044 0.000 1.141 465 T CB -0.549 68.284 68.868 -0.059 0.000 0.868 465 T HN 0.183 nan 8.240 nan 0.000 0.444 466 L N 1.096 122.267 121.223 -0.087 0.000 2.083 466 L HA 0.011 4.352 4.340 0.001 0.000 0.209 466 L C 3.377 180.181 176.870 -0.109 0.000 1.083 466 L CA 1.112 55.911 54.840 -0.068 0.000 0.752 466 L CB -0.909 41.148 42.059 -0.003 0.000 0.899 466 L HN 0.406 nan 8.230 nan 0.000 0.433 467 A N 0.211 122.899 122.820 -0.220 0.000 1.869 467 A HA -0.295 4.025 4.320 0.001 0.000 0.218 467 A C 1.994 179.387 177.584 -0.319 0.000 1.203 467 A CA 2.343 54.023 52.037 -0.594 0.000 0.638 467 A CB -0.708 17.551 19.000 -1.235 0.000 0.831 467 A HN 0.382 nan 8.150 nan 0.000 0.450 468 D N -0.392 119.913 120.400 -0.158 0.000 2.178 468 D HA -0.014 4.626 4.640 0.001 0.000 0.202 468 D C 2.196 178.557 176.300 0.100 0.000 0.974 468 D CA 1.371 55.379 54.000 0.015 0.000 0.841 468 D CB -0.331 40.531 40.800 0.103 0.000 0.953 468 D HN 0.449 nan 8.370 nan 0.000 0.478 469 A N 0.553 123.418 122.820 0.075 0.000 1.969 469 A HA -0.078 4.243 4.320 0.001 0.000 0.218 469 A C 2.367 180.066 177.584 0.190 0.000 1.169 469 A CA 0.660 52.816 52.037 0.199 0.000 0.635 469 A CB -0.564 18.428 19.000 -0.013 0.000 0.810 469 A HN 0.181 nan 8.150 nan 0.000 0.445 470 L N -0.754 120.520 121.223 0.085 0.000 2.056 470 L HA -0.129 4.212 4.340 0.001 0.000 0.207 470 L C 2.519 179.441 176.870 0.086 0.000 1.078 470 L CA 0.849 55.729 54.840 0.067 0.000 0.749 470 L CB -0.471 41.568 42.059 -0.034 0.000 0.901 470 L HN 0.235 nan 8.230 nan 0.000 0.433 471 V N -0.824 119.152 119.914 0.103 0.000 2.295 471 V HA -0.362 3.758 4.120 0.001 0.000 0.246 471 V C 2.216 178.367 176.094 0.094 0.000 1.049 471 V CA 2.034 64.392 62.300 0.098 0.000 1.024 471 V CB -0.672 31.224 31.823 0.123 0.000 0.648 471 V HN 0.402 nan 8.190 nan 0.000 0.447 472 Y N 1.192 121.488 120.300 -0.006 0.000 2.114 472 Y HA -0.309 4.241 4.550 0.001 0.000 0.282 472 Y C 2.414 178.290 175.900 -0.039 0.000 1.165 472 Y CA 2.026 60.095 58.100 -0.051 0.000 1.148 472 Y CB -0.477 37.915 38.460 -0.113 0.000 0.972 472 Y HN 0.171 nan 8.280 nan 0.000 0.504 473 A N 0.040 123.003 122.820 0.238 0.000 1.883 473 A HA -0.290 4.031 4.320 0.001 0.000 0.217 473 A C 2.187 179.770 177.584 -0.002 0.000 1.186 473 A CA 2.029 54.133 52.037 0.111 0.000 0.624 473 A CB -0.998 18.096 19.000 0.157 0.000 0.822 473 A HN 0.663 nan 8.150 nan 0.000 0.444 474 E N -0.184 120.022 120.200 0.011 0.000 2.110 474 E HA -0.198 4.153 4.350 0.001 0.000 0.193 474 E C 1.844 178.404 176.600 -0.067 0.000 0.988 474 E CA 1.294 57.686 56.400 -0.014 0.000 0.804 474 E CB -0.098 29.598 29.700 -0.007 0.000 0.745 474 E HN 0.612 nan 8.360 nan 0.000 0.458 475 K N 0.075 120.405 120.400 -0.116 0.000 2.360 475 K HA -0.090 4.231 4.320 0.001 0.000 0.201 475 K C 1.900 178.382 176.600 -0.195 0.000 1.046 475 K CA 0.610 56.800 56.287 -0.161 0.000 0.945 475 K CB 0.019 32.385 32.500 -0.223 0.000 0.750 475 K HN 0.261 nan 8.250 nan 0.000 0.464 476 L N -0.139 120.946 121.223 -0.229 0.000 2.376 476 L HA 0.011 4.352 4.340 0.001 0.000 0.219 476 L C 0.891 177.683 176.870 -0.130 0.000 1.133 476 L CA 0.443 55.136 54.840 -0.244 0.000 0.816 476 L CB -0.447 41.377 42.059 -0.391 0.000 0.933 476 L HN 0.362 nan 8.230 nan 0.000 0.449 477 G N 1.412 110.163 108.800 -0.083 0.000 2.368 477 G HA2 -0.194 3.766 3.960 0.001 0.000 0.290 477 G HA3 -0.194 3.766 3.960 0.001 0.000 0.290 477 G C -0.012 174.879 174.900 -0.016 0.000 1.098 477 G CA 0.213 45.287 45.100 -0.043 0.000 1.073 477 G HN 0.233 nan 8.290 nan 0.000 0.511 478 V N -2.946 116.968 119.914 -0.000 0.000 2.966 478 V HA 0.727 4.848 4.120 0.001 0.000 0.317 478 V C 1.077 177.157 176.094 -0.022 0.000 1.070 478 V CA -0.031 62.284 62.300 0.025 0.000 1.008 478 V CB 1.760 33.637 31.823 0.090 0.000 1.070 478 V HN 0.089 nan 8.190 nan 0.000 0.457 479 D N -0.031 120.308 120.400 -0.101 0.000 2.162 479 D HA 0.052 4.693 4.640 0.001 0.000 0.203 479 D C -0.306 175.819 176.300 -0.292 0.000 0.967 479 D CA 2.013 55.833 54.000 -0.300 0.000 0.840 479 D CB 0.068 40.540 40.800 -0.546 0.000 0.972 479 D HN 0.651 nan 8.370 nan 0.000 0.482 480 Y N -0.453 119.928 120.300 0.135 0.000 2.457 480 Y HA 0.474 5.025 4.550 0.001 0.000 0.343 480 Y C -0.136 175.878 175.900 0.191 0.000 0.994 480 Y CA -0.971 57.237 58.100 0.181 0.000 1.031 480 Y CB 1.714 40.336 38.460 0.269 0.000 1.246 480 Y HN -0.300 nan 8.280 nan 0.000 0.449 481 I N 3.590 124.391 120.570 0.384 0.000 2.389 481 I HA 0.519 4.689 4.170 0.001 0.000 0.288 481 I C -1.024 175.269 176.117 0.293 0.000 0.999 481 I CA -0.945 60.558 61.300 0.338 0.000 1.129 481 I CB 1.481 39.704 38.000 0.372 0.000 1.288 481 I HN 0.235 nan 8.210 nan 0.000 0.444 482 V N 4.974 124.999 119.914 0.184 0.000 2.409 482 V HA 0.273 4.393 4.120 0.001 0.000 0.291 482 V C -0.583 175.580 176.094 0.116 0.000 1.020 482 V CA -0.631 61.688 62.300 0.033 0.000 0.848 482 V CB 1.768 33.488 31.823 -0.172 0.000 0.990 482 V HN 0.840 nan 8.190 nan 0.000 0.430 483 D N 4.156 124.663 120.400 0.178 0.000 2.181 483 D HA 0.644 5.284 4.640 0.001 0.000 0.248 483 D C -0.558 175.827 176.300 0.141 0.000 1.020 483 D CA -0.512 53.617 54.000 0.216 0.000 0.891 483 D CB 2.330 43.345 40.800 0.359 0.000 1.187 483 D HN 0.506 nan 8.370 nan 0.000 0.443 484 I N 0.933 121.568 120.570 0.109 0.000 2.498 484 I HA 0.721 4.892 4.170 0.001 0.000 0.290 484 I C -1.667 174.488 176.117 0.063 0.000 1.032 484 I CA -0.610 60.726 61.300 0.060 0.000 1.073 484 I CB 1.344 39.373 38.000 0.049 0.000 1.251 484 I HN 0.779 nan 8.210 nan 0.000 0.426 485 A N 3.411 126.258 122.820 0.045 0.000 2.566 485 A HA 0.522 4.842 4.320 0.001 0.000 0.297 485 A C -0.428 177.146 177.584 -0.017 0.000 1.059 485 A CA -0.467 51.592 52.037 0.037 0.000 0.691 485 A CB 1.239 20.325 19.000 0.143 0.000 1.282 485 A HN 0.683 nan 8.150 nan 0.000 0.401 486 T N 1.324 115.809 114.554 -0.116 0.000 4.104 486 T HA 0.301 4.652 4.350 0.001 0.000 0.285 486 T C 0.756 175.429 174.700 -0.044 0.000 1.346 486 T CA -0.002 61.992 62.100 -0.176 0.000 1.158 486 T CB -0.378 68.144 68.868 -0.576 0.000 1.290 486 T HN 0.533 nan 8.240 nan 0.000 0.975 487 L N 2.504 123.756 121.223 0.049 0.000 2.145 487 L HA 0.295 4.636 4.340 0.001 0.000 0.201 487 L C 1.140 178.061 176.870 0.085 0.000 1.075 487 L CA 1.165 56.057 54.840 0.087 0.000 0.773 487 L CB 0.070 42.239 42.059 0.182 0.000 0.936 487 L HN 0.790 nan 8.230 nan 0.000 0.451 488 T N -4.504 110.118 114.554 0.113 0.000 2.881 488 T HA 0.504 4.855 4.350 0.001 0.000 0.290 488 T C 0.883 175.669 174.700 0.143 0.000 1.000 488 T CA -0.316 61.850 62.100 0.111 0.000 0.978 488 T CB 1.379 70.311 68.868 0.107 0.000 0.997 488 T HN 0.112 nan 8.240 nan 0.000 0.443 489 G N 1.103 109.987 108.800 0.140 0.000 2.470 489 G HA2 0.039 3.999 3.960 0.001 0.000 0.220 489 G HA3 0.039 3.999 3.960 0.001 0.000 0.220 489 G C 1.560 176.597 174.900 0.228 0.000 1.121 489 G CA 0.558 45.762 45.100 0.174 0.000 0.766 489 G HN 1.144 nan 8.290 nan 0.000 0.553 490 A N 0.578 123.514 122.820 0.193 0.000 2.125 490 A HA 0.024 4.344 4.320 0.001 0.000 0.219 490 A C 2.331 180.068 177.584 0.255 0.000 1.156 490 A CA 1.485 53.661 52.037 0.232 0.000 0.671 490 A CB -0.295 18.780 19.000 0.125 0.000 0.794 490 A HN 0.309 nan 8.150 nan 0.000 0.459 491 M N -0.545 119.179 119.600 0.207 0.000 2.202 491 M HA -0.082 4.398 4.480 0.001 0.000 0.262 491 M C 1.958 178.333 176.300 0.124 0.000 1.063 491 M CA 1.163 56.568 55.300 0.175 0.000 1.097 491 M CB -1.312 31.383 32.600 0.158 0.000 1.382 491 M HN 0.431 nan 8.290 nan 0.000 0.413 492 L N -1.718 119.566 121.223 0.101 0.000 2.191 492 L HA -0.220 4.121 4.340 0.001 0.000 0.212 492 L C 1.828 178.562 176.870 -0.228 0.000 1.103 492 L CA 1.138 55.933 54.840 -0.076 0.000 0.769 492 L CB -0.566 41.386 42.059 -0.178 0.000 0.908 492 L HN 0.236 nan 8.230 nan 0.000 0.438 493 Y N -1.698 118.610 120.300 0.014 0.000 2.478 493 Y HA -0.032 4.518 4.550 0.001 0.000 0.261 493 Y C 2.612 178.510 175.900 -0.003 0.000 1.127 493 Y CA 0.604 58.703 58.100 -0.002 0.000 1.288 493 Y CB 0.147 38.607 38.460 0.001 0.000 1.084 493 Y HN 0.197 nan 8.280 nan 0.000 0.530 494 S N -1.170 114.611 115.700 0.136 0.000 2.655 494 S HA 0.092 4.562 4.470 0.001 0.000 0.231 494 S C 1.429 176.027 174.600 -0.003 0.000 1.044 494 S CA 0.266 58.515 58.200 0.081 0.000 0.910 494 S CB -0.449 62.826 63.200 0.125 0.000 0.833 494 S HN 0.305 nan 8.310 nan 0.000 0.581 495 L N 0.973 122.199 121.223 0.005 0.000 2.575 495 L HA 0.432 4.772 4.340 0.001 0.000 0.228 495 L C 1.606 178.436 176.870 -0.066 0.000 1.075 495 L CA 0.359 55.166 54.840 -0.055 0.000 0.867 495 L CB -0.364 41.713 42.059 0.030 0.000 1.097 495 L HN 0.712 nan 8.230 nan 0.000 0.485 496 G N 1.164 109.945 108.800 -0.031 0.000 2.512 496 G HA2 -0.347 3.614 3.960 0.001 0.000 0.240 496 G HA3 -0.347 3.614 3.960 0.001 0.000 0.240 496 G C 0.602 175.521 174.900 0.033 0.000 1.246 496 G CA 0.247 45.324 45.100 -0.040 0.000 0.919 496 G HN 0.208 nan 8.290 nan 0.000 0.577 497 T N -2.768 111.821 114.554 0.058 0.000 3.060 497 T HA 0.449 4.800 4.350 0.001 0.000 0.249 497 T C 2.109 176.891 174.700 0.136 0.000 1.079 497 T CA 1.718 63.901 62.100 0.138 0.000 1.013 497 T CB 0.408 69.398 68.868 0.203 0.000 0.975 497 T HN 0.648 nan 8.240 nan 0.000 0.518 498 S N -0.220 115.569 115.700 0.147 0.000 2.468 498 S HA 0.307 4.777 4.470 0.001 0.000 0.226 498 S C -0.113 174.749 174.600 0.437 0.000 1.051 498 S CA -0.195 58.169 58.200 0.272 0.000 0.943 498 S CB -0.069 63.301 63.200 0.283 0.000 0.810 498 S HN 0.632 nan 8.310 nan 0.000 0.509 499 Y N 1.013 121.338 120.300 0.043 0.000 2.352 499 Y HA 0.627 5.178 4.550 0.001 0.000 0.339 499 Y C 0.295 176.189 175.900 -0.010 0.000 0.992 499 Y CA -1.371 56.772 58.100 0.072 0.000 1.100 499 Y CB 1.140 39.658 38.460 0.097 0.000 1.192 499 Y HN 0.115 nan 8.280 nan 0.000 0.458 500 A N 2.088 124.947 122.820 0.064 0.000 2.351 500 A HA 0.590 4.911 4.320 0.001 0.000 0.257 500 A C 0.401 178.041 177.584 0.093 0.000 1.087 500 A CA -0.011 51.998 52.037 -0.047 0.000 0.798 500 A CB 0.128 19.015 19.000 -0.188 0.000 1.033 500 A HN 0.868 nan 8.150 nan 0.000 0.488 501 G N -0.651 108.185 108.800 0.060 0.000 2.356 501 G HA2 0.506 4.467 3.960 0.001 0.000 0.298 501 G HA3 0.506 4.467 3.960 0.001 0.000 0.298 501 G C -0.817 174.032 174.900 -0.085 0.000 1.145 501 G CA -0.233 44.871 45.100 0.006 0.000 0.850 501 G HN 1.162 nan 8.290 nan 0.000 0.487 502 V N 2.909 122.712 119.914 -0.186 0.000 2.495 502 V HA 0.828 4.949 4.120 0.001 0.000 0.298 502 V C -1.164 174.783 176.094 -0.246 0.000 1.031 502 V CA -0.896 61.303 62.300 -0.168 0.000 0.871 502 V CB 1.011 32.738 31.823 -0.161 0.000 0.988 502 V HN 0.552 nan 8.190 nan 0.000 0.432 503 F N 4.090 124.039 119.950 -0.001 0.000 2.579 503 F HA 0.975 5.502 4.527 0.001 0.000 0.324 503 F C 0.672 176.355 175.800 -0.196 0.000 1.058 503 F CA -0.078 57.970 58.000 0.081 0.000 0.944 503 F CB 2.573 41.671 39.000 0.165 0.000 1.245 503 F HN 0.776 nan 8.300 nan 0.000 0.477 504 G N 0.454 109.289 108.800 0.058 0.000 2.523 504 G HA2 0.263 4.224 3.960 0.001 0.000 0.291 504 G HA3 0.263 4.224 3.960 0.001 0.000 0.291 504 G C -1.259 173.686 174.900 0.075 0.000 1.450 504 G CA -0.920 44.034 45.100 -0.243 0.000 0.790 504 G HN 0.613 nan 8.290 nan 0.000 0.496 505 N N -0.381 118.423 118.700 0.173 0.000 2.230 505 N HA 0.092 4.832 4.740 0.001 0.000 0.202 505 N C 0.001 175.612 175.510 0.168 0.000 1.119 505 N CA -0.303 52.916 53.050 0.281 0.000 0.851 505 N CB 0.607 39.352 38.487 0.429 0.000 0.990 505 N HN 0.452 nan 8.380 nan 0.000 0.497 506 N N 0.632 119.376 118.700 0.074 0.000 2.519 506 N HA 0.086 4.826 4.740 0.001 0.000 0.291 506 N C -0.422 175.037 175.510 -0.085 0.000 1.107 506 N CA -0.110 52.961 53.050 0.035 0.000 0.904 506 N CB 1.627 40.167 38.487 0.088 0.000 1.500 506 N HN 0.013 nan 8.380 nan 0.000 0.510 507 E N 0.830 120.976 120.200 -0.091 0.000 2.150 507 E HA -0.135 4.215 4.350 0.001 0.000 0.193 507 E C 0.768 177.221 176.600 -0.245 0.000 0.985 507 E CA 1.266 57.525 56.400 -0.235 0.000 0.814 507 E CB 0.434 30.052 29.700 -0.137 0.000 0.752 507 E HN 0.585 nan 8.360 nan 0.000 0.466 508 E N 0.627 120.755 120.200 -0.120 0.000 2.072 508 E HA -0.161 4.190 4.350 0.001 0.000 0.191 508 E C 1.966 178.478 176.600 -0.146 0.000 0.985 508 E CA 0.765 57.107 56.400 -0.097 0.000 0.801 508 E CB -0.452 29.246 29.700 -0.004 0.000 0.750 508 E HN 0.225 nan 8.360 nan 0.000 0.452 509 L N 0.563 121.695 121.223 -0.152 0.000 2.017 509 L HA -0.052 4.289 4.340 0.001 0.000 0.208 509 L C 2.225 178.889 176.870 -0.344 0.000 1.073 509 L CA 1.651 56.325 54.840 -0.277 0.000 0.745 509 L CB -0.610 41.312 42.059 -0.229 0.000 0.894 509 L HN 0.201 nan 8.230 nan 0.000 0.432 510 I N 0.052 120.380 120.570 -0.403 0.000 2.163 510 I HA -0.351 3.819 4.170 0.001 0.000 0.243 510 I C 2.166 177.997 176.117 -0.477 0.000 1.085 510 I CA 1.460 62.430 61.300 -0.550 0.000 1.347 510 I CB -0.589 36.856 38.000 -0.924 0.000 1.044 510 I HN 0.382 nan 8.210 nan 0.000 0.408 511 N N 0.933 119.383 118.700 -0.417 0.000 2.149 511 N HA -0.188 4.552 4.740 0.001 0.000 0.188 511 N C 1.740 177.136 175.510 -0.191 0.000 1.019 511 N CA 1.277 54.154 53.050 -0.289 0.000 0.857 511 N CB -0.268 38.084 38.487 -0.225 0.000 0.997 511 N HN 0.402 nan 8.380 nan 0.000 0.426 512 K N 0.336 120.641 120.400 -0.158 0.000 2.057 512 K HA -0.037 4.284 4.320 0.001 0.000 0.207 512 K C 1.853 178.436 176.600 -0.029 0.000 1.049 512 K CA 0.728 56.990 56.287 -0.041 0.000 0.931 512 K CB 0.021 32.554 32.500 0.055 0.000 0.714 512 K HN 0.114 nan 8.250 nan 0.000 0.440 513 I N 1.354 121.805 120.570 -0.198 0.000 2.202 513 I HA -0.234 3.937 4.170 0.001 0.000 0.242 513 I C 2.272 178.285 176.117 -0.174 0.000 1.091 513 I CA 1.388 62.533 61.300 -0.259 0.000 1.368 513 I CB -1.087 36.678 38.000 -0.391 0.000 1.058 513 I HN 0.176 nan 8.210 nan 0.000 0.410 514 L N 0.203 121.307 121.223 -0.198 0.000 2.043 514 L HA -0.280 4.061 4.340 0.001 0.000 0.212 514 L C 2.693 179.497 176.870 -0.110 0.000 1.075 514 L CA 1.466 56.208 54.840 -0.164 0.000 0.752 514 L CB -0.721 41.215 42.059 -0.205 0.000 0.891 514 L HN 0.284 nan 8.230 nan 0.000 0.432 515 Q N 0.237 119.983 119.800 -0.090 0.000 2.050 515 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 515 Q C 2.286 178.269 176.000 -0.028 0.000 0.980 515 Q CA 2.353 58.126 55.803 -0.051 0.000 0.840 515 Q CB -0.335 28.382 28.738 -0.035 0.000 0.898 515 Q HN 0.333 nan 8.270 nan 0.000 0.424 516 S N -0.296 115.400 115.700 -0.006 0.000 2.399 516 S HA -0.156 4.314 4.470 0.001 0.000 0.231 516 S C 1.927 176.508 174.600 -0.031 0.000 1.022 516 S CA 1.063 59.273 58.200 0.017 0.000 0.983 516 S CB -0.568 62.680 63.200 0.079 0.000 0.803 516 S HN 0.544 nan 8.310 nan 0.000 0.480 517 S N 1.337 116.997 115.700 -0.067 0.000 2.368 517 S HA -0.167 4.303 4.470 0.001 0.000 0.225 517 S C 2.044 176.589 174.600 -0.092 0.000 1.030 517 S CA 1.788 59.934 58.200 -0.090 0.000 0.999 517 S CB -0.282 62.861 63.200 -0.094 0.000 0.844 517 S HN 0.439 nan 8.310 nan 0.000 0.459 518 K N 0.451 120.808 120.400 -0.073 0.000 2.025 518 K HA -0.065 4.256 4.320 0.001 0.000 0.207 518 K C 2.474 179.041 176.600 -0.054 0.000 1.049 518 K CA 2.088 58.336 56.287 -0.066 0.000 0.933 518 K CB -1.514 30.957 32.500 -0.047 0.000 0.714 518 K HN 0.886 nan 8.250 nan 0.000 0.438 519 T N -1.620 112.920 114.554 -0.023 0.000 3.014 519 T HA -0.043 4.307 4.350 0.001 0.000 0.263 519 T C 2.047 176.769 174.700 0.036 0.000 1.078 519 T CA 1.364 63.469 62.100 0.008 0.000 1.135 519 T CB -0.382 68.503 68.868 0.028 0.000 0.895 519 T HN 0.466 nan 8.240 nan 0.000 0.480 520 S N 1.692 117.404 115.700 0.021 0.000 2.489 520 S HA 0.020 4.490 4.470 0.001 0.000 0.228 520 S C 1.102 175.693 174.600 -0.015 0.000 0.995 520 S CA 0.241 58.469 58.200 0.047 0.000 0.934 520 S CB -0.731 62.457 63.200 -0.019 0.000 0.771 520 S HN 0.545 nan 8.310 nan 0.000 0.522 521 N N 1.605 120.223 118.700 -0.138 0.000 2.714 521 N HA -0.133 4.608 4.740 0.001 0.000 0.250 521 N C -1.229 174.143 175.510 -0.230 0.000 1.117 521 N CA 1.057 53.918 53.050 -0.315 0.000 0.719 521 N CB -1.292 36.710 38.487 -0.808 0.000 1.081 521 N HN 0.739 nan 8.380 nan 0.000 0.557 522 E N 0.770 120.857 120.200 -0.188 0.000 2.073 522 E HA 0.289 4.640 4.350 0.001 0.000 0.269 522 E C -2.432 174.100 176.600 -0.112 0.000 0.917 522 E CA -1.618 54.637 56.400 -0.241 0.000 0.757 522 E CB 1.116 30.428 29.700 -0.647 0.000 1.111 522 E HN 0.097 nan 8.360 nan 0.000 0.410 523 P HA 0.119 nan 4.420 nan 0.000 0.276 523 P C -0.718 176.533 177.300 -0.081 0.000 1.230 523 P CA -0.233 62.715 63.100 -0.252 0.000 0.776 523 P CB 0.968 32.256 31.700 -0.687 0.000 0.888 524 V N 3.507 123.360 119.914 -0.103 0.000 2.971 524 V HA 0.492 4.612 4.120 0.001 0.000 0.309 524 V C -1.183 175.018 176.094 0.178 0.000 1.130 524 V CA -0.598 61.747 62.300 0.076 0.000 0.964 524 V CB 2.907 34.753 31.823 0.038 0.000 1.029 524 V HN 0.638 nan 8.190 nan 0.000 0.427 525 W N 3.591 124.933 121.300 0.071 0.000 2.785 525 W HA 0.449 5.110 4.660 0.001 0.000 0.333 525 W C -1.633 174.927 176.519 0.068 0.000 1.062 525 W CA -0.825 56.594 57.345 0.122 0.000 1.233 525 W CB 2.112 31.698 29.460 0.211 0.000 1.413 525 W HN 0.748 nan 8.180 nan 0.000 0.489 526 W N 7.562 128.548 121.300 -0.522 0.000 2.311 526 W HA 0.501 5.162 4.660 0.000 0.000 0.310 526 W C -1.367 174.983 176.519 -0.282 0.000 1.274 526 W CA -0.666 56.437 57.345 -0.403 0.000 1.215 526 W CB 0.135 29.349 29.460 -0.409 0.000 1.227 526 W HN 0.186 nan 8.180 nan 0.000 0.523 527 L N 8.878 129.917 121.223 -0.306 0.000 2.319 527 L HA 0.565 4.905 4.340 0.001 0.000 0.267 527 L C -1.791 174.836 176.870 -0.404 0.000 1.011 527 L CA -2.287 52.286 54.840 -0.444 0.000 0.818 527 L CB 2.220 43.915 42.059 -0.607 0.000 1.316 527 L HN 0.279 nan 8.230 nan 0.000 0.432 528 P HA 0.339 nan 4.420 nan 0.000 0.284 528 P C -0.960 176.517 177.300 0.294 0.000 1.258 528 P CA -0.348 62.730 63.100 -0.037 0.000 0.824 528 P CB 1.211 32.852 31.700 -0.099 0.000 1.038 529 I N 2.841 123.579 120.570 0.280 0.000 2.306 529 I HA 0.295 4.465 4.170 0.001 0.000 0.288 529 I C 0.351 176.538 176.117 0.117 0.000 1.036 529 I CA -0.538 60.930 61.300 0.281 0.000 1.221 529 I CB 0.316 38.509 38.000 0.323 0.000 1.385 529 I HN 0.102 nan 8.210 nan 0.000 0.472 530 I N 6.716 127.302 120.570 0.027 0.000 2.291 530 I HA 0.125 4.296 4.170 0.001 0.000 0.292 530 I C 1.180 177.168 176.117 -0.215 0.000 1.064 530 I CA -0.212 60.968 61.300 -0.200 0.000 1.269 530 I CB 0.514 38.201 38.000 -0.522 0.000 1.418 530 I HN 0.559 nan 8.210 nan 0.000 0.485 531 N N 4.337 122.969 118.700 -0.112 0.000 2.381 531 N HA -0.175 4.565 4.740 0.001 0.000 0.182 531 N C 1.578 177.047 175.510 -0.069 0.000 1.025 531 N CA 0.740 53.762 53.050 -0.046 0.000 0.888 531 N CB 0.077 38.559 38.487 -0.007 0.000 0.965 531 N HN 0.615 nan 8.380 nan 0.000 0.438 532 E N 0.272 120.372 120.200 -0.166 0.000 2.219 532 E HA -0.184 4.166 4.350 0.001 0.000 0.198 532 E C 0.871 177.494 176.600 0.038 0.000 0.998 532 E CA 1.041 57.380 56.400 -0.102 0.000 0.818 532 E CB -0.049 29.568 29.700 -0.138 0.000 0.741 532 E HN 0.581 nan 8.360 nan 0.000 0.477 533 Y N -1.228 119.099 120.300 0.046 0.000 2.523 533 Y HA 0.029 4.579 4.550 0.001 0.000 0.279 533 Y C 2.272 178.201 175.900 0.049 0.000 1.139 533 Y CA -0.137 57.991 58.100 0.046 0.000 1.296 533 Y CB 0.148 38.640 38.460 0.054 0.000 1.045 533 Y HN -0.027 nan 8.280 nan 0.000 0.538 534 R N 2.025 122.626 120.500 0.169 0.000 2.119 534 R HA -0.228 4.113 4.340 0.001 0.000 0.246 534 R C 2.163 178.522 176.300 0.098 0.000 1.146 534 R CA 1.751 57.921 56.100 0.117 0.000 0.962 534 R CB -0.860 29.482 30.300 0.069 0.000 0.863 534 R HN 0.274 nan 8.270 nan 0.000 0.442 535 A N -0.673 122.200 122.820 0.088 0.000 2.019 535 A HA -0.148 4.172 4.320 0.001 0.000 0.219 535 A C 2.080 179.705 177.584 0.068 0.000 1.164 535 A CA 1.967 54.043 52.037 0.065 0.000 0.644 535 A CB -1.124 17.908 19.000 0.054 0.000 0.805 535 A HN 0.657 nan 8.150 nan 0.000 0.449 536 T N -2.201 112.407 114.554 0.089 0.000 3.072 536 T HA 0.087 4.438 4.350 0.001 0.000 0.266 536 T C 1.294 176.036 174.700 0.069 0.000 1.127 536 T CA 1.027 63.168 62.100 0.067 0.000 1.107 536 T CB -0.410 68.490 68.868 0.055 0.000 0.910 536 T HN 0.343 nan 8.240 nan 0.000 0.513 537 L N 0.613 121.891 121.223 0.091 0.000 2.611 537 L HA 0.287 4.627 4.340 0.001 0.000 0.229 537 L C 0.207 177.131 176.870 0.091 0.000 1.137 537 L CA -0.441 54.465 54.840 0.111 0.000 0.901 537 L CB -0.435 41.721 42.059 0.163 0.000 1.098 537 L HN 0.140 nan 8.230 nan 0.000 0.456 538 N N 1.081 119.817 118.700 0.060 0.000 2.475 538 N HA 0.010 4.750 4.740 0.001 0.000 0.267 538 N C -0.029 175.502 175.510 0.035 0.000 1.169 538 N CA 0.307 53.380 53.050 0.038 0.000 0.947 538 N CB 1.239 39.737 38.487 0.019 0.000 1.061 538 N HN -0.065 nan 8.380 nan 0.000 0.466 539 S N 1.248 116.970 115.700 0.038 0.000 2.541 539 S HA 0.192 4.663 4.470 0.001 0.000 0.283 539 S C 1.240 175.826 174.600 -0.022 0.000 1.196 539 S CA -0.664 57.560 58.200 0.041 0.000 1.062 539 S CB 1.127 64.378 63.200 0.085 0.000 1.009 539 S HN 0.515 nan 8.310 nan 0.000 0.502 540 K N 3.218 123.574 120.400 -0.074 0.000 2.147 540 K HA -0.041 4.279 4.320 0.001 0.000 0.205 540 K C 0.562 176.869 176.600 -0.489 0.000 1.049 540 K CA 2.014 58.125 56.287 -0.293 0.000 0.936 540 K CB -0.252 32.016 32.500 -0.387 0.000 0.722 540 K HN 0.786 nan 8.250 nan 0.000 0.446 541 Y N -1.372 118.942 120.300 0.023 0.000 2.673 541 Y HA 0.450 5.000 4.550 0.001 0.000 0.278 541 Y C 0.944 176.862 175.900 0.029 0.000 1.127 541 Y CA 0.027 58.140 58.100 0.023 0.000 1.261 541 Y CB -0.292 38.180 38.460 0.020 0.000 1.412 541 Y HN 0.003 nan 8.280 nan 0.000 0.496 542 A N 0.369 123.300 122.820 0.186 0.000 2.259 542 A HA 0.176 4.497 4.320 0.001 0.000 0.278 542 A C 0.756 178.391 177.584 0.085 0.000 1.107 542 A CA 0.047 52.163 52.037 0.131 0.000 0.828 542 A CB 0.012 19.097 19.000 0.142 0.000 1.111 542 A HN 0.300 nan 8.150 nan 0.000 0.498 543 D N -0.828 119.617 120.400 0.075 0.000 2.144 543 D HA 0.012 4.653 4.640 0.001 0.000 0.199 543 D C 0.365 176.694 176.300 0.049 0.000 0.984 543 D CA 1.710 55.735 54.000 0.041 0.000 0.834 543 D CB 0.052 40.863 40.800 0.018 0.000 0.955 543 D HN 0.435 nan 8.370 nan 0.000 0.465 544 I N -0.335 120.296 120.570 0.102 0.000 2.841 544 I HA 0.153 4.323 4.170 0.001 0.000 0.298 544 I C -1.481 174.762 176.117 0.209 0.000 1.304 544 I CA -0.786 60.600 61.300 0.143 0.000 1.019 544 I CB 2.039 40.119 38.000 0.133 0.000 1.282 544 I HN -0.344 nan 8.210 nan 0.000 0.432 545 N N 4.999 123.817 118.700 0.198 0.000 2.499 545 N HA 0.153 4.893 4.740 0.001 0.000 0.281 545 N C 0.335 175.977 175.510 0.220 0.000 1.098 545 N CA -0.199 52.955 53.050 0.173 0.000 0.979 545 N CB 1.707 40.259 38.487 0.109 0.000 1.121 545 N HN 0.661 nan 8.380 nan 0.000 0.466 546 Q N 2.064 121.907 119.800 0.071 0.000 2.124 546 Q HA -0.080 4.260 4.340 0.001 0.000 0.202 546 Q C 0.213 176.061 176.000 -0.253 0.000 0.977 546 Q CA 1.190 56.826 55.803 -0.278 0.000 0.850 546 Q CB 0.145 28.744 28.738 -0.232 0.000 0.901 546 Q HN 0.757 nan 8.270 nan 0.000 0.429 547 I N -3.115 117.404 120.570 -0.084 0.000 2.892 547 I HA 0.465 4.635 4.170 0.001 0.000 0.306 547 I C -0.405 175.709 176.117 -0.005 0.000 1.078 547 I CA -1.189 60.076 61.300 -0.059 0.000 1.032 547 I CB 2.075 40.036 38.000 -0.064 0.000 1.229 547 I HN -0.239 nan 8.210 nan 0.000 0.435 548 S N 1.737 117.434 115.700 -0.006 0.000 2.549 548 S HA 0.201 4.671 4.470 0.001 0.000 0.279 548 S C 1.149 175.740 174.600 -0.015 0.000 1.321 548 S CA -0.000 58.199 58.200 -0.002 0.000 1.054 548 S CB 0.783 63.968 63.200 -0.025 0.000 0.899 548 S HN 0.796 nan 8.310 nan 0.000 0.497 549 S N 3.651 119.347 115.700 -0.007 0.000 2.368 549 S HA -0.093 4.378 4.470 0.001 0.000 0.224 549 S C 1.770 176.353 174.600 -0.029 0.000 1.029 549 S CA 1.148 59.340 58.200 -0.013 0.000 0.988 549 S CB -0.494 62.704 63.200 -0.003 0.000 0.838 549 S HN 0.883 nan 8.310 nan 0.000 0.462 550 S N -0.053 115.625 115.700 -0.037 0.000 2.524 550 S HA 0.308 4.778 4.470 0.001 0.000 0.222 550 S C 0.330 174.872 174.600 -0.096 0.000 1.040 550 S CA -0.437 57.732 58.200 -0.052 0.000 0.915 550 S CB -0.165 63.015 63.200 -0.034 0.000 0.831 550 S HN 0.206 nan 8.310 nan 0.000 0.492 551 V N 3.282 123.114 119.914 -0.136 0.000 2.406 551 V HA 0.316 4.436 4.120 0.001 0.000 0.272 551 V C 0.669 176.646 176.094 -0.195 0.000 1.043 551 V CA -0.350 61.798 62.300 -0.254 0.000 0.915 551 V CB 1.240 32.792 31.823 -0.452 0.000 0.988 551 V HN 0.372 nan 8.190 nan 0.000 0.466 552 K N 3.347 123.639 120.400 -0.180 0.000 2.426 552 K HA 0.222 4.543 4.320 0.001 0.000 0.193 552 K C 1.045 177.581 176.600 -0.108 0.000 1.028 552 K CA 0.462 56.673 56.287 -0.126 0.000 1.047 552 K CB 0.330 32.764 32.500 -0.110 0.000 0.821 552 K HN 0.715 nan 8.250 nan 0.000 0.513 553 A N 2.057 124.789 122.820 -0.145 0.000 3.026 553 A HA 0.049 4.369 4.320 0.001 0.000 0.272 553 A C 1.399 178.983 177.584 -0.000 0.000 1.782 553 A CA -0.162 51.849 52.037 -0.045 0.000 1.451 553 A CB -0.515 18.477 19.000 -0.014 0.000 1.081 553 A HN 0.291 nan 8.150 nan 0.000 0.611 554 S N 0.547 116.251 115.700 0.006 0.000 2.406 554 S HA -0.134 4.337 4.470 0.001 0.000 0.228 554 S C 1.782 176.402 174.600 0.033 0.000 1.020 554 S CA 1.507 59.712 58.200 0.009 0.000 0.965 554 S CB -0.360 62.839 63.200 -0.001 0.000 0.798 554 S HN 0.556 nan 8.310 nan 0.000 0.488 555 S N 2.064 117.810 115.700 0.077 0.000 2.399 555 S HA 0.119 4.589 4.470 0.001 0.000 0.231 555 S C 1.734 176.248 174.600 -0.143 0.000 1.022 555 S CA 1.306 59.536 58.200 0.051 0.000 0.983 555 S CB -0.488 62.857 63.200 0.241 0.000 0.803 555 S HN 0.545 nan 8.310 nan 0.000 0.480 556 I N 0.915 121.509 120.570 0.040 0.000 2.333 556 I HA -0.083 4.087 4.170 0.001 0.000 0.246 556 I C 2.134 178.305 176.117 0.089 0.000 1.106 556 I CA 0.688 62.040 61.300 0.085 0.000 1.411 556 I CB -0.454 37.754 38.000 0.348 0.000 1.082 556 I HN 0.129 nan 8.210 nan 0.000 0.420 557 V N 1.380 121.361 119.914 0.111 0.000 2.332 557 V HA -0.315 3.805 4.120 0.001 0.000 0.248 557 V C 2.767 178.917 176.094 0.092 0.000 1.055 557 V CA 2.088 64.456 62.300 0.113 0.000 1.038 557 V CB -1.073 30.785 31.823 0.057 0.000 0.651 557 V HN 0.496 nan 8.190 nan 0.000 0.450 558 A N -0.356 122.478 122.820 0.023 0.000 1.933 558 A HA -0.196 4.125 4.320 0.001 0.000 0.218 558 A C 2.470 180.068 177.584 0.022 0.000 1.175 558 A CA 2.185 54.233 52.037 0.019 0.000 0.628 558 A CB -0.620 18.364 19.000 -0.026 0.000 0.814 558 A HN 0.527 nan 8.150 nan 0.000 0.444 559 S N -0.074 115.575 115.700 -0.086 0.000 2.368 559 S HA -0.073 4.398 4.470 0.001 0.000 0.224 559 S C 1.801 176.526 174.600 0.208 0.000 1.029 559 S CA 1.323 59.529 58.200 0.009 0.000 0.988 559 S CB -0.445 62.633 63.200 -0.204 0.000 0.838 559 S HN 0.508 nan 8.310 nan 0.000 0.462 560 L N 0.056 121.381 121.223 0.171 0.000 2.042 560 L HA -0.132 4.208 4.340 0.001 0.000 0.210 560 L C 2.234 179.197 176.870 0.156 0.000 1.076 560 L CA 1.469 56.413 54.840 0.173 0.000 0.749 560 L CB -0.485 41.680 42.059 0.176 0.000 0.893 560 L HN 0.277 nan 8.230 nan 0.000 0.432 561 F N 0.496 120.486 119.950 0.066 0.000 2.075 561 F HA -0.231 4.296 4.527 0.001 0.000 0.297 561 F C 2.234 178.126 175.800 0.152 0.000 1.113 561 F CA 1.547 59.610 58.000 0.106 0.000 1.218 561 F CB -0.149 38.909 39.000 0.098 0.000 0.984 561 F HN -0.137 nan 8.300 nan 0.000 0.472 562 L N 0.372 121.707 121.223 0.185 0.000 2.079 562 L HA -0.262 4.078 4.340 0.001 0.000 0.210 562 L C 2.497 179.135 176.870 -0.387 0.000 1.081 562 L CA 1.816 56.637 54.840 -0.030 0.000 0.752 562 L CB -0.816 41.239 42.059 -0.007 0.000 0.896 562 L HN 0.159 nan 8.230 nan 0.000 0.433 563 K N 0.209 120.371 120.400 -0.396 0.000 2.211 563 K HA -0.186 4.135 4.320 0.001 0.000 0.204 563 K C 1.804 178.165 176.600 -0.398 0.000 1.047 563 K CA 1.107 57.086 56.287 -0.513 0.000 0.935 563 K CB 0.113 32.583 32.500 -0.049 0.000 0.728 563 K HN 0.242 nan 8.250 nan 0.000 0.452 564 E N -0.380 119.583 120.200 -0.395 0.000 2.472 564 E HA -0.146 4.204 4.350 0.001 0.000 0.200 564 E C 0.648 176.699 176.600 -0.915 0.000 1.046 564 E CA 0.823 56.846 56.400 -0.627 0.000 0.871 564 E CB 0.062 29.284 29.700 -0.797 0.000 0.806 564 E HN 0.403 nan 8.360 nan 0.000 0.533 565 F N -0.394 119.310 119.950 -0.410 0.000 2.661 565 F HA 0.139 4.667 4.527 0.001 0.000 0.306 565 F C 0.450 176.063 175.800 -0.311 0.000 1.094 565 F CA -0.188 57.617 58.000 -0.326 0.000 1.254 565 F CB 0.871 39.690 39.000 -0.302 0.000 1.040 565 F HN -0.310 nan 8.300 nan 0.000 0.562 566 V N 0.126 119.865 119.914 -0.293 0.000 2.409 566 V HA 0.182 4.302 4.120 0.001 0.000 0.291 566 V C 0.396 176.396 176.094 -0.157 0.000 1.020 566 V CA -0.228 61.936 62.300 -0.228 0.000 0.848 566 V CB 1.478 33.104 31.823 -0.327 0.000 0.990 566 V HN 0.054 nan 8.190 nan 0.000 0.430 567 Q N 2.615 122.358 119.800 -0.096 0.000 2.200 567 Q HA 0.108 4.448 4.340 0.001 0.000 0.197 567 Q C 1.130 177.109 176.000 -0.034 0.000 0.953 567 Q CA 1.174 56.930 55.803 -0.079 0.000 0.851 567 Q CB 0.060 28.757 28.738 -0.070 0.000 0.938 567 Q HN 0.849 nan 8.270 nan 0.000 0.488 568 N N -0.317 118.378 118.700 -0.008 0.000 2.550 568 N HA 0.136 4.877 4.740 0.001 0.000 0.277 568 N C -1.707 173.827 175.510 0.040 0.000 1.595 568 N CA 0.120 53.179 53.050 0.015 0.000 0.888 568 N CB 1.173 39.660 38.487 0.000 0.000 1.424 568 N HN 0.139 nan 8.380 nan 0.000 0.501 569 T N -0.213 114.385 114.554 0.074 0.000 2.912 569 T HA 0.657 5.008 4.350 0.001 0.000 0.299 569 T C -0.370 174.449 174.700 0.199 0.000 1.052 569 T CA -0.566 61.601 62.100 0.110 0.000 0.996 569 T CB 1.777 70.705 68.868 0.100 0.000 1.070 569 T HN 0.258 nan 8.240 nan 0.000 0.465 570 A N 2.470 125.422 122.820 0.221 0.000 2.548 570 A HA 0.428 4.748 4.320 0.001 0.000 0.247 570 A C -0.701 177.114 177.584 0.384 0.000 1.067 570 A CA 0.002 52.218 52.037 0.298 0.000 0.757 570 A CB -0.383 18.845 19.000 0.379 0.000 0.996 570 A HN 0.851 nan 8.150 nan 0.000 0.504 571 W N 2.543 123.919 121.300 0.127 0.000 2.998 571 W HA 0.618 5.279 4.660 0.001 0.000 0.335 571 W C -0.666 175.905 176.519 0.087 0.000 1.110 571 W CA -0.054 57.358 57.345 0.113 0.000 1.230 571 W CB 1.273 30.798 29.460 0.109 0.000 1.405 571 W HN 0.939 nan 8.180 nan 0.000 0.493 572 A N 3.726 126.127 122.820 -0.698 0.000 2.454 572 A HA 0.675 4.995 4.320 0.001 0.000 0.302 572 A C -2.185 174.930 177.584 -0.782 0.000 1.079 572 A CA -0.699 50.821 52.037 -0.861 0.000 0.731 572 A CB 1.579 20.286 19.000 -0.489 0.000 1.299 572 A HN 0.931 nan 8.150 nan 0.000 0.413 573 H N 0.772 119.444 119.070 -0.663 0.000 2.658 573 H HA 0.661 5.218 4.556 0.001 0.000 0.337 573 H C -1.640 173.696 175.328 0.013 0.000 1.009 573 H CA -0.655 55.268 56.048 -0.208 0.000 1.231 573 H CB 0.686 30.405 29.762 -0.072 0.000 1.508 573 H HN 0.464 nan 8.280 nan 0.000 0.517 574 I N 4.643 125.014 120.570 -0.332 0.000 2.328 574 I HA 0.145 4.315 4.170 0.001 0.000 0.287 574 I C -0.242 175.686 176.117 -0.316 0.000 1.012 574 I CA -0.611 60.539 61.300 -0.250 0.000 1.195 574 I CB 1.024 38.969 38.000 -0.092 0.000 1.350 574 I HN 0.595 nan 8.210 nan 0.000 0.464 575 D N 7.736 127.975 120.400 -0.268 0.000 2.339 575 D HA 0.220 4.861 4.640 0.001 0.000 0.241 575 D C 0.631 176.901 176.300 -0.050 0.000 1.183 575 D CA -0.248 53.692 54.000 -0.101 0.000 0.859 575 D CB 1.056 41.920 40.800 0.106 0.000 1.067 575 D HN 0.573 nan 8.370 nan 0.000 0.484 576 I N 0.918 121.440 120.570 -0.080 0.000 3.914 576 I HA 0.337 4.507 4.170 0.001 0.000 0.333 576 I C 1.601 177.669 176.117 -0.082 0.000 1.449 576 I CA -0.559 60.639 61.300 -0.170 0.000 1.135 576 I CB 0.542 38.426 38.000 -0.193 0.000 1.073 576 I HN 0.198 nan 8.210 nan 0.000 0.401 577 A N 2.016 124.844 122.820 0.013 0.000 1.948 577 A HA -0.096 4.224 4.320 0.001 0.000 0.220 577 A C 2.285 180.026 177.584 0.261 0.000 1.177 577 A CA 2.157 54.276 52.037 0.137 0.000 0.636 577 A CB -1.247 17.851 19.000 0.164 0.000 0.815 577 A HN 0.572 nan 8.150 nan 0.000 0.449 578 G N -1.116 107.783 108.800 0.165 0.000 2.539 578 G HA2 0.123 4.083 3.960 0.001 0.000 0.215 578 G HA3 0.123 4.083 3.960 0.001 0.000 0.215 578 G C 1.317 176.328 174.900 0.185 0.000 1.141 578 G CA 1.252 46.475 45.100 0.205 0.000 0.806 578 G HN 1.031 nan 8.290 nan 0.000 0.533 579 V N -2.135 117.781 119.914 0.003 0.000 3.644 579 V HA 0.226 4.346 4.120 0.001 0.000 0.267 579 V C 2.337 178.396 176.094 -0.058 0.000 1.277 579 V CA 1.346 63.579 62.300 -0.112 0.000 1.096 579 V CB 0.357 31.863 31.823 -0.528 0.000 0.828 579 V HN 0.233 nan 8.190 nan 0.000 0.446 580 S N -0.279 115.452 115.700 0.052 0.000 2.368 580 S HA -0.099 4.371 4.470 0.001 0.000 0.224 580 S C 0.670 175.404 174.600 0.223 0.000 1.029 580 S CA 0.524 58.815 58.200 0.151 0.000 0.988 580 S CB -0.205 63.081 63.200 0.143 0.000 0.838 580 S HN 0.808 nan 8.310 nan 0.000 0.462 581 W N 2.829 124.099 121.300 -0.051 0.000 2.433 581 W HA 0.432 5.092 4.660 0.001 0.000 0.315 581 W C -0.613 175.598 176.519 -0.513 0.000 1.087 581 W CA -0.915 56.231 57.345 -0.331 0.000 1.205 581 W CB 0.843 29.862 29.460 -0.735 0.000 1.288 581 W HN 0.158 nan 8.180 nan 0.000 0.504 582 N N 5.579 123.811 118.700 -0.779 0.000 2.555 582 N HA 0.051 4.791 4.740 0.001 0.000 0.244 582 N C 0.645 175.893 175.510 -0.437 0.000 1.114 582 N CA -0.087 52.697 53.050 -0.444 0.000 0.963 582 N CB -0.302 38.009 38.487 -0.292 0.000 1.276 582 N HN 0.308 nan 8.380 nan 0.000 0.510 583 F N 1.420 121.404 119.950 0.058 0.000 2.161 583 F HA -0.240 4.287 4.527 0.001 0.000 0.300 583 F C 2.257 178.109 175.800 0.086 0.000 1.089 583 F CA 1.008 59.127 58.000 0.197 0.000 1.282 583 F CB -0.031 39.078 39.000 0.181 0.000 1.010 583 F HN 0.314 nan 8.300 nan 0.000 0.485 584 K N -0.055 120.467 120.400 0.203 0.000 2.031 584 K HA 0.105 4.426 4.320 0.001 0.000 0.205 584 K C 2.203 178.841 176.600 0.063 0.000 1.049 584 K CA 0.882 57.242 56.287 0.122 0.000 0.939 584 K CB -1.311 31.244 32.500 0.092 0.000 0.717 584 K HN 0.350 nan 8.250 nan 0.000 0.438 585 A N 0.285 123.105 122.820 0.001 0.000 2.208 585 A HA 0.117 4.437 4.320 0.001 0.000 0.209 585 A C 0.647 178.188 177.584 -0.071 0.000 1.161 585 A CA 0.419 52.435 52.037 -0.034 0.000 0.782 585 A CB -0.461 18.509 19.000 -0.050 0.000 0.816 585 A HN 0.520 nan 8.150 nan 0.000 0.477 586 R N -1.076 119.380 120.500 -0.073 0.000 3.422 586 R HA -0.189 4.151 4.340 0.001 0.000 0.267 586 R C -0.444 175.703 176.300 -0.255 0.000 1.074 586 R CA 1.381 57.493 56.100 0.019 0.000 0.718 586 R CB -2.233 28.156 30.300 0.148 0.000 1.157 586 R HN 0.854 nan 8.270 nan 0.000 0.440 587 K N -2.114 117.746 120.400 -0.900 0.000 2.556 587 K HA 0.602 4.922 4.320 0.001 0.000 0.274 587 K C -3.250 172.512 176.600 -1.397 0.000 0.966 587 K CA -2.373 53.306 56.287 -1.012 0.000 0.865 587 K CB 2.560 34.838 32.500 -0.372 0.000 1.444 587 K HN -0.301 nan 8.250 nan 0.000 0.433 588 P HA 0.125 nan 4.420 nan 0.000 0.272 588 P C -0.405 176.830 177.300 -0.108 0.000 1.230 588 P CA -0.486 62.411 63.100 -0.339 0.000 0.788 588 P CB 0.608 32.309 31.700 0.001 0.000 0.949 589 K N 0.901 121.286 120.400 -0.025 0.000 2.314 589 K HA 0.111 4.432 4.320 0.001 0.000 0.198 589 K C 1.098 177.641 176.600 -0.095 0.000 1.045 589 K CA 0.685 56.974 56.287 0.003 0.000 0.988 589 K CB -0.409 32.142 32.500 0.084 0.000 0.783 589 K HN 0.828 nan 8.250 nan 0.000 0.484 590 G N 2.532 111.330 108.800 -0.003 0.000 2.273 590 G HA2 -0.295 3.665 3.960 0.001 0.000 0.280 590 G HA3 -0.295 3.665 3.960 0.001 0.000 0.280 590 G C -0.143 174.738 174.900 -0.031 0.000 1.047 590 G CA -0.130 44.943 45.100 -0.046 0.000 0.869 590 G HN 0.371 nan 8.290 nan 0.000 0.502 591 F N 0.532 120.436 119.950 -0.076 0.000 2.578 591 F HA 0.403 4.930 4.527 0.001 0.000 0.376 591 F C 1.509 177.278 175.800 -0.053 0.000 1.085 591 F CA 1.640 59.605 58.000 -0.057 0.000 1.260 591 F CB 0.602 39.591 39.000 -0.017 0.000 1.095 591 F HN 0.923 nan 8.300 nan 0.000 0.573 592 G N 3.344 111.871 108.800 -0.455 0.000 2.238 592 G HA2 -0.284 3.676 3.960 0.001 0.000 0.217 592 G HA3 -0.284 3.676 3.960 0.001 0.000 0.217 592 G C 0.721 175.520 174.900 -0.168 0.000 0.996 592 G CA 0.028 44.994 45.100 -0.222 0.000 0.632 592 G HN 0.654 nan 8.290 nan 0.000 0.503 593 V N 1.066 120.878 119.914 -0.169 0.000 2.295 593 V HA -0.157 3.963 4.120 0.001 0.000 0.246 593 V C 2.854 178.794 176.094 -0.257 0.000 1.049 593 V CA 2.839 65.047 62.300 -0.153 0.000 1.024 593 V CB -0.511 31.226 31.823 -0.143 0.000 0.648 593 V HN 0.488 nan 8.190 nan 0.000 0.447 594 R N -0.792 119.508 120.500 -0.334 0.000 2.093 594 R HA -0.030 4.311 4.340 0.001 0.000 0.224 594 R C 2.194 178.348 176.300 -0.244 0.000 1.101 594 R CA 0.976 56.815 56.100 -0.436 0.000 0.979 594 R CB -0.494 29.643 30.300 -0.271 0.000 0.877 594 R HN 0.372 nan 8.270 nan 0.000 0.441 595 L N 1.338 122.428 121.223 -0.222 0.000 1.971 595 L HA -0.200 4.140 4.340 0.001 0.000 0.215 595 L C 1.899 178.743 176.870 -0.044 0.000 1.072 595 L CA 1.839 56.591 54.840 -0.146 0.000 0.758 595 L CB -0.498 41.430 42.059 -0.219 0.000 0.889 595 L HN 0.140 nan 8.230 nan 0.000 0.433 596 L N -1.432 119.766 121.223 -0.041 0.000 2.093 596 L HA -0.182 4.158 4.340 0.001 0.000 0.208 596 L C 2.328 179.274 176.870 0.126 0.000 1.085 596 L CA 1.565 56.449 54.840 0.073 0.000 0.755 596 L CB -1.016 41.084 42.059 0.068 0.000 0.904 596 L HN 0.321 nan 8.230 nan 0.000 0.435 597 T N -0.979 113.576 114.554 0.003 0.000 2.737 597 T HA -0.143 4.208 4.350 0.001 0.000 0.265 597 T C 1.796 176.541 174.700 0.074 0.000 1.038 597 T CA 1.049 63.147 62.100 -0.003 0.000 1.144 597 T CB -0.097 68.645 68.868 -0.209 0.000 0.866 597 T HN 0.276 nan 8.240 nan 0.000 0.434 598 E N 0.599 120.851 120.200 0.087 0.000 2.110 598 E HA -0.082 4.269 4.350 0.001 0.000 0.193 598 E C 1.886 178.553 176.600 0.111 0.000 0.988 598 E CA 0.707 57.187 56.400 0.133 0.000 0.804 598 E CB -0.400 29.376 29.700 0.126 0.000 0.745 598 E HN 0.513 nan 8.360 nan 0.000 0.458 599 F N 1.625 121.561 119.950 -0.024 0.000 2.069 599 F HA -0.234 4.294 4.527 0.001 0.000 0.298 599 F C 2.241 178.034 175.800 -0.012 0.000 1.113 599 F CA 1.194 59.168 58.000 -0.043 0.000 1.214 599 F CB -0.493 38.465 39.000 -0.070 0.000 0.978 599 F HN -0.216 nan 8.300 nan 0.000 0.474 600 V N 0.226 120.063 119.914 -0.129 0.000 2.295 600 V HA -0.289 3.831 4.120 0.001 0.000 0.246 600 V C 2.444 178.456 176.094 -0.135 0.000 1.049 600 V CA 1.653 63.837 62.300 -0.193 0.000 1.024 600 V CB -0.802 31.010 31.823 -0.019 0.000 0.648 600 V HN 0.301 nan 8.190 nan 0.000 0.447 601 L N 1.062 122.260 121.223 -0.043 0.000 2.017 601 L HA -0.127 4.213 4.340 0.001 0.000 0.208 601 L C 2.684 179.531 176.870 -0.038 0.000 1.073 601 L CA 2.425 57.257 54.840 -0.013 0.000 0.745 601 L CB -1.850 40.240 42.059 0.051 0.000 0.894 601 L HN 0.559 nan 8.230 nan 0.000 0.432 602 N N -0.796 117.873 118.700 -0.052 0.000 2.069 602 N HA -0.176 4.565 4.740 0.001 0.000 0.191 602 N C 1.141 176.595 175.510 -0.093 0.000 1.031 602 N CA 1.652 54.668 53.050 -0.057 0.000 0.852 602 N CB -0.844 37.617 38.487 -0.043 0.000 1.018 602 N HN 0.457 nan 8.380 nan 0.000 0.423 603 D N 0.000 120.289 120.400 -0.184 0.000 6.856 603 D HA 0.000 4.640 4.640 0.001 0.000 0.175 603 D CA 0.000 53.902 54.000 -0.164 0.000 0.868 603 D CB 0.000 40.623 40.800 -0.295 0.000 0.688 603 D HN 0.000 nan 8.370 nan 0.000 0.683